| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 40.8 | Very low | 41.9 | Very low | 248 Ų | 248 | 142.9 Ų | 142.9 | 100% | 1.222 | 83% | 0.83 | S | S | * | * | 0 | 93 | 0 | -76.6 | -174.3 | -80.3 | 0 | 0 | 108.5 | |||||
| 2 | C | 41.1 | Very low | 42.8 | Very low | 132 Ų | 132 | 138.9 Ų | 138.9 | 89% | 0.892 | 81% | 0.808 | S | S | * | * | trans | -100.8 | 93.1 | 173.3 | -165.6 | 0 | 0 | 0 | 0 | 106.9 | C4 | C2-C4 PolarHBondContact O-N 3.33Š| ||
| 3 | G | 41.7 | Very low | 44.3 | Very low | 66 Ų | 66 | 134.3 Ų | 134.3 | 68% | 0.68 | 80% | 0.796 | S | S | * | * | trans | -77.4 | 107.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | V5 | G3-V5 PolarHBondContact O-N 3.03Š| ||
| 4 | C | 40.8 | Very low | 46.6 | Very low | 130 Ų | 130 | 136.4 Ų | 136.4 | 88% | 0.878 | 79% | 0.794 | S | S | * | * | trans | -64.1 | 100.2 | 163.5 | -81.5 | 0 | 0 | 0 | 0 | 108.8 | C2 G6 | C2-C4 PolarHBondContact O-N 3.33Å; C4-G6 VanDerWaalsContact C-N 3.28Å; C4-G6 PolarHBondContact O-N 3.01Å | ||
| 5 | V | 40.9 | Very low | 49 | Very low | 135 Ų | 135 | 127.5 Ų | 127.5 | 82% | 0.818 | 74% | 0.742 | S | S | * | * | trans | -74.4 | 90 | 165.3 | -175.1 | 0 | 0 | 0 | 0 | 106.8 | G3 R7 | G3-V5 PolarHBondContact O-N 3.03Å; V5-R7 PolarHBondContact O-N 3.03Å | ||
| 6 | G | 40.5 | Very low | 51.5 | Low | 62 Ų | 62 | 122.7 Ų | 122.7 | 64% | 0.639 | 72% | 0.718 | S | S | * | * | trans | -60 | 116.6 | 167.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | C4 L8 | C4-G6 VanDerWaalsContact C-N 3.28Å; C4-G6 PolarHBondContact O-N 3.01Å; G6-L8 PolarHBondContact O-N 3.2Å | ||
| 7 | R | 40.4 | Very low | 54 | Low | 241 Ų | 241 | 116.1 Ų | 116.1 | 91% | 0.909 | 68% | 0.679 | S | S | * | * | trans | -62.4 | 108.6 | 165.3 | -70.7 | -177.6 | -166 | -137.5 | 1.8 | 106.6 | V5 S9 | V5-R7 PolarHBondContact O-N 3.03Å; R7-S9 PolarHBondContact O-N 2.82Å | ||
| 8 | L | 40.5 | Very low | 56.2 | Low | 175 Ų | 175 | 114.6 Ų | 114.6 | 92% | 0.916 | 67% | 0.666 | S | S | * | * | trans | -61.5 | 88.7 | 160.6 | -79.7 | 155.1 | 0 | 0 | 0 | 106.8 | G6 S10 | G6-L8 PolarHBondContact O-N 3.2Å; L8-S10 PolarHBondContact O-N 2.89Å; L8-S10 VanDerWaalsContact O-N 3.08Å | ||
| 9 | S | 41.8 | Very low | 58.3 | Low | 91 Ų | 91 | 113.8 Ų | 113.8 | 64% | 0.636 | 66% | 0.655 | S | S | * | * | trans | -58.2 | 110.1 | 156 | 173.5 | 0 | 0 | 0 | 0 | 105.2 | R7 F11 | R7-S9 PolarHBondContact O-N 2.82Å; S9-F11 VanDerWaalsContact C-N 3.32Å; S9-F11 PolarHBondContact O-N 3.08Å | ||
| 10 | S | 44.8 | Very low | 60.3 | Low | 97 Ų | 97 | 108.8 Ų | 108.8 | 68% | 0.678 | 63% | 0.626 | S | S | * | * | trans | -60 | 101.4 | 168.7 | 54.7 | 0 | 0 | 0 | 0 | 106.7 | L8 V12 | L8-S10 PolarHBondContact O-N 2.89Å; L8-S10 VanDerWaalsContact O-N 3.08Å; S10-V12 PolarHBondContact O-N 3.06Å | ||
| 11 | F | 47.4 | Very low | 62.1 | Low | 195 Ų | 195 | 107.1 Ų | 107.1 | 86% | 0.855 | 61% | 0.612 | S | S | * | * | trans | -60.1 | 90.8 | 160.3 | -89.4 | -93.1 | 0 | 0 | 0 | 106.2 | S9 A13 | S9-F11 VanDerWaalsContact C-N 3.32Å; S9-F11 PolarHBondContact O-N 3.08Å; F11-A13 VanDerWaalsContact C-N 3.34Å; F11-A13 PolarHBondContact O-N 2.82Å | ||
| 12 | V | 53.3 | Low | 64.9 | Low | 95 Ų | 95 | 95.4 Ų | 95.4 | 58% | 0.576 | 56% | 0.555 | S | S | * | * | trans | -66.5 | 106.7 | 160.8 | -176.2 | 0 | 0 | 0 | 0 | 103.6 | S10 E14 | S10-V12 PolarHBondContact O-N 3.06Å; V12-E14 PolarHBondContact O-N 3.2Å | ||
| 13 | A | 61.7 | Low | 67.6 | Low | 79 Ų | 79 | 92.7 Ų | 92.7 | 65% | 0.653 | 53% | 0.526 | S | S | * | . | trans | -55.7 | 125.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 109 | F11 M15 H139 | F11-A13 VanDerWaalsContact C-N 3.34Å; F11-A13 PolarHBondContact O-N 2.82Å; A13-M15 PolarHBondContact O-N 3.35Å; A13-H139 PolarHBondContact O-CE1 2.66Å | ||
| 14 | E | 76.9 | Confident | 70.3 | Confident | 163 Ų | 163 | 91.9 Ų | 91.9 | 76% | 0.762 | 50% | 0.504 | S | S | * | . | trans | -49 | 126.4 | 170.9 | -81.3 | 178.4 | -172.8 | 0 | 0 | 109.7 | V12 E97 | V12-E14 PolarHBondContact O-N 3.2Å; E14-E97 VanDerWaalsContact C-OE2 3.31Å; E14-E97 VanDerWaalsContact CA-OE2 3.23Å; E14-E97 WeakPolarHBondContact CA-OE2 3.31Å; E14-E97 VanDerWaalsContact CB-OE1 3.31Å; E14-E97 WeakPolarHBondContact CB-OE1 3.23Å; E14-E97 HydrophobicContact CG-CG 4.32Å | ||
| 15 | M | 83 | Confident | 73.1 | Confident | 3 Ų | 3 | 87.5 Ų | 87.5 | 2% | 0.015 | 47% | 0.472 | C | S | . | . | trans | -111.4 | 88.6 | 177.3 | -167 | 170.7 | 87.3 | 0 | 0 | 110.1 | A13 T40 R42 F45 E97 V98 A135 H139 | A13-M15 PolarHBondContact O-N 3.35Å; M15-T40 HydrophobicContact CE-CG2 3.86Å; M15-T40 VanDerWaalsContact CG-CB 3.44Å; M15-T40 HydrophobicContact CG-CG2 3.89Å; M15-T40 WeakPolarHBondContact CG-OG1 3.47Å; M15-T40 HydrophobicContact SD-CG2 4.17Å; M15-T40 PolarHBondContact SD-OG1 2.99Å; M15-R42 HydrophobicContact SD-CB 3.74Å; M15-R42 HydrophobicContact SD-CG 3.57Å; M15-R42 VanDerWaalsContact SD-CG 3.57Å; M15-F45 HydrophobicContact CE-CE2 4.3Å; M15-F45 HydrophobicContact CE-CZ 4.37Å; M15-E97 PolarHBondContact N-OE1 3.34Å; M15-E97 PolarHBondContact N-OE2 3.35Å; M15-V98 HydrophobicContact CB-CG2 4.49Å; M15-V98 HydrophobicContact CE-CG2 3.37Å; M15-V98 PolarHBondContact O-N 3.35Å; M15-A135 HydrophobicContact CE-CB 4.23Å; M15-A135 WeakPolarHBondContact CE-O 3.48Å; M15-H139 WeakPolarHBondContact CB-ND1 3.17Å; M15-H139 HydrophobicContact CE-CB 3.58Å; M15-H139 HydrophobicContact SD-CB 4.34Å | ||
| 16 | S | 88.6 | Confident | 75.8 | Confident | 51 Ų | 51 | 87.4 Ų | 87.4 | 36% | 0.357 | 46% | 0.458 | S | S | . | . | B | Isolated β-bridge | trans | -74.1 | 159.3 | 173 | 66.7 | 0 | 0 | 0 | 0 | 112.9 | M18 E97 | S16-M18 PolarHBondContact O-N 3.38Å; S16-E97 PolarHBondContact N-OE1 3.24Å |
| 17 | I | 93.6 | Very high | 78.6 | Confident | 10 Ų | 10 | 84.9 Ų | 84.9 | 5% | 0.051 | 43% | 0.43 | C | S | . | . | trans | -69.9 | 110.5 | 167.6 | -58.2 | 172.4 | 0 | 0 | 0 | 109.6 | L20 L38 L91 V98 I104 V132 | I17-L20 HydrophobicContact CG2-CD1 3.87Å; I17-L20 HydrophobicContact CG2-CG 3.73Å; I17-L38 HydrophobicContact CD1-CD1 4.36Å; I17-L38 HydrophobicContact CG1-CD1 4.22Å; I17-L38 HydrophobicContact CG1-CD2 4.49Å; I17-L38 HydrophobicContact CG1-CG 4.5Å; I17-L38 HydrophobicContact CG2-CG 4.27Å; I17-L91 HydrophobicContact CD1-CB 4.31Å; I17-L91 HydrophobicContact CD1-CD1 4.22Å; I17-V98 HydrophobicContact CG1-CG1 3.74Å; I17-I104 HydrophobicContact CD1-CD1 4.26Å; I17-V132 HydrophobicContact CD1-CG2 4.31Å | ||
| 18 | M | 93.9 | Very high | 81.3 | Confident | 90 Ų | 90 | 75 Ų | 75 | 44% | 0.443 | 40% | 0.398 | S | S | . | . | trans | -82.9 | -40.8 | 179.8 | -64.8 | 178.1 | 67 | 0 | 0 | 112.4 | S16 K39 S41 K92 | S16-M18 PolarHBondContact O-N 3.38Å; M18-K39 WeakPolarHBondContact CB-O 3.37Å; M18-K39 PolarHBondContact N-O 3.15Å; M18-S41 PolarHBondContact SD-N 2.91Å; M18-S41 VanDerWaalsContact SD-N 3.38Å; M18-K92 PolarHBondContact O-NZ 3.48Å | ||
| 19 | E | 96.2 | Very high | 83.9 | Confident | 99 Ų | 99 | 69.7 Ų | 69.7 | 46% | 0.463 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 144.1 | -176.5 | -169.2 | -179 | 167.2 | 0 | 0 | 109.4 | K39 | E19-K39 HydrophobicContact CB-CB 3.94Å; E19-K39 HydrophobicContact CB-CD 4.28Å; E19-K39 PolarHBondContact N-O 3.25Å; E19-K39 PolarHBondContact O-N 3.32Å; E19-K39 IonicContact OE2-NZ 2.69Å |
| 20 | L | 97.9 | Very high | 86.5 | Confident | 14 Ų | 14 | 67.6 Ų | 67.6 | 7% | 0.073 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 128.5 | 169.3 | -84.8 | 165.9 | 0 | 0 | 0 | 106.9 | I17 V36 D37 L38 A88 L91 V128 | I17-L20 HydrophobicContact CG2-CD1 3.87Å; I17-L20 HydrophobicContact CG2-CG 3.73Å; L20-V36 HydrophobicContact CD2-CG1 3.81Å; L20-D37 WeakPolarHBondContact CA-O 3.11Å; L20-L38 HydrophobicContact CD2-CB 3.7Å; L20-L38 HydrophobicContact CD2-CD1 4.05Å; L20-L38 HydrophobicContact CD2-CG 3.78Å; L20-L38 HydrophobicContact CG-CG 4.46Å; L20-A88 HydrophobicContact CB-CB 3.58Å; L20-A88 HydrophobicContact CD1-CB 4.33Å; L20-L91 HydrophobicContact CD1-CB 4.4Å; L20-L91 HydrophobicContact CD1-CD1 3.68Å; L20-V128 HydrophobicContact CD1-CG1 4.09Å; L20-V128 HydrophobicContact CD2-CG1 4.26Å |
| 21 | H | 98.5 | Very high | 89 | Confident | 74 Ų | 74 | 65.1 Ų | 65.1 | 34% | 0.343 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 121.3 | 177.7 | 173.5 | 85.7 | 0 | 0 | 0 | 109.5 | R23 D37 | H21-R23 PolarHBondContact CD2-NH2 3.19Å; H21-R23 PolarHBondContact NE2-NE 3.16Å; H21-D37 PolarHBondContact N-O 2.94Å; H21-D37 PolarHBondContact O-N 3.42Å |
| 22 | A | 98.8 | Very high | 91.5 | Very high | 2 Ų | 2 | 55.9 Ų | 55.9 | 2% | 0.017 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 149.4 | 174 | 0 | 0 | 0 | 0 | 0 | 111.6 | E35 V36 V80 I83 N84 | A22-E35 CarbonylContact C-O 3.44Å; A22-E35 WeakPolarHBondContact CA-O 3.43Å; A22-V36 HydrophobicContact CB-CG2 4.18Å; A22-V80 HydrophobicContact CB-CG1 4.12Å; A22-V80 WeakPolarHBondContact O-CG1 3.39Å; A22-I83 HydrophobicContact CB-CB 3.62Å; A22-I83 HydrophobicContact CB-CD1 3.6Å; A22-I83 HydrophobicContact CB-CG1 4.22Å; A22-I83 HydrophobicContact CB-CG2 3.6Å; A22-N84 PolarHBondContact N-OD1 2.91Å; A22-N84 PolarHBondContact O-ND2 3.15Å |
| 23 | R | 98.8 | Very high | 93.6 | Very high | 75 Ų | 75 | 51.3 Ų | 51.3 | 28% | 0.283 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 163.6 | 175 | 65.6 | -174.5 | 69.1 | 116.1 | -0.4 | 111.5 | H21 I25 E35 D37 R46 | H21-R23 PolarHBondContact CD2-NH2 3.19Å; H21-R23 PolarHBondContact NE2-NE 3.16Å; R23-I25 HydrophobicContact CG-CG2 4.12Å; R23-E35 WeakPolarHBondContact CD-OE2 3.48Å; R23-E35 HydrophobicContact CG-CB 4.04Å; R23-E35 IonicContact CZ-OE2 3.84Å; R23-E35 PolarHBondContact N-O 3.43Å; R23-E35 IonicContact NE-OE2 2.78Å; R23-E35 IonicContact NH1-OE2 3.26Å; R23-E35 PolarHBondContact NH1-OE2 3.11Å; R23-E35 PolarHBondContact O-N 3.21Å; R23-D37 IonicContact CZ-OD2 3.83Å; R23-D37 VanDerWaalsContact CZ-OD2 3.22Å; R23-D37 IonicContact NH1-OD2 3.27Å; R23-D37 PolarHBondContact NH1-OD2 3.08Å; R23-D37 IonicContact NH2-OD2 2.78Å; R23-D37 PolarHBondContact NH2-OD2 3.25Å; R23-R46 VanDerWaalsContact NH1-CZ 3.26Å |
| 24 | Q | 98.7 | Very high | 95.4 | Very high | 48 Ų | 48 | 47.6 Ų | 47.6 | 22% | 0.224 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 127 | 170.3 | -179.2 | 172 | -80.6 | 0 | 0 | 109.6 | P32 T33 H71 V76 L77 | Q24-P32 HydrophobicContact CG-CB 3.76Å; Q24-T33 CarbonylContact C-O 3.54Å; Q24-T33 WeakPolarHBondContact CA-O 3.36Å; Q24-H71 PolarHBondContact NE2-NE2 3.29Å; Q24-V76 HydrophobicContact CB-CG2 4.07Å; Q24-V76 HydrophobicContact CG-CG2 3.72Å; Q24-L77 HydrophobicContact CB-CD2 4.09Å |
| 25 | I | 98.6 | Very high | 96.4 | Very high | 38 Ų | 38 | 41 Ų | 41 | 20% | 0.195 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | -164.9 | 169.3 | 64.6 | 158.8 | 0 | 0 | 0 | 109.2 | R23 P32 T33 E35 A48 | R23-I25 HydrophobicContact CG-CG2 4.12Å; I25-P32 CarbonylContact O-C 3.5Å; I25-P32 WeakPolarHBondContact O-CA 3.46Å; I25-T33 HydrophobicContact CD1-CG2 4.11Å; I25-T33 HydrophobicContact CG1-CG2 3.71Å; I25-T33 PolarHBondContact N-O 2.65Å; I25-T33 PolarHBondContact O-N 3.39Å; I25-E35 HydrophobicContact CD1-CB 3.97Å; I25-E35 HydrophobicContact CG1-CB 3.98Å; I25-E35 HydrophobicContact CG2-CB 3.81Å; I25-A48 HydrophobicContact CD1-CB 3.85Å |
| 26 | Y | 98.3 | Very high | 97.2 | Very high | 134 Ų | 134 | 40.8 Ų | 40.8 | 53% | 0.525 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 146 | 176.9 | -64.3 | -87.3 | 0 | 0 | 0 | 112 | G30 N31 P32 H71 | Y26-G30 WeakPolarHBondContact CD1-O 3.38Å; Y26-N31 CarbonylContact C-O 3.53Å; Y26-N31 VanDerWaalsContact CA-O 3.31Å; Y26-N31 WeakPolarHBondContact CA-O 3.35Å; Y26-P32 HydrophobicContact CE1-CG 4.31Å; Y26-H71 PolarHBondContact OH-CE1 3.17Å |
| 27 | D | 98 | Very high | 97.7 | Very high | 9 Ų | 9 | 39 Ų | 39 | 5% | 0.048 | 19% | 0.193 | C | C | . | . | trans | -86.1 | 176.3 | 169 | 76.9 | 8.2 | 0 | 0 | 0 | 111.6 | R29 G30 N31 T33 G393 E394 | D27-R29 PolarHBondContact O-N 3.33Å; D27-R29 WeakPolarHBondContact OD1-CA 3.43Å; D27-R29 WeakPolarHBondContact OD1-CB 3.47Å; D27-R29 PolarHBondContact OD1-N 3.3Å; D27-R29 IonicContact OD2-CZ 3.38Å; D27-R29 IonicContact OD2-NE 3.53Å; D27-R29 PolarHBondContact OD2-NE 2.9Å; D27-R29 IonicContact OD2-NH2 3.58Å; D27-R29 PolarHBondContact OD2-NH2 3.03Å; D27-G30 PolarHBondContact O-N 3.04Å; D27-G30 PolarHBondContact OD1-N 3.35Å; D27-N31 PolarHBondContact N-O 3.28Å; D27-N31 PolarHBondContact OD1-N 3.33Å; D27-T33 HydrophobicContact CB-CG2 4.22Å; D27-G393 VanDerWaalsContact OD2-CA 3.31Å; D27-G393 WeakPolarHBondContact OD2-CA 3.43Å; D27-E394 CarbonylContact C-O 3.53Å; D27-E394 WeakPolarHBondContact CA-O 2.98Å | ||
| 28 | S | 97.4 | Very high | 97.9 | Very high | 34 Ų | 34 | 38.6 Ų | 38.6 | 24% | 0.238 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -13.5 | -179.1 | 61.8 | 0 | 0 | 0 | 0 | 114.9 | S392 E394 E421 | S28-S392 PolarHBondContact OG-O 3.46Å; S28-E394 WeakPolarHBondContact CB-O 3.47Å; S28-E394 PolarHBondContact N-O 3.05Å; S28-E394 PolarHBondContact OG-N 3.12Å; S28-E421 WeakPolarHBondContact CA-OE1 3.21Å; S28-E421 WeakPolarHBondContact CB-OE1 3.27Å |
| 29 | R | 95.9 | Very high | 98.1 | Very high | 62 Ų | 62 | 38.4 Ų | 38.4 | 23% | 0.234 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | 3.5 | 176.1 | -58.6 | 171.7 | -59.6 | 174.6 | -3.2 | 111.7 | D27 N31 S51 G52 A53 D223 | D27-R29 PolarHBondContact O-N 3.33Å; D27-R29 WeakPolarHBondContact OD1-CA 3.43Å; D27-R29 WeakPolarHBondContact OD1-CB 3.47Å; D27-R29 PolarHBondContact OD1-N 3.3Å; D27-R29 IonicContact OD2-CZ 3.38Å; D27-R29 IonicContact OD2-NE 3.53Å; D27-R29 PolarHBondContact OD2-NE 2.9Å; D27-R29 IonicContact OD2-NH2 3.58Å; D27-R29 PolarHBondContact OD2-NH2 3.03Å; R29-N31 VanDerWaalsContact C-N 3.25Å; R29-N31 PolarHBondContact O-N 2.86Å; R29-S51 PolarHBondContact NH2-OG 2.99Å; R29-G52 VanDerWaalsContact NH1-C 3.32Å; R29-G52 PolarHBondContact NH1-O 2.8Å; R29-G52 PolarHBondContact NH2-O 3.36Å; R29-A53 VanDerWaalsContact NH1-CA 3.28Å; R29-D223 WeakPolarHBondContact CD-OD2 3.34Å |
| 30 | G | 96.6 | Very high | 98.1 | Very high | 48 Ų | 48 | 34 Ų | 34 | 50% | 0.495 | 17% | 0.167 | S | C | . | . | S | Bend | trans | 73 | 16.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y26 D27 | Y26-G30 WeakPolarHBondContact CD1-O 3.38Å; D27-G30 PolarHBondContact O-N 3.04Å; D27-G30 PolarHBondContact OD1-N 3.35Å |
| 31 | N | 97.8 | Very high | 98 | Very high | 44 Ų | 44 | 37.8 Ų | 37.8 | 24% | 0.235 | 20% | 0.195 | C | C | . | . | trans | -88.4 | 146.4 | 173.3 | -67.5 | -58.5 | 0 | 0 | 0 | 110.1 | Y26 D27 R29 | Y26-N31 CarbonylContact C-O 3.53Å; Y26-N31 VanDerWaalsContact CA-O 3.31Å; Y26-N31 WeakPolarHBondContact CA-O 3.35Å; D27-N31 PolarHBondContact N-O 3.28Å; D27-N31 PolarHBondContact OD1-N 3.33Å; R29-N31 VanDerWaalsContact C-N 3.25Å; R29-N31 PolarHBondContact O-N 2.86Å | ||
| 32 | P | 98.4 | Very high | 97.9 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.006 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.4 | 145.6 | 173.8 | -26.9 | 35.6 | 0 | 0 | 0 | 113.1 | Q24 I25 Y26 R64 H71 V76 | Q24-P32 HydrophobicContact CG-CB 3.76Å; I25-P32 CarbonylContact O-C 3.5Å; I25-P32 WeakPolarHBondContact O-CA 3.46Å; Y26-P32 HydrophobicContact CE1-CG 4.31Å; P32-R64 PolarHBondContact O-NH1 3.45Å; P32-H71 HydrophobicContact CG-CB 3.69Å; P32-H71 VanDerWaalsContact CG-CG 3.4Å; P32-H71 WeakPolarHBondContact CG-ND1 3.36Å; P32-V76 HydrophobicContact CB-CG2 4.3Å |
| 33 | T | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 175 | 169.4 | -164.8 | 0 | 0 | 0 | 0 | 111.5 | Q24 I25 D27 V49 V76 T395 | Q24-T33 CarbonylContact C-O 3.54Å; Q24-T33 WeakPolarHBondContact CA-O 3.36Å; I25-T33 HydrophobicContact CD1-CG2 4.11Å; I25-T33 HydrophobicContact CG1-CG2 3.71Å; I25-T33 PolarHBondContact N-O 2.65Å; I25-T33 PolarHBondContact O-N 3.39Å; D27-T33 HydrophobicContact CB-CG2 4.22Å; T33-V49 WeakPolarHBondContact CG2-O 3.38Å; T33-V49 PolarHBondContact OG1-O 2.68Å; T33-V76 WeakPolarHBondContact O-CG2 3.38Å; T33-T395 HydrophobicContact CG2-CG2 3.95Å |
| 34 | V | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 133.9 | -174.3 | 178.3 | 0 | 0 | 0 | 0 | 110.8 | V36 A48 V49 V76 A79 V80 I83 N123 | V34-V36 HydrophobicContact CG1-CG2 3.99Å; V34-A48 WeakPolarHBondContact O-CA 3.43Å; V34-V49 HydrophobicContact CB-CB 4.49Å; V34-V49 HydrophobicContact CB-CG2 4.46Å; V34-V49 PolarHBondContact O-N 3.35Å; V34-V76 HydrophobicContact CG2-CB 3.98Å; V34-V76 HydrophobicContact CG2-CG2 3.94Å; V34-A79 HydrophobicContact CG2-CB 3.98Å; V34-V80 HydrophobicContact CG2-CG2 4.33Å; V34-I83 HydrophobicContact CG1-CD1 3.55Å; V34-N123 HydrophobicContact CG2-CB 4.4Å |
| 35 | E | 98.8 | Very high | 97.7 | Very high | 24 Ų | 24 | 41.6 Ų | 41.6 | 11% | 0.112 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 139.4 | 164 | -179 | -177.8 | -95.7 | 0 | 0 | 109.3 | A22 R23 I25 R46 A47 A48 | A22-E35 CarbonylContact C-O 3.44Å; A22-E35 WeakPolarHBondContact CA-O 3.43Å; R23-E35 WeakPolarHBondContact CD-OE2 3.48Å; R23-E35 HydrophobicContact CG-CB 4.04Å; R23-E35 IonicContact CZ-OE2 3.84Å; R23-E35 PolarHBondContact N-O 3.43Å; R23-E35 IonicContact NE-OE2 2.78Å; R23-E35 IonicContact NH1-OE2 3.26Å; R23-E35 PolarHBondContact NH1-OE2 3.11Å; R23-E35 PolarHBondContact O-N 3.21Å; I25-E35 HydrophobicContact CD1-CB 3.97Å; I25-E35 HydrophobicContact CG1-CB 3.98Å; I25-E35 HydrophobicContact CG2-CB 3.81Å; E35-R46 HydrophobicContact CG-CG 3.74Å; E35-R46 VanDerWaalsContact OE1-CD 3.26Å; E35-R46 WeakPolarHBondContact OE1-CD 3.22Å; E35-R46 IonicContact OE1-NE 3.22Å; E35-R46 IonicContact OE2-CZ 3.32Å; E35-R46 IonicContact OE2-NE 2.9Å; E35-R46 PolarHBondContact OE2-NE 3.46Å; E35-R46 IonicContact OE2-NH1 3.56Å; E35-A47 CarbonylContact C-O 3.52Å; E35-A47 WeakPolarHBondContact CA-O 3.39Å; E35-A48 HydrophobicContact CB-CB 4.47Å |
| 36 | V | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 127.2 | 178.7 | -178.6 | 0 | 0 | 0 | 0 | 109.9 | L20 A22 V34 R46 A47 I83 V128 A131 | L20-V36 HydrophobicContact CD2-CG1 3.81Å; A22-V36 HydrophobicContact CB-CG2 4.18Å; V34-V36 HydrophobicContact CG1-CG2 3.99Å; V36-R46 CarbonylContact O-C 3.57Å; V36-R46 VanDerWaalsContact O-CA 3.3Å; V36-R46 WeakPolarHBondContact O-CA 3.44Å; V36-A47 PolarHBondContact N-O 3.48Å; V36-A47 PolarHBondContact O-N 2.93Å; V36-I83 HydrophobicContact CG2-CD1 3.68Å; V36-V128 HydrophobicContact CG1-CG2 4.16Å; V36-V128 HydrophobicContact CG2-CG2 4.38Å; V36-A131 HydrophobicContact CG1-CB 4.28Å |
| 37 | D | 98.8 | Very high | 97.7 | Very high | 14 Ų | 14 | 39 Ų | 39 | 8% | 0.075 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 121.1 | 164.5 | -80.5 | -26.4 | 0 | 0 | 0 | 109.5 | L20 H21 R23 I44 R46 | L20-D37 WeakPolarHBondContact CA-O 3.11Å; H21-D37 PolarHBondContact N-O 2.94Å; H21-D37 PolarHBondContact O-N 3.42Å; R23-D37 IonicContact CZ-OD2 3.83Å; R23-D37 VanDerWaalsContact CZ-OD2 3.22Å; R23-D37 IonicContact NH1-OD2 3.27Å; R23-D37 PolarHBondContact NH1-OD2 3.08Å; R23-D37 IonicContact NH2-OD2 2.78Å; R23-D37 PolarHBondContact NH2-OD2 3.25Å; D37-I44 HydrophobicContact CB-CG2 3.77Å; D37-I44 WeakPolarHBondContact OD1-CG2 3.43Å; D37-R46 WeakPolarHBondContact OD1-CB 3.43Å; D37-R46 IonicContact OD1-CZ 2.93Å; D37-R46 IonicContact OD1-NE 2.74Å; D37-R46 PolarHBondContact OD1-NE 3.28Å; D37-R46 IonicContact OD1-NH2 3.42Å; D37-R46 PolarHBondContact OD1-NH2 3.04Å; D37-R46 IonicContact OD2-CZ 2.89Å; D37-R46 IonicContact OD2-NE 3.25Å; D37-R46 IonicContact OD2-NH2 2.79Å; D37-R46 PolarHBondContact OD2-NH2 3.49Å |
| 38 | L | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 121.2 | 168.7 | -172.7 | 164.5 | 0 | 0 | 0 | 108.8 | I17 L20 T40 I44 F45 V98 A131 V132 A135 | I17-L38 HydrophobicContact CD1-CD1 4.36Å; I17-L38 HydrophobicContact CG1-CD1 4.22Å; I17-L38 HydrophobicContact CG1-CD2 4.49Å; I17-L38 HydrophobicContact CG1-CG 4.5Å; I17-L38 HydrophobicContact CG2-CG 4.27Å; L20-L38 HydrophobicContact CD2-CB 3.7Å; L20-L38 HydrophobicContact CD2-CD1 4.05Å; L20-L38 HydrophobicContact CD2-CG 3.78Å; L20-L38 HydrophobicContact CG-CG 4.46Å; L38-T40 HydrophobicContact CD2-CG2 3.36Å; L38-I44 CarbonylContact O-C 3.57Å; L38-I44 WeakPolarHBondContact O-CA 3.46Å; L38-F45 HydrophobicContact CB-CB 4.49Å; L38-F45 HydrophobicContact CD2-CD2 4.11Å; L38-F45 PolarHBondContact N-O 3.31Å; L38-F45 WeakPolarHBondContact O-CD2 3.31Å; L38-F45 PolarHBondContact O-N 2.92Å; L38-V98 HydrophobicContact CD2-CG1 4.16Å; L38-A131 HydrophobicContact CB-CB 3.77Å; L38-A131 HydrophobicContact CD1-CB 4.34Å; L38-V132 HydrophobicContact CD1-CB 4.17Å; L38-V132 HydrophobicContact CD1-CG2 3.46Å; L38-V132 VanDerWaalsContact CD1-CG2 3.46Å; L38-A135 HydrophobicContact CD1-CB 4.47Å; L38-A135 HydrophobicContact CD2-CB 3.91Å |
| 39 | K | 97.9 | Very high | 97.8 | Very high | 86 Ų | 86 | 37.2 Ų | 37.2 | 37% | 0.374 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 135 | 178.4 | -172 | 177.2 | 175.4 | 179.7 | 0 | 111.4 | M18 E19 G43 I44 | M18-K39 WeakPolarHBondContact CB-O 3.37Å; M18-K39 PolarHBondContact N-O 3.15Å; E19-K39 HydrophobicContact CB-CB 3.94Å; E19-K39 HydrophobicContact CB-CD 4.28Å; E19-K39 PolarHBondContact N-O 3.25Å; E19-K39 PolarHBondContact O-N 3.32Å; E19-K39 IonicContact OE2-NZ 2.69Å; K39-G43 WeakPolarHBondContact CA-O 3.49Å; K39-I44 HydrophobicContact CB-CG1 4.42Å; K39-I44 HydrophobicContact CG-CG1 4.21Å |
| 40 | T | 96.2 | Very high | 97.9 | Very high | 6 Ų | 6 | 34.7 Ų | 34.7 | 4% | 0.037 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | -177.1 | 168.6 | 80.5 | 0 | 0 | 0 | 0 | 110.6 | M15 L38 R42 G43 F45 V98 A135 | M15-T40 HydrophobicContact CE-CG2 3.86Å; M15-T40 VanDerWaalsContact CG-CB 3.44Å; M15-T40 HydrophobicContact CG-CG2 3.89Å; M15-T40 WeakPolarHBondContact CG-OG1 3.47Å; M15-T40 HydrophobicContact SD-CG2 4.17Å; M15-T40 PolarHBondContact SD-OG1 2.99Å; L38-T40 HydrophobicContact CD2-CG2 3.36Å; T40-R42 PolarHBondContact O-N 3.18Å; T40-R42 VanDerWaalsContact O-N 3.15Å; T40-R42 PolarHBondContact OG1-N 2.99Å; T40-R42 VanDerWaalsContact OG1-N 3.08Å; T40-G43 PolarHBondContact N-O 3.36Å; T40-G43 PolarHBondContact O-N 3.19Å; T40-F45 HydrophobicContact CG2-CD2 4.22Å; T40-F45 HydrophobicContact CG2-CE2 3.85Å; T40-F45 WeakPolarHBondContact OG1-CE2 3.32Å; T40-V98 HydrophobicContact CG2-CG1 4.01Å; T40-A135 HydrophobicContact CG2-CB 4.41Å |
| 41 | S | 95.4 | Very high | 97.9 | Very high | 94 Ų | 94 | 32.5 Ų | 32.5 | 66% | 0.657 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -16.4 | 172.5 | 55.8 | 0 | 0 | 0 | 0 | 113.9 | M18 | M18-S41 PolarHBondContact SD-N 2.91Å; M18-S41 VanDerWaalsContact SD-N 3.38Å |
| 42 | R | 95.3 | Very high | 97.6 | Very high | 120 Ų | 120 | 30.8 Ų | 30.8 | 45% | 0.453 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | -1.6 | -178.4 | -65.9 | -169.5 | 65.7 | 178.3 | -7.9 | 114.7 | M15 T40 F45 V138 H139 N141 | M15-R42 HydrophobicContact SD-CB 3.74Å; M15-R42 HydrophobicContact SD-CG 3.57Å; M15-R42 VanDerWaalsContact SD-CG 3.57Å; T40-R42 PolarHBondContact O-N 3.18Å; T40-R42 VanDerWaalsContact O-N 3.15Å; T40-R42 PolarHBondContact OG1-N 2.99Å; T40-R42 VanDerWaalsContact OG1-N 3.08Å; R42-F45 HydrophobicContact CB-CZ 4.43Å; R42-V138 HydrophobicContact CB-CG1 4.34Å; R42-V138 PolarHBondContact NH1-O 3.02Å; R42-V138 PolarHBondContact NH2-O 3.24Å; R42-H139 PolarHBondContact NH1-O 3.45Å; R42-N141 PolarHBondContact NH2-OD1 3.04Å |
| 43 | G | 96.7 | Very high | 97.1 | Very high | 32 Ų | 32 | 32.9 Ų | 32.9 | 33% | 0.33 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 137.4 | -160.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | K39 T40 | K39-G43 WeakPolarHBondContact CA-O 3.49Å; T40-G43 PolarHBondContact N-O 3.36Å; T40-G43 PolarHBondContact O-N 3.19Å |
| 44 | I | 98.1 | Very high | 96.2 | Very high | 106 Ų | 106 | 33.5 Ų | 33.5 | 54% | 0.544 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 129.5 | 179.7 | -61.4 | 171.4 | 0 | 0 | 0 | 108.4 | D37 L38 K39 | D37-I44 HydrophobicContact CB-CG2 3.77Å; D37-I44 WeakPolarHBondContact OD1-CG2 3.43Å; L38-I44 CarbonylContact O-C 3.57Å; L38-I44 WeakPolarHBondContact O-CA 3.46Å; K39-I44 HydrophobicContact CB-CG1 4.42Å; K39-I44 HydrophobicContact CG-CG1 4.21Å |
| 45 | F | 98.4 | Very high | 95.6 | Very high | 21 Ų | 21 | 36.9 Ų | 36.9 | 9% | 0.092 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 112.3 | 179.4 | -52.6 | -81 | 0 | 0 | 0 | 108.5 | M15 L38 T40 R42 K134 A135 V138 | M15-F45 HydrophobicContact CE-CE2 4.3Å; M15-F45 HydrophobicContact CE-CZ 4.37Å; L38-F45 HydrophobicContact CB-CB 4.49Å; L38-F45 HydrophobicContact CD2-CD2 4.11Å; L38-F45 PolarHBondContact N-O 3.31Å; L38-F45 WeakPolarHBondContact O-CD2 3.31Å; L38-F45 PolarHBondContact O-N 2.92Å; T40-F45 HydrophobicContact CG2-CD2 4.22Å; T40-F45 HydrophobicContact CG2-CE2 3.85Å; T40-F45 WeakPolarHBondContact OG1-CE2 3.32Å; R42-F45 HydrophobicContact CB-CZ 4.43Å; F45-K134 HydrophobicContact CB-CB 4.12Å; F45-K134 HydrophobicContact CD1-CB 4.42Å; F45-A135 HydrophobicContact CB-CB 4.2Å; F45-A135 HydrophobicContact CD1-CB 4.22Å; F45-A135 HydrophobicContact CD2-CB 3.39Å; F45-A135 HydrophobicContact CE2-CB 3.77Å; F45-A135 HydrophobicContact CG-CB 3.64Å; F45-A135 HydrophobicContact CZ-CB 4.33Å; F45-V138 HydrophobicContact CD1-CG2 4.37Å; F45-V138 HydrophobicContact CE1-CB 3.53Å; F45-V138 HydrophobicContact CE1-CG1 3.86Å; F45-V138 HydrophobicContact CE1-CG2 3.57Å; F45-V138 HydrophobicContact CZ-CB 3.9Å; F45-V138 HydrophobicContact CZ-CG1 3.89Å; F45-V138 HydrophobicContact CZ-CG2 4.41Å |
| 46 | R | 98.7 | Very high | 94.9 | Very high | 117 Ų | 117 | 36 Ų | 36 | 44% | 0.442 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 135.5 | -174.4 | -178.2 | 166.5 | -73.5 | -176.1 | 10.3 | 111.1 | R23 E35 V36 D37 K134 | R23-R46 VanDerWaalsContact NH1-CZ 3.26Å; E35-R46 HydrophobicContact CG-CG 3.74Å; E35-R46 VanDerWaalsContact OE1-CD 3.26Å; E35-R46 WeakPolarHBondContact OE1-CD 3.22Å; E35-R46 IonicContact OE1-NE 3.22Å; E35-R46 IonicContact OE2-CZ 3.32Å; E35-R46 IonicContact OE2-NE 2.9Å; E35-R46 PolarHBondContact OE2-NE 3.46Å; E35-R46 IonicContact OE2-NH1 3.56Å; V36-R46 CarbonylContact O-C 3.57Å; V36-R46 VanDerWaalsContact O-CA 3.3Å; V36-R46 WeakPolarHBondContact O-CA 3.44Å; D37-R46 WeakPolarHBondContact OD1-CB 3.43Å; D37-R46 IonicContact OD1-CZ 2.93Å; D37-R46 IonicContact OD1-NE 2.74Å; D37-R46 PolarHBondContact OD1-NE 3.28Å; D37-R46 IonicContact OD1-NH2 3.42Å; D37-R46 PolarHBondContact OD1-NH2 3.04Å; D37-R46 IonicContact OD2-CZ 2.89Å; D37-R46 IonicContact OD2-NE 3.25Å; D37-R46 IonicContact OD2-NH2 2.79Å; D37-R46 PolarHBondContact OD2-NH2 3.49Å; R46-K134 WeakPolarHBondContact O-CD 3.32Å; R46-K134 WeakPolarHBondContact O-CE 3.5Å; R46-K134 PolarHBondContact O-NZ 3.11Å |
