| 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 | 63.7 | Low | 91.7 | Very high | 150 Ų | 150 | 92.3 Ų | 92.3 | 74% | 0.739 | 52% | 0.519 | S | S | * | . | 0 | 104 | 0 | -57.4 | -169.4 | -154.8 | 0 | 0 | 111 | R25 D302 E306 | M1-R25 VanDerWaalsContact CB-NH2 3.29Å; M1-R25 PolarHBondContact O-NH2 3.16Å; M1-D302 CarbonylContact C-O 3.26Å; M1-D302 VanDerWaalsContact C-O 3.26Å; M1-E306 WeakPolarHBondContact CA-OE1 3.47Å; M1-E306 WeakPolarHBondContact CA-OE2 3.37Å; M1-E306 HydrophobicContact CB-CG 4.36Å; M1-E306 HydrophobicContact CG-CG 4.36Å; M1-E306 WeakPolarHBondContact CG-OE2 3.31Å; M1-E306 PolarHBondContact N-OE1 2.61Å; M1-E306 PolarHBondContact N-OE2 3.27Å; M1-E306 VanDerWaalsContact N-OE2 3.07Å | |||
| 2 | T | 91 | Very high | 91.9 | Very high | 47 Ų | 47 | 94.4 Ų | 94.4 | 29% | 0.288 | 56% | 0.557 | S | S | . | * | trans | -37.4 | 141.2 | 168.5 | -40.3 | 0 | 0 | 0 | 0 | 111.9 | T4 D302 D303 D304 E306 | T2-T4 PolarHBondContact O-N 2.94Å; T2-D302 VanDerWaalsContact CA-O 3.28Å; T2-D302 WeakPolarHBondContact CA-O 3.41Å; T2-D302 PolarHBondContact N-O 3.47Å; T2-D303 WeakPolarHBondContact CG2-OD1 3.3Å; T2-D304 PolarHBondContact OG1-O 3.38Å; T2-E306 PolarHBondContact N-OE1 3.13Å | ||
| 3 | V | 94.9 | Very high | 91.9 | Very high | 27 Ų | 27 | 101.5 Ų | 101.5 | 16% | 0.164 | 57% | 0.568 | C | S | . | * | trans | -89.2 | 96.1 | -171.7 | -175.3 | 0 | 0 | 0 | 0 | 110.9 | R25 D302 D303 | V3-R25 HydrophobicContact CG2-CG 4.03Å; V3-D302 HydrophobicContact CG2-CB 4.21Å; V3-D303 WeakPolarHBondContact CB-OD1 3.32Å; V3-D303 PolarHBondContact N-OD1 3.2Å | ||
| 4 | T | 96.4 | Very high | 92 | Very high | 118 Ų | 118 | 109.6 Ų | 109.6 | 72% | 0.724 | 60% | 0.595 | S | S | * | * | trans | -86.9 | 116.6 | 176.1 | -54.5 | 0 | 0 | 0 | 0 | 111.7 | T2 | T2-T4 PolarHBondContact O-N 2.94Š| ||
| 5 | Y | 96.2 | Very high | 91.9 | Very high | 110 Ų | 110 | 103.6 Ų | 103.6 | 43% | 0.431 | 57% | 0.568 | S | S | . | * | trans | -123.1 | 10.6 | 175.8 | 62 | -88.4 | 0 | 0 | 0 | 114.2 | A7 R8 V9 L20 | Y5-A7 VanDerWaalsContact C-N 3.3Å; Y5-A7 PolarHBondContact O-N 2.81Å; Y5-R8 WeakPolarHBondContact O-CB 3.38Å; Y5-R8 PolarHBondContact O-N 2.84Å; Y5-V9 HydrophobicContact CD2-CG1 4.22Å; Y5-V9 HydrophobicContact CD2-CG2 4.09Å; Y5-V9 HydrophobicContact CE2-CG2 4.29Å; Y5-L20 HydrophobicContact CD2-CD1 4.25Å; Y5-L20 HydrophobicContact CD2-CD2 4.21Å; Y5-L20 HydrophobicContact CE2-CD1 4.19Å | ||
| 6 | T | 96.3 | Very high | 92 | Very high | 102 Ų | 102 | 98.2 Ų | 98.2 | 63% | 0.626 | 54% | 0.544 | S | S | * | . | G | 310 helix | trans | -49.4 | -44.7 | -176.9 | -48.9 | 0 | 0 | 0 | 0 | 113.5 | R8 V9 A10 | T6-R8 VanDerWaalsContact C-N 3.26Å; T6-R8 PolarHBondContact O-N 3.1Å; T6-V9 WeakPolarHBondContact O-CG2 3.5Å; T6-V9 PolarHBondContact O-N 2.89Å; T6-A10 PolarHBondContact O-N 2.84Å |
| 7 | A | 95 | Very high | 92.1 | Very high | 93 Ų | 93 | 101.6 Ų | 101.6 | 77% | 0.769 | 55% | 0.552 | S | S | * | * | G | 310 helix | trans | -63.3 | -29.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y5 V9 | Y5-A7 VanDerWaalsContact C-N 3.3Å; Y5-A7 PolarHBondContact O-N 2.81Å; A7-V9 VanDerWaalsContact C-N 3.32Å |
| 8 | R | 93.7 | Very high | 92.3 | Very high | 154 Ų | 154 | 100.4 Ų | 100.4 | 58% | 0.581 | 55% | 0.553 | S | S | * | * | G | 310 helix | trans | -74.4 | -24.5 | -179.9 | -60.5 | -173.8 | -178.9 | -156.3 | 0.6 | 112.5 | Y5 T6 | Y5-R8 WeakPolarHBondContact O-CB 3.38Å; Y5-R8 PolarHBondContact O-N 2.84Å; T6-R8 VanDerWaalsContact C-N 3.26Å; T6-R8 PolarHBondContact O-N 3.1Å |
| 9 | V | 94.8 | Very high | 92.3 | Very high | 45 Ų | 45 | 101.6 Ų | 101.6 | 27% | 0.273 | 55% | 0.554 | S | S | . | * | G | 310 helix | trans | -112 | 15.1 | -177.7 | -63.3 | 0 | 0 | 0 | 0 | 113 | Y5 T6 A7 N11 F17 L20 | Y5-V9 HydrophobicContact CD2-CG1 4.22Å; Y5-V9 HydrophobicContact CD2-CG2 4.09Å; Y5-V9 HydrophobicContact CE2-CG2 4.29Å; T6-V9 WeakPolarHBondContact O-CG2 3.5Å; T6-V9 PolarHBondContact O-N 2.89Å; A7-V9 VanDerWaalsContact C-N 3.32Å; V9-N11 PolarHBondContact O-N 2.79Å; V9-F17 HydrophobicContact CB-CE1 4.34Å; V9-F17 HydrophobicContact CG1-CD1 4.01Å; V9-F17 HydrophobicContact CG1-CE1 3.83Å; V9-L20 HydrophobicContact CG1-CD1 3.92Å; V9-L20 HydrophobicContact CG1-CD2 4.32Å; V9-L20 HydrophobicContact CG1-CG 4.48Å |
| 10 | A | 94.6 | Very high | 92.5 | Very high | 71 Ų | 71 | 98.6 Ų | 98.6 | 59% | 0.587 | 54% | 0.537 | S | S | * | . | S | Bend | trans | -61 | -27.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | T6 | T6-A10 PolarHBondContact O-N 2.84Š|
| 11 | N | 92.8 | Very high | 92.7 | Very high | 98 Ų | 98 | 99 Ų | 99 | 52% | 0.524 | 54% | 0.538 | S | S | . | . | S | Bend | trans | -126.7 | 139 | 178.2 | -66.5 | -63.7 | 0 | 0 | 0 | 110.7 | V9 R13 | V9-N11 PolarHBondContact O-N 2.79Å; N11-R13 HydrophobicContact CB-CG 4.11Å; N11-R13 PolarHBondContact O-N 2.9Å |
| 12 | A | 94.2 | Very high | 94.2 | Very high | 118 Ų | 118 | 99.2 Ų | 99.2 | 98% | 0.975 | 54% | 0.541 | S | S | * | . | trans | -73.8 | 95.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 13 | R | 91.9 | Very high | 94.5 | Very high | 186 Ų | 186 | 98.9 Ų | 98.9 | 70% | 0.702 | 54% | 0.538 | S | S | * | . | trans | -114.6 | 160.1 | 178.5 | -63 | -178.5 | -179.1 | 178 | 1.1 | 111.3 | N11 G15 G16 | N11-R13 HydrophobicContact CB-CG 4.11Å; N11-R13 PolarHBondContact O-N 2.9Å; R13-G15 PolarHBondContact O-N 3Å; R13-G16 PolarHBondContact O-N 3.16Å | ||
| 14 | F | 92.6 | Very high | 94.6 | Very high | 216 Ų | 216 | 104.8 Ų | 104.8 | 95% | 0.947 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.2 | 129 | 169.7 | 179.5 | -102.8 | 0 | 0 | 0 | 110.1 | G16 | F14-G16 VanDerWaalsContact C-N 3.3Å; F14-G16 PolarHBondContact O-N 3.15Å |
| 15 | G | 91 | Very high | 94.5 | Very high | 19 Ų | 19 | 105.1 Ų | 105.1 | 20% | 0.196 | 55% | 0.545 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 72.7 | 13.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | R13 F17 S18 Q19 | R13-G15 PolarHBondContact O-N 3Å; G15-F17 PolarHBondContact O-N 3.21Å; G15-S18 PolarHBondContact O-N 3.5Å; G15-Q19 WeakPolarHBondContact O-CG 3.42Å; G15-Q19 PolarHBondContact O-N 3.34Å |
| 16 | G | 92.5 | Very high | 94.4 | Very high | 17 Ų | 17 | 101 Ų | 101 | 18% | 0.175 | 54% | 0.535 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53 | -56.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | R13 F14 | R13-G16 PolarHBondContact O-N 3.16Å; F14-G16 VanDerWaalsContact C-N 3.3Å; F14-G16 PolarHBondContact O-N 3.15Å |
| 17 | F | 94.6 | Very high | 94.4 | Very high | 157 Ų | 157 | 96.7 Ų | 96.7 | 69% | 0.689 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -25.3 | 176.1 | -71 | -6.4 | 0 | 0 | 0 | 113.5 | V9 G15 Q19 L20 | V9-F17 HydrophobicContact CB-CE1 4.34Å; V9-F17 HydrophobicContact CG1-CD1 4.01Å; V9-F17 HydrophobicContact CG1-CE1 3.83Å; G15-F17 PolarHBondContact O-N 3.21Å; F17-Q19 PolarHBondContact O-N 3.32Å; F17-L20 HydrophobicContact CD1-CD1 3.79Å; F17-L20 HydrophobicContact CE1-CD1 4.39Å; F17-L20 HydrophobicContact CG-CD1 4.4Å; F17-L20 VanDerWaalsContact O-CB 3.3Å; F17-L20 WeakPolarHBondContact O-CB 3.49Å; F17-L20 PolarHBondContact O-N 3.37Å |
| 18 | S | 94.9 | Very high | 94.5 | Very high | 80 Ų | 80 | 95.1 Ų | 95.1 | 56% | 0.559 | 49% | 0.488 | S | S | * | . | G | 310 helix | trans | -60.4 | -35.5 | 176.3 | -49.9 | 0 | 0 | 0 | 0 | 111.8 | G15 L20 L21 | G15-S18 PolarHBondContact O-N 3.5Å; S18-L20 PolarHBondContact O-N 3.2Å; S18-L21 WeakPolarHBondContact O-CB 3.19Å; S18-L21 PolarHBondContact O-N 2.9Å |
| 19 | Q | 93.3 | Very high | 94.7 | Very high | 122 Ų | 122 | 91.3 Ų | 91.3 | 57% | 0.57 | 47% | 0.474 | S | S | * | . | G | 310 helix | trans | -65.1 | -25.2 | 173.9 | -70.9 | 176 | 7.6 | 0 | 0 | 113.1 | G15 F17 L21 L22 | G15-Q19 WeakPolarHBondContact O-CG 3.42Å; G15-Q19 PolarHBondContact O-N 3.34Å; F17-Q19 PolarHBondContact O-N 3.32Å; Q19-L21 VanDerWaalsContact C-N 3.29Å; Q19-L21 PolarHBondContact O-N 2.94Å; Q19-L22 PolarHBondContact O-N 2.83Å |
| 20 | L | 95.8 | Very high | 94.8 | Very high | 42 Ų | 42 | 93 Ų | 93 | 22% | 0.22 | 48% | 0.477 | C | S | . | . | G | 310 helix | trans | -70.3 | -27.8 | 179.7 | -57.6 | -178.9 | 0 | 0 | 0 | 112.5 | Y5 V9 F17 S18 L22 L23 | Y5-L20 HydrophobicContact CD2-CD1 4.25Å; Y5-L20 HydrophobicContact CD2-CD2 4.21Å; Y5-L20 HydrophobicContact CE2-CD1 4.19Å; V9-L20 HydrophobicContact CG1-CD1 3.92Å; V9-L20 HydrophobicContact CG1-CD2 4.32Å; V9-L20 HydrophobicContact CG1-CG 4.48Å; F17-L20 HydrophobicContact CD1-CD1 3.79Å; F17-L20 HydrophobicContact CE1-CD1 4.39Å; F17-L20 HydrophobicContact CG-CD1 4.4Å; F17-L20 VanDerWaalsContact O-CB 3.3Å; F17-L20 WeakPolarHBondContact O-CB 3.49Å; F17-L20 PolarHBondContact O-N 3.37Å; S18-L20 PolarHBondContact O-N 3.2Å; L20-L22 PolarHBondContact O-N 3.35Å; L20-L22 VanDerWaalsContact O-N 3.12Å; L20-L23 HydrophobicContact CB-CD1 4.4Å; L20-L23 HydrophobicContact CD2-CD1 4.06Å; L20-L23 WeakPolarHBondContact O-CD1 3.25Å; L20-L23 PolarHBondContact O-N 2.73Å; L20-L23 VanDerWaalsContact O-N 3.15Å |
| 21 | L | 96.1 | Very high | 94.8 | Very high | 107 Ų | 107 | 91.6 Ų | 91.6 | 56% | 0.56 | 46% | 0.46 | S | S | * | . | G | 310 helix | trans | -66.6 | -9.4 | 176.5 | -58.7 | 177.6 | 0 | 0 | 0 | 113.3 | S18 Q19 Y29 | S18-L21 WeakPolarHBondContact O-CB 3.19Å; S18-L21 PolarHBondContact O-N 2.9Å; Q19-L21 VanDerWaalsContact C-N 3.29Å; Q19-L21 PolarHBondContact O-N 2.94Å; L21-Y29 WeakPolarHBondContact O-CE2 3.41Å; L21-Y29 PolarHBondContact O-OH 3.43Å; L21-Y29 VanDerWaalsContact O-OH 3.07Å |
| 22 | L | 96.2 | Very high | 95 | Very high | 154 Ų | 154 | 87 Ų | 87 | 81% | 0.806 | 44% | 0.435 | S | S | * | . | G | 310 helix | trans | -96.1 | -4.3 | 177.3 | -60 | 176.3 | 0 | 0 | 0 | 113 | Q19 L20 | Q19-L22 PolarHBondContact O-N 2.83Å; L20-L22 PolarHBondContact O-N 3.35Å; L20-L22 VanDerWaalsContact O-N 3.12Å |
| 23 | L | 96.4 | Very high | 95.2 | Very high | 40 Ų | 40 | 86.8 Ų | 86.8 | 21% | 0.209 | 41% | 0.409 | C | S | . | . | trans | -81 | 142 | 176.7 | -74.3 | 96.5 | 0 | 0 | 0 | 111.3 | L20 S27 | L20-L23 HydrophobicContact CB-CD1 4.4Å; L20-L23 HydrophobicContact CD2-CD1 4.06Å; L20-L23 WeakPolarHBondContact O-CD1 3.25Å; L20-L23 PolarHBondContact O-N 2.73Å; L20-L23 VanDerWaalsContact O-N 3.15Å; L23-S27 WeakPolarHBondContact O-CB 3.18Å; L23-S27 PolarHBondContact O-OG 2.93Å | ||
| 24 | W | 96.7 | Very high | 95.4 | Very high | 152 Ų | 152 | 86.1 Ų | 86.1 | 58% | 0.576 | 41% | 0.407 | S | S | * | . | trans | -99.8 | -42.4 | 178.5 | 179.2 | -106.6 | 0 | 0 | 0 | 113.8 | G26 S27 K30 | W24-G26 PolarHBondContact O-N 3.08Å; W24-S27 WeakPolarHBondContact O-CB 3.31Å; W24-S27 PolarHBondContact O-N 2.77Å; W24-S27 PolarHBondContact O-OG 2.89Å; W24-K30 HydrophobicContact CD2-CB 4.46Å; W24-K30 HydrophobicContact CH2-CB 4.45Å; W24-K30 HydrophobicContact CZ2-CB 4.09Å; W24-K30 HydrophobicContact CZ2-CG 4.22Å | ||
| 25 | R | 95.6 | Very high | 95.7 | Very high | 125 Ų | 125 | 79 Ų | 79 | 47% | 0.472 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | 129.7 | -176.9 | -174 | -177 | 174.2 | 155.5 | 6.1 | 110.7 | M1 V3 S27 D302 | M1-R25 VanDerWaalsContact CB-NH2 3.29Å; M1-R25 PolarHBondContact O-NH2 3.16Å; V3-R25 HydrophobicContact CG2-CG 4.03Å; R25-S27 PolarHBondContact O-N 2.91Å; R25-D302 HydrophobicContact CG-CB 4.21Å; R25-D302 WeakPolarHBondContact CG-OD2 3.45Å |
| 26 | G | 93.6 | Very high | 95.9 | Very high | 22 Ų | 22 | 79.7 Ų | 79.7 | 23% | 0.227 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 58.7 | 20.7 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | W24 D302 | W24-G26 PolarHBondContact O-N 3.08Å; G26-D302 PolarHBondContact N-OD2 2.69Å |
| 27 | S | 96.8 | Very high | 96.2 | Very high | 12 Ų | 12 | 84 Ų | 84 | 8% | 0.084 | 39% | 0.394 | C | S | . | . | trans | -88.4 | 157.7 | -176.3 | 74.2 | 0 | 0 | 0 | 0 | 112.6 | L23 W24 R25 Y29 K30 L31 | L23-S27 WeakPolarHBondContact O-CB 3.18Å; L23-S27 PolarHBondContact O-OG 2.93Å; W24-S27 WeakPolarHBondContact O-CB 3.31Å; W24-S27 PolarHBondContact O-N 2.77Å; W24-S27 PolarHBondContact O-OG 2.89Å; R25-S27 PolarHBondContact O-N 2.91Å; S27-Y29 PolarHBondContact O-N 2.98Å; S27-Y29 PolarHBondContact OG-N 3.36Å; S27-K30 PolarHBondContact O-N 2.76Å; S27-K30 VanDerWaalsContact O-N 3.15Å; S27-K30 PolarHBondContact OG-N 2.98Å; S27-L31 PolarHBondContact O-N 2.64Å | ||
| 28 | I | 96.8 | Very high | 96.3 | Very high | 60 Ų | 60 | 80.1 Ų | 80.1 | 31% | 0.308 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -53.9 | -34 | 170.1 | -170.3 | 167.9 | 0 | 0 | 0 | 112.7 | L31 L32 F282 | I28-L31 PolarHBondContact O-N 2.71Å; I28-L32 HydrophobicContact CD1-CD1 4.04Å; I28-L32 HydrophobicContact CG1-CD1 3.59Å; I28-L32 HydrophobicContact CG1-CG 4.21Å; I28-L32 WeakPolarHBondContact O-CB 3.39Å; I28-L32 PolarHBondContact O-N 3.09Å; I28-F282 HydrophobicContact CD1-CD1 4.4Å; I28-F282 WeakPolarHBondContact CD1-O 3.22Å; I28-F282 HydrophobicContact CG1-CD1 4.44Å |
| 29 | Y | 96.7 | Very high | 96.5 | Very high | 74 Ų | 74 | 77 Ų | 77 | 29% | 0.29 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -67.9 | -41.9 | -179.8 | -44.7 | -69.5 | 0 | 0 | 0 | 111.6 | L21 S27 L31 L32 W33 F282 | L21-Y29 WeakPolarHBondContact O-CE2 3.41Å; L21-Y29 PolarHBondContact O-OH 3.43Å; L21-Y29 VanDerWaalsContact O-OH 3.07Å; S27-Y29 PolarHBondContact O-N 2.98Å; S27-Y29 PolarHBondContact OG-N 3.36Å; Y29-L31 VanDerWaalsContact C-N 3.26Å; Y29-L31 PolarHBondContact O-N 3.18Å; Y29-L32 PolarHBondContact O-N 3.5Å; Y29-W33 WeakPolarHBondContact O-CB 3.33Å; Y29-W33 PolarHBondContact O-N 3.23Å; Y29-W33 VanDerWaalsContact O-N 3.12Å; Y29-F282 AromaticContact CD1-CE1 3.96Å; Y29-F282 HydrophobicContact CD1-CE1 3.96Å; Y29-F282 HydrophobicContact CD1-CZ 4.45Å; Y29-F282 HydrophobicContact CE1-CE1 4.34Å |
| 30 | K | 96.9 | Very high | 96.7 | Very high | 80 Ų | 80 | 73.7 Ų | 73.7 | 35% | 0.348 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -65.4 | -31.8 | 177.3 | -173.8 | 176.8 | 172.9 | -177.4 | 0 | 111.7 | W24 S27 W33 D302 | W24-K30 HydrophobicContact CD2-CB 4.46Å; W24-K30 HydrophobicContact CH2-CB 4.45Å; W24-K30 HydrophobicContact CZ2-CB 4.09Å; W24-K30 HydrophobicContact CZ2-CG 4.22Å; S27-K30 PolarHBondContact O-N 2.76Å; S27-K30 VanDerWaalsContact O-N 3.15Å; S27-K30 PolarHBondContact OG-N 2.98Å; K30-W33 PolarHBondContact O-NE1 3.21Å; K30-D302 WeakPolarHBondContact CD-OD2 3.49Å; K30-D302 WeakPolarHBondContact CE-OD2 3.46Å; K30-D302 IonicContact NZ-OD1 3.22Å; K30-D302 PolarHBondContact NZ-OD1 3.21Å; K30-D302 IonicContact NZ-OD2 2.84Å; K30-D302 PolarHBondContact NZ-OD2 2.94Å |
| 31 | L | 95.9 | Very high | 96.8 | Very high | 43 Ų | 43 | 73.7 Ų | 73.7 | 23% | 0.225 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -82.1 | -29.3 | 179.6 | -62.7 | 176.8 | 0 | 0 | 0 | 114.1 | S27 I28 Y29 K289 | S27-L31 PolarHBondContact O-N 2.64Å; I28-L31 PolarHBondContact O-N 2.71Å; Y29-L31 VanDerWaalsContact C-N 3.26Å; Y29-L31 PolarHBondContact O-N 3.18Å; L31-K289 HydrophobicContact CB-CB 4.34Å; L31-K289 HydrophobicContact CB-CD 4.43Å; L31-K289 HydrophobicContact CB-CG 4.23Å; L31-K289 HydrophobicContact CD1-CB 4.25Å; L31-K289 WeakPolarHBondContact O-CE 3.45Å |
| 32 | L | 97.1 | Very high | 96.9 | Very high | 1 Ų | 1 | 73 Ų | 73 | 1% | 0.005 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -107.7 | -12.4 | -171.7 | -73.4 | -179.2 | 0 | 0 | 0 | 115.9 | I28 Y29 R34 E35 L36 F281 F282 A285 K289 | I28-L32 HydrophobicContact CD1-CD1 4.04Å; I28-L32 HydrophobicContact CG1-CD1 3.59Å; I28-L32 HydrophobicContact CG1-CG 4.21Å; I28-L32 WeakPolarHBondContact O-CB 3.39Å; I28-L32 PolarHBondContact O-N 3.09Å; Y29-L32 PolarHBondContact O-N 3.5Å; L32-R34 PolarHBondContact O-N 3.12Å; L32-R34 VanDerWaalsContact O-N 3.11Å; L32-E35 PolarHBondContact O-N 2.91Å; L32-L36 VanDerWaalsContact O-CB 3.27Å; L32-L36 WeakPolarHBondContact O-CB 3.45Å; L32-L36 PolarHBondContact O-N 2.99Å; L32-F281 HydrophobicContact CD2-CE1 4.44Å; L32-F282 HydrophobicContact CD1-CD1 3.81Å; L32-F282 HydrophobicContact CD1-CE1 4.37Å; L32-A285 HydrophobicContact CD2-CB 3.78Å; L32-K289 HydrophobicContact CD2-CD 4.37Å; L32-K289 HydrophobicContact CD2-CG 3.45Å; L32-K289 VanDerWaalsContact CD2-CG 3.45Å; L32-K289 HydrophobicContact CG-CG 4.11Å |
| 33 | W | 97.3 | Very high | 97 | Very high | 113 Ų | 113 | 65.7 Ų | 65.7 | 43% | 0.428 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -58.2 | -32.7 | -168.8 | 69.6 | -86.7 | 0 | 0 | 0 | 113.4 | Y29 K30 L37 | Y29-W33 WeakPolarHBondContact O-CB 3.33Å; Y29-W33 PolarHBondContact O-N 3.23Å; Y29-W33 VanDerWaalsContact O-N 3.12Å; K30-W33 PolarHBondContact O-NE1 3.21Å; W33-L37 HydrophobicContact CE3-CD1 3.73Å; W33-L37 HydrophobicContact CZ3-CD1 3.96Å; W33-L37 WeakPolarHBondContact O-CB 3.5Å; W33-L37 VanDerWaalsContact O-CG 3.24Å; W33-L37 WeakPolarHBondContact O-CG 3.37Å; W33-L37 PolarHBondContact O-N 3.35Å |
| 34 | R | 97.6 | Very high | 97 | Very high | 173 Ų | 173 | 67.6 Ų | 67.6 | 65% | 0.653 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -70.1 | -49.5 | 178.8 | -66.1 | -176.9 | 173.5 | 173.4 | -1.3 | 111.3 | L32 L36 L37 C38 | L32-R34 PolarHBondContact O-N 3.12Å; L32-R34 VanDerWaalsContact O-N 3.11Å; R34-L36 VanDerWaalsContact C-N 3.31Å; R34-L36 PolarHBondContact O-N 3.45Å; R34-L37 PolarHBondContact O-N 3.36Å; R34-C38 WeakPolarHBondContact O-CB 3.4Å; R34-C38 PolarHBondContact O-N 2.99Å |
| 35 | E | 97.3 | Very high | 97.1 | Very high | 65 Ų | 65 | 63.2 Ų | 63.2 | 30% | 0.304 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -65.4 | -37.3 | 179 | -65.3 | 86.4 | 162.3 | 0 | 0 | 111.1 | L32 C38 F39 F281 K289 | L32-E35 PolarHBondContact O-N 2.91Å; E35-C38 PolarHBondContact O-N 2.93Å; E35-F39 WeakPolarHBondContact O-CB 3.25Å; E35-F39 PolarHBondContact O-N 2.85Å; E35-F281 HydrophobicContact CB-CE1 4.37Å; E35-F281 HydrophobicContact CB-CZ 3.94Å; E35-K289 WeakPolarHBondContact OE1-CE 3.23Å; E35-K289 IonicContact OE1-NZ 3.8Å; E35-K289 PolarHBondContact OE1-NZ 2.93Å |
| 36 | L | 96.6 | Very high | 97.2 | Very high | 35 Ų | 35 | 59.8 Ų | 59.8 | 18% | 0.183 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.8 | -46 | 174.5 | -178 | 68.2 | 0 | 0 | 0 | 111.7 | L32 R34 C38 F39 L40 L278 F281 F282 | L32-L36 VanDerWaalsContact O-CB 3.27Å; L32-L36 WeakPolarHBondContact O-CB 3.45Å; L32-L36 PolarHBondContact O-N 2.99Å; R34-L36 VanDerWaalsContact C-N 3.31Å; R34-L36 PolarHBondContact O-N 3.45Å; L36-C38 VanDerWaalsContact C-N 3.3Å; L36-C38 PolarHBondContact O-N 3.41Å; L36-F39 PolarHBondContact O-N 3.46Å; L36-L40 VanDerWaalsContact O-CB 3.27Å; L36-L40 WeakPolarHBondContact O-CB 3.47Å; L36-L40 PolarHBondContact O-N 2.89Å; L36-L278 HydrophobicContact CD1-CD2 3.98Å; L36-F281 HydrophobicContact CB-CE1 4.12Å; L36-F281 HydrophobicContact CD1-CD1 3.78Å; L36-F281 HydrophobicContact CD1-CE1 4.2Å; L36-F281 HydrophobicContact CD1-CG 4.48Å; L36-F282 HydrophobicContact CD1-CE2 4.35Å; L36-F282 HydrophobicContact CD2-CE1 4.33Å; L36-F282 HydrophobicContact CD2-CE2 3.91Å; L36-F282 HydrophobicContact CD2-CZ 3.5Å; L36-F282 VanDerWaalsContact CD2-CZ 3.5Å |
| 37 | L | 97.6 | Very high | 97.3 | Very high | 107 Ų | 107 | 58.8 Ų | 58.8 | 56% | 0.56 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -63.1 | -38.4 | 175.7 | -75 | 178.9 | 0 | 0 | 0 | 111.6 | W33 R34 G41 | W33-L37 HydrophobicContact CE3-CD1 3.73Å; W33-L37 HydrophobicContact CZ3-CD1 3.96Å; W33-L37 WeakPolarHBondContact O-CB 3.5Å; W33-L37 VanDerWaalsContact O-CG 3.24Å; W33-L37 WeakPolarHBondContact O-CG 3.37Å; W33-L37 PolarHBondContact O-N 3.35Å; R34-L37 PolarHBondContact O-N 3.36Å; L37-G41 PolarHBondContact O-N 3.33Å |
| 38 | C | 98.2 | Very high | 97.3 | Very high | 75 Ų | 75 | 60 Ų | 60 | 51% | 0.507 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.8 | -50.1 | 174.9 | -174.3 | 0 | 0 | 0 | 0 | 111.4 | R34 E35 L36 L40 G41 L42 | R34-C38 WeakPolarHBondContact O-CB 3.4Å; R34-C38 PolarHBondContact O-N 2.99Å; E35-C38 PolarHBondContact O-N 2.93Å; L36-C38 VanDerWaalsContact C-N 3.3Å; L36-C38 PolarHBondContact O-N 3.41Å; C38-L40 PolarHBondContact O-N 2.87Å; C38-G41 PolarHBondContact O-N 3.3Å; C38-L42 WeakPolarHBondContact O-CG 3.49Å; C38-L42 PolarHBondContact O-N 2.88Å |
| 39 | F | 97.9 | Very high | 97.3 | Very high | 14 Ų | 14 | 58.5 Ų | 58.5 | 6% | 0.061 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59.8 | -46.5 | 178.2 | -179.1 | -96.6 | 0 | 0 | 0 | 111.7 | E35 L36 L42 Y43 F248 L252 T277 L278 F281 | E35-F39 WeakPolarHBondContact O-CB 3.25Å; E35-F39 PolarHBondContact O-N 2.85Å; L36-F39 PolarHBondContact O-N 3.46Å; F39-L42 PolarHBondContact O-N 3.18Å; F39-Y43 VanDerWaalsContact O-CB 3.3Å; F39-Y43 WeakPolarHBondContact O-CB 3.4Å; F39-Y43 PolarHBondContact O-N 2.86Å; F39-F248 HydrophobicContact CE2-CB 4.3Å; F39-F248 HydrophobicContact CE2-CD1 4.31Å; F39-L252 HydrophobicContact CD2-CD1 4.35Å; F39-L252 HydrophobicContact CE2-CB 4.23Å; F39-L252 HydrophobicContact CE2-CD1 4.1Å; F39-T277 HydrophobicContact CE1-CG2 4.24Å; F39-T277 HydrophobicContact CZ-CG2 4.06Å; F39-L278 HydrophobicContact CD1-CD2 4.05Å; F39-L278 HydrophobicContact CE1-CD2 4.17Å; F39-F281 HydrophobicContact CB-CD2 4.31Å; F39-F281 HydrophobicContact CB-CE2 3.89Å; F39-F281 HydrophobicContact CB-CZ 4.19Å; F39-F281 HydrophobicContact CD1-CD2 4.15Å; F39-F281 HydrophobicContact CD2-CD2 4.09Å; F39-F281 HydrophobicContact CD2-CE2 4.05Å; F39-F281 HydrophobicContact CE2-CD2 4.49Å; F39-F281 AromaticContact CG-CD2 3.91Å; F39-F281 HydrophobicContact CG-CD2 3.91Å; F39-F281 AromaticContact CG-CE2 3.9Å; F39-F281 HydrophobicContact CG-CE2 3.9Å |
| 40 | L | 97.3 | Very high | 97.4 | Very high | 53 Ų | 53 | 55.4 Ų | 55.4 | 28% | 0.277 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -64.3 | -42.5 | 177.2 | -174.8 | 64.7 | 0 | 0 | 0 | 111.4 | L36 C38 Y43 M44 L278 | L36-L40 VanDerWaalsContact O-CB 3.27Å; L36-L40 WeakPolarHBondContact O-CB 3.47Å; L36-L40 PolarHBondContact O-N 2.89Å; C38-L40 PolarHBondContact O-N 2.87Å; L40-Y43 PolarHBondContact O-N 3.08Å; L40-M44 HydrophobicContact CD1-CG 4.12Å; L40-M44 HydrophobicContact CG-CG 4.29Å; L40-M44 WeakPolarHBondContact O-CB 3.47Å; L40-M44 VanDerWaalsContact O-CG 3.23Å; L40-M44 WeakPolarHBondContact O-CG 3.24Å; L40-M44 PolarHBondContact O-N 3.01Å; L40-L278 HydrophobicContact CD1-CD1 4.43Å; L40-L278 HydrophobicContact CD1-CD2 4.36Å |
| 41 | G | 97.9 | Very high | 97.2 | Very high | 42 Ų | 42 | 54.9 Ų | 54.9 | 43% | 0.433 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -59.4 | -47.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L37 C38 A45 | L37-G41 PolarHBondContact O-N 3.33Å; C38-G41 PolarHBondContact O-N 3.3Å; G41-A45 VanDerWaalsContact O-CB 3.28Å; G41-A45 WeakPolarHBondContact O-CB 3.43Å; G41-A45 PolarHBondContact O-N 3.5Å |
| 42 | L | 98.2 | Very high | 97.2 | Very high | 94 Ų | 94 | 60.9 Ų | 60.9 | 49% | 0.492 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -64.1 | -42 | 175.7 | -68.7 | 175 | 0 | 0 | 0 | 111.9 | C38 F39 A45 L46 L252 | C38-L42 WeakPolarHBondContact O-CG 3.49Å; C38-L42 PolarHBondContact O-N 2.88Å; F39-L42 PolarHBondContact O-N 3.18Å; L42-A45 PolarHBondContact O-N 3.33Å; L42-L46 WeakPolarHBondContact O-CB 3.39Å; L42-L46 PolarHBondContact O-N 3.13Å; L42-L252 HydrophobicContact CB-CD1 3.94Å; L42-L252 HydrophobicContact CB-CD2 4.11Å; L42-L252 HydrophobicContact CD1-CD2 4.37Å |
| 43 | Y | 98.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -61.5 | -49.3 | 178.9 | -177.4 | -83.9 | 0 | 0 | 0 | 110.8 | F39 L40 L46 S47 L252 R255 Q256 F257 P274 | F39-Y43 VanDerWaalsContact O-CB 3.3Å; F39-Y43 WeakPolarHBondContact O-CB 3.4Å; F39-Y43 PolarHBondContact O-N 2.86Å; L40-Y43 PolarHBondContact O-N 3.08Å; Y43-L46 PolarHBondContact O-N 2.85Å; Y43-S47 WeakPolarHBondContact O-CB 3.28Å; Y43-S47 PolarHBondContact O-N 2.98Å; Y43-L252 HydrophobicContact CD2-CD1 4.4Å; Y43-R255 WeakPolarHBondContact CE2-O 3.5Å; Y43-R255 PolarHBondContact OH-O 3.22Å; Y43-Q256 HydrophobicContact CE2-CG 4.29Å; Y43-Q256 PolarHBondContact O-NE2 3.01Å; Y43-Q256 VanDerWaalsContact O-NE2 3.08Å; Y43-F257 WeakPolarHBondContact OH-CD2 3.15Å; Y43-P274 HydrophobicContact CD1-CG 3.92Å; Y43-P274 HydrophobicContact CD2-CG 4.12Å; Y43-P274 HydrophobicContact CE1-CB 4.29Å; Y43-P274 VanDerWaalsContact CE1-CD 3.46Å; Y43-P274 HydrophobicContact CE1-CG 3.58Å; Y43-P274 HydrophobicContact CE2-CB 4.17Å; Y43-P274 HydrophobicContact CE2-CG 3.77Å; Y43-P274 HydrophobicContact CG-CG 4.19Å; Y43-P274 VanDerWaalsContact CZ-CG 3.48Å |
| 44 | M | 97.6 | Very high | 97.1 | Very high | 79 Ų | 79 | 64.2 Ų | 64.2 | 39% | 0.389 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -66.4 | -37.1 | 179.7 | -66.5 | -53.8 | -65.8 | 0 | 0 | 111.9 | L40 S47 A48 | L40-M44 HydrophobicContact CD1-CG 4.12Å; L40-M44 HydrophobicContact CG-CG 4.29Å; L40-M44 WeakPolarHBondContact O-CB 3.47Å; L40-M44 VanDerWaalsContact O-CG 3.23Å; L40-M44 WeakPolarHBondContact O-CG 3.24Å; L40-M44 PolarHBondContact O-N 3.01Å; M44-S47 WeakPolarHBondContact O-CB 3.49Å; M44-S47 PolarHBondContact O-N 3.35Å; M44-A48 WeakPolarHBondContact O-CB 3.27Å; M44-A48 PolarHBondContact O-N 3.33Å |
| 45 | A | 97.8 | Very high | 97.1 | Very high | 61 Ų | 61 | 58.8 Ų | 58.8 | 50% | 0.504 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -62 | -45.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | G41 L42 S47 A48 A49 | G41-A45 VanDerWaalsContact O-CB 3.28Å; G41-A45 WeakPolarHBondContact O-CB 3.43Å; G41-A45 PolarHBondContact O-N 3.5Å; L42-A45 PolarHBondContact O-N 3.33Å; A45-S47 VanDerWaalsContact C-N 3.35Å; A45-A48 PolarHBondContact O-N 2.65Å; A45-A49 WeakPolarHBondContact O-CB 3.3Å; A45-A49 PolarHBondContact O-N 3.4Å |
| 46 | L | 97.3 | Very high | 96.9 | Very high | 52 Ų | 52 | 60.5 Ų | 60.5 | 27% | 0.272 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -66.1 | -39.5 | 176.9 | -166.6 | 65.9 | 0 | 0 | 0 | 111.5 | L42 Y43 A49 Y50 F62 I253 Q256 | L42-L46 WeakPolarHBondContact O-CB 3.39Å; L42-L46 PolarHBondContact O-N 3.13Å; Y43-L46 PolarHBondContact O-N 2.85Å; L46-A49 PolarHBondContact O-N 3.12Å; L46-Y50 PolarHBondContact O-N 3.46Å; L46-F62 HydrophobicContact CD1-CE2 3.94Å; L46-F62 HydrophobicContact CD1-CZ 4.3Å; L46-F62 HydrophobicContact CD2-CE2 4.06Å; L46-F62 HydrophobicContact CD2-CZ 3.94Å; L46-F62 HydrophobicContact CG-CE2 3.98Å; L46-F62 HydrophobicContact CG-CZ 3.84Å; L46-I253 HydrophobicContact CD2-CG1 4.09Å; L46-Q256 HydrophobicContact CD2-CG 4.05Å |
| 47 | S | 96.8 | Very high | 96.8 | Very high | 1 Ų | 1 | 67 Ų | 67 | 1% | 0.007 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -62.6 | -41.1 | 174.8 | -123.8 | 0 | 0 | 0 | 0 | 112.9 | Y43 M44 A45 R51 Q256 | Y43-S47 WeakPolarHBondContact O-CB 3.28Å; Y43-S47 PolarHBondContact O-N 2.98Å; M44-S47 WeakPolarHBondContact O-CB 3.49Å; M44-S47 PolarHBondContact O-N 3.35Å; A45-S47 VanDerWaalsContact C-N 3.35Å; S47-R51 WeakPolarHBondContact O-CG 3.47Å; S47-R51 PolarHBondContact O-N 3.31Å; S47-R51 VanDerWaalsContact O-N 3.16Å; S47-R51 PolarHBondContact O-NH1 3.07Å; S47-R51 VanDerWaalsContact O-NH1 3.08Å; S47-R51 PolarHBondContact OG-NH1 3.21Å; S47-Q256 VanDerWaalsContact CB-OE1 3.31Å; S47-Q256 PolarHBondContact OG-OE1 3.38Å |
| 48 | A | 97.1 | Very high | 96.7 | Very high | 38 Ų | 38 | 67 Ų | 67 | 31% | 0.314 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -70.4 | -39.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | M44 A45 R51 F52 | M44-A48 WeakPolarHBondContact O-CB 3.27Å; M44-A48 PolarHBondContact O-N 3.33Å; A45-A48 PolarHBondContact O-N 2.65Å; A48-R51 PolarHBondContact O-N 3.2Å; A48-F52 HydrophobicContact CB-CD2 4.23Å; A48-F52 WeakPolarHBondContact O-CB 3.49Å; A48-F52 WeakPolarHBondContact O-CD2 3.47Å; A48-F52 PolarHBondContact O-N 2.97Å |
| 49 | A | 97.2 | Very high | 96.5 | Very high | 28 Ų | 28 | 65.1 Ų | 65.1 | 23% | 0.231 | 35% | 0.352 | C | S | . | . | I | π-helix | trans | -60.5 | -46.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | A45 L46 R51 L53 L54 | A45-A49 WeakPolarHBondContact O-CB 3.3Å; A45-A49 PolarHBondContact O-N 3.4Å; L46-A49 PolarHBondContact O-N 3.12Å; A49-R51 VanDerWaalsContact C-N 3.35Å; A49-R51 PolarHBondContact O-N 2.86Å; A49-L53 WeakPolarHBondContact O-CA 3.48Å; A49-L53 WeakPolarHBondContact O-CB 3.49Å; A49-L53 PolarHBondContact O-N 3.47Å; A49-L54 PolarHBondContact O-N 3.01Å |
| 50 | Y | 96.8 | Very high | 96.4 | Very high | 10 Ų | 10 | 67.4 Ų | 67.4 | 4% | 0.039 | 36% | 0.361 | C | S | . | . | I | π-helix | trans | -59.1 | -42.8 | 175.6 | 170.8 | -112 | 0 | 0 | 0 | 112.7 | L46 L54 K59 F62 E63 D259 | L46-Y50 PolarHBondContact O-N 3.46Å; Y50-L54 HydrophobicContact CD2-CD1 4.3Å; Y50-K59 HydrophobicContact CD2-CB 4.35Å; Y50-K59 HydrophobicContact CD2-CG 4Å; Y50-K59 HydrophobicContact CE2-CB 3.82Å; Y50-K59 HydrophobicContact CE2-CD 4.27Å; Y50-K59 HydrophobicContact CE2-CG 3.83Å; Y50-K59 WeakPolarHBondContact O-CE 3.37Å; Y50-F62 HydrophobicContact CD2-CB 4.41Å; Y50-F62 AromaticContact CD2-CD1 3.33Å; Y50-F62 HydrophobicContact CD2-CD1 3.33Å; Y50-F62 AromaticContact CD2-CE1 3.87Å; Y50-F62 HydrophobicContact CD2-CE1 3.87Å; Y50-F62 HydrophobicContact CD2-CG 4.12Å; Y50-F62 AromaticContact CE2-CD1 3.88Å; Y50-F62 HydrophobicContact CE2-CD1 3.88Å; Y50-F62 AromaticContact CG-CD1 3.89Å; Y50-F62 HydrophobicContact CG-CD1 3.89Å; Y50-F62 AromaticContact CG-CE1 3.92Å; Y50-F62 HydrophobicContact CG-CE1 3.92Å; Y50-E63 HydrophobicContact CE2-CG 4.1Å; Y50-E63 PolarHBondContact OH-OE1 3.12Å; Y50-D259 WeakPolarHBondContact OH-CB 3.47Å; Y50-D259 PolarHBondContact OH-N 3.31Å |
| 51 | R | 94.7 | Very high | 96.4 | Very high | 69 Ų | 69 | 72.7 Ų | 72.7 | 26% | 0.26 | 38% | 0.378 | S | S | . | . | I | π-helix | trans | -76.3 | -41.4 | -176.9 | -70.8 | -177 | -174.6 | 84.4 | -5 | 113.9 | S47 A48 A49 D270 | S47-R51 WeakPolarHBondContact O-CG 3.47Å; S47-R51 PolarHBondContact O-N 3.31Å; S47-R51 VanDerWaalsContact O-N 3.16Å; S47-R51 PolarHBondContact O-NH1 3.07Å; S47-R51 VanDerWaalsContact O-NH1 3.08Å; S47-R51 PolarHBondContact OG-NH1 3.21Å; A48-R51 PolarHBondContact O-N 3.2Å; A49-R51 VanDerWaalsContact C-N 3.35Å; A49-R51 PolarHBondContact O-N 2.86Å; R51-D270 IonicContact CZ-OD2 3.03Å; R51-D270 IonicContact NE-OD2 2.56Å; R51-D270 VanDerWaalsContact NH2-CG 3.32Å; R51-D270 IonicContact NH2-OD1 2.78Å; R51-D270 PolarHBondContact NH2-OD1 3.04Å; R51-D270 VanDerWaalsContact NH2-OD1 3.1Å; R51-D270 IonicContact NH2-OD2 3.21Å; R51-D270 PolarHBondContact NH2-OD2 2.85Å |
| 52 | F | 95.9 | Very high | 96.4 | Very high | 169 Ų | 169 | 71.6 Ų | 71.6 | 74% | 0.741 | 36% | 0.361 | S | S | * | . | I | π-helix | trans | -115.6 | -24.9 | -166.5 | -53.8 | -63.5 | 0 | 0 | 0 | 115.1 | A48 | A48-F52 HydrophobicContact CB-CD2 4.23Å; A48-F52 WeakPolarHBondContact O-CB 3.49Å; A48-F52 WeakPolarHBondContact O-CD2 3.47Å; A48-F52 PolarHBondContact O-N 2.97Å |
| 53 | L | 96.4 | Very high | 96.3 | Very high | 136 Ų | 136 | 67.1 Ų | 67.1 | 71% | 0.712 | 34% | 0.338 | S | S | * | . | I | π-helix | trans | -103.4 | -37.6 | -174.9 | -78.7 | 82.4 | 0 | 0 | 0 | 113.1 | A49 | A49-L53 WeakPolarHBondContact O-CA 3.48Å; A49-L53 WeakPolarHBondContact O-CB 3.49Å; A49-L53 PolarHBondContact O-N 3.47Å |
| 54 | L | 95.6 | Very high | 96.2 | Very high | 48 Ų | 48 | 73.6 Ų | 73.6 | 25% | 0.251 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -73.9 | 132.3 | -176.9 | -65.9 | -174.2 | 0 | 0 | 0 | 111.5 | A49 Y50 Q58 K59 F62 | A49-L54 PolarHBondContact O-N 3.01Å; Y50-L54 HydrophobicContact CD2-CD1 4.3Å; L54-Q58 HydrophobicContact CB-CB 4.17Å; L54-Q58 HydrophobicContact CD2-CB 4.08Å; L54-K59 HydrophobicContact CB-CG 3.82Å; L54-K59 VanDerWaalsContact O-CE 3.25Å; L54-K59 WeakPolarHBondContact O-CE 3.45Å; L54-F62 HydrophobicContact CD1-CB 3.93Å; L54-F62 HydrophobicContact CD1-CD2 4.36Å; L54-F62 HydrophobicContact CD1-CG 4.09Å |
| 55 | A | 95.9 | Very high | 96.1 | Very high | 59 Ų | 59 | 72.6 Ų | 72.6 | 49% | 0.488 | 36% | 0.362 | S | S | . | . | trans | -69.5 | 161 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | E57 Q58 K59 | A55-E57 VanDerWaalsContact C-N 3.28Å; A55-E57 PolarHBondContact O-N 3.23Å; A55-Q58 WeakPolarHBondContact O-CB 3.23Å; A55-Q58 PolarHBondContact O-N 2.98Å; A55-K59 WeakPolarHBondContact O-CG 3.45Å; A55-K59 PolarHBondContact O-N 2.96Å | ||
| 56 | E | 93.9 | Very high | 96 | Very high | 101 Ų | 101 | 69.7 Ų | 69.7 | 47% | 0.472 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -54.3 | -40.6 | -176.3 | -75 | -57.1 | 130.6 | 0 | 0 | 113.5 | Q58 K59 R60 | E56-Q58 PolarHBondContact O-N 3.31Å; E56-K59 PolarHBondContact O-N 3.47Å; E56-K59 IonicContact OE1-NZ 2.84Å; E56-K59 PolarHBondContact OE1-NZ 3.34Å; E56-R60 WeakPolarHBondContact O-CG 3.36Å; E56-R60 PolarHBondContact O-N 3.34Å; E56-R60 IonicContact OE2-CZ 2.75Å; E56-R60 IonicContact OE2-NE 2.72Å; E56-R60 IonicContact OE2-NH2 3.58Å; E56-R60 PolarHBondContact OE2-NH2 3.35Å |
| 57 | E | 93.8 | Very high | 95.9 | Very high | 171 Ų | 171 | 70 Ų | 70 | 80% | 0.799 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -64.3 | -41.8 | 176.6 | -170.8 | -179.8 | -178.6 | 0 | 0 | 112.4 | A55 R60 Y61 | A55-E57 VanDerWaalsContact C-N 3.28Å; A55-E57 PolarHBondContact O-N 3.23Å; E57-R60 PolarHBondContact O-N 2.88Å; E57-Y61 PolarHBondContact O-N 3.34Å |
| 58 | Q | 95.4 | Very high | 95.8 | Very high | 106 Ų | 106 | 75.8 Ų | 75.8 | 50% | 0.495 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -69.2 | -34.4 | 178.2 | -64.7 | 175.6 | -31.7 | 0 | 0 | 111.8 | L54 A55 E56 R60 Y61 F62 | L54-Q58 HydrophobicContact CB-CB 4.17Å; L54-Q58 HydrophobicContact CD2-CB 4.08Å; A55-Q58 WeakPolarHBondContact O-CB 3.23Å; A55-Q58 PolarHBondContact O-N 2.98Å; E56-Q58 PolarHBondContact O-N 3.31Å; Q58-R60 VanDerWaalsContact C-N 3.34Å; Q58-R60 PolarHBondContact O-N 3.46Å; Q58-Y61 PolarHBondContact O-N 3.49Å; Q58-F62 WeakPolarHBondContact O-CB 3.36Å; Q58-F62 PolarHBondContact O-N 3.46Å |
| 59 | K | 95.6 | Very high | 95.7 | Very high | 37 Ų | 37 | 74.7 Ų | 74.7 | 16% | 0.161 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -59.7 | -43.5 | 173.1 | -71.6 | -177.7 | -174 | 170.3 | 0 | 111.5 | Y50 L54 A55 E56 Y61 F62 E63 | Y50-K59 HydrophobicContact CD2-CB 4.35Å; Y50-K59 HydrophobicContact CD2-CG 4Å; Y50-K59 HydrophobicContact CE2-CB 3.82Å; Y50-K59 HydrophobicContact CE2-CD 4.27Å; Y50-K59 HydrophobicContact CE2-CG 3.83Å; Y50-K59 WeakPolarHBondContact O-CE 3.37Å; L54-K59 HydrophobicContact CB-CG 3.82Å; L54-K59 VanDerWaalsContact O-CE 3.25Å; L54-K59 WeakPolarHBondContact O-CE 3.45Å; A55-K59 WeakPolarHBondContact O-CG 3.45Å; A55-K59 PolarHBondContact O-N 2.96Å; E56-K59 PolarHBondContact O-N 3.47Å; E56-K59 IonicContact OE1-NZ 2.84Å; E56-K59 PolarHBondContact OE1-NZ 3.34Å; K59-Y61 VanDerWaalsContact C-N 3.28Å; K59-Y61 PolarHBondContact O-N 3.26Å; K59-F62 WeakPolarHBondContact O-CB 3.45Å; K59-F62 PolarHBondContact O-N 3.15Å; K59-E63 WeakPolarHBondContact O-CB 3.25Å; K59-E63 VanDerWaalsContact O-CD 3.3Å; K59-E63 VanDerWaalsContact O-CG 3.25Å; K59-E63 WeakPolarHBondContact O-CG 3.49Å; K59-E63 PolarHBondContact O-N 3.12Å |
| 60 | R | 96 | Very high | 95.6 | Very high | 62 Ų | 62 | 75.3 Ų | 75.3 | 23% | 0.234 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -61.2 | -36.7 | 175.9 | -55 | -55 | 140.6 | -150.7 | 7.3 | 112.7 | E56 E57 Q58 E63 K64 Q262 | E56-R60 WeakPolarHBondContact O-CG 3.36Å; E56-R60 PolarHBondContact O-N 3.34Å; E56-R60 IonicContact OE2-CZ 2.75Å; E56-R60 IonicContact OE2-NE 2.72Å; E56-R60 IonicContact OE2-NH2 3.58Å; E56-R60 PolarHBondContact OE2-NH2 3.35Å; E57-R60 PolarHBondContact O-N 2.88Å; Q58-R60 VanDerWaalsContact C-N 3.34Å; Q58-R60 PolarHBondContact O-N 3.46Å; R60-E63 WeakPolarHBondContact CA-OE2 3.43Å; R60-E63 WeakPolarHBondContact CD-OE2 3.14Å; R60-E63 IonicContact CZ-OE1 3.59Å; R60-E63 IonicContact CZ-OE2 3.89Å; R60-E63 IonicContact NE-OE2 2.73Å; R60-E63 IonicContact NH1-OE1 2.74Å; R60-E63 PolarHBondContact NH1-OE1 3.2Å; R60-E63 IonicContact NH1-OE2 3.37Å; R60-E63 PolarHBondContact NH1-OE2 3.39Å; R60-K64 WeakPolarHBondContact O-CG 3.38Å; R60-K64 PolarHBondContact O-N 2.65Å; R60-Q262 VanDerWaalsContact NH1-OE1 3.15Å |
| 61 | Y | 96.5 | Very high | 95.3 | Very high | 164 Ų | 164 | 80.9 Ų | 80.9 | 64% | 0.643 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -70.7 | -43.2 | 175.2 | -177.7 | -98.3 | 0 | 0 | 0 | 111.6 | E57 Q58 K59 E63 K64 L65 | E57-Y61 PolarHBondContact O-N 3.34Å; Q58-Y61 PolarHBondContact O-N 3.49Å; K59-Y61 VanDerWaalsContact C-N 3.28Å; K59-Y61 PolarHBondContact O-N 3.26Å; Y61-E63 PolarHBondContact O-N 3.11Å; Y61-K64 WeakPolarHBondContact O-CB 3.39Å; Y61-K64 PolarHBondContact O-N 3.45Å; Y61-L65 PolarHBondContact O-N 3.49Å |
| 62 | F | 97.3 | Very high | 95 | Very high | 18 Ų | 18 | 83 Ų | 83 | 8% | 0.079 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -59.5 | -44.9 | 176.4 | -176.6 | -99.8 | 0 | 0 | 0 | 111.8 | L46 Y50 L54 Q58 K59 K64 L65 V66 I253 Q256 | L46-F62 HydrophobicContact CD1-CE2 3.94Å; L46-F62 HydrophobicContact CD1-CZ 4.3Å; L46-F62 HydrophobicContact CD2-CE2 4.06Å; L46-F62 HydrophobicContact CD2-CZ 3.94Å; L46-F62 HydrophobicContact CG-CE2 3.98Å; L46-F62 HydrophobicContact CG-CZ 3.84Å; Y50-F62 HydrophobicContact CD2-CB 4.41Å; Y50-F62 AromaticContact CD2-CD1 3.33Å; Y50-F62 HydrophobicContact CD2-CD1 3.33Å; Y50-F62 AromaticContact CD2-CE1 3.87Å; Y50-F62 HydrophobicContact CD2-CE1 3.87Å; Y50-F62 HydrophobicContact CD2-CG 4.12Å; Y50-F62 AromaticContact CE2-CD1 3.88Å; Y50-F62 HydrophobicContact CE2-CD1 3.88Å; Y50-F62 AromaticContact CG-CD1 3.89Å; Y50-F62 HydrophobicContact CG-CD1 3.89Å; Y50-F62 AromaticContact CG-CE1 3.92Å; Y50-F62 HydrophobicContact CG-CE1 3.92Å; L54-F62 HydrophobicContact CD1-CB 3.93Å; L54-F62 HydrophobicContact CD1-CD2 4.36Å; L54-F62 HydrophobicContact CD1-CG 4.09Å; Q58-F62 WeakPolarHBondContact O-CB 3.36Å; Q58-F62 PolarHBondContact O-N 3.46Å; K59-F62 WeakPolarHBondContact O-CB 3.45Å; K59-F62 PolarHBondContact O-N 3.15Å; F62-K64 VanDerWaalsContact C-N 3.28Å; F62-K64 PolarHBondContact O-N 3.3Å; F62-L65 CarbonylContact O-C 3.56Å; F62-L65 WeakPolarHBondContact O-CA 3.34Å; F62-L65 WeakPolarHBondContact O-CB 3.42Å; F62-L65 PolarHBondContact O-N 3.4Å; F62-V66 HydrophobicContact CD1-CG2 3.85Å; F62-V66 HydrophobicContact CE1-CG2 3.5Å; F62-V66 HydrophobicContact CE2-CG2 4.5Å; F62-V66 HydrophobicContact CZ-CG2 3.87Å; F62-V66 WeakPolarHBondContact O-CG2 3.41Å; F62-V66 PolarHBondContact O-N 3.46Å; F62-I253 HydrophobicContact CE2-CG2 4.49Å; F62-Q256 HydrophobicContact CE1-CB 4.14Å; F62-Q256 HydrophobicContact CE1-CG 4.37Å; F62-Q256 HydrophobicContact CZ-CB 4.28Å; F62-Q256 HydrophobicContact CZ-CG 4.01Å |
| 63 | E | 96.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 75.1 Ų | 75.1 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -56.8 | -40.7 | 175.9 | -73.3 | 155 | -173.8 | 0 | 0 | 112.2 | Y50 K59 R60 Y61 V66 M67 L258 Y264 | Y50-E63 HydrophobicContact CE2-CG 4.1Å; Y50-E63 PolarHBondContact OH-OE1 3.12Å; K59-E63 WeakPolarHBondContact O-CB 3.25Å; K59-E63 VanDerWaalsContact O-CD 3.3Å; K59-E63 VanDerWaalsContact O-CG 3.25Å; K59-E63 WeakPolarHBondContact O-CG 3.49Å; K59-E63 PolarHBondContact O-N 3.12Å; R60-E63 WeakPolarHBondContact CA-OE2 3.43Å; R60-E63 WeakPolarHBondContact CD-OE2 3.14Å; R60-E63 IonicContact CZ-OE1 3.59Å; R60-E63 IonicContact CZ-OE2 3.89Å; R60-E63 IonicContact NE-OE2 2.73Å; R60-E63 IonicContact NH1-OE1 2.74Å; R60-E63 PolarHBondContact NH1-OE1 3.2Å; R60-E63 IonicContact NH1-OE2 3.37Å; R60-E63 PolarHBondContact NH1-OE2 3.39Å; Y61-E63 PolarHBondContact O-N 3.11Å; E63-V66 PolarHBondContact O-N 3.02Å; E63-M67 WeakPolarHBondContact O-CE 3.47Å; E63-M67 WeakPolarHBondContact O-CG 3.46Å; E63-M67 PolarHBondContact O-N 2.82Å; E63-M67 VanDerWaalsContact O-N 3.12Å; E63-L258 HydrophobicContact CB-CD1 4.19Å; E63-L258 HydrophobicContact CB-CD2 4.38Å; E63-L258 HydrophobicContact CG-CB 4.49Å; E63-L258 HydrophobicContact CG-CD1 4.11Å; E63-L258 HydrophobicContact CG-CD2 3.77Å; E63-L258 HydrophobicContact CG-CG 4.34Å; E63-Y264 HydrophobicContact CB-CE2 3.91Å; E63-Y264 HydrophobicContact CG-CE2 3.92Å; E63-Y264 WeakPolarHBondContact OE2-CE2 3.42Å; E63-Y264 PolarHBondContact OE2-OH 2.83Å; E63-Y264 VanDerWaalsContact OE2-OH 3.09Å |
| 64 | K | 95.4 | Very high | 93.7 | Very high | 136 Ų | 136 | 72.9 Ų | 72.9 | 59% | 0.591 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -64.1 | -40.4 | 173 | -68.6 | 172.7 | -176.6 | 176.8 | 0 | 112.2 | R60 Y61 F62 M67 Y68 | R60-K64 WeakPolarHBondContact O-CG 3.38Å; R60-K64 PolarHBondContact O-N 2.65Å; Y61-K64 WeakPolarHBondContact O-CB 3.39Å; Y61-K64 PolarHBondContact O-N 3.45Å; F62-K64 VanDerWaalsContact C-N 3.28Å; F62-K64 PolarHBondContact O-N 3.3Å; K64-M67 HydrophobicContact CG-CE 4.33Å; K64-M67 PolarHBondContact O-N 3.42Å; K64-Y68 WeakPolarHBondContact O-CB 3.49Å; K64-Y68 PolarHBondContact O-N 3.18Å |
| 65 | L | 96.5 | Very high | 92.9 | Very high | 59 Ų | 59 | 76.6 Ų | 76.6 | 31% | 0.309 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -65.7 | -39.7 | 177.1 | -175.6 | 66.8 | 0 | 0 | 0 | 111.8 | Y61 F62 Y68 C69 I253 | Y61-L65 PolarHBondContact O-N 3.49Å; F62-L65 CarbonylContact O-C 3.56Å; F62-L65 WeakPolarHBondContact O-CA 3.34Å; F62-L65 WeakPolarHBondContact O-CB 3.42Å; F62-L65 PolarHBondContact O-N 3.4Å; L65-Y68 HydrophobicContact CD1-CD1 4.45Å; L65-Y68 WeakPolarHBondContact O-CB 3.48Å; L65-Y68 PolarHBondContact O-N 3.2Å; L65-C69 PolarHBondContact O-N 2.83Å; L65-C69 PolarHBondContact O-SG 3.37Å; L65-C69 VanDerWaalsContact O-SG 3.41Å; L65-I253 HydrophobicContact CD2-CG2 4.13Å; L65-I253 HydrophobicContact CG-CG2 4.01Å |
| 66 | V | 96.5 | Very high | 92 | Very high | 0 Ų | 0 | 76.3 Ų | 76.3 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -58.6 | -52.5 | 174.4 | 172.7 | 0 | 0 | 0 | 0 | 110.3 | F62 E63 Y68 C69 D70 I253 G254 Q256 L258 | F62-V66 HydrophobicContact CD1-CG2 3.85Å; F62-V66 HydrophobicContact CE1-CG2 3.5Å; F62-V66 HydrophobicContact CE2-CG2 4.5Å; F62-V66 HydrophobicContact CZ-CG2 3.87Å; F62-V66 WeakPolarHBondContact O-CG2 3.41Å; F62-V66 PolarHBondContact O-N 3.46Å; E63-V66 PolarHBondContact O-N 3.02Å; V66-Y68 VanDerWaalsContact C-N 3.27Å; V66-Y68 PolarHBondContact O-N 3.28Å; V66-C69 PolarHBondContact O-N 3.14Å; V66-D70 PolarHBondContact O-N 3.49Å; V66-I253 HydrophobicContact CG2-CG2 4.22Å; V66-I253 WeakPolarHBondContact CG2-O 3.27Å; V66-G254 WeakPolarHBondContact CG1-O 3.38Å; V66-G254 VanDerWaalsContact O-CA 3.32Å; V66-G254 WeakPolarHBondContact O-CA 3.27Å; V66-Q256 HydrophobicContact CG2-CB 4.11Å; V66-L258 HydrophobicContact CB-CD1 4.47Å; V66-L258 HydrophobicContact CB-CD2 4.01Å; V66-L258 HydrophobicContact CG1-CD1 4.23Å; V66-L258 HydrophobicContact CG1-CD2 4Å; V66-L258 HydrophobicContact CG1-CG 4.24Å; V66-L258 HydrophobicContact CG2-CD2 3.83Å |
| 67 | M | 94.4 | Very high | 91.6 | Very high | 57 Ų | 57 | 76 Ų | 76 | 28% | 0.281 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -60.1 | -37.2 | 177.8 | -68.3 | -175.8 | -73.2 | 0 | 0 | 112.6 | E63 K64 Q71 Y264 | E63-M67 WeakPolarHBondContact O-CE 3.47Å; E63-M67 WeakPolarHBondContact O-CG 3.46Å; E63-M67 PolarHBondContact O-N 2.82Å; E63-M67 VanDerWaalsContact O-N 3.12Å; K64-M67 HydrophobicContact CG-CE 4.33Å; K64-M67 PolarHBondContact O-N 3.42Å; M67-Q71 WeakPolarHBondContact O-CG 3.36Å; M67-Q71 PolarHBondContact O-N 3.03Å; M67-Y264 HydrophobicContact CE-CD1 4.02Å; M67-Y264 HydrophobicContact CE-CE1 3.76Å; M67-Y264 HydrophobicContact SD-CD1 3.85Å; M67-Y264 HydrophobicContact SD-CE1 4.22Å |
| 68 | Y | 94.6 | Very high | 91.4 | Very high | 124 Ų | 124 | 68 Ų | 68 | 49% | 0.486 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -62.7 | -52.1 | 174.5 | 175.9 | -95.2 | 0 | 0 | 0 | 111.3 | K64 L65 V66 D70 Q71 Y72 | K64-Y68 WeakPolarHBondContact O-CB 3.49Å; K64-Y68 PolarHBondContact O-N 3.18Å; L65-Y68 HydrophobicContact CD1-CD1 4.45Å; L65-Y68 WeakPolarHBondContact O-CB 3.48Å; L65-Y68 PolarHBondContact O-N 3.2Å; V66-Y68 VanDerWaalsContact C-N 3.27Å; V66-Y68 PolarHBondContact O-N 3.28Å; Y68-D70 VanDerWaalsContact C-N 3.33Å; Y68-D70 PolarHBondContact O-N 3.41Å; Y68-Q71 PolarHBondContact O-N 2.99Å; Y68-Y72 HydrophobicContact CD1-CD2 4.32Å; Y68-Y72 HydrophobicContact CD1-CE2 4.46Å; Y68-Y72 HydrophobicContact CD2-CD2 4.37Å; Y68-Y72 AromaticContact CD2-CE2 3.9Å; Y68-Y72 HydrophobicContact CD2-CE2 3.9Å; Y68-Y72 AromaticContact CE1-CD2 3.97Å; Y68-Y72 HydrophobicContact CE1-CD2 3.97Å; Y68-Y72 AromaticContact CE1-CE2 3.9Å; Y68-Y72 HydrophobicContact CE1-CE2 3.9Å; Y68-Y72 HydrophobicContact CE2-CD2 4.05Å; Y68-Y72 AromaticContact CE2-CE2 3.28Å; Y68-Y72 HydrophobicContact CE2-CE2 3.28Å; Y68-Y72 HydrophobicContact CG-CD2 4.5Å; Y68-Y72 HydrophobicContact CG-CE2 4.45Å; Y68-Y72 AromaticContact CZ-CD2 3.81Å; Y68-Y72 AromaticContact CZ-CE2 3.25Å; Y68-Y72 AromaticContact CZ-CZ 3.94Å; Y68-Y72 WeakPolarHBondContact O-CD2 3.3Å; Y68-Y72 PolarHBondContact O-N 3.48Å; Y68-Y72 WeakPolarHBondContact OH-CE2 3.19Å |
| 69 | C | 95.6 | Very high | 91.2 | Very high | 14 Ų | 14 | 65.4 Ų | 65.4 | 10% | 0.095 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.5 | -35.9 | -178.8 | -71.2 | 0 | 0 | 0 | 0 | 113.1 | L65 V66 Q71 Y72 A73 I253 | L65-C69 PolarHBondContact O-N 2.83Å; L65-C69 PolarHBondContact O-SG 3.37Å; L65-C69 VanDerWaalsContact O-SG 3.41Å; V66-C69 PolarHBondContact O-N 3.14Å; C69-Q71 VanDerWaalsContact C-N 3.35Å; C69-Q71 PolarHBondContact O-N 2.75Å; C69-Y72 PolarHBondContact O-N 3.46Å; C69-A73 PolarHBondContact O-N 2.96Å; C69-I253 HydrophobicContact CB-CB 4.16Å; C69-I253 HydrophobicContact CB-CG2 4.29Å |
| 70 | D | 93.9 | Very high | 91.1 | Very high | 42 Ų | 42 | 70.4 Ų | 70.4 | 23% | 0.225 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -66.6 | -35.9 | 179.6 | -167.6 | 40.2 | 0 | 0 | 0 | 112.9 | V66 Y68 Y72 A73 S74 R255 | V66-D70 PolarHBondContact O-N 3.49Å; Y68-D70 VanDerWaalsContact C-N 3.33Å; Y68-D70 PolarHBondContact O-N 3.41Å; D70-Y72 PolarHBondContact O-N 2.9Å; D70-A73 PolarHBondContact O-N 3.43Å; D70-S74 PolarHBondContact O-N 3.28Å; D70-S74 PolarHBondContact O-OG 3.03Å; D70-R255 IonicContact OD1-CZ 3.73Å; D70-R255 IonicContact OD1-NE 3.98Å; D70-R255 PolarHBondContact OD1-NE 2.92Å; D70-R255 IonicContact OD1-NH2 2.81Å; D70-R255 PolarHBondContact OD1-NH2 3.32Å |
| 71 | Q | 91.4 | Very high | 90.9 | Very high | 127 Ų | 127 | 68.8 Ų | 68.8 | 59% | 0.593 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -61 | -45.5 | 173.3 | -71 | 175.3 | 11.5 | 0 | 0 | 111.5 | M67 Y68 C69 S74 L75 | M67-Q71 WeakPolarHBondContact O-CG 3.36Å; M67-Q71 PolarHBondContact O-N 3.03Å; Y68-Q71 PolarHBondContact O-N 2.99Å; C69-Q71 VanDerWaalsContact C-N 3.35Å; C69-Q71 PolarHBondContact O-N 2.75Å; Q71-S74 PolarHBondContact O-N 3.21Å; Q71-L75 WeakPolarHBondContact O-CG 3.06Å |
| 72 | Y | 88.6 | Confident | 90.8 | Very high | 113 Ų | 113 | 61 Ų | 61 | 44% | 0.443 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -70.8 | -34.5 | 178.9 | -79.3 | -86.4 | 0 | 0 | 0 | 113.1 | Y68 C69 D70 S74 L75 I76 | Y68-Y72 HydrophobicContact CD1-CD2 4.32Å; Y68-Y72 HydrophobicContact CD1-CE2 4.46Å; Y68-Y72 HydrophobicContact CD2-CD2 4.37Å; Y68-Y72 AromaticContact CD2-CE2 3.9Å; Y68-Y72 HydrophobicContact CD2-CE2 3.9Å; Y68-Y72 AromaticContact CE1-CD2 3.97Å; Y68-Y72 HydrophobicContact CE1-CD2 3.97Å; Y68-Y72 AromaticContact CE1-CE2 3.9Å; Y68-Y72 HydrophobicContact CE1-CE2 3.9Å; Y68-Y72 HydrophobicContact CE2-CD2 4.05Å; Y68-Y72 AromaticContact CE2-CE2 3.28Å; Y68-Y72 HydrophobicContact CE2-CE2 3.28Å; Y68-Y72 HydrophobicContact CG-CD2 4.5Å; Y68-Y72 HydrophobicContact CG-CE2 4.45Å; Y68-Y72 AromaticContact CZ-CD2 3.81Å; Y68-Y72 AromaticContact CZ-CE2 3.25Å; Y68-Y72 AromaticContact CZ-CZ 3.94Å; Y68-Y72 WeakPolarHBondContact O-CD2 3.3Å; Y68-Y72 PolarHBondContact O-N 3.48Å; Y68-Y72 WeakPolarHBondContact OH-CE2 3.19Å; C69-Y72 PolarHBondContact O-N 3.46Å; D70-Y72 PolarHBondContact O-N 2.9Å; Y72-S74 PolarHBondContact O-N 3.15Å; Y72-L75 HydrophobicContact CD1-CD1 4.33Å; Y72-L75 PolarHBondContact O-N 3.32Å; Y72-I76 WeakPolarHBondContact O-CG1 3.29Å; Y72-I76 PolarHBondContact O-N 2.84Å |
| 73 | A | 88 | Confident | 90.7 | Very high | 3 Ų | 3 | 60.9 Ų | 60.9 | 3% | 0.025 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -57.8 | -33.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | C69 D70 L75 Y247 A250 | C69-A73 PolarHBondContact O-N 2.96Å; D70-A73 PolarHBondContact O-N 3.43Å; A73-L75 VanDerWaalsContact C-N 3.34Å; A73-Y247 HydrophobicContact CB-CE2 4.43Å; A73-Y247 WeakPolarHBondContact O-CE2 3.46Å; A73-A250 HydrophobicContact CB-CB 4.01Å |
| 74 | S | 76.4 | Confident | 90.7 | Very high | 90 Ų | 90 | 66.4 Ų | 66.4 | 63% | 0.629 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -77.3 | -17 | 178.7 | -57.7 | 0 | 0 | 0 | 0 | 114 | D70 Q71 Y72 | D70-S74 PolarHBondContact O-N 3.28Å; D70-S74 PolarHBondContact O-OG 3.03Å; Q71-S74 PolarHBondContact O-N 3.21Å; Y72-S74 PolarHBondContact O-N 3.15Å |
| 75 | L | 78.5 | Confident | 90.8 | Very high | 126 Ų | 126 | 60.2 Ų | 60.2 | 66% | 0.66 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -91.5 | -18.8 | -176.8 | -70.4 | 167 | 0 | 0 | 0 | 113.5 | Q71 Y72 A73 P77 | Q71-L75 WeakPolarHBondContact O-CG 3.06Å; Y72-L75 HydrophobicContact CD1-CD1 4.33Å; Y72-L75 PolarHBondContact O-N 3.32Å; A73-L75 VanDerWaalsContact C-N 3.34Å; L75-P77 VanDerWaalsContact O-CD 3.28Å; L75-P77 WeakPolarHBondContact O-CD 3.48Å |
| 76 | I | 77.1 | Confident | 90.9 | Very high | 52 Ų | 52 | 57.9 Ų | 57.9 | 27% | 0.267 | 30% | 0.297 | S | S | . | . | trans | -80.6 | 115.7 | -174.4 | -57.1 | 164.1 | 0 | 0 | 0 | 109.9 | Y72 V78 Y247 | Y72-I76 WeakPolarHBondContact O-CG1 3.29Å; Y72-I76 PolarHBondContact O-N 2.84Å; I76-V78 HydrophobicContact CB-CG2 4.16Å; I76-V78 HydrophobicContact CG2-CG2 3.45Å; I76-V78 VanDerWaalsContact CG2-CG2 3.45Å; I76-V78 PolarHBondContact O-N 3.33Å; I76-Y247 HydrophobicContact CD1-CD2 4.49Å | ||
| 77 | P | 85.3 | Confident | 91 | Very high | 95 Ų | 95 | 62.4 Ų | 62.4 | 62% | 0.617 | 33% | 0.325 | S | S | * | . | trans | -82.4 | 58.5 | -178.5 | 35.6 | -36.1 | 0 | 0 | 0 | 111.9 | L75 S79 F80 | L75-P77 VanDerWaalsContact O-CD 3.28Å; L75-P77 WeakPolarHBondContact O-CD 3.48Å; P77-S79 VanDerWaalsContact C-N 3.26Å; P77-S79 PolarHBondContact O-N 2.99Å; P77-F80 PolarHBondContact O-N 3.36Å | ||
| 78 | V | 90.1 | Very high | 91.2 | Very high | 2 Ų | 2 | 62.8 Ų | 62.8 | 1% | 0.012 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -56.3 | -40.6 | -175.7 | -175.2 | 0 | 0 | 0 | 0 | 111.7 | I76 F80 V81 L82 V244 Y247 Y284 | I76-V78 HydrophobicContact CB-CG2 4.16Å; I76-V78 HydrophobicContact CG2-CG2 3.45Å; I76-V78 VanDerWaalsContact CG2-CG2 3.45Å; I76-V78 PolarHBondContact O-N 3.33Å; V78-F80 VanDerWaalsContact C-N 3.25Å; V78-F80 PolarHBondContact O-N 2.92Å; V78-V81 VanDerWaalsContact O-CG1 3.28Å; V78-V81 WeakPolarHBondContact O-CG1 3.46Å; V78-V81 PolarHBondContact O-N 3.13Å; V78-L82 HydrophobicContact CG1-CD1 4.1Å; V78-L82 WeakPolarHBondContact O-CB 3.24Å; V78-L82 PolarHBondContact O-N 3.31Å; V78-V244 HydrophobicContact CG1-CG2 3.77Å; V78-Y247 HydrophobicContact CG2-CD2 4.01Å; V78-Y247 HydrophobicContact CG2-CG 3.83Å; V78-Y284 HydrophobicContact CB-CD1 4.21Å; V78-Y284 HydrophobicContact CB-CE1 4.13Å; V78-Y284 HydrophobicContact CG1-CD1 3.82Å; V78-Y284 HydrophobicContact CG1-CE1 4.23Å; V78-Y284 HydrophobicContact CG1-CG 4.42Å |
| 79 | S | 92 | Very high | 91.3 | Very high | 52 Ų | 52 | 57 Ų | 57 | 36% | 0.364 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -57.7 | -36 | -178 | -48.4 | 0 | 0 | 0 | 0 | 113.5 | P77 G83 Y284 | P77-S79 VanDerWaalsContact C-N 3.26Å; P77-S79 PolarHBondContact O-N 2.99Å; S79-G83 PolarHBondContact O-N 2.96Å; S79-Y284 WeakPolarHBondContact OG-CE1 3.37Å; S79-Y284 PolarHBondContact OG-OH 2.95Å |
| 80 | F | 92.2 | Very high | 91.5 | Very high | 142 Ų | 142 | 59 Ų | 59 | 62% | 0.623 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -70.1 | -57.4 | -178.3 | -179.9 | -87.1 | 0 | 0 | 0 | 110.4 | P77 V78 L82 G83 F84 | P77-F80 PolarHBondContact O-N 3.36Å; V78-F80 VanDerWaalsContact C-N 3.25Å; V78-F80 PolarHBondContact O-N 2.92Å; F80-L82 PolarHBondContact O-N 2.72Å; F80-G83 PolarHBondContact O-N 3.46Å; F80-F84 AromaticContact CD1-CD2 3.89Å; F80-F84 HydrophobicContact CD1-CD2 3.89Å; F80-F84 HydrophobicContact CD1-CE2 4.01Å; F80-F84 HydrophobicContact CD2-CD2 4.26Å; F80-F84 AromaticContact CD2-CE2 3.63Å; F80-F84 HydrophobicContact CD2-CE2 3.63Å; F80-F84 AromaticContact CE1-CD2 3.67Å; F80-F84 HydrophobicContact CE1-CD2 3.67Å; F80-F84 AromaticContact CE1-CE2 3.61Å; F80-F84 HydrophobicContact CE1-CE2 3.61Å; F80-F84 HydrophobicContact CE2-CD2 4.11Å; F80-F84 AromaticContact CE2-CE2 3.24Å; F80-F84 HydrophobicContact CE2-CE2 3.24Å; F80-F84 HydrophobicContact CE2-CZ 4.01Å; F80-F84 HydrophobicContact CG-CD2 4.18Å; F80-F84 HydrophobicContact CG-CE2 4.01Å; F80-F84 AromaticContact CZ-CD2 3.79Å; F80-F84 HydrophobicContact CZ-CD2 3.79Å; F80-F84 AromaticContact CZ-CE2 3.21Å; F80-F84 HydrophobicContact CZ-CE2 3.21Å; F80-F84 AromaticContact CZ-CZ 3.98Å; F80-F84 HydrophobicContact CZ-CZ 3.98Å; F80-F84 VanDerWaalsContact O-CD2 3.24Å; F80-F84 WeakPolarHBondContact O-CD2 3.42Å; F80-F84 PolarHBondContact O-N 2.95Å; F80-F84 VanDerWaalsContact O-N 3.16Å |
| 81 | V | 91.3 | Very high | 91.7 | Very high | 29 Ų | 29 | 62.4 Ų | 62.4 | 18% | 0.176 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.8 | -38.3 | -177.4 | 62.9 | 0 | 0 | 0 | 0 | 111.4 | V78 Y85 V239 V240 A243 | V78-V81 VanDerWaalsContact O-CG1 3.28Å; V78-V81 WeakPolarHBondContact O-CG1 3.46Å; V78-V81 PolarHBondContact O-N 3.13Å; V81-Y85 VanDerWaalsContact O-CB 3.31Å; V81-Y85 WeakPolarHBondContact O-CB 3.32Å; V81-Y85 PolarHBondContact O-N 3.31Å; V81-Y85 VanDerWaalsContact O-N 3.14Å; V81-V239 HydrophobicContact CG2-CG1 4.45Å; V81-V240 HydrophobicContact CG2-CG2 3.79Å; V81-A243 HydrophobicContact CG1-CB 4.07Å |
| 82 | L | 94.4 | Very high | 92 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -72.5 | -39 | -179.7 | -154.6 | 150.9 | 0 | 0 | 0 | 111.5 | V78 F80 Y85 V86 V240 V244 W287 L288 | V78-L82 HydrophobicContact CG1-CD1 4.1Å; V78-L82 WeakPolarHBondContact O-CB 3.24Å; V78-L82 PolarHBondContact O-N 3.31Å; F80-L82 PolarHBondContact O-N 2.72Å; L82-Y85 PolarHBondContact O-N 3.3Å; L82-V86 HydrophobicContact CD2-CG2 3.59Å; L82-V86 HydrophobicContact CG-CG2 4.35Å; L82-V86 WeakPolarHBondContact O-CB 3.44Å; L82-V86 VanDerWaalsContact O-CG2 3.24Å; L82-V86 WeakPolarHBondContact O-CG2 3.44Å; L82-V86 PolarHBondContact O-N 3.38Å; L82-V240 HydrophobicContact CG-CG1 4.44Å; L82-V244 HydrophobicContact CD1-CG2 3.49Å; L82-V244 VanDerWaalsContact CD1-CG2 3.49Å; L82-W287 HydrophobicContact CD2-CB 3.5Å; L82-W287 HydrophobicContact CD2-CD2 3.12Å; L82-W287 HydrophobicContact CD2-CE3 3.57Å; L82-W287 HydrophobicContact CD2-CG 3.08Å; L82-W287 HydrophobicContact CD2-CZ2 4.34Å; L82-W287 HydrophobicContact CD2-CZ3 4.31Å; L82-W287 HydrophobicContact CG-CD2 4.48Å; L82-L288 HydrophobicContact CD1-CB 4.27Å |
| 83 | G | 95.7 | Very high | 92.5 | Very high | 15 Ų | 15 | 55.7 Ų | 55.7 | 16% | 0.155 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60.2 | -47.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | S79 F80 T87 | S79-G83 PolarHBondContact O-N 2.96Å; F80-G83 PolarHBondContact O-N 3.46Å; G83-T87 WeakPolarHBondContact O-CB 3.4Å; G83-T87 PolarHBondContact O-N 3.06Å; G83-T87 VanDerWaalsContact O-N 3.07Å; G83-T87 PolarHBondContact O-OG1 3.47Å |
| 84 | F | 96.5 | Very high | 93 | Very high | 117 Ų | 117 | 61.2 Ų | 61.2 | 51% | 0.513 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -65.2 | -42.6 | 176.9 | -77 | -74.5 | 0 | 0 | 0 | 112.3 | F80 L88 | F80-F84 AromaticContact CD1-CD2 3.89Å; F80-F84 HydrophobicContact CD1-CD2 3.89Å; F80-F84 HydrophobicContact CD1-CE2 4.01Å; F80-F84 HydrophobicContact CD2-CD2 4.26Å; F80-F84 AromaticContact CD2-CE2 3.63Å; F80-F84 HydrophobicContact CD2-CE2 3.63Å; F80-F84 AromaticContact CE1-CD2 3.67Å; F80-F84 HydrophobicContact CE1-CD2 3.67Å; F80-F84 AromaticContact CE1-CE2 3.61Å; F80-F84 HydrophobicContact CE1-CE2 3.61Å; F80-F84 HydrophobicContact CE2-CD2 4.11Å; F80-F84 AromaticContact CE2-CE2 3.24Å; F80-F84 HydrophobicContact CE2-CE2 3.24Å; F80-F84 HydrophobicContact CE2-CZ 4.01Å; F80-F84 HydrophobicContact CG-CD2 4.18Å; F80-F84 HydrophobicContact CG-CE2 4.01Å; F80-F84 AromaticContact CZ-CD2 3.79Å; F80-F84 HydrophobicContact CZ-CD2 3.79Å; F80-F84 AromaticContact CZ-CE2 3.21Å; F80-F84 HydrophobicContact CZ-CE2 3.21Å; F80-F84 AromaticContact CZ-CZ 3.98Å; F80-F84 HydrophobicContact CZ-CZ 3.98Å; F80-F84 VanDerWaalsContact O-CD2 3.24Å; F80-F84 WeakPolarHBondContact O-CD2 3.42Å; F80-F84 PolarHBondContact O-N 2.95Å; F80-F84 VanDerWaalsContact O-N 3.16Å; F84-L88 PolarHBondContact O-N 3.05Å; F84-L88 VanDerWaalsContact O-N 3.09Å |
| 85 | Y | 97.9 | Very high | 94.1 | Very high | 6 Ų | 6 | 58.8 Ų | 58.8 | 2% | 0.024 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65 | -49.7 | -179.8 | 179.8 | -106 | 0 | 0 | 0 | 112.2 | V81 L82 T87 L88 V89 I232 Y236 T237 V240 A291 | V81-Y85 VanDerWaalsContact O-CB 3.31Å; V81-Y85 WeakPolarHBondContact O-CB 3.32Å; V81-Y85 PolarHBondContact O-N 3.31Å; V81-Y85 VanDerWaalsContact O-N 3.14Å; L82-Y85 PolarHBondContact O-N 3.3Å; Y85-T87 VanDerWaalsContact C-N 3.3Å; Y85-T87 PolarHBondContact O-N 3.25Å; Y85-L88 WeakPolarHBondContact O-CB 3.45Å; Y85-L88 PolarHBondContact O-N 3.42Å; Y85-V89 HydrophobicContact CD1-CG2 4.36Å; Y85-V89 HydrophobicContact CE1-CG2 4.04Å; Y85-V89 HydrophobicContact CE2-CG2 4.45Å; Y85-V89 WeakPolarHBondContact O-CG2 3.4Å; Y85-V89 PolarHBondContact O-N 2.72Å; Y85-I232 HydrophobicContact CE2-CD1 4.37Å; Y85-I232 HydrophobicContact CE2-CG2 3.95Å; Y85-Y236 HydrophobicContact CD2-CD1 4.08Å; Y85-Y236 HydrophobicContact CD2-CD2 4.2Å; Y85-Y236 HydrophobicContact CD2-CE1 4.08Å; Y85-Y236 HydrophobicContact CD2-CE2 4.18Å; Y85-Y236 HydrophobicContact CD2-CG 4.14Å; Y85-Y236 PolarHBondContact N-OH 2.84Å; Y85-T237 WeakPolarHBondContact OH-CG2 3.28Å; Y85-T237 PolarHBondContact OH-OG1 3.39Å; Y85-V240 HydrophobicContact CD1-CB 4.31Å; Y85-V240 HydrophobicContact CD1-CG1 3.92Å; Y85-V240 HydrophobicContact CD1-CG2 4.05Å; Y85-V240 HydrophobicContact CD2-CG2 3.75Å; Y85-V240 HydrophobicContact CE1-CG1 4.47Å; Y85-V240 HydrophobicContact CE2-CG2 4.41Å; Y85-V240 HydrophobicContact CG-CB 4.29Å; Y85-V240 HydrophobicContact CG-CG1 4.22Å; Y85-V240 HydrophobicContact CG-CG2 3.53Å; Y85-A291 HydrophobicContact CD1-CB 3.86Å; Y85-A291 HydrophobicContact CE1-CB 3.5Å; Y85-A291 VanDerWaalsContact CE1-CB 3.5Å |
| 86 | V | 98.1 | Very high | 95 | Very high | 9 Ų | 9 | 53.1 Ų | 53.1 | 6% | 0.055 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.6 | -39.4 | 178.9 | 173.7 | 0 | 0 | 0 | 0 | 110.9 | L82 L88 V89 V90 W287 V290 A291 | L82-V86 HydrophobicContact CD2-CG2 3.59Å; L82-V86 HydrophobicContact CG-CG2 4.35Å; L82-V86 WeakPolarHBondContact O-CB 3.44Å; L82-V86 VanDerWaalsContact O-CG2 3.24Å; L82-V86 WeakPolarHBondContact O-CG2 3.44Å; L82-V86 PolarHBondContact O-N 3.38Å; V86-L88 VanDerWaalsContact C-N 3.33Å; V86-L88 PolarHBondContact O-N 3.06Å; V86-V89 PolarHBondContact O-N 2.83Å; V86-V90 HydrophobicContact CG1-CG2 4.14Å; V86-V90 WeakPolarHBondContact O-CG2 3.38Å; V86-V90 PolarHBondContact O-N 3.34Å; V86-W287 WeakPolarHBondContact CG2-O 3.27Å; V86-V290 HydrophobicContact CG1-CG1 4.08Å; V86-A291 HydrophobicContact CG2-CB 3.95Å |
| 87 | T | 98.3 | Very high | 96 | Very high | 95 Ų | 95 | 55.8 Ų | 55.8 | 58% | 0.583 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -60.7 | -42.6 | 176 | -57.8 | 0 | 0 | 0 | 0 | 111.7 | G83 Y85 V90 H91 | G83-T87 WeakPolarHBondContact O-CB 3.4Å; G83-T87 PolarHBondContact O-N 3.06Å; G83-T87 VanDerWaalsContact O-N 3.07Å; G83-T87 PolarHBondContact O-OG1 3.47Å; Y85-T87 VanDerWaalsContact C-N 3.3Å; Y85-T87 PolarHBondContact O-N 3.25Å; T87-V90 PolarHBondContact O-N 3.27Å; T87-H91 WeakPolarHBondContact O-CB 3.23Å; T87-H91 PolarHBondContact O-N 2.72Å |
| 88 | L | 98.3 | Very high | 96.6 | Very high | 66 Ų | 66 | 55.5 Ų | 55.5 | 35% | 0.346 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -61.5 | -43.8 | 174.7 | 174.8 | 64.4 | 0 | 0 | 0 | 111.7 | F84 Y85 V86 H91 R92 I232 Y236 | F84-L88 PolarHBondContact O-N 3.05Å; F84-L88 VanDerWaalsContact O-N 3.09Å; Y85-L88 WeakPolarHBondContact O-CB 3.45Å; Y85-L88 PolarHBondContact O-N 3.42Å; V86-L88 VanDerWaalsContact C-N 3.33Å; V86-L88 PolarHBondContact O-N 3.06Å; L88-H91 PolarHBondContact O-N 3.01Å; L88-R92 WeakPolarHBondContact O-CG 3.3Å; L88-R92 PolarHBondContact O-N 3.19Å; L88-I232 HydrophobicContact CD2-CD1 4.24Å; L88-I232 HydrophobicContact CD2-CG1 4.37Å; L88-I232 HydrophobicContact CD2-CG2 4.11Å; L88-I232 HydrophobicContact CG-CD1 4.24Å; L88-Y236 HydrophobicContact CD2-CD1 4.15Å; L88-Y236 HydrophobicContact CD2-CE1 3.88Å |
| 89 | V | 98.6 | Very high | 97 | Very high | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.006 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.7 | -50 | 178 | 175.6 | 0 | 0 | 0 | 0 | 110.9 | Y85 V86 H91 R92 W93 I232 A291 L294 | Y85-V89 HydrophobicContact CD1-CG2 4.36Å; Y85-V89 HydrophobicContact CE1-CG2 4.04Å; Y85-V89 HydrophobicContact CE2-CG2 4.45Å; Y85-V89 WeakPolarHBondContact O-CG2 3.4Å; Y85-V89 PolarHBondContact O-N 2.72Å; V86-V89 PolarHBondContact O-N 2.83Å; V89-H91 VanDerWaalsContact C-N 3.29Å; V89-H91 PolarHBondContact O-N 2.69Å; V89-R92 PolarHBondContact O-N 2.84Å; V89-W93 WeakPolarHBondContact O-CB 3.45Å; V89-W93 PolarHBondContact O-N 3.38Å; V89-I232 HydrophobicContact CB-CD1 4.36Å; V89-I232 HydrophobicContact CG2-CD1 3.39Å; V89-A291 HydrophobicContact CB-CB 4.37Å; V89-A291 HydrophobicContact CG1-CB 4.42Å; V89-A291 HydrophobicContact CG2-CB 3.97Å; V89-L294 HydrophobicContact CG1-CB 3.72Å |
| 90 | V | 98.4 | Very high | 97.2 | Very high | 58 Ų | 58 | 54.1 Ų | 54.1 | 35% | 0.352 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -60.3 | -39.8 | 178.9 | 172.3 | 0 | 0 | 0 | 0 | 111.3 | V86 T87 W93 W94 L294 | V86-V90 HydrophobicContact CG1-CG2 4.14Å; V86-V90 WeakPolarHBondContact O-CG2 3.38Å; V86-V90 PolarHBondContact O-N 3.34Å; T87-V90 PolarHBondContact O-N 3.27Å; V90-W93 WeakPolarHBondContact O-CB 3.46Å; V90-W93 PolarHBondContact O-N 2.88Å; V90-W94 PolarHBondContact O-N 3.02Å; V90-L294 HydrophobicContact CG2-CD1 3.91Å |
| 91 | H | 98.5 | Very high | 97.4 | Very high | 113 Ų | 113 | 47.5 Ų | 47.5 | 52% | 0.523 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -62.8 | -45.3 | 176.2 | -175.3 | 73.5 | 0 | 0 | 0 | 112 | T87 L88 V89 N95 | T87-H91 WeakPolarHBondContact O-CB 3.23Å; T87-H91 PolarHBondContact O-N 2.72Å; L88-H91 PolarHBondContact O-N 3.01Å; V89-H91 VanDerWaalsContact C-N 3.29Å; V89-H91 PolarHBondContact O-N 2.69Å; H91-N95 PolarHBondContact CD2-ND2 3.19Å; H91-N95 PolarHBondContact NE2-ND2 2.95Å; H91-N95 VanDerWaalsContact O-CG 3.31Å; H91-N95 PolarHBondContact O-N 3.37Å; H91-N95 VanDerWaalsContact O-N 3.1Å; H91-N95 PolarHBondContact O-ND2 2.97Å |
| 92 | R | 98.5 | Very high | 97.7 | Very high | 39 Ų | 39 | 49.4 Ų | 49.4 | 15% | 0.147 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.8 | -42.5 | 175.1 | -73.5 | 176.6 | 56.9 | 97 | 0.2 | 112.1 | L88 V89 W94 N95 Q96 Y227 I230 | L88-R92 WeakPolarHBondContact O-CG 3.3Å; L88-R92 PolarHBondContact O-N 3.19Å; V89-R92 PolarHBondContact O-N 2.84Å; R92-W94 PolarHBondContact O-N 3.04Å; R92-N95 PolarHBondContact O-N 2.93Å; R92-Q96 WeakPolarHBondContact O-CB 3.17Å; R92-Q96 VanDerWaalsContact O-CG 3.28Å; R92-Q96 WeakPolarHBondContact O-CG 3.5Å; R92-Q96 PolarHBondContact O-N 2.95Å; R92-Q96 PolarHBondContact O-NE2 3.4Å; R92-Y227 HydrophobicContact CB-CE1 4.4Å; R92-Y227 HydrophobicContact CG-CE1 4.18Å; R92-Y227 PolarHBondContact NH2-O 3.48Å; R92-Y227 VanDerWaalsContact NH2-O 3.13Å; R92-I230 PolarHBondContact NH1-O 3.45Å; R92-I230 PolarHBondContact NH2-O 3.28Å |
| 93 | W | 98.6 | Very high | 97.9 | Very high | 59 Ų | 59 | 49.7 Ų | 49.7 | 22% | 0.223 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -54.7 | -50.6 | 176.5 | 167.1 | 86.5 | 0 | 0 | 0 | 111.3 | V89 V90 Q96 Y97 L294 F305 | V89-W93 WeakPolarHBondContact O-CB 3.45Å; V89-W93 PolarHBondContact O-N 3.38Å; V90-W93 WeakPolarHBondContact O-CB 3.46Å; V90-W93 PolarHBondContact O-N 2.88Å; W93-Q96 WeakPolarHBondContact O-CB 3.33Å; W93-Q96 PolarHBondContact O-N 3.44Å; W93-Y97 PolarHBondContact O-N 3.42Å; W93-Y97 VanDerWaalsContact O-N 3.15Å; W93-L294 HydrophobicContact CB-CB 4.24Å; W93-L294 HydrophobicContact CD2-CD2 4.42Å; W93-L294 HydrophobicContact CG-CB 4.24Å; W93-L294 HydrophobicContact CG-CD2 4.15Å; W93-F305 AromaticContact CD1-CZ 3.74Å; W93-F305 HydrophobicContact CD2-CZ 4.42Å; W93-F305 AromaticContact CE2-CE1 3.71Å; W93-F305 AromaticContact CE2-CZ 3.86Å; W93-F305 HydrophobicContact CG-CZ 4.33Å; W93-F305 AromaticContact CZ2-CE1 3.93Å; W93-F305 HydrophobicContact CZ2-CE1 3.93Å; W93-F305 HydrophobicContact CZ2-CZ 4.46Å; W93-F305 AromaticContact NE1-CE1 3.35Å; W93-F305 AromaticContact NE1-CZ 3.39Å |
| 94 | W | 98.5 | Very high | 98 | Very high | 120 Ų | 120 | 51.2 Ų | 51.2 | 46% | 0.455 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -66.1 | -42.5 | -179.8 | -174.3 | -115 | 0 | 0 | 0 | 112.4 | V90 R92 Q96 Y97 L98 | V90-W94 PolarHBondContact O-N 3.02Å; R92-W94 PolarHBondContact O-N 3.04Å; W94-Q96 VanDerWaalsContact C-N 3.3Å; W94-Q96 PolarHBondContact O-N 3.27Å; W94-Y97 HydrophobicContact CE3-CD1 4.13Å; W94-Y97 HydrophobicContact CH2-CD1 4Å; W94-Y97 HydrophobicContact CH2-CE1 4.17Å; W94-Y97 AromaticContact CZ3-CD1 3.71Å; W94-Y97 HydrophobicContact CZ3-CD1 3.71Å; W94-Y97 HydrophobicContact CZ3-CE1 4.14Å; W94-Y97 HydrophobicContact CZ3-CG 4.43Å; W94-Y97 WeakPolarHBondContact O-CB 3.33Å; W94-Y97 PolarHBondContact O-N 2.94Å; W94-Y97 VanDerWaalsContact O-N 3.16Å; W94-L98 HydrophobicContact CZ2-CD2 4.21Å; W94-L98 WeakPolarHBondContact O-CG 3.47Å; W94-L98 PolarHBondContact O-N 3.21Å |
| 95 | N | 98.5 | Very high | 98.1 | Very high | 38 Ų | 38 | 48.2 Ų | 48.2 | 20% | 0.203 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.5 | -34.2 | 177.9 | -69.7 | -16.9 | 0 | 0 | 0 | 112.3 | H91 R92 L98 C99 Y227 | H91-N95 PolarHBondContact CD2-ND2 3.19Å; H91-N95 PolarHBondContact NE2-ND2 2.95Å; H91-N95 VanDerWaalsContact O-CG 3.31Å; H91-N95 PolarHBondContact O-N 3.37Å; H91-N95 VanDerWaalsContact O-N 3.1Å; H91-N95 PolarHBondContact O-ND2 2.97Å; R92-N95 PolarHBondContact O-N 2.93Å; N95-L98 PolarHBondContact O-N 3.32Å; N95-C99 PolarHBondContact O-N 3.38Å; N95-C99 PolarHBondContact O-SG 3.21Å; N95-Y227 HydrophobicContact CB-CE2 4.2Å; N95-Y227 VanDerWaalsContact CB-OH 3.23Å; N95-Y227 WeakPolarHBondContact CB-OH 3.3Å |
| 96 | Q | 98.4 | Very high | 98.1 | Very high | 8 Ų | 8 | 48.1 Ų | 48.1 | 4% | 0.037 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.9 | -42.7 | 172.2 | -76.6 | 175.5 | 100 | 0 | 0 | 111.6 | R92 W93 W94 L98 C99 M100 Y227 F298 F305 | R92-Q96 WeakPolarHBondContact O-CB 3.17Å; R92-Q96 VanDerWaalsContact O-CG 3.28Å; R92-Q96 WeakPolarHBondContact O-CG 3.5Å; R92-Q96 PolarHBondContact O-N 2.95Å; R92-Q96 PolarHBondContact O-NE2 3.4Å; W93-Q96 WeakPolarHBondContact O-CB 3.33Å; W93-Q96 PolarHBondContact O-N 3.44Å; W94-Q96 VanDerWaalsContact C-N 3.3Å; W94-Q96 PolarHBondContact O-N 3.27Å; Q96-L98 PolarHBondContact O-N 3.49Å; Q96-C99 PolarHBondContact O-N 3.3Å; Q96-C99 VanDerWaalsContact O-N 3.16Å; Q96-M100 PolarHBondContact O-N 3.41Å; Q96-Y227 HydrophobicContact CG-CD1 4Å; Q96-Y227 HydrophobicContact CG-CD2 3.49Å; Q96-Y227 VanDerWaalsContact CG-CD2 3.49Å; Q96-Y227 HydrophobicContact CG-CE2 4.1Å; Q96-Y227 HydrophobicContact CG-CG 3.45Å; Q96-Y227 VanDerWaalsContact CG-CG 3.45Å; Q96-F298 HydrophobicContact CB-CE2 4.12Å; Q96-F298 HydrophobicContact CB-CZ 4.34Å; Q96-F298 HydrophobicContact CG-CE2 4.36Å; Q96-F305 HydrophobicContact CB-CE2 4.34Å |
| 97 | Y | 98.2 | Very high | 98.1 | Very high | 107 Ų | 107 | 48.6 Ų | 48.6 | 42% | 0.42 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -59.1 | -44.5 | 173.7 | -179.3 | -105.8 | 0 | 0 | 0 | 112.2 | W93 W94 C99 M100 F305 | W93-Y97 PolarHBondContact O-N 3.42Å; W93-Y97 VanDerWaalsContact O-N 3.15Å; W94-Y97 HydrophobicContact CE3-CD1 4.13Å; W94-Y97 HydrophobicContact CH2-CD1 4Å; W94-Y97 HydrophobicContact CH2-CE1 4.17Å; W94-Y97 AromaticContact CZ3-CD1 3.71Å; W94-Y97 HydrophobicContact CZ3-CD1 3.71Å; W94-Y97 HydrophobicContact CZ3-CE1 4.14Å; W94-Y97 HydrophobicContact CZ3-CG 4.43Å; W94-Y97 WeakPolarHBondContact O-CB 3.33Å; W94-Y97 PolarHBondContact O-N 2.94Å; W94-Y97 VanDerWaalsContact O-N 3.16Å; Y97-C99 PolarHBondContact O-N 3.49Å; Y97-M100 VanDerWaalsContact O-CB 3.23Å; Y97-M100 WeakPolarHBondContact O-CB 3.22Å; Y97-M100 PolarHBondContact O-N 3.33Å; Y97-M100 VanDerWaalsContact O-N 3.1Å; Y97-F305 AromaticContact CD2-CD1 3.99Å; Y97-F305 HydrophobicContact CD2-CD1 3.99Å; Y97-F305 AromaticContact CD2-CE1 3.83Å; Y97-F305 HydrophobicContact CD2-CE1 3.83Å; Y97-F305 HydrophobicContact CD2-CG 4.47Å; Y97-F305 HydrophobicContact CD2-CZ 4.18Å; Y97-F305 HydrophobicContact CG-CE1 4.26Å; Y97-F305 HydrophobicContact CG-CZ 4.31Å |
| 98 | L | 98.1 | Very high | 98.1 | Very high | 90 Ų | 90 | 48 Ų | 48 | 47% | 0.471 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -66.4 | -24.2 | 177.9 | -64.1 | 177.7 | 0 | 0 | 0 | 113.3 | W94 N95 Q96 M100 | W94-L98 HydrophobicContact CZ2-CD2 4.21Å; W94-L98 WeakPolarHBondContact O-CG 3.47Å; W94-L98 PolarHBondContact O-N 3.21Å; N95-L98 PolarHBondContact O-N 3.32Å; Q96-L98 PolarHBondContact O-N 3.49Å; L98-M100 VanDerWaalsContact C-N 3.25Å; L98-M100 PolarHBondContact O-N 3.27Å |
| 99 | C | 97.5 | Very high | 98.1 | Very high | 18 Ų | 18 | 45.2 Ų | 45.2 | 12% | 0.122 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | 4.1 | 175.1 | -65.2 | 0 | 0 | 0 | 0 | 113.4 | N95 Q96 Y97 K220 M223 L224 | N95-C99 PolarHBondContact O-N 3.38Å; N95-C99 PolarHBondContact O-SG 3.21Å; Q96-C99 PolarHBondContact O-N 3.3Å; Q96-C99 VanDerWaalsContact O-N 3.16Å; Y97-C99 PolarHBondContact O-N 3.49Å; C99-K220 WeakPolarHBondContact O-CB 3.37Å; C99-M223 HydrophobicContact CB-CB 4.02Å; C99-M223 WeakPolarHBondContact SG-CB 3.37Å; C99-L224 HydrophobicContact CB-CD2 3.86Å; C99-L224 HydrophobicContact CB-CG 4.21Å |
| 100 | M | 97.6 | Very high | 98.1 | Very high | 6 Ų | 6 | 45.2 Ų | 45.2 | 3% | 0.03 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -62 | 128.5 | 176 | -152 | 66.9 | 172.5 | 0 | 0 | 110.4 | Q96 Y97 L98 L102 L140 F298 T307 L310 | Q96-M100 PolarHBondContact O-N 3.41Å; Y97-M100 VanDerWaalsContact O-CB 3.23Å; Y97-M100 WeakPolarHBondContact O-CB 3.22Å; Y97-M100 PolarHBondContact O-N 3.33Å; Y97-M100 VanDerWaalsContact O-N 3.1Å; L98-M100 VanDerWaalsContact C-N 3.25Å; L98-M100 PolarHBondContact O-N 3.27Å; M100-L102 PolarHBondContact O-N 2.93Å; M100-L140 HydrophobicContact CE-CD1 4.01Å; M100-L140 HydrophobicContact CE-CD2 3.52Å; M100-L140 HydrophobicContact CE-CG 4.44Å; M100-L140 HydrophobicContact SD-CD2 3.87Å; M100-F298 HydrophobicContact CE-CE1 4.44Å; M100-F298 HydrophobicContact SD-CE1 3.99Å; M100-T307 HydrophobicContact CE-CG2 3.46Å; M100-T307 VanDerWaalsContact CE-CG2 3.46Å; M100-L310 HydrophobicContact CE-CB 4.48Å; M100-L310 HydrophobicContact CE-CD1 3.79Å; M100-L310 HydrophobicContact CG-CD1 3.83Å |
| 101 | P | 95.4 | Very high | 98.1 | Very high | 3 Ų | 3 | 44.1 Ų | 44.1 | 2% | 0.019 | 22% | 0.224 | C | C | . | . | trans | -76 | 94.1 | -176.5 | 29.5 | -35.2 | 0 | 0 | 0 | 110.9 | A136 I139 L140 F217 L224 | P101-A136 HydrophobicContact CB-CB 3.98Å; P101-A136 HydrophobicContact CG-CB 3.64Å; P101-I139 HydrophobicContact CG-CG2 4.43Å; P101-L140 HydrophobicContact CG-CD1 4.44Å; P101-F217 HydrophobicContact CB-CD2 4.31Å; P101-F217 HydrophobicContact CB-CE1 4.24Å; P101-F217 HydrophobicContact CB-CE2 3.68Å; P101-F217 HydrophobicContact CB-CZ 3.66Å; P101-L224 HydrophobicContact CG-CD1 4.45Å | ||
| 102 | L | 97.6 | Very high | 98 | Very high | 69 Ų | 69 | 41 Ų | 41 | 36% | 0.361 | 22% | 0.223 | S | C | . | . | trans | -96.6 | 132.1 | 177.2 | -57.3 | -178.4 | 0 | 0 | 0 | 110.7 | M100 D104 F217 N314 | M100-L102 PolarHBondContact O-N 2.93Å; L102-D104 VanDerWaalsContact C-N 3.32Å; L102-D104 PolarHBondContact O-N 3.17Å; L102-F217 WeakPolarHBondContact O-CD2 3.43Å; L102-N314 WeakPolarHBondContact CD2-ND2 3.42Å | ||
| 103 | P | 97.7 | Very high | 98 | Very high | 7 Ų | 7 | 39.9 Ų | 39.9 | 5% | 0.045 | 22% | 0.22 | C | C | . | . | trans | -82.1 | -5 | -174.9 | 35 | -38.2 | 0 | 0 | 0 | 114.1 | A105 L106 M107 M129 N314 | P103-A105 PolarHBondContact O-N 3.2Å; P103-L106 CarbonylContact O-C 3.07Å; P103-L106 WeakPolarHBondContact O-CA 3.15Å; P103-L106 PolarHBondContact O-N 3.34Å; P103-M107 PolarHBondContact O-N 3.19Å; P103-M129 HydrophobicContact CB-CE 3.57Å; P103-N314 HydrophobicContact CG-CB 3.74Å | ||
| 104 | D | 98.3 | Very high | 98 | Very high | 46 Ų | 46 | 37 Ų | 37 | 25% | 0.246 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.8 | -40 | -164.3 | -60.6 | -121 | 0 | 0 | 0 | 114.3 | L102 M107 C108 R313 | L102-D104 VanDerWaalsContact C-N 3.32Å; L102-D104 PolarHBondContact O-N 3.17Å; D104-M107 HydrophobicContact CB-CE 3.98Å; D104-M107 VanDerWaalsContact O-CG 3.27Å; D104-M107 WeakPolarHBondContact O-CG 3.47Å; D104-C108 PolarHBondContact O-N 3.05Å; D104-C108 PolarHBondContact O-SG 3.19Å; D104-R313 VanDerWaalsContact CG-NH1 3.3Å; D104-R313 IonicContact OD1-CZ 2.91Å; D104-R313 IonicContact OD1-NH1 3.29Å; D104-R313 PolarHBondContact OD1-NH1 3.06Å; D104-R313 IonicContact OD1-NH2 3.31Å; D104-R313 PolarHBondContact OD1-NH2 3.05Å; D104-R313 IonicContact OD2-CZ 3.87Å; D104-R313 IonicContact OD2-NH1 2.61Å; D104-R313 PolarHBondContact OD2-NH1 3.34Å; D104-R313 IonicContact OD2-NH2 3.48Å |
| 105 | A | 98.3 | Very high | 98 | Very high | 55 Ų | 55 | 33.3 Ų | 33.3 | 46% | 0.455 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -68.1 | -42.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | P103 C108 A109 E213 | P103-A105 PolarHBondContact O-N 3.2Å; A105-C108 PolarHBondContact O-N 3.29Å; A105-A109 PolarHBondContact O-N 2.99Å; A105-A109 VanDerWaalsContact O-N 3.15Å; A105-E213 VanDerWaalsContact CB-OE2 3.3Å; A105-E213 WeakPolarHBondContact CB-OE2 3.28Å |
| 106 | L | 98.1 | Very high | 97.9 | Very high | 3 Ų | 3 | 32.1 Ų | 32.1 | 2% | 0.016 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -69.5 | -38 | -178.1 | -166.1 | 65.4 | 0 | 0 | 0 | 112.3 | P103 A109 V110 M129 A132 F188 E213 L214 | P103-L106 CarbonylContact O-C 3.07Å; P103-L106 WeakPolarHBondContact O-CA 3.15Å; P103-L106 PolarHBondContact O-N 3.34Å; L106-A109 PolarHBondContact O-N 3.16Å; L106-V110 VanDerWaalsContact O-CG2 3.31Å; L106-V110 WeakPolarHBondContact O-CG2 3.43Å; L106-V110 PolarHBondContact O-N 3.07Å; L106-M129 HydrophobicContact CB-CE 4.42Å; L106-M129 HydrophobicContact CG-SD 4.37Å; L106-A132 HydrophobicContact CD2-CB 3.59Å; L106-F188 HydrophobicContact CD1-CE1 4.49Å; L106-F188 HydrophobicContact CD1-CE2 4.46Å; L106-F188 HydrophobicContact CD1-CZ 3.86Å; L106-F188 HydrophobicContact CD2-CE2 3.73Å; L106-F188 HydrophobicContact CD2-CZ 3.98Å; L106-F188 HydrophobicContact CG-CE2 4.23Å; L106-F188 HydrophobicContact CG-CZ 4.07Å; L106-E213 HydrophobicContact CD1-CB 3.68Å; L106-L214 HydrophobicContact CD1-CB 4.32Å; L106-L214 HydrophobicContact CD2-CD1 4.29Å |