| 47 | A | 98.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 140.9 | 168.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | E35 V36 L130 A131 D397 | E35-A47 CarbonylContact C-O 3.52Å; E35-A47 WeakPolarHBondContact CA-O 3.39Å; V36-A47 PolarHBondContact N-O 3.48Å; V36-A47 PolarHBondContact O-N 2.93Å; A47-L130 HydrophobicContact CB-CB 3.45Å; A47-L130 VanDerWaalsContact CB-CB 3.45Å; A47-L130 HydrophobicContact CB-CD1 4.39Å; A47-A131 HydrophobicContact CB-CB 4.06Å; A47-D397 WeakPolarHBondContact CA-OD2 3.41Å |
| 48 | A | 98.6 | Very high | 94.2 | Very high | 7 Ų | 7 | 44 Ų | 44 | 6% | 0.058 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 146.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | I25 V34 E35 T395 D397 | I25-A48 HydrophobicContact CD1-CB 3.85Å; V34-A48 WeakPolarHBondContact O-CA 3.43Å; E35-A48 HydrophobicContact CB-CB 4.47Å; A48-T395 HydrophobicContact CB-CG2 3.87Å; A48-D397 HydrophobicContact CB-CB 4.23Å; A48-D397 PolarHBondContact N-OD2 3.02Å |
| 49 | V | 98.4 | Very high | 94 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 24% | 0.243 | C | C | . | . | trans | -104.5 | 128.1 | -170.6 | 179.1 | 0 | 0 | 0 | 0 | 110.7 | T33 V34 N123 L126 G127 | T33-V49 WeakPolarHBondContact CG2-O 3.38Å; T33-V49 PolarHBondContact OG1-O 2.68Å; V34-V49 HydrophobicContact CB-CB 4.49Å; V34-V49 HydrophobicContact CB-CG2 4.46Å; V34-V49 PolarHBondContact O-N 3.35Å; V49-N123 HydrophobicContact CG1-CB 3.91Å; V49-L126 HydrophobicContact CG1-CD2 3.87Å; V49-L126 HydrophobicContact CG2-CB 4.44Å; V49-L126 HydrophobicContact CG2-CG 4.36Å; V49-G127 VanDerWaalsContact CG2-CA 3.43Å | ||
| 50 | P | 97.7 | Very high | 93.9 | Very high | 9 Ų | 9 | 41.6 Ų | 41.6 | 6% | 0.058 | 23% | 0.23 | C | C | . | . | trans | -80.4 | 171.4 | 175 | 35 | -36.6 | 0 | 0 | 0 | 112 | N364 R391 G393 E394 | P50-N364 HydrophobicContact CG-CB 4.31Å; P50-N364 PolarHBondContact O-ND2 2.9Å; P50-R391 HydrophobicContact CB-CB 4.04Å; P50-R391 HydrophobicContact CB-CG 3.94Å; P50-R391 HydrophobicContact CG-CG 4.06Å; P50-G393 CarbonylContact C-O 3.54Å; P50-G393 VanDerWaalsContact CA-O 3.27Å; P50-G393 WeakPolarHBondContact CA-O 3.48Å; P50-G393 WeakPolarHBondContact CB-O 3.26Å; P50-E394 WeakPolarHBondContact CB-OE2 3.18Å | ||
| 51 | S | 96.2 | Very high | 93.9 | Very high | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.007 | 25% | 0.246 | C | C | . | . | B | Isolated β-bridge | trans | -142.9 | 144.5 | -174.4 | -176.3 | 0 | 0 | 0 | 0 | 112.2 | R29 E62 R64 R391 G393 | R29-S51 PolarHBondContact NH2-OG 2.99Å; S51-E62 WeakPolarHBondContact CB-OE1 3.37Å; S51-E62 VanDerWaalsContact OG-CD 3.31Å; S51-E62 PolarHBondContact OG-OE1 3.27Å; S51-E62 PolarHBondContact OG-OE2 3.48Å; S51-R64 PolarHBondContact OG-NH2 3.24Å; S51-R391 WeakPolarHBondContact O-CB 3.43Å; S51-G393 PolarHBondContact N-O 3.4Å; S51-G393 CarbonylContact O-C 3.49Å; S51-G393 WeakPolarHBondContact O-CA 3.35Å; S51-G393 PolarHBondContact O-N 3.29Å |
| 52 | G | 91.9 | Very high | 94 | Very high | 9 Ų | 9 | 42.1 Ų | 42.1 | 9% | 0.093 | 22% | 0.223 | C | C | . | . | trans | -85.1 | 159.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115 | R29 R391 | R29-G52 VanDerWaalsContact NH1-C 3.32Å; R29-G52 PolarHBondContact NH1-O 2.8Å; R29-G52 PolarHBondContact NH2-O 3.36Å; G52-R391 VanDerWaalsContact CA-NH2 3.35Å | ||
| 53 | A | 87.4 | Confident | 94.2 | Very high | 44 Ų | 44 | 37.5 Ų | 37.5 | 36% | 0.364 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -102.1 | -57.4 | 166.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | R29 S392 | R29-A53 VanDerWaalsContact NH1-CA 3.28Å; A53-S392 WeakPolarHBondContact CB-OG 3.29Å; A53-S392 PolarHBondContact N-OG 3.37Å |
| 54 | S | 80.6 | Confident | 94.2 | Very high | 13 Ų | 13 | 37.9 Ų | 37.9 | 9% | 0.091 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -88.9 | 138.4 | 159.6 | 171.6 | 0 | 0 | 0 | 0 | 109 | E264 R391 | S54-E264 WeakPolarHBondContact CB-OE1 3.47Å; S54-E264 PolarHBondContact OG-OE1 3.13Å; S54-R391 PolarHBondContact O-NH2 2.96Å |
| 55 | T | 86 | Confident | 94.2 | Very high | 72 Ų | 72 | 34.3 Ų | 34.3 | 44% | 0.442 | 18% | 0.181 | S | C | . | . | trans | -142.6 | 130.8 | -176.1 | 57.7 | 0 | 0 | 0 | 0 | 109.4 | E59 | T55-E59 WeakPolarHBondContact CA-OE1 3.42Š| ||
| 56 | G | 83.6 | Confident | 94.2 | Very high | 4 Ų | 4 | 35.7 Ų | 35.7 | 4% | 0.041 | 20% | 0.201 | C | C | . | . | trans | -61.1 | 146.2 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | H58 E59 Q317 D338 | G56-H58 PolarHBondContact O-N 3.1Å; G56-E59 PolarHBondContact N-OE1 2.74Å; G56-E59 WeakPolarHBondContact O-CG 3.4Å; G56-E59 PolarHBondContact O-N 3.47Å; G56-Q317 VanDerWaalsContact CA-OE1 3.27Å; G56-D338 VanDerWaalsContact CA-OD1 3.3Å; G56-D338 WeakPolarHBondContact CA-OD1 3.16Å; G56-D338 PolarHBondContact N-OD1 2.97Å | ||
| 57 | I | 90.7 | Very high | 94.1 | Very high | 115 Ų | 115 | 33.4 Ų | 33.4 | 59% | 0.59 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -9.4 | -176.5 | 67.3 | 178.9 | 0 | 0 | 0 | 113.3 | Q317 | I57-Q317 VanDerWaalsContact CD1-NE2 3.34Å; I57-Q317 VanDerWaalsContact CG1-NE2 3.29Å; I57-Q317 VanDerWaalsContact CG2-NE2 3.35Å; I57-Q317 VanDerWaalsContact N-OE1 3.08Å |
| 58 | H | 92.6 | Very high | 94 | Very high | 67 Ų | 67 | 41 Ų | 41 | 31% | 0.31 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.3 | 7.9 | -178.3 | -56.2 | -67.1 | 0 | 0 | 0 | 113.7 | G56 D318 C341 R346 | G56-H58 PolarHBondContact O-N 3.1Å; H58-D318 IonicContact NE2-OD1 2.6Å; H58-D318 IonicContact NE2-OD2 3.92Å; H58-C341 HydrophobicContact CB-CB 4.48Å; H58-R346 PolarHBondContact CD2-NH1 2.98Å; H58-R346 PolarHBondContact CE1-NH1 2.9Å; H58-R346 PolarHBondContact NE2-NH1 3.17Å |
| 59 | E | 94.9 | Very high | 94 | Very high | 24 Ų | 24 | 45 Ų | 45 | 11% | 0.112 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -63.4 | 152.8 | 172.3 | -68.2 | -169.3 | -164.9 | 0 | 0 | 111.3 | T55 G56 C341 Q365 R391 | T55-E59 WeakPolarHBondContact CA-OE1 3.42Å; G56-E59 PolarHBondContact N-OE1 2.74Å; G56-E59 WeakPolarHBondContact O-CG 3.4Å; G56-E59 PolarHBondContact O-N 3.47Å; E59-C341 HydrophobicContact CG-CB 4.25Å; E59-Q365 VanDerWaalsContact CD-CG 3.49Å; E59-Q365 HydrophobicContact CG-CB 4.12Å; E59-Q365 HydrophobicContact CG-CG 3.8Å; E59-Q365 PolarHBondContact OE1-NE2 3.07Å; E59-R391 IonicContact OE1-CZ 2.73Å; E59-R391 IonicContact OE1-NH1 3.65Å; E59-R391 IonicContact OE1-NH2 3.58Å; E59-R391 PolarHBondContact OE1-NH2 3Å; E59-R391 IonicContact OE2-CZ 3.2Å; E59-R391 IonicContact OE2-NH1 3.59Å; E59-R391 PolarHBondContact OE2-NH1 3.17Å; E59-R391 IonicContact OE2-NH2 2.79Å; E59-R391 PolarHBondContact OE2-NH2 3.34Å |
| 60 | A | 95.9 | Very high | 93.9 | Very high | 13 Ų | 13 | 50.6 Ų | 50.6 | 11% | 0.107 | 28% | 0.284 | C | S | . | . | trans | -61.6 | 147.2 | 168 | 0 | 0 | 0 | 0 | 0 | 110.8 | E62 K117 A122 Q365 | A60-E62 PolarHBondContact O-N 3.02Å; A60-E62 VanDerWaalsContact O-N 3.13Å; A60-K117 HydrophobicContact CB-CD 4.06Å; A60-A122 HydrophobicContact CB-CB 3.52Å; A60-Q365 VanDerWaalsContact CB-O 3.23Å; A60-Q365 WeakPolarHBondContact CB-O 3.42Å; A60-Q365 PolarHBondContact N-O 3.07Å | ||
| 61 | L | 96.9 | Very high | 93.9 | Very high | 72 Ų | 72 | 53.7 Ų | 53.7 | 38% | 0.377 | 30% | 0.297 | S | S | . | . | trans | -71.7 | 111.5 | -171 | -177.7 | 70.5 | 0 | 0 | 0 | 111.5 | M63 N116 A122 | L61-M63 PolarHBondContact O-N 2.58Å; L61-N116 PolarHBondContact N-O 3.32Å; L61-A122 VanDerWaalsContact O-CB 3.3Å; L61-A122 WeakPolarHBondContact O-CB 3.34Å; L61-A122 PolarHBondContact O-N 3.26Å | ||
| 62 | E | 97.2 | Very high | 93.9 | Very high | 39 Ų | 39 | 60.1 Ų | 60.1 | 18% | 0.182 | 33% | 0.331 | C | S | . | . | trans | -69.6 | 110.9 | 161.1 | -175.4 | -172.5 | -131.7 | 0 | 0 | 109.8 | S51 A60 R64 N123 | S51-E62 WeakPolarHBondContact CB-OE1 3.37Å; S51-E62 VanDerWaalsContact OG-CD 3.31Å; S51-E62 PolarHBondContact OG-OE1 3.27Å; S51-E62 PolarHBondContact OG-OE2 3.48Å; A60-E62 PolarHBondContact O-N 3.02Å; A60-E62 VanDerWaalsContact O-N 3.13Å; E62-R64 VanDerWaalsContact CD-CZ 3.46Å; E62-R64 PolarHBondContact O-N 3.31Å; E62-R64 IonicContact OE1-CZ 3.4Å; E62-R64 IonicContact OE1-NE 3.63Å; E62-R64 IonicContact OE1-NH2 3.18Å; E62-R64 PolarHBondContact OE1-NH2 3.21Å; E62-R64 IonicContact OE2-CZ 2.97Å; E62-R64 VanDerWaalsContact OE2-CZ 3.25Å; E62-R64 IonicContact OE2-NE 3.73Å; E62-R64 PolarHBondContact OE2-NE 3.08Å; E62-R64 IonicContact OE2-NH2 2.57Å; E62-R64 PolarHBondContact OE2-NH2 2.87Å; E62-N123 HydrophobicContact CG-CB 4.25Å | ||
| 63 | M | 97.9 | Very high | 94.1 | Very high | 23 Ų | 23 | 60 Ų | 60 | 11% | 0.113 | 33% | 0.33 | C | S | . | . | trans | -78 | 119.1 | -177.2 | -178.5 | 171.1 | -67 | 0 | 0 | 111.2 | L61 K78 A79 N82 S118 K119 N123 | L61-M63 PolarHBondContact O-N 2.58Å; M63-K78 HydrophobicContact CG-CB 4.07Å; M63-K78 HydrophobicContact SD-CB 3.82Å; M63-A79 HydrophobicContact CB-CB 4.19Å; M63-A79 HydrophobicContact CG-CB 4.48Å; M63-N82 PolarHBondContact SD-ND2 3.24Å; M63-S118 VanDerWaalsContact CE-O 3.25Å; M63-S118 WeakPolarHBondContact CE-O 3.43Å; M63-K119 WeakPolarHBondContact CE-O 3.27Å; M63-N123 PolarHBondContact N-OD1 2.98Å; M63-N123 PolarHBondContact O-ND2 2.96Å; M63-N123 VanDerWaalsContact O-ND2 3.08Å | ||
| 64 | R | 97.9 | Very high | 94.6 | Very high | 40 Ų | 40 | 62.6 Ų | 62.6 | 15% | 0.151 | 33% | 0.333 | C | S | . | . | trans | -114.5 | 157.1 | 175.2 | -58.5 | -59.2 | -168.8 | 161.8 | -9.8 | 111.7 | P32 S51 E62 K74 G75 V76 | P32-R64 PolarHBondContact O-NH1 3.45Å; S51-R64 PolarHBondContact OG-NH2 3.24Å; E62-R64 VanDerWaalsContact CD-CZ 3.46Å; E62-R64 PolarHBondContact O-N 3.31Å; E62-R64 IonicContact OE1-CZ 3.4Å; E62-R64 IonicContact OE1-NE 3.63Å; E62-R64 IonicContact OE1-NH2 3.18Å; E62-R64 PolarHBondContact OE1-NH2 3.21Å; E62-R64 IonicContact OE2-CZ 2.97Å; E62-R64 VanDerWaalsContact OE2-CZ 3.25Å; E62-R64 IonicContact OE2-NE 3.73Å; E62-R64 PolarHBondContact OE2-NE 3.08Å; E62-R64 IonicContact OE2-NH2 2.57Å; E62-R64 PolarHBondContact OE2-NH2 2.87Å; R64-K74 PolarHBondContact NH1-O 3.26Å; R64-G75 CarbonylContact C-O 3.45Å; R64-G75 VanDerWaalsContact CA-O 3.3Å; R64-G75 WeakPolarHBondContact CA-O 3.42Å; R64-V76 VanDerWaalsContact NH1-CG1 3.27Å | ||
| 65 | D | 98.2 | Very high | 95.5 | Very high | 30 Ų | 30 | 62 Ų | 62 | 16% | 0.16 | 33% | 0.329 | C | S | . | . | trans | -72.1 | -34.6 | -178.4 | -65.2 | -21.5 | 0 | 0 | 0 | 112.2 | D67 G75 V76 L77 K78 | D65-D67 PolarHBondContact O-N 2.98Å; D65-G75 PolarHBondContact N-O 3.29Å; D65-G75 VanDerWaalsContact OD2-CA 3.25Å; D65-G75 WeakPolarHBondContact OD2-CA 3.25Å; D65-V76 PolarHBondContact OD2-N 3.35Å; D65-V76 VanDerWaalsContact OD2-N 3.12Å; D65-L77 VanDerWaalsContact CG-N 3.33Å; D65-L77 PolarHBondContact OD1-N 3.24Å; D65-L77 WeakPolarHBondContact OD2-CB 3.32Å; D65-L77 PolarHBondContact OD2-N 2.91Å; D65-K78 WeakPolarHBondContact O-CE 3.47Å; D65-K78 PolarHBondContact O-NZ 2.68Å; D65-K78 WeakPolarHBondContact OD1-CB 3.46Å; D65-K78 WeakPolarHBondContact OD1-CG 3.3Å; D65-K78 PolarHBondContact OD1-N 3.34Å | ||
| 66 | G | 97.1 | Very high | 96.1 | Very high | 50 Ų | 50 | 58.6 Ų | 58.6 | 52% | 0.515 | 31% | 0.308 | S | S | . | . | trans | 75.2 | -1.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | K68 G73 | G66-K68 PolarHBondContact O-N 2.79Å; G66-G73 WeakPolarHBondContact CA-O 3.46Å; G66-G73 PolarHBondContact N-O 2.87Å; G66-G73 VanDerWaalsContact N-O 3.07Å | ||
| 67 | D | 97.7 | Very high | 96.8 | Very high | 70 Ų | 70 | 63.2 Ų | 63.2 | 37% | 0.374 | 33% | 0.331 | S | S | . | . | trans | -74.3 | 105.3 | 176.3 | 178.5 | 4.3 | 0 | 0 | 0 | 111.3 | D65 S69 H70 G73 | D65-D67 PolarHBondContact O-N 2.98Å; D67-S69 PolarHBondContact O-N 2.87Å; D67-S69 WeakPolarHBondContact OD1-CB 3.39Å; D67-S69 PolarHBondContact OD1-N 2.92Å; D67-S69 PolarHBondContact OD1-OG 2.72Å; D67-S69 PolarHBondContact OD2-OG 2.76Å; D67-S69 VanDerWaalsContact OD2-OG 3.09Å; D67-H70 PolarHBondContact O-N 2.7Å; D67-H70 VanDerWaalsContact O-N 3.16Å; D67-H70 IonicContact OD2-CE1 3.7Å; D67-H70 IonicContact OD2-CG 3.6Å; D67-H70 IonicContact OD2-ND1 2.86Å; D67-H70 PolarHBondContact OD2-ND1 2.91Å; D67-G73 WeakPolarHBondContact O-CA 3.4Å; D67-G73 PolarHBondContact O-N 2.96Å | ||
| 68 | K | 96.9 | Very high | 97.1 | Very high | 159 Ų | 159 | 62.9 Ų | 62.9 | 69% | 0.691 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -20.9 | -179.6 | -67.4 | -62.6 | -177.7 | -177.8 | 0 | 114.2 | G66 H70 L72 | G66-K68 PolarHBondContact O-N 2.79Å; K68-H70 VanDerWaalsContact C-N 3.29Å; K68-L72 WeakPolarHBondContact CD-O 3.4Å; K68-L72 PolarHBondContact NZ-O 3.3Å; K68-L72 VanDerWaalsContact NZ-O 3.16Å |
| 69 | S | 97.7 | Very high | 97.4 | Very high | 90 Ų | 90 | 59.7 Ų | 59.7 | 63% | 0.629 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -19.3 | 177.8 | 70.6 | 0 | 0 | 0 | 0 | 113.1 | D67 | D67-S69 PolarHBondContact O-N 2.87Å; D67-S69 WeakPolarHBondContact OD1-CB 3.39Å; D67-S69 PolarHBondContact OD1-N 2.92Å; D67-S69 PolarHBondContact OD1-OG 2.72Å; D67-S69 PolarHBondContact OD2-OG 2.76Å; D67-S69 VanDerWaalsContact OD2-OG 3.09Å |
| 70 | H | 96.9 | Very high | 97.6 | Very high | 118 Ų | 118 | 59.1 Ų | 59.1 | 55% | 0.546 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -124.5 | 125.3 | 179 | -63.8 | 91.8 | 0 | 0 | 0 | 111.2 | D67 K68 L72 G73 | D67-H70 PolarHBondContact O-N 2.7Å; D67-H70 VanDerWaalsContact O-N 3.16Å; D67-H70 IonicContact OD2-CE1 3.7Å; D67-H70 IonicContact OD2-CG 3.6Å; D67-H70 IonicContact OD2-ND1 2.86Å; D67-H70 PolarHBondContact OD2-ND1 2.91Å; K68-H70 VanDerWaalsContact C-N 3.29Å; H70-L72 PolarHBondContact O-N 3.2Å; H70-G73 PolarHBondContact O-N 3.33Å |
| 71 | H | 97 | Very high | 97.8 | Very high | 75 Ų | 75 | 63.9 Ų | 63.9 | 35% | 0.347 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | 50.5 | 28.9 | -179.6 | -52.8 | -76 | 0 | 0 | 0 | 113.7 | Q24 Y26 P32 G73 K74 | Q24-H71 PolarHBondContact NE2-NE2 3.29Å; Y26-H71 PolarHBondContact OH-CE1 3.17Å; P32-H71 HydrophobicContact CG-CB 3.69Å; P32-H71 VanDerWaalsContact CG-CG 3.4Å; P32-H71 WeakPolarHBondContact CG-ND1 3.36Å; H71-G73 PolarHBondContact O-N 2.83Å; H71-G73 VanDerWaalsContact O-N 3.09Å; H71-K74 VanDerWaalsContact O-CB 3.31Å; H71-K74 WeakPolarHBondContact O-CB 3.28Å; H71-K74 PolarHBondContact O-N 3.31Å |
| 72 | L | 96.5 | Very high | 97.9 | Very high | 136 Ų | 136 | 61.9 Ų | 61.9 | 71% | 0.712 | 32% | 0.317 | S | S | * | . | G | 310 helix | trans | 56.1 | 27.4 | -179.2 | -50 | 175.7 | 0 | 0 | 0 | 114 | K68 H70 | K68-L72 WeakPolarHBondContact CD-O 3.4Å; K68-L72 PolarHBondContact NZ-O 3.3Å; K68-L72 VanDerWaalsContact NZ-O 3.16Å; H70-L72 PolarHBondContact O-N 3.2Å |
| 73 | G | 97.1 | Very high | 97.9 | Very high | 7 Ų | 7 | 60 Ų | 60 | 7% | 0.072 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | 88.7 | 1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | G66 D67 H70 H71 | G66-G73 WeakPolarHBondContact CA-O 3.46Å; G66-G73 PolarHBondContact N-O 2.87Å; G66-G73 VanDerWaalsContact N-O 3.07Å; D67-G73 WeakPolarHBondContact O-CA 3.4Å; D67-G73 PolarHBondContact O-N 2.96Å; H70-G73 PolarHBondContact O-N 3.33Å; H71-G73 PolarHBondContact O-N 2.83Å; H71-G73 VanDerWaalsContact O-N 3.09Å |
| 74 | K | 97.6 | Very high | 98 | Very high | 97 Ų | 97 | 61.4 Ų | 61.4 | 42% | 0.422 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | 6.1 | -177.5 | -61.2 | -67.8 | -170.2 | 171.9 | 0 | 114.2 | R64 H71 | R64-K74 PolarHBondContact NH1-O 3.26Å; H71-K74 VanDerWaalsContact O-CB 3.31Å; H71-K74 WeakPolarHBondContact O-CB 3.28Å; H71-K74 PolarHBondContact O-N 3.31Å |
| 75 | G | 98.4 | Very high | 98 | Very high | 1 Ų | 1 | 65.4 Ų | 65.4 | 1% | 0.01 | 34% | 0.336 | C | S | . | . | trans | -54.7 | 156.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | R64 D65 | R64-G75 CarbonylContact C-O 3.45Å; R64-G75 VanDerWaalsContact CA-O 3.3Å; R64-G75 WeakPolarHBondContact CA-O 3.42Å; D65-G75 PolarHBondContact N-O 3.29Å; D65-G75 VanDerWaalsContact OD2-CA 3.25Å; D65-G75 WeakPolarHBondContact OD2-CA 3.25Å | ||
| 76 | V | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 34% | 0.344 | C | S | . | . | trans | -127.2 | 18.8 | -179.4 | -63.4 | 0 | 0 | 0 | 0 | 113 | Q24 P32 T33 V34 R64 D65 K78 A79 V80 | Q24-V76 HydrophobicContact CB-CG2 4.07Å; Q24-V76 HydrophobicContact CG-CG2 3.72Å; P32-V76 HydrophobicContact CB-CG2 4.3Å; T33-V76 WeakPolarHBondContact O-CG2 3.38Å; V34-V76 HydrophobicContact CG2-CB 3.98Å; V34-V76 HydrophobicContact CG2-CG2 3.94Å; R64-V76 VanDerWaalsContact NH1-CG1 3.27Å; D65-V76 PolarHBondContact OD2-N 3.35Å; D65-V76 VanDerWaalsContact OD2-N 3.12Å; V76-K78 PolarHBondContact O-N 3.41Å; V76-A79 WeakPolarHBondContact O-CB 3.35Å; V76-A79 PolarHBondContact O-N 2.96Å; V76-A79 VanDerWaalsContact O-N 3.08Å; V76-V80 HydrophobicContact CG2-CG2 4.33Å; V76-V80 WeakPolarHBondContact O-CG2 3.17Å; V76-V80 PolarHBondContact O-N 2.95Å | ||
| 77 | L | 98.6 | Very high | 98.1 | Very high | 101 Ų | 101 | 64.1 Ų | 64.1 | 53% | 0.529 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63.4 | -28.4 | -176.9 | -64.9 | 179.5 | 0 | 0 | 0 | 112.7 | Q24 D65 V80 K81 | Q24-L77 HydrophobicContact CB-CD2 4.09Å; D65-L77 VanDerWaalsContact CG-N 3.33Å; D65-L77 PolarHBondContact OD1-N 3.24Å; D65-L77 WeakPolarHBondContact OD2-CB 3.32Å; D65-L77 PolarHBondContact OD2-N 2.91Å; L77-V80 PolarHBondContact O-N 3.3Å; L77-K81 WeakPolarHBondContact O-CB 3.26Å; L77-K81 PolarHBondContact O-N 3.21Å |
| 78 | K | 98.7 | Very high | 98.1 | Very high | 108 Ų | 108 | 61.4 Ų | 61.4 | 47% | 0.47 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.1 | -47.2 | 170.5 | -71.9 | 177.7 | -174.7 | 169.2 | 0 | 112 | M63 D65 V76 K81 N82 | M63-K78 HydrophobicContact CG-CB 4.07Å; M63-K78 HydrophobicContact SD-CB 3.82Å; D65-K78 WeakPolarHBondContact O-CE 3.47Å; D65-K78 PolarHBondContact O-NZ 2.68Å; D65-K78 WeakPolarHBondContact OD1-CB 3.46Å; D65-K78 WeakPolarHBondContact OD1-CG 3.3Å; D65-K78 PolarHBondContact OD1-N 3.34Å; V76-K78 PolarHBondContact O-N 3.41Å; K78-K81 PolarHBondContact O-N 3.48Å; K78-N82 VanDerWaalsContact O-CG 3.32Å; K78-N82 PolarHBondContact O-N 3.44Å |
| 79 | A | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65.1 | -43.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | V34 M63 V76 K81 N82 I83 A124 | V34-A79 HydrophobicContact CG2-CB 3.98Å; M63-A79 HydrophobicContact CB-CB 4.19Å; M63-A79 HydrophobicContact CG-CB 4.48Å; V76-A79 WeakPolarHBondContact O-CB 3.35Å; V76-A79 PolarHBondContact O-N 2.96Å; V76-A79 VanDerWaalsContact O-N 3.08Å; A79-K81 VanDerWaalsContact C-N 3.33Å; A79-K81 PolarHBondContact O-N 2.92Å; A79-N82 WeakPolarHBondContact O-CB 3.43Å; A79-N82 PolarHBondContact O-N 2.97Å; A79-I83 WeakPolarHBondContact O-CG1 3.49Å; A79-I83 PolarHBondContact O-N 3.19Å; A79-A124 HydrophobicContact CB-CB 4.33Å |
| 80 | V | 98.8 | Very high | 98.2 | Very high | 13 Ų | 13 | 53.5 Ų | 53.5 | 8% | 0.079 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.1 | -44.6 | 174.8 | 169.8 | 0 | 0 | 0 | 0 | 111.2 | A22 V34 V76 L77 I83 N84 | A22-V80 HydrophobicContact CB-CG1 4.12Å; A22-V80 WeakPolarHBondContact O-CG1 3.39Å; V34-V80 HydrophobicContact CG2-CG2 4.33Å; V76-V80 HydrophobicContact CG2-CG2 4.33Å; V76-V80 WeakPolarHBondContact O-CG2 3.17Å; V76-V80 PolarHBondContact O-N 2.95Å; L77-V80 PolarHBondContact O-N 3.3Å; V80-I83 PolarHBondContact O-N 2.88Å; V80-N84 WeakPolarHBondContact CG1-ND2 3.27Å; V80-N84 PolarHBondContact O-N 2.92Å; V80-N84 PolarHBondContact O-ND2 2.97Å |
| 81 | K | 98.8 | Very high | 98.2 | Very high | 112 Ų | 112 | 48 Ų | 48 | 49% | 0.487 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61.2 | -44.9 | 176 | -173 | -179.1 | -179.1 | -178.4 | 0 | 111.4 | L77 K78 A79 I83 N84 E85 | L77-K81 WeakPolarHBondContact O-CB 3.26Å; L77-K81 PolarHBondContact O-N 3.21Å; K78-K81 PolarHBondContact O-N 3.48Å; A79-K81 VanDerWaalsContact C-N 3.33Å; A79-K81 PolarHBondContact O-N 2.92Å; K81-I83 VanDerWaalsContact C-N 3.28Å; K81-I83 PolarHBondContact O-N 2.93Å; K81-N84 PolarHBondContact O-N 3.15Å; K81-E85 VanDerWaalsContact CE-OE1 3.28Å; K81-E85 WeakPolarHBondContact CE-OE1 3.49Å; K81-E85 WeakPolarHBondContact CE-OE2 3.3Å; K81-E85 VanDerWaalsContact CG-CD 3.49Å; K81-E85 HydrophobicContact CG-CG 4.13Å; K81-E85 WeakPolarHBondContact CG-OE1 3.38Å; K81-E85 IonicContact NZ-OE2 3.62Å; K81-E85 WeakPolarHBondContact O-CB 3.46Å; K81-E85 PolarHBondContact O-N 3.49Å |
| 82 | N | 98.8 | Very high | 98.1 | Very high | 30 Ų | 30 | 50.9 Ų | 50.9 | 16% | 0.16 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.2 | -38.6 | 176 | -73.6 | -17.8 | 0 | 0 | 0 | 112.1 | M63 K78 A79 V86 I87 K119 L120 | M63-N82 PolarHBondContact SD-ND2 3.24Å; K78-N82 VanDerWaalsContact O-CG 3.32Å; K78-N82 PolarHBondContact O-N 3.44Å; A79-N82 WeakPolarHBondContact O-CB 3.43Å; A79-N82 PolarHBondContact O-N 2.97Å; N82-V86 WeakPolarHBondContact O-CA 3.21Å; N82-V86 VanDerWaalsContact O-CB 3.27Å; N82-V86 WeakPolarHBondContact O-CB 3.16Å; N82-V86 PolarHBondContact O-N 3.16Å; N82-V86 VanDerWaalsContact O-N 3.14Å; N82-I87 PolarHBondContact O-N 2.95Å; N82-K119 PolarHBondContact ND2-O 3.45Å; N82-L120 HydrophobicContact CB-CD2 4.28Å; N82-L120 WeakPolarHBondContact ND2-CA 3.32Å; N82-L120 PolarHBondContact ND2-O 2.93Å |
| 83 | I | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | I | π-helix | trans | -65.9 | -52.7 | 174.7 | -63.2 | 161.7 | 0 | 0 | 0 | 110.8 | A22 V34 V36 A79 V80 K81 I87 A88 A124 V128 | A22-I83 HydrophobicContact CB-CB 3.62Å; A22-I83 HydrophobicContact CB-CD1 3.6Å; A22-I83 HydrophobicContact CB-CG1 4.22Å; A22-I83 HydrophobicContact CB-CG2 3.6Å; V34-I83 HydrophobicContact CG1-CD1 3.55Å; V36-I83 HydrophobicContact CG2-CD1 3.68Å; A79-I83 WeakPolarHBondContact O-CG1 3.49Å; A79-I83 PolarHBondContact O-N 3.19Å; V80-I83 PolarHBondContact O-N 2.88Å; K81-I83 VanDerWaalsContact C-N 3.28Å; K81-I83 PolarHBondContact O-N 2.93Å; I83-I87 HydrophobicContact CG1-CD1 4.15Å; I83-I87 PolarHBondContact O-N 3.17Å; I83-A88 WeakPolarHBondContact O-CB 3.49Å; I83-A88 PolarHBondContact O-N 3.2Å; I83-A124 HydrophobicContact CD1-CB 3.99Å; I83-A124 HydrophobicContact CG1-CB 3.65Å; I83-V128 HydrophobicContact CG1-CG2 4.19Å; I83-V128 HydrophobicContact CG2-CG2 3.76Å |
| 84 | N | 98.8 | Very high | 97.9 | Very high | 52 Ų | 52 | 54.3 Ų | 54.3 | 28% | 0.278 | 28% | 0.276 | S | S | . | . | I | π-helix | trans | -69.7 | -38.7 | -171.9 | -71.5 | -25.1 | 0 | 0 | 0 | 113.6 | A22 V80 K81 P89 | A22-N84 PolarHBondContact N-OD1 2.91Å; A22-N84 PolarHBondContact O-ND2 3.15Å; V80-N84 WeakPolarHBondContact CG1-ND2 3.27Å; V80-N84 PolarHBondContact O-N 2.92Å; V80-N84 PolarHBondContact O-ND2 2.97Å; K81-N84 PolarHBondContact O-N 3.15Å; N84-P89 WeakPolarHBondContact O-CD 3.44Å |
| 85 | E | 98.6 | Very high | 97.6 | Very high | 124 Ų | 124 | 52 Ų | 52 | 58% | 0.579 | 28% | 0.281 | S | S | * | . | I | π-helix | trans | -102.7 | -18.6 | -171.1 | -62.5 | -177.9 | -164.2 | 0 | 0 | 113.6 | K81 | K81-E85 VanDerWaalsContact CE-OE1 3.28Å; K81-E85 WeakPolarHBondContact CE-OE1 3.49Å; K81-E85 WeakPolarHBondContact CE-OE2 3.3Å; K81-E85 VanDerWaalsContact CG-CD 3.49Å; K81-E85 HydrophobicContact CG-CG 4.13Å; K81-E85 WeakPolarHBondContact CG-OE1 3.38Å; K81-E85 IonicContact NZ-OE2 3.62Å; K81-E85 WeakPolarHBondContact O-CB 3.46Å; K81-E85 PolarHBondContact O-N 3.49Å |
| 86 | V | 98.7 | Very high | 97.5 | Very high | 54 Ų | 54 | 53.8 Ų | 53.8 | 33% | 0.327 | 29% | 0.288 | S | S | . | . | I | π-helix | trans | -118.7 | -59.4 | -176.2 | -170.6 | 0 | 0 | 0 | 0 | 111.5 | N82 A90 L111 L120 | N82-V86 WeakPolarHBondContact O-CA 3.21Å; N82-V86 VanDerWaalsContact O-CB 3.27Å; N82-V86 WeakPolarHBondContact O-CB 3.16Å; N82-V86 PolarHBondContact O-N 3.16Å; N82-V86 VanDerWaalsContact O-N 3.14Å; V86-A90 WeakPolarHBondContact O-CB 2.8Å; V86-A90 PolarHBondContact O-N 3.27Å; V86-L111 HydrophobicContact CG1-CD2 4.11Å; V86-L111 HydrophobicContact CG1-CG 4.37Å; V86-L120 HydrophobicContact CB-CD2 4.36Å; V86-L120 HydrophobicContact CG1-CD2 4.01Å |
| 87 | I | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 29% | 0.293 | C | S | . | . | I | π-helix | trans | -68.6 | -47.6 | -175.3 | -61.5 | 172.5 | 0 | 0 | 0 | 111.1 | N82 I83 A90 L91 M108 L111 L120 A124 V128 | N82-I87 PolarHBondContact O-N 2.95Å; I83-I87 HydrophobicContact CG1-CD1 4.15Å; I83-I87 PolarHBondContact O-N 3.17Å; I87-A90 PolarHBondContact O-N 3.06Å; I87-L91 HydrophobicContact CG2-CD1 3.62Å; I87-L91 HydrophobicContact CG2-CG 4.07Å; I87-L91 WeakPolarHBondContact O-CG 3.28Å; I87-L91 PolarHBondContact O-N 3.27Å; I87-M108 HydrophobicContact CG2-CG 4.15Å; I87-M108 HydrophobicContact CG2-SD 3.81Å; I87-L111 HydrophobicContact CG1-CD2 4.41Å; I87-L120 HydrophobicContact CD1-CD1 4.14Å; I87-L120 HydrophobicContact CG1-CD1 3.99Å; I87-A124 HydrophobicContact CD1-CB 4.16Å; I87-V128 HydrophobicContact CG2-CG1 4.31Å; I87-V128 HydrophobicContact CG2-CG2 4.11Å |
| 88 | A | 98.3 | Very high | 97.3 | Very high | 13 Ų | 13 | 50.1 Ų | 50.1 | 11% | 0.107 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.2 | -49.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L20 I83 A90 K92 | L20-A88 HydrophobicContact CB-CB 3.58Å; L20-A88 HydrophobicContact CD1-CB 4.33Å; I83-A88 WeakPolarHBondContact O-CB 3.49Å; I83-A88 PolarHBondContact O-N 3.2Å; A88-A90 VanDerWaalsContact C-N 3.34Å; A88-A90 PolarHBondContact O-N 2.91Å; A88-K92 WeakPolarHBondContact O-CB 3.47Å; A88-K92 PolarHBondContact O-N 3.36Å; A88-K92 VanDerWaalsContact O-N 3.08Å |
| 89 | P | 97.7 | Very high | 97.2 | Very high | 67 Ų | 67 | 46.8 Ų | 46.8 | 44% | 0.435 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -62.1 | -40 | 174.3 | -24.2 | 36 | 0 | 0 | 0 | 112.7 | N84 K92 S93 | N84-P89 WeakPolarHBondContact O-CD 3.44Å; P89-K92 PolarHBondContact O-N 2.82Å; P89-S93 WeakPolarHBondContact O-CB 3.49Å; P89-S93 PolarHBondContact O-N 3.14Å |
| 90 | A | 97.9 | Very high | 97.2 | Very high | 16 Ų | 16 | 50.9 Ų | 50.9 | 13% | 0.132 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.4 | -47.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112 | V86 I87 A88 S93 K94 F107 L111 | V86-A90 WeakPolarHBondContact O-CB 2.8Å; V86-A90 PolarHBondContact O-N 3.27Å; I87-A90 PolarHBondContact O-N 3.06Å; A88-A90 VanDerWaalsContact C-N 3.34Å; A88-A90 PolarHBondContact O-N 2.91Å; A90-S93 PolarHBondContact O-N 3.12Å; A90-S93 PolarHBondContact O-OG 2.94Å; A90-K94 WeakPolarHBondContact O-CG 3.37Å; A90-K94 PolarHBondContact O-N 3.1Å; A90-K94 VanDerWaalsContact O-N 3.16Å; A90-F107 HydrophobicContact CB-CE1 3.78Å; A90-F107 HydrophobicContact CB-CZ 3.93Å; A90-L111 HydrophobicContact CB-CD2 3.79Å |