| 107 | M | 98.3 | Very high | 97.8 | Very high | 20 Ų | 20 | 40.7 Ų | 40.7 | 10% | 0.099 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.8 | -39 | 178.3 | 73.6 | -172.4 | -173.9 | 0 | 0 | 111.6 | P103 D104 V110 V111 M129 V317 A321 V322 | P103-M107 PolarHBondContact O-N 3.19Å; D104-M107 HydrophobicContact CB-CE 3.98Å; D104-M107 VanDerWaalsContact O-CG 3.27Å; D104-M107 WeakPolarHBondContact O-CG 3.47Å; M107-V110 PolarHBondContact O-N 3.1Å; M107-V111 WeakPolarHBondContact O-CG1 3.35Å; M107-V111 PolarHBondContact O-N 3.47Å; M107-M129 HydrophobicContact CB-CE 3.79Å; M107-M129 HydrophobicContact CB-SD 4.03Å; M107-V317 HydrophobicContact CE-CG1 3.96Å; M107-V317 HydrophobicContact SD-CG1 4Å; M107-A321 HydrophobicContact CE-CB 4.48Å; M107-A321 HydrophobicContact CG-CB 4.27Å; M107-A321 HydrophobicContact SD-CB 3.9Å; M107-V322 HydrophobicContact CB-CG1 3.95Å |
| 108 | C | 98.6 | Very high | 97.7 | Very high | 81 Ų | 81 | 39 Ų | 39 | 55% | 0.547 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -62.6 | -42.9 | 173.6 | -69.1 | 0 | 0 | 0 | 0 | 111.4 | D104 A105 V111 G112 | D104-C108 PolarHBondContact O-N 3.05Å; D104-C108 PolarHBondContact O-SG 3.19Å; A105-C108 PolarHBondContact O-N 3.29Å; C108-V111 WeakPolarHBondContact O-CG1 3.37Å; C108-G112 PolarHBondContact O-N 3.37Å |
| 109 | A | 98.3 | Very high | 97.7 | Very high | 9 Ų | 9 | 41 Ų | 41 | 7% | 0.074 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.1 | -43.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | A105 L106 T113 L209 L210 E213 | A105-A109 PolarHBondContact O-N 2.99Å; A105-A109 VanDerWaalsContact O-N 3.15Å; L106-A109 PolarHBondContact O-N 3.16Å; A109-T113 WeakPolarHBondContact O-CB 3.43Å; A109-T113 VanDerWaalsContact O-CG2 3.31Å; A109-T113 WeakPolarHBondContact O-CG2 3.16Å; A109-T113 PolarHBondContact O-N 3.27Å; A109-T113 VanDerWaalsContact O-N 3.13Å; A109-T113 PolarHBondContact O-OG1 2.84Å; A109-L209 HydrophobicContact CB-CG 4.44Å; A109-L210 HydrophobicContact CB-CD2 3.83Å; A109-E213 HydrophobicContact CB-CG 4.35Å |
| 110 | V | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.2 | -48.8 | 179.9 | 169.2 | 0 | 0 | 0 | 0 | 111.9 | L106 M107 G112 T113 V114 R125 L128 M129 F188 L210 V322 | L106-V110 VanDerWaalsContact O-CG2 3.31Å; L106-V110 WeakPolarHBondContact O-CG2 3.43Å; L106-V110 PolarHBondContact O-N 3.07Å; M107-V110 PolarHBondContact O-N 3.1Å; V110-G112 VanDerWaalsContact C-N 3.29Å; V110-G112 PolarHBondContact O-N 3.14Å; V110-T113 PolarHBondContact O-N 2.63Å; V110-V114 HydrophobicContact CG1-CB 4.49Å; V110-V114 HydrophobicContact CG1-CG2 4.24Å; V110-V114 WeakPolarHBondContact O-CB 3.41Å; V110-V114 PolarHBondContact O-N 2.9Å; V110-R125 HydrophobicContact CG1-CB 4.09Å; V110-R125 HydrophobicContact CG1-CG 3.96Å; V110-L128 HydrophobicContact CG1-CD1 4.38Å; V110-L128 HydrophobicContact CG2-CB 4.37Å; V110-L128 HydrophobicContact CG2-CD1 4.46Å; V110-M129 HydrophobicContact CB-SD 4.12Å; V110-M129 HydrophobicContact CG1-CG 4.47Å; V110-M129 HydrophobicContact CG2-SD 3.8Å; V110-F188 HydrophobicContact CG2-CZ 4.06Å; V110-L210 HydrophobicContact CB-CD2 4.37Å; V110-L210 HydrophobicContact CG2-CD2 3.6Å; V110-V322 HydrophobicContact CB-CG1 4.2Å; V110-V322 HydrophobicContact CG1-CB 4.28Å; V110-V322 HydrophobicContact CG1-CG1 3.97Å |
| 111 | V | 98.3 | Very high | 97.8 | Very high | 35 Ų | 35 | 45.4 Ų | 45.4 | 21% | 0.212 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.9 | -36 | -178.6 | 72.3 | 0 | 0 | 0 | 0 | 111.8 | M107 C108 A321 V322 Y326 | M107-V111 WeakPolarHBondContact O-CG1 3.35Å; M107-V111 PolarHBondContact O-N 3.47Å; C108-V111 WeakPolarHBondContact O-CG1 3.37Å; V111-A321 WeakPolarHBondContact CG2-O 3.24Å; V111-V322 HydrophobicContact CB-CG1 4.4Å; V111-Y326 HydrophobicContact CG2-CD2 3.88Å; V111-Y326 HydrophobicContact CG2-CG 4.48Å |
| 112 | G | 97.2 | Very high | 97.9 | Very high | 49 Ų | 49 | 50.4 Ų | 50.4 | 51% | 0.505 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -77.8 | -22.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | C108 V110 H115 | C108-G112 PolarHBondContact O-N 3.37Å; V110-G112 VanDerWaalsContact C-N 3.29Å; V110-G112 PolarHBondContact O-N 3.14Å; G112-H115 PolarHBondContact O-CE1 2.68Å |
| 113 | T | 98.1 | Very high | 97.9 | Very high | 14 Ų | 14 | 52.3 Ų | 52.3 | 9% | 0.086 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -116.1 | -21.6 | -170.6 | 60.9 | 0 | 0 | 0 | 0 | 115.3 | A109 V110 H115 A206 L210 | A109-T113 WeakPolarHBondContact O-CB 3.43Å; A109-T113 VanDerWaalsContact O-CG2 3.31Å; A109-T113 WeakPolarHBondContact O-CG2 3.16Å; A109-T113 PolarHBondContact O-N 3.27Å; A109-T113 VanDerWaalsContact O-N 3.13Å; A109-T113 PolarHBondContact O-OG1 2.84Å; V110-T113 PolarHBondContact O-N 2.63Å; T113-H115 PolarHBondContact O-CD2 3.04Å; T113-A206 HydrophobicContact CG2-CB 3.66Å; T113-L210 WeakPolarHBondContact OG1-CD1 3.24Å |
| 114 | V | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -104 | 101.8 | -176.4 | -176.7 | 0 | 0 | 0 | 0 | 110.1 | V110 R125 L128 I201 L210 | V110-V114 HydrophobicContact CG1-CB 4.49Å; V110-V114 HydrophobicContact CG1-CG2 4.24Å; V110-V114 WeakPolarHBondContact O-CB 3.41Å; V110-V114 PolarHBondContact O-N 2.9Å; V114-R125 HydrophobicContact CB-CG 3.83Å; V114-R125 HydrophobicContact CG1-CG 3.75Å; V114-R125 WeakPolarHBondContact O-CD 3.49Å; V114-R125 PolarHBondContact O-NH1 2.85Å; V114-L128 HydrophobicContact CG1-CD1 4.49Å; V114-L128 HydrophobicContact CG2-CD1 3.82Å; V114-I201 HydrophobicContact CG2-CD1 4.31Å; V114-I201 HydrophobicContact CG2-CG1 4.02Å; V114-L210 HydrophobicContact CG2-CD1 4.06Å |
| 115 | H | 98.1 | Very high | 98 | Very high | 41 Ų | 41 | 50.6 Ų | 50.6 | 19% | 0.19 | 27% | 0.267 | C | S | . | . | trans | -95.2 | 155.7 | -168.9 | -53.9 | -78 | 0 | 0 | 0 | 115 | G112 T113 R200 R202 Y326 | G112-H115 PolarHBondContact O-CE1 2.68Å; T113-H115 PolarHBondContact O-CD2 3.04Å; H115-R200 PolarHBondContact CD2-O 3.36Å; H115-R200 PolarHBondContact N-O 3.06Å; H115-R200 VanDerWaalsContact O-CD 3.32Å; H115-R200 WeakPolarHBondContact O-CD 3.35Å; H115-R202 PolarHBondContact CD2-NE 2.72Å; H115-Y326 WeakPolarHBondContact CA-OH 3.47Å; H115-Y326 WeakPolarHBondContact CB-OH 3.22Å | ||
| 116 | G | 96.6 | Very high | 98 | Very high | 14 Ų | 14 | 52.1 Ų | 52.1 | 14% | 0.144 | 26% | 0.261 | C | S | . | . | trans | 132.2 | 123.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | D118 R125 Y326 | G116-D118 WeakPolarHBondContact CA-OD1 3.48Å; G116-R125 PolarHBondContact O-NH1 3.34Å; G116-R125 PolarHBondContact O-NH2 3.49Å; G116-Y326 PolarHBondContact N-OH 2.83Å | ||
| 117 | R | 96.1 | Very high | 98.1 | Very high | 188 Ų | 188 | 52.9 Ų | 52.9 | 71% | 0.709 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -87.2 | -10.3 | 174.4 | -66.9 | -174.5 | 178.7 | -156.3 | -2.8 | 113 | Y326 D327 | R117-Y326 HydrophobicContact CG-CD1 4.5Å; R117-Y326 HydrophobicContact CG-CE1 3.96Å; R117-D327 IonicContact CZ-OD2 3.93Å; R117-D327 VanDerWaalsContact CZ-OD2 3.23Å; R117-D327 IonicContact NE-OD2 3.28Å; R117-D327 PolarHBondContact NE-OD2 3.36Å; R117-D327 VanDerWaalsContact NH2-CG 3.29Å; R117-D327 PolarHBondContact NH2-O 3.16Å; R117-D327 IonicContact NH2-OD1 3.93Å; R117-D327 IonicContact NH2-OD2 2.84Å; R117-D327 PolarHBondContact NH2-OD2 3.12Å |
| 118 | D | 97.6 | Very high | 98.1 | Very high | 70 Ų | 70 | 51.9 Ų | 51.9 | 37% | 0.374 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -73 | 161.7 | 173.8 | 62.7 | -45.9 | 0 | 0 | 0 | 111.8 | G116 R120 G121 R122 R200 | G116-D118 WeakPolarHBondContact CA-OD1 3.48Å; D118-R120 PolarHBondContact O-N 3.3Å; D118-R120 VanDerWaalsContact O-N 3.07Å; D118-R120 WeakPolarHBondContact OD2-CB 3.22Å; D118-G121 PolarHBondContact O-N 3.26Å; D118-R122 PolarHBondContact O-N 3.45Å; D118-R122 VanDerWaalsContact O-N 3.08Å; D118-R200 IonicContact OD1-CZ 2.8Å; D118-R200 IonicContact OD1-NH1 3.42Å; D118-R200 PolarHBondContact OD1-NH1 3.45Å; D118-R200 IonicContact OD1-NH2 3.21Å; D118-R200 IonicContact OD2-CZ 2.73Å; D118-R200 IonicContact OD2-NH1 3.88Å; D118-R200 PolarHBondContact OD2-NH1 3.21Å; D118-R200 IonicContact OD2-NH2 3.01Å; D118-R200 PolarHBondContact OD2-NH2 3.28Å |
| 119 | D | 97.9 | Very high | 98.1 | Very high | 133 Ų | 133 | 48 Ų | 48 | 71% | 0.711 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -54.1 | -33.6 | -178.6 | -70.1 | -26 | 0 | 0 | 0 | 112.9 | L123 | D119-L123 WeakPolarHBondContact O-CB 3.33Å; D119-L123 PolarHBondContact O-N 2.8Å |
| 120 | R | 97.7 | Very high | 98.1 | Very high | 116 Ų | 116 | 49 Ų | 49 | 44% | 0.438 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -68.1 | -42.7 | 177.1 | -169.1 | -179 | -174.7 | 84.8 | -1.2 | 112 | D118 L123 Y124 E198 | D118-R120 PolarHBondContact O-N 3.3Å; D118-R120 VanDerWaalsContact O-N 3.07Å; D118-R120 WeakPolarHBondContact OD2-CB 3.22Å; R120-L123 PolarHBondContact O-N 2.97Å; R120-Y124 HydrophobicContact CG-CD2 4.12Å; R120-Y124 HydrophobicContact CG-CE2 3.91Å; R120-Y124 VanDerWaalsContact O-CD2 3.24Å; R120-Y124 WeakPolarHBondContact O-CD2 2.72Å; R120-Y124 PolarHBondContact O-N 3Å; R120-E198 IonicContact CZ-OE1 2.87Å; R120-E198 IonicContact CZ-OE2 2.8Å; R120-E198 VanDerWaalsContact CZ-OE2 3.28Å; R120-E198 IonicContact NE-OE2 3.77Å; R120-E198 PolarHBondContact NE-OE2 3.02Å; R120-E198 IonicContact NH2-OE1 2.85Å; R120-E198 PolarHBondContact NH2-OE1 3.18Å; R120-E198 IonicContact NH2-OE2 3.52Å; R120-E198 PolarHBondContact NH2-OE2 3.42Å |
| 121 | G | 97.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.9 | -44.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | D118 L123 Y124 R125 | D118-G121 PolarHBondContact O-N 3.26Å; G121-L123 PolarHBondContact O-N 3.48Å; G121-Y124 WeakPolarHBondContact O-CB 3.43Å; G121-Y124 PolarHBondContact O-N 3.42Å; G121-R125 PolarHBondContact O-N 3.07Å; G121-R125 PolarHBondContact O-NH1 3.27Å |
| 122 | R | 98.4 | Very high | 98.2 | Very high | 109 Ų | 109 | 48.8 Ų | 48.8 | 41% | 0.411 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -57.3 | -46.7 | 171.8 | -179.9 | 177.6 | -176 | -163.8 | 5.9 | 112.1 | D118 Y124 R125 R126 D323 | D118-R122 PolarHBondContact O-N 3.45Å; D118-R122 VanDerWaalsContact O-N 3.08Å; R122-Y124 VanDerWaalsContact C-N 3.34Å; R122-Y124 PolarHBondContact O-N 3.35Å; R122-R125 PolarHBondContact O-N 3.5Å; R122-R126 HydrophobicContact CG-CG 4.37Å; R122-R126 WeakPolarHBondContact O-CB 3.4Å; R122-R126 WeakPolarHBondContact O-CG 3.26Å; R122-R126 PolarHBondContact O-N 3.12Å; R122-D323 WeakPolarHBondContact CD-OD1 3.32Å; R122-D323 VanDerWaalsContact CG-OD1 3.24Å; R122-D323 WeakPolarHBondContact CG-OD1 3.36Å; R122-D323 IonicContact CZ-OD1 3.23Å; R122-D323 IonicContact CZ-OD2 3.81Å; R122-D323 VanDerWaalsContact CZ-OD2 3.22Å; R122-D323 IonicContact NE-OD1 2.69Å; R122-D323 PolarHBondContact NE-OD1 3.41Å; R122-D323 IonicContact NE-OD2 3.34Å; R122-D323 PolarHBondContact NE-OD2 2.87Å; R122-D323 IonicContact NH2-OD1 2.72Å; R122-D323 IonicContact NH2-OD2 2.72Å; R122-D323 PolarHBondContact NH2-OD2 2.96Å |
| 123 | L | 98.5 | Very high | 98.3 | Very high | 109 Ų | 109 | 47.2 Ų | 47.2 | 57% | 0.571 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -61.6 | -39.9 | 179.3 | -174.6 | 65.5 | 0 | 0 | 0 | 112.2 | D119 R120 G121 T127 | D119-L123 WeakPolarHBondContact O-CB 3.33Å; D119-L123 PolarHBondContact O-N 2.8Å; R120-L123 PolarHBondContact O-N 2.97Å; G121-L123 PolarHBondContact O-N 3.48Å; L123-T127 WeakPolarHBondContact O-CB 3.38Å; L123-T127 PolarHBondContact O-N 3.32Å; L123-T127 PolarHBondContact O-OG1 3.2Å |
| 124 | Y | 98.8 | Very high | 98.3 | Very high | 11 Ų | 11 | 46.6 Ų | 46.6 | 4% | 0.043 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.7 | -54.4 | 174.1 | -89.9 | -65.7 | 0 | 0 | 0 | 111.8 | R120 G121 R122 R126 T127 L128 L191 Q194 A195 E198 R200 | R120-Y124 HydrophobicContact CG-CD2 4.12Å; R120-Y124 HydrophobicContact CG-CE2 3.91Å; R120-Y124 VanDerWaalsContact O-CD2 3.24Å; R120-Y124 WeakPolarHBondContact O-CD2 2.72Å; R120-Y124 PolarHBondContact O-N 3Å; G121-Y124 WeakPolarHBondContact O-CB 3.43Å; G121-Y124 PolarHBondContact O-N 3.42Å; R122-Y124 VanDerWaalsContact C-N 3.34Å; R122-Y124 PolarHBondContact O-N 3.35Å; Y124-R126 PolarHBondContact O-N 3.04Å; Y124-T127 PolarHBondContact O-N 3.45Å; Y124-L128 WeakPolarHBondContact O-CB 3.34Å; Y124-L128 VanDerWaalsContact O-CG 3.3Å; Y124-L128 WeakPolarHBondContact O-CG 3.21Å; Y124-L128 PolarHBondContact O-N 3.06Å; Y124-L191 HydrophobicContact CD1-CD1 3.86Å; Y124-L191 HydrophobicContact CD1-CD2 4.41Å; Y124-L191 HydrophobicContact CD1-CG 3.95Å; Y124-L191 HydrophobicContact CE1-CD1 3.52Å; Y124-L191 HydrophobicContact CE1-CG 4.02Å; Y124-Q194 PolarHBondContact OH-NE2 2.84Å; Y124-A195 HydrophobicContact CD1-CB 3.85Å; Y124-A195 HydrophobicContact CE1-CB 3.78Å; Y124-A195 HydrophobicContact CG-CB 4.39Å; Y124-E198 WeakPolarHBondContact CE2-OE2 3.28Å; Y124-E198 PolarHBondContact OH-OE1 3.48Å; Y124-E198 PolarHBondContact OH-OE2 3.43Å; Y124-R200 HydrophobicContact CD2-CG 4.04Å; Y124-R200 HydrophobicContact CE2-CG 3.96Å |
| 125 | R | 98.8 | Very high | 98.3 | Very high | 6 Ų | 6 | 46.6 Ų | 46.6 | 2% | 0.023 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.1 | -49.8 | -178.3 | -74.3 | -166.7 | -59.2 | -82.5 | -0.8 | 112.3 | V110 V114 G116 G121 R122 T127 L128 M129 V322 Y326 | V110-R125 HydrophobicContact CG1-CB 4.09Å; V110-R125 HydrophobicContact CG1-CG 3.96Å; V114-R125 HydrophobicContact CB-CG 3.83Å; V114-R125 HydrophobicContact CG1-CG 3.75Å; V114-R125 WeakPolarHBondContact O-CD 3.49Å; V114-R125 PolarHBondContact O-NH1 2.85Å; G116-R125 PolarHBondContact O-NH1 3.34Å; G116-R125 PolarHBondContact O-NH2 3.49Å; G121-R125 PolarHBondContact O-N 3.07Å; G121-R125 PolarHBondContact O-NH1 3.27Å; R122-R125 PolarHBondContact O-N 3.5Å; R125-T127 PolarHBondContact O-N 3.05Å; R125-L128 PolarHBondContact O-N 3.18Å; R125-M129 PolarHBondContact O-N 3.08Å; R125-M129 VanDerWaalsContact O-N 3.16Å; R125-V322 HydrophobicContact CB-CB 4.01Å; R125-V322 HydrophobicContact CB-CG2 4.01Å; R125-V322 WeakPolarHBondContact CD-O 3.26Å; R125-V322 PolarHBondContact NE-O 2.84Å; R125-Y326 VanDerWaalsContact CZ-CD1 3.41Å |
| 126 | R | 98.8 | Very high | 98.3 | Very high | 86 Ų | 86 | 45 Ų | 45 | 33% | 0.325 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -63 | -41.3 | 178.8 | -67.2 | 179.3 | 68.3 | 76.8 | 8.9 | 112.2 | R122 Y124 M129 R130 M319 D323 | R122-R126 HydrophobicContact CG-CG 4.37Å; R122-R126 WeakPolarHBondContact O-CB 3.4Å; R122-R126 WeakPolarHBondContact O-CG 3.26Å; R122-R126 PolarHBondContact O-N 3.12Å; Y124-R126 PolarHBondContact O-N 3.04Å; R126-M129 PolarHBondContact O-N 3.22Å; R126-R130 WeakPolarHBondContact O-CB 3.45Å; R126-R130 PolarHBondContact O-N 3.3Å; R126-M319 HydrophobicContact CB-SD 4.16Å; R126-M319 HydrophobicContact CG-SD 4.31Å; R126-M319 WeakPolarHBondContact O-CE 3.49Å; R126-D323 WeakPolarHBondContact CD-OD2 3.18Å; R126-D323 HydrophobicContact CG-CB 4.29Å; R126-D323 IonicContact CZ-OD2 3.98Å; R126-D323 IonicContact NE-OD2 2.94Å; R126-D323 IonicContact NH1-OD2 2.85Å; R126-D323 PolarHBondContact NH1-OD2 3.25Å |
| 127 | T | 98.9 | Very high | 98.4 | Very high | 19 Ų | 19 | 44.4 Ų | 44.4 | 12% | 0.117 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -70 | -40.4 | -179.1 | -57.1 | 0 | 0 | 0 | 0 | 112 | L123 Y124 R125 R130 Y131 L191 | L123-T127 WeakPolarHBondContact O-CB 3.38Å; L123-T127 PolarHBondContact O-N 3.32Å; L123-T127 PolarHBondContact O-OG1 3.2Å; Y124-T127 PolarHBondContact O-N 3.45Å; R125-T127 PolarHBondContact O-N 3.05Å; T127-R130 PolarHBondContact O-N 3.5Å; T127-Y131 HydrophobicContact CG2-CD2 4.29Å; T127-Y131 HydrophobicContact CG2-CE1 4.05Å; T127-Y131 HydrophobicContact CG2-CE2 3.8Å; T127-Y131 PolarHBondContact O-N 2.85Å; T127-L191 HydrophobicContact CG2-CD2 3.58Å |
| 128 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -57.3 | -50.5 | 173.7 | -74.8 | 169.7 | 0 | 0 | 0 | 110.8 | V110 V114 Y124 R125 R130 Y131 A132 F188 L191 A192 | V110-L128 HydrophobicContact CG1-CD1 4.38Å; V110-L128 HydrophobicContact CG2-CB 4.37Å; V110-L128 HydrophobicContact CG2-CD1 4.46Å; V114-L128 HydrophobicContact CG1-CD1 4.49Å; V114-L128 HydrophobicContact CG2-CD1 3.82Å; Y124-L128 WeakPolarHBondContact O-CB 3.34Å; Y124-L128 VanDerWaalsContact O-CG 3.3Å; Y124-L128 WeakPolarHBondContact O-CG 3.21Å; Y124-L128 PolarHBondContact O-N 3.06Å; R125-L128 PolarHBondContact O-N 3.18Å; L128-R130 VanDerWaalsContact C-N 3.33Å; L128-R130 PolarHBondContact O-N 3.35Å; L128-Y131 PolarHBondContact O-N 2.61Å; L128-A132 PolarHBondContact O-N 3.39Å; L128-F188 HydrophobicContact CB-CD2 4.1Å; L128-F188 HydrophobicContact CB-CE2 3.64Å; L128-F188 HydrophobicContact CB-CZ 4.12Å; L128-F188 HydrophobicContact CD2-CD1 3.86Å; L128-F188 HydrophobicContact CD2-CD2 3.83Å; L128-F188 HydrophobicContact CD2-CE1 3.91Å; L128-F188 HydrophobicContact CD2-CE2 3.86Å; L128-F188 HydrophobicContact CD2-CG 3.83Å; L128-F188 HydrophobicContact CD2-CZ 3.9Å; L128-F188 HydrophobicContact CG-CE2 4.32Å; L128-F188 HydrophobicContact CG-CZ 4.46Å; L128-F188 WeakPolarHBondContact O-CD2 3.37Å; L128-F188 VanDerWaalsContact O-CE2 3.26Å; L128-F188 WeakPolarHBondContact O-CE2 3.41Å; L128-L191 HydrophobicContact CD2-CB 4.02Å; L128-L191 HydrophobicContact CD2-CD2 3.89Å; L128-L191 HydrophobicContact CD2-CG 4.09Å; L128-L191 HydrophobicContact CG-CD2 3.96Å; L128-L191 HydrophobicContact CG-CG 4.44Å; L128-A192 HydrophobicContact CD2-CB 4.3Å |
| 129 | M | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -66 | -35.2 | 178.1 | -67.4 | -44.8 | -55.3 | 0 | 0 | 113.1 | P103 L106 M107 V110 R125 R126 Y131 A132 G133 M319 V322 | P103-M129 HydrophobicContact CB-CE 3.57Å; L106-M129 HydrophobicContact CB-CE 4.42Å; L106-M129 HydrophobicContact CG-SD 4.37Å; M107-M129 HydrophobicContact CB-CE 3.79Å; M107-M129 HydrophobicContact CB-SD 4.03Å; V110-M129 HydrophobicContact CB-SD 4.12Å; V110-M129 HydrophobicContact CG1-CG 4.47Å; V110-M129 HydrophobicContact CG2-SD 3.8Å; R125-M129 PolarHBondContact O-N 3.08Å; R125-M129 VanDerWaalsContact O-N 3.16Å; R126-M129 PolarHBondContact O-N 3.22Å; M129-Y131 VanDerWaalsContact C-N 3.33Å; M129-Y131 PolarHBondContact O-N 3.18Å; M129-A132 PolarHBondContact O-N 3.23Å; M129-G133 PolarHBondContact O-N 3.3Å; M129-M319 HydrophobicContact CB-CE 4.19Å; M129-V322 HydrophobicContact CB-CG2 4.37Å; M129-V322 HydrophobicContact CG-CB 4.22Å; M129-V322 HydrophobicContact CG-CG1 3.53Å; M129-V322 HydrophobicContact CG-CG2 3.77Å; M129-V322 HydrophobicContact SD-CG1 4.25Å |
| 130 | R | 98.8 | Very high | 98.7 | Very high | 29 Ų | 29 | 26.3 Ų | 26.3 | 11% | 0.109 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -65 | -36.2 | 175 | -170.7 | 172.4 | 56 | 70.7 | 3.5 | 112 | R126 T127 L128 G133 L134 F162 E167 F315 M319 | R126-R130 WeakPolarHBondContact O-CB 3.45Å; R126-R130 PolarHBondContact O-N 3.3Å; T127-R130 PolarHBondContact O-N 3.5Å; L128-R130 VanDerWaalsContact C-N 3.33Å; L128-R130 PolarHBondContact O-N 3.35Å; R130-G133 PolarHBondContact O-N 3.42Å; R130-L134 WeakPolarHBondContact O-CB 3.44Å; R130-L134 PolarHBondContact O-N 3.02Å; R130-F162 WeakPolarHBondContact CD-O 3.46Å; R130-F162 VanDerWaalsContact CG-O 3.27Å; R130-F162 WeakPolarHBondContact CG-O 3.4Å; R130-F162 PolarHBondContact NH1-O 3.35Å; R130-E167 IonicContact CZ-OE1 3.4Å; R130-E167 IonicContact CZ-OE2 3.55Å; R130-E167 IonicContact NH1-OE1 2.69Å; R130-E167 PolarHBondContact NH1-OE1 3.45Å; R130-E167 IonicContact NH1-OE2 2.71Å; R130-E167 PolarHBondContact NH1-OE2 3.37Å; R130-E167 IonicContact NH2-OE1 3.55Å; R130-E167 PolarHBondContact NH2-OE1 3.49Å; R130-E167 IonicContact NH2-OE2 3.48Å; R130-E167 PolarHBondContact NH2-OE2 2.94Å; R130-F315 HydrophobicContact CB-CE2 4.5Å; R130-F315 HydrophobicContact CG-CE2 4.08Å; R130-F315 HydrophobicContact CG-CZ 4.45Å; R130-M319 HydrophobicContact CB-CE 3.7Å; R130-M319 HydrophobicContact CG-CE 4.44Å |
| 131 | Y | 98.9 | Very high | 98.7 | Very high | 30 Ų | 30 | 22.6 Ų | 22.6 | 12% | 0.118 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -65.3 | -40.5 | 174.4 | -71.6 | -21.6 | 0 | 0 | 0 | 112.8 | T127 L128 M129 L134 S135 E167 P184 W187 F188 L191 | T127-Y131 HydrophobicContact CG2-CD2 4.29Å; T127-Y131 HydrophobicContact CG2-CE1 4.05Å; T127-Y131 HydrophobicContact CG2-CE2 3.8Å; T127-Y131 PolarHBondContact O-N 2.85Å; L128-Y131 PolarHBondContact O-N 2.61Å; M129-Y131 VanDerWaalsContact C-N 3.33Å; M129-Y131 PolarHBondContact O-N 3.18Å; Y131-L134 PolarHBondContact O-N 3.21Å; Y131-S135 PolarHBondContact O-N 3.12Å; Y131-E167 VanDerWaalsContact CE1-OE1 3.29Å; Y131-E167 WeakPolarHBondContact CE1-OE1 3.45Å; Y131-E167 PolarHBondContact OH-OE1 3.2Å; Y131-P184 VanDerWaalsContact O-CB 3.23Å; Y131-P184 WeakPolarHBondContact O-CB 3.27Å; Y131-W187 HydrophobicContact CD1-CE3 4.07Å; Y131-W187 HydrophobicContact CD2-CB 3.85Å; Y131-W187 HydrophobicContact CE1-CB 4.36Å; Y131-W187 AromaticContact CE1-CE3 3.73Å; Y131-W187 HydrophobicContact CE1-CE3 3.73Å; Y131-W187 HydrophobicContact CE1-CZ3 4.43Å; Y131-W187 HydrophobicContact CE2-CB 3.61Å; Y131-W187 HydrophobicContact CG-CB 4.32Å; Y131-F188 HydrophobicContact CD2-CB 4.35Å; Y131-L191 HydrophobicContact CD2-CD2 4.26Å; Y131-L191 HydrophobicContact CE2-CB 4.26Å; Y131-L191 HydrophobicContact CE2-CD2 3.8Å |
| 132 | A | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -62.8 | -47.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | L106 L128 M129 L134 S135 A136 F217 | L106-A132 HydrophobicContact CD2-CB 3.59Å; L128-A132 PolarHBondContact O-N 3.39Å; M129-A132 PolarHBondContact O-N 3.23Å; A132-L134 VanDerWaalsContact C-N 3.32Å; A132-L134 PolarHBondContact O-N 3.07Å; A132-S135 WeakPolarHBondContact O-CB 3.43Å; A132-S135 PolarHBondContact O-N 3.35Å; A132-A136 PolarHBondContact O-N 3.3Å; A132-F217 HydrophobicContact CB-CE1 4.19Å; A132-F217 HydrophobicContact CB-CZ 4.15Å; A132-F217 WeakPolarHBondContact O-CE1 3.47Å; A132-F217 VanDerWaalsContact O-CZ 3.29Å; A132-F217 WeakPolarHBondContact O-CZ 3.49Å |
| 133 | G | 98.6 | Very high | 98.7 | Very high | 17 Ų | 17 | 19.7 Ų | 19.7 | 18% | 0.175 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -60 | -39.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | M129 R130 A136 V137 | M129-G133 PolarHBondContact O-N 3.3Å; R130-G133 PolarHBondContact O-N 3.42Å; G133-A136 WeakPolarHBondContact O-CB 3.4Å; G133-A136 PolarHBondContact O-N 2.91Å; G133-V137 WeakPolarHBondContact O-CG2 3.4Å; G133-V137 PolarHBondContact O-N 2.83Å |
| 134 | L | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -65 | -43.7 | 176.9 | 179.4 | 58.9 | 0 | 0 | 0 | 111.5 | R130 Y131 A132 A136 V137 L138 V157 F162 M163 P184 W187 | R130-L134 WeakPolarHBondContact O-CB 3.44Å; R130-L134 PolarHBondContact O-N 3.02Å; Y131-L134 PolarHBondContact O-N 3.21Å; A132-L134 VanDerWaalsContact C-N 3.32Å; A132-L134 PolarHBondContact O-N 3.07Å; L134-A136 VanDerWaalsContact C-N 3.34Å; L134-A136 PolarHBondContact O-N 2.82Å; L134-V137 PolarHBondContact O-N 2.92Å; L134-L138 HydrophobicContact CD1-CD1 4.4Å; L134-L138 HydrophobicContact CD1-CG 4.21Å; L134-L138 HydrophobicContact CG-CD1 4.26Å; L134-L138 HydrophobicContact CG-CG 4.49Å; L134-L138 WeakPolarHBondContact O-CB 3.35Å; L134-L138 VanDerWaalsContact O-CG 3.25Å; L134-L138 WeakPolarHBondContact O-CG 3.14Å; L134-L138 PolarHBondContact O-N 2.61Å; L134-V157 HydrophobicContact CD1-CG1 3.56Å; L134-F162 HydrophobicContact CD1-CB 4.02Å; L134-M163 HydrophobicContact CD1-CB 3.95Å; L134-M163 HydrophobicContact CD1-CE 3.99Å; L134-M163 HydrophobicContact CD2-CB 4.12Å; L134-M163 HydrophobicContact CD2-CE 3.9Å; L134-M163 HydrophobicContact CD2-CG 4.19Å; L134-M163 HydrophobicContact CG-CE 4.39Å; L134-P184 HydrophobicContact CB-CB 4.3Å; L134-P184 HydrophobicContact CB-CG 4.21Å; L134-P184 HydrophobicContact CD2-CB 4.2Å; L134-P184 HydrophobicContact CD2-CG 3.74Å; L134-P184 HydrophobicContact CG-CB 4.28Å; L134-P184 HydrophobicContact CG-CG 3.7Å; L134-W187 HydrophobicContact CD2-CZ3 4.23Å |
| 135 | S | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -58.3 | -46.4 | 173.7 | -179.2 | 0 | 0 | 0 | 0 | 111.4 | Y131 A132 V137 L138 I139 Y181 C185 | Y131-S135 PolarHBondContact O-N 3.12Å; A132-S135 WeakPolarHBondContact O-CB 3.43Å; A132-S135 PolarHBondContact O-N 3.35Å; S135-V137 PolarHBondContact O-N 3.49Å; S135-L138 PolarHBondContact O-N 3.35Å; S135-I139 WeakPolarHBondContact O-CG2 3.34Å; S135-I139 PolarHBondContact O-N 3.4Å; S135-Y181 PolarHBondContact OG-O 3.17Å; S135-Y181 VanDerWaalsContact OG-O 3.04Å; S135-C185 PolarHBondContact OG-SG 3.16Å |
| 136 | A | 98.7 | Very high | 98.6 | Very high | 9 Ų | 9 | 17.7 Ų | 17.7 | 7% | 0.074 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -58.3 | -47 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | P101 A132 G133 L134 L138 I139 L140 F217 | P101-A136 HydrophobicContact CB-CB 3.98Å; P101-A136 HydrophobicContact CG-CB 3.64Å; A132-A136 PolarHBondContact O-N 3.3Å; G133-A136 WeakPolarHBondContact O-CB 3.4Å; G133-A136 PolarHBondContact O-N 2.91Å; L134-A136 VanDerWaalsContact C-N 3.34Å; L134-A136 PolarHBondContact O-N 2.82Å; A136-L138 VanDerWaalsContact C-N 3.34Å; A136-L138 PolarHBondContact O-N 3.44Å; A136-I139 VanDerWaalsContact O-CG2 3.23Å; A136-I139 WeakPolarHBondContact O-CG2 3.37Å; A136-I139 PolarHBondContact O-N 2.92Å; A136-L140 VanDerWaalsContact O-CB 3.23Å; A136-L140 WeakPolarHBondContact O-CB 3.48Å; A136-L140 WeakPolarHBondContact O-CG 3.25Å; A136-L140 PolarHBondContact O-N 2.74Å; A136-F217 HydrophobicContact CB-CZ 3.96Å |
| 137 | V | 98.8 | Very high | 98.6 | Very high | 1 Ų | 1 | 13.6 Ų | 13.6 | 1% | 0.006 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -62.4 | -42.1 | 178 | 170.1 | 0 | 0 | 0 | 0 | 111.2 | G133 L134 S135 L140 R141 F151 V157 F162 I311 | G133-V137 WeakPolarHBondContact O-CG2 3.4Å; G133-V137 PolarHBondContact O-N 2.83Å; L134-V137 PolarHBondContact O-N 2.92Å; S135-V137 PolarHBondContact O-N 3.49Å; V137-L140 PolarHBondContact O-N 3.48Å; V137-R141 WeakPolarHBondContact O-CB 3.46Å; V137-R141 VanDerWaalsContact O-CG 3.26Å; V137-R141 WeakPolarHBondContact O-CG 3.48Å; V137-R141 PolarHBondContact O-N 2.9Å; V137-F151 HydrophobicContact CG1-CD2 3.98Å; V137-F151 HydrophobicContact CG1-CE2 4.12Å; V137-F151 HydrophobicContact CG1-CG 4.48Å; V137-V157 HydrophobicContact CG1-CG1 4.27Å; V137-V157 HydrophobicContact CG1-CG2 4.35Å; V137-F162 HydrophobicContact CG2-CD1 3.83Å; V137-F162 HydrophobicContact CG2-CD2 4.3Å; V137-F162 HydrophobicContact CG2-CE1 3.78Å; V137-F162 HydrophobicContact CG2-CE2 4.27Å; V137-F162 HydrophobicContact CG2-CG 4.1Å; V137-F162 HydrophobicContact CG2-CZ 4.02Å; V137-I311 HydrophobicContact CG2-CD1 4.33Å; V137-I311 HydrophobicContact CG2-CG1 4.35Å; V137-I311 HydrophobicContact CG2-CG2 3.85Å |
| 138 | L | 98.8 | Very high | 98.6 | Very high | 6 Ų | 6 | 17.6 Ų | 17.6 | 3% | 0.031 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -65.1 | -39.8 | 180 | -70.7 | 177.3 | 0 | 0 | 0 | 112.8 | L134 S135 A136 R141 S142 I154 F171 P184 | L134-L138 HydrophobicContact CD1-CD1 4.4Å; L134-L138 HydrophobicContact CD1-CG 4.21Å; L134-L138 HydrophobicContact CG-CD1 4.26Å; L134-L138 HydrophobicContact CG-CG 4.49Å; L134-L138 WeakPolarHBondContact O-CB 3.35Å; L134-L138 VanDerWaalsContact O-CG 3.25Å; L134-L138 WeakPolarHBondContact O-CG 3.14Å; L134-L138 PolarHBondContact O-N 2.61Å; S135-L138 PolarHBondContact O-N 3.35Å; A136-L138 VanDerWaalsContact C-N 3.34Å; A136-L138 PolarHBondContact O-N 3.44Å; L138-R141 VanDerWaalsContact O-CG 3.27Å; L138-R141 WeakPolarHBondContact O-CG 3.49Å; L138-S142 PolarHBondContact O-OG 3.27Å; L138-I154 HydrophobicContact CD2-CD1 3.94Å; L138-F171 HydrophobicContact CD1-CE2 3.88Å; L138-F171 HydrophobicContact CD1-CZ 4.12Å; L138-P184 HydrophobicContact CD1-CG 3.86Å |
| 139 | I | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -73 | -43.4 | 174.3 | -173.2 | 60.8 | 0 | 0 | 0 | 111.4 | P101 S135 A136 R141 S142 V143 Y181 C221 L224 F225 | P101-I139 HydrophobicContact CG-CG2 4.43Å; S135-I139 WeakPolarHBondContact O-CG2 3.34Å; S135-I139 PolarHBondContact O-N 3.4Å; A136-I139 VanDerWaalsContact O-CG2 3.23Å; A136-I139 WeakPolarHBondContact O-CG2 3.37Å; A136-I139 PolarHBondContact O-N 2.92Å; I139-R141 PolarHBondContact O-N 3.24Å; I139-S142 WeakPolarHBondContact O-CA 3.44Å; I139-S142 VanDerWaalsContact O-CB 3.27Å; I139-S142 WeakPolarHBondContact O-CB 3.38Å; I139-S142 PolarHBondContact O-N 3.17Å; I139-V143 HydrophobicContact CD1-CG1 4.13Å; I139-V143 PolarHBondContact O-N 2.98Å; I139-V143 VanDerWaalsContact O-N 3.15Å; I139-Y181 HydrophobicContact CB-CD2 4.23Å; I139-Y181 HydrophobicContact CB-CG 4.21Å; I139-Y181 HydrophobicContact CD1-CD1 4.14Å; I139-Y181 HydrophobicContact CD1-CD2 4.47Å; I139-Y181 HydrophobicContact CD1-CE1 4.37Å; I139-Y181 HydrophobicContact CD1-CG 4.2Å; I139-C221 HydrophobicContact CB-CB 4.43Å; I139-C221 HydrophobicContact CG1-CB 4.5Å; I139-C221 WeakPolarHBondContact CG1-O 3.44Å; I139-C221 HydrophobicContact CG2-CB 4.02Å; I139-L224 HydrophobicContact CG1-CB 4.09Å; I139-F225 HydrophobicContact CD1-CB 3.83Å; I139-F225 HydrophobicContact CD1-CD2 4.08Å; I139-F225 HydrophobicContact CD1-CG 4.45Å |
| 140 | L | 98.8 | Very high | 98.6 | Very high | 5 Ų | 5 | 27.9 Ų | 27.9 | 3% | 0.026 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -64.7 | -38.4 | -178.2 | -73.1 | 174 | 0 | 0 | 0 | 112.6 | M100 P101 A136 V137 S142 V143 S144 V147 L224 T307 I311 | M100-L140 HydrophobicContact CE-CD1 4.01Å; M100-L140 HydrophobicContact CE-CD2 3.52Å; M100-L140 HydrophobicContact CE-CG 4.44Å; M100-L140 HydrophobicContact SD-CD2 3.87Å; P101-L140 HydrophobicContact CG-CD1 4.44Å; A136-L140 VanDerWaalsContact O-CB 3.23Å; A136-L140 WeakPolarHBondContact O-CB 3.48Å; A136-L140 WeakPolarHBondContact O-CG 3.25Å; A136-L140 PolarHBondContact O-N 2.74Å; V137-L140 PolarHBondContact O-N 3.48Å; L140-S142 PolarHBondContact O-N 3.29Å; L140-V143 PolarHBondContact O-N 2.99Å; L140-S144 WeakPolarHBondContact O-CA 3.49Å; L140-S144 VanDerWaalsContact O-CB 3.25Å; L140-S144 WeakPolarHBondContact O-CB 3.49Å; L140-S144 PolarHBondContact O-N 3.21Å; L140-V147 HydrophobicContact CB-CB 4.49Å; L140-V147 HydrophobicContact CB-CG1 4.14Å; L140-V147 HydrophobicContact CB-CG2 4.25Å; L140-L224 HydrophobicContact CD2-CD1 4.01Å; L140-T307 HydrophobicContact CD2-CG2 4.5Å; L140-I311 HydrophobicContact CB-CD1 4.32Å; L140-I311 HydrophobicContact CD1-CD1 3.87Å; L140-I311 HydrophobicContact CD1-CG1 3.68Å |
| 141 | R | 98.6 | Very high | 98.6 | Very high | 37 Ų | 37 | 26.7 Ų | 26.7 | 14% | 0.14 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -67.8 | -15.3 | 172.3 | 73.7 | -177.8 | -68.1 | -81.2 | -5.4 | 113.6 | V137 L138 I139 V147 F148 F151 P152 | V137-R141 WeakPolarHBondContact O-CB 3.46Å; V137-R141 VanDerWaalsContact O-CG 3.26Å; V137-R141 WeakPolarHBondContact O-CG 3.48Å; V137-R141 PolarHBondContact O-N 2.9Å; L138-R141 VanDerWaalsContact O-CG 3.27Å; L138-R141 WeakPolarHBondContact O-CG 3.49Å; I139-R141 PolarHBondContact O-N 3.24Å; R141-V147 HydrophobicContact CB-CG1 3.89Å; R141-F148 WeakPolarHBondContact O-CB 3.43Å; R141-F148 WeakPolarHBondContact O-CD2 3.29Å; R141-F151 PolarHBondContact NE-O 2.71Å; R141-F151 PolarHBondContact NH2-O 3.45Å; R141-P152 VanDerWaalsContact NH2-C 3.26Å; R141-P152 PolarHBondContact NH2-O 2.96Å |
| 142 | S | 98.4 | Very high | 98.6 | Very high | 42 Ų | 42 | 27.6 Ų | 27.6 | 29% | 0.294 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -86.2 | -35.7 | 177.3 | -55.3 | 0 | 0 | 0 | 0 | 111.7 | L138 I139 L140 N179 | L138-S142 PolarHBondContact O-OG 3.27Å; I139-S142 WeakPolarHBondContact O-CA 3.44Å; I139-S142 VanDerWaalsContact O-CB 3.27Å; I139-S142 WeakPolarHBondContact O-CB 3.38Å; I139-S142 PolarHBondContact O-N 3.17Å; L140-S142 PolarHBondContact O-N 3.29Å; S142-N179 PolarHBondContact OG-ND2 2.87Å |
| 143 | V | 98.4 | Very high | 98.5 | Very high | 6 Ų | 6 | 30.5 Ų | 30.5 | 4% | 0.036 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -103.4 | -20.4 | -174.7 | -52.7 | 0 | 0 | 0 | 0 | 113.8 | I139 L140 D228 F298 | I139-V143 HydrophobicContact CD1-CG1 4.13Å; I139-V143 PolarHBondContact O-N 2.98Å; I139-V143 VanDerWaalsContact O-N 3.15Å; L140-V143 PolarHBondContact O-N 2.99Å; V143-D228 HydrophobicContact CB-CB 4.11Å; V143-D228 HydrophobicContact CG1-CB 3.59Å; V143-F298 HydrophobicContact CG2-CD2 4.4Å; V143-F298 HydrophobicContact CG2-CG 4.36Å; V143-F298 WeakPolarHBondContact O-CB 3.21Å |
| 144 | S | 98.6 | Very high | 98.5 | Very high | 2 Ų | 2 | 31.2 Ų | 31.2 | 1% | 0.014 | 16% | 0.161 | C | C | . | . | trans | -112.3 | 123.6 | -178 | -178.8 | 0 | 0 | 0 | 0 | 112.5 | L140 V147 F148 F298 T307 | L140-S144 WeakPolarHBondContact O-CA 3.49Å; L140-S144 VanDerWaalsContact O-CB 3.25Å; L140-S144 WeakPolarHBondContact O-CB 3.49Å; L140-S144 PolarHBondContact O-N 3.21Å; S144-V147 PolarHBondContact O-N 3.01Å; S144-F148 WeakPolarHBondContact O-CB 3.46Å; S144-F148 PolarHBondContact O-N 2.89Å; S144-F298 VanDerWaalsContact CA-O 3.27Å; S144-F298 WeakPolarHBondContact CA-O 3.28Å; S144-F298 PolarHBondContact OG-O 3.4Å; S144-T307 PolarHBondContact OG-OG1 2.96Å | ||
| 145 | T | 97.9 | Very high | 98.5 | Very high | 64 Ų | 64 | 33.4 Ų | 33.4 | 39% | 0.393 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -66.3 | -38.9 | 176.9 | 59.4 | 0 | 0 | 0 | 0 | 111.5 | V147 F148 K149 F298 G299 | T145-V147 VanDerWaalsContact C-N 3.31Å; T145-V147 PolarHBondContact O-N 3.43Å; T145-F148 PolarHBondContact O-N 3.2Å; T145-K149 WeakPolarHBondContact O-CB 3.42Å; T145-K149 WeakPolarHBondContact O-CG 3.25Å; T145-K149 PolarHBondContact O-N 3.22Å; T145-F298 PolarHBondContact N-O 2.87Å; T145-F298 VanDerWaalsContact N-O 3.12Å; T145-G299 WeakPolarHBondContact OG1-CA 3Å |
| 146 | A | 97.6 | Very high | 98.5 | Very high | 19 Ų | 19 | 37.1 Ų | 37.1 | 16% | 0.157 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.3 | -38.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | E300 N308 | A146-E300 HydrophobicContact CB-CG 4.06Å; A146-N308 PolarHBondContact O-ND2 3.29Å |
| 147 | V | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -78.7 | -38.6 | 177 | -176.8 | 0 | 0 | 0 | 0 | 111.1 | L140 R141 S144 T145 K149 R150 F151 T307 I311 | L140-V147 HydrophobicContact CB-CB 4.49Å; L140-V147 HydrophobicContact CB-CG1 4.14Å; L140-V147 HydrophobicContact CB-CG2 4.25Å; R141-V147 HydrophobicContact CB-CG1 3.89Å; S144-V147 PolarHBondContact O-N 3.01Å; T145-V147 VanDerWaalsContact C-N 3.31Å; T145-V147 PolarHBondContact O-N 3.43Å; V147-K149 VanDerWaalsContact C-N 3.31Å; V147-K149 PolarHBondContact O-N 3.21Å; V147-R150 WeakPolarHBondContact O-CB 3.41Å; V147-R150 PolarHBondContact O-N 3.26Å; V147-R150 VanDerWaalsContact O-N 3.08Å; V147-F151 HydrophobicContact CG1-CD2 3.73Å; V147-F151 HydrophobicContact CG1-CE2 4.13Å; V147-F151 PolarHBondContact O-N 3.16Å; V147-T307 WeakPolarHBondContact CG2-OG1 3.33Å; V147-I311 HydrophobicContact CB-CD1 4.46Å; V147-I311 HydrophobicContact CG1-CD1 3.63Å; V147-I311 HydrophobicContact CG2-CD1 3.89Å |
| 148 | F | 98.6 | Very high | 98.5 | Very high | 102 Ų | 102 | 37.2 Ų | 37.2 | 45% | 0.447 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -59.6 | -42.3 | 176 | -178 | -98.3 | 0 | 0 | 0 | 111.7 | R141 S144 T145 R150 F151 P152 | R141-F148 WeakPolarHBondContact O-CB 3.43Å; R141-F148 WeakPolarHBondContact O-CD2 3.29Å; S144-F148 WeakPolarHBondContact O-CB 3.46Å; S144-F148 PolarHBondContact O-N 2.89Å; T145-F148 PolarHBondContact O-N 3.2Å; F148-R150 PolarHBondContact O-N 3.06Å; F148-F151 CarbonylContact O-C 3.56Å; F148-F151 PolarHBondContact O-N 3.33Å; F148-F151 VanDerWaalsContact O-N 3.16Å; F148-P152 VanDerWaalsContact O-CA 3.26Å; F148-P152 WeakPolarHBondContact O-CA 3.41Å; F148-P152 WeakPolarHBondContact O-CD 3.33Å; F148-P152 WeakPolarHBondContact O-CG 3.43Å |
| 149 | K | 98.5 | Very high | 98.5 | Very high | 126 Ų | 126 | 43.2 Ų | 43.2 | 55% | 0.548 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -61.8 | -31.4 | 174.9 | -76.6 | 173.8 | 171.6 | -179.9 | 0 | 113 | T145 V147 E300 | T145-K149 WeakPolarHBondContact O-CB 3.42Å; T145-K149 WeakPolarHBondContact O-CG 3.25Å; T145-K149 PolarHBondContact O-N 3.22Å; V147-K149 VanDerWaalsContact C-N 3.31Å; V147-K149 PolarHBondContact O-N 3.21Å; K149-E300 VanDerWaalsContact CD-OE1 3.28Å; K149-E300 WeakPolarHBondContact CD-OE1 3.23Å; K149-E300 IonicContact NZ-OE1 3.42Å; K149-E300 PolarHBondContact NZ-OE1 3.27Å; K149-E300 IonicContact NZ-OE2 3.42Å; K149-E300 PolarHBondContact NZ-OE2 3.3Å |
| 150 | R | 98.5 | Very high | 98.4 | Very high | 90 Ų | 90 | 45.4 Ų | 45.4 | 34% | 0.34 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -76.4 | -36 | 173.6 | -173 | 180 | 178.5 | -177.6 | 0.3 | 112.4 | V147 F148 N308 D312 | V147-R150 WeakPolarHBondContact O-CB 3.41Å; V147-R150 PolarHBondContact O-N 3.26Å; V147-R150 VanDerWaalsContact O-N 3.08Å; F148-R150 PolarHBondContact O-N 3.06Å; R150-N308 WeakPolarHBondContact CD-OD1 3.21Å; R150-D312 IonicContact CZ-OD1 3.59Å; R150-D312 VanDerWaalsContact CZ-OD1 3.29Å; R150-D312 IonicContact CZ-OD2 3.56Å; R150-D312 VanDerWaalsContact NH1-CG 3.31Å; R150-D312 IonicContact NH1-OD1 2.71Å; R150-D312 PolarHBondContact NH1-OD1 3.47Å; R150-D312 IonicContact NH1-OD2 3.98Å; R150-D312 PolarHBondContact NH1-OD2 2.8Å; R150-D312 IonicContact NH2-OD1 2.79Å; R150-D312 PolarHBondContact NH2-OD1 3.29Å; R150-D312 IonicContact NH2-OD2 3.7Å; R150-D312 PolarHBondContact NH2-OD2 2.87Å |
| 151 | F | 98.6 | Very high | 98.4 | Very high | 4 Ų | 4 | 47.2 Ų | 47.2 | 2% | 0.018 | 26% | 0.255 | C | S | . | . | trans | -126.9 | 68.2 | -179.8 | -50.9 | -66.3 | 0 | 0 | 0 | 113.1 | V137 R141 V147 F148 T153 H156 V157 A160 F162 I311 | V137-F151 HydrophobicContact CG1-CD2 3.98Å; V137-F151 HydrophobicContact CG1-CE2 4.12Å; V137-F151 HydrophobicContact CG1-CG 4.48Å; R141-F151 PolarHBondContact NE-O 2.71Å; R141-F151 PolarHBondContact NH2-O 3.45Å; V147-F151 HydrophobicContact CG1-CD2 3.73Å; V147-F151 HydrophobicContact CG1-CE2 4.13Å; V147-F151 PolarHBondContact O-N 3.16Å; F148-F151 CarbonylContact O-C 3.56Å; F148-F151 PolarHBondContact O-N 3.33Å; F148-F151 VanDerWaalsContact O-N 3.16Å; F151-T153 VanDerWaalsContact C-N 3.28Å; F151-T153 PolarHBondContact O-N 2.97Å; F151-H156 HydrophobicContact CB-CB 4.47Å; F151-H156 HydrophobicContact CD1-CB 4.27Å; F151-V157 HydrophobicContact CB-CG2 3.92Å; F151-V157 HydrophobicContact CD1-CG2 4.47Å; F151-V157 HydrophobicContact CG-CG2 4.3Å; F151-A160 HydrophobicContact CD1-CB 4.39Å; F151-A160 HydrophobicContact CE1-CB 3.63Å; F151-A160 HydrophobicContact CZ-CB 4.49Å; F151-F162 HydrophobicContact CE1-CD2 4.48Å; F151-F162 HydrophobicContact CE1-CE2 4.2Å; F151-F162 HydrophobicContact CZ-CD2 4.4Å; F151-F162 AromaticContact CZ-CE2 3.79Å; F151-F162 HydrophobicContact CZ-CE2 3.79Å; F151-I311 HydrophobicContact CE2-CD1 4.37Å | ||
| 152 | P | 98.5 | Very high | 98.4 | Very high | 49 Ų | 49 | 45.8 Ų | 45.8 | 32% | 0.318 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -65.8 | -31.2 | -174.1 | -23.2 | 34.7 | 0 | 0 | 0 | 113.3 | R141 F148 | R141-P152 VanDerWaalsContact NH2-C 3.26Å; R141-P152 PolarHBondContact NH2-O 2.96Å; F148-P152 VanDerWaalsContact O-CA 3.26Å; F148-P152 WeakPolarHBondContact O-CA 3.41Å; F148-P152 WeakPolarHBondContact O-CD 3.33Å; F148-P152 WeakPolarHBondContact O-CG 3.43Å |
| 153 | T | 98.4 | Very high | 98.4 | Very high | 62 Ų | 62 | 43.9 Ų | 43.9 | 38% | 0.38 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -128 | 164.2 | 179.1 | 71.3 | 0 | 0 | 0 | 0 | 111.2 | F151 D155 H156 | F151-T153 VanDerWaalsContact C-N 3.28Å; F151-T153 PolarHBondContact O-N 2.97Å; T153-D155 PolarHBondContact O-N 3.08Å; T153-D155 WeakPolarHBondContact OG1-CB 3.24Å; T153-D155 PolarHBondContact OG1-N 3.42Å; T153-H156 WeakPolarHBondContact O-CB 3.16Å; T153-H156 PolarHBondContact O-N 3.12Å; T153-H156 VanDerWaalsContact O-N 3.16Å; T153-H156 PolarHBondContact OG1-ND1 2.95Å |
| 154 | I | 98.4 | Very high | 98.4 | Very high | 31 Ų | 31 | 46.5 Ų | 46.5 | 16% | 0.159 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.5 | -28 | 174.6 | -59.1 | -57.6 | 0 | 0 | 0 | 111.4 | L138 H156 V157 V158 M163 R168 F171 | L138-I154 HydrophobicContact CD2-CD1 3.94Å; I154-H156 VanDerWaalsContact C-N 3.32Å; I154-H156 PolarHBondContact O-N 3.39Å; I154-V157 WeakPolarHBondContact O-CB 3.28Å; I154-V157 PolarHBondContact O-N 3.43Å; I154-V157 VanDerWaalsContact O-N 3.12Å; I154-V158 WeakPolarHBondContact O-CG2 3.47Å; I154-V158 PolarHBondContact O-N 2.96Å; I154-M163 HydrophobicContact CG2-CE 4.25Å; I154-M163 HydrophobicContact CG2-SD 3.85Å; I154-R168 HydrophobicContact CG2-CG 4.06Å; I154-F171 HydrophobicContact CD1-CE1 4.3Å; I154-F171 HydrophobicContact CG1-CE1 4.48Å |
| 155 | D | 98.4 | Very high | 98.4 | Very high | 47 Ų | 47 | 52.3 Ų | 52.3 | 25% | 0.251 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -55.9 | -44.3 | 171 | -84.8 | -69.9 | 0 | 0 | 0 | 112.7 | T153 V157 V158 E159 R165 R168 | T153-D155 PolarHBondContact O-N 3.08Å; T153-D155 WeakPolarHBondContact OG1-CB 3.24Å; T153-D155 PolarHBondContact OG1-N 3.42Å; D155-V157 VanDerWaalsContact C-N 3.26Å; D155-V157 PolarHBondContact O-N 2.94Å; D155-V158 WeakPolarHBondContact O-CA 3.36Å; D155-V158 WeakPolarHBondContact O-CB 3.37Å; D155-V158 PolarHBondContact O-N 3.32Å; D155-E159 WeakPolarHBondContact O-CG 3.19Å; D155-E159 PolarHBondContact O-N 2.87Å; D155-R165 IonicContact OD1-CZ 2.72Å; D155-R165 IonicContact OD1-NH1 2.69Å; D155-R165 PolarHBondContact OD1-NH1 3.17Å; D155-R168 IonicContact OD1-CZ 3.34Å; D155-R168 IonicContact OD1-NH1 3.63Å; D155-R168 PolarHBondContact OD1-NH1 3.44Å; D155-R168 IonicContact OD1-NH2 3.45Å; D155-R168 IonicContact OD2-CZ 3.41Å; D155-R168 IonicContact OD2-NH1 2.64Å; D155-R168 PolarHBondContact OD2-NH1 3.4Å; D155-R168 IonicContact OD2-NH2 2.67Å; D155-R168 PolarHBondContact OD2-NH2 3.3Å |
| 156 | H | 98.8 | Very high | 98.4 | Very high | 77 Ų | 77 | 55.3 Ų | 55.3 | 36% | 0.356 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63.8 | -34.4 | 177.7 | -66.2 | 81 | 0 | 0 | 0 | 111.8 | F151 T153 I154 V158 A160 | F151-H156 HydrophobicContact CB-CB 4.47Å; F151-H156 HydrophobicContact CD1-CB 4.27Å; T153-H156 WeakPolarHBondContact O-CB 3.16Å; T153-H156 PolarHBondContact O-N 3.12Å; T153-H156 VanDerWaalsContact O-N 3.16Å; T153-H156 PolarHBondContact OG1-ND1 2.95Å; I154-H156 VanDerWaalsContact C-N 3.32Å; I154-H156 PolarHBondContact O-N 3.39Å; H156-V158 VanDerWaalsContact C-N 3.3Å; H156-A160 WeakPolarHBondContact O-CB 3.5Å; H156-A160 PolarHBondContact O-N 3.29Å |
| 157 | V | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -67.3 | -35.1 | 174.9 | -177 | 0 | 0 | 0 | 0 | 110.9 | L134 V137 F151 I154 D155 F162 M163 | L134-V157 HydrophobicContact CD1-CG1 3.56Å; V137-V157 HydrophobicContact CG1-CG1 4.27Å; V137-V157 HydrophobicContact CG1-CG2 4.35Å; F151-V157 HydrophobicContact CB-CG2 3.92Å; F151-V157 HydrophobicContact CD1-CG2 4.47Å; F151-V157 HydrophobicContact CG-CG2 4.3Å; I154-V157 WeakPolarHBondContact O-CB 3.28Å; I154-V157 PolarHBondContact O-N 3.43Å; I154-V157 VanDerWaalsContact O-N 3.12Å; D155-V157 VanDerWaalsContact C-N 3.26Å; D155-V157 PolarHBondContact O-N 2.94Å; V157-F162 HydrophobicContact CG1-CB 3.84Å; V157-F162 PolarHBondContact O-N 3.14Å; V157-M163 HydrophobicContact CG1-CB 4.21Å; V157-M163 PolarHBondContact O-N 3.26Å |
| 158 | V | 98.6 | Very high | 98.4 | Very high | 12 Ų | 12 | 57.7 Ų | 57.7 | 7% | 0.073 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -71.6 | -47.8 | 176 | 172.3 | 0 | 0 | 0 | 0 | 111.6 | I154 D155 H156 A160 G161 M163 R165 R168 | I154-V158 WeakPolarHBondContact O-CG2 3.47Å; I154-V158 PolarHBondContact O-N 2.96Å; D155-V158 WeakPolarHBondContact O-CA 3.36Å; D155-V158 WeakPolarHBondContact O-CB 3.37Å; D155-V158 PolarHBondContact O-N 3.32Å; H156-V158 VanDerWaalsContact C-N 3.3Å; V158-A160 VanDerWaalsContact C-N 3.27Å; V158-A160 PolarHBondContact O-N 3.47Å; V158-G161 PolarHBondContact O-N 3.43Å; V158-M163 VanDerWaalsContact CA-O 3.23Å; V158-M163 WeakPolarHBondContact CA-O 3.28Å; V158-M163 WeakPolarHBondContact CG1-O 3.46Å; V158-M163 HydrophobicContact CG2-CB 3.86Å; V158-M163 HydrophobicContact CG2-CG 4Å; V158-M163 HydrophobicContact CG2-SD 3.99Å; V158-R165 HydrophobicContact CG1-CG 3.96Å; V158-R168 HydrophobicContact CG2-CB 4Å; V158-R168 HydrophobicContact CG2-CG 4.43Å |
| 159 | E | 98.3 | Very high | 98.4 | Very high | 132 Ų | 132 | 58.9 Ų | 58.9 | 62% | 0.617 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -64.1 | -33.6 | 179.9 | -72.4 | 169.1 | -169.1 | 0 | 0 | 112.3 | D155 G161 R165 | D155-E159 WeakPolarHBondContact O-CG 3.19Å; D155-E159 PolarHBondContact O-N 2.87Å; E159-G161 PolarHBondContact O-N 3.42Å; E159-R165 IonicContact OE1-NH2 2.83Å; E159-R165 PolarHBondContact OE1-NH2 2.91Å |
| 160 | A | 97.9 | Very high | 98.4 | Very high | 47 Ų | 47 | 59.5 Ų | 59.5 | 39% | 0.388 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -5.1 | 173 | 0 | 0 | 0 | 0 | 0 | 114.1 | F151 H156 V158 F162 | F151-A160 HydrophobicContact CD1-CB 4.39Å; F151-A160 HydrophobicContact CE1-CB 3.63Å; F151-A160 HydrophobicContact CZ-CB 4.49Å; H156-A160 WeakPolarHBondContact O-CB 3.5Å; H156-A160 PolarHBondContact O-N 3.29Å; V158-A160 VanDerWaalsContact C-N 3.27Å; V158-A160 PolarHBondContact O-N 3.47Å; A160-F162 HydrophobicContact CB-CD2 3.82Å; A160-F162 HydrophobicContact CB-CE2 3.99Å |
| 161 | G | 97.9 | Very high | 98.3 | Very high | 42 Ų | 42 | 55.9 Ų | 55.9 | 43% | 0.433 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.8 | 6.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | V158 E159 | V158-G161 PolarHBondContact O-N 3.43Å; E159-G161 PolarHBondContact O-N 3.42Å |
| 162 | F | 98.5 | Very high | 98.2 | Very high | 8 Ų | 8 | 60.2 Ų | 60.2 | 4% | 0.035 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -75.5 | -33.2 | 174.4 | -66.8 | -78.5 | 0 | 0 | 0 | 112.1 | R130 L134 V137 F151 V157 A160 I311 F315 | R130-F162 WeakPolarHBondContact CD-O 3.46Å; R130-F162 VanDerWaalsContact CG-O 3.27Å; R130-F162 WeakPolarHBondContact CG-O 3.4Å; R130-F162 PolarHBondContact NH1-O 3.35Å; L134-F162 HydrophobicContact CD1-CB 4.02Å; V137-F162 HydrophobicContact CG2-CD1 3.83Å; V137-F162 HydrophobicContact CG2-CD2 4.3Å; V137-F162 HydrophobicContact CG2-CE1 3.78Å; V137-F162 HydrophobicContact CG2-CE2 4.27Å; V137-F162 HydrophobicContact CG2-CG 4.1Å; V137-F162 HydrophobicContact CG2-CZ 4.02Å; F151-F162 HydrophobicContact CE1-CD2 4.48Å; F151-F162 HydrophobicContact CE1-CE2 4.2Å; F151-F162 HydrophobicContact CZ-CD2 4.4Å; F151-F162 AromaticContact CZ-CE2 3.79Å; F151-F162 HydrophobicContact CZ-CE2 3.79Å; V157-F162 HydrophobicContact CG1-CB 3.84Å; V157-F162 PolarHBondContact O-N 3.14Å; A160-F162 HydrophobicContact CB-CD2 3.82Å; A160-F162 HydrophobicContact CB-CE2 3.99Å; F162-I311 HydrophobicContact CE1-CG2 4.05Å; F162-I311 HydrophobicContact CE2-CG2 4.31Å; F162-I311 HydrophobicContact CZ-CG2 3.5Å; F162-F315 AromaticContact CD1-CD2 3.8Å; F162-F315 HydrophobicContact CD1-CD2 3.8Å; F162-F315 AromaticContact CD1-CE2 3.8Å; F162-F315 HydrophobicContact CD1-CE2 3.8Å; F162-F315 HydrophobicContact CD1-CG 4.35Å; F162-F315 HydrophobicContact CD1-CZ 4.36Å; F162-F315 HydrophobicContact CE1-CB 3.99Å; F162-F315 HydrophobicContact CE1-CD1 4.24Å; F162-F315 AromaticContact CE1-CD2 3.5Å; F162-F315 HydrophobicContact CE1-CD2 3.5Å; F162-F315 VanDerWaalsContact CE1-CD2 3.5Å; F162-F315 AromaticContact CE1-CE2 3.95Å; F162-F315 HydrophobicContact CE1-CE2 3.95Å; F162-F315 AromaticContact CE1-CG 3.65Å; F162-F315 HydrophobicContact CE1-CG 3.65Å; F162-F315 HydrophobicContact CE1-CZ 4.49Å; F162-F315 HydrophobicContact CZ-CG 4.35Å |
| 163 | M | 98.6 | Very high | 98.2 | Very high | 2 Ų | 2 | 63.7 Ų | 63.7 | 1% | 0.01 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -125.2 | 138.9 | 179.8 | -172.3 | -174.5 | -74.8 | 0 | 0 | 110.1 | L134 I154 V157 V158 E167 R168 F171 | L134-M163 HydrophobicContact CD1-CB 3.95Å; L134-M163 HydrophobicContact CD1-CE 3.99Å; L134-M163 HydrophobicContact CD2-CB 4.12Å; L134-M163 HydrophobicContact CD2-CE 3.9Å; L134-M163 HydrophobicContact CD2-CG 4.19Å; L134-M163 HydrophobicContact CG-CE 4.39Å; I154-M163 HydrophobicContact CG2-CE 4.25Å; I154-M163 HydrophobicContact CG2-SD 3.85Å; V157-M163 HydrophobicContact CG1-CB 4.21Å; V157-M163 PolarHBondContact O-N 3.26Å; V158-M163 VanDerWaalsContact CA-O 3.23Å; V158-M163 WeakPolarHBondContact CA-O 3.28Å; V158-M163 WeakPolarHBondContact CG1-O 3.46Å; V158-M163 HydrophobicContact CG2-CB 3.86Å; V158-M163 HydrophobicContact CG2-CG 4Å; V158-M163 HydrophobicContact CG2-SD 3.99Å; M163-E167 HydrophobicContact CG-CB 3.83Å; M163-R168 HydrophobicContact CG-CB 4.5Å; M163-R168 VanDerWaalsContact SD-CA 3.55Å; M163-R168 HydrophobicContact SD-CB 3.72Å; M163-R168 HydrophobicContact SD-CG 4.31Å; M163-F171 HydrophobicContact CE-CB 4.36Å; M163-F171 HydrophobicContact CE-CD1 4.39Å; M163-F171 HydrophobicContact CE-CD2 4.07Å; M163-F171 HydrophobicContact CE-CE2 4.42Å; M163-F171 HydrophobicContact CE-CG 4.04Å |
| 164 | T | 98.6 | Very high | 98.1 | Very high | 61 Ų | 61 | 64.1 Ų | 64.1 | 37% | 0.374 | 32% | 0.32 | S | S | . | . | trans | -84.3 | 162.3 | 172.5 | 65.7 | 0 | 0 | 0 | 0 | 111.2 | E166 E167 R168 | T164-E166 VanDerWaalsContact C-N 3.3Å; T164-E166 PolarHBondContact O-N 3.43Å; T164-E167 PolarHBondContact N-OE2 2.97Å; T164-E167 PolarHBondContact O-N 3.28Å; T164-E167 WeakPolarHBondContact OG1-CB 3.26Å; T164-E167 VanDerWaalsContact OG1-CG 3.23Å; T164-E167 WeakPolarHBondContact OG1-CG 3.02Å; T164-E167 PolarHBondContact OG1-N 2.9Å; T164-E167 PolarHBondContact OG1-OE2 2.9Å; T164-R168 PolarHBondContact O-N 3.04Å | ||
| 165 | R | 98.2 | Very high | 98 | Very high | 123 Ų | 123 | 70.8 Ų | 70.8 | 46% | 0.464 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -61.3 | -37.2 | 177.4 | -65.6 | -78 | 173.8 | -167.3 | -3.9 | 112.3 | D155 V158 E159 R168 K169 | D155-R165 IonicContact OD1-CZ 2.72Å; D155-R165 IonicContact OD1-NH1 2.69Å; D155-R165 PolarHBondContact OD1-NH1 3.17Å; V158-R165 HydrophobicContact CG1-CG 3.96Å; E159-R165 IonicContact OE1-NH2 2.83Å; E159-R165 PolarHBondContact OE1-NH2 2.91Å; R165-R168 WeakPolarHBondContact O-CB 3.41Å; R165-R168 PolarHBondContact O-N 2.92Å; R165-K169 PolarHBondContact O-N 2.84Å; R165-K169 VanDerWaalsContact O-N 3.14Å |
| 166 | E | 98.1 | Very high | 97.9 | Very high | 127 Ų | 127 | 70.5 Ų | 70.5 | 59% | 0.593 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -69.4 | -38.9 | 176.4 | -67.3 | -54.1 | 132.7 | 0 | 0 | 112.8 | T164 R168 K169 K170 | T164-E166 VanDerWaalsContact C-N 3.3Å; T164-E166 PolarHBondContact O-N 3.43Å; E166-R168 VanDerWaalsContact C-N 3.32Å; E166-K169 PolarHBondContact O-N 2.88Å; E166-K170 PolarHBondContact O-N 3.48Å |
| 167 | E | 98.6 | Very high | 97.8 | Very high | 18 Ų | 18 | 72.1 Ų | 72.1 | 8% | 0.084 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -65.9 | -37.3 | 174 | -75.9 | 159 | 176.8 | 0 | 0 | 111.8 | R130 Y131 M163 T164 K169 K170 F171 W187 | R130-E167 IonicContact CZ-OE1 3.4Å; R130-E167 IonicContact CZ-OE2 3.55Å; R130-E167 IonicContact NH1-OE1 2.69Å; R130-E167 PolarHBondContact NH1-OE1 3.45Å; R130-E167 IonicContact NH1-OE2 2.71Å; R130-E167 PolarHBondContact NH1-OE2 3.37Å; R130-E167 IonicContact NH2-OE1 3.55Å; R130-E167 PolarHBondContact NH2-OE1 3.49Å; R130-E167 IonicContact NH2-OE2 3.48Å; R130-E167 PolarHBondContact NH2-OE2 2.94Å; Y131-E167 VanDerWaalsContact CE1-OE1 3.29Å; Y131-E167 WeakPolarHBondContact CE1-OE1 3.45Å; Y131-E167 PolarHBondContact OH-OE1 3.2Å; M163-E167 HydrophobicContact CG-CB 3.83Å; T164-E167 PolarHBondContact N-OE2 2.97Å; T164-E167 PolarHBondContact O-N 3.28Å; T164-E167 WeakPolarHBondContact OG1-CB 3.26Å; T164-E167 VanDerWaalsContact OG1-CG 3.23Å; T164-E167 WeakPolarHBondContact OG1-CG 3.02Å; T164-E167 PolarHBondContact OG1-N 2.9Å; T164-E167 PolarHBondContact OG1-OE2 2.9Å; E167-K169 VanDerWaalsContact C-N 3.34Å; E167-K169 PolarHBondContact O-N 3.37Å; E167-K170 CarbonylContact O-C 3.58Å; E167-K170 PolarHBondContact O-N 2.73Å; E167-F171 VanDerWaalsContact O-CB 3.25Å; E167-F171 WeakPolarHBondContact O-CB 3.11Å; E167-F171 PolarHBondContact O-N 3.15Å; E167-W187 HydrophobicContact CB-CH2 4.06Å; E167-W187 HydrophobicContact CB-CZ3 3.99Å; E167-W187 HydrophobicContact CG-CZ3 4.16Å; E167-W187 WeakPolarHBondContact O-CH2 3.25Å |
| 168 | R | 98.2 | Very high | 97.8 | Very high | 52 Ų | 52 | 80.6 Ų | 80.6 | 20% | 0.196 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -58.9 | -47.2 | 172.8 | -178.7 | -171.6 | 172.6 | 179.4 | 10.6 | 111.3 | I154 D155 V158 M163 T164 R165 E166 K170 F171 E172 | I154-R168 HydrophobicContact CG2-CG 4.06Å; D155-R168 IonicContact OD1-CZ 3.34Å; D155-R168 IonicContact OD1-NH1 3.63Å; D155-R168 PolarHBondContact OD1-NH1 3.44Å; D155-R168 IonicContact OD1-NH2 3.45Å; D155-R168 IonicContact OD2-CZ 3.41Å; D155-R168 IonicContact OD2-NH1 2.64Å; D155-R168 PolarHBondContact OD2-NH1 3.4Å; D155-R168 IonicContact OD2-NH2 2.67Å; D155-R168 PolarHBondContact OD2-NH2 3.3Å; V158-R168 HydrophobicContact CG2-CB 4Å; V158-R168 HydrophobicContact CG2-CG 4.43Å; M163-R168 HydrophobicContact CG-CB 4.5Å; M163-R168 VanDerWaalsContact SD-CA 3.55Å; M163-R168 HydrophobicContact SD-CB 3.72Å; M163-R168 HydrophobicContact SD-CG 4.31Å; T164-R168 PolarHBondContact O-N 3.04Å; R165-R168 WeakPolarHBondContact O-CB 3.41Å; R165-R168 PolarHBondContact O-N 2.92Å; E166-R168 VanDerWaalsContact C-N 3.32Å; R168-K170 VanDerWaalsContact C-N 3.28Å; R168-K170 PolarHBondContact O-N 3.36Å; R168-F171 WeakPolarHBondContact O-CA 3.5Å; R168-F171 WeakPolarHBondContact O-CB 3.36Å; R168-F171 PolarHBondContact O-N 3.21Å; R168-E172 HydrophobicContact CG-CG 4.25Å; R168-E172 IonicContact CZ-OE1 2.96Å; R168-E172 IonicContact NE-OE1 2.97Å; R168-E172 PolarHBondContact NE-OE1 3.27Å; R168-E172 IonicContact NE-OE2 3.97Å; R168-E172 IonicContact NH2-OE1 2.71Å; R168-E172 PolarHBondContact NH2-OE1 2.89Å; R168-E172 PolarHBondContact O-N 2.92Å |
| 169 | K | 98 | Very high | 97.7 | Very high | 126 Ų | 126 | 82.7 Ų | 82.7 | 55% | 0.548 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -56.4 | -45.2 | 176.6 | -175.7 | 179.3 | 178.7 | -179 | 0 | 111.1 | R165 E166 E167 N173 | R165-K169 PolarHBondContact O-N 2.84Å; R165-K169 VanDerWaalsContact O-N 3.14Å; E166-K169 PolarHBondContact O-N 2.88Å; E167-K169 VanDerWaalsContact C-N 3.34Å; E167-K169 PolarHBondContact O-N 3.37Å; K169-N173 WeakPolarHBondContact O-CB 3.38Å; K169-N173 PolarHBondContact O-N 3.24Å; K169-N173 VanDerWaalsContact O-N 3.13Å; K169-N173 PolarHBondContact O-ND2 3.39Å; K169-N173 PolarHBondContact O-OD1 3.17Å |
| 170 | K | 97.6 | Very high | 97.7 | Very high | 140 Ų | 140 | 78.1 Ų | 78.1 | 61% | 0.609 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -63 | -41.3 | 173.9 | -70.6 | -177.8 | 179.1 | -179.8 | 0 | 112.4 | E166 E167 R168 L174 W187 | E166-K170 PolarHBondContact O-N 3.48Å; E167-K170 CarbonylContact O-C 3.58Å; E167-K170 PolarHBondContact O-N 2.73Å; R168-K170 VanDerWaalsContact C-N 3.28Å; R168-K170 PolarHBondContact O-N 3.36Å; K170-L174 WeakPolarHBondContact O-CG 3.37Å; K170-L174 PolarHBondContact O-N 3.32Å; K170-W187 HydrophobicContact CB-CZ2 4.18Å |
| 171 | F | 98.3 | Very high | 97.8 | Very high | 13 Ų | 13 | 77.2 Ų | 77.2 | 6% | 0.057 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -64.1 | -43 | -179.3 | -174.4 | -98 | 0 | 0 | 0 | 112.2 | L138 I154 M163 E167 R168 K180 V183 W187 | L138-F171 HydrophobicContact CD1-CE2 3.88Å; L138-F171 HydrophobicContact CD1-CZ 4.12Å; I154-F171 HydrophobicContact CD1-CE1 4.3Å; I154-F171 HydrophobicContact CG1-CE1 4.48Å; M163-F171 HydrophobicContact CE-CB 4.36Å; M163-F171 HydrophobicContact CE-CD1 4.39Å; M163-F171 HydrophobicContact CE-CD2 4.07Å; M163-F171 HydrophobicContact CE-CE2 4.42Å; M163-F171 HydrophobicContact CE-CG 4.04Å; E167-F171 VanDerWaalsContact O-CB 3.25Å; E167-F171 WeakPolarHBondContact O-CB 3.11Å; E167-F171 PolarHBondContact O-N 3.15Å; R168-F171 WeakPolarHBondContact O-CA 3.5Å; R168-F171 WeakPolarHBondContact O-CB 3.36Å; R168-F171 PolarHBondContact O-N 3.21Å; F171-K180 HydrophobicContact CE1-CB 4.25Å; F171-K180 HydrophobicContact CE2-CB 3.54Å; F171-K180 HydrophobicContact CZ-CB 3.36Å; F171-K180 HydrophobicContact CZ-CD 4.37Å; F171-K180 HydrophobicContact CZ-CG 4.43Å; F171-K180 PolarHBondContact O-NZ 3.43Å; F171-V183 HydrophobicContact CD2-CB 4.14Å; F171-V183 HydrophobicContact CD2-CG1 3.94Å; F171-V183 HydrophobicContact CE2-CB 4.06Å; F171-V183 HydrophobicContact CE2-CG1 4.37Å; F171-V183 HydrophobicContact CE2-CG2 4.35Å; F171-W187 HydrophobicContact CB-CH2 3.98Å; F171-W187 HydrophobicContact CB-CZ2 4.39Å; F171-W187 HydrophobicContact CD2-CH2 4.19Å |
| 172 | E | 96.5 | Very high | 97.8 | Very high | 95 Ų | 95 | 80 Ų | 80 | 44% | 0.444 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -72.8 | -37 | -179.6 | -72.1 | 178.7 | 170.2 | 0 | 0 | 111.9 | R168 L174 | R168-E172 HydrophobicContact CG-CG 4.25Å; R168-E172 IonicContact CZ-OE1 2.96Å; R168-E172 IonicContact NE-OE1 2.97Å; R168-E172 PolarHBondContact NE-OE1 3.27Å; R168-E172 IonicContact NE-OE2 3.97Å; R168-E172 IonicContact NH2-OE1 2.71Å; R168-E172 PolarHBondContact NH2-OE1 2.89Å; R168-E172 PolarHBondContact O-N 2.92Å; E172-L174 PolarHBondContact O-N 3.36Å |
| 173 | N | 97.5 | Very high | 97.8 | Very high | 123 Ų | 123 | 79.8 Ų | 79.8 | 66% | 0.658 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -68.4 | -13.7 | 177.7 | -69.7 | -10.4 | 0 | 0 | 0 | 114.1 | K169 N175 | K169-N173 WeakPolarHBondContact O-CB 3.38Å; K169-N173 PolarHBondContact O-N 3.24Å; K169-N173 VanDerWaalsContact O-N 3.13Å; K169-N173 PolarHBondContact O-ND2 3.39Å; K169-N173 PolarHBondContact O-OD1 3.17Å; N173-N175 PolarHBondContact O-N 2.81Å |
| 174 | L | 96.8 | Very high | 97.8 | Very high | 71 Ų | 71 | 79.7 Ų | 79.7 | 37% | 0.372 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -73.5 | 108.5 | 171.8 | -68.2 | 171 | 0 | 0 | 0 | 109.9 | K170 E172 S176 K180 V183 | K170-L174 WeakPolarHBondContact O-CG 3.37Å; K170-L174 PolarHBondContact O-N 3.32Å; E172-L174 PolarHBondContact O-N 3.36Å; L174-S176 PolarHBondContact O-N 3.11Å; L174-K180 HydrophobicContact CB-CD 4.45Å; L174-K180 PolarHBondContact O-NZ 3Å; L174-V183 HydrophobicContact CD1-CB 4.42Å; L174-V183 HydrophobicContact CD1-CG1 3.61Å; L174-V183 HydrophobicContact CD1-CG2 3.86Å |
| 175 | N | 96.7 | Very high | 97.8 | Very high | 171 Ų | 171 | 77 Ų | 77 | 91% | 0.914 | 37% | 0.366 | S | S | * | . | trans | -71.6 | 96.9 | 176.9 | -171.6 | 20.5 | 0 | 0 | 0 | 110.6 | N173 | N173-N175 PolarHBondContact O-N 2.81Š| ||
| 176 | S | 96.4 | Very high | 97.8 | Very high | 40 Ų | 40 | 74.6 Ų | 74.6 | 28% | 0.28 | 37% | 0.365 | S | S | . | . | trans | -150.6 | 130.2 | 173.4 | -171.1 | 0 | 0 | 0 | 0 | 109.1 | L174 Y178 | L174-S176 PolarHBondContact O-N 3.11Å; S176-Y178 VanDerWaalsContact C-N 3.28Å; S176-Y178 PolarHBondContact OG-N 3.45Å | ||
| 177 | S | 96.4 | Very high | 97.9 | Very high | 112 Ų | 112 | 70.6 Ų | 70.6 | 78% | 0.783 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -79.2 | -12.7 | 174.1 | 52.9 | 0 | 0 | 0 | 0 | 113 | ||
| 178 | Y | 97.5 | Very high | 97.9 | Very high | 178 Ų | 178 | 69.7 Ų | 69.7 | 70% | 0.698 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -86.7 | 164.1 | -177.8 | -57.6 | -75.2 | 0 | 0 | 0 | 112.1 | S176 K180 | S176-Y178 VanDerWaalsContact C-N 3.28Å; S176-Y178 PolarHBondContact OG-N 3.45Å; Y178-K180 PolarHBondContact O-N 2.97Å |
| 179 | N | 97.7 | Very high | 97.9 | Very high | 56 Ų | 56 | 69.2 Ų | 69.2 | 30% | 0.299 | 35% | 0.345 | S | S | . | . | trans | -60.2 | 129.8 | 174 | -170.3 | -34.6 | 0 | 0 | 0 | 110.5 | S142 Y181 W182 F225 | S142-N179 PolarHBondContact OG-ND2 2.87Å; N179-Y181 HydrophobicContact CB-CD1 4.27Å; N179-Y181 PolarHBondContact OD1-N 3.19Å; N179-W182 PolarHBondContact O-NE1 3.49Å; N179-F225 HydrophobicContact CB-CE2 4.31Å | ||
| 180 | K | 98.4 | Very high | 97.9 | Very high | 36 Ų | 36 | 66.6 Ų | 66.6 | 16% | 0.157 | 34% | 0.343 | C | S | . | . | trans | -97.9 | 20.6 | -172.7 | -70.6 | -170.9 | -76.9 | -169.5 | 0 | 114.2 | F171 L174 Y178 W182 V183 | F171-K180 HydrophobicContact CE1-CB 4.25Å; F171-K180 HydrophobicContact CE2-CB 3.54Å; F171-K180 HydrophobicContact CZ-CB 3.36Å; F171-K180 HydrophobicContact CZ-CD 4.37Å; F171-K180 HydrophobicContact CZ-CG 4.43Å; F171-K180 PolarHBondContact O-NZ 3.43Å; L174-K180 HydrophobicContact CB-CD 4.45Å; L174-K180 PolarHBondContact O-NZ 3Å; Y178-K180 PolarHBondContact O-N 2.97Å; K180-W182 PolarHBondContact O-N 3Å; K180-W182 VanDerWaalsContact O-N 3.1Å; K180-V183 HydrophobicContact CB-CG2 3.8Å; K180-V183 HydrophobicContact CD-CG2 4.36Å; K180-V183 HydrophobicContact CG-CG2 4.15Å; K180-V183 WeakPolarHBondContact O-CB 3.25Å; K180-V183 PolarHBondContact O-N 3.09Å; K180-V183 VanDerWaalsContact O-N 3.08Å | ||
| 181 | Y | 98.4 | Very high | 98 | Very high | 28 Ų | 28 | 61.2 Ų | 61.2 | 11% | 0.11 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -25.3 | 175.6 | 76.1 | -91.9 | 0 | 0 | 0 | 113.6 | S135 I139 N179 P184 C221 F225 | S135-Y181 PolarHBondContact OG-O 3.17Å; S135-Y181 VanDerWaalsContact OG-O 3.04Å; I139-Y181 HydrophobicContact CB-CD2 4.23Å; I139-Y181 HydrophobicContact CB-CG 4.21Å; I139-Y181 HydrophobicContact CD1-CD1 4.14Å; I139-Y181 HydrophobicContact CD1-CD2 4.47Å; I139-Y181 HydrophobicContact CD1-CE1 4.37Å; I139-Y181 HydrophobicContact CD1-CG 4.2Å; N179-Y181 HydrophobicContact CB-CD1 4.27Å; N179-Y181 PolarHBondContact OD1-N 3.19Å; Y181-P184 WeakPolarHBondContact O-CD 3.03Å; Y181-C221 HydrophobicContact CD2-CB 4.1Å; Y181-C221 HydrophobicContact CE2-CB 3.95Å; Y181-F225 HydrophobicContact CE1-CB 4.42Å; Y181-F225 HydrophobicContact CE1-CD2 4.19Å; Y181-F225 HydrophobicContact CE1-CG 4.26Å |
| 182 | W | 98.5 | Very high | 98 | Very high | 101 Ų | 101 | 60.6 Ų | 60.6 | 38% | 0.383 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -17.5 | 179.3 | 58.5 | -93.1 | 0 | 0 | 0 | 114.2 | N179 K180 C185 V186 | N179-W182 PolarHBondContact O-NE1 3.49Å; K180-W182 PolarHBondContact O-N 3Å; K180-W182 VanDerWaalsContact O-N 3.1Å; W182-C185 WeakPolarHBondContact O-CB 3.33Å; W182-C185 PolarHBondContact O-N 3.14Å; W182-C185 VanDerWaalsContact O-N 3.11Å; W182-V186 HydrophobicContact CE3-CG2 3.76Å; W182-V186 HydrophobicContact CZ3-CG2 3.96Å; W182-V186 PolarHBondContact O-N 3.1Å |
| 183 | V | 98.8 | Very high | 98.1 | Very high | 2 Ų | 2 | 57.6 Ų | 57.6 | 1% | 0.012 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59.5 | -47.3 | -173.7 | 168.9 | 0 | 0 | 0 | 0 | 112.5 | F171 L174 K180 C185 V186 W187 | F171-V183 HydrophobicContact CD2-CB 4.14Å; F171-V183 HydrophobicContact CD2-CG1 3.94Å; F171-V183 HydrophobicContact CE2-CB 4.06Å; F171-V183 HydrophobicContact CE2-CG1 4.37Å; F171-V183 HydrophobicContact CE2-CG2 4.35Å; L174-V183 HydrophobicContact CD1-CB 4.42Å; L174-V183 HydrophobicContact CD1-CG1 3.61Å; L174-V183 HydrophobicContact CD1-CG2 3.86Å; K180-V183 HydrophobicContact CB-CG2 3.8Å; K180-V183 HydrophobicContact CD-CG2 4.36Å; K180-V183 HydrophobicContact CG-CG2 4.15Å; K180-V183 WeakPolarHBondContact O-CB 3.25Å; K180-V183 PolarHBondContact O-N 3.09Å; K180-V183 VanDerWaalsContact O-N 3.08Å; V183-C185 PolarHBondContact O-N 3.39Å; V183-V186 WeakPolarHBondContact O-CB 3.46Å; V183-V186 PolarHBondContact O-N 3.07Å; V183-W187 HydrophobicContact CG1-CD2 3.96Å; V183-W187 HydrophobicContact CG1-CE3 4.47Å; V183-W187 HydrophobicContact CG1-CH2 3.99Å; V183-W187 HydrophobicContact CG1-CZ2 3.39Å; V183-W187 HydrophobicContact CG1-CZ3 4.48Å; V183-W187 PolarHBondContact O-N 3.14Å |
| 184 | P | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.7 | -28.1 | 176.6 | -22.1 | 34 | 0 | 0 | 0 | 113.7 | Y131 L134 L138 Y181 V186 W187 F188 | Y131-P184 VanDerWaalsContact O-CB 3.23Å; Y131-P184 WeakPolarHBondContact O-CB 3.27Å; L134-P184 HydrophobicContact CB-CB 4.3Å; L134-P184 HydrophobicContact CB-CG 4.21Å; L134-P184 HydrophobicContact CD2-CB 4.2Å; L134-P184 HydrophobicContact CD2-CG 3.74Å; L134-P184 HydrophobicContact CG-CB 4.28Å; L134-P184 HydrophobicContact CG-CG 3.7Å; L138-P184 HydrophobicContact CD1-CG 3.86Å; Y181-P184 WeakPolarHBondContact O-CD 3.03Å; P184-V186 VanDerWaalsContact C-N 3.32Å; P184-W187 HydrophobicContact CB-CE3 4.35Å; P184-W187 PolarHBondContact O-N 3.35Å; P184-F188 WeakPolarHBondContact O-CB 3.34Å; P184-F188 PolarHBondContact O-N 3.48Å |
| 185 | C | 98.8 | Very high | 98.3 | Very high | 5 Ų | 5 | 51.5 Ų | 51.5 | 3% | 0.034 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65.7 | -37.4 | 173.8 | -60.1 | 0 | 0 | 0 | 0 | 111.2 | S135 W182 V183 F188 S189 R218 | S135-C185 PolarHBondContact OG-SG 3.16Å; W182-C185 WeakPolarHBondContact O-CB 3.33Å; W182-C185 PolarHBondContact O-N 3.14Å; W182-C185 VanDerWaalsContact O-N 3.11Å; V183-C185 PolarHBondContact O-N 3.39Å; C185-F188 WeakPolarHBondContact O-CB 3.38Å; C185-F188 PolarHBondContact O-N 3.42Å; C185-S189 PolarHBondContact O-N 3.05Å; C185-S189 VanDerWaalsContact O-N 3.13Å; C185-S189 PolarHBondContact O-OG 2.71Å; C185-R218 HydrophobicContact CB-CG 4.45Å |
| 186 | V | 98.8 | Very high | 98.3 | Very high | 73 Ų | 73 | 47 Ų | 47 | 44% | 0.442 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -67.8 | -43.2 | 174.4 | 178.5 | 0 | 0 | 0 | 0 | 110.6 | W182 V183 P184 F188 S189 S190 | W182-V186 HydrophobicContact CE3-CG2 3.76Å; W182-V186 HydrophobicContact CZ3-CG2 3.96Å; W182-V186 PolarHBondContact O-N 3.1Å; V183-V186 WeakPolarHBondContact O-CB 3.46Å; V183-V186 PolarHBondContact O-N 3.07Å; P184-V186 VanDerWaalsContact C-N 3.32Å; V186-F188 VanDerWaalsContact C-N 3.29Å; V186-F188 PolarHBondContact O-N 2.8Å; V186-S189 PolarHBondContact O-N 3.34Å; V186-S190 PolarHBondContact O-N 3.19Å; V186-S190 PolarHBondContact O-OG 3.45Å |
| 187 | W | 98.9 | Very high | 98.4 | Very high | 42 Ų | 42 | 53.8 Ų | 53.8 | 16% | 0.159 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.8 | -38.7 | 174.8 | -62.8 | -16.8 | 0 | 0 | 0 | 112.6 | Y131 L134 E167 K170 F171 V183 P184 S190 L191 | Y131-W187 HydrophobicContact CD1-CE3 4.07Å; Y131-W187 HydrophobicContact CD2-CB 3.85Å; Y131-W187 HydrophobicContact CE1-CB 4.36Å; Y131-W187 AromaticContact CE1-CE3 3.73Å; Y131-W187 HydrophobicContact CE1-CE3 3.73Å; Y131-W187 HydrophobicContact CE1-CZ3 4.43Å; Y131-W187 HydrophobicContact CE2-CB 3.61Å; Y131-W187 HydrophobicContact CG-CB 4.32Å; L134-W187 HydrophobicContact CD2-CZ3 4.23Å; E167-W187 HydrophobicContact CB-CH2 4.06Å; E167-W187 HydrophobicContact CB-CZ3 3.99Å; E167-W187 HydrophobicContact CG-CZ3 4.16Å; E167-W187 WeakPolarHBondContact O-CH2 3.25Å; K170-W187 HydrophobicContact CB-CZ2 4.18Å; F171-W187 HydrophobicContact CB-CH2 3.98Å; F171-W187 HydrophobicContact CB-CZ2 4.39Å; F171-W187 HydrophobicContact CD2-CH2 4.19Å; V183-W187 HydrophobicContact CG1-CD2 3.96Å; V183-W187 HydrophobicContact CG1-CE3 4.47Å; V183-W187 HydrophobicContact CG1-CH2 3.99Å; V183-W187 HydrophobicContact CG1-CZ2 3.39Å; V183-W187 HydrophobicContact CG1-CZ3 4.48Å; V183-W187 PolarHBondContact O-N 3.14Å; P184-W187 HydrophobicContact CB-CE3 4.35Å; P184-W187 PolarHBondContact O-N 3.35Å; W187-S190 PolarHBondContact O-N 2.8Å; W187-L191 VanDerWaalsContact O-CB 3.26Å; W187-L191 WeakPolarHBondContact O-CB 3.33Å; W187-L191 PolarHBondContact O-N 3.01Å |
| 188 | F | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -57.8 | -53.6 | 172.7 | -172.4 | -68.4 | 0 | 0 | 0 | 111 | L106 V110 L128 Y131 P184 C185 V186 S190 L191 A192 L214 | L106-F188 HydrophobicContact CD1-CE1 4.49Å; L106-F188 HydrophobicContact CD1-CE2 4.46Å; L106-F188 HydrophobicContact CD1-CZ 3.86Å; L106-F188 HydrophobicContact CD2-CE2 3.73Å; L106-F188 HydrophobicContact CD2-CZ 3.98Å; L106-F188 HydrophobicContact CG-CE2 4.23Å; L106-F188 HydrophobicContact CG-CZ 4.07Å; V110-F188 HydrophobicContact CG2-CZ 4.06Å; L128-F188 HydrophobicContact CB-CD2 4.1Å; L128-F188 HydrophobicContact CB-CE2 3.64Å; L128-F188 HydrophobicContact CB-CZ 4.12Å; L128-F188 HydrophobicContact CD2-CD1 3.86Å; L128-F188 HydrophobicContact CD2-CD2 3.83Å; L128-F188 HydrophobicContact CD2-CE1 3.91Å; L128-F188 HydrophobicContact CD2-CE2 3.86Å; L128-F188 HydrophobicContact CD2-CG 3.83Å; L128-F188 HydrophobicContact CD2-CZ 3.9Å; L128-F188 HydrophobicContact CG-CE2 4.32Å; L128-F188 HydrophobicContact CG-CZ 4.46Å; L128-F188 WeakPolarHBondContact O-CD2 3.37Å; L128-F188 VanDerWaalsContact O-CE2 3.26Å; L128-F188 WeakPolarHBondContact O-CE2 3.41Å; Y131-F188 HydrophobicContact CD2-CB 4.35Å; P184-F188 WeakPolarHBondContact O-CB 3.34Å; P184-F188 PolarHBondContact O-N 3.48Å; C185-F188 WeakPolarHBondContact O-CB 3.38Å; C185-F188 PolarHBondContact O-N 3.42Å; V186-F188 VanDerWaalsContact C-N 3.29Å; V186-F188 PolarHBondContact O-N 2.8Å; F188-S190 VanDerWaalsContact C-N 3.31Å; F188-S190 PolarHBondContact O-N 3.41Å; F188-L191 PolarHBondContact O-N 3.16Å; F188-L191 VanDerWaalsContact O-N 3.15Å; F188-A192 HydrophobicContact CD1-CB 4.45Å; F188-A192 HydrophobicContact CE1-CB 4.42Å; F188-A192 WeakPolarHBondContact O-CB 3.06Å; F188-A192 PolarHBondContact O-N 3.3Å; F188-L214 HydrophobicContact CB-CD1 4.06Å; F188-L214 HydrophobicContact CB-CD2 4Å; F188-L214 HydrophobicContact CD1-CB 4.4Å; F188-L214 HydrophobicContact CD1-CD1 3.94Å; F188-L214 HydrophobicContact CD1-CD2 3.55Å; F188-L214 HydrophobicContact CD1-CG 4.16Å; F188-L214 HydrophobicContact CD2-CD1 4.03Å; F188-L214 HydrophobicContact CE1-CB 4.35Å; F188-L214 HydrophobicContact CE1-CD1 4.37Å; F188-L214 HydrophobicContact CE1-CD2 4.27Å; F188-L214 HydrophobicContact CE2-CD1 4.46Å; F188-L214 HydrophobicContact CG-CD1 3.76Å; F188-L214 HydrophobicContact CG-CD2 3.96Å; F188-L214 HydrophobicContact CG-CG 4.42Å |
| 189 | S | 98.8 | Very high | 98.5 | Very high | 41 Ų | 41 | 45.6 Ų | 45.6 | 29% | 0.287 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -58.4 | -43.2 | -179.6 | -61.9 | 0 | 0 | 0 | 0 | 112.1 | C185 V186 A192 A193 L214 | C185-S189 PolarHBondContact O-N 3.05Å; C185-S189 VanDerWaalsContact O-N 3.13Å; C185-S189 PolarHBondContact O-OG 2.71Å; V186-S189 PolarHBondContact O-N 3.34Å; S189-A192 PolarHBondContact O-N 2.98Å; S189-A193 WeakPolarHBondContact O-CB 3.35Å; S189-A193 PolarHBondContact O-N 2.83Å; S189-L214 WeakPolarHBondContact OG-CD2 3.4Å |
| 190 | S | 98.7 | Very high | 98.5 | Very high | 72 Ų | 72 | 45.1 Ų | 45.1 | 50% | 0.503 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -64.7 | -41 | 176.5 | -60.7 | 0 | 0 | 0 | 0 | 112.5 | V186 W187 F188 A193 Q194 | V186-S190 PolarHBondContact O-N 3.19Å; V186-S190 PolarHBondContact O-OG 3.45Å; W187-S190 PolarHBondContact O-N 2.8Å; F188-S190 VanDerWaalsContact C-N 3.31Å; F188-S190 PolarHBondContact O-N 3.41Å; S190-A193 PolarHBondContact O-N 3.33Å; S190-Q194 WeakPolarHBondContact O-CB 3.48Å; S190-Q194 PolarHBondContact O-N 3.01Å |
| 191 | L | 98.8 | Very high | 98.5 | Very high | 26 Ų | 26 | 43.4 Ų | 43.4 | 14% | 0.136 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -69.2 | -39.2 | 178.9 | -172.6 | 66.6 | 0 | 0 | 0 | 111.7 | Y124 T127 L128 Y131 W187 F188 Q194 A195 | Y124-L191 HydrophobicContact CD1-CD1 3.86Å; Y124-L191 HydrophobicContact CD1-CD2 4.41Å; Y124-L191 HydrophobicContact CD1-CG 3.95Å; Y124-L191 HydrophobicContact CE1-CD1 3.52Å; Y124-L191 HydrophobicContact CE1-CG 4.02Å; T127-L191 HydrophobicContact CG2-CD2 3.58Å; L128-L191 HydrophobicContact CD2-CB 4.02Å; L128-L191 HydrophobicContact CD2-CD2 3.89Å; L128-L191 HydrophobicContact CD2-CG 4.09Å; L128-L191 HydrophobicContact CG-CD2 3.96Å; L128-L191 HydrophobicContact CG-CG 4.44Å; Y131-L191 HydrophobicContact CD2-CD2 4.26Å; Y131-L191 HydrophobicContact CE2-CB 4.26Å; Y131-L191 HydrophobicContact CE2-CD2 3.8Å; W187-L191 VanDerWaalsContact O-CB 3.26Å; W187-L191 WeakPolarHBondContact O-CB 3.33Å; W187-L191 PolarHBondContact O-N 3.01Å; F188-L191 PolarHBondContact O-N 3.16Å; F188-L191 VanDerWaalsContact O-N 3.15Å; L191-Q194 PolarHBondContact O-N 3.41Å; L191-A195 WeakPolarHBondContact O-CB 3.4Å; L191-A195 PolarHBondContact O-N 3.42Å |
| 192 | A | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.3 | -43.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | L128 F188 S189 Q194 A195 R196 I201 L207 | L128-A192 HydrophobicContact CD2-CB 4.3Å; F188-A192 HydrophobicContact CD1-CB 4.45Å; F188-A192 HydrophobicContact CE1-CB 4.42Å; F188-A192 WeakPolarHBondContact O-CB 3.06Å; F188-A192 PolarHBondContact O-N 3.3Å; S189-A192 PolarHBondContact O-N 2.98Å; A192-Q194 VanDerWaalsContact C-N 3.31Å; A192-Q194 PolarHBondContact O-N 3.22Å; A192-A195 PolarHBondContact O-N 2.89Å; A192-R196 PolarHBondContact O-N 3.26Å; A192-I201 HydrophobicContact CB-CD1 4.47Å; A192-I201 WeakPolarHBondContact O-CD1 3.4Å; A192-L207 HydrophobicContact CB-CD1 3.77Å |
| 193 | A | 98.4 | Very high | 98.2 | Very high | 32 Ų | 32 | 49.7 Ų | 49.7 | 26% | 0.264 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -62.2 | -37.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | S189 S190 R196 R197 | S189-A193 WeakPolarHBondContact O-CB 3.35Å; S189-A193 PolarHBondContact O-N 2.83Å; S190-A193 PolarHBondContact O-N 3.33Å; A193-R196 PolarHBondContact O-N 3.39Å; A193-R197 WeakPolarHBondContact O-CG 3.36Å; A193-R197 PolarHBondContact O-N 2.99Å; A193-R197 VanDerWaalsContact O-N 3.12Å |
| 194 | Q | 98.6 | Very high | 98 | Very high | 67 Ų | 67 | 54.9 Ų | 54.9 | 31% | 0.313 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -65.6 | -47 | 173.7 | -177.2 | 179.2 | -23.6 | 0 | 0 | 112 | Y124 S190 L191 A192 R196 R197 E198 | Y124-Q194 PolarHBondContact OH-NE2 2.84Å; S190-Q194 WeakPolarHBondContact O-CB 3.48Å; S190-Q194 PolarHBondContact O-N 3.01Å; L191-Q194 PolarHBondContact O-N 3.41Å; A192-Q194 VanDerWaalsContact C-N 3.31Å; A192-Q194 PolarHBondContact O-N 3.22Å; Q194-R196 PolarHBondContact O-N 3.12Å; Q194-R197 PolarHBondContact O-N 2.94Å; Q194-E198 HydrophobicContact CG-CG 4.49Å; Q194-E198 PolarHBondContact NE2-OE1 2.89Å; Q194-E198 PolarHBondContact O-N 2.87Å |
| 195 | A | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -57.2 | -37.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y124 L191 A192 E198 G199 R200 I201 | Y124-A195 HydrophobicContact CD1-CB 3.85Å; Y124-A195 HydrophobicContact CE1-CB 3.78Å; Y124-A195 HydrophobicContact CG-CB 4.39Å; L191-A195 WeakPolarHBondContact O-CB 3.4Å; L191-A195 PolarHBondContact O-N 3.42Å; A192-A195 PolarHBondContact O-N 2.89Å; A195-E198 PolarHBondContact O-N 2.75Å; A195-G199 PolarHBondContact O-N 2.88Å; A195-R200 HydrophobicContact CB-CB 4.12Å; A195-R200 WeakPolarHBondContact O-CA 3.5Å; A195-R200 WeakPolarHBondContact O-CB 3.48Å; A195-R200 PolarHBondContact O-N 3.15Å; A195-I201 HydrophobicContact CB-CD1 3.93Å; A195-I201 HydrophobicContact CB-CG1 4.15Å; A195-I201 PolarHBondContact O-N 2.93Å |