| 91 | L | 97.2 | Very high | 97.2 | Very high | 2 Ų | 2 | 50.3 Ų | 50.3 | 1% | 0.01 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.9 | -42.3 | 177.5 | -72.9 | 178.1 | 0 | 0 | 0 | 112.3 | I17 L20 I87 S93 K94 G95 F96 I104 F107 M108 V128 | I17-L91 HydrophobicContact CD1-CB 4.31Å; I17-L91 HydrophobicContact CD1-CD1 4.22Å; L20-L91 HydrophobicContact CD1-CB 4.4Å; L20-L91 HydrophobicContact CD1-CD1 3.68Å; I87-L91 HydrophobicContact CG2-CD1 3.62Å; I87-L91 HydrophobicContact CG2-CG 4.07Å; I87-L91 WeakPolarHBondContact O-CG 3.28Å; I87-L91 PolarHBondContact O-N 3.27Å; L91-S93 VanDerWaalsContact C-N 3.29Å; L91-S93 PolarHBondContact O-N 3.18Å; L91-K94 PolarHBondContact O-N 2.95Å; L91-G95 PolarHBondContact O-N 2.9Å; L91-F96 HydrophobicContact CD2-CD2 3.9Å; L91-F96 HydrophobicContact CD2-CE2 4.24Å; L91-I104 HydrophobicContact CD1-CG2 4.23Å; L91-I104 HydrophobicContact CD2-CG2 3.87Å; L91-F107 HydrophobicContact CD2-CD1 3.58Å; L91-F107 HydrophobicContact CD2-CE1 4.02Å; L91-F107 HydrophobicContact CG-CD1 4.48Å; L91-M108 HydrophobicContact CD1-CG 4.49Å; L91-M108 HydrophobicContact CD1-SD 4.22Å; L91-M108 HydrophobicContact CD2-CG 4.46Å; L91-V128 HydrophobicContact CD1-CG1 3.71Å |
| 92 | K | 94.1 | Very high | 97.1 | Very high | 135 Ų | 135 | 47.4 Ų | 47.4 | 59% | 0.587 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -60.3 | -40.3 | 175.3 | -173.3 | 170.3 | -177.3 | 162 | 0 | 111.9 | M18 A88 P89 K94 G95 | M18-K92 PolarHBondContact O-NZ 3.48Å; A88-K92 WeakPolarHBondContact O-CB 3.47Å; A88-K92 PolarHBondContact O-N 3.36Å; A88-K92 VanDerWaalsContact O-N 3.08Å; P89-K92 PolarHBondContact O-N 2.82Å; K92-K94 VanDerWaalsContact C-N 3.3Å; K92-K94 PolarHBondContact O-N 3.45Å; K92-G95 PolarHBondContact O-N 3.17Å |
| 93 | S | 95 | Very high | 97.1 | Very high | 94 Ų | 94 | 47.9 Ų | 47.9 | 66% | 0.657 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -66.7 | -29.6 | 177.9 | 78.2 | 0 | 0 | 0 | 0 | 113.6 | P89 A90 L91 | P89-S93 WeakPolarHBondContact O-CB 3.49Å; P89-S93 PolarHBondContact O-N 3.14Å; A90-S93 PolarHBondContact O-N 3.12Å; A90-S93 PolarHBondContact O-OG 2.94Å; L91-S93 VanDerWaalsContact C-N 3.29Å; L91-S93 PolarHBondContact O-N 3.18Å |
| 94 | K | 94.9 | Very high | 97.1 | Very high | 121 Ų | 121 | 47.9 Ų | 47.9 | 53% | 0.526 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -77.8 | -23.2 | 177.7 | -71.8 | -63.6 | -174.3 | -175.8 | 0 | 113.2 | A90 L91 K92 F96 F107 | A90-K94 WeakPolarHBondContact O-CG 3.37Å; A90-K94 PolarHBondContact O-N 3.1Å; A90-K94 VanDerWaalsContact O-N 3.16Å; L91-K94 PolarHBondContact O-N 2.95Å; K92-K94 VanDerWaalsContact C-N 3.3Å; K92-K94 PolarHBondContact O-N 3.45Å; K94-F96 VanDerWaalsContact C-N 3.28Å; K94-F96 HydrophobicContact CB-CD2 3.52Å; K94-F96 HydrophobicContact CB-CE2 3.39Å; K94-F96 HydrophobicContact CB-CG 4.18Å; K94-F96 HydrophobicContact CB-CZ 3.94Å; K94-F96 HydrophobicContact CD-CE2 4.49Å; K94-F96 HydrophobicContact CD-CZ 4.5Å; K94-F96 HydrophobicContact CG-CD2 4.28Å; K94-F96 HydrophobicContact CG-CE2 3.67Å; K94-F96 HydrophobicContact CG-CZ 4.14Å; K94-F96 PolarHBondContact O-N 3.5Å; K94-F107 HydrophobicContact CD-CE2 4.16Å; K94-F107 HydrophobicContact CD-CZ 4.34Å; K94-F107 HydrophobicContact CG-CD1 4.46Å; K94-F107 HydrophobicContact CG-CD2 4.36Å; K94-F107 HydrophobicContact CG-CE1 3.98Å; K94-F107 HydrophobicContact CG-CE2 3.91Å; K94-F107 HydrophobicContact CG-CZ 3.67Å |
| 95 | G | 92.4 | Very high | 97.1 | Very high | 50 Ų | 50 | 45.4 Ų | 45.4 | 52% | 0.515 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.1 | 32.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113 | L91 K92 | L91-G95 PolarHBondContact O-N 2.9Å; K92-G95 PolarHBondContact O-N 3.17Å |
| 96 | F | 95.3 | Very high | 97.1 | Very high | 38 Ų | 38 | 42.4 Ų | 42.4 | 17% | 0.167 | 25% | 0.254 | C | S | . | . | trans | -65.2 | 142.4 | 177.3 | -68.6 | -60.3 | 0 | 0 | 0 | 111.6 | L91 K94 A103 I104 F107 | L91-F96 HydrophobicContact CD2-CD2 3.9Å; L91-F96 HydrophobicContact CD2-CE2 4.24Å; K94-F96 VanDerWaalsContact C-N 3.28Å; K94-F96 HydrophobicContact CB-CD2 3.52Å; K94-F96 HydrophobicContact CB-CE2 3.39Å; K94-F96 HydrophobicContact CB-CG 4.18Å; K94-F96 HydrophobicContact CB-CZ 3.94Å; K94-F96 HydrophobicContact CD-CE2 4.49Å; K94-F96 HydrophobicContact CD-CZ 4.5Å; K94-F96 HydrophobicContact CG-CD2 4.28Å; K94-F96 HydrophobicContact CG-CE2 3.67Å; K94-F96 HydrophobicContact CG-CZ 4.14Å; K94-F96 PolarHBondContact O-N 3.5Å; F96-A103 HydrophobicContact CD1-CB 4.47Å; F96-A103 HydrophobicContact CE1-CB 4.15Å; F96-I104 HydrophobicContact CB-CD1 3.9Å; F96-I104 HydrophobicContact CB-CG1 3.61Å; F96-I104 HydrophobicContact CD2-CG1 3.86Å; F96-I104 HydrophobicContact CG-CG1 3.8Å; F96-F107 HydrophobicContact CE2-CB 3.81Å; F96-F107 AromaticContact CE2-CD1 3.88Å; F96-F107 HydrophobicContact CE2-CD1 3.88Å; F96-F107 HydrophobicContact CE2-CD2 4.4Å; F96-F107 AromaticContact CE2-CG 3.76Å; F96-F107 HydrophobicContact CE2-CG 3.76Å; F96-F107 HydrophobicContact CZ-CB 4.07Å; F96-F107 HydrophobicContact CZ-CG 4.24Å | ||
| 97 | E | 95.4 | Very high | 97.1 | Very high | 24 Ų | 24 | 41.3 Ų | 41.3 | 11% | 0.112 | 25% | 0.245 | C | C | . | . | B | Isolated β-bridge | trans | -75.8 | 138.5 | 166.6 | -73.1 | -64.5 | 112.9 | 0 | 0 | 109.8 | E14 M15 S16 T99 Q100 I104 | E14-E97 VanDerWaalsContact C-OE2 3.31Å; E14-E97 VanDerWaalsContact CA-OE2 3.23Å; E14-E97 WeakPolarHBondContact CA-OE2 3.31Å; E14-E97 VanDerWaalsContact CB-OE1 3.31Å; E14-E97 WeakPolarHBondContact CB-OE1 3.23Å; E14-E97 HydrophobicContact CG-CG 4.32Å; M15-E97 PolarHBondContact N-OE1 3.34Å; M15-E97 PolarHBondContact N-OE2 3.35Å; S16-E97 PolarHBondContact N-OE1 3.24Å; E97-T99 PolarHBondContact O-N 3.4Å; E97-Q100 HydrophobicContact CB-CG 4Å; E97-Q100 WeakPolarHBondContact O-CB 3.26Å; E97-Q100 PolarHBondContact O-N 3.12Å; E97-I104 WeakPolarHBondContact O-CD1 3.3Å |
| 98 | V | 96.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -14.3 | -178.4 | -60.5 | 0 | 0 | 0 | 0 | 113.6 | M15 I17 L38 T40 Q100 V132 A135 H139 | M15-V98 HydrophobicContact CB-CG2 4.49Å; M15-V98 HydrophobicContact CE-CG2 3.37Å; M15-V98 PolarHBondContact O-N 3.35Å; I17-V98 HydrophobicContact CG1-CG1 3.74Å; L38-V98 HydrophobicContact CD2-CG1 4.16Å; T40-V98 HydrophobicContact CG2-CG1 4.01Å; V98-Q100 VanDerWaalsContact C-N 3.27Å; V98-V132 WeakPolarHBondContact O-CG1 3.21Å; V98-A135 HydrophobicContact CB-CB 3.95Å; V98-A135 HydrophobicContact CG1-CB 3.97Å; V98-A135 HydrophobicContact CG2-CB 4Å; V98-H139 HydrophobicContact CG2-CB 4.1Å |
| 99 | T | 97.5 | Very high | 97.1 | Very high | 38 Ų | 38 | 43 Ų | 43 | 23% | 0.233 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -11.1 | 174 | 54.9 | 0 | 0 | 0 | 0 | 113.6 | E97 Q101 H139 K140 Y147 | E97-T99 PolarHBondContact O-N 3.4Å; T99-Q101 PolarHBondContact O-N 3.05Å; T99-Q101 VanDerWaalsContact O-N 3.11Å; T99-H139 HydrophobicContact CG2-CB 3.99Å; T99-H139 WeakPolarHBondContact CG2-CD2 3.41Å; T99-K140 HydrophobicContact CG2-CD 4.43Å; T99-K140 HydrophobicContact CG2-CG 4.04Å; T99-Y147 WeakPolarHBondContact CA-OH 3.24Å; T99-Y147 PolarHBondContact O-OH 3.23Å |
| 100 | Q | 97.7 | Very high | 97.1 | Very high | 85 Ų | 85 | 46.4 Ų | 46.4 | 40% | 0.397 | 26% | 0.262 | S | S | . | . | trans | -86.8 | 48.8 | 179.2 | -60.4 | 176.9 | -66.7 | 0 | 0 | 111.7 | E97 V98 A102 A103 I104 | E97-Q100 HydrophobicContact CB-CG 4Å; E97-Q100 WeakPolarHBondContact O-CB 3.26Å; E97-Q100 PolarHBondContact O-N 3.12Å; V98-Q100 VanDerWaalsContact C-N 3.27Å; Q100-A102 VanDerWaalsContact C-N 3.32Å; Q100-A102 PolarHBondContact O-N 3.35Å; Q100-A103 HydrophobicContact CB-CB 4.08Å; Q100-A103 PolarHBondContact O-N 2.93Å; Q100-I104 PolarHBondContact O-N 3.37Å | ||
| 101 | Q | 98.6 | Very high | 97.2 | Very high | 2 Ų | 2 | 47.6 Ų | 47.6 | 1% | 0.009 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -45.5 | -52.7 | -175.3 | -176.6 | 69.1 | 51.6 | 0 | 0 | 112.7 | T99 A103 I104 D105 S129 C133 L151 V369 | T99-Q101 PolarHBondContact O-N 3.05Å; T99-Q101 VanDerWaalsContact O-N 3.11Å; Q101-A103 PolarHBondContact O-N 3.26Å; Q101-I104 PolarHBondContact O-N 2.97Å; Q101-D105 PolarHBondContact NE2-OD1 3.01Å; Q101-D105 PolarHBondContact NE2-OD2 3.39Å; Q101-D105 WeakPolarHBondContact O-CB 3.45Å; Q101-D105 PolarHBondContact O-N 3.33Å; Q101-S129 PolarHBondContact NE2-O 3.02Å; Q101-S129 PolarHBondContact NE2-OG 3.14Å; Q101-S129 VanDerWaalsContact NE2-OG 3.16Å; Q101-C133 VanDerWaalsContact OE1-CB 3.27Å; Q101-C133 VanDerWaalsContact OE1-N 3.08Å; Q101-L151 HydrophobicContact CB-CD1 4.08Å; Q101-L151 HydrophobicContact CB-CD2 3.99Å; Q101-L151 HydrophobicContact CG-CD1 4Å; Q101-V369 HydrophobicContact CG-CB 4.49Å; Q101-V369 HydrophobicContact CG-CG1 4.46Å |
| 102 | A | 98.4 | Very high | 97.2 | Very high | 51 Ų | 51 | 47.6 Ų | 47.6 | 42% | 0.421 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -64.7 | -36.1 | -178 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q100 T106 T370 | Q100-A102 VanDerWaalsContact C-N 3.32Å; Q100-A102 PolarHBondContact O-N 3.35Å; A102-T106 WeakPolarHBondContact O-CB 3.29Å; A102-T106 PolarHBondContact O-N 2.83Å; A102-T106 PolarHBondContact O-OG1 2.83Å; A102-T370 WeakPolarHBondContact CA-OG1 3.41Å; A102-T370 HydrophobicContact CB-CG2 4.04Å |
| 103 | A | 98.5 | Very high | 97.4 | Very high | 40 Ų | 40 | 44.2 Ų | 44.2 | 33% | 0.331 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -71.3 | -40.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | F96 Q100 Q101 F107 | F96-A103 HydrophobicContact CD1-CB 4.47Å; F96-A103 HydrophobicContact CE1-CB 4.15Å; Q100-A103 HydrophobicContact CB-CB 4.08Å; Q100-A103 PolarHBondContact O-N 2.93Å; Q101-A103 PolarHBondContact O-N 3.26Å; A103-F107 VanDerWaalsContact O-CB 3.26Å; A103-F107 WeakPolarHBondContact O-CB 3.17Å; A103-F107 PolarHBondContact O-N 2.77Å |
| 104 | I | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.4 | -49.5 | 176.4 | -70.2 | 164.7 | 0 | 0 | 0 | 110.6 | I17 L91 F96 E97 Q100 Q101 T106 F107 M108 V132 | I17-I104 HydrophobicContact CD1-CD1 4.26Å; L91-I104 HydrophobicContact CD1-CG2 4.23Å; L91-I104 HydrophobicContact CD2-CG2 3.87Å; F96-I104 HydrophobicContact CB-CD1 3.9Å; F96-I104 HydrophobicContact CB-CG1 3.61Å; F96-I104 HydrophobicContact CD2-CG1 3.86Å; F96-I104 HydrophobicContact CG-CG1 3.8Å; E97-I104 WeakPolarHBondContact O-CD1 3.3Å; Q100-I104 PolarHBondContact O-N 3.37Å; Q101-I104 PolarHBondContact O-N 2.97Å; I104-T106 PolarHBondContact O-N 3.35Å; I104-F107 PolarHBondContact O-N 2.83Å; I104-M108 HydrophobicContact CG2-CE 3.99Å; I104-M108 WeakPolarHBondContact O-CG 3.45Å; I104-M108 PolarHBondContact O-N 3.01Å; I104-V132 HydrophobicContact CD1-CG1 3.63Å; I104-V132 HydrophobicContact CD1-CG2 4.37Å; I104-V132 HydrophobicContact CG2-CG1 4.49Å; I104-V132 HydrophobicContact CG2-CG2 4.07Å |
| 105 | D | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.4 | -48.3 | 177.7 | -71.9 | -19.2 | 0 | 0 | 0 | 110.7 | Q101 F107 M108 L109 S129 T370 | Q101-D105 PolarHBondContact NE2-OD1 3.01Å; Q101-D105 PolarHBondContact NE2-OD2 3.39Å; Q101-D105 WeakPolarHBondContact O-CB 3.45Å; Q101-D105 PolarHBondContact O-N 3.33Å; D105-F107 VanDerWaalsContact C-N 3.28Å; D105-F107 PolarHBondContact O-N 2.71Å; D105-M108 PolarHBondContact O-N 2.89Å; D105-M108 VanDerWaalsContact O-N 3.15Å; D105-M108 WeakPolarHBondContact OD1-CE 3.33Å; D105-L109 VanDerWaalsContact O-CG 3.3Å; D105-L109 WeakPolarHBondContact O-CG 3.1Å; D105-L109 PolarHBondContact O-N 3.13Å; D105-S129 VanDerWaalsContact CG-OG 3.22Å; D105-S129 WeakPolarHBondContact OD1-CB 3.43Å; D105-S129 PolarHBondContact OD1-OG 3.38Å; D105-S129 PolarHBondContact OD2-OG 3.5Å; D105-T370 WeakPolarHBondContact OD2-CB 3.1Å; D105-T370 PolarHBondContact OD2-N 2.98Å; D105-T370 PolarHBondContact OD2-OG1 3.23Å |
| 106 | T | 98.5 | Very high | 97.6 | Very high | 61 Ų | 61 | 44.7 Ų | 44.7 | 37% | 0.374 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -58.1 | -41 | 177 | -60.6 | 0 | 0 | 0 | 0 | 111.9 | A102 I104 L109 Q110 | A102-T106 WeakPolarHBondContact O-CB 3.29Å; A102-T106 PolarHBondContact O-N 2.83Å; A102-T106 PolarHBondContact O-OG1 2.83Å; I104-T106 PolarHBondContact O-N 3.35Å; T106-L109 PolarHBondContact O-N 2.87Å; T106-Q110 VanDerWaalsContact O-CG 3.29Å; T106-Q110 WeakPolarHBondContact O-CG 3.49Å; T106-Q110 PolarHBondContact O-N 2.73Å |
| 107 | F | 98.6 | Very high | 97.7 | Very high | 30 Ų | 30 | 43.1 Ų | 43.1 | 13% | 0.132 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.5 | -42.1 | 177.3 | 175.8 | -105.3 | 0 | 0 | 0 | 112.2 | A90 L91 K94 F96 A103 I104 D105 L109 Q110 L111 | A90-F107 HydrophobicContact CB-CE1 3.78Å; A90-F107 HydrophobicContact CB-CZ 3.93Å; L91-F107 HydrophobicContact CD2-CD1 3.58Å; L91-F107 HydrophobicContact CD2-CE1 4.02Å; L91-F107 HydrophobicContact CG-CD1 4.48Å; K94-F107 HydrophobicContact CD-CE2 4.16Å; K94-F107 HydrophobicContact CD-CZ 4.34Å; K94-F107 HydrophobicContact CG-CD1 4.46Å; K94-F107 HydrophobicContact CG-CD2 4.36Å; K94-F107 HydrophobicContact CG-CE1 3.98Å; K94-F107 HydrophobicContact CG-CE2 3.91Å; K94-F107 HydrophobicContact CG-CZ 3.67Å; F96-F107 HydrophobicContact CE2-CB 3.81Å; F96-F107 AromaticContact CE2-CD1 3.88Å; F96-F107 HydrophobicContact CE2-CD1 3.88Å; F96-F107 HydrophobicContact CE2-CD2 4.4Å; F96-F107 AromaticContact CE2-CG 3.76Å; F96-F107 HydrophobicContact CE2-CG 3.76Å; F96-F107 HydrophobicContact CZ-CB 4.07Å; F96-F107 HydrophobicContact CZ-CG 4.24Å; A103-F107 VanDerWaalsContact O-CB 3.26Å; A103-F107 WeakPolarHBondContact O-CB 3.17Å; A103-F107 PolarHBondContact O-N 2.77Å; I104-F107 PolarHBondContact O-N 2.83Å; D105-F107 VanDerWaalsContact C-N 3.28Å; D105-F107 PolarHBondContact O-N 2.71Å; F107-L109 VanDerWaalsContact C-N 3.34Å; F107-L109 PolarHBondContact O-N 2.77Å; F107-Q110 PolarHBondContact O-N 3.43Å; F107-L111 WeakPolarHBondContact O-CB 3.36Å; F107-L111 PolarHBondContact O-N 3.42Å |
| 108 | M | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.7 | -39.3 | 175.5 | -69.3 | -171.5 | -66.4 | 0 | 0 | 112 | I87 L91 I104 D105 L111 D112 I125 V128 | I87-M108 HydrophobicContact CG2-CG 4.15Å; I87-M108 HydrophobicContact CG2-SD 3.81Å; L91-M108 HydrophobicContact CD1-CG 4.49Å; L91-M108 HydrophobicContact CD1-SD 4.22Å; L91-M108 HydrophobicContact CD2-CG 4.46Å; I104-M108 HydrophobicContact CG2-CE 3.99Å; I104-M108 WeakPolarHBondContact O-CG 3.45Å; I104-M108 PolarHBondContact O-N 3.01Å; D105-M108 PolarHBondContact O-N 2.89Å; D105-M108 VanDerWaalsContact O-N 3.15Å; D105-M108 WeakPolarHBondContact OD1-CE 3.33Å; M108-L111 PolarHBondContact O-N 3Å; M108-D112 PolarHBondContact O-N 2.92Å; M108-I125 HydrophobicContact CB-CG1 4.45Å; M108-I125 HydrophobicContact CB-CG2 4.12Å; M108-I125 HydrophobicContact CE-CG2 4Å; M108-I125 HydrophobicContact SD-CG2 4.4Å; M108-V128 HydrophobicContact CE-CB 4.34Å; M108-V128 HydrophobicContact CE-CG1 4.2Å; M108-V128 HydrophobicContact SD-CB 3.8Å; M108-V128 HydrophobicContact SD-CG1 3.63Å |
| 109 | L | 98.4 | Very high | 97.9 | Very high | 48 Ų | 48 | 49.8 Ų | 49.8 | 25% | 0.251 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.1 | -42.4 | 174.1 | -66.1 | 173.8 | 0 | 0 | 0 | 112 | D105 T106 F107 L111 D112 G113 K117 I125 E371 | D105-L109 VanDerWaalsContact O-CG 3.3Å; D105-L109 WeakPolarHBondContact O-CG 3.1Å; D105-L109 PolarHBondContact O-N 3.13Å; T106-L109 PolarHBondContact O-N 2.87Å; F107-L109 VanDerWaalsContact C-N 3.34Å; F107-L109 PolarHBondContact O-N 2.77Å; L109-L111 VanDerWaalsContact C-N 3.34Å; L109-D112 PolarHBondContact O-N 2.99Å; L109-G113 PolarHBondContact O-N 2.81Å; L109-K117 HydrophobicContact CD2-CD 4.32Å; L109-K117 HydrophobicContact CD2-CG 4.29Å; L109-I125 HydrophobicContact CD2-CD1 4.5Å; L109-E371 HydrophobicContact CD1-CG 4.16Å |
| 110 | Q | 98.4 | Very high | 97.9 | Very high | 139 Ų | 139 | 48.1 Ų | 48.1 | 65% | 0.65 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -66.2 | -35.8 | 175.3 | -72 | 170.5 | -2.8 | 0 | 0 | 112.4 | T106 F107 G113 | T106-Q110 VanDerWaalsContact O-CG 3.29Å; T106-Q110 WeakPolarHBondContact O-CG 3.49Å; T106-Q110 PolarHBondContact O-N 2.73Å; F107-Q110 PolarHBondContact O-N 3.43Å; Q110-G113 PolarHBondContact O-N 3.48Å |
| 111 | L | 98.3 | Very high | 98 | Very high | 41 Ų | 41 | 44 Ų | 44 | 22% | 0.215 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -67.7 | -36.9 | 177.9 | -173.3 | 62.2 | 0 | 0 | 0 | 112.2 | V86 I87 A90 F107 M108 L109 K119 L120 | V86-L111 HydrophobicContact CG1-CD2 4.11Å; V86-L111 HydrophobicContact CG1-CG 4.37Å; I87-L111 HydrophobicContact CG1-CD2 4.41Å; A90-L111 HydrophobicContact CB-CD2 3.79Å; F107-L111 WeakPolarHBondContact O-CB 3.36Å; F107-L111 PolarHBondContact O-N 3.42Å; M108-L111 PolarHBondContact O-N 3Å; L109-L111 VanDerWaalsContact C-N 3.34Å; L111-K119 PolarHBondContact O-NZ 3.05Å; L111-L120 HydrophobicContact CB-CD1 4.15Å; L111-L120 HydrophobicContact CD2-CD1 4.19Å; L111-L120 HydrophobicContact CG-CD1 4.03Å |
| 112 | D | 98.6 | Very high | 97.9 | Very high | 3 Ų | 3 | 44 Ų | 44 | 2% | 0.016 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -66.1 | -55.8 | 168.7 | -167.5 | -60.1 | 0 | 0 | 0 | 110.7 | M108 L109 T114 K117 K119 L120 I125 | M108-D112 PolarHBondContact O-N 2.92Å; L109-D112 PolarHBondContact O-N 2.99Å; D112-T114 PolarHBondContact O-N 3.5Å; D112-T114 VanDerWaalsContact OD1-CB 3.31Å; D112-T114 WeakPolarHBondContact OD1-CB 3.4Å; D112-T114 WeakPolarHBondContact OD1-CG2 3.48Å; D112-T114 PolarHBondContact OD1-N 2.59Å; D112-T114 VanDerWaalsContact OD1-N 3.13Å; D112-T114 PolarHBondContact OD1-OG1 3.28Å; D112-K117 WeakPolarHBondContact OD2-CA 3.31Å; D112-K119 WeakPolarHBondContact O-CD 3.42Å; D112-K119 WeakPolarHBondContact OD1-CB 3.22Å; D112-K119 PolarHBondContact OD1-N 3.39Å; D112-K119 PolarHBondContact OD2-N 2.85Å; D112-L120 HydrophobicContact CB-CB 4.37Å; D112-L120 HydrophobicContact CB-CD1 3.91Å; D112-L120 HydrophobicContact CB-CG 3.98Å; D112-L120 WeakPolarHBondContact OD2-CB 3.36Å; D112-L120 PolarHBondContact OD2-N 3.16Å; D112-I125 HydrophobicContact CB-CD1 4.16Å |
| 113 | G | 97.7 | Very high | 97.9 | Very high | 64 Ų | 64 | 41.5 Ų | 41.5 | 66% | 0.66 | 23% | 0.234 | S | C | * | . | trans | 72.9 | 6.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | L109 Q110 | L109-G113 PolarHBondContact O-N 2.81Å; Q110-G113 PolarHBondContact O-N 3.48Å | ||
| 114 | T | 98 | Very high | 98 | Very high | 54 Ų | 54 | 39.6 Ų | 39.6 | 33% | 0.331 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -109 | 158.4 | 174.2 | 75.4 | 0 | 0 | 0 | 0 | 111.5 | D112 K117 S118 K119 | D112-T114 PolarHBondContact O-N 3.5Å; D112-T114 VanDerWaalsContact OD1-CB 3.31Å; D112-T114 WeakPolarHBondContact OD1-CB 3.4Å; D112-T114 WeakPolarHBondContact OD1-CG2 3.48Å; D112-T114 PolarHBondContact OD1-N 2.59Å; D112-T114 VanDerWaalsContact OD1-N 3.13Å; D112-T114 PolarHBondContact OD1-OG1 3.28Å; T114-K117 WeakPolarHBondContact OG1-CA 3.46Å; T114-K117 PolarHBondContact OG1-N 3.25Å; T114-S118 PolarHBondContact OG1-N 3.44Å; T114-S118 PolarHBondContact OG1-OG 3.03Å; T114-K119 HydrophobicContact CG2-CB 4.06Å |
| 115 | E | 94.1 | Very high | 98 | Very high | 150 Ų | 150 | 39.6 Ų | 39.6 | 70% | 0.701 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -40.6 | -177.8 | 179.7 | 166.4 | -150.2 | 0 | 0 | 113.1 | K345 | E115-K345 IonicContact OE1-NZ 2.72Å; E115-K345 PolarHBondContact OE1-NZ 3.2Å |
| 116 | N | 95 | Very high | 98 | Very high | 70 Ų | 70 | 39.6 Ų | 39.6 | 37% | 0.374 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.5 | 18.6 | -174.4 | 70 | -22.5 | 0 | 0 | 0 | 113.5 | L61 S118 | L61-N116 PolarHBondContact N-O 3.32Å; N116-S118 VanDerWaalsContact C-N 3.25Å; N116-S118 PolarHBondContact O-N 3.5Å; N116-S118 WeakPolarHBondContact OD1-CB 3.45Å; N116-S118 PolarHBondContact OD1-N 3.01Å; N116-S118 PolarHBondContact OD1-OG 2.93Å |
| 117 | K | 97.6 | Very high | 98 | Very high | 5 Ų | 5 | 36.7 Ų | 36.7 | 2% | 0.022 | 20% | 0.2 | C | C | . | . | trans | 60.4 | 33.8 | 179.7 | -53.5 | 169.2 | 170.2 | 68.1 | 0 | 113 | A60 L109 D112 T114 G121 A122 I125 I366 E371 | A60-K117 HydrophobicContact CB-CD 4.06Å; L109-K117 HydrophobicContact CD2-CD 4.32Å; L109-K117 HydrophobicContact CD2-CG 4.29Å; D112-K117 WeakPolarHBondContact OD2-CA 3.31Å; T114-K117 WeakPolarHBondContact OG1-CA 3.46Å; T114-K117 PolarHBondContact OG1-N 3.25Å; K117-G121 CarbonylContact O-C 3.54Å; K117-G121 WeakPolarHBondContact O-CA 3.24Å; K117-G121 PolarHBondContact O-N 3.44Å; K117-A122 HydrophobicContact CB-CB 4.27Å; K117-A122 HydrophobicContact CD-CB 4.02Å; K117-I125 HydrophobicContact CB-CD1 4.02Å; K117-I125 HydrophobicContact CD-CD1 4.02Å; K117-I125 HydrophobicContact CG-CD1 3.89Å; K117-I366 WeakPolarHBondContact CD-O 3.47Å; K117-I366 WeakPolarHBondContact CE-O 3.38Å; K117-I366 PolarHBondContact NZ-O 3.07Å; K117-E371 WeakPolarHBondContact CE-OE2 3.47Å; K117-E371 VanDerWaalsContact NZ-CD 3.26Å; K117-E371 IonicContact NZ-OE1 3.73Å; K117-E371 PolarHBondContact NZ-OE1 2.79Å; K117-E371 IonicContact NZ-OE2 2.77Å; K117-E371 PolarHBondContact NZ-OE2 2.92Å | ||
| 118 | S | 97.2 | Very high | 98 | Very high | 45 Ų | 45 | 35.3 Ų | 35.3 | 32% | 0.315 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -15.1 | -173.7 | 50.8 | 0 | 0 | 0 | 0 | 114.8 | M63 T114 N116 | M63-S118 VanDerWaalsContact CE-O 3.25Å; M63-S118 WeakPolarHBondContact CE-O 3.43Å; T114-S118 PolarHBondContact OG1-N 3.44Å; T114-S118 PolarHBondContact OG1-OG 3.03Å; N116-S118 VanDerWaalsContact C-N 3.25Å; N116-S118 PolarHBondContact O-N 3.5Å; N116-S118 WeakPolarHBondContact OD1-CB 3.45Å; N116-S118 PolarHBondContact OD1-N 3.01Å; N116-S118 PolarHBondContact OD1-OG 2.93Å |
| 119 | K | 98.4 | Very high | 98 | Very high | 119 Ų | 119 | 35.3 Ų | 35.3 | 52% | 0.517 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -43.8 | 179 | -175.1 | -169.7 | 175 | -169 | 0 | 112.2 | M63 N82 L111 D112 T114 | M63-K119 WeakPolarHBondContact CE-O 3.27Å; N82-K119 PolarHBondContact ND2-O 3.45Å; L111-K119 PolarHBondContact O-NZ 3.05Å; D112-K119 WeakPolarHBondContact O-CD 3.42Å; D112-K119 WeakPolarHBondContact OD1-CB 3.22Å; D112-K119 PolarHBondContact OD1-N 3.39Å; D112-K119 PolarHBondContact OD2-N 2.85Å; T114-K119 HydrophobicContact CG2-CB 4.06Å |
| 120 | L | 98.6 | Very high | 98 | Very high | 3 Ų | 3 | 33.1 Ų | 33.1 | 2% | 0.016 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99 | -32.2 | -179.7 | -61.7 | 179.7 | 0 | 0 | 0 | 112.1 | N82 V86 I87 L111 D112 A124 I125 | N82-L120 HydrophobicContact CB-CD2 4.28Å; N82-L120 WeakPolarHBondContact ND2-CA 3.32Å; N82-L120 PolarHBondContact ND2-O 2.93Å; V86-L120 HydrophobicContact CB-CD2 4.36Å; V86-L120 HydrophobicContact CG1-CD2 4.01Å; I87-L120 HydrophobicContact CD1-CD1 4.14Å; I87-L120 HydrophobicContact CG1-CD1 3.99Å; L111-L120 HydrophobicContact CB-CD1 4.15Å; L111-L120 HydrophobicContact CD2-CD1 4.19Å; L111-L120 HydrophobicContact CG-CD1 4.03Å; D112-L120 HydrophobicContact CB-CB 4.37Å; D112-L120 HydrophobicContact CB-CD1 3.91Å; D112-L120 HydrophobicContact CB-CG 3.98Å; D112-L120 WeakPolarHBondContact OD2-CB 3.36Å; D112-L120 PolarHBondContact OD2-N 3.16Å; L120-A124 VanDerWaalsContact O-CB 3.25Å; L120-A124 WeakPolarHBondContact O-CB 3.49Å; L120-I125 HydrophobicContact CB-CD1 4.44Å; L120-I125 HydrophobicContact CB-CG1 4.34Å |
| 121 | G | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 15% | 0.152 | C | C | . | . | trans | 99 | 132 | -173.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | K117 N123 A124 I125 | K117-G121 CarbonylContact O-C 3.54Å; K117-G121 WeakPolarHBondContact O-CA 3.24Å; K117-G121 PolarHBondContact O-N 3.44Å; G121-N123 PolarHBondContact O-N 3.01Å; G121-A124 WeakPolarHBondContact O-CB 3.43Å; G121-A124 PolarHBondContact O-N 3.44Å; G121-I125 PolarHBondContact O-N 3.15Å; G121-I125 VanDerWaalsContact O-N 3.1Å | ||
| 122 | A | 98.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -58.9 | -38.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | A60 L61 K117 A124 I125 L126 | A60-A122 HydrophobicContact CB-CB 3.52Å; L61-A122 VanDerWaalsContact O-CB 3.3Å; L61-A122 WeakPolarHBondContact O-CB 3.34Å; L61-A122 PolarHBondContact O-N 3.26Å; K117-A122 HydrophobicContact CB-CB 4.27Å; K117-A122 HydrophobicContact CD-CB 4.02Å; A122-A124 VanDerWaalsContact C-N 3.31Å; A122-A124 PolarHBondContact O-N 2.88Å; A122-I125 PolarHBondContact O-N 2.61Å; A122-L126 WeakPolarHBondContact O-CB 3.41Å; A122-L126 PolarHBondContact O-N 2.87Å |
| 123 | N | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -66.1 | -29 | 174.1 | 56.5 | -27.2 | 0 | 0 | 0 | 113.5 | V34 V49 E62 M63 G121 G127 | V34-N123 HydrophobicContact CG2-CB 4.4Å; V49-N123 HydrophobicContact CG1-CB 3.91Å; E62-N123 HydrophobicContact CG-CB 4.25Å; M63-N123 PolarHBondContact N-OD1 2.98Å; M63-N123 PolarHBondContact O-ND2 2.96Å; M63-N123 VanDerWaalsContact O-ND2 3.08Å; G121-N123 PolarHBondContact O-N 3.01Å; N123-G127 PolarHBondContact O-N 3.38Å |
| 124 | A | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -70.8 | -50.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | A79 I83 I87 L120 G121 A122 V128 | A79-A124 HydrophobicContact CB-CB 4.33Å; I83-A124 HydrophobicContact CD1-CB 3.99Å; I83-A124 HydrophobicContact CG1-CB 3.65Å; I87-A124 HydrophobicContact CD1-CB 4.16Å; L120-A124 VanDerWaalsContact O-CB 3.25Å; L120-A124 WeakPolarHBondContact O-CB 3.49Å; G121-A124 WeakPolarHBondContact O-CB 3.43Å; G121-A124 PolarHBondContact O-N 3.44Å; A122-A124 VanDerWaalsContact C-N 3.31Å; A122-A124 PolarHBondContact O-N 2.88Å; A124-V128 PolarHBondContact O-N 2.67Å |
| 125 | I | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -63.4 | -45.5 | -179.3 | -63.2 | 177.8 | 0 | 0 | 0 | 110.5 | M108 L109 D112 K117 L120 G121 A122 G127 V128 S129 G367 | M108-I125 HydrophobicContact CB-CG1 4.45Å; M108-I125 HydrophobicContact CB-CG2 4.12Å; M108-I125 HydrophobicContact CE-CG2 4Å; M108-I125 HydrophobicContact SD-CG2 4.4Å; L109-I125 HydrophobicContact CD2-CD1 4.5Å; D112-I125 HydrophobicContact CB-CD1 4.16Å; K117-I125 HydrophobicContact CB-CD1 4.02Å; K117-I125 HydrophobicContact CD-CD1 4.02Å; K117-I125 HydrophobicContact CG-CD1 3.89Å; L120-I125 HydrophobicContact CB-CD1 4.44Å; L120-I125 HydrophobicContact CB-CG1 4.34Å; G121-I125 PolarHBondContact O-N 3.15Å; G121-I125 VanDerWaalsContact O-N 3.1Å; A122-I125 PolarHBondContact O-N 2.61Å; I125-G127 PolarHBondContact O-N 2.88Å; I125-V128 PolarHBondContact O-N 3.44Å; I125-S129 VanDerWaalsContact O-CB 3.31Å; I125-S129 WeakPolarHBondContact O-CB 3.47Å; I125-S129 PolarHBondContact O-N 3.32Å; I125-G367 CarbonylContact C-O 3.58Å; I125-G367 WeakPolarHBondContact CG2-O 3.08Å |
| 126 | L | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -62.4 | -47.5 | -178.4 | 179.8 | 60.9 | 0 | 0 | 0 | 111.6 | V49 A122 V128 S129 L130 V363 N364 G367 | V49-L126 HydrophobicContact CG1-CD2 3.87Å; V49-L126 HydrophobicContact CG2-CB 4.44Å; V49-L126 HydrophobicContact CG2-CG 4.36Å; A122-L126 WeakPolarHBondContact O-CB 3.41Å; A122-L126 PolarHBondContact O-N 2.87Å; L126-V128 VanDerWaalsContact C-N 3.25Å; L126-V128 PolarHBondContact O-N 3.44Å; L126-S129 WeakPolarHBondContact O-CB 3.49Å; L126-S129 PolarHBondContact O-N 2.9Å; L126-S129 VanDerWaalsContact O-N 3.07Å; L126-L130 HydrophobicContact CD1-CD1 3.98Å; L126-L130 HydrophobicContact CD1-CD2 3.85Å; L126-L130 HydrophobicContact CD1-CG 3.67Å; L126-L130 HydrophobicContact CD2-CD1 4.44Å; L126-L130 HydrophobicContact CG-CD1 3.87Å; L126-L130 HydrophobicContact CG-CG 4.01Å; L126-L130 VanDerWaalsContact O-CG 3.27Å; L126-L130 WeakPolarHBondContact O-CG 3.45Å; L126-L130 PolarHBondContact O-N 3.42Å; L126-V363 HydrophobicContact CD1-CB 4.03Å; L126-V363 HydrophobicContact CD1-CG2 4.3Å; L126-V363 HydrophobicContact CD2-CB 4.33Å; L126-V363 HydrophobicContact CD2-CG2 4Å; L126-N364 HydrophobicContact CD2-CB 4Å; L126-G367 WeakPolarHBondContact CA-O 3.44Å; L126-G367 WeakPolarHBondContact CB-O 3.21Å; L126-G367 PolarHBondContact N-O 2.92Å; L126-G367 VanDerWaalsContact N-O 3.12Å |
| 127 | G | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 10.3 Ų | 10.3 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -55.5 | -42.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | V49 N123 I125 A131 | V49-G127 VanDerWaalsContact CG2-CA 3.43Å; N123-G127 PolarHBondContact O-N 3.38Å; I125-G127 PolarHBondContact O-N 2.88Å; G127-A131 WeakPolarHBondContact O-CB 3.48Å; G127-A131 PolarHBondContact O-N 3.1Å |
| 128 | V | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -68.6 | -46.6 | 175 | 179.6 | 0 | 0 | 0 | 0 | 111.2 | L20 V36 I83 I87 L91 M108 A124 I125 L126 L130 A131 V132 | L20-V128 HydrophobicContact CD1-CG1 4.09Å; L20-V128 HydrophobicContact CD2-CG1 4.26Å; V36-V128 HydrophobicContact CG1-CG2 4.16Å; V36-V128 HydrophobicContact CG2-CG2 4.38Å; I83-V128 HydrophobicContact CG1-CG2 4.19Å; I83-V128 HydrophobicContact CG2-CG2 3.76Å; I87-V128 HydrophobicContact CG2-CG1 4.31Å; I87-V128 HydrophobicContact CG2-CG2 4.11Å; L91-V128 HydrophobicContact CD1-CG1 3.71Å; M108-V128 HydrophobicContact CE-CB 4.34Å; M108-V128 HydrophobicContact CE-CG1 4.2Å; M108-V128 HydrophobicContact SD-CB 3.8Å; M108-V128 HydrophobicContact SD-CG1 3.63Å; A124-V128 PolarHBondContact O-N 2.67Å; I125-V128 PolarHBondContact O-N 3.44Å; L126-V128 VanDerWaalsContact C-N 3.25Å; L126-V128 PolarHBondContact O-N 3.44Å; V128-L130 VanDerWaalsContact C-N 3.33Å; V128-L130 PolarHBondContact O-N 2.85Å; V128-A131 PolarHBondContact O-N 3.44Å; V128-V132 HydrophobicContact CG1-CG2 4.18Å; V128-V132 VanDerWaalsContact O-CG2 3.26Å; V128-V132 WeakPolarHBondContact O-CG2 3.34Å; V128-V132 PolarHBondContact O-N 2.88Å |
| 129 | S | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -56.4 | -43.7 | -179.8 | -170.8 | 0 | 0 | 0 | 0 | 112.7 | Q101 D105 I125 L126 V132 C133 V369 | Q101-S129 PolarHBondContact NE2-O 3.02Å; Q101-S129 PolarHBondContact NE2-OG 3.14Å; Q101-S129 VanDerWaalsContact NE2-OG 3.16Å; D105-S129 VanDerWaalsContact CG-OG 3.22Å; D105-S129 WeakPolarHBondContact OD1-CB 3.43Å; D105-S129 PolarHBondContact OD1-OG 3.38Å; D105-S129 PolarHBondContact OD2-OG 3.5Å; I125-S129 VanDerWaalsContact O-CB 3.31Å; I125-S129 WeakPolarHBondContact O-CB 3.47Å; I125-S129 PolarHBondContact O-N 3.32Å; L126-S129 WeakPolarHBondContact O-CB 3.49Å; L126-S129 PolarHBondContact O-N 2.9Å; L126-S129 VanDerWaalsContact O-N 3.07Å; S129-V132 PolarHBondContact O-N 3.07Å; S129-C133 PolarHBondContact O-N 3.28Å; S129-V369 PolarHBondContact OG-N 3.39Å |
| 130 | L | 98.9 | Very high | 98.4 | Very high | 3 Ų | 3 | 10.2 Ų | 10.2 | 2% | 0.016 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -65.7 | -44 | 176.6 | -64.4 | 179.7 | 0 | 0 | 0 | 111.9 | A47 L126 V128 V132 C133 K134 V369 F399 | A47-L130 HydrophobicContact CB-CB 3.45Å; A47-L130 VanDerWaalsContact CB-CB 3.45Å; A47-L130 HydrophobicContact CB-CD1 4.39Å; L126-L130 HydrophobicContact CD1-CD1 3.98Å; L126-L130 HydrophobicContact CD1-CD2 3.85Å; L126-L130 HydrophobicContact CD1-CG 3.67Å; L126-L130 HydrophobicContact CD2-CD1 4.44Å; L126-L130 HydrophobicContact CG-CD1 3.87Å; L126-L130 HydrophobicContact CG-CG 4.01Å; L126-L130 VanDerWaalsContact O-CG 3.27Å; L126-L130 WeakPolarHBondContact O-CG 3.45Å; L126-L130 PolarHBondContact O-N 3.42Å; V128-L130 VanDerWaalsContact C-N 3.33Å; V128-L130 PolarHBondContact O-N 2.85Å; L130-V132 VanDerWaalsContact C-N 3.35Å; L130-C133 PolarHBondContact O-N 3.14Å; L130-K134 WeakPolarHBondContact O-CG 3.25Å; L130-K134 PolarHBondContact O-N 2.88Å; L130-V369 HydrophobicContact CD2-CG2 3.77Å; L130-F399 HydrophobicContact CB-CD2 4.45Å; L130-F399 HydrophobicContact CD2-CD1 3.42Å; L130-F399 VanDerWaalsContact CD2-CD1 3.42Å; L130-F399 HydrophobicContact CD2-CD2 3.78Å; L130-F399 HydrophobicContact CD2-CE1 3.35Å; L130-F399 HydrophobicContact CD2-CE2 3.72Å; L130-F399 HydrophobicContact CD2-CG 3.64Å; L130-F399 HydrophobicContact CD2-CZ 3.52Å |
| 131 | A | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -65.1 | -38.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | V36 L38 A47 G127 V128 K134 A135 | V36-A131 HydrophobicContact CG1-CB 4.28Å; L38-A131 HydrophobicContact CB-CB 3.77Å; L38-A131 HydrophobicContact CD1-CB 4.34Å; A47-A131 HydrophobicContact CB-CB 4.06Å; G127-A131 WeakPolarHBondContact O-CB 3.48Å; G127-A131 PolarHBondContact O-N 3.1Å; V128-A131 PolarHBondContact O-N 3.44Å; A131-K134 PolarHBondContact O-N 3.02Å; A131-A135 WeakPolarHBondContact O-CB 3.48Å; A131-A135 PolarHBondContact O-N 2.96Å |
| 132 | V | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -60.1 | -47.1 | 172.3 | 172.3 | 0 | 0 | 0 | 0 | 110.5 | I17 L38 V98 I104 V128 S129 L130 K134 A135 G136 | I17-V132 HydrophobicContact CD1-CG2 4.31Å; L38-V132 HydrophobicContact CD1-CB 4.17Å; L38-V132 HydrophobicContact CD1-CG2 3.46Å; L38-V132 VanDerWaalsContact CD1-CG2 3.46Å; V98-V132 WeakPolarHBondContact O-CG1 3.21Å; I104-V132 HydrophobicContact CD1-CG1 3.63Å; I104-V132 HydrophobicContact CD1-CG2 4.37Å; I104-V132 HydrophobicContact CG2-CG1 4.49Å; I104-V132 HydrophobicContact CG2-CG2 4.07Å; V128-V132 HydrophobicContact CG1-CG2 4.18Å; V128-V132 VanDerWaalsContact O-CG2 3.26Å; V128-V132 WeakPolarHBondContact O-CG2 3.34Å; V128-V132 PolarHBondContact O-N 2.88Å; S129-V132 PolarHBondContact O-N 3.07Å; L130-V132 VanDerWaalsContact C-N 3.35Å; V132-K134 VanDerWaalsContact C-N 3.32Å; V132-K134 PolarHBondContact O-N 3.26Å; V132-A135 WeakPolarHBondContact O-CB 3.25Å; V132-A135 PolarHBondContact O-N 3.29Å; V132-A135 VanDerWaalsContact O-N 3.13Å; V132-G136 PolarHBondContact O-N 3.44Å |
| 133 | C | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -61.6 | -41.3 | -180 | -171.4 | 0 | 0 | 0 | 0 | 112 | Q101 S129 L130 G136 A137 Y147 V369 F399 | Q101-C133 VanDerWaalsContact OE1-CB 3.27Å; Q101-C133 VanDerWaalsContact OE1-N 3.08Å; S129-C133 PolarHBondContact O-N 3.28Å; L130-C133 PolarHBondContact O-N 3.14Å; C133-G136 PolarHBondContact O-N 2.82Å; C133-A137 PolarHBondContact O-N 3.24Å; C133-A137 VanDerWaalsContact O-N 3.1Å; C133-Y147 VanDerWaalsContact O-CD1 3.28Å; C133-Y147 WeakPolarHBondContact O-CD1 3.46Å; C133-Y147 WeakPolarHBondContact O-CE1 3.26Å; C133-V369 HydrophobicContact CB-CG2 4.18Å; C133-F399 HydrophobicContact CB-CE2 3.92Å; C133-F399 HydrophobicContact CB-CZ 4.33Å |
| 134 | K | 98.8 | Very high | 98.3 | Very high | 38 Ų | 38 | 21.8 Ų | 21.8 | 17% | 0.165 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -61.5 | -43.7 | 173.8 | -70.5 | 178.7 | -175.6 | -171.8 | 0 | 112.1 | F45 R46 L130 A131 V132 V138 L144 D397 | F45-K134 HydrophobicContact CB-CB 4.12Å; F45-K134 HydrophobicContact CD1-CB 4.42Å; R46-K134 WeakPolarHBondContact O-CD 3.32Å; R46-K134 WeakPolarHBondContact O-CE 3.5Å; R46-K134 PolarHBondContact O-NZ 3.11Å; L130-K134 WeakPolarHBondContact O-CG 3.25Å; L130-K134 PolarHBondContact O-N 2.88Å; A131-K134 PolarHBondContact O-N 3.02Å; V132-K134 VanDerWaalsContact C-N 3.32Å; V132-K134 PolarHBondContact O-N 3.26Å; K134-V138 PolarHBondContact O-N 3.41Å; K134-L144 HydrophobicContact CG-CD1 4.41Å; K134-L144 HydrophobicContact CG-CD2 3.98Å; K134-D397 IonicContact NZ-OD1 3.71Å; K134-D397 PolarHBondContact NZ-OD1 2.85Å; K134-D397 IonicContact NZ-OD2 3.36Å; K134-D397 PolarHBondContact NZ-OD2 3.19Å |
| 135 | A | 98.5 | Very high | 98.3 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -64.7 | -41.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | M15 L38 T40 F45 V98 A131 V132 A137 V138 H139 | M15-A135 HydrophobicContact CE-CB 4.23Å; M15-A135 WeakPolarHBondContact CE-O 3.48Å; L38-A135 HydrophobicContact CD1-CB 4.47Å; L38-A135 HydrophobicContact CD2-CB 3.91Å; T40-A135 HydrophobicContact CG2-CB 4.41Å; F45-A135 HydrophobicContact CB-CB 4.2Å; F45-A135 HydrophobicContact CD1-CB 4.22Å; F45-A135 HydrophobicContact CD2-CB 3.39Å; F45-A135 HydrophobicContact CE2-CB 3.77Å; F45-A135 HydrophobicContact CG-CB 3.64Å; F45-A135 HydrophobicContact CZ-CB 4.33Å; V98-A135 HydrophobicContact CB-CB 3.95Å; V98-A135 HydrophobicContact CG1-CB 3.97Å; V98-A135 HydrophobicContact CG2-CB 4Å; A131-A135 WeakPolarHBondContact O-CB 3.48Å; A131-A135 PolarHBondContact O-N 2.96Å; V132-A135 WeakPolarHBondContact O-CB 3.25Å; V132-A135 PolarHBondContact O-N 3.29Å; V132-A135 VanDerWaalsContact O-N 3.13Å; A135-A137 PolarHBondContact O-N 2.79Å; A135-V138 PolarHBondContact O-N 3.17Å; A135-H139 PolarHBondContact O-N 3.24Å |
| 136 | G | 98.3 | Very high | 98.2 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -60.4 | -41.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113 | V132 C133 H139 K140 | V132-G136 PolarHBondContact O-N 3.44Å; C133-G136 PolarHBondContact O-N 2.82Å; G136-H139 WeakPolarHBondContact O-CB 3.48Å; G136-H139 PolarHBondContact O-N 2.93Å; G136-K140 WeakPolarHBondContact O-CG 3.19Å; G136-K140 PolarHBondContact O-N 2.8Å |
| 137 | A | 98.4 | Very high | 98.2 | Very high | 3 Ų | 3 | 25.1 Ų | 25.1 | 3% | 0.025 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -60.5 | -47.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | C133 A135 K140 N141 V142 L144 Y147 | C133-A137 PolarHBondContact O-N 3.24Å; C133-A137 VanDerWaalsContact O-N 3.1Å; A135-A137 PolarHBondContact O-N 2.79Å; A137-K140 CarbonylContact O-C 3.52Å; A137-K140 PolarHBondContact O-N 2.89Å; A137-N141 PolarHBondContact O-N 2.96Å; A137-V142 CarbonylContact C-O 3.57Å; A137-V142 PolarHBondContact O-N 3.46Å; A137-V142 VanDerWaalsContact O-N 3.11Å; A137-L144 HydrophobicContact CB-CB 4.31Å; A137-L144 HydrophobicContact CB-CD1 3.97Å; A137-Y147 HydrophobicContact CB-CD1 3.92Å; A137-Y147 HydrophobicContact CB-CG 3.91Å; A137-Y147 VanDerWaalsContact N-CD1 3.34Å |
| 138 | V | 97.7 | Very high | 98.2 | Very high | 50 Ų | 50 | 25.1 Ų | 25.1 | 30% | 0.303 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -65.9 | -41.5 | 177.6 | 171 | 0 | 0 | 0 | 0 | 111.2 | R42 F45 K134 A135 K140 N141 | R42-V138 HydrophobicContact CB-CG1 4.34Å; R42-V138 PolarHBondContact NH1-O 3.02Å; R42-V138 PolarHBondContact NH2-O 3.24Å; F45-V138 HydrophobicContact CD1-CG2 4.37Å; F45-V138 HydrophobicContact CE1-CB 3.53Å; F45-V138 HydrophobicContact CE1-CG1 3.86Å; F45-V138 HydrophobicContact CE1-CG2 3.57Å; F45-V138 HydrophobicContact CZ-CB 3.9Å; F45-V138 HydrophobicContact CZ-CG1 3.89Å; F45-V138 HydrophobicContact CZ-CG2 4.41Å; K134-V138 PolarHBondContact O-N 3.41Å; A135-V138 PolarHBondContact O-N 3.17Å; V138-K140 VanDerWaalsContact C-N 3.29Å; V138-K140 PolarHBondContact O-N 2.91Å; V138-N141 WeakPolarHBondContact O-CA 3.24Å; V138-N141 PolarHBondContact O-N 3.14Å |
| 139 | H | 96.6 | Very high | 98.2 | Very high | 22 Ų | 22 | 25.3 Ų | 25.3 | 10% | 0.102 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -51.9 | -49.1 | 173.9 | -179.6 | 85.9 | 0 | 0 | 0 | 111.8 | A13 M15 R42 V98 T99 A135 G136 N141 | A13-H139 PolarHBondContact O-CE1 2.66Å; M15-H139 WeakPolarHBondContact CB-ND1 3.17Å; M15-H139 HydrophobicContact CE-CB 3.58Å; M15-H139 HydrophobicContact SD-CB 4.34Å; R42-H139 PolarHBondContact NH1-O 3.45Å; V98-H139 HydrophobicContact CG2-CB 4.1Å; T99-H139 HydrophobicContact CG2-CB 3.99Å; T99-H139 WeakPolarHBondContact CG2-CD2 3.41Å; A135-H139 PolarHBondContact O-N 3.24Å; G136-H139 WeakPolarHBondContact O-CB 3.48Å; G136-H139 PolarHBondContact O-N 2.93Å; H139-N141 PolarHBondContact O-N 3.34Å |
| 140 | K | 96.1 | Very high | 98.2 | Very high | 95 Ų | 95 | 30.2 Ų | 30.2 | 41% | 0.413 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -6.1 | 178.1 | -69.8 | -75.7 | -173.7 | 153.3 | 0 | 113.7 | T99 G136 A137 V138 V142 Y147 E150 | T99-K140 HydrophobicContact CG2-CD 4.43Å; T99-K140 HydrophobicContact CG2-CG 4.04Å; G136-K140 WeakPolarHBondContact O-CG 3.19Å; G136-K140 PolarHBondContact O-N 2.8Å; A137-K140 CarbonylContact O-C 3.52Å; A137-K140 PolarHBondContact O-N 2.89Å; V138-K140 VanDerWaalsContact C-N 3.29Å; V138-K140 PolarHBondContact O-N 2.91Å; K140-V142 VanDerWaalsContact C-N 3.32Å; K140-V142 HydrophobicContact CB-CG2 3.93Å; K140-V142 PolarHBondContact O-N 3.25Å; K140-Y147 HydrophobicContact CB-CD2 4.49Å; K140-Y147 HydrophobicContact CG-CD2 4.11Å; K140-Y147 HydrophobicContact CG-CE2 4.04Å; K140-E150 IonicContact NZ-OE1 2.82Å; K140-E150 PolarHBondContact NZ-OE1 3.3Å |
| 141 | N | 96.7 | Very high | 98.2 | Very high | 125 Ų | 125 | 32.6 Ų | 32.6 | 67% | 0.668 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.8 | 43.8 | -178.7 | -160.8 | 64.1 | 0 | 0 | 0 | 112.8 | R42 A137 V138 H139 | R42-N141 PolarHBondContact NH2-OD1 3.04Å; A137-N141 PolarHBondContact O-N 2.96Å; V138-N141 WeakPolarHBondContact O-CA 3.24Å; V138-N141 PolarHBondContact O-N 3.14Å; H139-N141 PolarHBondContact O-N 3.34Å |
| 142 | V | 97.6 | Very high | 98.1 | Very high | 59 Ų | 59 | 33.1 Ų | 33.1 | 36% | 0.358 | 17% | 0.17 | S | C | . | . | S | Bend | trans | -130.4 | 158 | 177 | -63 | 0 | 0 | 0 | 0 | 110.2 | A137 K140 R146 | A137-V142 CarbonylContact C-O 3.57Å; A137-V142 PolarHBondContact O-N 3.46Å; A137-V142 VanDerWaalsContact O-N 3.11Å; K140-V142 VanDerWaalsContact C-N 3.32Å; K140-V142 HydrophobicContact CB-CG2 3.93Å; K140-V142 PolarHBondContact O-N 3.25Å; V142-R146 HydrophobicContact CB-CB 4.16Å; V142-R146 HydrophobicContact CG2-CB 4.36Å |
| 143 | S | 98.1 | Very high | 98.1 | Very high | 38 Ų | 38 | 36.1 Ų | 36.1 | 27% | 0.266 | 20% | 0.201 | S | C | . | . | trans | -59.9 | 150.4 | 172 | -57 | 0 | 0 | 0 | 0 | 111.2 | Y145 R146 Y147 E435 | S143-Y145 PolarHBondContact O-N 3.19Å; S143-R146 WeakPolarHBondContact O-CB 3.14Å; S143-R146 PolarHBondContact O-N 3.34Å; S143-Y147 PolarHBondContact O-N 2.82Å; S143-Y147 VanDerWaalsContact O-N 3.07Å; S143-E435 VanDerWaalsContact OG-CD 3.25Å; S143-E435 PolarHBondContact OG-OE1 3.48Å; S143-E435 VanDerWaalsContact OG-OE1 3.07Å; S143-E435 PolarHBondContact OG-OE2 2.99Å | ||
| 144 | L | 98.8 | Very high | 97.9 | Very high | 25 Ų | 25 | 37.7 Ų | 37.7 | 13% | 0.131 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58.2 | -45.3 | -174.5 | 176.3 | 60.6 | 0 | 0 | 0 | 112.4 | K134 A137 R146 Y147 I148 F399 D402 | K134-L144 HydrophobicContact CG-CD1 4.41Å; K134-L144 HydrophobicContact CG-CD2 3.98Å; A137-L144 HydrophobicContact CB-CB 4.31Å; A137-L144 HydrophobicContact CB-CD1 3.97Å; L144-R146 PolarHBondContact O-N 2.97Å; L144-Y147 PolarHBondContact O-N 3.13Å; L144-Y147 VanDerWaalsContact O-N 3.12Å; L144-I148 HydrophobicContact CD1-CD1 4.08Å; L144-I148 HydrophobicContact CD1-CG1 4.22Å; L144-I148 HydrophobicContact CG-CD1 3.94Å; L144-I148 HydrophobicContact CG-CG1 4.5Å; L144-I148 WeakPolarHBondContact O-CG1 3.31Å; L144-I148 PolarHBondContact O-N 3.37Å; L144-F399 HydrophobicContact CD1-CE2 4.42Å; L144-F399 HydrophobicContact CD2-CD2 3.95Å; L144-F399 HydrophobicContact CD2-CE2 4.3Å; L144-D402 HydrophobicContact CB-CB 4.08Å; L144-D402 HydrophobicContact CD2-CB 3.77Å; L144-D402 HydrophobicContact CG-CB 3.75Å |
| 145 | Y | 98.6 | Very high | 97.7 | Very high | 1 Ų | 1 | 44.8 Ų | 44.8 | 0% | 0.004 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.4 | -32.9 | 176 | 74.3 | -92 | 0 | 0 | 0 | 113.2 | S143 A149 V157 D402 V405 G406 I432 E435 L436 | S143-Y145 PolarHBondContact O-N 3.19Å; Y145-A149 WeakPolarHBondContact O-CB 3.47Å; Y145-A149 PolarHBondContact O-N 2.88Å; Y145-V157 HydrophobicContact CD2-CG1 4.2Å; Y145-V157 HydrophobicContact CD2-CG2 4.38Å; Y145-V157 HydrophobicContact CE2-CG2 4.09Å; Y145-D402 WeakPolarHBondContact CB-O 3.45Å; Y145-D402 PolarHBondContact N-OD1 3.4Å; Y145-V405 HydrophobicContact CD2-CG1 3.64Å; Y145-V405 HydrophobicContact CE2-CG1 4.35Å; Y145-V405 HydrophobicContact CG-CB 4.48Å; Y145-V405 HydrophobicContact CG-CG1 4.02Å; Y145-G406 WeakPolarHBondContact O-CA 3.45Å; Y145-I432 HydrophobicContact CD1-CD1 4.22Å; Y145-I432 HydrophobicContact CD1-CG1 3.96Å; Y145-I432 HydrophobicContact CD1-CG2 3.96Å; Y145-I432 HydrophobicContact CE1-CG1 4.33Å; Y145-I432 HydrophobicContact CE1-CG2 3.98Å; Y145-I432 HydrophobicContact CG-CG2 4.28Å; Y145-E435 WeakPolarHBondContact CE1-OE2 3.48Å; Y145-E435 VanDerWaalsContact OH-CD 3.29Å; Y145-E435 PolarHBondContact OH-OE1 2.58Å; Y145-L436 HydrophobicContact CE2-CD2 4.04Å |
| 146 | R | 98.2 | Very high | 97.5 | Very high | 66 Ų | 66 | 51.6 Ų | 51.6 | 25% | 0.249 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -70.8 | -40 | 175 | -69.4 | -61.8 | -171.5 | 172.5 | 0.9 | 111.7 | V142 S143 L144 A149 E150 | V142-R146 HydrophobicContact CB-CB 4.16Å; V142-R146 HydrophobicContact CG2-CB 4.36Å; S143-R146 WeakPolarHBondContact O-CB 3.14Å; S143-R146 PolarHBondContact O-N 3.34Å; L144-R146 PolarHBondContact O-N 2.97Å; R146-A149 WeakPolarHBondContact O-CB 3.33Å; R146-A149 PolarHBondContact O-N 3.49Å; R146-E150 PolarHBondContact O-N 2.88Å |
| 147 | Y | 98.7 | Very high | 97.5 | Very high | 2 Ų | 2 | 52.1 Ų | 52.1 | 1% | 0.008 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65 | -41.5 | 175.5 | -176.5 | -120.9 | 0 | 0 | 0 | 111.8 | T99 C133 A137 K140 S143 L144 A149 E150 L151 | T99-Y147 WeakPolarHBondContact CA-OH 3.24Å; T99-Y147 PolarHBondContact O-OH 3.23Å; C133-Y147 VanDerWaalsContact O-CD1 3.28Å; C133-Y147 WeakPolarHBondContact O-CD1 3.46Å; C133-Y147 WeakPolarHBondContact O-CE1 3.26Å; A137-Y147 HydrophobicContact CB-CD1 3.92Å; A137-Y147 HydrophobicContact CB-CG 3.91Å; A137-Y147 VanDerWaalsContact N-CD1 3.34Å; K140-Y147 HydrophobicContact CB-CD2 4.49Å; K140-Y147 HydrophobicContact CG-CD2 4.11Å; K140-Y147 HydrophobicContact CG-CE2 4.04Å; S143-Y147 PolarHBondContact O-N 2.82Å; S143-Y147 VanDerWaalsContact O-N 3.07Å; L144-Y147 PolarHBondContact O-N 3.13Å; L144-Y147 VanDerWaalsContact O-N 3.12Å; Y147-A149 VanDerWaalsContact C-N 3.3Å; Y147-A149 PolarHBondContact O-N 2.9Å; Y147-E150 WeakPolarHBondContact O-CB 3.24Å; Y147-E150 PolarHBondContact O-N 3.03Å; Y147-L151 HydrophobicContact CD1-CD1 4.07Å; Y147-L151 HydrophobicContact CE1-CD1 3.66Å; Y147-L151 HydrophobicContact CE1-CG 4.2Å; Y147-L151 HydrophobicContact CE2-CD2 4.34Å; Y147-L151 HydrophobicContact CE2-CG 4.3Å; Y147-L151 WeakPolarHBondContact O-CG 3.43Å; Y147-L151 PolarHBondContact O-N 3.16Å |
| 148 | I | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.9 | -41.8 | 172.9 | -67.7 | 170.8 | 0 | 0 | 0 | 110.6 | L144 E150 L151 A152 F399 D402 L403 L407 | L144-I148 HydrophobicContact CD1-CD1 4.08Å; L144-I148 HydrophobicContact CD1-CG1 4.22Å; L144-I148 HydrophobicContact CG-CD1 3.94Å; L144-I148 HydrophobicContact CG-CG1 4.5Å; L144-I148 WeakPolarHBondContact O-CG1 3.31Å; L144-I148 PolarHBondContact O-N 3.37Å; I148-E150 VanDerWaalsContact C-N 3.35Å; I148-E150 PolarHBondContact O-N 2.85Å; I148-L151 PolarHBondContact O-N 3.39Å; I148-A152 WeakPolarHBondContact O-CB 3.32Å; I148-A152 PolarHBondContact O-N 3.01Å; I148-F399 HydrophobicContact CD1-CE1 4.47Å; I148-F399 HydrophobicContact CD1-CE2 4.18Å; I148-F399 HydrophobicContact CD1-CZ 3.93Å; I148-D402 HydrophobicContact CD1-CB 4.19Å; I148-L403 HydrophobicContact CD1-CB 4.33Å; I148-L403 HydrophobicContact CD1-CD1 4.29Å; I148-L403 HydrophobicContact CG2-CD1 3.9Å; I148-L407 HydrophobicContact CG2-CD2 4.27Å; I148-L407 HydrophobicContact CG2-CG 4.26Å |
| 149 | A | 98.3 | Very high | 97.5 | Very high | 4 Ų | 4 | 50.5 Ų | 50.5 | 3% | 0.033 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.9 | -41.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y145 R146 Y147 A152 G153 V154 V157 G406 | Y145-A149 WeakPolarHBondContact O-CB 3.47Å; Y145-A149 PolarHBondContact O-N 2.88Å; R146-A149 WeakPolarHBondContact O-CB 3.33Å; R146-A149 PolarHBondContact O-N 3.49Å; Y147-A149 VanDerWaalsContact C-N 3.3Å; Y147-A149 PolarHBondContact O-N 2.9Å; A149-A152 PolarHBondContact O-N 3.29Å; A149-G153 PolarHBondContact O-N 3.47Å; A149-V154 HydrophobicContact CB-CB 4.1Å; A149-V154 HydrophobicContact CB-CG1 4.41Å; A149-V154 PolarHBondContact O-N 2.89Å; A149-V157 HydrophobicContact CB-CG1 3.85Å; A149-G406 VanDerWaalsContact CA-O 3.25Å; A149-G406 WeakPolarHBondContact CA-O 3.33Å; A149-G406 WeakPolarHBondContact CB-O 3.46Å |
| 150 | E | 98.3 | Very high | 97.6 | Very high | 104 Ų | 104 | 49.4 Ų | 49.4 | 49% | 0.486 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -58.9 | -50.9 | 173.1 | -178.1 | -178 | 156.4 | 0 | 0 | 111.1 | K140 R146 Y147 I148 A152 G153 | K140-E150 IonicContact NZ-OE1 2.82Å; K140-E150 PolarHBondContact NZ-OE1 3.3Å; R146-E150 PolarHBondContact O-N 2.88Å; Y147-E150 WeakPolarHBondContact O-CB 3.24Å; Y147-E150 PolarHBondContact O-N 3.03Å; I148-E150 VanDerWaalsContact C-N 3.35Å; I148-E150 PolarHBondContact O-N 2.85Å; E150-A152 VanDerWaalsContact C-N 3.26Å; E150-A152 PolarHBondContact O-N 3.04Å; E150-G153 PolarHBondContact O-N 2.88Å |
| 151 | L | 98.5 | Very high | 97.7 | Very high | 53 Ų | 53 | 44.9 Ų | 44.9 | 28% | 0.277 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -58.9 | -36.8 | 178.2 | -69.1 | 176.1 | 0 | 0 | 0 | 112.6 | Q101 Y147 I148 I373 | Q101-L151 HydrophobicContact CB-CD1 4.08Å; Q101-L151 HydrophobicContact CB-CD2 3.99Å; Q101-L151 HydrophobicContact CG-CD1 4Å; Y147-L151 HydrophobicContact CD1-CD1 4.07Å; Y147-L151 HydrophobicContact CE1-CD1 3.66Å; Y147-L151 HydrophobicContact CE1-CG 4.2Å; Y147-L151 HydrophobicContact CE2-CD2 4.34Å; Y147-L151 HydrophobicContact CE2-CG 4.3Å; Y147-L151 WeakPolarHBondContact O-CG 3.43Å; Y147-L151 PolarHBondContact O-N 3.16Å; I148-L151 PolarHBondContact O-N 3.39Å; L151-I373 HydrophobicContact CB-CD1 3.81Å; L151-I373 HydrophobicContact CD1-CD1 4.46Å |
| 152 | A | 98 | Very high | 97.8 | Very high | 11 Ų | 11 | 39 Ų | 39 | 9% | 0.091 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -86.7 | -7.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | I148 A149 E150 V154 I373 Q377 L407 | I148-A152 WeakPolarHBondContact O-CB 3.32Å; I148-A152 PolarHBondContact O-N 3.01Å; A149-A152 PolarHBondContact O-N 3.29Å; E150-A152 VanDerWaalsContact C-N 3.26Å; E150-A152 PolarHBondContact O-N 3.04Å; A152-V154 VanDerWaalsContact C-N 3.31Å; A152-V154 HydrophobicContact CB-CG2 3.98Å; A152-I373 HydrophobicContact CB-CG2 3.93Å; A152-Q377 PolarHBondContact O-NE2 3.06Å; A152-L407 HydrophobicContact CB-CD2 3.61Å |
| 153 | G | 97.4 | Very high | 97.9 | Very high | 63 Ų | 63 | 36.1 Ų | 36.1 | 65% | 0.649 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 71.4 | 22.6 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | A149 E150 | A149-G153 PolarHBondContact O-N 3.47Å; E150-G153 PolarHBondContact O-N 2.88Å |
| 154 | V | 96.4 | Very high | 97.9 | Very high | 33 Ų | 33 | 34.3 Ų | 34.3 | 20% | 0.2 | 18% | 0.184 | C | C | . | . | trans | -87.9 | 124.6 | 179.6 | 173.6 | 0 | 0 | 0 | 0 | 109.9 | A149 A152 N156 G406 A408 | A149-V154 HydrophobicContact CB-CB 4.1Å; A149-V154 HydrophobicContact CB-CG1 4.41Å; A149-V154 PolarHBondContact O-N 2.89Å; A152-V154 VanDerWaalsContact C-N 3.31Å; A152-V154 HydrophobicContact CB-CG2 3.98Å; V154-N156 WeakPolarHBondContact CG1-O 3.28Å; V154-G406 WeakPolarHBondContact CB-O 3.3Å; V154-A408 HydrophobicContact CG1-CB 3.72Å | ||
| 155 | K | 93.7 | Very high | 97.9 | Very high | 186 Ų | 186 | 33.1 Ų | 33.1 | 81% | 0.809 | 18% | 0.178 | S | C | * | . | S | Bend | trans | -88.3 | -50 | 179.7 | -65.2 | -177.8 | 179.4 | 179.4 | 0 | 112.9 | ||
| 156 | N | 94.9 | Very high | 97.9 | Very high | 143 Ų | 143 | 33.1 Ų | 33.1 | 77% | 0.765 | 18% | 0.178 | S | C | * | . | S | Bend | trans | -105.6 | 113.2 | -178 | -61.3 | -45.5 | 0 | 0 | 0 | 108.3 | V154 | V154-N156 WeakPolarHBondContact CG1-O 3.28Š|
| 157 | V | 97 | Very high | 97.9 | Very high | 12 Ų | 12 | 30 Ų | 30 | 7% | 0.073 | 17% | 0.166 | C | C | . | . | trans | -78.7 | 160.2 | 173.1 | -61.6 | 0 | 0 | 0 | 0 | 110.4 | Y145 A149 V405 L436 | Y145-V157 HydrophobicContact CD2-CG1 4.2Å; Y145-V157 HydrophobicContact CD2-CG2 4.38Å; Y145-V157 HydrophobicContact CE2-CG2 4.09Å; A149-V157 HydrophobicContact CB-CG1 3.85Å; V157-V405 HydrophobicContact CB-CG1 3.79Å; V157-V405 WeakPolarHBondContact CB-O 3.5Å; V157-V405 HydrophobicContact CG1-CG1 4.41Å; V157-V405 HydrophobicContact CG2-CG1 4.16Å; V157-L436 HydrophobicContact CG2-CD1 4.17Å; V157-L436 HydrophobicContact CG2-CD2 3.77Å | ||
| 158 | I | 97.9 | Very high | 97.8 | Very high | 17 Ų | 17 | 29.9 Ų | 29.9 | 9% | 0.087 | 17% | 0.165 | C | C | . | . | trans | -144.9 | 144.3 | 178.2 | -158.9 | 171.3 | 0 | 0 | 0 | 110.8 | A408 K443 A445 P452 | I158-A408 HydrophobicContact CG2-CB 3.93Å; I158-K443 HydrophobicContact CG1-CB 4.14Å; I158-K443 VanDerWaalsContact CG1-O 3.22Å; I158-K443 WeakPolarHBondContact CG1-O 3.39Å; I158-A445 HydrophobicContact CD1-CB 3.92Å; I158-A445 HydrophobicContact CG1-CB 4.4Å; I158-P452 HydrophobicContact CD1-CB 3.42Å; I158-P452 VanDerWaalsContact CD1-CB 3.42Å; I158-P452 HydrophobicContact CG1-CB 4.47Å; I158-P452 HydrophobicContact CG2-CB 3.82Å; I158-P452 HydrophobicContact CG2-CG 4.08Å | ||
| 159 | L | 98.6 | Very high | 97.8 | Very high | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | B | Isolated β-bridge | trans | -77.1 | 135.5 | 172.6 | -66.7 | 160.1 | 0 | 0 | 0 | 110 | F192 V405 I432 E433 L436 A442 K443 Y444 A445 | L159-F192 HydrophobicContact CB-CB 4.15Å; L159-F192 HydrophobicContact CD1-CB 4.18Å; L159-V405 HydrophobicContact CD2-CG2 4.3Å; L159-I432 HydrophobicContact CD2-CG2 4.2Å; L159-E433 HydrophobicContact CD1-CB 3.65Å; L159-E433 HydrophobicContact CD1-CG 3.6Å; L159-E433 HydrophobicContact CD2-CB 4.02Å; L159-E433 HydrophobicContact CG-CB 4.5Å; L159-L436 HydrophobicContact CD2-CD1 4.29Å; L159-L436 HydrophobicContact CG-CD1 4.18Å; L159-A442 HydrophobicContact CD1-CB 4.49Å; L159-K443 WeakPolarHBondContact CB-O 3.48Å; L159-K443 PolarHBondContact N-O 3.32Å; L159-Y444 HydrophobicContact CB-CD2 4.36Å; L159-A445 WeakPolarHBondContact O-CB 3.18Å; L159-A445 PolarHBondContact O-N 3.22Å |