| 196 | R | 98.3 | Very high | 97.9 | Very high | 75 Ų | 75 | 60 Ų | 60 | 28% | 0.283 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -64.6 | -44.4 | 173 | 175.8 | 62.2 | -174.2 | 93.5 | -4.4 | 113.1 | A192 A193 Q194 E198 G199 I201 N204 L207 | A192-R196 PolarHBondContact O-N 3.26Å; A193-R196 PolarHBondContact O-N 3.39Å; Q194-R196 PolarHBondContact O-N 3.12Å; R196-E198 VanDerWaalsContact C-N 3.29Å; R196-E198 PolarHBondContact O-N 2.72Å; R196-G199 PolarHBondContact O-N 3.39Å; R196-I201 HydrophobicContact CB-CB 4.19Å; R196-I201 HydrophobicContact CB-CD1 4.41Å; R196-I201 VanDerWaalsContact CD-O 3.23Å; R196-I201 WeakPolarHBondContact CD-O 3.23Å; R196-N204 PolarHBondContact NE-OD1 3.38Å; R196-N204 PolarHBondContact NH2-OD1 2.93Å; R196-L207 HydrophobicContact CB-CD2 4.01Å; R196-L207 HydrophobicContact CG-CD2 3.95Å |
| 197 | R | 98.1 | Very high | 97.9 | Very high | 184 Ų | 184 | 58 Ų | 58 | 69% | 0.694 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -64.3 | -34.9 | 176.4 | -70.9 | -168.9 | -53.6 | -91 | 0.4 | 112.3 | A193 Q194 G199 | A193-R197 WeakPolarHBondContact O-CG 3.36Å; A193-R197 PolarHBondContact O-N 2.99Å; A193-R197 VanDerWaalsContact O-N 3.12Å; Q194-R197 PolarHBondContact O-N 2.94Å; R197-G199 PolarHBondContact O-N 3.41Å |
| 198 | E | 97.6 | Very high | 97.9 | Very high | 71 Ų | 71 | 62 Ų | 62 | 33% | 0.332 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | 5 | 176.6 | -67.3 | -176.8 | -162.8 | 0 | 0 | 113.5 | R120 Y124 Q194 A195 R196 R200 | R120-E198 IonicContact CZ-OE1 2.87Å; R120-E198 IonicContact CZ-OE2 2.8Å; R120-E198 VanDerWaalsContact CZ-OE2 3.28Å; R120-E198 IonicContact NE-OE2 3.77Å; R120-E198 PolarHBondContact NE-OE2 3.02Å; R120-E198 IonicContact NH2-OE1 2.85Å; R120-E198 PolarHBondContact NH2-OE1 3.18Å; R120-E198 IonicContact NH2-OE2 3.52Å; R120-E198 PolarHBondContact NH2-OE2 3.42Å; Y124-E198 WeakPolarHBondContact CE2-OE2 3.28Å; Y124-E198 PolarHBondContact OH-OE1 3.48Å; Y124-E198 PolarHBondContact OH-OE2 3.43Å; Q194-E198 HydrophobicContact CG-CG 4.49Å; Q194-E198 PolarHBondContact NE2-OE1 2.89Å; Q194-E198 PolarHBondContact O-N 2.87Å; A195-E198 PolarHBondContact O-N 2.75Å; R196-E198 VanDerWaalsContact C-N 3.29Å; R196-E198 PolarHBondContact O-N 2.72Å; E198-R200 HydrophobicContact CB-CG 4.33Å; E198-R200 PolarHBondContact O-N 3.11Å |
| 199 | G | 97.5 | Very high | 97.8 | Very high | 46 Ų | 46 | 65.4 Ų | 65.4 | 47% | 0.474 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.3 | 11.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | A195 R196 R197 | A195-G199 PolarHBondContact O-N 2.88Å; R196-G199 PolarHBondContact O-N 3.39Å; R197-G199 PolarHBondContact O-N 3.41Å |
| 200 | R | 97.9 | Very high | 97.8 | Very high | 47 Ų | 47 | 63.5 Ų | 63.5 | 18% | 0.177 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -73.9 | -32.8 | 175.2 | -58.6 | -62.4 | -178.7 | 155.7 | 0.8 | 112 | H115 D118 Y124 A195 E198 | H115-R200 PolarHBondContact CD2-O 3.36Å; H115-R200 PolarHBondContact N-O 3.06Å; H115-R200 VanDerWaalsContact O-CD 3.32Å; H115-R200 WeakPolarHBondContact O-CD 3.35Å; D118-R200 IonicContact OD1-CZ 2.8Å; D118-R200 IonicContact OD1-NH1 3.42Å; D118-R200 PolarHBondContact OD1-NH1 3.45Å; D118-R200 IonicContact OD1-NH2 3.21Å; D118-R200 IonicContact OD2-CZ 2.73Å; D118-R200 IonicContact OD2-NH1 3.88Å; D118-R200 PolarHBondContact OD2-NH1 3.21Å; D118-R200 IonicContact OD2-NH2 3.01Å; D118-R200 PolarHBondContact OD2-NH2 3.28Å; Y124-R200 HydrophobicContact CD2-CG 4.04Å; Y124-R200 HydrophobicContact CE2-CG 3.96Å; A195-R200 HydrophobicContact CB-CB 4.12Å; A195-R200 WeakPolarHBondContact O-CA 3.5Å; A195-R200 WeakPolarHBondContact O-CB 3.48Å; A195-R200 PolarHBondContact O-N 3.15Å; E198-R200 HydrophobicContact CB-CG 4.33Å; E198-R200 PolarHBondContact O-N 3.11Å |
| 201 | I | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -101.6 | 122.9 | 165.8 | -57.8 | 166.1 | 0 | 0 | 0 | 106.6 | V114 A192 A195 R196 A206 L207 L210 | V114-I201 HydrophobicContact CG2-CD1 4.31Å; V114-I201 HydrophobicContact CG2-CG1 4.02Å; A192-I201 HydrophobicContact CB-CD1 4.47Å; A192-I201 WeakPolarHBondContact O-CD1 3.4Å; A195-I201 HydrophobicContact CB-CD1 3.93Å; A195-I201 HydrophobicContact CB-CG1 4.15Å; A195-I201 PolarHBondContact O-N 2.93Å; R196-I201 HydrophobicContact CB-CB 4.19Å; R196-I201 HydrophobicContact CB-CD1 4.41Å; R196-I201 VanDerWaalsContact CD-O 3.23Å; R196-I201 WeakPolarHBondContact CD-O 3.23Å; I201-A206 HydrophobicContact CG2-CB 3.81Å; I201-L207 HydrophobicContact CD1-CD1 4.19Å; I201-L207 HydrophobicContact CG2-CB 4.3Å; I201-L210 HydrophobicContact CD1-CD1 3.66Å; I201-L210 HydrophobicContact CG1-CD1 4.4Å |
| 202 | R | 95.4 | Very high | 97.8 | Very high | 159 Ų | 159 | 66 Ų | 66 | 60% | 0.6 | 33% | 0.329 | S | S | * | . | trans | -77.4 | -48.1 | -171.3 | -65.2 | 172.7 | -174.8 | 167.5 | 2.9 | 111.9 | H115 | H115-R202 PolarHBondContact CD2-NE 2.72Š| ||
| 203 | D | 94.8 | Very high | 97.8 | Very high | 101 Ų | 101 | 69 Ų | 69 | 54% | 0.54 | 34% | 0.343 | S | S | . | . | trans | -113.3 | 152.3 | -168.7 | -53.9 | -50.7 | 0 | 0 | 0 | 113 | S205 A206 L207 | D203-S205 VanDerWaalsContact C-N 3.3Å; D203-S205 PolarHBondContact O-N 3.37Å; D203-A206 HydrophobicContact CB-CB 4.34Å; D203-A206 WeakPolarHBondContact O-CB 3.35Å; D203-A206 PolarHBondContact O-N 2.99Å; D203-L207 PolarHBondContact O-N 2.66Å | ||
| 204 | N | 96.4 | Very high | 97.8 | Very high | 111 Ų | 111 | 67.5 Ų | 67.5 | 59% | 0.594 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -67.6 | -33.8 | 175.9 | -67.2 | -10.8 | 0 | 0 | 0 | 111.8 | R196 A206 L207 K208 | R196-N204 PolarHBondContact NE-OD1 3.38Å; R196-N204 PolarHBondContact NH2-OD1 2.93Å; N204-A206 VanDerWaalsContact C-N 3.29Å; N204-A206 PolarHBondContact O-N 3.49Å; N204-L207 PolarHBondContact O-N 3.06Å; N204-K208 WeakPolarHBondContact O-CB 3.27Å; N204-K208 PolarHBondContact O-N 3.13Å |
| 205 | S | 97.5 | Very high | 97.8 | Very high | 96 Ų | 96 | 68.3 Ų | 68.3 | 67% | 0.671 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -62.6 | -37 | 175 | -52.2 | 0 | 0 | 0 | 0 | 111.8 | D203 K208 L209 | D203-S205 VanDerWaalsContact C-N 3.3Å; D203-S205 PolarHBondContact O-N 3.37Å; S205-K208 WeakPolarHBondContact O-CB 3.41Å; S205-K208 PolarHBondContact O-N 2.85Å; S205-L209 PolarHBondContact O-N 3.21Å |
| 206 | A | 97.4 | Very high | 97.8 | Very high | 17 Ų | 17 | 70.6 Ų | 70.6 | 14% | 0.14 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -67.4 | -41.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | T113 I201 D203 N204 L209 L210 | T113-A206 HydrophobicContact CG2-CB 3.66Å; I201-A206 HydrophobicContact CG2-CB 3.81Å; D203-A206 HydrophobicContact CB-CB 4.34Å; D203-A206 WeakPolarHBondContact O-CB 3.35Å; D203-A206 PolarHBondContact O-N 2.99Å; N204-A206 VanDerWaalsContact C-N 3.29Å; N204-A206 PolarHBondContact O-N 3.49Å; A206-L209 PolarHBondContact O-N 3.49Å; A206-L210 PolarHBondContact O-N 3.02Å; A206-L210 VanDerWaalsContact O-N 3.16Å |
| 207 | L | 98.3 | Very high | 97.8 | Very high | 30 Ų | 30 | 67.5 Ų | 67.5 | 16% | 0.157 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -63.2 | -42 | 172.1 | 176.9 | 62.8 | 0 | 0 | 0 | 111.6 | A192 R196 I201 D203 N204 L210 L211 | A192-L207 HydrophobicContact CB-CD1 3.77Å; R196-L207 HydrophobicContact CB-CD2 4.01Å; R196-L207 HydrophobicContact CG-CD2 3.95Å; I201-L207 HydrophobicContact CD1-CD1 4.19Å; I201-L207 HydrophobicContact CG2-CB 4.3Å; D203-L207 PolarHBondContact O-N 2.66Å; N204-L207 PolarHBondContact O-N 3.06Å; L207-L210 PolarHBondContact O-N 3.4Å; L207-L211 HydrophobicContact CD1-CD1 4.35Å; L207-L211 HydrophobicContact CD1-CG 4.32Å; L207-L211 HydrophobicContact CG-CD1 4.29Å; L207-L211 WeakPolarHBondContact O-CG 3.43Å; L207-L211 PolarHBondContact O-N 2.98Å; L207-L211 VanDerWaalsContact O-N 3.13Å |
| 208 | K | 98.3 | Very high | 97.8 | Very high | 126 Ų | 126 | 63.6 Ų | 63.6 | 55% | 0.548 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -58.4 | -48.7 | 176.9 | 179.4 | -177.8 | 166.2 | -174.4 | 0 | 111 | N204 S205 L210 L211 E212 | N204-K208 WeakPolarHBondContact O-CB 3.27Å; N204-K208 PolarHBondContact O-N 3.13Å; S205-K208 WeakPolarHBondContact O-CB 3.41Å; S205-K208 PolarHBondContact O-N 2.85Å; K208-L210 VanDerWaalsContact C-N 3.34Å; K208-L210 PolarHBondContact O-N 2.78Å; K208-L211 PolarHBondContact O-N 3.47Å; K208-L211 VanDerWaalsContact O-N 3.12Å; K208-E212 WeakPolarHBondContact CE-OE1 3.48Å; K208-E212 HydrophobicContact CG-CG 4.36Å; K208-E212 IonicContact NZ-OE1 3.61Å; K208-E212 WeakPolarHBondContact O-CG 3.31Å; K208-E212 PolarHBondContact O-N 3.29Å |
| 209 | L | 98.4 | Very high | 97.9 | Very high | 73 Ų | 73 | 63 Ų | 63 | 38% | 0.382 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -55.3 | -46.9 | 177 | 177.7 | 64 | 0 | 0 | 0 | 111.9 | A109 S205 A206 L211 E212 E213 | A109-L209 HydrophobicContact CB-CG 4.44Å; S205-L209 PolarHBondContact O-N 3.21Å; A206-L209 PolarHBondContact O-N 3.49Å; L209-L211 VanDerWaalsContact C-N 3.31Å; L209-L211 PolarHBondContact O-N 3.1Å; L209-E212 PolarHBondContact O-N 2.87Å; L209-E213 HydrophobicContact CD1-CG 4.24Å; L209-E213 WeakPolarHBondContact O-CG 3.33Å; L209-E213 PolarHBondContact O-N 3.16Å |
| 210 | L | 98.2 | Very high | 97.9 | Very high | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -58.4 | -41.8 | 177.1 | -77.8 | 174.1 | 0 | 0 | 0 | 112.8 | A109 V110 T113 V114 I201 A206 L207 K208 L214 | A109-L210 HydrophobicContact CB-CD2 3.83Å; V110-L210 HydrophobicContact CB-CD2 4.37Å; V110-L210 HydrophobicContact CG2-CD2 3.6Å; T113-L210 WeakPolarHBondContact OG1-CD1 3.24Å; V114-L210 HydrophobicContact CG2-CD1 4.06Å; I201-L210 HydrophobicContact CD1-CD1 3.66Å; I201-L210 HydrophobicContact CG1-CD1 4.4Å; A206-L210 PolarHBondContact O-N 3.02Å; A206-L210 VanDerWaalsContact O-N 3.16Å; L207-L210 PolarHBondContact O-N 3.4Å; K208-L210 VanDerWaalsContact C-N 3.34Å; K208-L210 PolarHBondContact O-N 2.78Å; L210-L214 VanDerWaalsContact O-CB 3.29Å; L210-L214 WeakPolarHBondContact O-CB 3.48Å; L210-L214 PolarHBondContact O-N 3.03Å |
| 211 | L | 98.5 | Very high | 98 | Very high | 53 Ų | 53 | 62.4 Ų | 62.4 | 28% | 0.277 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -74.1 | -33.1 | 179.9 | -65 | 178.6 | 0 | 0 | 0 | 112.3 | L207 K208 L209 L214 N215 | L207-L211 HydrophobicContact CD1-CD1 4.35Å; L207-L211 HydrophobicContact CD1-CG 4.32Å; L207-L211 HydrophobicContact CG-CD1 4.29Å; L207-L211 WeakPolarHBondContact O-CG 3.43Å; L207-L211 PolarHBondContact O-N 2.98Å; L207-L211 VanDerWaalsContact O-N 3.13Å; K208-L211 PolarHBondContact O-N 3.47Å; K208-L211 VanDerWaalsContact O-N 3.12Å; L209-L211 VanDerWaalsContact C-N 3.31Å; L209-L211 PolarHBondContact O-N 3.1Å; L211-L214 HydrophobicContact CD2-CD2 4.49Å; L211-N215 WeakPolarHBondContact O-CB 3.4Å; L211-N215 VanDerWaalsContact O-CG 3.32Å; L211-N215 PolarHBondContact O-N 3.16Å; L211-N215 PolarHBondContact O-ND2 3.48Å |
| 212 | E | 98.6 | Very high | 97.9 | Very high | 98 Ų | 98 | 62.7 Ų | 62.7 | 46% | 0.458 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -64.2 | -49.8 | 173.4 | -75 | 176.8 | 156.9 | 0 | 0 | 110.9 | K208 L209 L214 N215 A216 | K208-E212 WeakPolarHBondContact CE-OE1 3.48Å; K208-E212 HydrophobicContact CG-CG 4.36Å; K208-E212 IonicContact NZ-OE1 3.61Å; K208-E212 WeakPolarHBondContact O-CG 3.31Å; K208-E212 PolarHBondContact O-N 3.29Å; L209-E212 PolarHBondContact O-N 2.87Å; E212-L214 VanDerWaalsContact C-N 3.34Å; E212-L214 PolarHBondContact O-N 3.05Å; E212-N215 PolarHBondContact O-N 3.28Å; E212-N215 VanDerWaalsContact O-N 3.13Å; E212-A216 PolarHBondContact O-N 2.92Å |
| 213 | E | 98.5 | Very high | 98.1 | Very high | 62 Ų | 62 | 58.3 Ų | 58.3 | 29% | 0.29 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -63.2 | -39.1 | 177.1 | -70.5 | -55.7 | 143 | 0 | 0 | 112.2 | A105 L106 A109 L209 N215 A216 F217 | A105-E213 VanDerWaalsContact CB-OE2 3.3Å; A105-E213 WeakPolarHBondContact CB-OE2 3.28Å; L106-E213 HydrophobicContact CD1-CB 3.68Å; A109-E213 HydrophobicContact CB-CG 4.35Å; L209-E213 HydrophobicContact CD1-CG 4.24Å; L209-E213 WeakPolarHBondContact O-CG 3.33Å; L209-E213 PolarHBondContact O-N 3.16Å; E213-N215 VanDerWaalsContact C-N 3.34Å; E213-N215 PolarHBondContact O-N 3.16Å; E213-A216 PolarHBondContact O-N 3.05Å; E213-F217 WeakPolarHBondContact O-CB 3.26Å; E213-F217 PolarHBondContact O-N 3.47Å |
| 214 | L | 98.7 | Very high | 98.3 | Very high | 2 Ų | 2 | 53.5 Ų | 53.5 | 1% | 0.01 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.6 | -41.3 | 173.5 | 179.7 | 72.7 | 0 | 0 | 0 | 111.7 | L106 F188 S189 L210 L211 E212 F217 R218 | L106-L214 HydrophobicContact CD1-CB 4.32Å; L106-L214 HydrophobicContact CD2-CD1 4.29Å; F188-L214 HydrophobicContact CB-CD1 4.06Å; F188-L214 HydrophobicContact CB-CD2 4Å; F188-L214 HydrophobicContact CD1-CB 4.4Å; F188-L214 HydrophobicContact CD1-CD1 3.94Å; F188-L214 HydrophobicContact CD1-CD2 3.55Å; F188-L214 HydrophobicContact CD1-CG 4.16Å; F188-L214 HydrophobicContact CD2-CD1 4.03Å; F188-L214 HydrophobicContact CE1-CB 4.35Å; F188-L214 HydrophobicContact CE1-CD1 4.37Å; F188-L214 HydrophobicContact CE1-CD2 4.27Å; F188-L214 HydrophobicContact CE2-CD1 4.46Å; F188-L214 HydrophobicContact CG-CD1 3.76Å; F188-L214 HydrophobicContact CG-CD2 3.96Å; F188-L214 HydrophobicContact CG-CG 4.42Å; S189-L214 WeakPolarHBondContact OG-CD2 3.4Å; L210-L214 VanDerWaalsContact O-CB 3.29Å; L210-L214 WeakPolarHBondContact O-CB 3.48Å; L210-L214 PolarHBondContact O-N 3.03Å; L211-L214 HydrophobicContact CD2-CD2 4.49Å; E212-L214 VanDerWaalsContact C-N 3.34Å; E212-L214 PolarHBondContact O-N 3.05Å; L214-F217 WeakPolarHBondContact O-CB 3.23Å; L214-F217 PolarHBondContact O-N 3.31Å; L214-R218 WeakPolarHBondContact O-CB 3.27Å; L214-R218 PolarHBondContact O-N 3.38Å |
| 215 | N | 98.6 | Very high | 98.4 | Very high | 83 Ų | 83 | 51.1 Ų | 51.1 | 44% | 0.444 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -67.7 | -37.2 | 178.9 | -82.2 | -42.3 | 0 | 0 | 0 | 111.9 | L211 E212 E213 R218 S219 | L211-N215 WeakPolarHBondContact O-CB 3.4Å; L211-N215 VanDerWaalsContact O-CG 3.32Å; L211-N215 PolarHBondContact O-N 3.16Å; L211-N215 PolarHBondContact O-ND2 3.48Å; E212-N215 PolarHBondContact O-N 3.28Å; E212-N215 VanDerWaalsContact O-N 3.13Å; E213-N215 VanDerWaalsContact C-N 3.34Å; E213-N215 PolarHBondContact O-N 3.16Å; N215-R218 PolarHBondContact O-N 3.48Å; N215-S219 VanDerWaalsContact O-CB 3.32Å; N215-S219 WeakPolarHBondContact O-CB 3.17Å; N215-S219 PolarHBondContact O-N 3.45Å |
| 216 | A | 98.5 | Very high | 98.4 | Very high | 49 Ų | 49 | 51.1 Ų | 51.1 | 41% | 0.405 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -61 | -45.8 | 171 | 0 | 0 | 0 | 0 | 0 | 111.1 | E212 E213 S219 K220 | E212-A216 PolarHBondContact O-N 2.92Å; E213-A216 PolarHBondContact O-N 3.05Å; A216-S219 WeakPolarHBondContact O-CB 3.45Å; A216-S219 PolarHBondContact O-N 3.41Å; A216-K220 PolarHBondContact O-N 3.4Å |
| 217 | F | 98.7 | Very high | 98.5 | Very high | 9 Ų | 9 | 52.1 Ų | 52.1 | 4% | 0.039 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.7 | -45.5 | 175.2 | -178.5 | -86.8 | 0 | 0 | 0 | 112.9 | P101 L102 A132 A136 E213 L214 S219 K220 C221 | P101-F217 HydrophobicContact CB-CD2 4.31Å; P101-F217 HydrophobicContact CB-CE1 4.24Å; P101-F217 HydrophobicContact CB-CE2 3.68Å; P101-F217 HydrophobicContact CB-CZ 3.66Å; L102-F217 WeakPolarHBondContact O-CD2 3.43Å; A132-F217 HydrophobicContact CB-CE1 4.19Å; A132-F217 HydrophobicContact CB-CZ 4.15Å; A132-F217 WeakPolarHBondContact O-CE1 3.47Å; A132-F217 VanDerWaalsContact O-CZ 3.29Å; A132-F217 WeakPolarHBondContact O-CZ 3.49Å; A136-F217 HydrophobicContact CB-CZ 3.96Å; E213-F217 WeakPolarHBondContact O-CB 3.26Å; E213-F217 PolarHBondContact O-N 3.47Å; L214-F217 WeakPolarHBondContact O-CB 3.23Å; L214-F217 PolarHBondContact O-N 3.31Å; F217-S219 VanDerWaalsContact C-N 3.32Å; F217-S219 PolarHBondContact O-N 3.1Å; F217-K220 WeakPolarHBondContact O-CB 3.41Å; F217-K220 PolarHBondContact O-N 3.11Å; F217-C221 PolarHBondContact O-N 3.49Å; F217-C221 PolarHBondContact O-SG 2.93Å; F217-C221 VanDerWaalsContact O-SG 3.38Å |
| 218 | R | 98.4 | Very high | 98.5 | Very high | 102 Ų | 102 | 54 Ų | 54 | 39% | 0.385 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -62.8 | -38.9 | 176.3 | -175.9 | -158.8 | 63.1 | 70.7 | 1.7 | 111.3 | C185 L214 N215 K220 C221 G222 | C185-R218 HydrophobicContact CB-CG 4.45Å; L214-R218 WeakPolarHBondContact O-CB 3.27Å; L214-R218 PolarHBondContact O-N 3.38Å; N215-R218 PolarHBondContact O-N 3.48Å; R218-K220 VanDerWaalsContact C-N 3.31Å; R218-K220 PolarHBondContact O-N 3.02Å; R218-C221 WeakPolarHBondContact O-CB 3.19Å; R218-C221 PolarHBondContact O-N 3.21Å; R218-G222 PolarHBondContact O-N 3.32Å |
| 219 | S | 98.4 | Very high | 98.5 | Very high | 60 Ų | 60 | 56.5 Ų | 56.5 | 42% | 0.42 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -58.9 | -44.1 | 176.4 | -171.1 | 0 | 0 | 0 | 0 | 111.1 | N215 A216 F217 C221 G222 M223 | N215-S219 VanDerWaalsContact O-CB 3.32Å; N215-S219 WeakPolarHBondContact O-CB 3.17Å; N215-S219 PolarHBondContact O-N 3.45Å; A216-S219 WeakPolarHBondContact O-CB 3.45Å; A216-S219 PolarHBondContact O-N 3.41Å; F217-S219 VanDerWaalsContact C-N 3.32Å; F217-S219 PolarHBondContact O-N 3.1Å; S219-C221 PolarHBondContact O-N 3.13Å; S219-G222 PolarHBondContact O-N 3.39Å; S219-G222 VanDerWaalsContact O-N 3.15Å; S219-M223 WeakPolarHBondContact O-CG 3.39Å; S219-M223 PolarHBondContact O-N 3.17Å |
| 220 | K | 98.6 | Very high | 98.4 | Very high | 79 Ų | 79 | 57.4 Ų | 57.4 | 34% | 0.343 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -58.1 | -45.3 | 173.4 | -70.7 | -173 | -179.7 | -167.6 | 0 | 112.6 | C99 A216 F217 R218 G222 M223 L224 | C99-K220 WeakPolarHBondContact O-CB 3.37Å; A216-K220 PolarHBondContact O-N 3.4Å; F217-K220 WeakPolarHBondContact O-CB 3.41Å; F217-K220 PolarHBondContact O-N 3.11Å; R218-K220 VanDerWaalsContact C-N 3.31Å; R218-K220 PolarHBondContact O-N 3.02Å; K220-G222 VanDerWaalsContact C-N 3.35Å; K220-G222 PolarHBondContact O-N 3.05Å; K220-M223 PolarHBondContact O-N 3.27Å; K220-L224 PolarHBondContact O-N 3.46Å; K220-L224 VanDerWaalsContact O-N 3.09Å |
| 221 | C | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59.6 | -44 | 173.9 | -58.9 | 0 | 0 | 0 | 0 | 112.1 | I139 Y181 F217 R218 S219 M223 L224 F225 | I139-C221 HydrophobicContact CB-CB 4.43Å; I139-C221 HydrophobicContact CG1-CB 4.5Å; I139-C221 WeakPolarHBondContact CG1-O 3.44Å; I139-C221 HydrophobicContact CG2-CB 4.02Å; Y181-C221 HydrophobicContact CD2-CB 4.1Å; Y181-C221 HydrophobicContact CE2-CB 3.95Å; F217-C221 PolarHBondContact O-N 3.49Å; F217-C221 PolarHBondContact O-SG 2.93Å; F217-C221 VanDerWaalsContact O-SG 3.38Å; R218-C221 WeakPolarHBondContact O-CB 3.19Å; R218-C221 PolarHBondContact O-N 3.21Å; S219-C221 PolarHBondContact O-N 3.13Å; C221-M223 VanDerWaalsContact C-N 3.35Å; C221-M223 PolarHBondContact O-N 2.8Å; C221-L224 PolarHBondContact O-N 3.11Å; C221-F225 PolarHBondContact O-N 3.17Å |
| 222 | G | 98.3 | Very high | 98.3 | Very high | 6 Ų | 6 | 59 Ų | 59 | 6% | 0.062 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.5 | -39 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | R218 S219 K220 L224 F225 H226 | R218-G222 PolarHBondContact O-N 3.32Å; S219-G222 PolarHBondContact O-N 3.39Å; S219-G222 VanDerWaalsContact O-N 3.15Å; K220-G222 VanDerWaalsContact C-N 3.35Å; K220-G222 PolarHBondContact O-N 3.05Å; G222-L224 VanDerWaalsContact C-N 3.35Å; G222-L224 PolarHBondContact O-N 3.27Å; G222-F225 WeakPolarHBondContact O-CB 3.23Å; G222-F225 PolarHBondContact O-N 2.99Å; G222-H226 PolarHBondContact O-CD2 3.27Å; G222-H226 PolarHBondContact O-N 2.56Å |
| 223 | M | 98.5 | Very high | 98.3 | Very high | 67 Ų | 67 | 58.2 Ų | 58.2 | 33% | 0.33 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -64.5 | -37.6 | 176.1 | -73.6 | -56.2 | -57.1 | 0 | 0 | 112.6 | C99 S219 K220 C221 F225 H226 Y227 | C99-M223 HydrophobicContact CB-CB 4.02Å; C99-M223 WeakPolarHBondContact SG-CB 3.37Å; S219-M223 WeakPolarHBondContact O-CG 3.39Å; S219-M223 PolarHBondContact O-N 3.17Å; K220-M223 PolarHBondContact O-N 3.27Å; C221-M223 VanDerWaalsContact C-N 3.35Å; C221-M223 PolarHBondContact O-N 2.8Å; M223-F225 VanDerWaalsContact C-N 3.34Å; M223-H226 PolarHBondContact O-N 3.21Å; M223-Y227 HydrophobicContact CE-CD2 4.4Å; M223-Y227 HydrophobicContact CE-CE2 3.8Å; M223-Y227 VanDerWaalsContact O-CD2 3.22Å; M223-Y227 WeakPolarHBondContact O-CD2 3.23Å; M223-Y227 PolarHBondContact O-N 2.85Å |
| 224 | L | 98.5 | Very high | 98.3 | Very high | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.005 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60.2 | -44.7 | 171.5 | -68.8 | -175.7 | 0 | 0 | 0 | 111.7 | C99 P101 I139 L140 K220 C221 G222 H226 Y227 D228 F298 | C99-L224 HydrophobicContact CB-CD2 3.86Å; C99-L224 HydrophobicContact CB-CG 4.21Å; P101-L224 HydrophobicContact CG-CD1 4.45Å; I139-L224 HydrophobicContact CG1-CB 4.09Å; L140-L224 HydrophobicContact CD2-CD1 4.01Å; K220-L224 PolarHBondContact O-N 3.46Å; K220-L224 VanDerWaalsContact O-N 3.09Å; C221-L224 PolarHBondContact O-N 3.11Å; G222-L224 VanDerWaalsContact C-N 3.35Å; G222-L224 PolarHBondContact O-N 3.27Å; L224-H226 VanDerWaalsContact C-N 3.3Å; L224-H226 PolarHBondContact O-N 2.73Å; L224-Y227 PolarHBondContact O-N 2.96Å; L224-D228 WeakPolarHBondContact O-CB 3.19Å; L224-D228 PolarHBondContact O-N 3.29Å; L224-F298 HydrophobicContact CD2-CE2 4.04Å; L224-F298 HydrophobicContact CD2-CZ 3.56Å |
| 225 | F | 98.4 | Very high | 98.2 | Very high | 60 Ų | 60 | 65.4 Ų | 65.4 | 26% | 0.263 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -60 | -40.2 | 175 | -170.1 | -97.5 | 0 | 0 | 0 | 112.1 | I139 N179 Y181 C221 G222 M223 W229 | I139-F225 HydrophobicContact CD1-CB 3.83Å; I139-F225 HydrophobicContact CD1-CD2 4.08Å; I139-F225 HydrophobicContact CD1-CG 4.45Å; N179-F225 HydrophobicContact CB-CE2 4.31Å; Y181-F225 HydrophobicContact CE1-CB 4.42Å; Y181-F225 HydrophobicContact CE1-CD2 4.19Å; Y181-F225 HydrophobicContact CE1-CG 4.26Å; C221-F225 PolarHBondContact O-N 3.17Å; G222-F225 WeakPolarHBondContact O-CB 3.23Å; G222-F225 PolarHBondContact O-N 2.99Å; M223-F225 VanDerWaalsContact C-N 3.34Å; F225-W229 HydrophobicContact CE1-CE3 4.44Å; F225-W229 VanDerWaalsContact O-CB 3.32Å; F225-W229 WeakPolarHBondContact O-CB 3.44Å; F225-W229 PolarHBondContact O-N 3.16Å |
| 226 | H | 98.4 | Very high | 98.2 | Very high | 97 Ų | 97 | 64.8 Ų | 64.8 | 45% | 0.449 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -67.8 | -39 | 177.9 | -68.4 | -40.2 | 0 | 0 | 0 | 113.1 | G222 M223 L224 I230 | G222-H226 PolarHBondContact O-CD2 3.27Å; G222-H226 PolarHBondContact O-N 2.56Å; M223-H226 PolarHBondContact O-N 3.21Å; L224-H226 VanDerWaalsContact C-N 3.3Å; L224-H226 PolarHBondContact O-N 2.73Å; H226-I230 WeakPolarHBondContact O-CA 3.4Å; H226-I230 VanDerWaalsContact O-CB 3.31Å; H226-I230 WeakPolarHBondContact O-CB 3.04Å; H226-I230 PolarHBondContact O-N 3.27Å |
| 227 | Y | 98.4 | Very high | 98.2 | Very high | 37 Ų | 37 | 64 Ų | 64 | 15% | 0.145 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -68.1 | -37.4 | 176.9 | -81.9 | -60.6 | 0 | 0 | 0 | 112.9 | R92 N95 Q96 M223 L224 | R92-Y227 HydrophobicContact CB-CE1 4.4Å; R92-Y227 HydrophobicContact CG-CE1 4.18Å; R92-Y227 PolarHBondContact NH2-O 3.48Å; R92-Y227 VanDerWaalsContact NH2-O 3.13Å; N95-Y227 HydrophobicContact CB-CE2 4.2Å; N95-Y227 VanDerWaalsContact CB-OH 3.23Å; N95-Y227 WeakPolarHBondContact CB-OH 3.3Å; Q96-Y227 HydrophobicContact CG-CD1 4Å; Q96-Y227 HydrophobicContact CG-CD2 3.49Å; Q96-Y227 VanDerWaalsContact CG-CD2 3.49Å; Q96-Y227 HydrophobicContact CG-CE2 4.1Å; Q96-Y227 HydrophobicContact CG-CG 3.45Å; Q96-Y227 VanDerWaalsContact CG-CG 3.45Å; M223-Y227 HydrophobicContact CE-CD2 4.4Å; M223-Y227 HydrophobicContact CE-CE2 3.8Å; M223-Y227 VanDerWaalsContact O-CD2 3.22Å; M223-Y227 WeakPolarHBondContact O-CD2 3.23Å; M223-Y227 PolarHBondContact O-N 2.85Å; L224-Y227 PolarHBondContact O-N 2.96Å |
| 228 | D | 98.3 | Very high | 98.1 | Very high | 69 Ų | 69 | 68.1 Ų | 68.1 | 37% | 0.369 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -67.2 | -48.8 | 175.6 | -177.4 | 71.1 | 0 | 0 | 0 | 111.5 | V143 L224 | V143-D228 HydrophobicContact CB-CB 4.11Å; V143-D228 HydrophobicContact CG1-CB 3.59Å; L224-D228 WeakPolarHBondContact O-CB 3.19Å; L224-D228 PolarHBondContact O-N 3.29Å |
| 229 | W | 98.1 | Very high | 98.1 | Very high | 180 Ų | 180 | 66.9 Ų | 66.9 | 68% | 0.682 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -69.9 | -44.1 | 179.8 | -176.8 | 31.2 | 0 | 0 | 0 | 112.9 | F225 S231 | F225-W229 HydrophobicContact CE1-CE3 4.44Å; F225-W229 VanDerWaalsContact O-CB 3.32Å; F225-W229 WeakPolarHBondContact O-CB 3.44Å; F225-W229 PolarHBondContact O-N 3.16Å; W229-S231 PolarHBondContact O-N 2.92Å |
| 230 | I | 98.1 | Very high | 98 | Very high | 92 Ų | 92 | 64 Ų | 64 | 47% | 0.472 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -102.8 | 81.8 | -177.2 | -46.9 | -58.3 | 0 | 0 | 0 | 109.4 | R92 H226 | R92-I230 PolarHBondContact NH1-O 3.45Å; R92-I230 PolarHBondContact NH2-O 3.28Å; H226-I230 WeakPolarHBondContact O-CA 3.4Å; H226-I230 VanDerWaalsContact O-CB 3.31Å; H226-I230 WeakPolarHBondContact O-CB 3.04Å; H226-I230 PolarHBondContact O-N 3.27Å |
| 231 | S | 96.3 | Very high | 97.9 | Very high | 76 Ų | 76 | 62 Ų | 62 | 53% | 0.531 | 32% | 0.319 | S | S | . | . | P | Polyproline II helix | trans | -68.5 | 170.9 | 172 | -44.8 | 0 | 0 | 0 | 0 | 112.1 | W229 | W229-S231 PolarHBondContact O-N 2.92Š|
| 232 | I | 97.3 | Very high | 97.8 | Very high | 11 Ų | 11 | 67 Ų | 67 | 6% | 0.056 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -60 | 136.4 | 168.6 | -60.9 | 177 | 0 | 0 | 0 | 108.4 | Y85 L88 V89 L234 Y236 | Y85-I232 HydrophobicContact CE2-CD1 4.37Å; Y85-I232 HydrophobicContact CE2-CG2 3.95Å; L88-I232 HydrophobicContact CD2-CD1 4.24Å; L88-I232 HydrophobicContact CD2-CG1 4.37Å; L88-I232 HydrophobicContact CD2-CG2 4.11Å; L88-I232 HydrophobicContact CG-CD1 4.24Å; V89-I232 HydrophobicContact CB-CD1 4.36Å; V89-I232 HydrophobicContact CG2-CD1 3.39Å; I232-L234 PolarHBondContact O-N 2.77Å; I232-Y236 HydrophobicContact CG2-CD1 4.16Å |
| 233 | P | 98.4 | Very high | 97.6 | Very high | 80 Ų | 80 | 67.8 Ų | 67.8 | 52% | 0.519 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -50.8 | 127.2 | -178.7 | -29.6 | 35.7 | 0 | 0 | 0 | 112.1 | V235 Y236 T237 | P233-V235 HydrophobicContact CB-CG1 4.19Å; P233-V235 PolarHBondContact O-N 3.05Å; P233-V235 VanDerWaalsContact O-N 3.16Å; P233-Y236 WeakPolarHBondContact O-CB 3.39Å; P233-Y236 PolarHBondContact O-N 2.93Å; P233-T237 PolarHBondContact O-N 3.5Å |
| 234 | L | 98 | Very high | 97.5 | Very high | 120 Ų | 120 | 64.6 Ų | 64.6 | 63% | 0.628 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -53.1 | -41.9 | -175.6 | 176.3 | 61.3 | 0 | 0 | 0 | 112.1 | I232 Y236 T237 Q238 | I232-L234 PolarHBondContact O-N 2.77Å; L234-Y236 PolarHBondContact O-N 2.74Å; L234-T237 PolarHBondContact O-N 2.91Å; L234-Q238 HydrophobicContact CD1-CG 4.18Å; L234-Q238 HydrophobicContact CG-CG 4.28Å; L234-Q238 WeakPolarHBondContact O-CG 3.46Å; L234-Q238 PolarHBondContact O-N 3.41Å |
| 235 | V | 98.2 | Very high | 97.4 | Very high | 95 Ų | 95 | 70.6 Ų | 70.6 | 58% | 0.576 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -56.6 | -35.7 | 177.2 | 63.6 | 0 | 0 | 0 | 0 | 112.3 | P233 Q238 V239 | P233-V235 HydrophobicContact CB-CG1 4.19Å; P233-V235 PolarHBondContact O-N 3.05Å; P233-V235 VanDerWaalsContact O-N 3.16Å; V235-Q238 PolarHBondContact O-N 3.26Å; V235-V239 HydrophobicContact CG2-CG2 4.45Å; V235-V239 WeakPolarHBondContact O-CB 3.39Å; V235-V239 VanDerWaalsContact O-CG2 3.23Å; V235-V239 WeakPolarHBondContact O-CG2 3.23Å; V235-V239 PolarHBondContact O-N 3.26Å |
| 236 | Y | 97.9 | Very high | 97.3 | Very high | 70 Ų | 70 | 70.3 Ų | 70.3 | 28% | 0.275 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -71.7 | -45.3 | 179.8 | -166.7 | -171.2 | 0 | 0 | 0 | 111 | Y85 L88 I232 P233 L234 Q238 V239 V240 | Y85-Y236 HydrophobicContact CD2-CD1 4.08Å; Y85-Y236 HydrophobicContact CD2-CD2 4.2Å; Y85-Y236 HydrophobicContact CD2-CE1 4.08Å; Y85-Y236 HydrophobicContact CD2-CE2 4.18Å; Y85-Y236 HydrophobicContact CD2-CG 4.14Å; Y85-Y236 PolarHBondContact N-OH 2.84Å; L88-Y236 HydrophobicContact CD2-CD1 4.15Å; L88-Y236 HydrophobicContact CD2-CE1 3.88Å; I232-Y236 HydrophobicContact CG2-CD1 4.16Å; P233-Y236 WeakPolarHBondContact O-CB 3.39Å; P233-Y236 PolarHBondContact O-N 2.93Å; L234-Y236 PolarHBondContact O-N 2.74Å; Y236-Q238 VanDerWaalsContact C-N 3.28Å; Y236-Q238 PolarHBondContact O-N 3.46Å; Y236-V239 PolarHBondContact O-N 2.99Å; Y236-V240 HydrophobicContact CD2-CG2 3.94Å; Y236-V240 HydrophobicContact CE2-CG2 3.88Å; Y236-V240 VanDerWaalsContact O-CG2 3.27Å; Y236-V240 WeakPolarHBondContact O-CG2 3.29Å; Y236-V240 PolarHBondContact O-N 3.42Å; Y236-V240 VanDerWaalsContact O-N 3.11Å |
| 237 | T | 97.9 | Very high | 97.1 | Very high | 33 Ų | 33 | 66.3 Ų | 66.3 | 20% | 0.202 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -57.3 | -42.3 | 172.8 | -58.6 | 0 | 0 | 0 | 0 | 111.4 | Y85 P233 L234 T241 | Y85-T237 WeakPolarHBondContact OH-CG2 3.28Å; Y85-T237 PolarHBondContact OH-OG1 3.39Å; P233-T237 PolarHBondContact O-N 3.5Å; L234-T237 PolarHBondContact O-N 2.91Å; T237-T241 WeakPolarHBondContact O-CB 3.5Å; T237-T241 PolarHBondContact O-N 2.76Å; T237-T241 PolarHBondContact O-OG1 3.49Å |
| 238 | Q | 98 | Very high | 97.1 | Very high | 95 Ų | 95 | 65.2 Ų | 65.2 | 44% | 0.444 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -64.1 | -46.6 | 176.9 | -73.2 | 174.2 | -23.5 | 0 | 0 | 112.3 | L234 V235 Y236 V240 T241 I242 | L234-Q238 HydrophobicContact CD1-CG 4.18Å; L234-Q238 HydrophobicContact CG-CG 4.28Å; L234-Q238 WeakPolarHBondContact O-CG 3.46Å; L234-Q238 PolarHBondContact O-N 3.41Å; V235-Q238 PolarHBondContact O-N 3.26Å; Y236-Q238 VanDerWaalsContact C-N 3.28Å; Y236-Q238 PolarHBondContact O-N 3.46Å; Q238-V240 VanDerWaalsContact C-N 3.32Å; Q238-V240 PolarHBondContact O-N 3.31Å; Q238-T241 PolarHBondContact O-N 2.92Å; Q238-I242 WeakPolarHBondContact O-CB 3.45Å; Q238-I242 VanDerWaalsContact O-CG1 3.25Å; Q238-I242 WeakPolarHBondContact O-CG1 3.45Å; Q238-I242 PolarHBondContact O-N 3.32Å |
| 239 | V | 96.8 | Very high | 96.9 | Very high | 76 Ų | 76 | 67 Ų | 67 | 46% | 0.461 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -57.9 | -45.4 | 178.9 | 165.3 | 0 | 0 | 0 | 0 | 111.2 | V81 V235 Y236 I242 A243 | V81-V239 HydrophobicContact CG2-CG1 4.45Å; V235-V239 HydrophobicContact CG2-CG2 4.45Å; V235-V239 WeakPolarHBondContact O-CB 3.39Å; V235-V239 VanDerWaalsContact O-CG2 3.23Å; V235-V239 WeakPolarHBondContact O-CG2 3.23Å; V235-V239 PolarHBondContact O-N 3.26Å; Y236-V239 PolarHBondContact O-N 2.99Å; V239-I242 PolarHBondContact O-N 2.71Å; V239-A243 WeakPolarHBondContact O-CB 3.37Å; V239-A243 PolarHBondContact O-N 3.4Å |
| 240 | V | 97 | Very high | 96.8 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -64.7 | -45.1 | 179 | 179.5 | 0 | 0 | 0 | 0 | 110.4 | V81 L82 Y85 Y236 Q238 I242 A243 V244 L288 | V81-V240 HydrophobicContact CG2-CG2 3.79Å; L82-V240 HydrophobicContact CG-CG1 4.44Å; Y85-V240 HydrophobicContact CD1-CB 4.31Å; Y85-V240 HydrophobicContact CD1-CG1 3.92Å; Y85-V240 HydrophobicContact CD1-CG2 4.05Å; Y85-V240 HydrophobicContact CD2-CG2 3.75Å; Y85-V240 HydrophobicContact CE1-CG1 4.47Å; Y85-V240 HydrophobicContact CE2-CG2 4.41Å; Y85-V240 HydrophobicContact CG-CB 4.29Å; Y85-V240 HydrophobicContact CG-CG1 4.22Å; Y85-V240 HydrophobicContact CG-CG2 3.53Å; Y236-V240 HydrophobicContact CD2-CG2 3.94Å; Y236-V240 HydrophobicContact CE2-CG2 3.88Å; Y236-V240 VanDerWaalsContact O-CG2 3.27Å; Y236-V240 WeakPolarHBondContact O-CG2 3.29Å; Y236-V240 PolarHBondContact O-N 3.42Å; Y236-V240 VanDerWaalsContact O-N 3.11Å; Q238-V240 VanDerWaalsContact C-N 3.32Å; Q238-V240 PolarHBondContact O-N 3.31Å; V240-I242 PolarHBondContact O-N 3.18Å; V240-A243 PolarHBondContact O-N 3.32Å; V240-V244 WeakPolarHBondContact O-CG2 3.47Å; V240-V244 PolarHBondContact O-N 3.38Å; V240-L288 HydrophobicContact CG1-CD1 4.04Å |
| 241 | T | 97.2 | Very high | 96.7 | Very high | 36 Ų | 36 | 54.7 Ų | 54.7 | 22% | 0.221 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.5 | -46.1 | 178.9 | -54.7 | 0 | 0 | 0 | 0 | 111.3 | T237 Q238 A243 V244 Y245 | T237-T241 WeakPolarHBondContact O-CB 3.5Å; T237-T241 PolarHBondContact O-N 2.76Å; T237-T241 PolarHBondContact O-OG1 3.49Å; Q238-T241 PolarHBondContact O-N 2.92Å; T241-A243 VanDerWaalsContact C-N 3.33Å; T241-A243 PolarHBondContact O-N 3.02Å; T241-V244 PolarHBondContact O-N 3.02Å; T241-Y245 HydrophobicContact CG2-CD2 3.74Å; T241-Y245 HydrophobicContact CG2-CE1 4.42Å; T241-Y245 HydrophobicContact CG2-CE2 3.52Å; T241-Y245 HydrophobicContact CG2-CG 4.29Å; T241-Y245 WeakPolarHBondContact O-CB 3.25Å; T241-Y245 PolarHBondContact O-N 2.94Å |
| 242 | I | 95.9 | Very high | 96.8 | Very high | 107 Ų | 107 | 52.3 Ų | 52.3 | 55% | 0.549 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61 | -43.3 | 177.1 | -71 | 166.4 | 0 | 0 | 0 | 110.5 | Q238 V239 V240 V244 S246 | Q238-I242 WeakPolarHBondContact O-CB 3.45Å; Q238-I242 VanDerWaalsContact O-CG1 3.25Å; Q238-I242 WeakPolarHBondContact O-CG1 3.45Å; Q238-I242 PolarHBondContact O-N 3.32Å; V239-I242 PolarHBondContact O-N 2.71Å; V240-I242 PolarHBondContact O-N 3.18Å; I242-V244 PolarHBondContact O-N 3.49Å; I242-S246 WeakPolarHBondContact O-CB 3.41Å; I242-S246 PolarHBondContact O-N 3.45Å; I242-S246 PolarHBondContact O-OG 3.19Å |
| 243 | A | 94.8 | Very high | 96.8 | Very high | 21 Ų | 21 | 53.4 Ų | 53.4 | 17% | 0.174 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.9 | -46.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | V81 V239 V240 T241 Y247 | V81-A243 HydrophobicContact CG1-CB 4.07Å; V239-A243 WeakPolarHBondContact O-CB 3.37Å; V239-A243 PolarHBondContact O-N 3.4Å; V240-A243 PolarHBondContact O-N 3.32Å; T241-A243 VanDerWaalsContact C-N 3.33Å; T241-A243 PolarHBondContact O-N 3.02Å; A243-Y247 WeakPolarHBondContact O-CB 3.46Å; A243-Y247 PolarHBondContact O-N 3.25Å; A243-Y247 VanDerWaalsContact O-N 3.08Å |
| 244 | V | 96.2 | Very high | 96.7 | Very high | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.006 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -66.8 | -46.5 | 179 | 177.6 | 0 | 0 | 0 | 0 | 111.5 | V78 L82 V240 T241 I242 Y247 F248 L288 | V78-V244 HydrophobicContact CG1-CG2 3.77Å; L82-V244 HydrophobicContact CD1-CG2 3.49Å; L82-V244 VanDerWaalsContact CD1-CG2 3.49Å; V240-V244 WeakPolarHBondContact O-CG2 3.47Å; V240-V244 PolarHBondContact O-N 3.38Å; T241-V244 PolarHBondContact O-N 3.02Å; I242-V244 PolarHBondContact O-N 3.49Å; V244-Y247 WeakPolarHBondContact O-CB 3Å; V244-Y247 PolarHBondContact O-N 3.2Å; V244-F248 HydrophobicContact CG1-CD2 3.77Å; V244-F248 HydrophobicContact CG1-CE2 3.62Å; V244-F248 VanDerWaalsContact O-CD2 3.28Å; V244-F248 WeakPolarHBondContact O-CD2 3.43Å; V244-F248 PolarHBondContact O-N 3.31Å; V244-L288 HydrophobicContact CB-CD2 4.2Å; V244-L288 HydrophobicContact CG1-CD2 4.06Å; V244-L288 HydrophobicContact CG2-CD2 4.3Å |
| 245 | Y | 96.4 | Very high | 96.6 | Very high | 127 Ų | 127 | 46.4 Ų | 46.4 | 50% | 0.498 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -71.1 | -36.1 | -177.5 | -71.1 | -0.9 | 0 | 0 | 0 | 112.4 | T241 Y247 F248 L249 L288 | T241-Y245 HydrophobicContact CG2-CD2 3.74Å; T241-Y245 HydrophobicContact CG2-CE1 4.42Å; T241-Y245 HydrophobicContact CG2-CE2 3.52Å; T241-Y245 HydrophobicContact CG2-CG 4.29Å; T241-Y245 WeakPolarHBondContact O-CB 3.25Å; T241-Y245 PolarHBondContact O-N 2.94Å; Y245-Y247 VanDerWaalsContact C-N 3.33Å; Y245-F248 PolarHBondContact O-N 3.33Å; Y245-L249 WeakPolarHBondContact O-CB 3.27Å; Y245-L249 PolarHBondContact O-N 3.21Å; Y245-L288 HydrophobicContact CE1-CD2 4.24Å |
| 246 | S | 94.9 | Very high | 96.5 | Very high | 54 Ų | 54 | 42 Ų | 42 | 38% | 0.378 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -66.7 | -37.2 | 174.2 | -55.9 | 0 | 0 | 0 | 0 | 111.4 | I242 L249 A250 | I242-S246 WeakPolarHBondContact O-CB 3.41Å; I242-S246 PolarHBondContact O-N 3.45Å; I242-S246 PolarHBondContact O-OG 3.19Å; S246-L249 PolarHBondContact O-N 2.94Å; S246-A250 PolarHBondContact O-N 3.23Å |
| 247 | Y | 96 | Very high | 96.4 | Very high | 13 Ų | 13 | 40.4 Ų | 40.4 | 5% | 0.051 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.4 | -49.2 | 172 | 171.3 | -97.7 | 0 | 0 | 0 | 111.5 | A73 I76 V78 A243 V244 Y245 L249 A250 C251 Q280 Y284 | A73-Y247 HydrophobicContact CB-CE2 4.43Å; A73-Y247 WeakPolarHBondContact O-CE2 3.46Å; I76-Y247 HydrophobicContact CD1-CD2 4.49Å; V78-Y247 HydrophobicContact CG2-CD2 4.01Å; V78-Y247 HydrophobicContact CG2-CG 3.83Å; A243-Y247 WeakPolarHBondContact O-CB 3.46Å; A243-Y247 PolarHBondContact O-N 3.25Å; A243-Y247 VanDerWaalsContact O-N 3.08Å; V244-Y247 WeakPolarHBondContact O-CB 3Å; V244-Y247 PolarHBondContact O-N 3.2Å; Y245-Y247 VanDerWaalsContact C-N 3.33Å; Y247-L249 VanDerWaalsContact C-N 3.34Å; Y247-L249 PolarHBondContact O-N 3.4Å; Y247-A250 WeakPolarHBondContact O-CB 3.47Å; Y247-A250 PolarHBondContact O-N 3.45Å; Y247-C251 PolarHBondContact O-N 2.92Å; Y247-C251 PolarHBondContact O-SG 3.09Å; Y247-C251 VanDerWaalsContact O-SG 3.37Å; Y247-Q280 PolarHBondContact OH-OE1 3.1Å; Y247-Q280 VanDerWaalsContact OH-OE1 3.13Å; Y247-Y284 HydrophobicContact CD1-CD2 4.43Å; Y247-Y284 AromaticContact CE1-CD2 3.71Å; Y247-Y284 HydrophobicContact CE1-CD2 3.71Å; Y247-Y284 AromaticContact CE1-CE2 3.97Å; Y247-Y284 HydrophobicContact CE1-CE2 3.97Å; Y247-Y284 AromaticContact CZ-CE2 3.93Å |
| 248 | F | 96.6 | Very high | 96.3 | Very high | 13 Ų | 13 | 39 Ų | 39 | 6% | 0.057 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -70.4 | -28.2 | 178.6 | -74 | -56.9 | 0 | 0 | 0 | 113.9 | F39 V244 Y245 C251 L252 F281 Y284 A285 | F39-F248 HydrophobicContact CE2-CB 4.3Å; F39-F248 HydrophobicContact CE2-CD1 4.31Å; V244-F248 HydrophobicContact CG1-CD2 3.77Å; V244-F248 HydrophobicContact CG1-CE2 3.62Å; V244-F248 VanDerWaalsContact O-CD2 3.28Å; V244-F248 WeakPolarHBondContact O-CD2 3.43Å; V244-F248 PolarHBondContact O-N 3.31Å; Y245-F248 PolarHBondContact O-N 3.33Å; F248-C251 PolarHBondContact O-N 3.18Å; F248-L252 VanDerWaalsContact O-CB 3.3Å; F248-L252 WeakPolarHBondContact O-CB 3.17Å; F248-L252 PolarHBondContact O-N 2.85Å; F248-F281 AromaticContact CD1-CD2 3.75Å; F248-F281 HydrophobicContact CD1-CD2 3.75Å; F248-F281 HydrophobicContact CD1-CE2 4.44Å; F248-F281 HydrophobicContact CD2-CD2 4.26Å; F248-F281 HydrophobicContact CD2-CE2 4.32Å; F248-F281 HydrophobicContact CE1-CB 3.95Å; F248-F281 AromaticContact CE1-CD2 3.59Å; F248-F281 HydrophobicContact CE1-CD2 3.59Å; F248-F281 HydrophobicContact CE1-CG 4.17Å; F248-F281 HydrophobicContact CE2-CD2 4.1Å; F248-F281 HydrophobicContact CE2-CE2 4.38Å; F248-F281 HydrophobicContact CG-CD2 4.1Å; F248-F281 HydrophobicContact CG-CE2 4.35Å; F248-F281 HydrophobicContact CZ-CB 4.23Å; F248-F281 AromaticContact CZ-CD2 3.77Å; F248-F281 HydrophobicContact CZ-CD2 3.77Å; F248-F281 HydrophobicContact CZ-CE2 4.49Å; F248-F281 HydrophobicContact CZ-CG 4.24Å; F248-Y284 HydrophobicContact CZ-CD2 4.5Å; F248-A285 HydrophobicContact CE2-CB 3.98Å; F248-A285 HydrophobicContact CZ-CB 4.37Å |
| 249 | L | 95.9 | Very high | 96.1 | Very high | 107 Ų | 107 | 37.1 Ų | 37.1 | 56% | 0.56 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -63 | -45.2 | 169.5 | 179.5 | 63.1 | 0 | 0 | 0 | 110.9 | Y245 S246 Y247 L252 | Y245-L249 WeakPolarHBondContact O-CB 3.27Å; Y245-L249 PolarHBondContact O-N 3.21Å; S246-L249 PolarHBondContact O-N 2.94Å; Y247-L249 VanDerWaalsContact C-N 3.34Å; Y247-L249 PolarHBondContact O-N 3.4Å; L249-L252 PolarHBondContact O-N 3.18Å |
| 250 | A | 95.9 | Very high | 96 | Very high | 13 Ų | 13 | 36.3 Ų | 36.3 | 11% | 0.107 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.8 | -42.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | A73 S246 Y247 L252 I253 G254 | A73-A250 HydrophobicContact CB-CB 4.01Å; S246-A250 PolarHBondContact O-N 3.23Å; Y247-A250 WeakPolarHBondContact O-CB 3.47Å; Y247-A250 PolarHBondContact O-N 3.45Å; A250-L252 PolarHBondContact O-N 3.17Å; A250-I253 PolarHBondContact O-N 3.13Å; A250-G254 WeakPolarHBondContact O-CA 3.21Å; A250-G254 PolarHBondContact O-N 3.46Å |
| 251 | C | 96.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -66.8 | -33.7 | 176.7 | -67.4 | 0 | 0 | 0 | 0 | 113.6 | Y247 F248 I253 R255 T277 | Y247-C251 PolarHBondContact O-N 2.92Å; Y247-C251 PolarHBondContact O-SG 3.09Å; Y247-C251 VanDerWaalsContact O-SG 3.37Å; F248-C251 PolarHBondContact O-N 3.18Å; C251-I253 PolarHBondContact O-N 3.47Å; C251-R255 HydrophobicContact CB-CG 4.13Å; C251-R255 VanDerWaalsContact O-CB 3.24Å; C251-R255 WeakPolarHBondContact O-CB 3.25Å; C251-R255 WeakPolarHBondContact O-CG 3.47Å; C251-R255 PolarHBondContact O-N 3.02Å; C251-T277 HydrophobicContact CB-CG2 4.28Å |
| 252 | L | 97.4 | Very high | 95.5 | Very high | 26 Ų | 26 | 42.2 Ų | 42.2 | 14% | 0.136 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -58.8 | -35.9 | 179.9 | -177.1 | 65.3 | 0 | 0 | 0 | 111.9 | F39 L42 Y43 F248 L249 A250 Q256 | F39-L252 HydrophobicContact CD2-CD1 4.35Å; F39-L252 HydrophobicContact CE2-CB 4.23Å; F39-L252 HydrophobicContact CE2-CD1 4.1Å; L42-L252 HydrophobicContact CB-CD1 3.94Å; L42-L252 HydrophobicContact CB-CD2 4.11Å; L42-L252 HydrophobicContact CD1-CD2 4.37Å; Y43-L252 HydrophobicContact CD2-CD1 4.4Å; F248-L252 VanDerWaalsContact O-CB 3.3Å; F248-L252 WeakPolarHBondContact O-CB 3.17Å; F248-L252 PolarHBondContact O-N 2.85Å; L249-L252 PolarHBondContact O-N 3.18Å; A250-L252 PolarHBondContact O-N 3.17Å; L252-Q256 WeakPolarHBondContact O-CG 3.4Å; L252-Q256 PolarHBondContact O-NE2 3.29Å |
| 253 | I | 97.1 | Very high | 95.2 | Very high | 34 Ų | 34 | 39.9 Ų | 39.9 | 17% | 0.174 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -94.3 | -54.3 | 177.9 | -55.6 | 168.6 | 0 | 0 | 0 | 109.9 | L46 F62 L65 V66 C69 A250 C251 R255 Q256 | L46-I253 HydrophobicContact CD2-CG1 4.09Å; F62-I253 HydrophobicContact CE2-CG2 4.49Å; L65-I253 HydrophobicContact CD2-CG2 4.13Å; L65-I253 HydrophobicContact CG-CG2 4.01Å; V66-I253 HydrophobicContact CG2-CG2 4.22Å; V66-I253 WeakPolarHBondContact CG2-O 3.27Å; C69-I253 HydrophobicContact CB-CB 4.16Å; C69-I253 HydrophobicContact CB-CG2 4.29Å; A250-I253 PolarHBondContact O-N 3.13Å; C251-I253 PolarHBondContact O-N 3.47Å; I253-R255 PolarHBondContact O-N 3.42Å; I253-R255 VanDerWaalsContact O-N 3.14Å; I253-Q256 WeakPolarHBondContact O-CB 3.24Å; I253-Q256 VanDerWaalsContact O-CG 3.23Å; I253-Q256 WeakPolarHBondContact O-CG 3.35Å; I253-Q256 PolarHBondContact O-N 2.8Å; I253-Q256 VanDerWaalsContact O-N 3.13Å |
| 254 | G | 95.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66.3 | -16.6 | -172.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | V66 A250 | V66-G254 WeakPolarHBondContact CG1-O 3.38Å; V66-G254 VanDerWaalsContact O-CA 3.32Å; V66-G254 WeakPolarHBondContact O-CA 3.27Å; A250-G254 WeakPolarHBondContact O-CA 3.21Å; A250-G254 PolarHBondContact O-N 3.46Å |
| 255 | R | 95.8 | Very high | 94.7 | Very high | 54 Ų | 54 | 49.5 Ų | 49.5 | 20% | 0.204 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.4 | 18 | 177 | -54.8 | -67.3 | 170.1 | 67.5 | 2.4 | 113.1 | Y43 D70 C251 I253 T277 | Y43-R255 WeakPolarHBondContact CE2-O 3.5Å; Y43-R255 PolarHBondContact OH-O 3.22Å; D70-R255 IonicContact OD1-CZ 3.73Å; D70-R255 IonicContact OD1-NE 3.98Å; D70-R255 PolarHBondContact OD1-NE 2.92Å; D70-R255 IonicContact OD1-NH2 2.81Å; D70-R255 PolarHBondContact OD1-NH2 3.32Å; C251-R255 HydrophobicContact CB-CG 4.13Å; C251-R255 VanDerWaalsContact O-CB 3.24Å; C251-R255 WeakPolarHBondContact O-CB 3.25Å; C251-R255 WeakPolarHBondContact O-CG 3.47Å; C251-R255 PolarHBondContact O-N 3.02Å; I253-R255 PolarHBondContact O-N 3.42Å; I253-R255 VanDerWaalsContact O-N 3.14Å; R255-T277 HydrophobicContact CB-CG2 4.26Å; R255-T277 HydrophobicContact CG-CG2 4.2Å |
| 256 | Q | 97 | Very high | 94.3 | Very high | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.009 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -70 | 136.5 | 172.3 | -70.3 | -72.1 | -20.7 | 0 | 0 | 110.2 | Y43 L46 S47 F62 V66 L252 I253 L258 | Y43-Q256 HydrophobicContact CE2-CG 4.29Å; Y43-Q256 PolarHBondContact O-NE2 3.01Å; Y43-Q256 VanDerWaalsContact O-NE2 3.08Å; L46-Q256 HydrophobicContact CD2-CG 4.05Å; S47-Q256 VanDerWaalsContact CB-OE1 3.31Å; S47-Q256 PolarHBondContact OG-OE1 3.38Å; F62-Q256 HydrophobicContact CE1-CB 4.14Å; F62-Q256 HydrophobicContact CE1-CG 4.37Å; F62-Q256 HydrophobicContact CZ-CB 4.28Å; F62-Q256 HydrophobicContact CZ-CG 4.01Å; V66-Q256 HydrophobicContact CG2-CB 4.11Å; L252-Q256 WeakPolarHBondContact O-CG 3.4Å; L252-Q256 PolarHBondContact O-NE2 3.29Å; I253-Q256 WeakPolarHBondContact O-CB 3.24Å; I253-Q256 VanDerWaalsContact O-CG 3.23Å; I253-Q256 WeakPolarHBondContact O-CG 3.35Å; I253-Q256 PolarHBondContact O-N 2.8Å; I253-Q256 VanDerWaalsContact O-N 3.13Å; Q256-L258 PolarHBondContact O-N 3.29Å |
| 257 | F | 96.2 | Very high | 94.2 | Very high | 36 Ų | 36 | 49 Ų | 49 | 16% | 0.158 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -72.8 | 120 | 173.8 | -67.1 | -67.6 | 0 | 0 | 0 | 109.9 | Y43 L269 D270 L271 P274 | Y43-F257 WeakPolarHBondContact OH-CD2 3.15Å; F257-L269 WeakPolarHBondContact CD1-O 3.29Å; F257-D270 HydrophobicContact CB-CB 4.13Å; F257-D270 VanDerWaalsContact CB-OD1 3.25Å; F257-D270 WeakPolarHBondContact CB-OD1 3.38Å; F257-D270 WeakPolarHBondContact CD2-OD1 3.47Å; F257-D270 HydrophobicContact CG-CB 4.49Å; F257-D270 WeakPolarHBondContact CG-OD1 3.49Å; F257-L271 HydrophobicContact CE1-CB 4.4Å; F257-L271 HydrophobicContact CE2-CB 4.01Å; F257-L271 HydrophobicContact CZ-CB 3.73Å; F257-L271 HydrophobicContact CZ-CD1 4.33Å; F257-L271 HydrophobicContact CZ-CG 4.22Å; F257-P274 HydrophobicContact CE2-CB 4.15Å; F257-P274 HydrophobicContact CZ-CB 4.48Å |
| 258 | L | 95.4 | Very high | 93.9 | Very high | 3 Ų | 3 | 53.3 Ų | 53.3 | 2% | 0.016 | 30% | 0.297 | C | S | . | . | P | Polyproline II helix | trans | -88 | 165.2 | 178.2 | -56.4 | -176.6 | 0 | 0 | 0 | 110.9 | E63 V66 Q256 P260 Y264 H267 | E63-L258 HydrophobicContact CB-CD1 4.19Å; E63-L258 HydrophobicContact CB-CD2 4.38Å; E63-L258 HydrophobicContact CG-CB 4.49Å; E63-L258 HydrophobicContact CG-CD1 4.11Å; E63-L258 HydrophobicContact CG-CD2 3.77Å; E63-L258 HydrophobicContact CG-CG 4.34Å; V66-L258 HydrophobicContact CB-CD1 4.47Å; V66-L258 HydrophobicContact CB-CD2 4.01Å; V66-L258 HydrophobicContact CG1-CD1 4.23Å; V66-L258 HydrophobicContact CG1-CD2 4Å; V66-L258 HydrophobicContact CG1-CG 4.24Å; V66-L258 HydrophobicContact CG2-CD2 3.83Å; Q256-L258 PolarHBondContact O-N 3.29Å; L258-P260 WeakPolarHBondContact O-CD 3.47Å; L258-Y264 HydrophobicContact CD1-CD2 3.97Å; L258-Y264 HydrophobicContact CD1-CG 4.44Å; L258-H267 HydrophobicContact CB-CB 4.36Å; L258-H267 HydrophobicContact CD1-CB 4.34Å |
| 259 | D | 94.1 | Very high | 93.6 | Very high | 56 Ų | 56 | 57.7 Ų | 57.7 | 30% | 0.299 | 32% | 0.321 | S | S | . | . | trans | -60.4 | 113.1 | 173.8 | 174.8 | 15.8 | 0 | 0 | 0 | 111.5 | Y50 A261 Q262 | Y50-D259 WeakPolarHBondContact OH-CB 3.47Å; Y50-D259 PolarHBondContact OH-N 3.31Å; D259-A261 PolarHBondContact O-N 3.05Å; D259-A261 VanDerWaalsContact O-N 3.16Å; D259-A261 VanDerWaalsContact OD1-CB 3.31Å; D259-A261 WeakPolarHBondContact OD1-CB 3.48Å; D259-A261 PolarHBondContact OD1-N 2.97Å; D259-Q262 HydrophobicContact CB-CG 3.9Å; D259-Q262 WeakPolarHBondContact O-CB 3.33Å; D259-Q262 PolarHBondContact O-N 3.06Å; D259-Q262 VanDerWaalsContact O-N 3.15Å; D259-Q262 PolarHBondContact OD2-NE2 3.46Å | ||
| 260 | P | 93.5 | Very high | 93.4 | Very high | 59 Ų | 59 | 55.3 Ų | 55.3 | 38% | 0.383 | 31% | 0.308 | S | S | . | . | G | 310 helix | trans | -61.3 | -24.7 | -179.6 | -24.7 | 36.4 | 0 | 0 | 0 | 113.7 | L258 Q262 G263 D270 | L258-P260 WeakPolarHBondContact O-CD 3.47Å; P260-Q262 PolarHBondContact O-N 3.31Å; P260-G263 PolarHBondContact O-N 3.1Å; P260-D270 HydrophobicContact CG-CB 4.5Å |
| 261 | A | 92.6 | Very high | 93.2 | Very high | 85 Ų | 85 | 59 Ų | 59 | 70% | 0.702 | 33% | 0.326 | S | S | * | . | G | 310 helix | trans | -66 | -19.3 | 180 | 0 | 0 | 0 | 0 | 0 | 112.9 | D259 G263 | D259-A261 PolarHBondContact O-N 3.05Å; D259-A261 VanDerWaalsContact O-N 3.16Å; D259-A261 VanDerWaalsContact OD1-CB 3.31Å; D259-A261 WeakPolarHBondContact OD1-CB 3.48Å; D259-A261 PolarHBondContact OD1-N 2.97Å; A261-G263 VanDerWaalsContact C-N 3.29Å; A261-G263 PolarHBondContact O-N 3.23Å |
| 262 | Q | 91.4 | Very high | 92.9 | Very high | 75 Ų | 75 | 62.2 Ų | 62.2 | 35% | 0.35 | 35% | 0.347 | S | S | . | . | G | 310 helix | trans | -78.5 | -13.5 | 178.7 | -55.2 | -57.4 | -40.2 | 0 | 0 | 113.5 | R60 D259 P260 Y264 | R60-Q262 VanDerWaalsContact NH1-OE1 3.15Å; D259-Q262 HydrophobicContact CB-CG 3.9Å; D259-Q262 WeakPolarHBondContact O-CB 3.33Å; D259-Q262 PolarHBondContact O-N 3.06Å; D259-Q262 VanDerWaalsContact O-N 3.15Å; D259-Q262 PolarHBondContact OD2-NE2 3.46Å; P260-Q262 PolarHBondContact O-N 3.31Å; Q262-Y264 VanDerWaalsContact C-N 3.32Å; Q262-Y264 HydrophobicContact CB-CD2 3.65Å; Q262-Y264 HydrophobicContact CB-CE2 3.48Å; Q262-Y264 VanDerWaalsContact CB-CE2 3.48Å; Q262-Y264 HydrophobicContact CG-CE2 4.07Å; Q262-Y264 PolarHBondContact O-N 3.38Å |
| 263 | G | 91 | Very high | 92.7 | Very high | 58 Ų | 58 | 63.9 Ų | 63.9 | 60% | 0.598 | 36% | 0.359 | S | S | * | . | trans | 66.2 | 28.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | P260 A261 | P260-G263 PolarHBondContact O-N 3.1Å; A261-G263 VanDerWaalsContact C-N 3.29Å; A261-G263 PolarHBondContact O-N 3.23Å | ||
| 264 | Y | 92.4 | Very high | 92.6 | Very high | 52 Ų | 52 | 62.5 Ų | 62.5 | 20% | 0.204 | 35% | 0.352 | C | S | . | . | trans | -64.5 | 136.8 | 173.6 | -70.1 | -63.7 | 0 | 0 | 0 | 111.3 | E63 M67 L258 Q262 D266 H267 | E63-Y264 HydrophobicContact CB-CE2 3.91Å; E63-Y264 HydrophobicContact CG-CE2 3.92Å; E63-Y264 WeakPolarHBondContact OE2-CE2 3.42Å; E63-Y264 PolarHBondContact OE2-OH 2.83Å; E63-Y264 VanDerWaalsContact OE2-OH 3.09Å; M67-Y264 HydrophobicContact CE-CD1 4.02Å; M67-Y264 HydrophobicContact CE-CE1 3.76Å; M67-Y264 HydrophobicContact SD-CD1 3.85Å; M67-Y264 HydrophobicContact SD-CE1 4.22Å; L258-Y264 HydrophobicContact CD1-CD2 3.97Å; L258-Y264 HydrophobicContact CD1-CG 4.44Å; Q262-Y264 VanDerWaalsContact C-N 3.32Å; Q262-Y264 HydrophobicContact CB-CD2 3.65Å; Q262-Y264 HydrophobicContact CB-CE2 3.48Å; Q262-Y264 VanDerWaalsContact CB-CE2 3.48Å; Q262-Y264 HydrophobicContact CG-CE2 4.07Å; Q262-Y264 PolarHBondContact O-N 3.38Å; Y264-D266 PolarHBondContact O-N 3.14Å; Y264-H267 PolarHBondContact O-N 3.4Å | ||
| 265 | K | 88.3 | Confident | 92.7 | Very high | 172 Ų | 172 | 67 Ų | 67 | 75% | 0.748 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | 135.5 | 177.6 | -166.9 | -175.5 | 173 | -173.6 | 0 | 109.9 | H267 | K265-H267 PolarHBondContact O-N 3.49Å; K265-H267 VanDerWaalsContact O-N 3.12Å; K265-H267 PolarHBondContact O-ND1 3.35Å |
| 266 | D | 87.9 | Confident | 92.6 | Very high | 139 Ų | 139 | 71.8 Ų | 71.8 | 74% | 0.743 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.1 | 7.4 | -179.4 | -50.1 | -42.2 | 0 | 0 | 0 | 115.4 | Y264 | Y264-D266 PolarHBondContact O-N 3.14Š|
| 267 | H | 90.9 | Very high | 92.6 | Very high | 31 Ų | 31 | 72.3 Ų | 72.3 | 14% | 0.144 | 40% | 0.4 | C | S | . | . | trans | -125.8 | 47.6 | 179.3 | -61.9 | 76.5 | 0 | 0 | 0 | 111.8 | L258 Y264 K265 | L258-H267 HydrophobicContact CB-CB 4.36Å; L258-H267 HydrophobicContact CD1-CB 4.34Å; Y264-H267 PolarHBondContact O-N 3.4Å; K265-H267 PolarHBondContact O-N 3.49Å; K265-H267 VanDerWaalsContact O-N 3.12Å; K265-H267 PolarHBondContact O-ND1 3.35Å | ||
| 268 | T | 89.9 | Confident | 92.6 | Very high | 105 Ų | 105 | 72 Ų | 72 | 64% | 0.644 | 40% | 0.4 | S | S | * | . | trans | -94.2 | -3.4 | -175.4 | 54.8 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 269 | L | 90 | Very high | 92.7 | Very high | 105 Ų | 105 | 76.5 Ų | 76.5 | 55% | 0.55 | 42% | 0.424 | S | S | . | . | trans | -138.8 | 134.1 | -168.9 | -173 | 149.4 | 0 | 0 | 0 | 110.3 | F257 L271 | F257-L269 WeakPolarHBondContact CD1-O 3.29Å; L269-L271 HydrophobicContact CD2-CB 4.47Å; L269-L271 HydrophobicContact CD2-CD1 4.14Å; L269-L271 HydrophobicContact CD2-CD2 3.49Å; L269-L271 VanDerWaalsContact CD2-CD2 3.49Å; L269-L271 HydrophobicContact CD2-CG 3.36Å | ||
| 270 | D | 92.1 | Very high | 92.7 | Very high | 56 Ų | 56 | 77.1 Ų | 77.1 | 30% | 0.299 | 43% | 0.425 | S | S | . | . | trans | -114.8 | 109.1 | 176.5 | -174 | -1.4 | 0 | 0 | 0 | 110 | R51 F257 P260 C272 | R51-D270 IonicContact CZ-OD2 3.03Å; R51-D270 IonicContact NE-OD2 2.56Å; R51-D270 VanDerWaalsContact NH2-CG 3.32Å; R51-D270 IonicContact NH2-OD1 2.78Å; R51-D270 PolarHBondContact NH2-OD1 3.04Å; R51-D270 VanDerWaalsContact NH2-OD1 3.1Å; R51-D270 IonicContact NH2-OD2 3.21Å; R51-D270 PolarHBondContact NH2-OD2 2.85Å; F257-D270 HydrophobicContact CB-CB 4.13Å; F257-D270 VanDerWaalsContact CB-OD1 3.25Å; F257-D270 WeakPolarHBondContact CB-OD1 3.38Å; F257-D270 WeakPolarHBondContact CD2-OD1 3.47Å; F257-D270 HydrophobicContact CG-CB 4.49Å; F257-D270 WeakPolarHBondContact CG-OD1 3.49Å; P260-D270 HydrophobicContact CG-CB 4.5Å; D270-C272 WeakPolarHBondContact OD1-CA 3.48Å; D270-C272 PolarHBondContact OD1-N 2.97Å | ||
| 271 | L | 92.1 | Very high | 92.9 | Very high | 92 Ų | 92 | 74.9 Ų | 74.9 | 48% | 0.482 | 41% | 0.409 | S | S | . | . | trans | -89 | -3.3 | 175.6 | -67.2 | 175 | 0 | 0 | 0 | 113.1 | F257 L269 V273 | F257-L271 HydrophobicContact CE1-CB 4.4Å; F257-L271 HydrophobicContact CE2-CB 4.01Å; F257-L271 HydrophobicContact CZ-CB 3.73Å; F257-L271 HydrophobicContact CZ-CD1 4.33Å; F257-L271 HydrophobicContact CZ-CG 4.22Å; L269-L271 HydrophobicContact CD2-CB 4.47Å; L269-L271 HydrophobicContact CD2-CD1 4.14Å; L269-L271 HydrophobicContact CD2-CD2 3.49Å; L269-L271 VanDerWaalsContact CD2-CD2 3.49Å; L269-L271 HydrophobicContact CD2-CG 3.36Å; L271-V273 PolarHBondContact O-N 2.98Å | ||
| 272 | C | 90.6 | Very high | 93.1 | Very high | 67 Ų | 67 | 73.4 Ų | 73.4 | 45% | 0.453 | 39% | 0.387 | S | S | . | . | S | Bend | trans | 61.7 | -37.8 | -166.9 | -59.1 | 0 | 0 | 0 | 0 | 114.8 | D270 | D270-C272 WeakPolarHBondContact OD1-CA 3.48Å; D270-C272 PolarHBondContact OD1-N 2.97Å |
| 273 | V | 93.3 | Very high | 93.3 | Very high | 61 Ų | 61 | 75.2 Ų | 75.2 | 37% | 0.37 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -117.2 | 126.1 | -179.6 | -178.3 | 0 | 0 | 0 | 0 | 110.1 | L271 I275 L278 | L271-V273 PolarHBondContact O-N 2.98Å; V273-I275 PolarHBondContact O-N 3.42Å; V273-L278 HydrophobicContact CG1-CD1 3.92Å |
| 274 | P | 95.1 | Very high | 93.5 | Very high | 4 Ų | 4 | 74.3 Ų | 74.3 | 3% | 0.026 | 37% | 0.373 | C | S | . | . | trans | -86 | 72.1 | -173.4 | 37.4 | -39.7 | 0 | 0 | 0 | 111.5 | Y43 F257 F276 T277 L278 | Y43-P274 HydrophobicContact CD1-CG 3.92Å; Y43-P274 HydrophobicContact CD2-CG 4.12Å; Y43-P274 HydrophobicContact CE1-CB 4.29Å; Y43-P274 VanDerWaalsContact CE1-CD 3.46Å; Y43-P274 HydrophobicContact CE1-CG 3.58Å; Y43-P274 HydrophobicContact CE2-CB 4.17Å; Y43-P274 HydrophobicContact CE2-CG 3.77Å; Y43-P274 HydrophobicContact CG-CG 4.19Å; Y43-P274 VanDerWaalsContact CZ-CG 3.48Å; F257-P274 HydrophobicContact CE2-CB 4.15Å; F257-P274 HydrophobicContact CZ-CB 4.48Å; P274-F276 PolarHBondContact O-N 3.48Å; P274-T277 WeakPolarHBondContact O-CB 3.32Å; P274-T277 PolarHBondContact O-N 2.64Å; P274-L278 HydrophobicContact CG-CG 4.5Å; P274-L278 WeakPolarHBondContact O-CG 3.2Å; P274-L278 PolarHBondContact O-N 3.24Å | ||
| 275 | I | 96.3 | Very high | 93.8 | Very high | 96 Ų | 96 | 72.4 Ų | 72.4 | 49% | 0.492 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -50.4 | -49.1 | -171.8 | -61.2 | 172.9 | 0 | 0 | 0 | 112.8 | V273 T277 L278 L279 | V273-I275 PolarHBondContact O-N 3.42Å; I275-T277 VanDerWaalsContact C-N 3.35Å; I275-T277 PolarHBondContact O-N 3.34Å; I275-L278 WeakPolarHBondContact O-CB 3.44Å; I275-L278 PolarHBondContact O-N 2.75Å; I275-L279 PolarHBondContact O-N 2.67Å |
| 276 | F | 95.2 | Very high | 94.2 | Very high | 154 Ų | 154 | 64.4 Ų | 64.4 | 68% | 0.675 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -70.7 | -29.5 | -178.6 | -68.5 | -69.4 | 0 | 0 | 0 | 113.3 | P274 L278 L279 Q280 | P274-F276 PolarHBondContact O-N 3.48Å; F276-L278 VanDerWaalsContact C-N 3.35Å; F276-L279 HydrophobicContact CD1-CD1 4.02Å; F276-L279 HydrophobicContact CE1-CD1 4.39Å; F276-L279 PolarHBondContact O-N 2.78Å; F276-Q280 WeakPolarHBondContact O-CG 3.37Å; F276-Q280 PolarHBondContact O-N 2.7Å |
| 277 | T | 95.8 | Very high | 94.6 | Very high | 12 Ų | 12 | 61.3 Ų | 61.3 | 7% | 0.074 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -68.4 | -37.2 | 171.8 | -51.4 | 0 | 0 | 0 | 0 | 110.7 | F39 C251 R255 P274 I275 Q280 F281 | F39-T277 HydrophobicContact CE1-CG2 4.24Å; F39-T277 HydrophobicContact CZ-CG2 4.06Å; C251-T277 HydrophobicContact CB-CG2 4.28Å; R255-T277 HydrophobicContact CB-CG2 4.26Å; R255-T277 HydrophobicContact CG-CG2 4.2Å; P274-T277 WeakPolarHBondContact O-CB 3.32Å; P274-T277 PolarHBondContact O-N 2.64Å; I275-T277 VanDerWaalsContact C-N 3.35Å; I275-T277 PolarHBondContact O-N 3.34Å; T277-Q280 PolarHBondContact O-N 3.08Å; T277-F281 WeakPolarHBondContact O-CB 3.49Å; T277-F281 PolarHBondContact O-N 3.04Å |
| 278 | L | 96.9 | Very high | 95 | Very high | 29 Ų | 29 | 60.1 Ų | 60.1 | 15% | 0.152 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66.3 | -37.8 | 173.1 | -61 | 176.2 | 0 | 0 | 0 | 111.6 | L36 F39 L40 V273 P274 I275 F276 F281 F282 | L36-L278 HydrophobicContact CD1-CD2 3.98Å; F39-L278 HydrophobicContact CD1-CD2 4.05Å; F39-L278 HydrophobicContact CE1-CD2 4.17Å; L40-L278 HydrophobicContact CD1-CD1 4.43Å; L40-L278 HydrophobicContact CD1-CD2 4.36Å; V273-L278 HydrophobicContact CG1-CD1 3.92Å; P274-L278 HydrophobicContact CG-CG 4.5Å; P274-L278 WeakPolarHBondContact O-CG 3.2Å; P274-L278 PolarHBondContact O-N 3.24Å; I275-L278 WeakPolarHBondContact O-CB 3.44Å; I275-L278 PolarHBondContact O-N 2.75Å; F276-L278 VanDerWaalsContact C-N 3.35Å; L278-F281 VanDerWaalsContact O-CB 3.29Å; L278-F281 WeakPolarHBondContact O-CB 3.41Å; L278-F281 PolarHBondContact O-N 3.08Å; L278-F282 VanDerWaalsContact O-CD2 3.23Å; L278-F282 WeakPolarHBondContact O-CD2 3.31Å; L278-F282 PolarHBondContact O-N 2.96Å |
| 279 | L | 96.7 | Very high | 95.4 | Very high | 99 Ų | 99 | 56.4 Ų | 56.4 | 52% | 0.518 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -64.9 | -41.3 | 172.5 | -70.1 | 174.7 | 0 | 0 | 0 | 112.2 | I275 F276 F281 F282 F283 | I275-L279 PolarHBondContact O-N 2.67Å; F276-L279 HydrophobicContact CD1-CD1 4.02Å; F276-L279 HydrophobicContact CE1-CD1 4.39Å; F276-L279 PolarHBondContact O-N 2.78Å; L279-F281 VanDerWaalsContact C-N 3.25Å; L279-F281 PolarHBondContact O-N 3.07Å; L279-F282 PolarHBondContact O-N 3.33Å; L279-F283 PolarHBondContact O-N 3.34Å |
| 280 | Q | 95.6 | Very high | 95.7 | Very high | 68 Ų | 68 | 54.2 Ų | 54.2 | 32% | 0.318 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.8 | -35.8 | 171.5 | -74.2 | 177.1 | -1.9 | 0 | 0 | 111.7 | Y247 F276 T277 F283 Y284 | Y247-Q280 PolarHBondContact OH-OE1 3.1Å; Y247-Q280 VanDerWaalsContact OH-OE1 3.13Å; F276-Q280 WeakPolarHBondContact O-CG 3.37Å; F276-Q280 PolarHBondContact O-N 2.7Å; T277-Q280 PolarHBondContact O-N 3.08Å; Q280-F283 PolarHBondContact O-N 3.18Å; Q280-Y284 WeakPolarHBondContact O-CD2 3.33Å; Q280-Y284 PolarHBondContact O-N 3.31Å |
| 281 | F | 96.6 | Very high | 96 | Very high | 13 Ų | 13 | 51.6 Ų | 51.6 | 6% | 0.057 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.3 | -52.2 | 173.1 | -170.7 | -88.6 | 0 | 0 | 0 | 111.7 | L32 E35 L36 F39 F248 T277 L278 L279 F283 A285 | L32-F281 HydrophobicContact CD2-CE1 4.44Å; E35-F281 HydrophobicContact CB-CE1 4.37Å; E35-F281 HydrophobicContact CB-CZ 3.94Å; L36-F281 HydrophobicContact CB-CE1 4.12Å; L36-F281 HydrophobicContact CD1-CD1 3.78Å; L36-F281 HydrophobicContact CD1-CE1 4.2Å; L36-F281 HydrophobicContact CD1-CG 4.48Å; F39-F281 HydrophobicContact CB-CD2 4.31Å; F39-F281 HydrophobicContact CB-CE2 3.89Å; F39-F281 HydrophobicContact CB-CZ 4.19Å; F39-F281 HydrophobicContact CD1-CD2 4.15Å; F39-F281 HydrophobicContact CD2-CD2 4.09Å; F39-F281 HydrophobicContact CD2-CE2 4.05Å; F39-F281 HydrophobicContact CE2-CD2 4.49Å; F39-F281 AromaticContact CG-CD2 3.91Å; F39-F281 HydrophobicContact CG-CD2 3.91Å; F39-F281 AromaticContact CG-CE2 3.9Å; F39-F281 HydrophobicContact CG-CE2 3.9Å; F248-F281 AromaticContact CD1-CD2 3.75Å; F248-F281 HydrophobicContact CD1-CD2 3.75Å; F248-F281 HydrophobicContact CD1-CE2 4.44Å; F248-F281 HydrophobicContact CD2-CD2 4.26Å; F248-F281 HydrophobicContact CD2-CE2 4.32Å; F248-F281 HydrophobicContact CE1-CB 3.95Å; F248-F281 AromaticContact CE1-CD2 3.59Å; F248-F281 HydrophobicContact CE1-CD2 3.59Å; F248-F281 HydrophobicContact CE1-CG 4.17Å; F248-F281 HydrophobicContact CE2-CD2 4.1Å; F248-F281 HydrophobicContact CE2-CE2 4.38Å; F248-F281 HydrophobicContact CG-CD2 4.1Å; F248-F281 HydrophobicContact CG-CE2 4.35Å; F248-F281 HydrophobicContact CZ-CB 4.23Å; F248-F281 AromaticContact CZ-CD2 3.77Å; F248-F281 HydrophobicContact CZ-CD2 3.77Å; F248-F281 HydrophobicContact CZ-CE2 4.49Å; F248-F281 HydrophobicContact CZ-CG 4.24Å; T277-F281 WeakPolarHBondContact O-CB 3.49Å; T277-F281 PolarHBondContact O-N 3.04Å; L278-F281 VanDerWaalsContact O-CB 3.29Å; L278-F281 WeakPolarHBondContact O-CB 3.41Å; L278-F281 PolarHBondContact O-N 3.08Å; L279-F281 VanDerWaalsContact C-N 3.25Å; L279-F281 PolarHBondContact O-N 3.07Å; F281-F283 PolarHBondContact O-N 2.85Å; F281-A285 HydrophobicContact CD1-CB 4.18Å; F281-A285 HydrophobicContact CD2-CB 4.44Å; F281-A285 HydrophobicContact CE1-CB 3.94Å; F281-A285 HydrophobicContact CE2-CB 4.21Å; F281-A285 HydrophobicContact CG-CB 4.43Å; F281-A285 HydrophobicContact CZ-CB 3.96Å; F281-A285 WeakPolarHBondContact O-CB 3.41Å; F281-A285 PolarHBondContact O-N 3.48Å |
| 282 | F | 96.6 | Very high | 96.3 | Very high | 54 Ų | 54 | 50.9 Ų | 50.9 | 24% | 0.237 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -54.5 | -42.1 | 173.5 | -82.6 | -71.7 | 0 | 0 | 0 | 112.1 | I28 Y29 L32 L36 L278 L279 G286 | I28-F282 HydrophobicContact CD1-CD1 4.4Å; I28-F282 WeakPolarHBondContact CD1-O 3.22Å; I28-F282 HydrophobicContact CG1-CD1 4.44Å; Y29-F282 AromaticContact CD1-CE1 3.96Å; Y29-F282 HydrophobicContact CD1-CE1 3.96Å; Y29-F282 HydrophobicContact CD1-CZ 4.45Å; Y29-F282 HydrophobicContact CE1-CE1 4.34Å; L32-F282 HydrophobicContact CD1-CD1 3.81Å; L32-F282 HydrophobicContact CD1-CE1 4.37Å; L36-F282 HydrophobicContact CD1-CE2 4.35Å; L36-F282 HydrophobicContact CD2-CE1 4.33Å; L36-F282 HydrophobicContact CD2-CE2 3.91Å; L36-F282 HydrophobicContact CD2-CZ 3.5Å; L36-F282 VanDerWaalsContact CD2-CZ 3.5Å; L278-F282 VanDerWaalsContact O-CD2 3.23Å; L278-F282 WeakPolarHBondContact O-CD2 3.31Å; L278-F282 PolarHBondContact O-N 2.96Å; L279-F282 PolarHBondContact O-N 3.33Å; F282-G286 WeakPolarHBondContact O-CA 3.4Å; F282-G286 PolarHBondContact O-N 3.3Å |
| 283 | F | 95.8 | Very high | 96.6 | Very high | 113 Ų | 113 | 48.6 Ų | 48.6 | 50% | 0.496 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -65.8 | -60 | -179.5 | -176.4 | -110 | 0 | 0 | 0 | 112.8 | L279 Q280 F281 W287 | L279-F283 PolarHBondContact O-N 3.34Å; Q280-F283 PolarHBondContact O-N 3.18Å; F281-F283 PolarHBondContact O-N 2.85Å; F283-W287 HydrophobicContact CE1-CE3 4.04Å; F283-W287 HydrophobicContact CE1-CZ3 4.21Å; F283-W287 AromaticContact CZ-CE3 3.85Å; F283-W287 HydrophobicContact CZ-CE3 3.85Å; F283-W287 AromaticContact CZ-CZ3 3.99Å; F283-W287 HydrophobicContact CZ-CZ3 3.99Å; F283-W287 WeakPolarHBondContact O-CB 3.46Å; F283-W287 PolarHBondContact O-N 3.42Å |
| 284 | Y | 96.2 | Very high | 96.8 | Very high | 39 Ų | 39 | 46.6 Ų | 46.6 | 15% | 0.153 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -77.5 | -43.1 | -173.5 | -66.1 | -69.8 | 0 | 0 | 0 | 113.4 | V78 S79 Y247 F248 Q280 G286 W287 L288 | V78-Y284 HydrophobicContact CB-CD1 4.21Å; V78-Y284 HydrophobicContact CB-CE1 4.13Å; V78-Y284 HydrophobicContact CG1-CD1 3.82Å; V78-Y284 HydrophobicContact CG1-CE1 4.23Å; V78-Y284 HydrophobicContact CG1-CG 4.42Å; S79-Y284 WeakPolarHBondContact OG-CE1 3.37Å; S79-Y284 PolarHBondContact OG-OH 2.95Å; Y247-Y284 HydrophobicContact CD1-CD2 4.43Å; Y247-Y284 AromaticContact CE1-CD2 3.71Å; Y247-Y284 HydrophobicContact CE1-CD2 3.71Å; Y247-Y284 AromaticContact CE1-CE2 3.97Å; Y247-Y284 HydrophobicContact CE1-CE2 3.97Å; Y247-Y284 AromaticContact CZ-CE2 3.93Å; F248-Y284 HydrophobicContact CZ-CD2 4.5Å; Q280-Y284 WeakPolarHBondContact O-CD2 3.33Å; Q280-Y284 PolarHBondContact O-N 3.31Å; Y284-G286 VanDerWaalsContact C-N 3.33Å; Y284-W287 PolarHBondContact O-N 2.98Å; Y284-L288 PolarHBondContact O-N 3.48Å |
| 285 | A | 97.3 | Very high | 96.9 | Very high | 12 Ų | 12 | 49.4 Ų | 49.4 | 10% | 0.099 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -68.6 | -37.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | L32 F248 F281 L288 K289 | L32-A285 HydrophobicContact CD2-CB 3.78Å; F248-A285 HydrophobicContact CE2-CB 3.98Å; F248-A285 HydrophobicContact CZ-CB 4.37Å; F281-A285 HydrophobicContact CD1-CB 4.18Å; F281-A285 HydrophobicContact CD2-CB 4.44Å; F281-A285 HydrophobicContact CE1-CB 3.94Å; F281-A285 HydrophobicContact CE2-CB 4.21Å; F281-A285 HydrophobicContact CG-CB 4.43Å; F281-A285 HydrophobicContact CZ-CB 3.96Å; F281-A285 WeakPolarHBondContact O-CB 3.41Å; F281-A285 PolarHBondContact O-N 3.48Å; A285-L288 WeakPolarHBondContact O-CB 3.49Å; A285-L288 PolarHBondContact O-N 3.46Å; A285-K289 WeakPolarHBondContact O-CG 3.3Å; A285-K289 PolarHBondContact O-N 3.33Å |
| 286 | G | 97.3 | Very high | 97 | Very high | 4 Ų | 4 | 48.2 Ų | 48.2 | 4% | 0.041 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.4 | -41 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113 | F282 Y284 L288 K289 V290 | F282-G286 WeakPolarHBondContact O-CA 3.4Å; F282-G286 PolarHBondContact O-N 3.3Å; Y284-G286 VanDerWaalsContact C-N 3.33Å; G286-L288 VanDerWaalsContact C-N 3.32Å; G286-L288 PolarHBondContact O-N 2.99Å; G286-K289 WeakPolarHBondContact O-CB 3.23Å; G286-K289 PolarHBondContact O-N 3.5Å; G286-K289 VanDerWaalsContact O-N 3.12Å; G286-V290 PolarHBondContact O-N 2.93Å |
| 287 | W | 97.4 | Very high | 97.1 | Very high | 73 Ų | 73 | 40.9 Ų | 40.9 | 28% | 0.277 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -67 | -34.6 | 176.3 | -162.7 | 6 | 0 | 0 | 0 | 111.8 | L82 V86 F283 Y284 V290 | L82-W287 HydrophobicContact CD2-CB 3.5Å; L82-W287 HydrophobicContact CD2-CD2 3.12Å; L82-W287 HydrophobicContact CD2-CE3 3.57Å; L82-W287 HydrophobicContact CD2-CG 3.08Å; L82-W287 HydrophobicContact CD2-CZ2 4.34Å; L82-W287 HydrophobicContact CD2-CZ3 4.31Å; L82-W287 HydrophobicContact CG-CD2 4.48Å; V86-W287 WeakPolarHBondContact CG2-O 3.27Å; F283-W287 HydrophobicContact CE1-CE3 4.04Å; F283-W287 HydrophobicContact CE1-CZ3 4.21Å; F283-W287 AromaticContact CZ-CE3 3.85Å; F283-W287 HydrophobicContact CZ-CE3 3.85Å; F283-W287 AromaticContact CZ-CZ3 3.99Å; F283-W287 HydrophobicContact CZ-CZ3 3.99Å; F283-W287 WeakPolarHBondContact O-CB 3.46Å; F283-W287 PolarHBondContact O-N 3.42Å; Y284-W287 PolarHBondContact O-N 2.98Å; W287-V290 WeakPolarHBondContact O-CB 3.48Å; W287-V290 PolarHBondContact O-N 3.22Å |
| 288 | L | 97.8 | Very high | 97.3 | Very high | 6 Ų | 6 | 40.5 Ų | 40.5 | 3% | 0.031 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.4 | -42.6 | 167.9 | -178.6 | 62.8 | 0 | 0 | 0 | 111.6 | L82 V240 V244 Y245 Y284 A285 G286 V290 A291 E292 | L82-L288 HydrophobicContact CD1-CB 4.27Å; V240-L288 HydrophobicContact CG1-CD1 4.04Å; V244-L288 HydrophobicContact CB-CD2 4.2Å; V244-L288 HydrophobicContact CG1-CD2 4.06Å; V244-L288 HydrophobicContact CG2-CD2 4.3Å; Y245-L288 HydrophobicContact CE1-CD2 4.24Å; Y284-L288 PolarHBondContact O-N 3.48Å; A285-L288 WeakPolarHBondContact O-CB 3.49Å; A285-L288 PolarHBondContact O-N 3.46Å; G286-L288 VanDerWaalsContact C-N 3.32Å; G286-L288 PolarHBondContact O-N 2.99Å; L288-V290 VanDerWaalsContact C-N 3.26Å; L288-V290 PolarHBondContact O-N 3.11Å; L288-A291 WeakPolarHBondContact O-CA 3.39Å; L288-A291 WeakPolarHBondContact O-CB 3.48Å; L288-A291 PolarHBondContact O-N 2.95Å; L288-E292 HydrophobicContact CG-CG 4.47Å; L288-E292 PolarHBondContact O-N 3.46Å |
| 289 | K | 97.9 | Very high | 97.2 | Very high | 28 Ų | 28 | 39.8 Ų | 39.8 | 12% | 0.122 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60.5 | -31.7 | 176.7 | -74.1 | -60.9 | -177.7 | -173.7 | 0 | 113.6 | L31 L32 E35 A285 G286 A291 E292 Q293 | L31-K289 HydrophobicContact CB-CB 4.34Å; L31-K289 HydrophobicContact CB-CD 4.43Å; L31-K289 HydrophobicContact CB-CG 4.23Å; L31-K289 HydrophobicContact CD1-CB 4.25Å; L31-K289 WeakPolarHBondContact O-CE 3.45Å; L32-K289 HydrophobicContact CD2-CD 4.37Å; L32-K289 HydrophobicContact CD2-CG 3.45Å; L32-K289 VanDerWaalsContact CD2-CG 3.45Å; L32-K289 HydrophobicContact CG-CG 4.11Å; E35-K289 WeakPolarHBondContact OE1-CE 3.23Å; E35-K289 IonicContact OE1-NZ 3.8Å; E35-K289 PolarHBondContact OE1-NZ 2.93Å; A285-K289 WeakPolarHBondContact O-CG 3.3Å; A285-K289 PolarHBondContact O-N 3.33Å; G286-K289 WeakPolarHBondContact O-CB 3.23Å; G286-K289 PolarHBondContact O-N 3.5Å; G286-K289 VanDerWaalsContact O-N 3.12Å; K289-A291 VanDerWaalsContact C-N 3.29Å; K289-A291 PolarHBondContact O-N 3.16Å; K289-E292 HydrophobicContact CD-CB 4.48Å; K289-E292 VanDerWaalsContact CD-OE2 3.26Å; K289-E292 WeakPolarHBondContact CD-OE2 3.49Å; K289-E292 WeakPolarHBondContact CE-OE2 3.29Å; K289-E292 IonicContact NZ-OE1 3.1Å; K289-E292 IonicContact NZ-OE2 3.66Å; K289-E292 PolarHBondContact NZ-OE2 2.85Å; K289-E292 PolarHBondContact O-N 3.22Å; K289-Q293 WeakPolarHBondContact O-CB 3.23Å; K289-Q293 PolarHBondContact O-N 3.18Å |
| 290 | V | 97.9 | Very high | 97.2 | Very high | 59 Ų | 59 | 40.6 Ų | 40.6 | 36% | 0.358 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -57.8 | -45.2 | 171 | 174.2 | 0 | 0 | 0 | 0 | 110.3 | V86 G286 W287 L288 L294 | V86-V290 HydrophobicContact CG1-CG1 4.08Å; G286-V290 PolarHBondContact O-N 2.93Å; W287-V290 WeakPolarHBondContact O-CB 3.48Å; W287-V290 PolarHBondContact O-N 3.22Å; L288-V290 VanDerWaalsContact C-N 3.26Å; L288-V290 PolarHBondContact O-N 3.11Å; V290-L294 HydrophobicContact CG1-CD1 3.86Å; V290-L294 WeakPolarHBondContact O-CB 3.41Å; V290-L294 WeakPolarHBondContact O-CG 3.45Å; V290-L294 PolarHBondContact O-N 3.25Å; V290-L294 VanDerWaalsContact O-N 3.17Å |
| 291 | A | 97.9 | Very high | 97.2 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.008 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -68.4 | -43 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y85 V86 V89 L288 K289 Q293 L294 I295 | Y85-A291 HydrophobicContact CD1-CB 3.86Å; Y85-A291 HydrophobicContact CE1-CB 3.5Å; Y85-A291 VanDerWaalsContact CE1-CB 3.5Å; V86-A291 HydrophobicContact CG2-CB 3.95Å; V89-A291 HydrophobicContact CB-CB 4.37Å; V89-A291 HydrophobicContact CG1-CB 4.42Å; V89-A291 HydrophobicContact CG2-CB 3.97Å; L288-A291 WeakPolarHBondContact O-CA 3.39Å; L288-A291 WeakPolarHBondContact O-CB 3.48Å; L288-A291 PolarHBondContact O-N 2.95Å; K289-A291 VanDerWaalsContact C-N 3.29Å; K289-A291 PolarHBondContact O-N 3.16Å; A291-Q293 VanDerWaalsContact C-N 3.28Å; A291-Q293 PolarHBondContact O-N 3.04Å; A291-L294 PolarHBondContact O-N 2.8Å; A291-I295 WeakPolarHBondContact O-CB 3.25Å; A291-I295 PolarHBondContact O-N 3.24Å |
| 292 | E | 97.3 | Very high | 97.1 | Very high | 77 Ų | 77 | 42.1 Ų | 42.1 | 36% | 0.36 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -58.4 | -39.7 | 179 | -70.5 | -179.1 | -156 | 0 | 0 | 112.6 | L288 K289 I295 | L288-E292 HydrophobicContact CG-CG 4.47Å; L288-E292 PolarHBondContact O-N 3.46Å; K289-E292 HydrophobicContact CD-CB 4.48Å; K289-E292 VanDerWaalsContact CD-OE2 3.26Å; K289-E292 WeakPolarHBondContact CD-OE2 3.49Å; K289-E292 WeakPolarHBondContact CE-OE2 3.29Å; K289-E292 IonicContact NZ-OE1 3.1Å; K289-E292 IonicContact NZ-OE2 3.66Å; K289-E292 PolarHBondContact NZ-OE2 2.85Å; K289-E292 PolarHBondContact O-N 3.22Å; E292-I295 VanDerWaalsContact O-CG2 3.29Å; E292-I295 WeakPolarHBondContact O-CG2 3.35Å |
| 293 | Q | 97.5 | Very high | 97.1 | Very high | 18 Ų | 18 | 41.4 Ų | 41.4 | 8% | 0.084 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -70.9 | -44.7 | 177.7 | -171.9 | 177 | 20 | 0 | 0 | 111.7 | K289 A291 D301 | K289-Q293 WeakPolarHBondContact O-CB 3.23Å; K289-Q293 PolarHBondContact O-N 3.18Å; A291-Q293 VanDerWaalsContact C-N 3.28Å; A291-Q293 PolarHBondContact O-N 3.04Å; Q293-D301 HydrophobicContact CG-CB 4.37Å |
| 294 | L | 97.8 | Very high | 97.2 | Very high | 19 Ų | 19 | 36.1 Ų | 36.1 | 10% | 0.099 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -85.8 | -8.6 | -172.1 | -58.8 | 179.9 | 0 | 0 | 0 | 114.1 | V89 V90 W93 V290 A291 N296 | V89-L294 HydrophobicContact CG1-CB 3.72Å; V90-L294 HydrophobicContact CG2-CD1 3.91Å; W93-L294 HydrophobicContact CB-CB 4.24Å; W93-L294 HydrophobicContact CD2-CD2 4.42Å; W93-L294 HydrophobicContact CG-CB 4.24Å; W93-L294 HydrophobicContact CG-CD2 4.15Å; V290-L294 HydrophobicContact CG1-CD1 3.86Å; V290-L294 WeakPolarHBondContact O-CB 3.41Å; V290-L294 WeakPolarHBondContact O-CG 3.45Å; V290-L294 PolarHBondContact O-N 3.25Å; V290-L294 VanDerWaalsContact O-N 3.17Å; A291-L294 PolarHBondContact O-N 2.8Å; L294-N296 VanDerWaalsContact C-N 3.25Å; L294-N296 PolarHBondContact O-N 3.45Å |
| 295 | I | 97.8 | Very high | 97.3 | Very high | 63 Ų | 63 | 34.9 Ų | 34.9 | 32% | 0.323 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -33.2 | -178.8 | -160.4 | 170.5 | 0 | 0 | 0 | 112.1 | A291 E292 | A291-I295 WeakPolarHBondContact O-CB 3.25Å; A291-I295 PolarHBondContact O-N 3.24Å; E292-I295 VanDerWaalsContact O-CG2 3.29Å; E292-I295 WeakPolarHBondContact O-CG2 3.35Å |
| 296 | N | 97.8 | Very high | 97.3 | Very high | 72 Ų | 72 | 37.1 Ų | 37.1 | 39% | 0.385 | 19% | 0.188 | S | C | . | . | trans | -134.2 | 88.7 | 173.3 | -177.7 | 1.4 | 0 | 0 | 0 | 110.3 | L294 F298 | L294-N296 VanDerWaalsContact C-N 3.25Å; L294-N296 PolarHBondContact O-N 3.45Å; N296-F298 PolarHBondContact O-N 2.86Å; N296-F298 VanDerWaalsContact O-N 3.12Å; N296-F298 PolarHBondContact OD1-N 3.31Å | ||
| 297 | P | 98.2 | Very high | 97.4 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | 9.2 | -177.5 | 33 | -35.2 | 0 | 0 | 0 | 114.5 | D304 F305 | P297-D304 WeakPolarHBondContact CA-OD1 3.12Å; P297-D304 WeakPolarHBondContact O-CB 3.26Å; P297-F305 HydrophobicContact CB-CD2 3.75Å; P297-F305 HydrophobicContact CB-CE1 4.29Å; P297-F305 HydrophobicContact CB-CE2 3.47Å; P297-F305 VanDerWaalsContact CB-CE2 3.47Å; P297-F305 HydrophobicContact CB-CG 4.27Å; P297-F305 HydrophobicContact CB-CZ 3.73Å; P297-F305 HydrophobicContact CG-CD2 3.96Å; P297-F305 HydrophobicContact CG-CE2 3.4Å; P297-F305 HydrophobicContact CG-CZ 3.94Å; P297-F305 PolarHBondContact O-N 3Å |