| 160 | P | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.164 | C | C | . | . | P | Polyproline II helix | trans | -83.6 | 154.8 | -172.7 | 35.9 | -39.1 | 0 | 0 | 0 | 112.8 | P162 F192 V404 G410 I412 L429 Y444 | P160-P162 WeakPolarHBondContact O-CD 3.22Å; P160-F192 WeakPolarHBondContact O-CD2 3.38Å; P160-V404 HydrophobicContact CB-CG1 4.27Å; P160-V404 HydrophobicContact CB-CG2 3.62Å; P160-V404 HydrophobicContact CG-CG1 3.72Å; P160-V404 HydrophobicContact CG-CG2 4.03Å; P160-G410 CarbonylContact C-O 3.47Å; P160-G410 WeakPolarHBondContact CA-O 3.29Å; P160-I412 HydrophobicContact CB-CB 4.11Å; P160-I412 HydrophobicContact CB-CG2 3.88Å; P160-I412 HydrophobicContact CG-CB 4.06Å; P160-I412 HydrophobicContact CG-CG2 3.55Å; P160-L429 HydrophobicContact CG-CD1 3.9Å; P160-L429 HydrophobicContact CG-CD2 3.99Å; P160-Y444 WeakPolarHBondContact O-CE2 2.99Å |
| 161 | V | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 122.7 | 160.8 | 177.3 | 0 | 0 | 0 | 0 | 109.2 | M185 V187 G410 Q411 I412 Y444 A445 G446 F449 | V161-M185 HydrophobicContact CG1-CB 4.24Å; V161-M185 HydrophobicContact CG1-CE 4.11Å; V161-V187 HydrophobicContact CG1-CG1 4.14Å; V161-G410 PolarHBondContact N-O 2.76Å; V161-Q411 WeakPolarHBondContact O-CA 3.42Å; V161-I412 PolarHBondContact O-N 3Å; V161-Y444 HydrophobicContact CB-CE2 4.44Å; V161-Y444 HydrophobicContact CG2-CE1 4.09Å; V161-Y444 HydrophobicContact CG2-CE2 3.98Å; V161-Y444 WeakPolarHBondContact CG2-OH 3.39Å; V161-A445 HydrophobicContact CG2-CB 4.15Å; V161-G446 WeakPolarHBondContact CG2-O 3.35Å; V161-F449 HydrophobicContact CB-CB 4.11Å; V161-F449 HydrophobicContact CG2-CB 3.72Å |
| 162 | P | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 130 | 173.7 | 30.6 | -33.8 | 0 | 0 | 0 | 110.9 | P160 F164 P186 F192 A195 I412 Y426 | P160-P162 WeakPolarHBondContact O-CD 3.22Å; P162-F164 HydrophobicContact CB-CD1 4.42Å; P162-F164 HydrophobicContact CB-CD2 4.37Å; P162-F164 HydrophobicContact CB-CE1 3.89Å; P162-F164 HydrophobicContact CB-CE2 3.86Å; P162-F164 HydrophobicContact CB-CZ 3.59Å; P162-F164 HydrophobicContact CG-CD2 4.29Å; P162-F164 HydrophobicContact CG-CE1 4.19Å; P162-F164 HydrophobicContact CG-CE2 3.44Å; P162-F164 VanDerWaalsContact CG-CE2 3.44Å; P162-F164 HydrophobicContact CG-CZ 3.36Å; P162-P186 HydrophobicContact CG-CG 3.89Å; P162-P186 WeakPolarHBondContact O-CD 3.5Å; P162-F192 HydrophobicContact CB-CE2 4.3Å; P162-F192 HydrophobicContact CG-CE2 4.09Å; P162-A195 HydrophobicContact CG-CB 4.18Å; P162-I412 CarbonylContact C-O 3.6Å; P162-I412 WeakPolarHBondContact CA-O 2.96Å; P162-I412 HydrophobicContact CB-CG2 4.33Å; P162-Y426 HydrophobicContact CB-CD1 4.46Å; P162-Y426 HydrophobicContact CB-CE1 3.66Å |
| 163 | A | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 104.6 | 162.5 | 0 | 0 | 0 | 0 | 0 | 107.7 | N165 M183 L184 M185 M387 I412 K413 | A163-N165 PolarHBondContact O-OD1 3.29Å; A163-M183 HydrophobicContact CB-CB 4.4Å; A163-M183 HydrophobicContact CB-SD 3.71Å; A163-L184 WeakPolarHBondContact CA-O 3.42Å; A163-M185 HydrophobicContact CB-CG 4.15Å; A163-M387 HydrophobicContact CB-CE 4.45Å; A163-M387 HydrophobicContact CB-SD 4.48Å; A163-I412 PolarHBondContact N-O 2.79Å; A163-K413 HydrophobicContact CB-CB 4.31Å |
| 164 | F | 98.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 113.6 | -177.9 | -63 | -71.9 | 0 | 0 | 0 | 110.8 | P162 V166 M183 L184 P186 M196 G415 P417 Y426 | P162-F164 HydrophobicContact CB-CD1 4.42Å; P162-F164 HydrophobicContact CB-CD2 4.37Å; P162-F164 HydrophobicContact CB-CE1 3.89Å; P162-F164 HydrophobicContact CB-CE2 3.86Å; P162-F164 HydrophobicContact CB-CZ 3.59Å; P162-F164 HydrophobicContact CG-CD2 4.29Å; P162-F164 HydrophobicContact CG-CE1 4.19Å; P162-F164 HydrophobicContact CG-CE2 3.44Å; P162-F164 VanDerWaalsContact CG-CE2 3.44Å; P162-F164 HydrophobicContact CG-CZ 3.36Å; F164-V166 HydrophobicContact CB-CG1 3.89Å; F164-V166 WeakPolarHBondContact O-CG1 3.16Å; F164-V166 PolarHBondContact O-N 3.25Å; F164-M183 CarbonylContact O-C 3.57Å; F164-M183 WeakPolarHBondContact O-CA 3.27Å; F164-L184 HydrophobicContact CB-CB 4.31Å; F164-L184 HydrophobicContact CD2-CB 4.33Å; F164-L184 PolarHBondContact N-O 2.84Å; F164-L184 PolarHBondContact O-N 3.34Å; F164-P186 HydrophobicContact CE2-CG 4.05Å; F164-M196 HydrophobicContact CE1-CE 4.1Å; F164-M196 HydrophobicContact CE1-SD 3.63Å; F164-M196 HydrophobicContact CZ-CE 4.32Å; F164-M196 HydrophobicContact CZ-SD 3.53Å; F164-M196 VanDerWaalsContact CZ-SD 3.53Å; F164-G415 WeakPolarHBondContact CA-O 3.49Å; F164-P417 HydrophobicContact CD1-CB 4.16Å; F164-P417 HydrophobicContact CD1-CG 4.3Å; F164-P417 HydrophobicContact CE1-CB 4.13Å; F164-Y426 HydrophobicContact CD1-CE1 4.14Å; F164-Y426 AromaticContact CD1-CE2 3.89Å; F164-Y426 HydrophobicContact CD1-CE2 3.89Å; F164-Y426 AromaticContact CD1-CZ 3.48Å; F164-Y426 VanDerWaalsContact CD1-CZ 3.48Å; F164-Y426 VanDerWaalsContact CD1-OH 3.23Å; F164-Y426 WeakPolarHBondContact CD1-OH 3.48Å; F164-Y426 HydrophobicContact CE1-CD1 4.22Å; F164-Y426 HydrophobicContact CE1-CD2 4.36Å; F164-Y426 AromaticContact CE1-CE1 3.64Å; F164-Y426 HydrophobicContact CE1-CE1 3.64Å; F164-Y426 AromaticContact CE1-CE2 3.8Å; F164-Y426 HydrophobicContact CE1-CE2 3.8Å; F164-Y426 AromaticContact CE1-CZ 3.4Å; F164-Y426 VanDerWaalsContact CE1-CZ 3.4Å; F164-Y426 HydrophobicContact CZ-CE1 4.46Å |
| 165 | N | 97.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 96.5 | 179.3 | -48.8 | -3.7 | 0 | 0 | 0 | 108.7 | A163 E181 M183 E224 G226 H390 K413 G415 A416 | A163-N165 PolarHBondContact O-OD1 3.29Å; N165-E181 VanDerWaalsContact CG-OE2 3.29Å; N165-E181 PolarHBondContact ND2-OE2 3.12Å; N165-M183 HydrophobicContact CB-CG 4.31Å; N165-M183 WeakPolarHBondContact OD1-CG 3.09Å; N165-M183 PolarHBondContact OD1-SD 3.01Å; N165-E224 HydrophobicContact CB-CB 4.41Å; N165-E224 PolarHBondContact ND2-OE2 3.39Å; N165-G226 VanDerWaalsContact O-CA 3.27Å; N165-G226 WeakPolarHBondContact O-CA 3.15Å; N165-G226 PolarHBondContact O-N 3.02Å; N165-H390 PolarHBondContact ND2-NE2 2.87Å; N165-H390 VanDerWaalsContact ND2-NE2 3.16Å; N165-K413 WeakPolarHBondContact ND2-CE 3.24Å; N165-G415 PolarHBondContact N-O 3.17Å; N165-G415 VanDerWaalsContact N-O 3.16Å; N165-A416 WeakPolarHBondContact O-CA 3.41Å; N165-A416 WeakPolarHBondContact O-CB 3.31Å; N165-A416 PolarHBondContact O-N 3.25Å |
| 166 | V | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | -14.9 | -168.2 | -66.8 | 0 | 0 | 0 | 0 | 114.3 | F164 F182 L184 Y203 L206 G226 F227 L241 | F164-V166 HydrophobicContact CB-CG1 3.89Å; F164-V166 WeakPolarHBondContact O-CG1 3.16Å; F164-V166 PolarHBondContact O-N 3.25Å; V166-F182 WeakPolarHBondContact CG2-O 3.39Å; V166-F182 PolarHBondContact N-O 3.44Å; V166-L184 HydrophobicContact CB-CD1 4.46Å; V166-L184 HydrophobicContact CG1-CD1 3.76Å; V166-L184 HydrophobicContact CG1-CG 4.11Å; V166-L184 HydrophobicContact CG2-CD1 4.04Å; V166-L184 HydrophobicContact CG2-CD2 4.33Å; V166-L184 HydrophobicContact CG2-CG 3.71Å; V166-Y203 HydrophobicContact CB-CD2 4.06Å; V166-Y203 HydrophobicContact CG1-CD2 3.72Å; V166-L206 HydrophobicContact CB-CD2 3.79Å; V166-L206 HydrophobicContact CG2-CD2 3.78Å; V166-G226 VanDerWaalsContact C-CA 3.48Å; V166-G226 CarbonylContact O-C 3.57Å; V166-G226 WeakPolarHBondContact O-CA 3.34Å; V166-F227 WeakPolarHBondContact O-CD2 3.42Å; V166-F227 PolarHBondContact O-N 3.08Å; V166-L241 HydrophobicContact CG2-CD2 3.51Å |
| 167 | I | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 128.8 | 166.3 | -58.4 | 175.5 | 0 | 0 | 0 | 107.5 | L177 E181 F182 L206 F227 P229 A237 L240 L241 | I167-L177 HydrophobicContact CG2-CD2 3.94Å; I167-E181 WeakPolarHBondContact O-CA 3.27Å; I167-F182 HydrophobicContact CB-CB 4.1Å; I167-F182 HydrophobicContact CB-CD2 4.11Å; I167-F182 HydrophobicContact CB-CG 4.42Å; I167-F182 HydrophobicContact CG2-CD2 4.08Å; I167-F182 PolarHBondContact N-O 2.8Å; I167-F182 PolarHBondContact O-N 2.81Å; I167-L206 HydrophobicContact CD1-CD1 4.35Å; I167-L206 HydrophobicContact CD1-CD2 4.4Å; I167-L206 HydrophobicContact CG1-CD2 3.95Å; I167-F227 CarbonylContact C-O 3.55Å; I167-F227 VanDerWaalsContact CA-O 3.26Å; I167-F227 WeakPolarHBondContact CA-O 2.92Å; I167-P229 HydrophobicContact CG2-CG 4.42Å; I167-A237 HydrophobicContact CD1-CB 3.97Å; I167-A237 HydrophobicContact CG2-CB 4.38Å; I167-L240 HydrophobicContact CD1-CB 4.35Å; I167-L240 HydrophobicContact CD1-CD1 4.39Å; I167-L241 HydrophobicContact CD1-CD2 3.76Å; I167-L241 HydrophobicContact CD1-CG 4.05Å; I167-L241 HydrophobicContact CG1-CD2 4.13Å |
| 168 | N | 97.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 140.1 | 175.9 | -67.3 | 136.2 | 0 | 0 | 0 | 111.2 | H172 A173 N175 Q180 G226 F227 | N168-H172 HydrophobicContact CB-CB 4.37Å; N168-A173 HydrophobicContact CB-CB 3.98Å; N168-A173 WeakPolarHBondContact O-CB 3.42Å; N168-N175 PolarHBondContact O-ND2 2.89Å; N168-Q180 CarbonylContact C-O 3.59Å; N168-Q180 WeakPolarHBondContact CA-O 3.2Å; N168-G226 VanDerWaalsContact OD1-CA 3.27Å; N168-G226 WeakPolarHBondContact OD1-CA 3.38Å; N168-G226 PolarHBondContact OD1-N 3.27Å; N168-G226 PolarHBondContact OD1-O 2.89Å; N168-F227 PolarHBondContact N-O 2.91Å |
| 169 | G | 97.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 10% | 0.096 | C | C | . | . | trans | -135.7 | -149.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | H172 A173 N175 M179 Q180 | G169-H172 PolarHBondContact O-N 3.31Å; G169-H172 VanDerWaalsContact O-N 3.13Å; G169-A173 PolarHBondContact O-N 2.55Å; G169-N175 WeakPolarHBondContact CA-OD1 3.2Å; G169-M179 VanDerWaalsContact CA-O 3.29Å; G169-M179 WeakPolarHBondContact CA-O 3.49Å; G169-Q180 PolarHBondContact N-O 2.99Å | ||
| 170 | G | 95.7 | Very high | 96.7 | Very high | 1 Ų | 1 | 14.1 Ų | 14.1 | 1% | 0.01 | 10% | 0.098 | C | C | . | . | G | 310 helix | trans | 50.6 | -143.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | H172 A173 L177 A178 K280 | G170-H172 PolarHBondContact O-N 3.13Å; G170-A173 VanDerWaalsContact O-O 3.14Å; G170-L177 PolarHBondContact N-O 3.38Å; G170-A178 VanDerWaalsContact CA-O 3.27Å; G170-A178 WeakPolarHBondContact CA-O 3.24Å; G170-A178 PolarHBondContact N-O 2.86Å; G170-K280 WeakPolarHBondContact O-CE 3.46Å; G170-K280 PolarHBondContact O-NZ 2.8Å |
| 171 | S | 93.8 | Very high | 96.7 | Very high | 48 Ų | 48 | 14.2 Ų | 14.2 | 34% | 0.336 | 10% | 0.098 | S | C | . | . | G | 310 helix | trans | -74 | -6.7 | 179.5 | -68.8 | 0 | 0 | 0 | 0 | 113.7 | E264 | S171-E264 PolarHBondContact OG-OE2 3Š|
| 172 | H | 92.8 | Very high | 96.7 | Very high | 10 Ų | 10 | 14.2 Ų | 14.2 | 5% | 0.046 | 10% | 0.098 | C | C | . | . | G | 310 helix | trans | -91.6 | -5.6 | -179.4 | -66.1 | 177.2 | 0 | 0 | 0 | 113.9 | N168 G169 G170 Q180 E181 G222 D223 E224 | N168-H172 HydrophobicContact CB-CB 4.37Å; G169-H172 PolarHBondContact O-N 3.31Å; G169-H172 VanDerWaalsContact O-N 3.13Å; G170-H172 PolarHBondContact O-N 3.13Å; H172-Q180 HydrophobicContact CB-CG 4.11Å; H172-Q180 VanDerWaalsContact CE1-CD 3.49Å; H172-Q180 PolarHBondContact CE1-NE2 3.3Å; H172-Q180 VanDerWaalsContact CE1-NE2 3.3Å; H172-Q180 WeakPolarHBondContact ND1-CG 3.43Å; H172-E181 IonicContact CE1-OE1 3.69Å; H172-E181 PolarHBondContact CE1-OE1 2.86Å; H172-E181 IonicContact ND1-OE1 3.14Å; H172-E181 PolarHBondContact ND1-OE1 3.33Å; H172-G222 VanDerWaalsContact O-CA 3.29Å; H172-G222 WeakPolarHBondContact O-CA 3.35Å; H172-D223 HydrophobicContact CB-CB 4.42Å; H172-D223 PolarHBondContact O-N 3.17Å; H172-E224 IonicContact CE1-OE1 3.06Å; H172-E224 PolarHBondContact CE1-OE1 3.44Å; H172-E224 IonicContact ND1-OE1 3.92Å; H172-E224 IonicContact ND1-OE2 3.18Å |
| 173 | A | 94.6 | Very high | 96.7 | Very high | 14 Ų | 14 | 14.3 Ų | 14.3 | 12% | 0.116 | 10% | 0.098 | C | C | . | . | trans | -149.2 | 147.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | N168 G169 G170 N175 A228 K280 | N168-A173 HydrophobicContact CB-CB 3.98Å; N168-A173 WeakPolarHBondContact O-CB 3.42Å; G169-A173 PolarHBondContact O-N 2.55Å; G170-A173 VanDerWaalsContact O-O 3.14Å; A173-N175 PolarHBondContact O-N 3.37Å; A173-A228 HydrophobicContact CB-CB 3.76Å; A173-K280 PolarHBondContact O-NZ 3Å | ||
| 174 | G | 92.3 | Very high | 96.7 | Very high | 92 Ų | 92 | 14.3 Ų | 14.3 | 95% | 0.948 | 10% | 0.098 | S | C | * | . | S | Bend | trans | -79.9 | 10.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 175 | N | 94.3 | Very high | 96.7 | Very high | 10 Ų | 10 | 14.3 Ų | 14.3 | 5% | 0.053 | 10% | 0.098 | C | C | . | . | S | Bend | trans | -86 | 179 | 177.6 | 63.2 | 11.3 | 0 | 0 | 0 | 112 | N168 G169 A173 L177 P229 K280 | N168-N175 PolarHBondContact O-ND2 2.89Å; G169-N175 WeakPolarHBondContact CA-OD1 3.2Å; A173-N175 PolarHBondContact O-N 3.37Å; N175-L177 PolarHBondContact OD1-N 2.7Å; N175-P229 WeakPolarHBondContact CB-O 3.36Å; N175-P229 PolarHBondContact ND2-O 2.68Å; N175-K280 WeakPolarHBondContact O-CD 3.22Å; N175-K280 WeakPolarHBondContact O-CE 3.23Å; N175-K280 PolarHBondContact O-NZ 3.44Å |
| 176 | K | 94.4 | Very high | 96.7 | Very high | 113 Ų | 113 | 14.3 Ų | 14.3 | 49% | 0.491 | 10% | 0.098 | S | C | . | . | S | Bend | trans | -81.3 | -8.2 | 179 | -69.4 | -176.1 | 177.4 | -170.4 | 0 | 115.4 | A178 N230 P232 | K176-A178 PolarHBondContact O-N 3.12Å; K176-N230 WeakPolarHBondContact CG-OD1 3.4Å; K176-P232 HydrophobicContact CB-CB 4.12Å |
| 177 | L | 96.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 10% | 0.099 | C | C | . | . | trans | -65.8 | 123.9 | -176 | -171.2 | 56.9 | 0 | 0 | 0 | 109.8 | I167 G170 N175 F182 I231 P234 A237 K280 | I167-L177 HydrophobicContact CG2-CD2 3.94Å; G170-L177 PolarHBondContact N-O 3.38Å; N175-L177 PolarHBondContact OD1-N 2.7Å; L177-F182 HydrophobicContact CD1-CE2 4.24Å; L177-F182 HydrophobicContact CD1-CZ 4.21Å; L177-F182 HydrophobicContact CD2-CD2 4.1Å; L177-F182 HydrophobicContact CD2-CE2 3.42Å; L177-F182 VanDerWaalsContact CD2-CE2 3.42Å; L177-F182 HydrophobicContact CD2-CZ 4.16Å; L177-F182 HydrophobicContact CG-CE2 4.01Å; L177-F182 HydrophobicContact CG-CZ 4.47Å; L177-I231 WeakPolarHBondContact CB-O 3.22Å; L177-I231 HydrophobicContact CD2-CG1 4.41Å; L177-P234 HydrophobicContact CD1-CB 4.39Å; L177-P234 HydrophobicContact CD1-CG 4.11Å; L177-A237 HydrophobicContact CD2-CB 4.34Å; L177-K280 PolarHBondContact O-NZ 2.88Å; L177-K280 VanDerWaalsContact O-NZ 3.16Å | ||
| 178 | A | 96.8 | Very high | 96.7 | Very high | 2 Ų | 2 | 15.8 Ų | 15.8 | 2% | 0.017 | 11% | 0.113 | C | C | . | . | trans | -76.3 | -45.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | G170 K176 F265 L277 F279 | G170-A178 VanDerWaalsContact CA-O 3.27Å; G170-A178 WeakPolarHBondContact CA-O 3.24Å; G170-A178 PolarHBondContact N-O 2.86Å; K176-A178 PolarHBondContact O-N 3.12Å; A178-F265 HydrophobicContact CB-CD1 4.29Å; A178-F265 HydrophobicContact CB-CE1 4.44Å; A178-L277 HydrophobicContact CB-CB 4.26Å; A178-L277 HydrophobicContact CB-CD2 4.11Å; A178-L277 WeakPolarHBondContact CB-O 3.46Å; A178-F279 HydrophobicContact CB-CD1 4.22Å; A178-F279 HydrophobicContact CB-CE1 4.2Å | ||
| 179 | M | 97.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -68.1 | 134.4 | 178.7 | -61.5 | -176.6 | 179 | 0 | 0 | 110.2 | G169 F182 P234 M258 V260 L298 Y299 Y302 | G169-M179 VanDerWaalsContact CA-O 3.29Å; G169-M179 WeakPolarHBondContact CA-O 3.49Å; M179-F182 HydrophobicContact CB-CE2 4Å; M179-F182 HydrophobicContact CB-CZ 3.83Å; M179-F182 HydrophobicContact SD-CZ 4.42Å; M179-P234 HydrophobicContact CE-CB 4.31Å; M179-P234 HydrophobicContact CE-CG 3.93Å; M179-P234 HydrophobicContact CG-CB 4.41Å; M179-P234 HydrophobicContact CG-CG 3.98Å; M179-P234 HydrophobicContact SD-CB 3.61Å; M179-P234 HydrophobicContact SD-CG 3.64Å; M179-M258 HydrophobicContact SD-CE 3.31Å; M179-M258 WeakPolarHBondContact SD-CE 3.25Å; M179-V260 HydrophobicContact CG-CG1 4.31Å; M179-V260 HydrophobicContact SD-CG2 4.4Å; M179-L298 HydrophobicContact CE-CD2 4.09Å; M179-Y299 HydrophobicContact CE-CE1 3.84Å; M179-Y302 HydrophobicContact CE-CE2 3.81Å; M179-Y302 HydrophobicContact SD-CE2 4.18Å |
| 180 | Q | 97.7 | Very high | 96.8 | Very high | 7 Ų | 7 | 21.3 Ų | 21.3 | 3% | 0.033 | 15% | 0.15 | C | C | . | . | trans | -75.3 | -40.2 | -163.9 | -167 | 162.4 | -99.3 | 0 | 0 | 113.4 | N168 G169 H172 D259 V260 A261 | N168-Q180 CarbonylContact C-O 3.59Å; N168-Q180 WeakPolarHBondContact CA-O 3.2Å; G169-Q180 PolarHBondContact N-O 2.99Å; H172-Q180 HydrophobicContact CB-CG 4.11Å; H172-Q180 VanDerWaalsContact CE1-CD 3.49Å; H172-Q180 PolarHBondContact CE1-NE2 3.3Å; H172-Q180 VanDerWaalsContact CE1-NE2 3.3Å; H172-Q180 WeakPolarHBondContact ND1-CG 3.43Å; Q180-D259 PolarHBondContact N-O 2.8Å; Q180-D259 PolarHBondContact NE2-OD2 2.83Å; Q180-D259 VanDerWaalsContact NE2-OD2 3.16Å; Q180-V260 PolarHBondContact N-O 3.2Å; Q180-A261 HydrophobicContact CB-CB 3.78Å; Q180-A261 HydrophobicContact CG-CB 4.36Å | ||
| 181 | E | 98 | Very high | 96.9 | Very high | 2 Ų | 2 | 22.4 Ų | 22.4 | 1% | 0.009 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 140.8 | -172 | -41.4 | 170.9 | -175.2 | 0 | 0 | 112.9 | N165 I167 H172 E224 M258 D259 K413 | N165-E181 VanDerWaalsContact CG-OE2 3.29Å; N165-E181 PolarHBondContact ND2-OE2 3.12Å; I167-E181 WeakPolarHBondContact O-CA 3.27Å; H172-E181 IonicContact CE1-OE1 3.69Å; H172-E181 PolarHBondContact CE1-OE1 2.86Å; H172-E181 IonicContact ND1-OE1 3.14Å; H172-E181 PolarHBondContact ND1-OE1 3.33Å; E181-E224 VanDerWaalsContact OE1-CD 3.32Å; E181-M258 WeakPolarHBondContact O-CA 3.3Å; E181-D259 HydrophobicContact CB-CB 3.89Å; E181-D259 HydrophobicContact CG-CB 3.98Å; E181-D259 PolarHBondContact N-O 2.75Å; E181-D259 PolarHBondContact O-N 3.07Å; E181-K413 IonicContact OE1-NZ 3.89Å; E181-K413 WeakPolarHBondContact OE2-CE 3.15Å; E181-K413 IonicContact OE2-NZ 2.85Å; E181-K413 PolarHBondContact OE2-NZ 3.08Å |
| 182 | F | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 124.9 | 171.6 | -55 | -109.8 | 0 | 0 | 0 | 108.3 | V166 I167 L177 M179 P234 A237 L238 L241 M258 | V166-F182 WeakPolarHBondContact CG2-O 3.39Å; V166-F182 PolarHBondContact N-O 3.44Å; I167-F182 HydrophobicContact CB-CB 4.1Å; I167-F182 HydrophobicContact CB-CD2 4.11Å; I167-F182 HydrophobicContact CB-CG 4.42Å; I167-F182 HydrophobicContact CG2-CD2 4.08Å; I167-F182 PolarHBondContact N-O 2.8Å; I167-F182 PolarHBondContact O-N 2.81Å; L177-F182 HydrophobicContact CD1-CE2 4.24Å; L177-F182 HydrophobicContact CD1-CZ 4.21Å; L177-F182 HydrophobicContact CD2-CD2 4.1Å; L177-F182 HydrophobicContact CD2-CE2 3.42Å; L177-F182 VanDerWaalsContact CD2-CE2 3.42Å; L177-F182 HydrophobicContact CD2-CZ 4.16Å; L177-F182 HydrophobicContact CG-CE2 4.01Å; L177-F182 HydrophobicContact CG-CZ 4.47Å; M179-F182 HydrophobicContact CB-CE2 4Å; M179-F182 HydrophobicContact CB-CZ 3.83Å; M179-F182 HydrophobicContact SD-CZ 4.42Å; F182-P234 HydrophobicContact CE1-CB 4.16Å; F182-P234 HydrophobicContact CZ-CB 3.86Å; F182-A237 HydrophobicContact CD1-CB 3.84Å; F182-A237 HydrophobicContact CD2-CB 4.04Å; F182-A237 HydrophobicContact CE1-CB 3.68Å; F182-A237 HydrophobicContact CE2-CB 3.96Å; F182-A237 HydrophobicContact CG-CB 4.02Å; F182-A237 HydrophobicContact CZ-CB 3.75Å; F182-L238 HydrophobicContact CD1-CD2 3.84Å; F182-L238 HydrophobicContact CD1-CG 4.08Å; F182-L238 HydrophobicContact CE1-CD2 4.18Å; F182-L238 HydrophobicContact CE1-CG 3.99Å; F182-L241 HydrophobicContact CB-CD1 3.67Å; F182-M258 HydrophobicContact CD1-CE 4.3Å; F182-M258 HydrophobicContact CD1-CG 4.2Å; F182-M258 HydrophobicContact CE1-CE 3.71Å; F182-M258 HydrophobicContact CE1-SD 4.48Å; F182-M258 HydrophobicContact CZ-CE 4.28Å |
| 183 | M | 98.8 | Very high | 97.4 | Very high | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 146.5 | -164.2 | -65.6 | 177.8 | -90.5 | 0 | 0 | 112.6 | A163 F164 N165 I256 A257 D259 K413 | A163-M183 HydrophobicContact CB-CB 4.4Å; A163-M183 HydrophobicContact CB-SD 3.71Å; F164-M183 CarbonylContact O-C 3.57Å; F164-M183 WeakPolarHBondContact O-CA 3.27Å; N165-M183 HydrophobicContact CB-CG 4.31Å; N165-M183 WeakPolarHBondContact OD1-CG 3.09Å; N165-M183 PolarHBondContact OD1-SD 3.01Å; M183-I256 WeakPolarHBondContact O-CA 3.46Å; M183-A257 HydrophobicContact CB-CB 3.96Å; M183-A257 HydrophobicContact CE-CB 3.98Å; M183-A257 PolarHBondContact N-O 3.28Å; M183-A257 PolarHBondContact O-N 2.76Å; M183-D259 HydrophobicContact CE-CB 4.12Å; M183-K413 HydrophobicContact CE-CD 4.49Å; M183-K413 HydrophobicContact SD-CD 3.9Å; M183-K413 HydrophobicContact SD-CG 4.12Å |
| 184 | L | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 132.5 | 168.4 | -55.8 | 171.4 | 0 | 0 | 0 | 109.7 | A163 F164 V166 V202 L241 I245 I254 | A163-L184 WeakPolarHBondContact CA-O 3.42Å; F164-L184 HydrophobicContact CB-CB 4.31Å; F164-L184 HydrophobicContact CD2-CB 4.33Å; F164-L184 PolarHBondContact N-O 2.84Å; F164-L184 PolarHBondContact O-N 3.34Å; V166-L184 HydrophobicContact CB-CD1 4.46Å; V166-L184 HydrophobicContact CG1-CD1 3.76Å; V166-L184 HydrophobicContact CG1-CG 4.11Å; V166-L184 HydrophobicContact CG2-CD1 4.04Å; V166-L184 HydrophobicContact CG2-CD2 4.33Å; V166-L184 HydrophobicContact CG2-CG 3.71Å; L184-V202 HydrophobicContact CD1-CB 3.64Å; L184-V202 HydrophobicContact CD1-CG1 3.42Å; L184-V202 VanDerWaalsContact CD1-CG1 3.42Å; L184-V202 HydrophobicContact CD2-CG1 3.97Å; L184-V202 HydrophobicContact CG-CG1 4.35Å; L184-L241 HydrophobicContact CD2-CD1 4.47Å; L184-L241 HydrophobicContact CD2-CD2 4.19Å; L184-I245 HydrophobicContact CD2-CD1 3.86Å; L184-I245 HydrophobicContact CD2-CG1 3.96Å; L184-I254 HydrophobicContact CB-CG2 3.94Å; L184-I254 HydrophobicContact CD2-CG2 4Å |
| 185 | M | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 101.6 | 174.6 | -64.6 | -170.5 | 76.7 | 0 | 0 | 110.4 | V161 A163 V187 I254 K255 A257 V309 M387 F449 | V161-M185 HydrophobicContact CG1-CB 4.24Å; V161-M185 HydrophobicContact CG1-CE 4.11Å; A163-M185 HydrophobicContact CB-CG 4.15Å; M185-V187 HydrophobicContact CB-CG1 4.17Å; M185-V187 PolarHBondContact O-N 3.43Å; M185-I254 WeakPolarHBondContact O-CA 3.16Å; M185-K255 PolarHBondContact N-O 3.15Å; M185-K255 PolarHBondContact O-N 2.71Å; M185-A257 HydrophobicContact CG-CB 4.02Å; M185-A257 HydrophobicContact SD-CB 3.58Å; M185-A257 VanDerWaalsContact SD-CB 3.58Å; M185-V309 HydrophobicContact SD-CG2 3.97Å; M185-M387 HydrophobicContact CE-CE 4.38Å; M185-F449 HydrophobicContact CE-CD2 3.58Å; M185-F449 HydrophobicContact CE-CE2 3.82Å; M185-F449 HydrophobicContact CE-CG 4.38Å |
| 186 | P | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.129 | C | C | . | . | trans | -77.4 | 63.7 | 179 | 35.4 | -37.8 | 0 | 0 | 0 | 112.1 | P162 F164 G188 A189 A195 M198 K253 I254 Y444 | P162-P186 HydrophobicContact CG-CG 3.89Å; P162-P186 WeakPolarHBondContact O-CD 3.5Å; F164-P186 HydrophobicContact CE2-CG 4.05Å; P186-G188 VanDerWaalsContact C-N 3.27Å; P186-G188 PolarHBondContact O-N 3.4Å; P186-A189 HydrophobicContact CB-CB 4.36Å; P186-A189 WeakPolarHBondContact O-CB 3.35Å; P186-A189 PolarHBondContact O-N 3.22Å; P186-A195 HydrophobicContact CB-CB 4.03Å; P186-A195 HydrophobicContact CG-CB 3.49Å; P186-A195 VanDerWaalsContact CG-CB 3.49Å; P186-M198 HydrophobicContact CB-CB 4.37Å; P186-M198 HydrophobicContact CB-CE 4.1Å; P186-K253 CarbonylContact C-O 3.54Å; P186-I254 HydrophobicContact CB-CG1 4.08Å; P186-Y444 PolarHBondContact O-OH 2.91Å | ||
| 187 | V | 98.6 | Very high | 98.3 | Very high | 2 Ų | 2 | 22.7 Ų | 22.7 | 1% | 0.012 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -29.1 | -179.3 | -59.8 | 0 | 0 | 0 | 0 | 113.1 | V161 M185 A189 K253 K255 G446 E447 F449 | V161-V187 HydrophobicContact CG1-CG1 4.14Å; M185-V187 HydrophobicContact CB-CG1 4.17Å; M185-V187 PolarHBondContact O-N 3.43Å; V187-A189 VanDerWaalsContact C-N 3.31Å; V187-A189 PolarHBondContact O-N 2.88Å; V187-K253 PolarHBondContact N-O 2.96Å; V187-K255 HydrophobicContact CG1-CG 4.41Å; V187-K255 HydrophobicContact CG2-CD 4.36Å; V187-K255 HydrophobicContact CG2-CG 3.5Å; V187-G446 CarbonylContact O-C 3.57Å; V187-G446 WeakPolarHBondContact O-CA 3.38Å; V187-E447 PolarHBondContact O-N 2.94Å; V187-E447 VanDerWaalsContact O-N 3.14Å; V187-F449 HydrophobicContact CG1-CD1 3.96Å; V187-F449 HydrophobicContact CG1-CE1 4.25Å; V187-F449 HydrophobicContact CG1-CG 4.39Å |
| 188 | G | 98.4 | Very high | 98.5 | Very high | 29 Ų | 29 | 23 Ų | 23 | 30% | 0.299 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88 | 9.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | P186 K253 | P186-G188 VanDerWaalsContact C-N 3.27Å; P186-G188 PolarHBondContact O-N 3.4Å; G188-K253 PolarHBondContact N-O 3.48Å |
| 189 | A | 98.6 | Very high | 98.5 | Very high | 8 Ų | 8 | 22.9 Ų | 22.9 | 7% | 0.066 | 12% | 0.123 | C | C | . | . | trans | -74.4 | 145.7 | 174 | 0 | 0 | 0 | 0 | 0 | 111.1 | P186 V187 E194 A195 M198 Y444 | P186-A189 HydrophobicContact CB-CB 4.36Å; P186-A189 WeakPolarHBondContact O-CB 3.35Å; P186-A189 PolarHBondContact O-N 3.22Å; V187-A189 VanDerWaalsContact C-N 3.31Å; V187-A189 PolarHBondContact O-N 2.88Å; A189-E194 HydrophobicContact CB-CB 4.41Å; A189-A195 HydrophobicContact CB-CB 3.75Å; A189-M198 HydrophobicContact CB-SD 3.7Å; A189-Y444 HydrophobicContact CB-CE1 3.9Å; A189-Y444 VanDerWaalsContact O-CD1 3.23Å; A189-Y444 WeakPolarHBondContact O-CD1 3.25Å; A189-Y444 VanDerWaalsContact O-CE1 3.29Å; A189-Y444 WeakPolarHBondContact O-CE1 3.48Å | ||
| 190 | P | 97.7 | Very high | 98.6 | Very high | 109 Ų | 109 | 24.7 Ų | 24.7 | 71% | 0.708 | 14% | 0.135 | S | C | * | . | S | Bend | trans | -79 | -19.1 | 178.7 | 32.1 | -37.1 | 0 | 0 | 0 | 113.7 | E194 | P190-E194 HydrophobicContact CG-CB 3.92Å; P190-E194 HydrophobicContact CG-CG 3.82Å |
| 191 | S | 98.6 | Very high | 98.7 | Very high | 24 Ų | 24 | 27.7 Ų | 27.7 | 17% | 0.168 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -152.8 | 169.6 | -177.4 | 79.5 | 0 | 0 | 0 | 0 | 110.8 | E194 A195 E433 | S191-E194 PolarHBondContact O-N 2.93Å; S191-E194 PolarHBondContact OG-N 2.63Å; S191-A195 WeakPolarHBondContact O-CB 3.32Å; S191-A195 PolarHBondContact O-N 3.25Å; S191-E433 VanDerWaalsContact CB-OE1 3.27Å; S191-E433 WeakPolarHBondContact CB-OE1 3.45Å |