| 298 | F | 98.1 | Very high | 97.4 | Very high | 3 Ų | 3 | 35.6 Ų | 35.6 | 1% | 0.013 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.1 | 16.3 | 179.6 | -65.6 | -67.9 | 0 | 0 | 0 | 112.5 | Q96 M100 V143 S144 T145 L224 N296 F305 T307 | Q96-F298 HydrophobicContact CB-CE2 4.12Å; Q96-F298 HydrophobicContact CB-CZ 4.34Å; Q96-F298 HydrophobicContact CG-CE2 4.36Å; M100-F298 HydrophobicContact CE-CE1 4.44Å; M100-F298 HydrophobicContact SD-CE1 3.99Å; V143-F298 HydrophobicContact CG2-CD2 4.4Å; V143-F298 HydrophobicContact CG2-CG 4.36Å; V143-F298 WeakPolarHBondContact O-CB 3.21Å; S144-F298 VanDerWaalsContact CA-O 3.27Å; S144-F298 WeakPolarHBondContact CA-O 3.28Å; S144-F298 PolarHBondContact OG-O 3.4Å; T145-F298 PolarHBondContact N-O 2.87Å; T145-F298 VanDerWaalsContact N-O 3.12Å; L224-F298 HydrophobicContact CD2-CE2 4.04Å; L224-F298 HydrophobicContact CD2-CZ 3.56Å; N296-F298 PolarHBondContact O-N 2.86Å; N296-F298 VanDerWaalsContact O-N 3.12Å; N296-F298 PolarHBondContact OD1-N 3.31Å; F298-F305 HydrophobicContact CD1-CD2 4.17Å; F298-F305 AromaticContact CE1-CD2 3.77Å; F298-F305 HydrophobicContact CE1-CD2 3.77Å; F298-F305 HydrophobicContact CE1-CE2 4.47Å; F298-F305 HydrophobicContact CZ-CD2 4.03Å; F298-F305 HydrophobicContact CZ-CE2 4.29Å; F298-T307 HydrophobicContact CD1-CG2 3.66Å; F298-T307 HydrophobicContact CE1-CG2 4.03Å |
| 299 | G | 95.5 | Very high | 97.4 | Very high | 14 Ų | 14 | 41.5 Ų | 41.5 | 14% | 0.144 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -78.5 | -142.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | T145 D304 | T145-G299 WeakPolarHBondContact OG1-CA 3Å; G299-D304 WeakPolarHBondContact CA-OD2 3.17Å; G299-D304 PolarHBondContact N-OD2 2.79Å |
| 300 | E | 96.1 | Very high | 97.4 | Very high | 116 Ų | 116 | 41.7 Ų | 41.7 | 54% | 0.542 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -134.5 | 16.2 | 179.8 | -66.8 | 170.7 | 121.1 | 0 | 0 | 111.8 | A146 K149 D304 | A146-E300 HydrophobicContact CB-CG 4.06Å; K149-E300 VanDerWaalsContact CD-OE1 3.28Å; K149-E300 WeakPolarHBondContact CD-OE1 3.23Å; K149-E300 IonicContact NZ-OE1 3.42Å; K149-E300 PolarHBondContact NZ-OE1 3.27Å; K149-E300 IonicContact NZ-OE2 3.42Å; K149-E300 PolarHBondContact NZ-OE2 3.3Å; E300-D304 PolarHBondContact N-OD2 3.44Å |
| 301 | D | 96.1 | Very high | 97.5 | Very high | 78 Ų | 78 | 39.2 Ų | 39.2 | 42% | 0.417 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -65.9 | 158.5 | 174 | -75.1 | -34.2 | 0 | 0 | 0 | 110.6 | Q293 D303 D304 | Q293-D301 HydrophobicContact CG-CB 4.37Å; D301-D303 PolarHBondContact O-N 2.91Å; D301-D304 WeakPolarHBondContact CB-OD2 3.4Å; D301-D304 PolarHBondContact N-OD2 2.86Å; D301-D304 PolarHBondContact O-N 3.15Å; D301-D304 VanDerWaalsContact O-N 3.14Å |
| 302 | D | 95.4 | Very high | 97.5 | Very high | 36 Ų | 36 | 42.4 Ų | 42.4 | 19% | 0.193 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -29.6 | -176.2 | -76 | -11 | 0 | 0 | 0 | 113.1 | M1 T2 V3 R25 G26 K30 | M1-D302 CarbonylContact C-O 3.26Å; M1-D302 VanDerWaalsContact C-O 3.26Å; T2-D302 VanDerWaalsContact CA-O 3.28Å; T2-D302 WeakPolarHBondContact CA-O 3.41Å; T2-D302 PolarHBondContact N-O 3.47Å; V3-D302 HydrophobicContact CG2-CB 4.21Å; R25-D302 HydrophobicContact CG-CB 4.21Å; R25-D302 WeakPolarHBondContact CG-OD2 3.45Å; G26-D302 PolarHBondContact N-OD2 2.69Å; K30-D302 WeakPolarHBondContact CD-OD2 3.49Å; K30-D302 WeakPolarHBondContact CE-OD2 3.46Å; K30-D302 IonicContact NZ-OD1 3.22Å; K30-D302 PolarHBondContact NZ-OD1 3.21Å; K30-D302 IonicContact NZ-OD2 2.84Å; K30-D302 PolarHBondContact NZ-OD2 2.94Å |
| 303 | D | 96.2 | Very high | 97.5 | Very high | 39 Ų | 39 | 42.5 Ų | 42.5 | 21% | 0.209 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.6 | 10.6 | -175.4 | -141.4 | 21 | 0 | 0 | 0 | 113.9 | T2 V3 D301 | T2-D303 WeakPolarHBondContact CG2-OD1 3.3Å; V3-D303 WeakPolarHBondContact CB-OD1 3.32Å; V3-D303 PolarHBondContact N-OD1 3.2Å; D301-D303 PolarHBondContact O-N 2.91Å |
| 304 | D | 97.9 | Very high | 97.6 | Very high | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.011 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -69.8 | 164.3 | 170.6 | -76 | -16.3 | 0 | 0 | 0 | 111.3 | T2 P297 G299 E300 D301 | T2-D304 PolarHBondContact OG1-O 3.38Å; P297-D304 WeakPolarHBondContact CA-OD1 3.12Å; P297-D304 WeakPolarHBondContact O-CB 3.26Å; G299-D304 WeakPolarHBondContact CA-OD2 3.17Å; G299-D304 PolarHBondContact N-OD2 2.79Å; E300-D304 PolarHBondContact N-OD2 3.44Å; D301-D304 WeakPolarHBondContact CB-OD2 3.4Å; D301-D304 PolarHBondContact N-OD2 2.86Å; D301-D304 PolarHBondContact O-N 3.15Å; D301-D304 VanDerWaalsContact O-N 3.14Å |
| 305 | F | 98.3 | Very high | 97.6 | Very high | 13 Ų | 13 | 44 Ų | 44 | 6% | 0.057 | 22% | 0.217 | C | C | . | . | trans | -70 | 135.4 | -178.7 | -59.1 | -35.8 | 0 | 0 | 0 | 112.3 | W93 Q96 Y97 P297 F298 T307 | W93-F305 AromaticContact CD1-CZ 3.74Å; W93-F305 HydrophobicContact CD2-CZ 4.42Å; W93-F305 AromaticContact CE2-CE1 3.71Å; W93-F305 AromaticContact CE2-CZ 3.86Å; W93-F305 HydrophobicContact CG-CZ 4.33Å; W93-F305 AromaticContact CZ2-CE1 3.93Å; W93-F305 HydrophobicContact CZ2-CE1 3.93Å; W93-F305 HydrophobicContact CZ2-CZ 4.46Å; W93-F305 AromaticContact NE1-CE1 3.35Å; W93-F305 AromaticContact NE1-CZ 3.39Å; Q96-F305 HydrophobicContact CB-CE2 4.34Å; Y97-F305 AromaticContact CD2-CD1 3.99Å; Y97-F305 HydrophobicContact CD2-CD1 3.99Å; Y97-F305 AromaticContact CD2-CE1 3.83Å; Y97-F305 HydrophobicContact CD2-CE1 3.83Å; Y97-F305 HydrophobicContact CD2-CG 4.47Å; Y97-F305 HydrophobicContact CD2-CZ 4.18Å; Y97-F305 HydrophobicContact CG-CE1 4.26Å; Y97-F305 HydrophobicContact CG-CZ 4.31Å; P297-F305 HydrophobicContact CB-CD2 3.75Å; P297-F305 HydrophobicContact CB-CE1 4.29Å; P297-F305 HydrophobicContact CB-CE2 3.47Å; P297-F305 VanDerWaalsContact CB-CE2 3.47Å; P297-F305 HydrophobicContact CB-CG 4.27Å; P297-F305 HydrophobicContact CB-CZ 3.73Å; P297-F305 HydrophobicContact CG-CD2 3.96Å; P297-F305 HydrophobicContact CG-CE2 3.4Å; P297-F305 HydrophobicContact CG-CZ 3.94Å; P297-F305 PolarHBondContact O-N 3Å; F298-F305 HydrophobicContact CD1-CD2 4.17Å; F298-F305 AromaticContact CE1-CD2 3.77Å; F298-F305 HydrophobicContact CE1-CD2 3.77Å; F298-F305 HydrophobicContact CE1-CE2 4.47Å; F298-F305 HydrophobicContact CZ-CD2 4.03Å; F298-F305 HydrophobicContact CZ-CE2 4.29Å; F305-T307 HydrophobicContact CB-CG2 4.18Å; F305-T307 PolarHBondContact O-N 3.36Å | ||
| 306 | E | 97.6 | Very high | 97.6 | Very high | 59 Ų | 59 | 47.8 Ų | 47.8 | 28% | 0.276 | 23% | 0.234 | S | C | . | . | trans | -75.8 | 66.8 | 173.7 | -61.7 | -52.1 | 123 | 0 | 0 | 113.2 | M1 T2 N308 F309 L310 | M1-E306 WeakPolarHBondContact CA-OE1 3.47Å; M1-E306 WeakPolarHBondContact CA-OE2 3.37Å; M1-E306 HydrophobicContact CB-CG 4.36Å; M1-E306 HydrophobicContact CG-CG 4.36Å; M1-E306 WeakPolarHBondContact CG-OE2 3.31Å; M1-E306 PolarHBondContact N-OE1 2.61Å; M1-E306 PolarHBondContact N-OE2 3.27Å; M1-E306 VanDerWaalsContact N-OE2 3.07Å; T2-E306 PolarHBondContact N-OE1 3.13Å; E306-N308 PolarHBondContact O-N 3.37Å; E306-F309 HydrophobicContact CB-CB 3.91Å; E306-F309 PolarHBondContact O-N 3.35Å; E306-L310 PolarHBondContact O-N 2.86Å | ||
| 307 | T | 97.9 | Very high | 97.7 | Very high | 2 Ų | 2 | 46.4 Ų | 46.4 | 1% | 0.012 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61 | -41.9 | -177.2 | 54.5 | 0 | 0 | 0 | 0 | 113.2 | M100 L140 S144 V147 F298 F305 L310 I311 | M100-T307 HydrophobicContact CE-CG2 3.46Å; M100-T307 VanDerWaalsContact CE-CG2 3.46Å; L140-T307 HydrophobicContact CD2-CG2 4.5Å; S144-T307 PolarHBondContact OG-OG1 2.96Å; V147-T307 WeakPolarHBondContact CG2-OG1 3.33Å; F298-T307 HydrophobicContact CD1-CG2 3.66Å; F298-T307 HydrophobicContact CE1-CG2 4.03Å; F305-T307 HydrophobicContact CB-CG2 4.18Å; F305-T307 PolarHBondContact O-N 3.36Å; T307-L310 PolarHBondContact O-N 3.15Å; T307-I311 WeakPolarHBondContact O-CG1 3.48Å; T307-I311 PolarHBondContact O-N 3.47Å |
| 308 | N | 98.3 | Very high | 97.7 | Very high | 42 Ų | 42 | 46.5 Ų | 46.5 | 23% | 0.225 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.8 | -43.3 | 177.1 | -81.3 | -50.8 | 0 | 0 | 0 | 112.4 | A146 R150 E306 L310 I311 D312 | A146-N308 PolarHBondContact O-ND2 3.29Å; R150-N308 WeakPolarHBondContact CD-OD1 3.21Å; E306-N308 PolarHBondContact O-N 3.37Å; N308-L310 VanDerWaalsContact C-N 3.33Å; N308-L310 PolarHBondContact O-N 3.18Å; N308-I311 PolarHBondContact O-N 2.96Å; N308-D312 PolarHBondContact O-N 3.24Å; N308-D312 VanDerWaalsContact O-N 3.14Å |
| 309 | F | 98.2 | Very high | 97.7 | Very high | 131 Ų | 131 | 47 Ų | 47 | 58% | 0.575 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -60.4 | -44.2 | 174.8 | 167.7 | -98.6 | 0 | 0 | 0 | 111.3 | E306 I311 D312 R313 | E306-F309 HydrophobicContact CB-CB 3.91Å; E306-F309 PolarHBondContact O-N 3.35Å; F309-I311 VanDerWaalsContact C-N 3.33Å; F309-I311 PolarHBondContact O-N 3.47Å; F309-D312 PolarHBondContact O-N 3.13Å; F309-R313 HydrophobicContact CE1-CB 4.5Å; F309-R313 HydrophobicContact CZ-CB 4.43Å; F309-R313 WeakPolarHBondContact O-CB 3.36Å; F309-R313 PolarHBondContact O-N 3.21Å |
| 310 | L | 98.1 | Very high | 97.9 | Very high | 32 Ų | 32 | 49.8 Ų | 49.8 | 17% | 0.168 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.1 | -37.8 | 178.5 | -71.7 | 177.2 | 0 | 0 | 0 | 112.1 | M100 E306 T307 N308 N314 | M100-L310 HydrophobicContact CE-CB 4.48Å; M100-L310 HydrophobicContact CE-CD1 3.79Å; M100-L310 HydrophobicContact CG-CD1 3.83Å; E306-L310 PolarHBondContact O-N 2.86Å; T307-L310 PolarHBondContact O-N 3.15Å; N308-L310 VanDerWaalsContact C-N 3.33Å; N308-L310 PolarHBondContact O-N 3.18Å; L310-N314 WeakPolarHBondContact O-CB 3.4Å; L310-N314 PolarHBondContact O-N 3.27Å; L310-N314 PolarHBondContact O-ND2 3.42Å; L310-N314 PolarHBondContact O-OD1 3.43Å |
| 311 | I | 98.6 | Very high | 98 | Very high | 7 Ų | 7 | 44.9 Ų | 44.9 | 4% | 0.036 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58 | -50 | 173.4 | -72 | 166.5 | 0 | 0 | 0 | 110.5 | V137 L140 V147 F151 F162 T307 N308 F309 N314 F315 | V137-I311 HydrophobicContact CG2-CD1 4.33Å; V137-I311 HydrophobicContact CG2-CG1 4.35Å; V137-I311 HydrophobicContact CG2-CG2 3.85Å; L140-I311 HydrophobicContact CB-CD1 4.32Å; L140-I311 HydrophobicContact CD1-CD1 3.87Å; L140-I311 HydrophobicContact CD1-CG1 3.68Å; V147-I311 HydrophobicContact CB-CD1 4.46Å; V147-I311 HydrophobicContact CG1-CD1 3.63Å; V147-I311 HydrophobicContact CG2-CD1 3.89Å; F151-I311 HydrophobicContact CE2-CD1 4.37Å; F162-I311 HydrophobicContact CE1-CG2 4.05Å; F162-I311 HydrophobicContact CE2-CG2 4.31Å; F162-I311 HydrophobicContact CZ-CG2 3.5Å; T307-I311 WeakPolarHBondContact O-CG1 3.48Å; T307-I311 PolarHBondContact O-N 3.47Å; N308-I311 PolarHBondContact O-N 2.96Å; F309-I311 VanDerWaalsContact C-N 3.33Å; F309-I311 PolarHBondContact O-N 3.47Å; I311-N314 PolarHBondContact O-N 3.27Å; I311-F315 WeakPolarHBondContact O-CB 3.47Å; I311-F315 PolarHBondContact O-N 3.45Å |
| 312 | D | 98.5 | Very high | 98.1 | Very high | 68 Ų | 68 | 41.1 Ų | 41.1 | 36% | 0.364 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -65.7 | -48 | -177.1 | -64.6 | -32.9 | 0 | 0 | 0 | 111.6 | R150 N308 F309 N314 F315 Q316 | R150-D312 IonicContact CZ-OD1 3.59Å; R150-D312 VanDerWaalsContact CZ-OD1 3.29Å; R150-D312 IonicContact CZ-OD2 3.56Å; R150-D312 VanDerWaalsContact NH1-CG 3.31Å; R150-D312 IonicContact NH1-OD1 2.71Å; R150-D312 PolarHBondContact NH1-OD1 3.47Å; R150-D312 IonicContact NH1-OD2 3.98Å; R150-D312 PolarHBondContact NH1-OD2 2.8Å; R150-D312 IonicContact NH2-OD1 2.79Å; R150-D312 PolarHBondContact NH2-OD1 3.29Å; R150-D312 IonicContact NH2-OD2 3.7Å; R150-D312 PolarHBondContact NH2-OD2 2.87Å; N308-D312 PolarHBondContact O-N 3.24Å; N308-D312 VanDerWaalsContact O-N 3.14Å; F309-D312 PolarHBondContact O-N 3.13Å; D312-N314 VanDerWaalsContact C-N 3.34Å; D312-N314 PolarHBondContact O-N 3.21Å; D312-F315 PolarHBondContact O-N 3.22Å; D312-Q316 WeakPolarHBondContact O-CB 3.31Å; D312-Q316 PolarHBondContact O-N 3.06Å |
| 313 | R | 98.4 | Very high | 98.2 | Very high | 79 Ų | 79 | 40.3 Ų | 40.3 | 30% | 0.298 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -56.8 | -49.4 | 175.6 | 178.7 | -88.2 | -179.6 | -166.5 | -3.1 | 110.9 | D104 F309 F315 Q316 V317 | D104-R313 VanDerWaalsContact CG-NH1 3.3Å; D104-R313 IonicContact OD1-CZ 2.91Å; D104-R313 IonicContact OD1-NH1 3.29Å; D104-R313 PolarHBondContact OD1-NH1 3.06Å; D104-R313 IonicContact OD1-NH2 3.31Å; D104-R313 PolarHBondContact OD1-NH2 3.05Å; D104-R313 IonicContact OD2-CZ 3.87Å; D104-R313 IonicContact OD2-NH1 2.61Å; D104-R313 PolarHBondContact OD2-NH1 3.34Å; D104-R313 IonicContact OD2-NH2 3.48Å; F309-R313 HydrophobicContact CE1-CB 4.5Å; F309-R313 HydrophobicContact CZ-CB 4.43Å; F309-R313 WeakPolarHBondContact O-CB 3.36Å; F309-R313 PolarHBondContact O-N 3.21Å; R313-F315 VanDerWaalsContact C-N 3.35Å; R313-F315 PolarHBondContact O-N 3.47Å; R313-Q316 PolarHBondContact O-N 2.69Å; R313-V317 HydrophobicContact CG-CG2 4.26Å; R313-V317 WeakPolarHBondContact O-CB 3.45Å; R313-V317 VanDerWaalsContact O-CG2 3.25Å; R313-V317 WeakPolarHBondContact O-CG2 3.41Å; R313-V317 PolarHBondContact O-N 2.83Å |
| 314 | N | 98.4 | Very high | 98.3 | Very high | 17 Ų | 17 | 44.9 Ų | 44.9 | 9% | 0.091 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.5 | -41.3 | -175.3 | -74 | -11.5 | 0 | 0 | 0 | 111.3 | L102 P103 L310 I311 D312 S318 | L102-N314 WeakPolarHBondContact CD2-ND2 3.42Å; P103-N314 HydrophobicContact CG-CB 3.74Å; L310-N314 WeakPolarHBondContact O-CB 3.4Å; L310-N314 PolarHBondContact O-N 3.27Å; L310-N314 PolarHBondContact O-ND2 3.42Å; L310-N314 PolarHBondContact O-OD1 3.43Å; I311-N314 PolarHBondContact O-N 3.27Å; D312-N314 VanDerWaalsContact C-N 3.34Å; D312-N314 PolarHBondContact O-N 3.21Å; N314-S318 WeakPolarHBondContact O-CB 3.44Å; N314-S318 PolarHBondContact O-N 3.49Å; N314-S318 PolarHBondContact O-OG 3.36Å |
| 315 | F | 98.4 | Very high | 98.3 | Very high | 51 Ų | 51 | 50.2 Ų | 50.2 | 22% | 0.224 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -67.1 | -45.6 | 178 | -163.4 | -110.8 | 0 | 0 | 0 | 111.8 | R130 F162 I311 D312 R313 S318 M319 | R130-F315 HydrophobicContact CB-CE2 4.5Å; R130-F315 HydrophobicContact CG-CE2 4.08Å; R130-F315 HydrophobicContact CG-CZ 4.45Å; F162-F315 AromaticContact CD1-CD2 3.8Å; F162-F315 HydrophobicContact CD1-CD2 3.8Å; F162-F315 AromaticContact CD1-CE2 3.8Å; F162-F315 HydrophobicContact CD1-CE2 3.8Å; F162-F315 HydrophobicContact CD1-CG 4.35Å; F162-F315 HydrophobicContact CD1-CZ 4.36Å; F162-F315 HydrophobicContact CE1-CB 3.99Å; F162-F315 HydrophobicContact CE1-CD1 4.24Å; F162-F315 AromaticContact CE1-CD2 3.5Å; F162-F315 HydrophobicContact CE1-CD2 3.5Å; F162-F315 VanDerWaalsContact CE1-CD2 3.5Å; F162-F315 AromaticContact CE1-CE2 3.95Å; F162-F315 HydrophobicContact CE1-CE2 3.95Å; F162-F315 AromaticContact CE1-CG 3.65Å; F162-F315 HydrophobicContact CE1-CG 3.65Å; F162-F315 HydrophobicContact CE1-CZ 4.49Å; F162-F315 HydrophobicContact CZ-CG 4.35Å; I311-F315 WeakPolarHBondContact O-CB 3.47Å; I311-F315 PolarHBondContact O-N 3.45Å; D312-F315 PolarHBondContact O-N 3.22Å; R313-F315 VanDerWaalsContact C-N 3.35Å; R313-F315 PolarHBondContact O-N 3.47Å; F315-S318 PolarHBondContact O-OG 2.71Å; F315-M319 HydrophobicContact CD2-CE 4.07Å; F315-M319 HydrophobicContact CE1-CG 4.42Å; F315-M319 HydrophobicContact CE2-CE 3.44Å; F315-M319 VanDerWaalsContact CE2-CE 3.44Å; F315-M319 HydrophobicContact CZ-CE 3.79Å; F315-M319 HydrophobicContact CZ-CG 4.42Å; F315-M319 WeakPolarHBondContact O-CB 3.37Å; F315-M319 WeakPolarHBondContact O-CG 3.49Å; F315-M319 PolarHBondContact O-N 3.4Å; F315-M319 VanDerWaalsContact O-N 3.11Å |
| 316 | Q | 98.4 | Very high | 98.3 | Very high | 143 Ų | 143 | 50.9 Ų | 50.9 | 67% | 0.668 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -62.4 | -53 | 178.3 | -176.2 | -179.3 | 2.4 | 0 | 0 | 112 | D312 R313 S318 M319 L320 | D312-Q316 WeakPolarHBondContact O-CB 3.31Å; D312-Q316 PolarHBondContact O-N 3.06Å; R313-Q316 PolarHBondContact O-N 2.69Å; Q316-S318 PolarHBondContact O-N 3.15Å; Q316-M319 PolarHBondContact O-N 2.89Å; Q316-L320 WeakPolarHBondContact O-CB 3.39Å; Q316-L320 PolarHBondContact O-N 3.13Å |
| 317 | V | 98.6 | Very high | 98.2 | Very high | 43 Ų | 43 | 52.2 Ų | 52.2 | 26% | 0.261 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -64.9 | -42.7 | -176.1 | 173.6 | 0 | 0 | 0 | 0 | 111.1 | M107 R313 M319 L320 A321 | M107-V317 HydrophobicContact CE-CG1 3.96Å; M107-V317 HydrophobicContact SD-CG1 4Å; R313-V317 HydrophobicContact CG-CG2 4.26Å; R313-V317 WeakPolarHBondContact O-CB 3.45Å; R313-V317 VanDerWaalsContact O-CG2 3.25Å; R313-V317 WeakPolarHBondContact O-CG2 3.41Å; R313-V317 PolarHBondContact O-N 2.83Å; V317-M319 PolarHBondContact O-N 3.45Å; V317-L320 PolarHBondContact O-N 3.38Å; V317-A321 VanDerWaalsContact O-CB 3.3Å; V317-A321 WeakPolarHBondContact O-CB 3.32Å; V317-A321 PolarHBondContact O-N 3.26Å |
| 318 | S | 98.4 | Very high | 98.2 | Very high | 2 Ų | 2 | 57.9 Ų | 57.9 | 1% | 0.014 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -65.2 | -40.5 | 178.8 | 59.7 | 0 | 0 | 0 | 0 | 112.6 | N314 F315 Q316 V322 | N314-S318 WeakPolarHBondContact O-CB 3.44Å; N314-S318 PolarHBondContact O-N 3.49Å; N314-S318 PolarHBondContact O-OG 3.36Å; F315-S318 PolarHBondContact O-OG 2.71Å; Q316-S318 PolarHBondContact O-N 3.15Å; S318-V322 WeakPolarHBondContact O-CG2 3.42Å; S318-V322 PolarHBondContact O-N 2.99Å |
| 319 | M | 98.6 | Very high | 98.1 | Very high | 14 Ų | 14 | 62.9 Ų | 62.9 | 7% | 0.069 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -67.2 | -39.1 | 177 | -69.1 | -62.3 | 159.5 | 0 | 0 | 112 | R126 M129 R130 F315 Q316 V317 D323 | R126-M319 HydrophobicContact CB-SD 4.16Å; R126-M319 HydrophobicContact CG-SD 4.31Å; R126-M319 WeakPolarHBondContact O-CE 3.49Å; M129-M319 HydrophobicContact CB-CE 4.19Å; R130-M319 HydrophobicContact CB-CE 3.7Å; R130-M319 HydrophobicContact CG-CE 4.44Å; F315-M319 HydrophobicContact CD2-CE 4.07Å; F315-M319 HydrophobicContact CE1-CG 4.42Å; F315-M319 HydrophobicContact CE2-CE 3.44Å; F315-M319 VanDerWaalsContact CE2-CE 3.44Å; F315-M319 HydrophobicContact CZ-CE 3.79Å; F315-M319 HydrophobicContact CZ-CG 4.42Å; F315-M319 WeakPolarHBondContact O-CB 3.37Å; F315-M319 WeakPolarHBondContact O-CG 3.49Å; F315-M319 PolarHBondContact O-N 3.4Å; F315-M319 VanDerWaalsContact O-N 3.11Å; Q316-M319 PolarHBondContact O-N 2.89Å; V317-M319 PolarHBondContact O-N 3.45Å; M319-D323 WeakPolarHBondContact O-CB 3.45Å; M319-D323 PolarHBondContact O-N 3.21Å |
| 320 | L | 98.6 | Very high | 98.1 | Very high | 72 Ų | 72 | 61 Ų | 61 | 38% | 0.377 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.9 | -49.1 | 175.8 | -174.7 | 70 | 0 | 0 | 0 | 111.3 | Q316 V317 V322 D323 E324 M325 | Q316-L320 WeakPolarHBondContact O-CB 3.39Å; Q316-L320 PolarHBondContact O-N 3.13Å; V317-L320 PolarHBondContact O-N 3.38Å; L320-V322 PolarHBondContact O-N 3.42Å; L320-D323 PolarHBondContact O-N 2.97Å; L320-E324 HydrophobicContact CD1-CB 3.97Å; L320-E324 HydrophobicContact CD1-CG 4.08Å; L320-E324 WeakPolarHBondContact CD1-OE2 3.39Å; L320-E324 PolarHBondContact O-N 3.37Å; L320-M325 PolarHBondContact O-N 3.32Å |
| 321 | A | 98.6 | Very high | 98 | Very high | 12 Ų | 12 | 67.2 Ų | 67.2 | 10% | 0.099 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -63.9 | -40.8 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | M107 V111 V317 M325 | M107-A321 HydrophobicContact CE-CB 4.48Å; M107-A321 HydrophobicContact CG-CB 4.27Å; M107-A321 HydrophobicContact SD-CB 3.9Å; V111-A321 WeakPolarHBondContact CG2-O 3.24Å; V317-A321 VanDerWaalsContact O-CB 3.3Å; V317-A321 WeakPolarHBondContact O-CB 3.32Å; V317-A321 PolarHBondContact O-N 3.26Å; A321-M325 HydrophobicContact CB-SD 4.35Å |
| 322 | V | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 74.9 Ų | 74.9 | 0% | 0 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -90.5 | -3.5 | -177.1 | -51.4 | 0 | 0 | 0 | 0 | 113.5 | M107 V110 V111 R125 M129 S318 L320 | M107-V322 HydrophobicContact CB-CG1 3.95Å; V110-V322 HydrophobicContact CB-CG1 4.2Å; V110-V322 HydrophobicContact CG1-CB 4.28Å; V110-V322 HydrophobicContact CG1-CG1 3.97Å; V111-V322 HydrophobicContact CB-CG1 4.4Å; R125-V322 HydrophobicContact CB-CB 4.01Å; R125-V322 HydrophobicContact CB-CG2 4.01Å; R125-V322 WeakPolarHBondContact CD-O 3.26Å; R125-V322 PolarHBondContact NE-O 2.84Å; M129-V322 HydrophobicContact CB-CG2 4.37Å; M129-V322 HydrophobicContact CG-CB 4.22Å; M129-V322 HydrophobicContact CG-CG1 3.53Å; M129-V322 HydrophobicContact CG-CG2 3.77Å; M129-V322 HydrophobicContact SD-CG1 4.25Å; S318-V322 WeakPolarHBondContact O-CG2 3.42Å; S318-V322 PolarHBondContact O-N 2.99Å; L320-V322 PolarHBondContact O-N 3.42Å |
| 323 | D | 98.3 | Very high | 97.9 | Very high | 19 Ų | 19 | 79.7 Ų | 79.7 | 10% | 0.102 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -116.3 | -75 | -177.4 | -167.8 | 10.8 | 0 | 0 | 0 | 111.4 | R122 R126 M319 L320 Y326 | R122-D323 WeakPolarHBondContact CD-OD1 3.32Å; R122-D323 VanDerWaalsContact CG-OD1 3.24Å; R122-D323 WeakPolarHBondContact CG-OD1 3.36Å; R122-D323 IonicContact CZ-OD1 3.23Å; R122-D323 IonicContact CZ-OD2 3.81Å; R122-D323 VanDerWaalsContact CZ-OD2 3.22Å; R122-D323 IonicContact NE-OD1 2.69Å; R122-D323 PolarHBondContact NE-OD1 3.41Å; R122-D323 IonicContact NE-OD2 3.34Å; R122-D323 PolarHBondContact NE-OD2 2.87Å; R122-D323 IonicContact NH2-OD1 2.72Å; R122-D323 IonicContact NH2-OD2 2.72Å; R122-D323 PolarHBondContact NH2-OD2 2.96Å; R126-D323 WeakPolarHBondContact CD-OD2 3.18Å; R126-D323 HydrophobicContact CG-CB 4.29Å; R126-D323 IonicContact CZ-OD2 3.98Å; R126-D323 IonicContact NE-OD2 2.94Å; R126-D323 IonicContact NH1-OD2 2.85Å; R126-D323 PolarHBondContact NH1-OD2 3.25Å; M319-D323 WeakPolarHBondContact O-CB 3.45Å; M319-D323 PolarHBondContact O-N 3.21Å; L320-D323 PolarHBondContact O-N 2.97Å; D323-Y326 WeakPolarHBondContact O-CB 3.45Å; D323-Y326 PolarHBondContact O-N 3.36Å |
| 324 | E | 97.7 | Very high | 97.9 | Very high | 134 Ų | 134 | 82.6 Ų | 82.6 | 63% | 0.626 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -38.2 | -175.2 | -63.3 | -176.3 | -170.3 | 0 | 0 | 111.6 | L320 Y326 | L320-E324 HydrophobicContact CD1-CB 3.97Å; L320-E324 HydrophobicContact CD1-CG 4.08Å; L320-E324 WeakPolarHBondContact CD1-OE2 3.39Å; L320-E324 PolarHBondContact O-N 3.37Å; E324-Y326 VanDerWaalsContact C-N 3.28Å; E324-Y326 PolarHBondContact O-N 3.44Å |
| 325 | M | 98.1 | Very high | 97.8 | Very high | 114 Ų | 114 | 86.2 Ų | 86.2 | 56% | 0.562 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | 0.5 | 179.5 | -57.4 | 175 | 61 | 0 | 0 | 113.6 | L320 A321 D327 | L320-M325 PolarHBondContact O-N 3.32Å; A321-M325 HydrophobicContact CB-SD 4.35Å; M325-D327 PolarHBondContact O-N 3.45Å; M325-D327 VanDerWaalsContact O-N 3.13Å |
| 326 | Y | 98.1 | Very high | 97.8 | Very high | 28 Ų | 28 | 91 Ų | 91 | 11% | 0.11 | 47% | 0.471 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | 112.9 | -179 | 171.9 | -98.5 | 0 | 0 | 0 | 110.6 | V111 H115 G116 R117 R125 D323 E324 D328 | V111-Y326 HydrophobicContact CG2-CD2 3.88Å; V111-Y326 HydrophobicContact CG2-CG 4.48Å; H115-Y326 WeakPolarHBondContact CA-OH 3.47Å; H115-Y326 WeakPolarHBondContact CB-OH 3.22Å; G116-Y326 PolarHBondContact N-OH 2.83Å; R117-Y326 HydrophobicContact CG-CD1 4.5Å; R117-Y326 HydrophobicContact CG-CE1 3.96Å; R125-Y326 VanDerWaalsContact CZ-CD1 3.41Å; D323-Y326 WeakPolarHBondContact O-CB 3.45Å; D323-Y326 PolarHBondContact O-N 3.36Å; E324-Y326 VanDerWaalsContact C-N 3.28Å; E324-Y326 PolarHBondContact O-N 3.44Å; Y326-D328 PolarHBondContact O-N 3.13Å; Y326-D328 VanDerWaalsContact O-N 3.17Å |
| 327 | D | 95.9 | Very high | 97.7 | Very high | 87 Ų | 87 | 87.5 Ų | 87.5 | 47% | 0.465 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.6 | 26.2 | 176.3 | -161.9 | 37.1 | 0 | 0 | 0 | 112.9 | R117 M325 | R117-D327 IonicContact CZ-OD2 3.93Å; R117-D327 VanDerWaalsContact CZ-OD2 3.23Å; R117-D327 IonicContact NE-OD2 3.28Å; R117-D327 PolarHBondContact NE-OD2 3.36Å; R117-D327 VanDerWaalsContact NH2-CG 3.29Å; R117-D327 PolarHBondContact NH2-O 3.16Å; R117-D327 IonicContact NH2-OD1 3.93Å; R117-D327 IonicContact NH2-OD2 2.84Å; R117-D327 PolarHBondContact NH2-OD2 3.12Å; M325-D327 PolarHBondContact O-N 3.45Å; M325-D327 VanDerWaalsContact O-N 3.13Å |
| 328 | D | 97 | Very high | 97.6 | Very high | 121 Ų | 121 | 92.3 Ų | 92.3 | 65% | 0.647 | 47% | 0.466 | S | S | * | . | trans | -110.4 | 84.1 | 175.4 | -171.4 | 37 | 0 | 0 | 0 | 109 | Y326 | Y326-D328 PolarHBondContact O-N 3.13Å; Y326-D328 VanDerWaalsContact O-N 3.17Å | ||
| 329 | L | 96.6 | Very high | 97.5 | Very high | 146 Ų | 146 | 99.2 Ų | 99.2 | 76% | 0.764 | 50% | 0.502 | S | S | * | . | trans | -106.6 | 146.7 | -179.1 | -63.5 | 170.7 | 0 | 0 | 0 | 109.6 | ||||
| 330 | A | 97.5 | Very high | 97.4 | Very high | 91 Ų | 91 | 100.9 Ų | 100.9 | 75% | 0.752 | 52% | 0.519 | S | S | * | . | P | Polyproline II helix | trans | -59 | 154.2 | 164.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | L332 | A330-L332 PolarHBondContact O-N 3Š|
| 331 | M | 97.1 | Very high | 97.2 | Very high | 164 Ų | 164 | 102.8 Ų | 102.8 | 81% | 0.808 | 55% | 0.545 | S | S | * | . | P | Polyproline II helix | trans | -59.5 | 138.6 | 175.2 | -175.4 | 170.1 | 174.7 | 0 | 0 | 110 | E333 | M331-E333 PolarHBondContact O-N 3.39Š|
| 332 | L | 97.9 | Very high | 96.9 | Very high | 168 Ų | 168 | 110 Ų | 110 | 88% | 0.88 | 58% | 0.576 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 119.4 | 176.7 | -66.5 | 179.3 | 0 | 0 | 0 | 109.7 | A330 | A330-L332 PolarHBondContact O-N 3Š|
| 333 | E | 97.4 | Very high | 96.7 | Very high | 168 Ų | 168 | 113.5 Ų | 113.5 | 79% | 0.785 | 61% | 0.605 | S | S | * | * | trans | -121.8 | 153.5 | 177.3 | -66.5 | 178.7 | -172.8 | 0 | 0 | 109.4 | M331 D335 | M331-E333 PolarHBondContact O-N 3.39Å; E333-D335 PolarHBondContact O-N 3.32Å | ||
| 334 | K | 97.7 | Very high | 96.3 | Very high | 140 Ų | 140 | 120 Ų | 120 | 61% | 0.609 | 63% | 0.629 | S | S | * | * | trans | -65.3 | 132.9 | 167.3 | -69.5 | -179.5 | 169.1 | -164.7 | 0 | 108.2 | W338 | K334-W338 HydrophobicContact CB-CB 3.96Å; K334-W338 HydrophobicContact CB-CD2 3.9Å; K334-W338 HydrophobicContact CB-CE3 4.12Å; K334-W338 HydrophobicContact CB-CG 3.81Å; K334-W338 HydrophobicContact CD-CD2 3.92Å; K334-W338 HydrophobicContact CD-CG 3.73Å; K334-W338 HydrophobicContact CG-CD2 3.65Å; K334-W338 HydrophobicContact CG-CE3 4.03Å; K334-W338 HydrophobicContact CG-CG 3.85Å; K334-W338 HydrophobicContact CG-CZ2 4.46Å | ||
| 335 | D | 96.9 | Very high | 96.1 | Very high | 94 Ų | 94 | 116.6 Ų | 116.6 | 50% | 0.503 | 62% | 0.623 | S | S | . | * | trans | -70.7 | 169.2 | 177.5 | 67.2 | 74.5 | 0 | 0 | 0 | 112.1 | E333 Y337 W338 | E333-D335 PolarHBondContact O-N 3.32Å; D335-Y337 PolarHBondContact O-N 2.97Å; D335-Y337 VanDerWaalsContact O-N 3.13Å; D335-Y337 VanDerWaalsContact OD1-C 3.26Å; D335-Y337 VanDerWaalsContact OD1-CA 3.29Å; D335-Y337 WeakPolarHBondContact OD1-CA 3.39Å; D335-Y337 PolarHBondContact OD1-N 3.13Å; D335-W338 WeakPolarHBondContact O-CB 3.29Å; D335-W338 PolarHBondContact O-N 3.27Å; D335-W338 PolarHBondContact OD1-N 2.96Å; D335-W338 VanDerWaalsContact OD1-N 3.11Å | ||
| 336 | L | 97.4 | Very high | 95.8 | Very high | 152 Ų | 152 | 116.8 Ų | 116.8 | 80% | 0.796 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.6 | -24 | -177.7 | -179.1 | 61.7 | 0 | 0 | 0 | 113.6 | ||
| 337 | Y | 96.9 | Very high | 95.6 | Very high | 68 Ų | 68 | 121.1 Ų | 121.1 | 27% | 0.267 | 65% | 0.65 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -108.6 | 15.8 | -175.1 | -55.8 | -74.7 | 0 | 0 | 0 | 112.4 | D335 D339 A340 A343 R344 A345 | D335-Y337 PolarHBondContact O-N 2.97Å; D335-Y337 VanDerWaalsContact O-N 3.13Å; D335-Y337 VanDerWaalsContact OD1-C 3.26Å; D335-Y337 VanDerWaalsContact OD1-CA 3.29Å; D335-Y337 WeakPolarHBondContact OD1-CA 3.39Å; D335-Y337 PolarHBondContact OD1-N 3.13Å; Y337-D339 VanDerWaalsContact C-N 3.32Å; Y337-D339 PolarHBondContact O-N 3.02Å; Y337-A340 WeakPolarHBondContact O-CB 3.48Å; Y337-A340 PolarHBondContact O-N 3.43Å; Y337-A343 HydrophobicContact CD1-CB 4.22Å; Y337-A343 HydrophobicContact CD2-CB 4.02Å; Y337-A343 HydrophobicContact CG-CB 3.7Å; Y337-R344 WeakPolarHBondContact CE1-O 3.49Å; Y337-R344 PolarHBondContact OH-O 2.9Å; Y337-R344 VanDerWaalsContact OH-O 3.06Å; Y337-A345 WeakPolarHBondContact OH-CA 3.37Å |
| 338 | W | 96.9 | Very high | 95.7 | Very high | 145 Ų | 145 | 121.3 Ų | 121.3 | 55% | 0.549 | 65% | 0.654 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -51.7 | -43.5 | -171.1 | -178.9 | -92.1 | 0 | 0 | 0 | 114.8 | K334 D335 | K334-W338 HydrophobicContact CB-CB 3.96Å; K334-W338 HydrophobicContact CB-CD2 3.9Å; K334-W338 HydrophobicContact CB-CE3 4.12Å; K334-W338 HydrophobicContact CB-CG 3.81Å; K334-W338 HydrophobicContact CD-CD2 3.92Å; K334-W338 HydrophobicContact CD-CG 3.73Å; K334-W338 HydrophobicContact CG-CD2 3.65Å; K334-W338 HydrophobicContact CG-CE3 4.03Å; K334-W338 HydrophobicContact CG-CG 3.85Å; K334-W338 HydrophobicContact CG-CZ2 4.46Å; D335-W338 WeakPolarHBondContact O-CB 3.29Å; D335-W338 PolarHBondContact O-N 3.27Å; D335-W338 PolarHBondContact OD1-N 2.96Å; D335-W338 VanDerWaalsContact OD1-N 3.11Å |
| 339 | D | 96.6 | Very high | 95.6 | Very high | 146 Ų | 146 | 120.3 Ų | 120.3 | 78% | 0.781 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.6 | 4.6 | 179.2 | -60.9 | -53.9 | 0 | 0 | 0 | 112.8 | Y337 | Y337-D339 VanDerWaalsContact C-N 3.32Å; Y337-D339 PolarHBondContact O-N 3.02Å |
| 340 | A | 95.3 | Very high | 95.4 | Very high | 50 Ų | 50 | 117.2 Ų | 117.2 | 41% | 0.413 | 66% | 0.658 | S | S | . | * | trans | -91.5 | 127.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y337 E342 | Y337-A340 WeakPolarHBondContact O-CB 3.48Å; Y337-A340 PolarHBondContact O-N 3.43Å; A340-E342 PolarHBondContact O-N 3.46Å | ||
| 341 | A | 94.1 | Very high | 95.3 | Very high | 112 Ų | 112 | 115.2 Ų | 115.2 | 93% | 0.926 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -64.6 | -28.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 342 | E | 93 | Very high | 95 | Very high | 163 Ų | 163 | 109.4 Ų | 109.4 | 76% | 0.762 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -123.9 | 105.1 | 178.8 | -65.7 | -174.8 | -175.2 | 0 | 0 | 111.1 | A340 R344 | A340-E342 PolarHBondContact O-N 3.46Å; E342-R344 PolarHBondContact O-N 3.48Å; E342-R344 VanDerWaalsContact O-N 3.1Å |
| 343 | A | 94.1 | Very high | 94.5 | Very high | 73 Ų | 73 | 107.3 Ų | 107.3 | 60% | 0.603 | 60% | 0.598 | S | S | * | * | trans | -79.5 | 88.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y337 | Y337-A343 HydrophobicContact CD1-CB 4.22Å; Y337-A343 HydrophobicContact CD2-CB 4.02Å; Y337-A343 HydrophobicContact CG-CB 3.7Å | ||
| 344 | R | 89.7 | Confident | 93.8 | Very high | 157 Ų | 157 | 103.4 Ų | 103.4 | 59% | 0.592 | 58% | 0.582 | S | S | * | * | trans | -106.1 | 113.8 | 178.3 | -167.5 | 174 | -169.9 | 141.7 | 5.6 | 112.3 | Y337 E342 | Y337-R344 WeakPolarHBondContact CE1-O 3.49Å; Y337-R344 PolarHBondContact OH-O 2.9Å; Y337-R344 VanDerWaalsContact OH-O 3.06Å; E342-R344 PolarHBondContact O-N 3.48Å; E342-R344 VanDerWaalsContact O-N 3.1Å | ||
| 345 | A | 93.8 | Very high | 92.9 | Very high | 61 Ų | 61 | 100.3 Ų | 100.3 | 50% | 0.504 | 57% | 0.572 | S | S | . | * | trans | -64.1 | 140.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y337 Y347 | Y337-A345 WeakPolarHBondContact OH-CA 3.37Å; A345-Y347 WeakPolarHBondContact O-CD2 3.41Å | ||
| 346 | P | 92.8 | Very high | 92.1 | Very high | 118 Ų | 118 | 103.4 Ų | 103.4 | 77% | 0.766 | 58% | 0.584 | S | S | * | * | trans | -69.5 | 153.2 | 177.3 | 29.6 | -34.9 | 0 | 0 | 0 | 111.6 | ||||
| 347 | Y | 93.6 | Very high | 91.5 | Very high | 120 Ų | 120 | 102.8 Ų | 102.8 | 47% | 0.471 | 58% | 0.577 | S | S | . | * | trans | -107.2 | 142.9 | 176.5 | -75.9 | -113.7 | 0 | 0 | 0 | 110.2 | A345 L355 | A345-Y347 WeakPolarHBondContact O-CD2 3.41Å; Y347-L355 HydrophobicContact CD1-CD2 4.24Å; Y347-L355 HydrophobicContact CD1-CG 4.28Å; Y347-L355 HydrophobicContact CD2-CD1 4.32Å; Y347-L355 HydrophobicContact CD2-CD2 3.61Å; Y347-L355 HydrophobicContact CD2-CG 4.24Å; Y347-L355 HydrophobicContact CE1-CD2 4.21Å; Y347-L355 HydrophobicContact CE2-CD2 3.56Å; Y347-L355 HydrophobicContact CG-CD1 4.16Å; Y347-L355 HydrophobicContact CG-CD2 3.96Å; Y347-L355 HydrophobicContact CG-CG 4.1Å | ||
| 348 | T | 96.4 | Very high | 91 | Very high | 91 Ų | 91 | 105 Ų | 105 | 56% | 0.558 | 60% | 0.599 | S | S | * | * | trans | -70.2 | 158.6 | 169.7 | 66.8 | 0 | 0 | 0 | 0 | 110.7 | A350 T351 A352 | T348-A350 PolarHBondContact O-N 2.92Å; T348-A350 VanDerWaalsContact O-N 3.16Å; T348-T351 PolarHBondContact N-OG1 3.23Å; T348-T351 PolarHBondContact O-N 2.88Å; T348-T351 PolarHBondContact O-OG1 3.14Å; T348-T351 PolarHBondContact OG1-OG1 2.84Å; T348-T351 VanDerWaalsContact OG1-OG1 3.1Å; T348-A352 PolarHBondContact O-N 3.29Å | ||
| 349 | A | 95.2 | Very high | 90.6 | Very high | 100 Ų | 100 | 102.6 Ų | 102.6 | 83% | 0.826 | 60% | 0.604 | S | S | * | * | G | 310 helix | trans | -54.8 | -35.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | T351 A352 | A349-T351 PolarHBondContact O-N 2.87Å; A349-A352 PolarHBondContact O-N 2.61Å |
| 350 | A | 94.1 | Very high | 90.3 | Very high | 80 Ų | 80 | 103.6 Ų | 103.6 | 66% | 0.661 | 60% | 0.602 | S | S | * | * | G | 310 helix | trans | -66.3 | -22.4 | 179 | 0 | 0 | 0 | 0 | 0 | 113.8 | T348 F353 | T348-A350 PolarHBondContact O-N 2.92Å; T348-A350 VanDerWaalsContact O-N 3.16Å; A350-F353 WeakPolarHBondContact O-CD1 3.49Å; A350-F353 VanDerWaalsContact O-CE1 3.22Å; A350-F353 WeakPolarHBondContact O-CE1 3.39Å |
| 351 | T | 94.2 | Very high | 90.2 | Very high | 50 Ų | 50 | 107.2 Ų | 107.2 | 31% | 0.307 | 61% | 0.61 | S | S | . | * | G | 310 helix | trans | -114 | 0.2 | -178.1 | 54.3 | 0 | 0 | 0 | 0 | 113.5 | T348 A349 F353 L354 | T348-T351 PolarHBondContact N-OG1 3.23Å; T348-T351 PolarHBondContact O-N 2.88Å; T348-T351 PolarHBondContact O-OG1 3.14Å; T348-T351 PolarHBondContact OG1-OG1 2.84Å; T348-T351 VanDerWaalsContact OG1-OG1 3.1Å; A349-T351 PolarHBondContact O-N 2.87Å; T351-F353 PolarHBondContact O-N 2.85Å; T351-L354 WeakPolarHBondContact O-CB 3.42Å; T351-L354 PolarHBondContact O-N 3.33Å |
| 352 | A | 90.8 | Very high | 90 | Very high | 41 Ų | 41 | 102.9 Ų | 102.9 | 34% | 0.339 | 58% | 0.577 | S | S | . | * | G | 310 helix | trans | -60.2 | -30 | -178 | 0 | 0 | 0 | 0 | 0 | 113.3 | T348 A349 L354 L355 | T348-A352 PolarHBondContact O-N 3.29Å; A349-A352 PolarHBondContact O-N 2.61Å; A352-L354 PolarHBondContact O-N 2.84Å; A352-L355 VanDerWaalsContact O-CB 3.25Å; A352-L355 WeakPolarHBondContact O-CB 3.48Å; A352-L355 WeakPolarHBondContact O-CG 3.43Å; A352-L355 PolarHBondContact O-N 3.29Å |
| 353 | F | 87.4 | Confident | 90 | Very high | 125 Ų | 125 | 99.9 Ų | 99.9 | 55% | 0.548 | 57% | 0.574 | S | S | . | * | G | 310 helix | trans | -61.5 | -23.9 | 176.9 | 75.1 | -88.3 | 0 | 0 | 0 | 113.2 | A350 T351 L355 Q356 | A350-F353 WeakPolarHBondContact O-CD1 3.49Å; A350-F353 VanDerWaalsContact O-CE1 3.22Å; A350-F353 WeakPolarHBondContact O-CE1 3.39Å; T351-F353 PolarHBondContact O-N 2.85Å; F353-L355 PolarHBondContact O-N 3.26Å; F353-Q356 WeakPolarHBondContact O-CB 3.36Å; F353-Q356 PolarHBondContact O-N 3.06Å |
| 354 | L | 82.7 | Confident | 89.8 | Confident | 86 Ų | 86 | 100.5 Ų | 100.5 | 45% | 0.45 | 57% | 0.57 | S | S | . | * | G | 310 helix | trans | -68.5 | -24.9 | 176.6 | -65.4 | 172.2 | 0 | 0 | 0 | 112.3 | T351 A352 Q356 Q357 | T351-L354 WeakPolarHBondContact O-CB 3.42Å; T351-L354 PolarHBondContact O-N 3.33Å; A352-L354 PolarHBondContact O-N 2.84Å; L354-Q356 PolarHBondContact O-N 3.28Å; L354-Q357 WeakPolarHBondContact O-CB 3.43Å; L354-Q357 PolarHBondContact O-N 2.94Å |
| 355 | L | 79.1 | Confident | 89.5 | Confident | 74 Ų | 74 | 99.9 Ų | 99.9 | 39% | 0.387 | 57% | 0.572 | S | S | . | * | G | 310 helix | trans | -66.1 | -18.9 | 177.4 | -63.1 | 169.7 | 0 | 0 | 0 | 113 | Y347 A352 F353 Q357 | Y347-L355 HydrophobicContact CD1-CD2 4.24Å; Y347-L355 HydrophobicContact CD1-CG 4.28Å; Y347-L355 HydrophobicContact CD2-CD1 4.32Å; Y347-L355 HydrophobicContact CD2-CD2 3.61Å; Y347-L355 HydrophobicContact CD2-CG 4.24Å; Y347-L355 HydrophobicContact CE1-CD2 4.21Å; Y347-L355 HydrophobicContact CE2-CD2 3.56Å; Y347-L355 HydrophobicContact CG-CD1 4.16Å; Y347-L355 HydrophobicContact CG-CD2 3.96Å; Y347-L355 HydrophobicContact CG-CG 4.1Å; A352-L355 VanDerWaalsContact O-CB 3.25Å; A352-L355 WeakPolarHBondContact O-CB 3.48Å; A352-L355 WeakPolarHBondContact O-CG 3.43Å; A352-L355 PolarHBondContact O-N 3.29Å; F353-L355 PolarHBondContact O-N 3.26Å; L355-Q357 PolarHBondContact O-N 3.4Å |
| 356 | Q | 79.6 | Confident | 88.9 | Confident | 160 Ų | 160 | 104.4 Ų | 104.4 | 75% | 0.748 | 59% | 0.588 | S | S | * | * | G | 310 helix | trans | -78.7 | -11.7 | 179.1 | -60 | 175.7 | -8.4 | 0 | 0 | 112.3 | F353 L354 | F353-Q356 WeakPolarHBondContact O-CB 3.36Å; F353-Q356 PolarHBondContact O-N 3.06Å; L354-Q356 PolarHBondContact O-N 3.28Å |
| 357 | Q | 86.1 | Confident | 88.5 | Confident | 139 Ų | 139 | 103.8 Ų | 103.8 | 65% | 0.65 | 58% | 0.577 | S | S | * | * | S | Bend | trans | -79.9 | 128.8 | 175.5 | -59.7 | -63.3 | -43.8 | 0 | 0 | 109.2 | L354 L355 | L354-Q357 WeakPolarHBondContact O-CB 3.43Å; L354-Q357 PolarHBondContact O-N 2.94Å; L355-Q357 PolarHBondContact O-N 3.4Å |
| 358 | P | 85.8 | Confident | 87.8 | Confident | 115 Ų | 115 | 102.7 Ų | 102.7 | 75% | 0.747 | 59% | 0.592 | S | S | * | * | P | Polyproline II helix | trans | -64 | 149.4 | 175.4 | 27.6 | -33.8 | 0 | 0 | 0 | 110.4 | F360 | P358-F360 PolarHBondContact O-N 2.94Š|
| 359 | S | 88.9 | Confident | 87.1 | Confident | 93 Ų | 93 | 103.1 Ų | 103.1 | 65% | 0.65 | 59% | 0.591 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 123.8 | 173 | -177.9 | 0 | 0 | 0 | 0 | 109.5 | Q361 | S359-Q361 PolarHBondContact O-N 3.43Å; S359-Q361 VanDerWaalsContact O-N 3.14Å; S359-Q361 PolarHBondContact OG-NE2 2.98Å |
| 360 | F | 90.6 | Very high | 86.5 | Confident | 168 Ų | 168 | 100.9 Ų | 100.9 | 74% | 0.737 | 57% | 0.573 | S | S | * | * | trans | -69.3 | 109.5 | 175.9 | 177.8 | -106.7 | 0 | 0 | 0 | 109.7 | P358 | P358-F360 PolarHBondContact O-N 2.94Š| ||
| 361 | Q | 91.8 | Very high | 85.8 | Confident | 125 Ų | 125 | 105.2 Ų | 105.2 | 58% | 0.584 | 58% | 0.577 | S | S | * | * | trans | -88.9 | -24.2 | 179 | -60.3 | -58.9 | -35.3 | 0 | 0 | 112.5 | S359 F365 | S359-Q361 PolarHBondContact O-N 3.43Å; S359-Q361 VanDerWaalsContact O-N 3.14Å; S359-Q361 PolarHBondContact OG-NE2 2.98Å; Q361-F365 VanDerWaalsContact C-CD2 3.5Å; Q361-F365 VanDerWaalsContact C-CE2 3.48Å; Q361-F365 HydrophobicContact CB-CD1 4.15Å; Q361-F365 HydrophobicContact CB-CD2 3.66Å; Q361-F365 HydrophobicContact CB-CE1 4.22Å; Q361-F365 HydrophobicContact CB-CE2 3.76Å; Q361-F365 HydrophobicContact CB-CG 3.86Å; Q361-F365 HydrophobicContact CB-CZ 4.03Å; Q361-F365 WeakPolarHBondContact O-CD2 3.5Å; Q361-F365 WeakPolarHBondContact O-CE2 3.49Å | ||
| 362 | G | 91.1 | Very high | 85 | Confident | 21 Ų | 21 | 110.5 Ų | 110.5 | 22% | 0.216 | 60% | 0.598 | C | S | . | * | trans | 139.3 | 153.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | T364 F365 | G362-T364 PolarHBondContact O-N 3.34Å; G362-T364 VanDerWaalsContact O-N 3.17Å; G362-F365 PolarHBondContact O-N 2.84Å | ||
| 363 | S | 91.8 | Very high | 84.4 | Confident | 101 Ų | 101 | 114.2 Ų | 114.2 | 71% | 0.706 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.4 | -16.6 | -175.7 | 57.3 | 0 | 0 | 0 | 0 | 114.2 | ||
| 364 | T | 90.1 | Very high | 84 | Confident | 86 Ų | 86 | 113.2 Ų | 113.2 | 53% | 0.528 | 61% | 0.61 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89.8 | -10.1 | -176 | 55.1 | 0 | 0 | 0 | 0 | 113.6 | G362 D366 I367 | G362-T364 PolarHBondContact O-N 3.34Å; G362-T364 VanDerWaalsContact O-N 3.17Å; T364-D366 PolarHBondContact O-N 3.18Å; T364-I367 HydrophobicContact CG2-CD1 3.86Å; T364-I367 VanDerWaalsContact O-CB 3.25Å; T364-I367 WeakPolarHBondContact O-CB 2.8Å; T364-I367 WeakPolarHBondContact O-CG1 3.49Å; T364-I367 PolarHBondContact O-N 3.26Å |
| 365 | F | 83.6 | Confident | 83.9 | Confident | 144 Ų | 144 | 116.2 Ų | 116.2 | 63% | 0.632 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.5 | -19.8 | -177 | -80.6 | -94.3 | 0 | 0 | 0 | 113.5 | Q361 G362 I367 | Q361-F365 VanDerWaalsContact C-CD2 3.5Å; Q361-F365 VanDerWaalsContact C-CE2 3.48Å; Q361-F365 HydrophobicContact CB-CD1 4.15Å; Q361-F365 HydrophobicContact CB-CD2 3.66Å; Q361-F365 HydrophobicContact CB-CE1 4.22Å; Q361-F365 HydrophobicContact CB-CE2 3.76Å; Q361-F365 HydrophobicContact CB-CG 3.86Å; Q361-F365 HydrophobicContact CB-CZ 4.03Å; Q361-F365 WeakPolarHBondContact O-CD2 3.5Å; Q361-F365 WeakPolarHBondContact O-CE2 3.49Å; G362-F365 PolarHBondContact O-N 2.84Å; F365-I367 VanDerWaalsContact C-N 3.32Å |
| 366 | D | 81.5 | Confident | 83.9 | Confident | 155 Ų | 155 | 122.2 Ų | 122.2 | 83% | 0.829 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.2 | -3.2 | 172.8 | -62.6 | -30.1 | 0 | 0 | 0 | 112.7 | T364 A368 | T364-D366 PolarHBondContact O-N 3.18Å; D366-A368 PolarHBondContact O-N 2.96Å; D366-A368 VanDerWaalsContact O-N 3.16Å |
| 367 | I | 83.6 | Confident | 83.7 | Confident | 106 Ų | 106 | 123.7 Ų | 123.7 | 54% | 0.544 | 65% | 0.652 | S | S | . | * | trans | -78.3 | 102.9 | 178.4 | -58.3 | 175.9 | 0 | 0 | 0 | 108.6 | T364 F365 L369 | T364-I367 HydrophobicContact CG2-CD1 3.86Å; T364-I367 VanDerWaalsContact O-CB 3.25Å; T364-I367 WeakPolarHBondContact O-CB 2.8Å; T364-I367 WeakPolarHBondContact O-CG1 3.49Å; T364-I367 PolarHBondContact O-N 3.26Å; F365-I367 VanDerWaalsContact C-N 3.32Å; I367-L369 HydrophobicContact CG2-CD2 4.43Å; I367-L369 HydrophobicContact CG2-CG 4.49Å | ||
| 368 | A | 79.2 | Confident | 82.7 | Confident | 96 Ų | 96 | 127 Ų | 127 | 79% | 0.793 | 66% | 0.659 | S | S | * | * | trans | -83.8 | 115.5 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | D366 | D366-A368 PolarHBondContact O-N 2.96Å; D366-A368 VanDerWaalsContact O-N 3.16Å | ||
| 369 | L | 83 | Confident | 81.7 | Confident | 100 Ų | 100 | 129.4 Ų | 129.4 | 52% | 0.524 | 66% | 0.664 | S | S | . | * | trans | -87.1 | 144.5 | 169 | -69.1 | 173 | 0 | 0 | 0 | 110 | I367 M374 | I367-L369 HydrophobicContact CG2-CD2 4.43Å; I367-L369 HydrophobicContact CG2-CG 4.49Å; L369-M374 HydrophobicContact CB-CG 3.62Å; L369-M374 HydrophobicContact CB-SD 4.36Å; L369-M374 HydrophobicContact CD1-CG 4.46Å | ||
| 370 | A | 81.3 | Confident | 80 | Confident | 54 Ų | 54 | 131.9 Ų | 131.9 | 45% | 0.446 | 67% | 0.67 | S | S | . | * | trans | -63 | 147.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | E372 D373 M374 | A370-E372 PolarHBondContact O-N 3.26Å; A370-D373 PolarHBondContact O-N 3.32Å; A370-M374 WeakPolarHBondContact O-CG 3.23Å; A370-M374 PolarHBondContact O-N 3.48Å; A370-M374 VanDerWaalsContact O-N 3.1Å | ||
| 371 | K | 78.9 | Confident | 78.6 | Confident | 171 Ų | 171 | 127.3 Ų | 127.3 | 74% | 0.743 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.3 | -28 | -178 | -72.8 | -175.5 | 177.8 | -178.2 | 0 | 113.7 | M374 | K371-M374 HydrophobicContact CB-CE 4.12Å; K371-M374 HydrophobicContact CG-CE 3.64Å |
| 372 | E | 78.6 | Confident | 76.8 | Confident | 161 Ų | 161 | 127.4 Ų | 127.4 | 75% | 0.752 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.4 | -42.9 | 177.2 | -62.1 | 168.6 | -151.2 | 0 | 0 | 111.1 | A370 M374 Q375 | A370-E372 PolarHBondContact O-N 3.26Å; E372-M374 VanDerWaalsContact C-N 3.29Å; E372-M374 PolarHBondContact O-N 3.3Å; E372-Q375 PolarHBondContact O-N 3.32Å |
| 373 | D | 78.5 | Confident | 74.9 | Confident | 118 Ų | 118 | 134.8 Ų | 134.8 | 63% | 0.631 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | -16.4 | 177.7 | -57.3 | -36.3 | 0 | 0 | 0 | 113 | A370 Q375 | A370-D373 PolarHBondContact O-N 3.32Å; D373-Q375 VanDerWaalsContact C-N 3.32Å |
| 374 | M | 78.4 | Confident | 72.5 | Confident | 104 Ų | 104 | 133.2 Ų | 133.2 | 51% | 0.512 | 71% | 0.713 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.9 | -8.7 | 175 | -68.7 | -167.1 | -71.1 | 0 | 0 | 113.2 | L369 A370 K371 E372 F376 | L369-M374 HydrophobicContact CB-CG 3.62Å; L369-M374 HydrophobicContact CB-SD 4.36Å; L369-M374 HydrophobicContact CD1-CG 4.46Å; A370-M374 WeakPolarHBondContact O-CG 3.23Å; A370-M374 PolarHBondContact O-N 3.48Å; A370-M374 VanDerWaalsContact O-N 3.1Å; K371-M374 HydrophobicContact CB-CE 4.12Å; K371-M374 HydrophobicContact CG-CE 3.64Å; E372-M374 VanDerWaalsContact C-N 3.29Å; E372-M374 PolarHBondContact O-N 3.3Å; M374-F376 PolarHBondContact O-N 2.92Å |
| 375 | Q | 81.4 | Confident | 70.3 | Confident | 149 Ų | 149 | 135.3 Ų | 135.3 | 70% | 0.696 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -74.1 | 124.4 | 178.9 | -64.1 | -176.3 | 5 | 0 | 0 | 110 | E372 D373 Q377 | E372-Q375 PolarHBondContact O-N 3.32Å; D373-Q375 VanDerWaalsContact C-N 3.32Å; Q375-Q377 PolarHBondContact O-N 3.44Å; Q375-Q377 VanDerWaalsContact O-N 3.14Å |
| 376 | F | 78.6 | Confident | 68.7 | Low | 201 Ų | 201 | 137.8 Ų | 137.8 | 88% | 0.882 | 75% | 0.747 | S | S | * | * | trans | -65 | 115.3 | 169.4 | -67.1 | -73.3 | 0 | 0 | 0 | 109 | M374 R378 | M374-F376 PolarHBondContact O-N 2.92Å; F376-R378 PolarHBondContact O-N 3.49Å | ||
| 377 | Q | 75.4 | Confident | 66.5 | Low | 191 Ų | 191 | 133.6 Ų | 133.6 | 89% | 0.893 | 74% | 0.741 | S | S | * | * | trans | -68.7 | 104.9 | 171.3 | -156.4 | 167.6 | 33.2 | 0 | 0 | 107.6 | Q375 L379 | Q375-Q377 PolarHBondContact O-N 3.44Å; Q375-Q377 VanDerWaalsContact O-N 3.14Å; Q377-L379 PolarHBondContact O-N 2.96Å | ||
| 378 | R | 64.8 | Low | 64.5 | Low | 209 Ų | 209 | 137.9 Ų | 137.9 | 79% | 0.789 | 76% | 0.759 | S | S | * | * | trans | -64.6 | 124.4 | 169.6 | -84.7 | -173.5 | 170.4 | 158.1 | -1.9 | 107.9 | F376 D380 | F376-R378 PolarHBondContact O-N 3.49Å; R378-D380 PolarHBondContact O-N 3.32Å | ||
| 379 | L | 65.4 | Low | 62.6 | Low | 165 Ų | 165 | 138.3 Ų | 138.3 | 86% | 0.864 | 76% | 0.762 | S | S | * | * | trans | -73 | 74.9 | 165.1 | -79.9 | 160.1 | 0 | 0 | 0 | 108.1 | Q377 G381 | Q377-L379 PolarHBondContact O-N 2.96Å; L379-G381 PolarHBondContact O-N 3.03Å; L379-G381 VanDerWaalsContact O-N 3.12Å | ||
| 380 | D | 52.8 | Low | 60.6 | Low | 145 Ų | 145 | 142.6 Ų | 142.6 | 78% | 0.775 | 78% | 0.779 | S | S | * | * | trans | -75.7 | 97.7 | 170 | -70.7 | -24.9 | 0 | 0 | 0 | 107.8 | R378 | R378-D380 PolarHBondContact O-N 3.32Š| ||
| 381 | G | 60.5 | Low | 59 | Low | 71 Ų | 71 | 143.2 Ų | 143.2 | 73% | 0.732 | 79% | 0.79 | S | S | * | * | trans | 141.4 | 46.1 | 169.2 | 0 | 0 | 0 | 0 | 0 | 117.8 | L379 | L379-G381 PolarHBondContact O-N 3.03Å; L379-G381 VanDerWaalsContact O-N 3.12Å | ||
| 382 | V | 55 | Low | 57.3 | Low | 127 Ų | 127 | 141.6 Ų | 141.6 | 77% | 0.77 | 79% | 0.79 | S | S | * | * | trans | -121.1 | 61.4 | 161.2 | -169.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 383 | D | 50.3 | Low | 55.6 | Low | 176 Ų | 176 | 142.3 Ų | 142.3 | 94% | 0.941 | 79% | 0.791 | S | S | * | * | trans | -142.1 | 87.4 | 156.8 | -86 | -38.3 | 0 | 0 | 0 | 107.2 | ||||
| 384 | G | 41.1 | Very low | 53.8 | Low | 68 Ų | 68 | 143.6 Ų | 143.6 | 70% | 0.701 | 80% | 0.797 | S | S | * | * | S | Bend | trans | 174.7 | 139 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 385 | P | 43.7 | Very low | 52.2 | Low | 130 Ų | 130 | 146.4 Ų | 146.4 | 84% | 0.844 | 81% | 0.809 | S | S | * | * | trans | -73 | 149.9 | -144.7 | 28.4 | -34.6 | 0 | 0 | 0 | 115.6 | G387 | P385-G387 PolarHBondContact O-N 3.48Š| ||
| 386 | L | 50.1 | Low | 50.4 | Low | 196 Ų | 196 | 150.8 Ų | 150.8 | 100% | 1.026 | 82% | 0.819 | S | S | * | * | trans | -51.9 | 102.1 | 167.4 | -81.2 | 155.4 | 0 | 0 | 0 | 110.9 | ||||
| 387 | G | 35.3 | Very low | 48.8 | Very low | 68 Ų | 68 | 147.2 Ų | 147.2 | 70% | 0.701 | 81% | 0.808 | S | S | * | * | trans | -158.2 | 105.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | P385 | P385-G387 PolarHBondContact O-N 3.48Š| ||
| 388 | E | 43.3 | Very low | 47 | Very low | 196 Ų | 196 | 145.2 Ų | 145.2 | 92% | 0.916 | 80% | 0.803 | S | S | * | * | trans | 33.2 | 104.1 | 158.9 | -66 | -176.3 | 143.6 | 0 | 0 | 119.2 | ||||
| 389 | A | 37.7 | Very low | 46.2 | Very low | 104 Ų | 104 | 141.4 Ų | 141.4 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | trans | -151.1 | 117.1 | 139.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 390 | H | 41.2 | Very low | 44.9 | Very low | 191 Ų | 191 | 138.6 Ų | 138.6 | 88% | 0.884 | 81% | 0.806 | S | S | * | * | trans | -61.6 | 142.3 | 178.8 | -99.9 | 50.5 | 0 | 0 | 0 | 113.4 | ||||
| 391 | G | 47.4 | Very low | 43.8 | Very low | 66 Ų | 66 | 135.2 Ų | 135.2 | 68% | 0.68 | 81% | 0.805 | S | S | * | * | 60.5 | 91.3 | 129.2 | 0 | 0 | 0 | 0 | 0 | 118.2 | |||||
| 392 | D | 43.9 | Very low | 42.4 | Very low | 138 Ų | 138 | 137.3 Ų | 137.3 | 74% | 0.738 | 82% | 0.815 | S | S | * | * | trans | -159.9 | 20.4 | 152.3 | -104.6 | -13.8 | 0 | 0 | 0 | 114.7 | ||||
| 393 | F | 43.5 | Very low | 41.2 | Very low | 176 Ų | 176 | 134.6 Ų | 134.6 | 77% | 0.772 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -90.7 | -23.1 | 177.8 | -165.6 | -106.2 | 0 | 0 | 0 | 113.3 | ||
| 394 | L | 41.1 | Very low | 40.2 | Very low | 145 Ų | 145 | 132.6 Ų | 132.6 | 76% | 0.759 | 81% | 0.807 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.9 | 3.8 | -174.5 | -71.7 | 176.3 | 0 | 0 | 0 | 115 | ||
| 395 | Q | 43 | Very low | 39.6 | Very low | 162 Ų | 162 | 136.4 Ų | 136.4 | 76% | 0.757 | 82% | 0.817 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.4 | -3.1 | -179.2 | -140.7 | 158.3 | 14.5 | 0 | 0 | 114.5 | ||
| 396 | R | 45.3 | Very low | 38.8 | Very low | 241 Ų | 241 | 133.4 Ų | 133.4 | 91% | 0.909 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -93.3 | -1 | 173.2 | -87.9 | -177 | 177.3 | 165.9 | 1 | 114.9 | ||
| 397 | L | 44.8 | Very low | 38.4 | Very low | 127 Ų | 127 | 129.9 Ų | 129.9 | 67% | 0.665 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -116.7 | 15.7 | -170.6 | -74.1 | 169.8 | 0 | 0 | 0 | 115.2 | ||
| 398 | L | 37 | Very low | 38.2 | Very low | 149 Ų | 149 | 135.1 Ų | 135.1 | 78% | 0.78 | 81% | 0.81 | S | S | * | * | trans | -116.2 | 131.7 | 173.2 | -71.4 | 173.4 | 0 | 0 | 0 | 112.4 | A400 | L398-A400 PolarHBondContact O-N 3.45Š| ||
| 399 | P | 47.4 | Very low | 37.5 | Very low | 129 Ų | 129 | 129.5 Ų | 129.5 | 84% | 0.838 | 80% | 0.804 | S | S | * | * | trans | -83.8 | 108.7 | 171.8 | 32 | -27.2 | 0 | 0 | 0 | 109.4 | ||||
| 400 | A | 37.7 | Very low | 37.3 | Very low | 105 Ų | 105 | 136 Ų | 136 | 87% | 0.868 | 81% | 0.806 | S | S | * | * | trans | -94.1 | 121.2 | 171 | 0 | 0 | 0 | 0 | 0 | 110 | L398 | L398-A400 PolarHBondContact O-N 3.45Š| ||
| 401 | G | 31 | Very low | 36.9 | Very low | 74 Ų | 74 | 138.7 Ų | 138.7 | 76% | 0.763 | 81% | 0.809 | S | S | * | * | trans | -91.4 | 169.2 | -176 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 402 | A | 31.7 | Very low | 36.2 | Very low | 115 Ų | 115 | 143 Ų | 143 | 95% | 0.95 | 82% | 0.815 | S | S | * | * | trans | 68.8 | 115.7 | 149.6 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 403 | G | 28.2 | Very low | 35.6 | Very low | 70 Ų | 70 | 142 Ų | 142 | 72% | 0.722 | 82% | 0.819 | S | S | * | * | trans | -177.4 | 64.7 | 166.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 404 | T | 29.4 | Very low | 35.1 | Very low | 134 Ų | 134 | 141.5 Ų | 141.5 | 82% | 0.822 | 82% | 0.824 | S | S | * | * | trans | 54.3 | 113.8 | 146 | 51.4 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 405 | V | 28.7 | Very low | 34.8 | Very low | 148 Ų | 148 | 143.1 Ų | 143.1 | 90% | 0.897 | 83% | 0.833 | S | S | * | * | 66.2 | 107 | 129.6 | -166.8 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 406 | G | 27.8 | Very low | 34.1 | Very low | 68 Ų | 68 | 145.9 Ų | 145.9 | 70% | 0.701 | 84% | 0.836 | S | S | * | * | 140.6 | 159.1 | 119.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 407 | P | 41 | Very low | 33.6 | Very low | 122 Ų | 122 | 145.7 Ų | 145.7 | 79% | 0.792 | 84% | 0.835 | S | S | * | * | -121.1 | 176.6 | -114.1 | 32.1 | -17.1 | 0 | 0 | 0 | 118.5 | |||||
| 408 | L | 31 | Very low | 32.7 | Very low | 177 Ų | 177 | 148.1 Ų | 148.1 | 93% | 0.927 | 84% | 0.84 | S | S | * | * | trans | 94.4 | 117.6 | 158.6 | -74.7 | 126.3 | 0 | 0 | 0 | 120.1 | ||||
| 409 | G | 28.9 | Very low | 32.5 | Very low | 78 Ų | 78 | 148.1 Ų | 148.1 | 80% | 0.804 | 84% | 0.841 | S | S | * | * | trans | 152 | 60 | 155.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | R411 | G409-R411 PolarHBondContact O-N 3.38Š| ||
| 410 | R | 33.8 | Very low | 31.6 | Very low | 240 Ų | 240 | 147.3 Ų | 147.3 | 91% | 0.906 | 84% | 0.839 | S | S | * | * | trans | -63.2 | 122.3 | 168.2 | -91 | -179.7 | 172.6 | 178.7 | -2.3 | 110.6 | ||||
| 411 | R | 31.8 | Very low | 31 | Very low | 248 Ų | 248 | 148.3 Ų | 148.3 | 94% | 0.936 | 84% | 0.838 | S | S | * | * | trans | -133.3 | 106.6 | 148 | -84.9 | -167.2 | -177.3 | -145.1 | 2 | 109.6 | G409 | G409-R411 PolarHBondContact O-N 3.38Š| ||
| 412 | L | 33.4 | Very low | 31.2 | Very low | 156 Ų | 156 | 150.9 Ų | 150.9 | 82% | 0.817 | 84% | 0.839 | S | S | * | * | trans | -79.8 | 119.1 | 163.4 | -83 | 150.4 | 0 | 0 | 0 | 107.9 | ||||
| 413 | S | 31.9 | Very low | 30.9 | Very low | 117 Ų | 117 | 151.3 Ų | 151.3 | 82% | 0.818 | 83% | 0.834 | S | S | * | * | trans | -91.2 | 102.8 | 166 | 40.4 | 0 | 0 | 0 | 0 | 109.6 | L415 | S413-L415 PolarHBondContact O-N 3.12Š| ||
| 414 | L | 32.5 | Very low | 31 | Very low | 166 Ų | 166 | 156.8 Ų | 156.8 | 87% | 0.869 | 84% | 0.841 | S | S | * | * | trans | -62.3 | 121.1 | 164 | -81.9 | 148.3 | 0 | 0 | 0 | 109.9 | R416 | L414-R416 PolarHBondContact O-N 3.47Š| ||
| 415 | L | 34.3 | Very low | 30.8 | Very low | 180 Ų | 180 | 154.7 Ų | 154.7 | 94% | 0.942 | 84% | 0.838 | S | S | * | * | trans | -75.7 | 108.5 | 168.1 | -83.9 | 165 | 0 | 0 | 0 | 109.6 | S413 R417 | S413-L415 PolarHBondContact O-N 3.12Å; L415-R417 PolarHBondContact O-N 2.86Å | ||
| 416 | R | 29.1 | Very low | 30.8 | Very low | 220 Ų | 220 | 153.7 Ų | 153.7 | 83% | 0.83 | 84% | 0.837 | S | S | * | * | trans | -76.1 | 110.1 | -179.2 | -174.3 | 178.2 | -176.3 | 177.4 | 2 | 110.1 | L414 K418 | L414-R416 PolarHBondContact O-N 3.47Å; R416-K418 PolarHBondContact O-N 2.94Å | ||
| 417 | R | 33.3 | Very low | 30.8 | Very low | 236 Ų | 236 | 157.1 Ų | 157.1 | 89% | 0.891 | 85% | 0.845 | S | S | * | * | trans | -65.4 | 117 | 167.5 | -156.9 | 177.5 | -168.6 | -179.2 | 3.3 | 108.7 | L415 | L415-R417 PolarHBondContact O-N 2.86Š| ||
| 418 | K | 26.9 | Very low | 30.1 | Very low | 178 Ų | 178 | 156.1 Ų | 156.1 | 77% | 0.774 | 85% | 0.846 | S | S | * | * | trans | -100.5 | 109.8 | 170.1 | -117.9 | -178.9 | 177.8 | -176.3 | 0 | 108 | R416 | R416-K418 PolarHBondContact O-N 2.94Š| ||
| 419 | N | 32.1 | Very low | 29.8 | Very low | 149 Ų | 149 | 152.3 Ų | 152.3 | 80% | 0.797 | 84% | 0.841 | S | S | * | * | trans | -64.6 | 133.3 | 153.1 | -75.4 | -10.1 | 0 | 0 | 0 | 107.2 | ||||
| 420 | S | 28.3 | Very low | 29.6 | Very low | 113 Ų | 113 | 153.9 Ų | 153.9 | 79% | 0.79 | 84% | 0.84 | S | S | * | * | trans | -136.2 | 120.7 | 158.7 | 58.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 421 | C | 27.1 | Very low | 29.2 | Very low | 125 Ų | 125 | 149.1 Ų | 149.1 | 85% | 0.845 | 84% | 0.841 | S | S | * | * | trans | -59.4 | 158.5 | 165.8 | -62.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 422 | V | 33.7 | Very low | 29 | Very low | 129 Ų | 129 | 140.4 Ų | 140.4 | 78% | 0.782 | 83% | 0.828 | S | S | * | * | trans | -34.3 | 137.9 | 162.5 | -178.7 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 423 | S | 26.6 | Very low | 28.6 | Very low | 123 Ų | 123 | 139.7 Ų | 139.7 | 86% | 0.86 | 84% | 0.835 | S | S | * | * | trans | -151.1 | 141.8 | 146.3 | -74.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 424 | E | 28.8 | Very low | 28.4 | Very low | 185 Ų | 185 | 139.4 Ų | 139.4 | 86% | 0.864 | 84% | 0.84 | S | S | * | * | trans | -77.1 | 170 | -164.4 | -65.9 | 171.7 | 128 | 0 | 0 | 115.7 | ||||
| 425 | A | 26.6 | Very low | 28.3 | Very low | 91 Ų | 91 | 135.4 Ų | 135.4 | 75% | 0.752 | 84% | 0.838 | S | S | * | * | trans | 99.8 | 102.1 | 142.9 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 426 | S | 27.2 | Very low | 28 | Very low | 126 Ų | 126 | 133.6 Ų | 133.6 | 88% | 0.881 | 84% | 0.835 | S | S | * | * | -146.9 | 101.1 | 129.1 | -45.7 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 427 | T | 28.6 | Very low | 28 | Very low | 141 Ų | 141 | 127.5 Ų | 127.5 | 87% | 0.865 | 83% | 0.832 | S | S | * | * | trans | -55.6 | 137.1 | 159.3 | 37.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 428 | A | 26.1 | Very low | 27.7 | Very low | 100 Ų | 100 | 123.5 Ų | 123.5 | 83% | 0.826 | 83% | 0.828 | S | S | * | * | 179.6 | 160.7 | 82 | 0 | 0 | 0 | 0 | 0 | 107.6 | |||||
| 429 | A | 25.9 | Very low | 27.8 | Very low | 97 Ų | 97 | 120.7 Ų | 120.7 | 80% | 0.802 | 83% | 0.831 | S | S | * | * | cis | -147 | 154.8 | 13.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 430 | S | 24.7 | Very low | 27.6 | Very low | 112 Ų | 112 | 117.2 Ų | 117.2 | 78% | 0.783 | 83% | 0.831 | S | S | * | * | trans | -54.3 | 145.9 | 178.3 | 52.5 | 0 | 0 | 0 | 0 | 116 | ||||
| 431 | C | 24.9 | Very low | 27.7 | Very low | 139 Ų | 139 | 115.7 Ų | 115.7 | 94% | 0.939 | 83% | 0.833 | S | S | * | * | -142.1 | 111.6 | 122.5 | -138.7 | 0 | 0 | 0 | 0 | 108.3 | |||||
| 432 | G | 26.3 | Very low | 27.8 | Very low | 65 Ų | 65 | 116.7 Ų | 116.7 | 67% | 0.67 | 83% | 0.834 | S | S | * | * | trans | -107.7 | 147.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 433 | C | 26.4 | Very low | 27.5 | Very low | 141 Ų | 141 | 119.1 Ų | 119.1 | 95% | 0.953 | 84% | 0.837 | S | S | * | * | trans | -140.7 | 114.9 | 152 | -85.9 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 434 | A | 27.8 | Very low | 27.6 | Very low | 112 Ų | 112 | 119.8 Ų | 119.8 | 93% | 0.926 | 84% | 0.84 | S | S | * | * | trans | -129.9 | 132.7 | 164.6 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 435 | G | 28.8 | Very low | 27.4 | Very low | 81 Ų | 81 | 116.4 Ų | 116.4 | 84% | 0.835 | 84% | 0.837 | S | S | * | * | trans | 172.3 | 115.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 436 | T | 28.2 | Very low | 27.6 | Very low | 143 Ų | 143 | 118.3 Ų | 118.3 | 88% | 0.877 | 84% | 0.844 | S | S | * | * | trans | -89.2 | 157.7 | -163.8 | 42.3 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 437 | A | 29.4 | Very low | 27.6 | Very low | 91 Ų | 91 | 115.8 Ų | 115.8 | 75% | 0.752 | 84% | 0.837 | S | S | * | * | trans | 83.1 | 130.2 | 147.4 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 438 | D | 26.9 | Very low | 27.7 | Very low | 152 Ų | 152 | 118.2 Ų | 118.2 | 81% | 0.813 | 84% | 0.839 | S | S | * | * | trans | 75.7 | 114.5 | 161.6 | -70.9 | -8.6 | 0 | 0 | 0 | 122.2 | ||||
| 439 | S | 29 | Very low | 27.9 | Very low | 119 Ų | 119 | 119.3 Ų | 119.3 | 83% | 0.832 | 84% | 0.837 | S | S | * | * | S | Bend | trans | 65.3 | 126.1 | 149 | 67.8 | 0 | 0 | 0 | 0 | 119.9 | ||
| 440 | G | 27.9 | Very low | 28.1 | Very low | 77 Ų | 77 | 122.9 Ų | 122.9 | 79% | 0.794 | 84% | 0.842 | S | S | * | * | trans | 86.9 | 123.3 | 159.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 441 | G | 30.2 | Very low | 28.3 | Very low | 81 Ų | 81 | 125.8 Ų | 125.8 | 84% | 0.835 | 85% | 0.848 | S | S | * | * | trans | -68.8 | 153.5 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 442 | V | 29.6 | Very low | 28.4 | Very low | 145 Ų | 145 | 125.9 Ų | 125.9 | 88% | 0.879 | 84% | 0.839 | S | S | * | * | trans | -147.7 | 132.4 | 158.6 | -179.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 443 | E | 27.9 | Very low | 28.8 | Very low | 181 Ų | 181 | 128.6 Ų | 128.6 | 85% | 0.846 | 85% | 0.845 | S | S | * | * | trans | -65.5 | 147.5 | 175.1 | -69.2 | 168.2 | 130.1 | 0 | 0 | 112.5 | ||||
| 444 | C | 27.4 | Very low | 29.3 | Very low | 137 Ų | 137 | 126 Ų | 126 | 93% | 0.926 | 83% | 0.828 | S | S | * | * | trans | -129.5 | 111 | 157.9 | -81.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 445 | S | 26.4 | Very low | 29.4 | Very low | 113 Ų | 113 | 129.1 Ų | 129.1 | 79% | 0.79 | 83% | 0.828 | S | S | * | * | trans | -96.1 | 138.5 | 172.7 | 173.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 446 | C | 28.9 | Very low | 29.5 | Very low | 132 Ų | 132 | 136.9 Ų | 136.9 | 89% | 0.892 | 83% | 0.833 | S | S | * | * | trans | -137.5 | 130 | 163 | -81.5 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 447 | G | 27.3 | Very low | 29.7 | Very low | 72 Ų | 72 | 139 Ų | 139 | 74% | 0.742 | 83% | 0.832 | S | S | * | * | trans | -84.9 | 168.7 | -154.9 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 448 | E | 31.4 | Very low | 29.8 | Very low | 192 Ų | 192 | 140.1 Ų | 140.1 | 90% | 0.897 | 83% | 0.832 | S | S | * | * | trans | -61.9 | 148.7 | 175.3 | -67.6 | -168.9 | 139.2 | 0 | 0 | 113.5 | ||||
| 449 | P | 30.2 | Very low | 30 | Very low | 123 Ų | 123 | 142.3 Ų | 142.3 | 80% | 0.799 | 84% | 0.838 | S | S | * | * | trans | -105.2 | 109.6 | 157.1 | 25.2 | -8.9 | 0 | 0 | 0 | 112 | ||||
| 450 | L | 29.9 | Very low | 30.1 | Very low | 172 Ų | 172 | 145 Ų | 145 | 90% | 0.901 | 84% | 0.842 | S | S | * | * | trans | 23.8 | 113.8 | 138.1 | -66.6 | 162.9 | 0 | 0 | 0 | 119 | ||||
| 451 | L | 28.7 | Very low | 30.5 | Very low | 174 Ų | 174 | 149.8 Ų | 149.8 | 91% | 0.911 | 84% | 0.843 | S | S | * | * | trans | -64.9 | 129.6 | 160.6 | -77.4 | 148.2 | 0 | 0 | 0 | 111.7 | ||||
| 452 | D | 28.1 | Very low | 30.9 | Very low | 140 Ų | 140 | 151.3 Ų | 151.3 | 75% | 0.749 | 84% | 0.839 | S | S | * | * | trans | -104.2 | 115.3 | 163 | -166.4 | 0.9 | 0 | 0 | 0 | 109.4 | S454 | D452-S454 PolarHBondContact O-N 2.93Š| ||
| 453 | P | 35.1 | Very low | 31 | Very low | 122 Ų | 122 | 150.5 Ų | 150.5 | 79% | 0.792 | 84% | 0.836 | S | S | * | * | trans | -91.6 | 73 | -174.3 | 35.9 | -32.5 | 0 | 0 | 0 | 111.5 | ||||
| 454 | S | 36.2 | Very low | 31.3 | Very low | 87 Ų | 87 | 148.3 Ų | 148.3 | 61% | 0.608 | 84% | 0.835 | S | S | * | * | trans | -163.2 | 93.8 | 159.9 | 53.7 | 0 | 0 | 0 | 0 | 111.4 | D452 | D452-S454 PolarHBondContact O-N 2.93Š| ||
| 455 | L | 29.2 | Very low | 31.5 | Very low | 177 Ų | 177 | 147.7 Ų | 147.7 | 93% | 0.927 | 83% | 0.831 | S | S | * | * | trans | -173.3 | 106.1 | 145 | -96.1 | 156.3 | 0 | 0 | 0 | 106.9 | E457 | L455-E457 PolarHBondContact O-N 3.12Š| ||
| 456 | R | 31.8 | Very low | 32.1 | Very low | 245 Ų | 245 | 148.2 Ų | 148.2 | 93% | 0.925 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 126.7 | 176.9 | -80 | 175.6 | 165.8 | 165 | -5.9 | 110.1 | ||
| 457 | E | 32 | Very low | 32.6 | Very low | 186 Ų | 186 | 150.6 Ų | 150.6 | 87% | 0.869 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 133.6 | 158.8 | -67.7 | -178 | 140.6 | 0 | 0 | 109.1 | L455 | L455-E457 PolarHBondContact O-N 3.12Š|
| 458 | P | 32.5 | Very low | 33.2 | Very low | 116 Ų | 116 | 152.8 Ų | 152.8 | 75% | 0.753 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 132.3 | 167.2 | 28.5 | -27.6 | 0 | 0 | 0 | 110.5 | L460 | P458-L460 PolarHBondContact O-N 2.87Š|
| 459 | E | 30.7 | Very low | 33.6 | Very low | 198 Ų | 198 | 149.6 Ų | 149.6 | 93% | 0.925 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 130.4 | 172.8 | -74.1 | 171.6 | 127.1 | 0 | 0 | 111.5 | ||
| 460 | L | 31.4 | Very low | 34.4 | Very low | 175 Ų | 175 | 147.6 Ų | 147.6 | 92% | 0.916 | 82% | 0.821 | S | S | * | * | trans | -79.8 | 113.6 | 168.6 | -94.9 | 121.3 | 0 | 0 | 0 | 109.8 | P458 | P458-L460 PolarHBondContact O-N 2.87Š| ||
| 461 | E | 35.7 | Very low | 34.7 | Very low | 178 Ų | 178 | 145.4 Ų | 145.4 | 83% | 0.832 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 147.8 | 164.4 | -75.4 | -169.2 | 154.5 | 0 | 0 | 111.4 | ||
| 462 | P | 38.7 | Very low | 35.1 | Very low | 113 Ų | 113 | 145 Ų | 145 | 73% | 0.734 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 146.4 | 178.8 | 29.4 | -33.5 | 0 | 0 | 0 | 111.6 | T464 | P462-T464 PolarHBondContact O-N 3.28Š|
| 463 | P | 32.3 | Very low | 35.5 | Very low | 127 Ų | 127 | 146.1 Ų | 146.1 | 83% | 0.825 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 122.2 | -177.7 | 27.4 | -32.4 | 0 | 0 | 0 | 111.4 | ||
| 464 | T | 33.9 | Very low | 35.7 | Very low | 135 Ų | 135 | 142.9 Ų | 142.9 | 83% | 0.828 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 128.1 | 166.4 | 40 | 0 | 0 | 0 | 0 | 110.9 | P462 | P462-T464 PolarHBondContact O-N 3.28Š|
| 465 | C | 32 | Very low | 35.8 | Very low | 124 Ų | 124 | 145.1 Ų | 145.1 | 84% | 0.838 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 134.4 | 171.4 | -64.9 | 0 | 0 | 0 | 0 | 111.4 | ||
| 466 | P | 37.4 | Very low | 36.2 | Very low | 125 Ų | 125 | 142.8 Ų | 142.8 | 81% | 0.812 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 134.6 | 165.9 | -7.3 | 23.5 | 0 | 0 | 0 | 110.5 | ||
| 467 | E | 40.5 | Very low | 36.5 | Very low | 181 Ų | 181 | 136.1 Ų | 136.1 | 85% | 0.846 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 151.7 | 169.2 | -76.7 | -177.2 | 139.9 | 0 | 0 | 112.4 | ||
| 468 | P | 40 | Very low | 36.6 | Very low | 118 Ų | 118 | 135.8 Ų | 135.8 | 77% | 0.766 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 138 | 178 | 29.3 | -32.7 | 0 | 0 | 0 | 110.8 | ||
| 469 | P | 39.8 | Very low | 36.8 | Very low | 125 Ų | 125 | 135.8 Ų | 135.8 | 81% | 0.812 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 140.4 | 173.1 | 26 | -30.7 | 0 | 0 | 0 | 111 | ||
| 470 | A | 45.7 | Very low | 36.9 | Very low | 81 Ų | 81 | 136.2 Ų | 136.2 | 67% | 0.669 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 153.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112 | I472 | A470-I472 PolarHBondContact O-N 3.41Š|
| 471 | P | 37.6 | Very low | 37 | Very low | 127 Ų | 127 | 134.3 Ų | 134.3 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 122.7 | -174.2 | 25.7 | -32.8 | 0 | 0 | 0 | 111.4 | L473 | P471-L473 PolarHBondContact O-N 3.38Š|
| 472 | I | 35.6 | Very low | 37.1 | Very low | 165 Ų | 165 | 132.2 Ų | 132.2 | 85% | 0.846 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 119.7 | 170 | -61.1 | 172.9 | 0 | 0 | 0 | 107.7 | A470 G474 | A470-I472 PolarHBondContact O-N 3.41Å; I472-G474 PolarHBondContact O-N 3.25Å |
| 473 | L | 38.2 | Very low | 37 | Very low | 163 Ų | 163 | 132.9 Ų | 132.9 | 85% | 0.853 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 118.2 | 167.5 | -127.1 | 86.6 | 0 | 0 | 0 | 108.3 | P471 | P471-L473 PolarHBondContact O-N 3.38Š|
| 474 | G | 38.3 | Very low | 37.3 | Very low | 55 Ų | 55 | 132.1 Ų | 132.1 | 57% | 0.567 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 153.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | I472 T476 | I472-G474 PolarHBondContact O-N 3.25Å; G474-T476 PolarHBondContact O-N 3.25Å |
| 475 | P | 38.8 | Very low | 37.7 | Very low | 134 Ų | 134 | 133.2 Ų | 133.2 | 87% | 0.87 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 129.3 | 175.3 | 25.4 | -31 | 0 | 0 | 0 | 109.8 | ||
| 476 | T | 37.6 | Very low | 38 | Very low | 128 Ų | 128 | 133.1 Ų | 133.1 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -49.4 | 134.9 | 168.9 | 30.7 | 0 | 0 | 0 | 0 | 111.3 | G474 E478 | G474-T476 PolarHBondContact O-N 3.25Å; T476-E478 PolarHBondContact O-N 3.24Å |
| 477 | A | 38.1 | Very low | 38.6 | Very low | 104 Ų | 104 | 129.8 Ų | 129.8 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 117.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 478 | E | 34.3 | Very low | 38.7 | Very low | 180 Ų | 180 | 127.7 Ų | 127.7 | 84% | 0.841 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 147.1 | 162.4 | -76.7 | -147.3 | 160 | 0 | 0 | 110.6 | T476 | T476-E478 PolarHBondContact O-N 3.24Š|
| 479 | P | 36.3 | Very low | 38.8 | Very low | 116 Ų | 116 | 133.8 Ų | 133.8 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 144.8 | -164.3 | 28.5 | -33.6 | 0 | 0 | 0 | 112.7 | T481 | P479-T481 PolarHBondContact O-N 3Š|
| 480 | F | 33.6 | Very low | 39.1 | Very low | 207 Ų | 207 | 132 Ų | 132 | 91% | 0.908 | 79% | 0.792 | S | S | * | * | trans | -45.1 | 118.9 | 171.6 | -75.5 | -92.8 | 0 | 0 | 0 | 111.9 | T482 | F480-T482 PolarHBondContact O-N 3.25Š| ||
| 481 | T | 33.2 | Very low | 39.3 | Very low | 135 Ų | 135 | 134.3 Ų | 134.3 | 83% | 0.828 | 80% | 0.8 | S | S | * | * | trans | -70.7 | 111.1 | 160.7 | -6.7 | 0 | 0 | 0 | 0 | 107.4 | P479 V483 | P479-T481 PolarHBondContact O-N 3Å; T481-V483 PolarHBondContact O-N 3.39Å | ||
| 482 | T | 37.2 | Very low | 39.7 | Very low | 134 Ų | 134 | 132 Ų | 132 | 82% | 0.822 | 79% | 0.792 | S | S | * | * | trans | -60.9 | 113.7 | 172.1 | 12 | 0 | 0 | 0 | 0 | 109.7 | F480 | F480-T482 PolarHBondContact O-N 3.25Š| ||
| 483 | V | 36.8 | Very low | 40.5 | Very low | 127 Ų | 127 | 127.7 Ų | 127.7 | 77% | 0.77 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 128.6 | 163.9 | 178.3 | 0 | 0 | 0 | 0 | 107.6 | T481 I485 | T481-V483 PolarHBondContact O-N 3.39Å; V483-I485 PolarHBondContact O-N 3.21Å |
| 484 | P | 38.7 | Very low | 40.6 | Very low | 111 Ų | 111 | 126.4 Ų | 126.4 | 72% | 0.721 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 130.5 | 177.5 | 26.8 | -31.1 | 0 | 0 | 0 | 110 | ||
| 485 | I | 42.2 | Very low | 40.9 | Very low | 158 Ų | 158 | 133.2 Ų | 133.2 | 81% | 0.81 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 129.2 | 170.6 | -62.5 | 171 | 0 | 0 | 0 | 108.3 | V483 G487 | V483-I485 PolarHBondContact O-N 3.21Å; I485-G487 PolarHBondContact O-N 3.2Å |
| 486 | P | 37.8 | Very low | 41 | Very low | 121 Ų | 121 | 132.8 Ų | 132.8 | 79% | 0.786 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 123.2 | 168.4 | -13.9 | 27.5 | 0 | 0 | 0 | 108.9 | ||
| 487 | G | 50.1 | Low | 41.1 | Very low | 56 Ų | 56 | 132.5 Ų | 132.5 | 58% | 0.577 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 168.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | I485 R489 | I485-G487 PolarHBondContact O-N 3.2Å; G487-R489 PolarHBondContact O-N 3.24Å |
| 488 | P | 42.1 | Very low | 41.4 | Very low | 137 Ų | 137 | 132.6 Ų | 132.6 | 89% | 0.89 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 133 | -173 | 24 | -31.8 | 0 | 0 | 0 | 111.4 | A490 | P488-A490 PolarHBondContact O-N 3.29Š|
| 489 | R | 42 | Very low | 41.6 | Very low | 245 Ų | 245 | 130.2 Ų | 130.2 | 93% | 0.925 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 129.6 | 177.4 | -77.8 | 178.7 | 175.6 | 168.3 | -1.5 | 110.4 | G487 | G487-R489 PolarHBondContact O-N 3.24Š|
| 490 | A | 48 | Very low | 41.9 | Very low | 87 Ų | 87 | 133.2 Ų | 133.2 | 72% | 0.719 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 150.8 | 162.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | P488 | P488-A490 PolarHBondContact O-N 3.29Š|
| 491 | P | 48 | Very low | 41.9 | Very low | 130 Ų | 130 | 126.7 Ų | 126.7 | 84% | 0.844 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 142 | -176.4 | 24.9 | -32.1 | 0 | 0 | 0 | 111.7 | ||
| 492 | A | 47.5 | Very low | 41.9 | Very low | 80 Ų | 80 | 129.8 Ų | 129.8 | 66% | 0.661 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 145.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 493 | P | 51.3 | Low | 41.9 | Very low | 73 Ų | 73 | 133 Ų | 133 | 47% | 0.474 | 78% | 0.779 | S | S | . | * | P | Polyproline II helix | trans | -66.5 | 156.8 | 175 | 25.1 | -31.3 | 0 | 0 | 0 | 112.5 | W495 | P493-W495 PolarHBondContact O-N 3.38Š|
| 494 | P | 41.8 | Very low | 41.8 | Very low | 136 Ų | 136 | 135.8 Ų | 135.8 | 88% | 0.883 | 78% | 0.784 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.9 | 15.2 | -153.4 | -15.1 | 29.9 | 0 | 0 | 0 | 117.5 | ||
| 495 | W | 43.6 | Very low | 41.9 | Very low | 199 Ų | 199 | 140.1 Ų | 140.1 | 75% | 0.754 | 79% | 0.794 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.3 | 16.4 | -166 | 50.7 | -93.9 | 0 | 0 | 0 | 115.2 | P493 | P493-W495 PolarHBondContact O-N 3.38Š|
| 496 | L | 41 | Very low | 41.5 | Very low | 125 Ų | 125 | 137.8 Ų | 137.8 | 65% | 0.654 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -107.7 | 127 | 171.1 | -95.5 | 137.1 | 0 | 0 | 0 | 111.2 | ||
| 497 | P | 39.8 | Very low | 42.3 | Very low | 121 Ų | 121 | 138.1 Ų | 138.1 | 79% | 0.786 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 137.1 | -179.3 | 28.8 | -30.9 | 0 | 0 | 0 | 112.4 | ||
| 498 | S | 43.3 | Very low | 41.9 | Very low | 107 Ų | 107 | 144.1 Ų | 144.1 | 75% | 0.748 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 150.4 | -179.3 | -56.2 | 0 | 0 | 0 | 0 | 113.6 | ||
| 499 | P | 39.3 | Very low | 41.9 | Very low | 130 Ų | 130 | 144.5 Ų | 144.5 | 84% | 0.844 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 127.3 | 169.5 | 22.5 | -13.3 | 0 | 0 | 0 | 111.9 | ||
| 500 | I | 42.1 | Very low | 41.9 | Very low | 178 Ų | 178 | 139.2 Ų | 139.2 | 91% | 0.913 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 139.4 | 165.3 | -61.1 | 158.6 | 0 | 0 | 0 | 106.9 | ||
| 501 | G | 34 | Very low | 41.6 | Very low | 70 Ų | 70 | 142.1 Ų | 142.1 | 72% | 0.722 | 84% | 0.837 | S | S | * | * | cis | 178.3 | 138.5 | -0.7 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 502 | E | 33.3 | Very low | 41.2 | Very low | 200 Ų | 200 | 142.8 Ų | 142.8 | 94% | 0.935 | 84% | 0.837 | S | S | * | * | trans | -107.6 | 125.6 | 166.5 | -77.3 | -177.7 | 160 | 0 | 0 | 107.1 | ||||
| 503 | E | 36.9 | Very low | 40.8 | Very low | 202 Ų | 202 | 146.7 Ų | 146.7 | 94% | 0.944 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 126.9 | 177.4 | -74.1 | 177.4 | 146.9 | 0 | 0 | 110.3 | ||
| 504 | E | 35.6 | Very low | 40.1 | Very low | 186 Ų | 186 | 151.6 Ų | 151.6 | 87% | 0.869 | 87% | 0.872 | S | S | * | * | P | Polyproline II helix | trans | -74 | 123.5 | 167.8 | -90.5 | 179.4 | 139.6 | 0 | 0 | 110.7 | ||
| 505 | E | 39.8 | Very low | 40 | Very low | 201 Ų | 201 | 152.7 Ų | 152.7 | 94% | 0.939 | 87% | 0.872 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 124.3 | 156.4 | -83 | -178.2 | 146.5 | 0 | 0 | 109.6 | ||
| 506 | S | 34.2 | Very low | 39.7 | Very low | 109 Ų | 109 | 149.2 Ų | 149.2 | 76% | 0.762 | 88% | 0.881 | S | S | * | * | P | Polyproline II helix | trans | -93.1 | 146.6 | 167.1 | -69.2 | 0 | 0 | 0 | 0 | 110.8 | ||
| 507 | P | 54.8 | Low | 39.6 | Very low | 129 Ų | 129 | 151.2 Ų | 151.2 | 84% | 0.838 | 90% | 0.9 | S | S | * | * | P | Polyproline II helix | trans | -88.7 | 136 | -174.5 | 34.4 | -31.4 | 0 | 0 | 0 | 112.3 | ||
| 508 | A | 42.5 | Very low | 39.6 | Very low | 181 Ų | 181 | 153.9 Ų | 153.9 | 100% | 1.496 | 91% | 0.91 | S | S | * | * | trans | -158.3 | 0 | 151.6 | 0 | 0 | 0 | 0 | 0 | 109.8 |
Retrieved 508 of 508 residues in 85.4 ms
(Link to these results)