| 192 | F | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -68.6 | -40.7 | 177.7 | 178.5 | -96.2 | 0 | 0 | 0 | 111.5 | L159 P160 P162 E194 A195 M196 Y426 L429 L430 E433 Y444 | L159-F192 HydrophobicContact CB-CB 4.15Å; L159-F192 HydrophobicContact CD1-CB 4.18Å; P160-F192 WeakPolarHBondContact O-CD2 3.38Å; P162-F192 HydrophobicContact CB-CE2 4.3Å; P162-F192 HydrophobicContact CG-CE2 4.09Å; F192-E194 VanDerWaalsContact C-N 3.33Å; F192-E194 PolarHBondContact O-N 2.94Å; F192-A195 VanDerWaalsContact O-CB 3.32Å; F192-A195 WeakPolarHBondContact O-CB 3.42Å; F192-A195 PolarHBondContact O-N 3.08Å; F192-A195 VanDerWaalsContact O-N 3.15Å; F192-M196 HydrophobicContact CD1-CG 4.07Å; F192-M196 HydrophobicContact CE1-CG 3.43Å; F192-M196 VanDerWaalsContact CE1-CG 3.43Å; F192-M196 HydrophobicContact CE1-SD 4.14Å; F192-M196 HydrophobicContact CE2-CG 4.3Å; F192-M196 HydrophobicContact CE2-SD 4.45Å; F192-M196 HydrophobicContact CZ-CG 3.57Å; F192-M196 HydrophobicContact CZ-SD 3.72Å; F192-M196 PolarHBondContact O-N 2.95Å; F192-Y426 HydrophobicContact CZ-CD1 4.06Å; F192-L429 HydrophobicContact CD1-CB 3.85Å; F192-L429 HydrophobicContact CE1-CB 3.26Å; F192-L429 HydrophobicContact CE1-CD1 4.28Å; F192-L429 HydrophobicContact CE1-CG 4.4Å; F192-L429 HydrophobicContact CE2-CB 4.04Å; F192-L429 HydrophobicContact CE2-CD1 3.6Å; F192-L429 HydrophobicContact CE2-CG 4.42Å; F192-L429 HydrophobicContact CG-CB 4.46Å; F192-L429 HydrophobicContact CZ-CB 3.38Å; F192-L429 HydrophobicContact CZ-CD1 3.47Å; F192-L429 VanDerWaalsContact CZ-CD1 3.47Å; F192-L429 HydrophobicContact CZ-CG 4.06Å; F192-L430 HydrophobicContact CD1-CD2 3.88Å; F192-L430 HydrophobicContact CD1-CG 4.31Å; F192-L430 HydrophobicContact CE1-CD2 3.98Å; F192-L430 HydrophobicContact CE1-CG 4Å; F192-E433 WeakPolarHBondContact CA-OE1 3.49Å; F192-E433 WeakPolarHBondContact CB-OE1 3.45Å; F192-E433 PolarHBondContact N-OE1 3.13Å; F192-Y444 HydrophobicContact CB-CD2 4.07Å; F192-Y444 HydrophobicContact CB-CE2 4.43Å; F192-Y444 HydrophobicContact CD2-CE2 4.36Å |
| 193 | K | 98.7 | Very high | 98.7 | Very high | 125 Ų | 125 | 28.4 Ų | 28.4 | 54% | 0.543 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -56.7 | -43.6 | 172.6 | 167.2 | 178.4 | 155.2 | -170.4 | 0 | 112.8 | M196 R197 L430 E433 | K193-M196 WeakPolarHBondContact O-CB 3.27Å; K193-M196 PolarHBondContact O-N 2.74Å; K193-R197 PolarHBondContact O-N 2.9Å; K193-L430 HydrophobicContact CB-CD2 3.87Å; K193-L430 HydrophobicContact CG-CD2 4.46Å; K193-E433 WeakPolarHBondContact CA-OE2 3.48Å; K193-E433 WeakPolarHBondContact CB-OE2 3.4Å; K193-E433 PolarHBondContact N-OE1 3.25Å; K193-E433 PolarHBondContact N-OE2 2.97Å |
| 194 | E | 98.8 | Very high | 98.7 | Very high | 55 Ų | 55 | 34 Ų | 34 | 26% | 0.257 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -69.7 | -36.6 | 176 | -74.2 | -57.8 | 116.2 | 0 | 0 | 111.9 | A189 P190 S191 F192 M196 R197 M198 | A189-E194 HydrophobicContact CB-CB 4.41Å; P190-E194 HydrophobicContact CG-CB 3.92Å; P190-E194 HydrophobicContact CG-CG 3.82Å; S191-E194 PolarHBondContact O-N 2.93Å; S191-E194 PolarHBondContact OG-N 2.63Å; F192-E194 VanDerWaalsContact C-N 3.33Å; F192-E194 PolarHBondContact O-N 2.94Å; E194-M196 VanDerWaalsContact C-N 3.32Å; E194-M196 PolarHBondContact O-N 3.09Å; E194-R197 PolarHBondContact O-N 3.31Å; E194-R197 IonicContact OE1-NE 3.71Å; E194-R197 IonicContact OE2-CZ 3.55Å; E194-R197 VanDerWaalsContact OE2-CZ 3.27Å; E194-R197 IonicContact OE2-NE 3.35Å; E194-R197 PolarHBondContact OE2-NE 3.42Å; E194-R197 IonicContact OE2-NH2 2.95Å; E194-R197 PolarHBondContact OE2-NH2 3.46Å; E194-M198 WeakPolarHBondContact O-CB 3.5Å; E194-M198 WeakPolarHBondContact O-CG 3.33Å; E194-M198 PolarHBondContact O-N 3.23Å |
| 195 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -58.5 | -43.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | P162 P186 A189 S191 F192 M198 G199 Y444 | P162-A195 HydrophobicContact CG-CB 4.18Å; P186-A195 HydrophobicContact CB-CB 4.03Å; P186-A195 HydrophobicContact CG-CB 3.49Å; P186-A195 VanDerWaalsContact CG-CB 3.49Å; A189-A195 HydrophobicContact CB-CB 3.75Å; S191-A195 WeakPolarHBondContact O-CB 3.32Å; S191-A195 PolarHBondContact O-N 3.25Å; F192-A195 VanDerWaalsContact O-CB 3.32Å; F192-A195 WeakPolarHBondContact O-CB 3.42Å; F192-A195 PolarHBondContact O-N 3.08Å; F192-A195 VanDerWaalsContact O-N 3.15Å; A195-M198 PolarHBondContact O-N 2.78Å; A195-G199 PolarHBondContact O-N 3.25Å; A195-Y444 HydrophobicContact CB-CE1 4.5Å; A195-Y444 HydrophobicContact CB-CE2 3.97Å; A195-Y444 WeakPolarHBondContact CB-OH 3.26Å |
| 196 | M | 98.8 | Very high | 98.7 | Very high | 20 Ų | 20 | 36 Ų | 36 | 10% | 0.099 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.6 | -47.1 | 174.5 | -79.1 | -58.8 | -53 | 0 | 0 | 112.2 | F164 F192 K193 E194 G199 S200 P417 Y426 L430 | F164-M196 HydrophobicContact CE1-CE 4.1Å; F164-M196 HydrophobicContact CE1-SD 3.63Å; F164-M196 HydrophobicContact CZ-CE 4.32Å; F164-M196 HydrophobicContact CZ-SD 3.53Å; F164-M196 VanDerWaalsContact CZ-SD 3.53Å; F192-M196 HydrophobicContact CD1-CG 4.07Å; F192-M196 HydrophobicContact CE1-CG 3.43Å; F192-M196 VanDerWaalsContact CE1-CG 3.43Å; F192-M196 HydrophobicContact CE1-SD 4.14Å; F192-M196 HydrophobicContact CE2-CG 4.3Å; F192-M196 HydrophobicContact CE2-SD 4.45Å; F192-M196 HydrophobicContact CZ-CG 3.57Å; F192-M196 HydrophobicContact CZ-SD 3.72Å; F192-M196 PolarHBondContact O-N 2.95Å; K193-M196 WeakPolarHBondContact O-CB 3.27Å; K193-M196 PolarHBondContact O-N 2.74Å; E194-M196 VanDerWaalsContact C-N 3.32Å; E194-M196 PolarHBondContact O-N 3.09Å; M196-G199 PolarHBondContact O-N 3.02Å; M196-S200 VanDerWaalsContact O-CB 3.31Å; M196-S200 WeakPolarHBondContact O-CB 3.02Å; M196-S200 PolarHBondContact O-N 3.44Å; M196-P417 HydrophobicContact CE-CB 4.4Å; M196-Y426 HydrophobicContact CE-CD1 4.35Å; M196-Y426 HydrophobicContact CE-CD2 4.17Å; M196-Y426 HydrophobicContact CE-CG 3.84Å; M196-Y426 HydrophobicContact SD-CD1 3.55Å; M196-Y426 VanDerWaalsContact SD-CD1 3.55Å; M196-Y426 HydrophobicContact SD-CD2 4.38Å; M196-Y426 HydrophobicContact SD-CE1 4.21Å; M196-Y426 HydrophobicContact SD-CG 3.65Å; M196-L430 HydrophobicContact CG-CD2 4.29Å |
| 197 | R | 98.8 | Very high | 98.7 | Very high | 93 Ų | 93 | 40.5 Ų | 40.5 | 35% | 0.351 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -59.5 | -49.9 | 177.1 | -173.7 | -176.7 | 66.9 | 72.5 | 6.6 | 111.2 | K193 E194 G199 S200 E201 Y250 | K193-R197 PolarHBondContact O-N 2.9Å; E194-R197 PolarHBondContact O-N 3.31Å; E194-R197 IonicContact OE1-NE 3.71Å; E194-R197 IonicContact OE2-CZ 3.55Å; E194-R197 VanDerWaalsContact OE2-CZ 3.27Å; E194-R197 IonicContact OE2-NE 3.35Å; E194-R197 PolarHBondContact OE2-NE 3.42Å; E194-R197 IonicContact OE2-NH2 2.95Å; E194-R197 PolarHBondContact OE2-NH2 3.46Å; R197-G199 PolarHBondContact O-N 3.37Å; R197-S200 PolarHBondContact O-N 2.86Å; R197-E201 VanDerWaalsContact CG-OE1 3.31Å; R197-E201 WeakPolarHBondContact CG-OE1 3.18Å; R197-E201 IonicContact CZ-OE1 2.76Å; R197-E201 IonicContact NH1-OE1 2.7Å; R197-E201 PolarHBondContact NH1-OE1 3.26Å; R197-E201 IonicContact NH1-OE2 3.38Å; R197-E201 PolarHBondContact NH1-OE2 2.79Å; R197-E201 WeakPolarHBondContact O-CG 3.34Å; R197-E201 PolarHBondContact O-N 3.08Å; R197-Y250 PolarHBondContact NH1-OH 3.01Å; R197-Y250 PolarHBondContact NH2-OH 2.9Å |
| 198 | M | 98.9 | Very high | 98.7 | Very high | 5 Ų | 5 | 41.7 Ų | 41.7 | 3% | 0.025 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -57 | -50.9 | 178.3 | -73.7 | 173.3 | 58.7 | 0 | 0 | 111.6 | P186 A189 E194 A195 S200 E201 V202 Y250 K253 I254 | P186-M198 HydrophobicContact CB-CB 4.37Å; P186-M198 HydrophobicContact CB-CE 4.1Å; A189-M198 HydrophobicContact CB-SD 3.7Å; E194-M198 WeakPolarHBondContact O-CB 3.5Å; E194-M198 WeakPolarHBondContact O-CG 3.33Å; E194-M198 PolarHBondContact O-N 3.23Å; A195-M198 PolarHBondContact O-N 2.78Å; M198-S200 PolarHBondContact O-N 3.28Å; M198-E201 PolarHBondContact O-N 2.62Å; M198-V202 VanDerWaalsContact O-CG2 3.29Å; M198-V202 WeakPolarHBondContact O-CG2 3.49Å; M198-V202 PolarHBondContact O-N 2.86Å; M198-V202 VanDerWaalsContact O-N 3.11Å; M198-Y250 HydrophobicContact CB-CD2 4.08Å; M198-Y250 HydrophobicContact CB-CE2 3.97Å; M198-Y250 HydrophobicContact CB-CG 4.5Å; M198-Y250 HydrophobicContact CE-CD1 3.88Å; M198-Y250 HydrophobicContact CE-CG 3.92Å; M198-Y250 HydrophobicContact CG-CD1 4.01Å; M198-Y250 HydrophobicContact CG-CD2 4.16Å; M198-Y250 HydrophobicContact CG-CE1 3.74Å; M198-Y250 HydrophobicContact CG-CE2 3.91Å; M198-Y250 HydrophobicContact CG-CG 4.24Å; M198-Y250 HydrophobicContact SD-CD1 4.39Å; M198-Y250 HydrophobicContact SD-CE1 4.48Å; M198-K253 HydrophobicContact CE-CB 3.61Å; M198-K253 HydrophobicContact CE-CD 4.33Å; M198-I254 HydrophobicContact CB-CD1 4.21Å; M198-I254 HydrophobicContact CE-CD1 4.12Å; M198-I254 HydrophobicContact CE-CG1 3.63Å |
| 199 | G | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.1 | -42 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | A195 M196 R197 V202 Y203 | A195-G199 PolarHBondContact O-N 3.25Å; M196-G199 PolarHBondContact O-N 3.02Å; R197-G199 PolarHBondContact O-N 3.37Å; G199-V202 PolarHBondContact O-N 2.76Å; G199-Y203 WeakPolarHBondContact O-CB 3.45Å; G199-Y203 PolarHBondContact O-N 2.81Å |
| 200 | S | 98.7 | Very high | 98.7 | Very high | 38 Ų | 38 | 40 Ų | 40 | 27% | 0.266 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -63.7 | -44.5 | 178.2 | -171.1 | 0 | 0 | 0 | 0 | 112.4 | M196 R197 M198 Y203 H204 | M196-S200 VanDerWaalsContact O-CB 3.31Å; M196-S200 WeakPolarHBondContact O-CB 3.02Å; M196-S200 PolarHBondContact O-N 3.44Å; R197-S200 PolarHBondContact O-N 2.86Å; M198-S200 PolarHBondContact O-N 3.28Å; S200-Y203 PolarHBondContact O-N 3.29Å; S200-H204 PolarHBondContact O-CD2 3.11Å; S200-H204 PolarHBondContact O-N 3.41Å |
| 201 | E | 98.9 | Very high | 98.7 | Very high | 70 Ų | 70 | 40.2 Ų | 40.2 | 33% | 0.327 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -65.4 | -42.7 | 178.8 | -72.8 | 173 | -166.2 | 0 | 0 | 111.8 | R197 M198 Y203 H204 N205 Y250 | R197-E201 VanDerWaalsContact CG-OE1 3.31Å; R197-E201 WeakPolarHBondContact CG-OE1 3.18Å; R197-E201 IonicContact CZ-OE1 2.76Å; R197-E201 IonicContact NH1-OE1 2.7Å; R197-E201 PolarHBondContact NH1-OE1 3.26Å; R197-E201 IonicContact NH1-OE2 3.38Å; R197-E201 PolarHBondContact NH1-OE2 2.79Å; R197-E201 WeakPolarHBondContact O-CG 3.34Å; R197-E201 PolarHBondContact O-N 3.08Å; M198-E201 PolarHBondContact O-N 2.62Å; E201-Y203 VanDerWaalsContact C-N 3.34Å; E201-Y203 PolarHBondContact O-N 2.81Å; E201-H204 PolarHBondContact O-N 3.01Å; E201-N205 PolarHBondContact O-N 3.29Å; E201-Y250 HydrophobicContact CB-CE2 4.23Å; E201-Y250 WeakPolarHBondContact OE2-CE2 3.29Å; E201-Y250 VanDerWaalsContact OE2-CZ 3.31Å; E201-Y250 PolarHBondContact OE2-OH 3.45Å |
| 202 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.9 | -41.7 | 174 | -177.8 | 0 | 0 | 0 | 0 | 111.2 | L184 M198 G199 H204 N205 L206 A244 I245 S248 Y250 I254 | L184-V202 HydrophobicContact CD1-CB 3.64Å; L184-V202 HydrophobicContact CD1-CG1 3.42Å; L184-V202 VanDerWaalsContact CD1-CG1 3.42Å; L184-V202 HydrophobicContact CD2-CG1 3.97Å; L184-V202 HydrophobicContact CG-CG1 4.35Å; M198-V202 VanDerWaalsContact O-CG2 3.29Å; M198-V202 WeakPolarHBondContact O-CG2 3.49Å; M198-V202 PolarHBondContact O-N 2.86Å; M198-V202 VanDerWaalsContact O-N 3.11Å; G199-V202 PolarHBondContact O-N 2.76Å; V202-H204 VanDerWaalsContact C-N 3.33Å; V202-H204 PolarHBondContact O-N 3.41Å; V202-N205 PolarHBondContact O-N 3.12Å; V202-L206 VanDerWaalsContact O-CB 3.23Å; V202-L206 WeakPolarHBondContact O-CB 3.46Å; V202-L206 PolarHBondContact O-N 2.97Å; V202-A244 HydrophobicContact CG1-CB 3.84Å; V202-I245 HydrophobicContact CG1-CG1 3.98Å; V202-S248 WeakPolarHBondContact CA-OG 3.32Å; V202-Y250 HydrophobicContact CG2-CD2 3.73Å; V202-Y250 HydrophobicContact CG2-CE2 4.43Å; V202-I254 HydrophobicContact CB-CD1 4.46Å; V202-I254 HydrophobicContact CG2-CD1 3.38Å |
| 203 | Y | 98.8 | Very high | 98.5 | Very high | 17 Ų | 17 | 50.8 Ų | 50.8 | 7% | 0.067 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -58.7 | -42.7 | 176.7 | 178.5 | -107.5 | 0 | 0 | 0 | 112.1 | V166 G199 S200 E201 L206 K207 G225 F227 A416 P417 C418 | V166-Y203 HydrophobicContact CB-CD2 4.06Å; V166-Y203 HydrophobicContact CG1-CD2 3.72Å; G199-Y203 WeakPolarHBondContact O-CB 3.45Å; G199-Y203 PolarHBondContact O-N 2.81Å; S200-Y203 PolarHBondContact O-N 3.29Å; E201-Y203 VanDerWaalsContact C-N 3.34Å; E201-Y203 PolarHBondContact O-N 2.81Å; Y203-L206 PolarHBondContact O-N 3.38Å; Y203-K207 PolarHBondContact O-N 2.83Å; Y203-K207 VanDerWaalsContact O-N 3.08Å; Y203-G225 PolarHBondContact OH-O 2.99Å; Y203-F227 HydrophobicContact CD1-CZ 4.47Å; Y203-F227 HydrophobicContact CD2-CD2 4.31Å; Y203-F227 AromaticContact CD2-CE2 3.55Å; Y203-F227 HydrophobicContact CD2-CE2 3.55Å; Y203-F227 HydrophobicContact CD2-CZ 4.04Å; Y203-F227 HydrophobicContact CE1-CE2 4.44Å; Y203-F227 AromaticContact CE1-CZ 3.94Å; Y203-F227 HydrophobicContact CE1-CZ 3.94Å; Y203-F227 AromaticContact CE2-CD2 3.88Å; Y203-F227 HydrophobicContact CE2-CD2 3.88Å; Y203-F227 HydrophobicContact CE2-CE1 4.25Å; Y203-F227 AromaticContact CE2-CE2 3.24Å; Y203-F227 HydrophobicContact CE2-CE2 3.24Å; Y203-F227 AromaticContact CE2-CZ 3.43Å; Y203-F227 HydrophobicContact CE2-CZ 3.43Å; Y203-F227 VanDerWaalsContact CE2-CZ 3.43Å; Y203-F227 HydrophobicContact CG-CE2 4.26Å; Y203-F227 AromaticContact CZ-CE2 3.74Å; Y203-F227 AromaticContact CZ-CZ 3.37Å; Y203-F227 WeakPolarHBondContact O-CE2 3.49Å; Y203-A416 HydrophobicContact CD2-CB 4.39Å; Y203-A416 HydrophobicContact CE2-CB 3.9Å; Y203-P417 HydrophobicContact CD1-CG 4.01Å; Y203-P417 HydrophobicContact CD2-CG 4.48Å; Y203-P417 HydrophobicContact CG-CG 3.83Å; Y203-C418 HydrophobicContact CE1-CB 4.19Å; Y203-C418 PolarHBondContact OH-SG 3.31Å |
| 204 | H | 98.7 | Very high | 98.4 | Very high | 118 Ų | 118 | 48.5 Ų | 48.5 | 55% | 0.546 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -68.2 | -40.6 | 175.1 | -75.1 | -63.4 | 0 | 0 | 0 | 113.1 | S200 E201 V202 K207 G208 | S200-H204 PolarHBondContact O-CD2 3.11Å; S200-H204 PolarHBondContact O-N 3.41Å; E201-H204 PolarHBondContact O-N 3.01Å; V202-H204 VanDerWaalsContact C-N 3.33Å; V202-H204 PolarHBondContact O-N 3.41Å; H204-K207 WeakPolarHBondContact O-CB 3.39Å; H204-K207 PolarHBondContact O-N 2.99Å; H204-G208 PolarHBondContact O-N 2.69Å |
| 205 | N | 98.8 | Very high | 98.2 | Very high | 44 Ų | 44 | 47.4 Ų | 47.4 | 24% | 0.235 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65.2 | -39.6 | 175.4 | -86.2 | -36.7 | 0 | 0 | 0 | 112.1 | E201 V202 K207 G208 C209 K247 S248 | E201-N205 PolarHBondContact O-N 3.29Å; V202-N205 PolarHBondContact O-N 3.12Å; N205-K207 VanDerWaalsContact C-N 3.34Å; N205-K207 PolarHBondContact O-N 3.15Å; N205-G208 CarbonylContact O-C 3.6Å; N205-G208 WeakPolarHBondContact O-CA 3.46Å; N205-G208 PolarHBondContact O-N 3.06Å; N205-C209 PolarHBondContact O-N 3.18Å; N205-C209 PolarHBondContact O-SG 3.07Å; N205-K247 HydrophobicContact CB-CD 4.28Å; N205-S248 PolarHBondContact ND2-OG 2.85Å |
| 206 | L | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.7 | -44.4 | 174.3 | 177.3 | 62.2 | 0 | 0 | 0 | 111.3 | V166 I167 V202 Y203 G208 C209 I210 F227 L240 L241 A244 | V166-L206 HydrophobicContact CB-CD2 3.79Å; V166-L206 HydrophobicContact CG2-CD2 3.78Å; I167-L206 HydrophobicContact CD1-CD1 4.35Å; I167-L206 HydrophobicContact CD1-CD2 4.4Å; I167-L206 HydrophobicContact CG1-CD2 3.95Å; V202-L206 VanDerWaalsContact O-CB 3.23Å; V202-L206 WeakPolarHBondContact O-CB 3.46Å; V202-L206 PolarHBondContact O-N 2.97Å; Y203-L206 PolarHBondContact O-N 3.38Å; L206-G208 PolarHBondContact O-N 3.36Å; L206-C209 PolarHBondContact O-N 2.87Å; L206-C209 VanDerWaalsContact O-N 3.17Å; L206-I210 HydrophobicContact CD1-CD1 3.93Å; L206-I210 HydrophobicContact CD1-CG1 4.12Å; L206-I210 HydrophobicContact CG-CD1 3.86Å; L206-I210 HydrophobicContact CG-CG1 4.45Å; L206-I210 WeakPolarHBondContact O-CB 3.36Å; L206-I210 WeakPolarHBondContact O-CG1 3.44Å; L206-I210 PolarHBondContact O-N 2.85Å; L206-F227 HydrophobicContact CB-CE2 4.36Å; L206-F227 HydrophobicContact CD2-CD2 3.82Å; L206-F227 HydrophobicContact CD2-CE2 4.2Å; L206-F227 HydrophobicContact CG-CD2 3.92Å; L206-F227 HydrophobicContact CG-CE2 4.17Å; L206-L240 HydrophobicContact CD1-CB 3.89Å; L206-L241 HydrophobicContact CD1-CD2 4.15Å; L206-L241 HydrophobicContact CD2-CD2 3.73Å; L206-A244 HydrophobicContact CB-CB 3.76Å; L206-A244 HydrophobicContact CD1-CB 4.15Å |
| 207 | K | 98.6 | Very high | 97.8 | Very high | 94 Ų | 94 | 58.5 Ų | 58.5 | 41% | 0.409 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -53.8 | -43.9 | 172.3 | -165.6 | 173.6 | -179.7 | 171.3 | 0 | 111.7 | Y203 H204 N205 K211 T219 F227 | Y203-K207 PolarHBondContact O-N 2.83Å; Y203-K207 VanDerWaalsContact O-N 3.08Å; H204-K207 WeakPolarHBondContact O-CB 3.39Å; H204-K207 PolarHBondContact O-N 2.99Å; N205-K207 VanDerWaalsContact C-N 3.34Å; N205-K207 PolarHBondContact O-N 3.15Å; K207-K211 VanDerWaalsContact O-CB 3.28Å; K207-K211 WeakPolarHBondContact O-CB 3.44Å; K207-K211 PolarHBondContact O-N 2.95Å; K207-T219 HydrophobicContact CG-CG2 3.74Å; K207-F227 HydrophobicContact CB-CE1 3.95Å; K207-F227 HydrophobicContact CB-CE2 3.88Å; K207-F227 HydrophobicContact CB-CZ 3.38Å; K207-F227 HydrophobicContact CD-CE1 3.89Å; K207-F227 HydrophobicContact CD-CZ 3.93Å; K207-F227 HydrophobicContact CG-CE1 3.67Å; K207-F227 HydrophobicContact CG-CZ 3.65Å |
| 208 | G | 98.4 | Very high | 97.7 | Very high | 26 Ų | 26 | 54.7 Ų | 54.7 | 27% | 0.268 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.1 | -48.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | H204 N205 L206 I210 K211 T212 | H204-G208 PolarHBondContact O-N 2.69Å; N205-G208 CarbonylContact O-C 3.6Å; N205-G208 WeakPolarHBondContact O-CA 3.46Å; N205-G208 PolarHBondContact O-N 3.06Å; L206-G208 PolarHBondContact O-N 3.36Å; G208-I210 PolarHBondContact O-N 2.94Å; G208-K211 PolarHBondContact O-N 2.98Å; G208-T212 PolarHBondContact O-N 3.33Å; G208-T212 PolarHBondContact O-OG1 3.43Å |
| 209 | C | 98.3 | Very high | 97.6 | Very high | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.007 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.8 | -46.3 | 178 | -63.7 | 0 | 0 | 0 | 0 | 111.8 | N205 L206 T212 R213 L240 E243 | N205-C209 PolarHBondContact O-N 3.18Å; N205-C209 PolarHBondContact O-SG 3.07Å; L206-C209 PolarHBondContact O-N 2.87Å; L206-C209 VanDerWaalsContact O-N 3.17Å; C209-T212 PolarHBondContact O-N 3.38Å; C209-R213 WeakPolarHBondContact O-CG 3.41Å; C209-R213 PolarHBondContact O-N 2.97Å; C209-L240 HydrophobicContact CB-CD2 4.08Å; C209-E243 PolarHBondContact SG-OE1 2.88Å |
| 210 | I | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61 | -48 | 176.6 | -70.4 | 170.6 | 0 | 0 | 0 | 110.7 | L206 G208 T212 R213 Y214 A218 T219 F227 P229 L240 | L206-I210 HydrophobicContact CD1-CD1 3.93Å; L206-I210 HydrophobicContact CD1-CG1 4.12Å; L206-I210 HydrophobicContact CG-CD1 3.86Å; L206-I210 HydrophobicContact CG-CG1 4.45Å; L206-I210 WeakPolarHBondContact O-CB 3.36Å; L206-I210 WeakPolarHBondContact O-CG1 3.44Å; L206-I210 PolarHBondContact O-N 2.85Å; G208-I210 PolarHBondContact O-N 2.94Å; I210-T212 VanDerWaalsContact C-N 3.3Å; I210-T212 PolarHBondContact O-N 3.33Å; I210-R213 PolarHBondContact O-N 3.46Å; I210-Y214 HydrophobicContact CG2-CD2 4.4Å; I210-Y214 PolarHBondContact O-N 3.45Å; I210-A218 HydrophobicContact CG2-CB 3.62Å; I210-A218 VanDerWaalsContact CG2-O 3.28Å; I210-A218 WeakPolarHBondContact CG2-O 3.25Å; I210-T219 HydrophobicContact CG2-CG2 4.14Å; I210-F227 HydrophobicContact CD1-CB 3.5Å; I210-F227 HydrophobicContact CD1-CD2 3.74Å; I210-F227 HydrophobicContact CD1-CG 3.75Å; I210-P229 HydrophobicContact CD1-CG 4.18Å; I210-P229 HydrophobicContact CG2-CB 4.05Å; I210-L240 HydrophobicContact CD1-CD1 4.45Å; I210-L240 HydrophobicContact CG1-CD1 3.83Å; I210-L240 HydrophobicContact CG1-CD2 4.04Å |
| 211 | K | 97.8 | Very high | 97.4 | Very high | 115 Ų | 115 | 58.3 Ų | 58.3 | 50% | 0.5 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -58.4 | -42.4 | 178.5 | -179.2 | 176.2 | 175.4 | -178.3 | 0 | 112 | K207 G208 G215 L216 T219 | K207-K211 VanDerWaalsContact O-CB 3.28Å; K207-K211 WeakPolarHBondContact O-CB 3.44Å; K207-K211 PolarHBondContact O-N 2.95Å; G208-K211 PolarHBondContact O-N 2.98Å; K211-G215 WeakPolarHBondContact CA-O 3.46Å; K211-G215 CarbonylContact O-C 3.47Å; K211-G215 WeakPolarHBondContact O-CA 3.4Å; K211-G215 PolarHBondContact O-N 3.08Å; K211-L216 HydrophobicContact CD-CD1 4.06Å; K211-T219 HydrophobicContact CB-CG2 3.88Å |
| 212 | T | 97.6 | Very high | 97.3 | Very high | 123 Ų | 123 | 55.8 Ų | 55.8 | 76% | 0.755 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -66.5 | -41.6 | 179.6 | -67.3 | 0 | 0 | 0 | 0 | 112.2 | G208 C209 I210 | G208-T212 PolarHBondContact O-N 3.33Å; G208-T212 PolarHBondContact O-OG1 3.43Å; C209-T212 PolarHBondContact O-N 3.38Å; I210-T212 VanDerWaalsContact C-N 3.3Å; I210-T212 PolarHBondContact O-N 3.33Å |
| 213 | R | 96.6 | Very high | 97.1 | Very high | 123 Ų | 123 | 58.8 Ų | 58.8 | 46% | 0.464 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -83.3 | -38.1 | -175.6 | -68.7 | -174.8 | -178.1 | -152.8 | -1.7 | 113.9 | C209 I210 E243 | C209-R213 WeakPolarHBondContact O-CG 3.41Å; C209-R213 PolarHBondContact O-N 2.97Å; I210-R213 PolarHBondContact O-N 3.46Å; R213-E243 IonicContact CZ-OE2 3.73Å; R213-E243 IonicContact NE-OE2 2.67Å; R213-E243 PolarHBondContact NE-OE2 3.33Å; R213-E243 IonicContact NH2-OE2 2.77Å; R213-E243 PolarHBondContact NH2-OE2 2.93Å |
| 214 | Y | 95.9 | Very high | 97 | Very high | 77 Ų | 77 | 58.1 Ų | 58.1 | 30% | 0.302 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -124 | 1.3 | -168.1 | -52.6 | -77.1 | 0 | 0 | 0 | 113.9 | I210 I231 E236 L240 | I210-Y214 HydrophobicContact CG2-CD2 4.4Å; I210-Y214 PolarHBondContact O-N 3.45Å; Y214-I231 HydrophobicContact CD1-CG2 4.14Å; Y214-I231 HydrophobicContact CE1-CG2 3.48Å; Y214-I231 VanDerWaalsContact CE1-CG2 3.48Å; Y214-I231 HydrophobicContact CE2-CG2 4Å; Y214-I231 VanDerWaalsContact CZ-CG2 3.4Å; Y214-E236 PolarHBondContact OH-OE2 3.45Å; Y214-L240 HydrophobicContact CE2-CD1 3.88Å; Y214-L240 HydrophobicContact CE2-CD2 4.13Å; Y214-L240 HydrophobicContact CE2-CG 4.3Å |
| 215 | G | 95.5 | Very high | 96.9 | Very high | 31 Ų | 31 | 52.6 Ų | 52.6 | 32% | 0.32 | 29% | 0.291 | S | S | . | . | trans | 88.5 | 173.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | K211 D217 A218 | K211-G215 WeakPolarHBondContact CA-O 3.46Å; K211-G215 CarbonylContact O-C 3.47Å; K211-G215 WeakPolarHBondContact O-CA 3.4Å; K211-G215 PolarHBondContact O-N 3.08Å; G215-D217 PolarHBondContact O-N 3.14Å; G215-A218 PolarHBondContact O-N 2.92Å | ||
| 216 | L | 94.9 | Very high | 96.9 | Very high | 105 Ų | 105 | 50.5 Ų | 50.5 | 55% | 0.55 | 28% | 0.279 | S | S | . | . | G | 310 helix | trans | -62.6 | -41.6 | -172.9 | -179.5 | 62.8 | 0 | 0 | 0 | 112.9 | K211 A218 T219 | K211-L216 HydrophobicContact CD-CD1 4.06Å; L216-A218 PolarHBondContact O-N 3.4Å; L216-T219 WeakPolarHBondContact O-CB 3.21Å; L216-T219 PolarHBondContact O-N 3.14Å; L216-T219 PolarHBondContact O-OG1 3.46Å |
| 217 | D | 94.3 | Very high | 96.9 | Very high | 149 Ų | 149 | 50.5 Ų | 50.5 | 80% | 0.797 | 28% | 0.28 | S | S | * | . | G | 310 helix | trans | -66.7 | -23.8 | -175 | -59.8 | -28.1 | 0 | 0 | 0 | 112.4 | G215 T219 A220 | G215-D217 PolarHBondContact O-N 3.14Å; D217-T219 PolarHBondContact O-N 3.24Å; D217-T219 VanDerWaalsContact O-N 3.12Å; D217-A220 PolarHBondContact O-N 2.86Å |
| 218 | A | 95.4 | Very high | 96.8 | Very high | 13 Ų | 13 | 47.1 Ų | 47.1 | 11% | 0.107 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -68.1 | -7.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | I210 G215 L216 P229 | I210-A218 HydrophobicContact CG2-CB 3.62Å; I210-A218 VanDerWaalsContact CG2-O 3.28Å; I210-A218 WeakPolarHBondContact CG2-O 3.25Å; G215-A218 PolarHBondContact O-N 2.92Å; L216-A218 PolarHBondContact O-N 3.4Å; A218-P229 HydrophobicContact CB-CB 4.2Å |
| 219 | T | 96.9 | Very high | 96.7 | Very high | 20 Ų | 20 | 45.9 Ų | 45.9 | 12% | 0.123 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -92 | 9.5 | 176.6 | 69.6 | 0 | 0 | 0 | 0 | 114.3 | K207 I210 K211 L216 D217 F227 | K207-T219 HydrophobicContact CG-CG2 3.74Å; I210-T219 HydrophobicContact CG2-CG2 4.14Å; K211-T219 HydrophobicContact CB-CG2 3.88Å; L216-T219 WeakPolarHBondContact O-CB 3.21Å; L216-T219 PolarHBondContact O-N 3.14Å; L216-T219 PolarHBondContact O-OG1 3.46Å; D217-T219 PolarHBondContact O-N 3.24Å; D217-T219 VanDerWaalsContact O-N 3.12Å; T219-F227 WeakPolarHBondContact O-CD1 3.39Å |
| 220 | A | 96.9 | Very high | 96.5 | Very high | 60 Ų | 60 | 50.6 Ų | 50.6 | 50% | 0.496 | 28% | 0.281 | S | S | . | . | trans | -60.7 | 156.4 | 164.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | D217 F227 A228 | D217-A220 PolarHBondContact O-N 2.86Å; A220-F227 CarbonylContact O-C 3.53Å; A220-F227 WeakPolarHBondContact O-CA 3.31Å; A220-A228 PolarHBondContact O-N 2.86Å | ||
| 221 | V | 97.1 | Very high | 96.1 | Very high | 39 Ų | 39 | 50.6 Ų | 50.6 | 24% | 0.236 | 28% | 0.281 | C | S | . | . | B | Isolated β-bridge | trans | -120.2 | 149.8 | -176.6 | -59.4 | 0 | 0 | 0 | 0 | 111.6 | G225 G226 F227 | V221-G225 VanDerWaalsContact CG1-O 3.29Å; V221-G225 WeakPolarHBondContact CG1-O 3.16Å; V221-G226 CarbonylContact C-O 3.09Å; V221-G226 WeakPolarHBondContact CA-O 3.36Å; V221-G226 VanDerWaalsContact CB-O 3.29Å; V221-G226 WeakPolarHBondContact CB-O 3.37Å; V221-F227 HydrophobicContact CG1-CD1 3.83Å; V221-F227 HydrophobicContact CG1-CE1 4.06Å |
| 222 | G | 96.4 | Very high | 95.4 | Very high | 17 Ų | 17 | 48.5 Ų | 48.5 | 18% | 0.175 | 28% | 0.279 | C | S | . | . | trans | -83.2 | -168.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | H172 E224 G225 G226 | H172-G222 VanDerWaalsContact O-CA 3.29Å; H172-G222 WeakPolarHBondContact O-CA 3.35Å; G222-E224 PolarHBondContact O-N 2.87Å; G222-G225 PolarHBondContact O-N 3.1Å; G222-G225 VanDerWaalsContact O-N 3.08Å; G222-G226 PolarHBondContact N-O 3.04Å | ||
| 223 | D | 95.1 | Very high | 95.2 | Very high | 62 Ų | 62 | 45.9 Ų | 45.9 | 33% | 0.332 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -26 | -175.6 | -79.4 | 2.1 | 0 | 0 | 0 | 113.7 | R29 H172 R422 | R29-D223 WeakPolarHBondContact CD-OD2 3.34Å; H172-D223 HydrophobicContact CB-CB 4.42Å; H172-D223 PolarHBondContact O-N 3.17Å; D223-R422 PolarHBondContact O-NH2 3.45Å |
| 224 | E | 96.1 | Very high | 95.2 | Very high | 4 Ų | 4 | 40.3 Ų | 40.3 | 2% | 0.019 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.6 | 8 | -174.5 | -58.1 | -172.6 | 147.4 | 0 | 0 | 113.5 | N165 H172 E181 G222 G226 H390 A416 | N165-E224 HydrophobicContact CB-CB 4.41Å; N165-E224 PolarHBondContact ND2-OE2 3.39Å; H172-E224 IonicContact CE1-OE1 3.06Å; H172-E224 PolarHBondContact CE1-OE1 3.44Å; H172-E224 IonicContact ND1-OE1 3.92Å; H172-E224 IonicContact ND1-OE2 3.18Å; E181-E224 VanDerWaalsContact OE1-CD 3.32Å; G222-E224 PolarHBondContact O-N 2.87Å; E224-G226 VanDerWaalsContact C-N 3.26Å; E224-G226 PolarHBondContact O-N 2.81Å; E224-H390 IonicContact OE1-CE1 2.71Å; E224-H390 PolarHBondContact OE1-CE1 2.84Å; E224-H390 IonicContact OE1-NE2 2.83Å; E224-H390 PolarHBondContact OE1-NE2 3.5Å; E224-A416 PolarHBondContact O-N 3.42Å |
| 225 | G | 97.5 | Very high | 95.2 | Very high | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.01 | 24% | 0.241 | C | C | . | . | S | Bend | trans | 81.1 | -1.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y203 V221 G222 A416 C418 | Y203-G225 PolarHBondContact OH-O 2.99Å; V221-G225 VanDerWaalsContact CG1-O 3.29Å; V221-G225 WeakPolarHBondContact CG1-O 3.16Å; G222-G225 PolarHBondContact O-N 3.1Å; G222-G225 VanDerWaalsContact O-N 3.08Å; G225-A416 VanDerWaalsContact O-CB 3.27Å; G225-A416 WeakPolarHBondContact O-CB 3.29Å; G225-C418 PolarHBondContact O-SG 2.99Å |
| 226 | G | 98.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 24% | 0.24 | C | C | . | . | trans | -71.4 | 149.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | N165 V166 N168 V221 G222 E224 | N165-G226 VanDerWaalsContact O-CA 3.27Å; N165-G226 WeakPolarHBondContact O-CA 3.15Å; N165-G226 PolarHBondContact O-N 3.02Å; V166-G226 VanDerWaalsContact C-CA 3.48Å; V166-G226 CarbonylContact O-C 3.57Å; V166-G226 WeakPolarHBondContact O-CA 3.34Å; N168-G226 VanDerWaalsContact OD1-CA 3.27Å; N168-G226 WeakPolarHBondContact OD1-CA 3.38Å; N168-G226 PolarHBondContact OD1-N 3.27Å; N168-G226 PolarHBondContact OD1-O 2.89Å; V221-G226 CarbonylContact C-O 3.09Å; V221-G226 WeakPolarHBondContact CA-O 3.36Å; V221-G226 VanDerWaalsContact CB-O 3.29Å; V221-G226 WeakPolarHBondContact CB-O 3.37Å; G222-G226 PolarHBondContact N-O 3.04Å; E224-G226 VanDerWaalsContact C-N 3.26Å; E224-G226 PolarHBondContact O-N 2.81Å | ||
| 227 | F | 98.5 | Very high | 95.4 | Very high | 1 Ų | 1 | 36.6 Ų | 36.6 | 0% | 0.004 | 21% | 0.214 | C | C | . | . | B | Isolated β-bridge | trans | -63.8 | 146 | 177.8 | -60.3 | -65.8 | 0 | 0 | 0 | 111.4 | V166 I167 N168 Y203 L206 K207 I210 T219 A220 V221 P229 | V166-F227 WeakPolarHBondContact O-CD2 3.42Å; V166-F227 PolarHBondContact O-N 3.08Å; I167-F227 CarbonylContact C-O 3.55Å; I167-F227 VanDerWaalsContact CA-O 3.26Å; I167-F227 WeakPolarHBondContact CA-O 2.92Å; N168-F227 PolarHBondContact N-O 2.91Å; Y203-F227 HydrophobicContact CD1-CZ 4.47Å; Y203-F227 HydrophobicContact CD2-CD2 4.31Å; Y203-F227 AromaticContact CD2-CE2 3.55Å; Y203-F227 HydrophobicContact CD2-CE2 3.55Å; Y203-F227 HydrophobicContact CD2-CZ 4.04Å; Y203-F227 HydrophobicContact CE1-CE2 4.44Å; Y203-F227 AromaticContact CE1-CZ 3.94Å; Y203-F227 HydrophobicContact CE1-CZ 3.94Å; Y203-F227 AromaticContact CE2-CD2 3.88Å; Y203-F227 HydrophobicContact CE2-CD2 3.88Å; Y203-F227 HydrophobicContact CE2-CE1 4.25Å; Y203-F227 AromaticContact CE2-CE2 3.24Å; Y203-F227 HydrophobicContact CE2-CE2 3.24Å; Y203-F227 AromaticContact CE2-CZ 3.43Å; Y203-F227 HydrophobicContact CE2-CZ 3.43Å; Y203-F227 VanDerWaalsContact CE2-CZ 3.43Å; Y203-F227 HydrophobicContact CG-CE2 4.26Å; Y203-F227 AromaticContact CZ-CE2 3.74Å; Y203-F227 AromaticContact CZ-CZ 3.37Å; Y203-F227 WeakPolarHBondContact O-CE2 3.49Å; L206-F227 HydrophobicContact CB-CE2 4.36Å; L206-F227 HydrophobicContact CD2-CD2 3.82Å; L206-F227 HydrophobicContact CD2-CE2 4.2Å; L206-F227 HydrophobicContact CG-CD2 3.92Å; L206-F227 HydrophobicContact CG-CE2 4.17Å; K207-F227 HydrophobicContact CB-CE1 3.95Å; K207-F227 HydrophobicContact CB-CE2 3.88Å; K207-F227 HydrophobicContact CB-CZ 3.38Å; K207-F227 HydrophobicContact CD-CE1 3.89Å; K207-F227 HydrophobicContact CD-CZ 3.93Å; K207-F227 HydrophobicContact CG-CE1 3.67Å; K207-F227 HydrophobicContact CG-CZ 3.65Å; I210-F227 HydrophobicContact CD1-CB 3.5Å; I210-F227 HydrophobicContact CD1-CD2 3.74Å; I210-F227 HydrophobicContact CD1-CG 3.75Å; T219-F227 WeakPolarHBondContact O-CD1 3.39Å; A220-F227 CarbonylContact O-C 3.53Å; A220-F227 WeakPolarHBondContact O-CA 3.31Å; V221-F227 HydrophobicContact CG1-CD1 3.83Å; V221-F227 HydrophobicContact CG1-CE1 4.06Å; F227-P229 VanDerWaalsContact O-CD 3.22Å; F227-P229 WeakPolarHBondContact O-CD 3.44Å |
| 228 | A | 97.3 | Very high | 95.6 | Very high | 22 Ų | 22 | 29.5 Ų | 29.5 | 18% | 0.182 | 18% | 0.176 | C | C | . | . | trans | -118.2 | 57.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112 | A173 A220 | A173-A228 HydrophobicContact CB-CB 3.76Å; A220-A228 PolarHBondContact O-N 2.86Å | ||
| 229 | P | 96.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 18% | 0.182 | C | C | . | . | trans | -63.5 | 151 | 177.1 | 29.4 | -34.8 | 0 | 0 | 0 | 110.9 | I167 N175 I210 A218 F227 I231 | I167-P229 HydrophobicContact CG2-CG 4.42Å; N175-P229 WeakPolarHBondContact CB-O 3.36Å; N175-P229 PolarHBondContact ND2-O 2.68Å; I210-P229 HydrophobicContact CD1-CG 4.18Å; I210-P229 HydrophobicContact CG2-CB 4.05Å; A218-P229 HydrophobicContact CB-CB 4.2Å; F227-P229 VanDerWaalsContact O-CD 3.22Å; F227-P229 WeakPolarHBondContact O-CD 3.44Å; P229-I231 HydrophobicContact CB-CD1 4.44Å; P229-I231 HydrophobicContact CB-CG1 4.45Å; P229-I231 HydrophobicContact CB-CG2 4.47Å; P229-I231 HydrophobicContact CG-CD1 3.69Å; P229-I231 HydrophobicContact CG-CG1 3.99Å; P229-I231 PolarHBondContact O-N 2.84Å | ||
| 230 | N | 92.8 | Very high | 95.8 | Very high | 101 Ų | 101 | 30 Ų | 30 | 54% | 0.54 | 18% | 0.176 | S | C | . | . | trans | -82.5 | 66.2 | 179.4 | -170.3 | 29.2 | 0 | 0 | 0 | 111.9 | K176 | K176-N230 WeakPolarHBondContact CG-OD1 3.4Š| ||
| 231 | I | 91.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 15% | 0.152 | C | C | . | . | trans | -111.4 | 114.7 | 177.8 | 55.4 | -173 | 0 | 0 | 0 | 109.4 | L177 Y214 P229 E236 A237 L240 | L177-I231 WeakPolarHBondContact CB-O 3.22Å; L177-I231 HydrophobicContact CD2-CG1 4.41Å; Y214-I231 HydrophobicContact CD1-CG2 4.14Å; Y214-I231 HydrophobicContact CE1-CG2 3.48Å; Y214-I231 VanDerWaalsContact CE1-CG2 3.48Å; Y214-I231 HydrophobicContact CE2-CG2 4Å; Y214-I231 VanDerWaalsContact CZ-CG2 3.4Å; P229-I231 HydrophobicContact CB-CD1 4.44Å; P229-I231 HydrophobicContact CB-CG1 4.45Å; P229-I231 HydrophobicContact CB-CG2 4.47Å; P229-I231 HydrophobicContact CG-CD1 3.69Å; P229-I231 HydrophobicContact CG-CG1 3.99Å; P229-I231 PolarHBondContact O-N 2.84Å; I231-E236 HydrophobicContact CB-CB 4.22Å; I231-E236 HydrophobicContact CD1-CB 4.33Å; I231-E236 HydrophobicContact CG2-CB 4.32Å; I231-A237 HydrophobicContact CD1-CB 3.77Å; I231-L240 HydrophobicContact CD1-CD1 3.87Å | ||
| 232 | P | 83.3 | Confident | 95.9 | Very high | 70 Ų | 70 | 30.3 Ų | 30.3 | 46% | 0.455 | 16% | 0.163 | S | C | . | . | trans | -77.1 | -30.5 | -179.5 | 29.3 | -32.8 | 0 | 0 | 0 | 112.5 | K176 P234 | K176-P232 HydrophobicContact CB-CB 4.12Å; P232-P234 WeakPolarHBondContact O-CD 3.33Å | ||
| 233 | D | 92.5 | Very high | 96 | Very high | 68 Ų | 68 | 32.7 Ų | 32.7 | 36% | 0.364 | 17% | 0.169 | S | C | . | . | trans | -85.8 | 118.9 | -178.5 | -175 | -1.7 | 0 | 0 | 0 | 111.2 | K235 E236 | D233-K235 PolarHBondContact O-N 3.36Å; D233-K235 VanDerWaalsContact O-N 3.12Å; D233-K235 VanDerWaalsContact OD1-CB 3.25Å; D233-K235 WeakPolarHBondContact OD1-CB 3.37Å; D233-K235 PolarHBondContact OD1-N 3.29Å; D233-K235 WeakPolarHBondContact OD2-CB 3.49Å; D233-E236 HydrophobicContact CB-CG 4.3Å; D233-E236 WeakPolarHBondContact O-CB 3.19Å; D233-E236 PolarHBondContact O-N 3.32Å | ||
| 234 | P | 95.5 | Very high | 96.2 | Very high | 7 Ų | 7 | 29.7 Ų | 29.7 | 5% | 0.045 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -54.3 | -27.6 | 172.7 | -26.6 | 35.9 | 0 | 0 | 0 | 114.3 | L177 M179 F182 P232 E236 A237 L238 Y302 | L177-P234 HydrophobicContact CD1-CB 4.39Å; L177-P234 HydrophobicContact CD1-CG 4.11Å; M179-P234 HydrophobicContact CE-CB 4.31Å; M179-P234 HydrophobicContact CE-CG 3.93Å; M179-P234 HydrophobicContact CG-CB 4.41Å; M179-P234 HydrophobicContact CG-CG 3.98Å; M179-P234 HydrophobicContact SD-CB 3.61Å; M179-P234 HydrophobicContact SD-CG 3.64Å; F182-P234 HydrophobicContact CE1-CB 4.16Å; F182-P234 HydrophobicContact CZ-CB 3.86Å; P232-P234 WeakPolarHBondContact O-CD 3.33Å; P234-E236 VanDerWaalsContact C-N 3.28Å; P234-E236 PolarHBondContact O-N 2.71Å; P234-A237 WeakPolarHBondContact O-CB 3.38Å; P234-A237 PolarHBondContact O-N 2.84Å; P234-L238 WeakPolarHBondContact O-CG 3.13Å; P234-L238 PolarHBondContact O-N 3.35Å; P234-L238 VanDerWaalsContact O-N 3.11Å; P234-Y302 HydrophobicContact CB-CE2 4.28Å; P234-Y302 WeakPolarHBondContact CB-OH 3.46Å |
| 235 | K | 96.7 | Very high | 96.3 | Very high | 72 Ų | 72 | 29.9 Ų | 29.9 | 31% | 0.313 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -61 | -38.5 | 176.3 | -170 | -173.1 | 169.6 | -67.2 | 0 | 111.8 | D233 A237 L238 D239 Y302 Y306 | D233-K235 PolarHBondContact O-N 3.36Å; D233-K235 VanDerWaalsContact O-N 3.12Å; D233-K235 VanDerWaalsContact OD1-CB 3.25Å; D233-K235 WeakPolarHBondContact OD1-CB 3.37Å; D233-K235 PolarHBondContact OD1-N 3.29Å; D233-K235 WeakPolarHBondContact OD2-CB 3.49Å; K235-A237 VanDerWaalsContact C-N 3.3Å; K235-A237 PolarHBondContact O-N 3.23Å; K235-L238 PolarHBondContact O-N 2.96Å; K235-D239 IonicContact NZ-OD1 3.07Å; K235-D239 IonicContact NZ-OD2 2.69Å; K235-D239 PolarHBondContact NZ-OD2 2.85Å; K235-D239 PolarHBondContact O-N 3.46Å; K235-Y302 HydrophobicContact CB-CE1 4.34Å; K235-Y306 HydrophobicContact CG-CE2 4.29Å; K235-Y306 WeakPolarHBondContact CG-OH 3.33Å; K235-Y306 PolarHBondContact NZ-OH 2.94Å |
| 236 | E | 96.6 | Very high | 96.4 | Very high | 62 Ų | 62 | 31.6 Ų | 31.6 | 29% | 0.29 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -64.9 | -36.6 | 177.5 | -70.5 | -172.3 | -122.3 | 0 | 0 | 111.7 | Y214 I231 D233 P234 D239 L240 | Y214-E236 PolarHBondContact OH-OE2 3.45Å; I231-E236 HydrophobicContact CB-CB 4.22Å; I231-E236 HydrophobicContact CD1-CB 4.33Å; I231-E236 HydrophobicContact CG2-CB 4.32Å; D233-E236 HydrophobicContact CB-CG 4.3Å; D233-E236 WeakPolarHBondContact O-CB 3.19Å; D233-E236 PolarHBondContact O-N 3.32Å; P234-E236 VanDerWaalsContact C-N 3.28Å; P234-E236 PolarHBondContact O-N 2.71Å; E236-D239 PolarHBondContact O-N 3.34Å; E236-L240 WeakPolarHBondContact O-CG 3.34Å; E236-L240 PolarHBondContact O-N 2.77Å |
| 237 | A | 97.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63 | -43.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | I167 L177 F182 I231 P234 K235 L240 L241 | I167-A237 HydrophobicContact CD1-CB 3.97Å; I167-A237 HydrophobicContact CG2-CB 4.38Å; L177-A237 HydrophobicContact CD2-CB 4.34Å; F182-A237 HydrophobicContact CD1-CB 3.84Å; F182-A237 HydrophobicContact CD2-CB 4.04Å; F182-A237 HydrophobicContact CE1-CB 3.68Å; F182-A237 HydrophobicContact CE2-CB 3.96Å; F182-A237 HydrophobicContact CG-CB 4.02Å; F182-A237 HydrophobicContact CZ-CB 3.75Å; I231-A237 HydrophobicContact CD1-CB 3.77Å; P234-A237 WeakPolarHBondContact O-CB 3.38Å; P234-A237 PolarHBondContact O-N 2.84Å; K235-A237 VanDerWaalsContact C-N 3.3Å; K235-A237 PolarHBondContact O-N 3.23Å; A237-L240 WeakPolarHBondContact O-CB 3.42Å; A237-L240 PolarHBondContact O-N 3.13Å; A237-L241 WeakPolarHBondContact O-CG 3.33Å; A237-L241 PolarHBondContact O-N 2.82Å |
| 238 | L | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.8 | -38.6 | 176.7 | -66.4 | 168.6 | 0 | 0 | 0 | 112.7 | F182 P234 K235 L241 K242 I256 M258 Y302 Y306 I308 | F182-L238 HydrophobicContact CD1-CD2 3.84Å; F182-L238 HydrophobicContact CD1-CG 4.08Å; F182-L238 HydrophobicContact CE1-CD2 4.18Å; F182-L238 HydrophobicContact CE1-CG 3.99Å; P234-L238 WeakPolarHBondContact O-CG 3.13Å; P234-L238 PolarHBondContact O-N 3.35Å; P234-L238 VanDerWaalsContact O-N 3.11Å; K235-L238 PolarHBondContact O-N 2.96Å; L238-L241 PolarHBondContact O-N 2.88Å; L238-K242 WeakPolarHBondContact O-CB 3.05Å; L238-K242 PolarHBondContact O-N 2.78Å; L238-I256 HydrophobicContact CD2-CD1 4.32Å; L238-I256 HydrophobicContact CD2-CG2 3.83Å; L238-M258 HydrophobicContact CD1-SD 4.31Å; L238-M258 HydrophobicContact CD2-CG 4.49Å; L238-M258 HydrophobicContact CD2-SD 4.02Å; L238-Y302 HydrophobicContact CD1-CD1 3.81Å; L238-Y302 HydrophobicContact CD1-CD2 4.31Å; L238-Y302 HydrophobicContact CD1-CE1 4.34Å; L238-Y302 HydrophobicContact CD1-CG 3.81Å; L238-Y306 HydrophobicContact CB-CD1 3.69Å; L238-Y306 HydrophobicContact CB-CD2 3.9Å; L238-Y306 HydrophobicContact CB-CE1 3.56Å; L238-Y306 HydrophobicContact CB-CE2 3.78Å; L238-Y306 HydrophobicContact CB-CG 3.87Å; L238-Y306 HydrophobicContact CD1-CD2 3.6Å; L238-Y306 HydrophobicContact CD1-CE2 3.76Å; L238-Y306 HydrophobicContact CD1-CG 4.18Å; L238-Y306 HydrophobicContact CG-CD2 4.26Å; L238-Y306 HydrophobicContact CG-CE2 4.4Å; L238-Y306 HydrophobicContact CG-CG 4.42Å; L238-I308 HydrophobicContact CD1-CD1 4.18Å; L238-I308 HydrophobicContact CD2-CD1 4.05Å; L238-I308 HydrophobicContact CD2-CG1 4.35Å |
| 239 | D | 98.2 | Very high | 96.4 | Very high | 43 Ų | 43 | 39.4 Ų | 39.4 | 23% | 0.23 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64 | -40.8 | 174.7 | -75.3 | -27.2 | 0 | 0 | 0 | 112 | K235 E236 K242 E243 Y306 | K235-D239 IonicContact NZ-OD1 3.07Å; K235-D239 IonicContact NZ-OD2 2.69Å; K235-D239 PolarHBondContact NZ-OD2 2.85Å; K235-D239 PolarHBondContact O-N 3.46Å; E236-D239 PolarHBondContact O-N 3.34Å; D239-K242 PolarHBondContact O-N 2.89Å; D239-E243 WeakPolarHBondContact O-CB 3.23Å; D239-E243 PolarHBondContact O-N 2.79Å; D239-Y306 VanDerWaalsContact CG-OH 3.24Å; D239-Y306 VanDerWaalsContact OD1-CE1 3.29Å; D239-Y306 WeakPolarHBondContact OD1-CE1 3.47Å; D239-Y306 PolarHBondContact OD1-OH 3.49Å |
| 240 | L | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.7 | -44.9 | 173.1 | -81.1 | 170.4 | 0 | 0 | 0 | 112 | I167 L206 C209 I210 Y214 I231 E236 A237 E243 A244 | I167-L240 HydrophobicContact CD1-CB 4.35Å; I167-L240 HydrophobicContact CD1-CD1 4.39Å; L206-L240 HydrophobicContact CD1-CB 3.89Å; C209-L240 HydrophobicContact CB-CD2 4.08Å; I210-L240 HydrophobicContact CD1-CD1 4.45Å; I210-L240 HydrophobicContact CG1-CD1 3.83Å; I210-L240 HydrophobicContact CG1-CD2 4.04Å; Y214-L240 HydrophobicContact CE2-CD1 3.88Å; Y214-L240 HydrophobicContact CE2-CD2 4.13Å; Y214-L240 HydrophobicContact CE2-CG 4.3Å; I231-L240 HydrophobicContact CD1-CD1 3.87Å; E236-L240 WeakPolarHBondContact O-CG 3.34Å; E236-L240 PolarHBondContact O-N 2.77Å; A237-L240 WeakPolarHBondContact O-CB 3.42Å; A237-L240 PolarHBondContact O-N 3.13Å; L240-E243 PolarHBondContact O-N 2.93Å; L240-A244 WeakPolarHBondContact O-CB 3.47Å; L240-A244 PolarHBondContact O-N 2.74Å |
| 241 | L | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.3 | -45 | 177.2 | -66.9 | -167.6 | 0 | 0 | 0 | 111.5 | V166 I167 F182 L184 L206 A237 L238 E243 A244 I245 I256 | V166-L241 HydrophobicContact CG2-CD2 3.51Å; I167-L241 HydrophobicContact CD1-CD2 3.76Å; I167-L241 HydrophobicContact CD1-CG 4.05Å; I167-L241 HydrophobicContact CG1-CD2 4.13Å; F182-L241 HydrophobicContact CB-CD1 3.67Å; L184-L241 HydrophobicContact CD2-CD1 4.47Å; L184-L241 HydrophobicContact CD2-CD2 4.19Å; L206-L241 HydrophobicContact CD1-CD2 4.15Å; L206-L241 HydrophobicContact CD2-CD2 3.73Å; A237-L241 WeakPolarHBondContact O-CG 3.33Å; A237-L241 PolarHBondContact O-N 2.82Å; L238-L241 PolarHBondContact O-N 2.88Å; L241-E243 VanDerWaalsContact C-N 3.34Å; L241-E243 PolarHBondContact O-N 3.29Å; L241-A244 PolarHBondContact O-N 3.45Å; L241-I245 WeakPolarHBondContact O-CB 3.44Å; L241-I245 WeakPolarHBondContact O-CD1 3.16Å; L241-I245 WeakPolarHBondContact O-CG1 3.36Å; L241-I245 PolarHBondContact O-N 2.8Å; L241-I256 HydrophobicContact CB-CD1 3.84Å; L241-I256 HydrophobicContact CB-CG1 4.46Å; L241-I256 HydrophobicContact CD1-CD1 4.18Å; L241-I256 HydrophobicContact CD1-CG1 4.23Å; L241-I256 HydrophobicContact CD1-CG2 4.01Å |
| 242 | K | 98.2 | Very high | 97 | Very high | 106 Ų | 106 | 44.1 Ų | 44.1 | 46% | 0.461 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -58.1 | -46.4 | 176.8 | -175.4 | 177.9 | 179.6 | 175.8 | 0 | 111.5 | L238 D239 A246 Y306 | L238-K242 WeakPolarHBondContact O-CB 3.05Å; L238-K242 PolarHBondContact O-N 2.78Å; D239-K242 PolarHBondContact O-N 2.89Å; K242-A246 WeakPolarHBondContact O-CB 3.5Å; K242-A246 PolarHBondContact O-N 2.74Å; K242-A246 VanDerWaalsContact O-N 3.07Å; K242-Y306 HydrophobicContact CD-CD1 4.42Å; K242-Y306 HydrophobicContact CD-CE1 4.43Å |
| 243 | E | 98.3 | Very high | 97.7 | Very high | 67 Ų | 67 | 45.9 Ų | 45.9 | 31% | 0.313 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -61.2 | -47.5 | 176 | -173.3 | -170.1 | 148.1 | 0 | 0 | 111.6 | C209 R213 D239 L240 L241 I245 A246 K247 | C209-E243 PolarHBondContact SG-OE1 2.88Å; R213-E243 IonicContact CZ-OE2 3.73Å; R213-E243 IonicContact NE-OE2 2.67Å; R213-E243 PolarHBondContact NE-OE2 3.33Å; R213-E243 IonicContact NH2-OE2 2.77Å; R213-E243 PolarHBondContact NH2-OE2 2.93Å; D239-E243 WeakPolarHBondContact O-CB 3.23Å; D239-E243 PolarHBondContact O-N 2.79Å; L240-E243 PolarHBondContact O-N 2.93Å; L241-E243 VanDerWaalsContact C-N 3.34Å; L241-E243 PolarHBondContact O-N 3.29Å; E243-I245 PolarHBondContact O-N 2.72Å; E243-A246 PolarHBondContact O-N 2.89Å; E243-K247 VanDerWaalsContact O-CB 3.29Å; E243-K247 WeakPolarHBondContact O-CB 3.46Å; E243-K247 PolarHBondContact O-N 3.18Å |
| 244 | A | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.5 | -39 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | V202 L206 L240 L241 S248 | V202-A244 HydrophobicContact CG1-CB 3.84Å; L206-A244 HydrophobicContact CB-CB 3.76Å; L206-A244 HydrophobicContact CD1-CB 4.15Å; L240-A244 WeakPolarHBondContact O-CB 3.47Å; L240-A244 PolarHBondContact O-N 2.74Å; L241-A244 PolarHBondContact O-N 3.45Å; A244-S248 WeakPolarHBondContact O-CB 3.35Å; A244-S248 PolarHBondContact O-N 2.66Å; A244-S248 VanDerWaalsContact O-N 3.14Å; A244-S248 PolarHBondContact O-OG 2.94Å |
| 245 | I | 98.8 | Very high | 98.1 | Very high | 7 Ų | 7 | 44.6 Ų | 44.6 | 4% | 0.036 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.5 | -47.9 | 175.3 | -69.4 | 164.7 | 0 | 0 | 0 | 110.4 | L184 V202 L241 E243 S248 G249 Y250 E251 I254 I256 | L184-I245 HydrophobicContact CD2-CD1 3.86Å; L184-I245 HydrophobicContact CD2-CG1 3.96Å; V202-I245 HydrophobicContact CG1-CG1 3.98Å; L241-I245 WeakPolarHBondContact O-CB 3.44Å; L241-I245 WeakPolarHBondContact O-CD1 3.16Å; L241-I245 WeakPolarHBondContact O-CG1 3.36Å; L241-I245 PolarHBondContact O-N 2.8Å; E243-I245 PolarHBondContact O-N 2.72Å; I245-S248 PolarHBondContact O-N 3Å; I245-G249 PolarHBondContact O-N 3.46Å; I245-Y250 PolarHBondContact O-N 3.3Å; I245-Y250 VanDerWaalsContact O-N 3.17Å; I245-E251 HydrophobicContact CG2-CG 4.35Å; I245-I254 HydrophobicContact CD1-CB 4.3Å; I245-I254 HydrophobicContact CD1-CG2 3.79Å; I245-I254 HydrophobicContact CG1-CB 4.29Å; I245-I254 HydrophobicContact CG1-CG2 4.01Å; I245-I254 HydrophobicContact CG2-CB 4.25Å; I245-I256 HydrophobicContact CD1-CD1 4.43Å; I245-I256 HydrophobicContact CD1-CG1 4.16Å |
| 246 | A | 98.5 | Very high | 98.3 | Very high | 37 Ų | 37 | 41.2 Ų | 41.2 | 31% | 0.306 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -61.2 | -46.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | K242 E243 S248 G249 E251 | K242-A246 WeakPolarHBondContact O-CB 3.5Å; K242-A246 PolarHBondContact O-N 2.74Å; K242-A246 VanDerWaalsContact O-N 3.07Å; E243-A246 PolarHBondContact O-N 2.89Å; A246-S248 PolarHBondContact O-N 3.46Å; A246-S248 VanDerWaalsContact O-N 3.15Å; A246-G249 PolarHBondContact O-N 3.46Å; A246-E251 HydrophobicContact CB-CG 3.93Å |
| 247 | K | 98.4 | Very high | 98.4 | Very high | 117 Ų | 117 | 38.2 Ų | 38.2 | 51% | 0.509 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -59.4 | -27.1 | 176.4 | -173.8 | 173.5 | 179.3 | 178.5 | 0 | 113.3 | N205 E243 | N205-K247 HydrophobicContact CB-CD 4.28Å; E243-K247 VanDerWaalsContact O-CB 3.29Å; E243-K247 WeakPolarHBondContact O-CB 3.46Å; E243-K247 PolarHBondContact O-N 3.18Å |
| 248 | S | 98.5 | Very high | 98.4 | Very high | 16 Ų | 16 | 38.2 Ų | 38.2 | 11% | 0.112 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -3.5 | 178.2 | -49.3 | 0 | 0 | 0 | 0 | 113.5 | V202 N205 A244 I245 A246 Y250 | V202-S248 WeakPolarHBondContact CA-OG 3.32Å; N205-S248 PolarHBondContact ND2-OG 2.85Å; A244-S248 WeakPolarHBondContact O-CB 3.35Å; A244-S248 PolarHBondContact O-N 2.66Å; A244-S248 VanDerWaalsContact O-N 3.14Å; A244-S248 PolarHBondContact O-OG 2.94Å; I245-S248 PolarHBondContact O-N 3Å; A246-S248 PolarHBondContact O-N 3.46Å; A246-S248 VanDerWaalsContact O-N 3.15Å; S248-Y250 WeakPolarHBondContact O-CE2 3.23Å |
| 249 | G | 98.4 | Very high | 98.4 | Very high | 55 Ų | 55 | 38.3 Ų | 38.3 | 57% | 0.567 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 72.5 | 24.3 | -179 | 0 | 0 | 0 | 0 | 0 | 114.4 | I245 A246 | I245-G249 PolarHBondContact O-N 3.46Å; A246-G249 PolarHBondContact O-N 3.46Å |
| 250 | Y | 98.6 | Very high | 98.4 | Very high | 20 Ų | 20 | 36.2 Ų | 36.2 | 8% | 0.078 | 20% | 0.199 | C | C | . | . | trans | -112.5 | 20.4 | -176.6 | -59.1 | -43.4 | 0 | 0 | 0 | 114.7 | R197 M198 E201 V202 I245 S248 G252 K253 I254 | R197-Y250 PolarHBondContact NH1-OH 3.01Å; R197-Y250 PolarHBondContact NH2-OH 2.9Å; M198-Y250 HydrophobicContact CB-CD2 4.08Å; M198-Y250 HydrophobicContact CB-CE2 3.97Å; M198-Y250 HydrophobicContact CB-CG 4.5Å; M198-Y250 HydrophobicContact CE-CD1 3.88Å; M198-Y250 HydrophobicContact CE-CG 3.92Å; M198-Y250 HydrophobicContact CG-CD1 4.01Å; M198-Y250 HydrophobicContact CG-CD2 4.16Å; M198-Y250 HydrophobicContact CG-CE1 3.74Å; M198-Y250 HydrophobicContact CG-CE2 3.91Å; M198-Y250 HydrophobicContact CG-CG 4.24Å; M198-Y250 HydrophobicContact SD-CD1 4.39Å; M198-Y250 HydrophobicContact SD-CE1 4.48Å; E201-Y250 HydrophobicContact CB-CE2 4.23Å; E201-Y250 WeakPolarHBondContact OE2-CE2 3.29Å; E201-Y250 VanDerWaalsContact OE2-CZ 3.31Å; E201-Y250 PolarHBondContact OE2-OH 3.45Å; V202-Y250 HydrophobicContact CG2-CD2 3.73Å; V202-Y250 HydrophobicContact CG2-CE2 4.43Å; I245-Y250 PolarHBondContact O-N 3.3Å; I245-Y250 VanDerWaalsContact O-N 3.17Å; S248-Y250 WeakPolarHBondContact O-CE2 3.23Å; Y250-G252 PolarHBondContact O-N 2.94Å; Y250-K253 PolarHBondContact O-N 3.5Å; Y250-I254 HydrophobicContact CD2-CD1 3.81Å; Y250-I254 HydrophobicContact CG-CD1 4.01Å; Y250-I254 PolarHBondContact O-N 3.45Å | ||
| 251 | E | 97.6 | Very high | 98.4 | Very high | 130 Ų | 130 | 36.3 Ų | 36.3 | 61% | 0.607 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | 138.3 | 171 | -71.9 | 175.8 | 106.2 | 0 | 0 | 111 | I245 A246 K253 | I245-E251 HydrophobicContact CG2-CG 4.35Å; A246-E251 HydrophobicContact CB-CG 3.93Å; E251-K253 PolarHBondContact O-N 2.99Å |
| 252 | G | 96.4 | Very high | 98.4 | Very high | 50 Ų | 50 | 36.3 Ų | 36.3 | 52% | 0.515 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.3 | -31.3 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y250 K255 | Y250-G252 PolarHBondContact O-N 2.94Å; G252-K255 PolarHBondContact O-NZ 3.26Å |
| 253 | K | 98.5 | Very high | 98.3 | Very high | 106 Ų | 106 | 32.4 Ų | 32.4 | 46% | 0.461 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90 | -28.5 | -177.2 | -57.2 | -176.1 | 179 | 178.6 | 0 | 114.4 | P186 V187 G188 M198 Y250 E251 | P186-K253 CarbonylContact C-O 3.54Å; V187-K253 PolarHBondContact N-O 2.96Å; G188-K253 PolarHBondContact N-O 3.48Å; M198-K253 HydrophobicContact CE-CB 3.61Å; M198-K253 HydrophobicContact CE-CD 4.33Å; Y250-K253 PolarHBondContact O-N 3.5Å; E251-K253 PolarHBondContact O-N 2.99Å |
| 254 | I | 98.8 | Very high | 98.2 | Very high | 3 Ų | 3 | 32.1 Ų | 32.1 | 2% | 0.015 | 19% | 0.185 | C | C | . | . | trans | -107.3 | 128.4 | 171.7 | -63.7 | 175.2 | 0 | 0 | 0 | 108.9 | L184 M185 P186 M198 V202 I245 Y250 | L184-I254 HydrophobicContact CB-CG2 3.94Å; L184-I254 HydrophobicContact CD2-CG2 4Å; M185-I254 WeakPolarHBondContact O-CA 3.16Å; P186-I254 HydrophobicContact CB-CG1 4.08Å; M198-I254 HydrophobicContact CB-CD1 4.21Å; M198-I254 HydrophobicContact CE-CD1 4.12Å; M198-I254 HydrophobicContact CE-CG1 3.63Å; V202-I254 HydrophobicContact CB-CD1 4.46Å; V202-I254 HydrophobicContact CG2-CD1 3.38Å; I245-I254 HydrophobicContact CD1-CB 4.3Å; I245-I254 HydrophobicContact CD1-CG2 3.79Å; I245-I254 HydrophobicContact CG1-CB 4.29Å; I245-I254 HydrophobicContact CG1-CG2 4.01Å; I245-I254 HydrophobicContact CG2-CB 4.25Å; Y250-I254 HydrophobicContact CD2-CD1 3.81Å; Y250-I254 HydrophobicContact CG-CD1 4.01Å; Y250-I254 PolarHBondContact O-N 3.45Å | ||
| 255 | K | 98.6 | Very high | 98.1 | Very high | 46 Ų | 46 | 32.1 Ų | 32.1 | 20% | 0.2 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 170.3 | 170.6 | -52.2 | -60 | -176 | -163.8 | 0 | 109.8 | M185 V187 G252 P307 V309 | M185-K255 PolarHBondContact N-O 3.15Å; M185-K255 PolarHBondContact O-N 2.71Å; V187-K255 HydrophobicContact CG1-CG 4.41Å; V187-K255 HydrophobicContact CG2-CD 4.36Å; V187-K255 HydrophobicContact CG2-CG 3.5Å; G252-K255 PolarHBondContact O-NZ 3.26Å; K255-P307 WeakPolarHBondContact CB-O 3.4Å; K255-P307 HydrophobicContact CD-CB 4.19Å; K255-V309 HydrophobicContact CB-CB 4.32Å; K255-V309 HydrophobicContact CB-CG1 3.79Å; K255-V309 HydrophobicContact CB-CG2 3.57Å; K255-V309 HydrophobicContact CD-CG1 4.15Å; K255-V309 HydrophobicContact CG-CG1 3.77Å; K255-V309 HydrophobicContact CG-CG2 4.19Å |
| 256 | I | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 143.7 | 177.7 | -63.1 | 174.1 | 0 | 0 | 0 | 109.4 | M183 L238 L241 I245 M258 P307 I308 V309 | M183-I256 WeakPolarHBondContact O-CA 3.46Å; L238-I256 HydrophobicContact CD2-CD1 4.32Å; L238-I256 HydrophobicContact CD2-CG2 3.83Å; L241-I256 HydrophobicContact CB-CD1 3.84Å; L241-I256 HydrophobicContact CB-CG1 4.46Å; L241-I256 HydrophobicContact CD1-CD1 4.18Å; L241-I256 HydrophobicContact CD1-CG1 4.23Å; L241-I256 HydrophobicContact CD1-CG2 4.01Å; I245-I256 HydrophobicContact CD1-CD1 4.43Å; I245-I256 HydrophobicContact CD1-CG1 4.16Å; I256-M258 HydrophobicContact CG2-CG 4.46Å; I256-P307 HydrophobicContact CD1-CG 4.43Å; I256-P307 PolarHBondContact N-O 3.11Å; I256-I308 HydrophobicContact CB-CG1 4.07Å; I256-I308 HydrophobicContact CG2-CG1 3.98Å; I256-I308 CarbonylContact O-C 3.54Å; I256-I308 VanDerWaalsContact O-CA 3.26Å; I256-I308 WeakPolarHBondContact O-CA 3.25Å; I256-V309 PolarHBondContact O-N 2.78Å |
| 257 | A | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 160.6 | 163.2 | 0 | 0 | 0 | 0 | 0 | 110 | M183 M185 S310 | M183-A257 HydrophobicContact CB-CB 3.96Å; M183-A257 HydrophobicContact CE-CB 3.98Å; M183-A257 PolarHBondContact N-O 3.28Å; M183-A257 PolarHBondContact O-N 2.76Å; M185-A257 HydrophobicContact CG-CB 4.02Å; M185-A257 HydrophobicContact SD-CB 3.58Å; M185-A257 VanDerWaalsContact SD-CB 3.58Å; A257-S310 CarbonylContact C-O 3.13Å; A257-S310 VanDerWaalsContact CA-O 3.23Å; A257-S310 WeakPolarHBondContact CA-O 3.25Å |
| 258 | M | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 141.4 | 179.8 | -62.1 | 172.1 | 61.2 | 0 | 0 | 110.2 | M179 E181 F182 L238 I256 Y302 I308 S310 I311 E312 | M179-M258 HydrophobicContact SD-CE 3.31Å; M179-M258 WeakPolarHBondContact SD-CE 3.25Å; E181-M258 WeakPolarHBondContact O-CA 3.3Å; F182-M258 HydrophobicContact CD1-CE 4.3Å; F182-M258 HydrophobicContact CD1-CG 4.2Å; F182-M258 HydrophobicContact CE1-CE 3.71Å; F182-M258 HydrophobicContact CE1-SD 4.48Å; F182-M258 HydrophobicContact CZ-CE 4.28Å; L238-M258 HydrophobicContact CD1-SD 4.31Å; L238-M258 HydrophobicContact CD2-CG 4.49Å; L238-M258 HydrophobicContact CD2-SD 4.02Å; I256-M258 HydrophobicContact CG2-CG 4.46Å; M258-Y302 HydrophobicContact CE-CD2 4.26Å; M258-Y302 HydrophobicContact CE-CE2 4.47Å; M258-I308 HydrophobicContact SD-CD1 3.63Å; M258-I308 HydrophobicContact SD-CG1 4.34Å; M258-S310 PolarHBondContact N-O 2.48Å; M258-I311 HydrophobicContact CB-CG1 4.43Å; M258-I311 CarbonylContact O-C 3.56Å; M258-I311 WeakPolarHBondContact O-CA 3.48Å; M258-E312 PolarHBondContact O-N 3.29Å |
| 259 | D | 98.6 | Very high | 97.6 | Very high | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 116.4 | 159.1 | 175.7 | 10.6 | 0 | 0 | 0 | 107.8 | Q180 E181 M183 A261 E312 K413 | Q180-D259 PolarHBondContact N-O 2.8Å; Q180-D259 PolarHBondContact NE2-OD2 2.83Å; Q180-D259 VanDerWaalsContact NE2-OD2 3.16Å; E181-D259 HydrophobicContact CB-CB 3.89Å; E181-D259 HydrophobicContact CG-CB 3.98Å; E181-D259 PolarHBondContact N-O 2.75Å; E181-D259 PolarHBondContact O-N 3.07Å; M183-D259 HydrophobicContact CE-CB 4.12Å; D259-A261 PolarHBondContact OD1-N 2.67Å; D259-E312 HydrophobicContact CB-CB 4.12Å; D259-E312 HydrophobicContact CB-CG 4.23Å; D259-K413 IonicContact OD2-NZ 3.43Å; D259-K413 PolarHBondContact OD2-NZ 3.25Å |
| 260 | V | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | trans | -84 | -38.1 | -178.2 | 175.2 | 0 | 0 | 0 | 0 | 110.3 | M179 Q180 A262 F265 Y299 I311 E312 D313 | M179-V260 HydrophobicContact CG-CG1 4.31Å; M179-V260 HydrophobicContact SD-CG2 4.4Å; Q180-V260 PolarHBondContact N-O 3.2Å; V260-A262 HydrophobicContact CG1-CB 3.82Å; V260-F265 HydrophobicContact CG1-CE1 3.93Å; V260-F265 HydrophobicContact CG1-CZ 3.48Å; V260-F265 VanDerWaalsContact CG1-CZ 3.48Å; V260-F265 WeakPolarHBondContact O-CE1 3.31Å; V260-Y299 HydrophobicContact CG1-CE1 4.45Å; V260-Y299 VanDerWaalsContact CG1-OH 3.24Å; V260-Y299 WeakPolarHBondContact CG1-OH 3.47Å; V260-Y299 HydrophobicContact CG2-CE1 3.82Å; V260-I311 HydrophobicContact CG2-CG2 3.92Å; V260-E312 PolarHBondContact N-O 2.9Å; V260-D313 WeakPolarHBondContact CB-O 3.3Å | ||
| 261 | A | 97.6 | Very high | 97.1 | Very high | 2 Ų | 2 | 44.7 Ų | 44.7 | 2% | 0.017 | 24% | 0.243 | C | C | . | . | trans | 49.1 | 50.5 | -168.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q180 D259 S263 E264 | Q180-A261 HydrophobicContact CB-CB 3.78Å; Q180-A261 HydrophobicContact CG-CB 4.36Å; D259-A261 PolarHBondContact OD1-N 2.67Å; A261-S263 PolarHBondContact O-N 3.32Å; A261-S263 VanDerWaalsContact O-N 3.08Å; A261-E264 HydrophobicContact CB-CG 4.07Å; A261-E264 WeakPolarHBondContact O-CB 3.37Å; A261-E264 PolarHBondContact O-N 2.83Å | ||
| 262 | A | 98.2 | Very high | 97 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -62.4 | -22.2 | -169 | 0 | 0 | 0 | 0 | 0 | 115 | V260 E264 F265 F266 Y275 D313 | V260-A262 HydrophobicContact CG1-CB 3.82Å; A262-E264 PolarHBondContact O-N 2.77Å; A262-F265 HydrophobicContact CB-CE1 4.44Å; A262-F265 HydrophobicContact CB-CE2 3.99Å; A262-F265 HydrophobicContact CB-CZ 3.82Å; A262-F265 PolarHBondContact O-N 2.93Å; A262-F266 PolarHBondContact O-N 2.77Å; A262-F266 VanDerWaalsContact O-N 3.13Å; A262-Y275 HydrophobicContact CB-CD1 4.16Å; A262-Y275 HydrophobicContact CB-CE1 3.84Å; A262-D313 VanDerWaalsContact CB-O 3.26Å; A262-D313 WeakPolarHBondContact CB-O 3.34Å; A262-D313 PolarHBondContact N-O 3.05Å |
| 263 | S | 97.6 | Very high | 96.9 | Very high | 23 Ų | 23 | 47.9 Ų | 47.9 | 16% | 0.161 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -57 | -33.1 | 172.2 | -56.8 | 0 | 0 | 0 | 0 | 112.6 | A261 F265 F266 Q317 | A261-S263 PolarHBondContact O-N 3.32Å; A261-S263 VanDerWaalsContact O-N 3.08Å; S263-F265 VanDerWaalsContact C-N 3.25Å; S263-F265 PolarHBondContact O-N 2.9Å; S263-F266 PolarHBondContact O-N 2.91Å; S263-Q317 PolarHBondContact OG-N 2.98Å; S263-Q317 VanDerWaalsContact OG-N 3.14Å |
| 264 | E | 96.1 | Very high | 96.9 | Very high | 62 Ų | 62 | 43.9 Ų | 43.9 | 29% | 0.29 | 22% | 0.224 | S | C | . | . | G | 310 helix | trans | -69 | -23.8 | -176.6 | -62.8 | -66.1 | 120.8 | 0 | 0 | 113.3 | S54 S171 A261 A262 | S54-E264 WeakPolarHBondContact CB-OE1 3.47Å; S54-E264 PolarHBondContact OG-OE1 3.13Å; S171-E264 PolarHBondContact OG-OE2 3Å; A261-E264 HydrophobicContact CB-CG 4.07Å; A261-E264 WeakPolarHBondContact O-CB 3.37Å; A261-E264 PolarHBondContact O-N 2.83Å; A262-E264 PolarHBondContact O-N 2.77Å |
| 265 | F | 96.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -120.9 | 14.6 | -179.9 | 57.6 | -105 | 0 | 0 | 0 | 113.4 | A178 V260 A262 S263 Y275 D276 L277 F279 M295 | A178-F265 HydrophobicContact CB-CD1 4.29Å; A178-F265 HydrophobicContact CB-CE1 4.44Å; V260-F265 HydrophobicContact CG1-CE1 3.93Å; V260-F265 HydrophobicContact CG1-CZ 3.48Å; V260-F265 VanDerWaalsContact CG1-CZ 3.48Å; V260-F265 WeakPolarHBondContact O-CE1 3.31Å; A262-F265 HydrophobicContact CB-CE1 4.44Å; A262-F265 HydrophobicContact CB-CE2 3.99Å; A262-F265 HydrophobicContact CB-CZ 3.82Å; A262-F265 PolarHBondContact O-N 2.93Å; S263-F265 VanDerWaalsContact C-N 3.25Å; S263-F265 PolarHBondContact O-N 2.9Å; F265-Y275 AromaticContact CD2-CD1 3.9Å; F265-Y275 HydrophobicContact CD2-CD1 3.9Å; F265-Y275 HydrophobicContact CD2-CG 4.42Å; F265-Y275 AromaticContact CE2-CD1 3.73Å; F265-Y275 HydrophobicContact CE2-CD1 3.73Å; F265-Y275 HydrophobicContact CE2-CG 4.26Å; F265-Y275 WeakPolarHBondContact O-CA 3.38Å; F265-D276 WeakPolarHBondContact CB-O 3.28Å; F265-D276 PolarHBondContact O-N 2.77Å; F265-L277 HydrophobicContact CD2-CD2 4.05Å; F265-L277 HydrophobicContact CE1-CD2 4.5Å; F265-L277 HydrophobicContact CE2-CD2 3.61Å; F265-L277 HydrophobicContact CZ-CD2 3.84Å; F265-F279 HydrophobicContact CB-CB 3.81Å; F265-F279 HydrophobicContact CB-CD1 3.53Å; F265-F279 HydrophobicContact CB-CE1 4.16Å; F265-F279 HydrophobicContact CB-CG 3.71Å; F265-F279 HydrophobicContact CD1-CD1 4.44Å; F265-F279 HydrophobicContact CD1-CE1 4.38Å; F265-F279 HydrophobicContact CG-CD1 4.4Å; F265-M295 HydrophobicContact CE2-CE 4.04Å; F265-M295 HydrophobicContact CZ-CE 4.33Å |
| 266 | F | 97.6 | Very high | 96.8 | Very high | 43 Ų | 43 | 41.7 Ų | 41.7 | 19% | 0.189 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 135.7 | 170.8 | 178.6 | -95.4 | 0 | 0 | 0 | 111.1 | A262 S263 K273 L274 Y275 E316 | A262-F266 PolarHBondContact O-N 2.77Å; A262-F266 VanDerWaalsContact O-N 3.13Å; S263-F266 PolarHBondContact O-N 2.91Å; F266-K273 HydrophobicContact CE2-CB 3.68Å; F266-K273 HydrophobicContact CE2-CD 4.32Å; F266-K273 HydrophobicContact CE2-CG 4.19Å; F266-K273 HydrophobicContact CZ-CB 3.68Å; F266-K273 HydrophobicContact CZ-CD 3.84Å; F266-K273 HydrophobicContact CZ-CG 3.68Å; F266-L274 WeakPolarHBondContact CA-O 3.21Å; F266-Y275 HydrophobicContact CB-CD1 4.3Å; F266-Y275 HydrophobicContact CB-CE1 4.19Å; F266-Y275 HydrophobicContact CD2-CD1 4.16Å; F266-Y275 AromaticContact CD2-CE1 3.69Å; F266-Y275 HydrophobicContact CD2-CE1 3.69Å; F266-Y275 HydrophobicContact CD2-CE2 4.3Å; F266-Y275 AromaticContact CD2-CZ 3.77Å; F266-Y275 HydrophobicContact CG-CE1 4.44Å; F266-E316 HydrophobicContact CB-CB 3.92Å; F266-E316 HydrophobicContact CB-CG 3.84Å; F266-E316 HydrophobicContact CD1-CB 4.33Å; F266-E316 HydrophobicContact CD1-CG 3.74Å; F266-E316 HydrophobicContact CD2-CB 3.61Å; F266-E316 HydrophobicContact CD2-CG 3.98Å; F266-E316 HydrophobicContact CE1-CG 4.24Å; F266-E316 HydrophobicContact CE2-CB 4.11Å; F266-E316 HydrophobicContact CE2-CG 4.41Å; F266-E316 HydrophobicContact CG-CB 3.7Å; F266-E316 HydrophobicContact CG-CG 3.58Å |
| 267 | K | 96.5 | Very high | 96.7 | Very high | 65 Ų | 65 | 43.6 Ų | 43.6 | 28% | 0.283 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 141.1 | 178.2 | -65.2 | -177.3 | 179.2 | 173.8 | 0 | 110.6 | L274 D276 W289 | K267-L274 PolarHBondContact N-O 3.09Å; K267-L274 PolarHBondContact O-N 3.05Å; K267-L274 VanDerWaalsContact O-O 3.09Å; K267-D276 HydrophobicContact CD-CB 4.04Å; K267-D276 WeakPolarHBondContact CE-OD2 3.36Å; K267-D276 IonicContact NZ-OD2 3.55Å; K267-D276 PolarHBondContact NZ-OD2 3.45Å; K267-W289 HydrophobicContact CB-CE3 4.23Å; K267-W289 HydrophobicContact CB-CH2 4.25Å; K267-W289 HydrophobicContact CB-CZ3 3.7Å; K267-W289 HydrophobicContact CD-CE3 4.42Å; K267-W289 HydrophobicContact CD-CH2 3.38Å; K267-W289 HydrophobicContact CD-CZ2 3.76Å; K267-W289 HydrophobicContact CD-CZ3 3.72Å; K267-W289 HydrophobicContact CG-CH2 4.44Å; K267-W289 HydrophobicContact CG-CZ3 4.34Å |
| 268 | E | 94.7 | Very high | 96.6 | Very high | 142 Ų | 142 | 46.3 Ų | 46.3 | 66% | 0.664 | 24% | 0.239 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 123.9 | 163.6 | -168.2 | 175.6 | 147.9 | 0 | 0 | 109.4 | K272 | E268-K272 WeakPolarHBondContact CA-O 3.2Å |
| 269 | H | 94.2 | Very high | 96.4 | Very high | 65 Ų | 65 | 48.3 Ų | 48.3 | 30% | 0.301 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 127.1 | 179.6 | 179.6 | 75.8 | 0 | 0 | 0 | 110.3 | G271 K272 L274 P286 W289 | H269-G271 PolarHBondContact O-N 2.94Å; H269-K272 PolarHBondContact N-O 2.91Å; H269-K272 WeakPolarHBondContact O-CB 3.1Å; H269-K272 PolarHBondContact O-N 3.28Å; H269-L274 HydrophobicContact CB-CD1 4.48Å; H269-P286 WeakPolarHBondContact NE2-CB 3.05Å; H269-W289 HydrophobicContact CB-CE3 4.16Å; H269-W289 HydrophobicContact CB-CH2 4.49Å; H269-W289 HydrophobicContact CB-CZ3 3.56Å; H269-W289 AromaticContact CG-CZ3 3.94Å |
| 270 | D | 93.1 | Very high | 96.2 | Very high | 136 Ų | 136 | 51.5 Ų | 51.5 | 73% | 0.727 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.6 | 40.7 | -173.8 | -62.2 | -18.6 | 0 | 0 | 0 | 113.4 | K272 | D270-K272 PolarHBondContact O-N 2.9Š|
| 271 | G | 93.1 | Very high | 96 | Very high | 65 Ų | 65 | 54.1 Ų | 54.1 | 67% | 0.67 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.3 | 9.9 | -178 | 0 | 0 | 0 | 0 | 0 | 114.7 | H269 | H269-G271 PolarHBondContact O-N 2.94Š|
| 272 | K | 95.1 | Very high | 95.7 | Very high | 134 Ų | 134 | 60.2 Ų | 60.2 | 58% | 0.583 | 32% | 0.315 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 136.5 | 176.9 | -60.9 | 175 | -175.4 | 169.2 | 0 | 110.6 | E268 H269 D270 L274 | E268-K272 WeakPolarHBondContact CA-O 3.2Å; H269-K272 PolarHBondContact N-O 2.91Å; H269-K272 WeakPolarHBondContact O-CB 3.1Å; H269-K272 PolarHBondContact O-N 3.28Å; D270-K272 PolarHBondContact O-N 2.9Å; K272-L274 HydrophobicContact CB-CD1 4.21Å; K272-L274 HydrophobicContact CB-CD2 4.33Å; K272-L274 HydrophobicContact CB-CG 4.01Å |
| 273 | K | 96.2 | Very high | 95.6 | Very high | 113 Ų | 113 | 69 Ų | 69 | 49% | 0.491 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 111.5 | 171 | -66.6 | -168.2 | 172 | -167.4 | 0 | 109.6 | F266 | F266-K273 HydrophobicContact CE2-CB 3.68Å; F266-K273 HydrophobicContact CE2-CD 4.32Å; F266-K273 HydrophobicContact CE2-CG 4.19Å; F266-K273 HydrophobicContact CZ-CB 3.68Å; F266-K273 HydrophobicContact CZ-CD 3.84Å; F266-K273 HydrophobicContact CZ-CG 3.68Å |
| 274 | L | 98.1 | Very high | 95.5 | Very high | 21 Ų | 21 | 68.6 Ų | 68.6 | 11% | 0.11 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 161.5 | -172.5 | -61.3 | 175.6 | 0 | 0 | 0 | 111.4 | F266 K267 H269 K272 W289 K290 N291 | F266-L274 WeakPolarHBondContact CA-O 3.21Å; K267-L274 PolarHBondContact N-O 3.09Å; K267-L274 PolarHBondContact O-N 3.05Å; K267-L274 VanDerWaalsContact O-O 3.09Å; H269-L274 HydrophobicContact CB-CD1 4.48Å; K272-L274 HydrophobicContact CB-CD1 4.21Å; K272-L274 HydrophobicContact CB-CD2 4.33Å; K272-L274 HydrophobicContact CB-CG 4.01Å; L274-W289 HydrophobicContact CB-CB 4.01Å; L274-W289 HydrophobicContact CB-CE3 4.08Å; L274-W289 HydrophobicContact CD1-CB 4.24Å; L274-W289 HydrophobicContact CD1-CE3 4.09Å; L274-K290 CarbonylContact C-O 3.58Å; L274-K290 WeakPolarHBondContact CA-O 3.34Å; L274-N291 HydrophobicContact CD2-CB 3.93Å |
| 275 | Y | 98.2 | Very high | 95.5 | Very high | 1 Ų | 1 | 70.4 Ų | 70.4 | 0% | 0.004 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 119.5 | -178.5 | -65.3 | -85.5 | 0 | 0 | 0 | 109.7 | A262 F265 F266 W289 K290 M295 F315 E316 D319 | A262-Y275 HydrophobicContact CB-CD1 4.16Å; A262-Y275 HydrophobicContact CB-CE1 3.84Å; F265-Y275 AromaticContact CD2-CD1 3.9Å; F265-Y275 HydrophobicContact CD2-CD1 3.9Å; F265-Y275 HydrophobicContact CD2-CG 4.42Å; F265-Y275 AromaticContact CE2-CD1 3.73Å; F265-Y275 HydrophobicContact CE2-CD1 3.73Å; F265-Y275 HydrophobicContact CE2-CG 4.26Å; F265-Y275 WeakPolarHBondContact O-CA 3.38Å; F266-Y275 HydrophobicContact CB-CD1 4.3Å; F266-Y275 HydrophobicContact CB-CE1 4.19Å; F266-Y275 HydrophobicContact CD2-CD1 4.16Å; F266-Y275 AromaticContact CD2-CE1 3.69Å; F266-Y275 HydrophobicContact CD2-CE1 3.69Å; F266-Y275 HydrophobicContact CD2-CE2 4.3Å; F266-Y275 AromaticContact CD2-CZ 3.77Å; F266-Y275 HydrophobicContact CG-CE1 4.44Å; Y275-W289 WeakPolarHBondContact O-CA 3.32Å; Y275-K290 WeakPolarHBondContact CD2-O 3.49Å; Y275-K290 PolarHBondContact N-O 2.86Å; Y275-K290 PolarHBondContact O-N 2.62Å; Y275-M295 HydrophobicContact CD2-CG 3.49Å; Y275-M295 VanDerWaalsContact CD2-CG 3.49Å; Y275-M295 HydrophobicContact CE2-CG 4.2Å; Y275-M295 HydrophobicContact CG-CG 3.74Å; Y275-M295 HydrophobicContact CG-SD 4.3Å; Y275-F315 HydrophobicContact CE2-CD1 4.29Å; Y275-F315 WeakPolarHBondContact OH-CB 3.27Å; Y275-E316 HydrophobicContact CE1-CB 4.16Å; Y275-E316 PolarHBondContact OH-N 3.43Å; Y275-D319 PolarHBondContact OH-OD2 3.33Å |
| 276 | D | 97.4 | Very high | 95.4 | Very high | 3 Ų | 3 | 72.4 Ų | 72.4 | 2% | 0.016 | 38% | 0.376 | C | S | . | . | trans | -99.2 | 91.8 | -176.4 | -179.7 | 9.4 | 0 | 0 | 0 | 111.5 | F265 K267 D278 F279 S284 W289 | F265-D276 WeakPolarHBondContact CB-O 3.28Å; F265-D276 PolarHBondContact O-N 2.77Å; K267-D276 HydrophobicContact CD-CB 4.04Å; K267-D276 WeakPolarHBondContact CE-OD2 3.36Å; K267-D276 IonicContact NZ-OD2 3.55Å; K267-D276 PolarHBondContact NZ-OD2 3.45Å; D276-D278 PolarHBondContact O-N 2.8Å; D276-D278 VanDerWaalsContact OD1-C 3.32Å; D276-D278 WeakPolarHBondContact OD1-CA 3.41Å; D276-D278 PolarHBondContact OD1-N 3.42Å; D276-F279 HydrophobicContact CB-CB 4.23Å; D276-F279 WeakPolarHBondContact O-CB 3.25Å; D276-F279 PolarHBondContact O-N 2.89Å; D276-F279 PolarHBondContact OD1-N 2.98Å; D276-F279 VanDerWaalsContact OD2-CA 3.29Å; D276-F279 WeakPolarHBondContact OD2-CA 3.39Å; D276-S284 WeakPolarHBondContact OD2-CB 3.49Å; D276-S284 PolarHBondContact OD2-OG 3.2Å; D276-W289 HydrophobicContact CB-CD2 3.97Å; D276-W289 HydrophobicContact CB-CG 4.01Å; D276-W289 HydrophobicContact CB-CZ2 4.38Å; D276-W289 PolarHBondContact OD1-NE1 3.16Å; D276-W289 PolarHBondContact OD2-NE1 3.1Å | ||
| 277 | L | 96.5 | Very high | 95.3 | Very high | 40 Ų | 40 | 75.2 Ų | 75.2 | 21% | 0.209 | 40% | 0.4 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | 1.9 | 178.1 | -58.8 | -177 | 0 | 0 | 0 | 114.1 | A178 F265 K290 M295 L298 | A178-L277 HydrophobicContact CB-CB 4.26Å; A178-L277 HydrophobicContact CB-CD2 4.11Å; A178-L277 WeakPolarHBondContact CB-O 3.46Å; F265-L277 HydrophobicContact CD2-CD2 4.05Å; F265-L277 HydrophobicContact CE1-CD2 4.5Å; F265-L277 HydrophobicContact CE2-CD2 3.61Å; F265-L277 HydrophobicContact CZ-CD2 3.84Å; L277-K290 HydrophobicContact CD1-CD 3.88Å; L277-M295 HydrophobicContact CD1-SD 4.41Å; L277-M295 HydrophobicContact CD2-CE 4.09Å; L277-M295 HydrophobicContact CD2-SD 4.27Å; L277-M295 HydrophobicContact CG-SD 4.48Å; L277-L298 HydrophobicContact CD1-CD2 3.78Å |
| 278 | D | 95.5 | Very high | 95.2 | Very high | 56 Ų | 56 | 74.6 Ų | 74.6 | 30% | 0.299 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.4 | 28.2 | 170.9 | -165.6 | 32.6 | 0 | 0 | 0 | 111 | D276 K280 N281 | D276-D278 PolarHBondContact O-N 2.8Å; D276-D278 VanDerWaalsContact OD1-C 3.32Å; D276-D278 WeakPolarHBondContact OD1-CA 3.41Å; D276-D278 PolarHBondContact OD1-N 3.42Å; D278-K280 PolarHBondContact O-N 3.33Å; D278-N281 VanDerWaalsContact CG-CB 3.41Å; D278-N281 VanDerWaalsContact O-CB 3.26Å; D278-N281 WeakPolarHBondContact O-CB 3.31Å; D278-N281 PolarHBondContact O-N 3Å; D278-N281 WeakPolarHBondContact OD1-CB 3.31Å; D278-N281 WeakPolarHBondContact OD2-CB 3.41Å; D278-N281 PolarHBondContact OD2-ND2 3.45Å |
| 279 | F | 95.2 | Very high | 95.4 | Very high | 43 Ų | 43 | 69.2 Ų | 69.2 | 19% | 0.189 | 39% | 0.386 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -23.2 | -171.7 | 78.7 | -79.6 | 0 | 0 | 0 | 116 | A178 F265 D276 N281 | A178-F279 HydrophobicContact CB-CD1 4.22Å; A178-F279 HydrophobicContact CB-CE1 4.2Å; F265-F279 HydrophobicContact CB-CB 3.81Å; F265-F279 HydrophobicContact CB-CD1 3.53Å; F265-F279 HydrophobicContact CB-CE1 4.16Å; F265-F279 HydrophobicContact CB-CG 3.71Å; F265-F279 HydrophobicContact CD1-CD1 4.44Å; F265-F279 HydrophobicContact CD1-CE1 4.38Å; F265-F279 HydrophobicContact CG-CD1 4.4Å; D276-F279 HydrophobicContact CB-CB 4.23Å; D276-F279 WeakPolarHBondContact O-CB 3.25Å; D276-F279 PolarHBondContact O-N 2.89Å; D276-F279 PolarHBondContact OD1-N 2.98Å; D276-F279 VanDerWaalsContact OD2-CA 3.29Å; D276-F279 WeakPolarHBondContact OD2-CA 3.39Å; F279-N281 VanDerWaalsContact C-N 3.27Å |
| 280 | K | 93.7 | Very high | 95.6 | Very high | 67 Ų | 67 | 69 Ų | 69 | 29% | 0.291 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -14 | 176.3 | -65.2 | 175.3 | 178 | 172.1 | 0 | 112.9 | G170 A173 N175 L177 D278 P282 | G170-K280 WeakPolarHBondContact O-CE 3.46Å; G170-K280 PolarHBondContact O-NZ 2.8Å; A173-K280 PolarHBondContact O-NZ 3Å; N175-K280 WeakPolarHBondContact O-CD 3.22Å; N175-K280 WeakPolarHBondContact O-CE 3.23Å; N175-K280 PolarHBondContact O-NZ 3.44Å; L177-K280 PolarHBondContact O-NZ 2.88Å; L177-K280 VanDerWaalsContact O-NZ 3.16Å; D278-K280 PolarHBondContact O-N 3.33Å; K280-P282 WeakPolarHBondContact O-CD 3.3Å |
| 281 | N | 94.4 | Very high | 95.8 | Very high | 55 Ų | 55 | 65.5 Ų | 65.5 | 29% | 0.294 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -86.9 | 114.7 | 171.8 | 178.2 | 9.1 | 0 | 0 | 0 | 109.4 | D278 F279 K283 S284 | D278-N281 VanDerWaalsContact CG-CB 3.41Å; D278-N281 VanDerWaalsContact O-CB 3.26Å; D278-N281 WeakPolarHBondContact O-CB 3.31Å; D278-N281 PolarHBondContact O-N 3Å; D278-N281 WeakPolarHBondContact OD1-CB 3.31Å; D278-N281 WeakPolarHBondContact OD2-CB 3.41Å; D278-N281 PolarHBondContact OD2-ND2 3.45Å; F279-N281 VanDerWaalsContact C-N 3.27Å; N281-K283 PolarHBondContact O-N 3.24Å; N281-K283 WeakPolarHBondContact OD1-CB 3.31Å; N281-K283 PolarHBondContact OD1-N 2.94Å; N281-S284 WeakPolarHBondContact O-CB 3.41Å; N281-S284 PolarHBondContact O-N 3.1Å; N281-S284 PolarHBondContact O-OG 3.04Å |
| 282 | P | 92.6 | Very high | 96 | Very high | 131 Ų | 131 | 62.7 Ų | 62.7 | 85% | 0.851 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -12.5 | 176.4 | -22.6 | 34.5 | 0 | 0 | 0 | 114.1 | K280 | K280-P282 WeakPolarHBondContact O-CD 3.3Š|
| 283 | K | 95.1 | Very high | 96.2 | Very high | 183 Ų | 183 | 60.1 Ų | 60.1 | 80% | 0.796 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110 | 21.7 | 176.9 | -56.2 | -178.5 | -180 | -179.9 | 0 | 112.6 | N281 D285 | N281-K283 PolarHBondContact O-N 3.24Å; N281-K283 WeakPolarHBondContact OD1-CB 3.31Å; N281-K283 PolarHBondContact OD1-N 2.94Å; K283-D285 PolarHBondContact O-N 2.9Å |
| 284 | S | 95.5 | Very high | 96.3 | Very high | 16 Ų | 16 | 59 Ų | 59 | 11% | 0.112 | 33% | 0.326 | C | S | . | . | trans | -49.2 | 127.6 | 173.8 | 59.3 | 0 | 0 | 0 | 0 | 110.4 | D276 N281 P286 | D276-S284 WeakPolarHBondContact OD2-CB 3.49Å; D276-S284 PolarHBondContact OD2-OG 3.2Å; N281-S284 WeakPolarHBondContact O-CB 3.41Å; N281-S284 PolarHBondContact O-N 3.1Å; N281-S284 PolarHBondContact O-OG 3.04Å; S284-P286 WeakPolarHBondContact O-CD 3.42Å | ||
| 285 | D | 95.4 | Very high | 96.3 | Very high | 99 Ų | 99 | 58 Ų | 58 | 53% | 0.529 | 32% | 0.32 | S | S | . | . | trans | -82.8 | 117.8 | -179.4 | 179.8 | 2.1 | 0 | 0 | 0 | 110.9 | K283 S287 G288 W289 | K283-D285 PolarHBondContact O-N 2.9Å; D285-S287 PolarHBondContact O-N 3.21Å; D285-S287 VanDerWaalsContact O-N 3.08Å; D285-S287 WeakPolarHBondContact OD1-CB 3.48Å; D285-S287 PolarHBondContact OD1-N 3.12Å; D285-S287 PolarHBondContact OD1-OG 3.44Å; D285-S287 PolarHBondContact OD2-OG 2.87Å; D285-G288 PolarHBondContact O-N 3.47Å; D285-W289 VanDerWaalsContact O-CD1 3.26Å; D285-W289 PolarHBondContact O-NE1 3.45Å | ||
| 286 | P | 95.4 | Very high | 96.3 | Very high | 43 Ų | 43 | 58.5 Ų | 58.5 | 28% | 0.279 | 32% | 0.323 | S | S | . | . | G | 310 helix | trans | -56.9 | -23.1 | 177.2 | -23.5 | 34.2 | 0 | 0 | 0 | 114.9 | H269 S284 G288 W289 | H269-P286 WeakPolarHBondContact NE2-CB 3.05Å; S284-P286 WeakPolarHBondContact O-CD 3.42Å; P286-G288 PolarHBondContact O-N 3.08Å; P286-W289 HydrophobicContact CB-CD2 4.1Å; P286-W289 HydrophobicContact CB-CE3 4.18Å; P286-W289 HydrophobicContact CB-CH2 4.33Å; P286-W289 HydrophobicContact CB-CZ2 4.26Å; P286-W289 HydrophobicContact CB-CZ3 4.33Å; P286-W289 HydrophobicContact CG-CH2 4.08Å; P286-W289 HydrophobicContact CG-CZ2 3.93Å; P286-W289 PolarHBondContact O-N 3Å |
| 287 | S | 95.2 | Very high | 96.4 | Very high | 101 Ų | 101 | 63 Ų | 63 | 71% | 0.706 | 35% | 0.347 | S | S | * | . | G | 310 helix | trans | -65.2 | -24.1 | 176.3 | 85.4 | 0 | 0 | 0 | 0 | 113.3 | D285 | D285-S287 PolarHBondContact O-N 3.21Å; D285-S287 VanDerWaalsContact O-N 3.08Å; D285-S287 WeakPolarHBondContact OD1-CB 3.48Å; D285-S287 PolarHBondContact OD1-N 3.12Å; D285-S287 PolarHBondContact OD1-OG 3.44Å; D285-S287 PolarHBondContact OD2-OG 2.87Å |
| 288 | G | 95 | Very high | 96.4 | Very high | 53 Ų | 53 | 62.6 Ų | 62.6 | 55% | 0.546 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -91.2 | -8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | D285 P286 | D285-G288 PolarHBondContact O-N 3.47Å; P286-G288 PolarHBondContact O-N 3.08Å |
| 289 | W | 97.8 | Very high | 96.6 | Very high | 29 Ų | 29 | 60 Ų | 60 | 11% | 0.11 | 33% | 0.331 | C | S | . | . | trans | -70.4 | 147.9 | -178.8 | -59.8 | -4.4 | 0 | 0 | 0 | 111.1 | K267 H269 L274 Y275 D276 D285 P286 | K267-W289 HydrophobicContact CB-CE3 4.23Å; K267-W289 HydrophobicContact CB-CH2 4.25Å; K267-W289 HydrophobicContact CB-CZ3 3.7Å; K267-W289 HydrophobicContact CD-CE3 4.42Å; K267-W289 HydrophobicContact CD-CH2 3.38Å; K267-W289 HydrophobicContact CD-CZ2 3.76Å; K267-W289 HydrophobicContact CD-CZ3 3.72Å; K267-W289 HydrophobicContact CG-CH2 4.44Å; K267-W289 HydrophobicContact CG-CZ3 4.34Å; H269-W289 HydrophobicContact CB-CE3 4.16Å; H269-W289 HydrophobicContact CB-CH2 4.49Å; H269-W289 HydrophobicContact CB-CZ3 3.56Å; H269-W289 AromaticContact CG-CZ3 3.94Å; L274-W289 HydrophobicContact CB-CB 4.01Å; L274-W289 HydrophobicContact CB-CE3 4.08Å; L274-W289 HydrophobicContact CD1-CB 4.24Å; L274-W289 HydrophobicContact CD1-CE3 4.09Å; Y275-W289 WeakPolarHBondContact O-CA 3.32Å; D276-W289 HydrophobicContact CB-CD2 3.97Å; D276-W289 HydrophobicContact CB-CG 4.01Å; D276-W289 HydrophobicContact CB-CZ2 4.38Å; D276-W289 PolarHBondContact OD1-NE1 3.16Å; D276-W289 PolarHBondContact OD2-NE1 3.1Å; D285-W289 VanDerWaalsContact O-CD1 3.26Å; D285-W289 PolarHBondContact O-NE1 3.45Å; P286-W289 HydrophobicContact CB-CD2 4.1Å; P286-W289 HydrophobicContact CB-CE3 4.18Å; P286-W289 HydrophobicContact CB-CH2 4.33Å; P286-W289 HydrophobicContact CB-CZ2 4.26Å; P286-W289 HydrophobicContact CB-CZ3 4.33Å; P286-W289 HydrophobicContact CG-CH2 4.08Å; P286-W289 HydrophobicContact CG-CZ2 3.93Å; P286-W289 PolarHBondContact O-N 3Å | ||
| 290 | K | 98.2 | Very high | 96.7 | Very high | 61 Ų | 61 | 62.2 Ų | 62.2 | 27% | 0.265 | 34% | 0.341 | S | S | . | . | B | Isolated β-bridge | trans | -103.5 | 137.2 | -173.1 | -64.9 | -176.8 | -173.4 | -58.6 | 0 | 110.7 | L274 Y275 L277 Q294 M295 L298 | L274-K290 CarbonylContact C-O 3.58Å; L274-K290 WeakPolarHBondContact CA-O 3.34Å; Y275-K290 WeakPolarHBondContact CD2-O 3.49Å; Y275-K290 PolarHBondContact N-O 2.86Å; Y275-K290 PolarHBondContact O-N 2.62Å; L277-K290 HydrophobicContact CD1-CD 3.88Å; K290-Q294 HydrophobicContact CB-CB 3.9Å; K290-Q294 HydrophobicContact CG-CB 4.24Å; K290-M295 HydrophobicContact CB-CG 3.94Å; K290-M295 HydrophobicContact CB-SD 3.7Å; K290-M295 HydrophobicContact CD-SD 3.7Å; K290-M295 HydrophobicContact CG-SD 4.28Å; K290-L298 HydrophobicContact CD-CD2 4.34Å |
| 291 | N | 98 | Very high | 96.9 | Very high | 62 Ų | 62 | 63.5 Ų | 63.5 | 33% | 0.332 | 35% | 0.347 | S | S | . | . | trans | -78.8 | 174.8 | 164.4 | 69 | 30.7 | 0 | 0 | 0 | 110.8 | L274 D293 Q294 M295 | L274-N291 HydrophobicContact CD2-CB 3.93Å; N291-D293 VanDerWaalsContact C-N 3.33Å; N291-D293 PolarHBondContact O-N 2.72Å; N291-D293 PolarHBondContact OD1-N 3.32Å; N291-D293 VanDerWaalsContact OD1-N 3.1Å; N291-Q294 PolarHBondContact O-N 2.9Å; N291-Q294 WeakPolarHBondContact OD1-CG 3.48Å; N291-Q294 PolarHBondContact OD1-N 2.93Å; N291-M295 WeakPolarHBondContact O-CG 3.31Å; N291-M295 PolarHBondContact O-N 3.46Å | ||
| 292 | G | 98 | Very high | 97.1 | Very high | 5 Ų | 5 | 61.1 Ų | 61.1 | 5% | 0.052 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -59.2 | -37.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | M295 L296 | G292-M295 PolarHBondContact O-N 3.21Å; G292-L296 WeakPolarHBondContact O-CB 3.42Å; G292-L296 PolarHBondContact O-N 3.15Å |
| 293 | D | 98.2 | Very high | 97.4 | Very high | 80 Ų | 80 | 56.7 Ų | 56.7 | 43% | 0.428 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -68 | -39.2 | 177.5 | -65.9 | -34.7 | 0 | 0 | 0 | 111 | N291 L296 D297 K325 | N291-D293 VanDerWaalsContact C-N 3.33Å; N291-D293 PolarHBondContact O-N 2.72Å; N291-D293 PolarHBondContact OD1-N 3.32Å; N291-D293 VanDerWaalsContact OD1-N 3.1Å; D293-L296 WeakPolarHBondContact O-CB 3.49Å; D293-L296 PolarHBondContact O-N 2.74Å; D293-D297 PolarHBondContact O-N 2.97Å; D293-K325 IonicContact OD1-NZ 2.9Å; D293-K325 PolarHBondContact OD1-NZ 3.07Å; D293-K325 IonicContact OD2-NZ 2.89Å |
| 294 | Q | 98.4 | Very high | 97.5 | Very high | 90 Ų | 90 | 52.6 Ų | 52.6 | 42% | 0.421 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -67.2 | -34.7 | 174.6 | -70.1 | 172.3 | -51.5 | 0 | 0 | 112.7 | K290 N291 L298 | K290-Q294 HydrophobicContact CB-CB 3.9Å; K290-Q294 HydrophobicContact CG-CB 4.24Å; N291-Q294 PolarHBondContact O-N 2.9Å; N291-Q294 WeakPolarHBondContact OD1-CG 3.48Å; N291-Q294 PolarHBondContact OD1-N 2.93Å; Q294-L298 WeakPolarHBondContact O-CB 3.41Å; Q294-L298 PolarHBondContact O-N 3.22Å; Q294-L298 VanDerWaalsContact O-N 3.1Å |
| 295 | M | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -66.9 | -43.6 | 172.2 | -71.9 | -56.9 | -62.2 | 0 | 0 | 111.2 | F265 Y275 L277 K290 N291 G292 D297 L298 Y299 F315 | F265-M295 HydrophobicContact CE2-CE 4.04Å; F265-M295 HydrophobicContact CZ-CE 4.33Å; Y275-M295 HydrophobicContact CD2-CG 3.49Å; Y275-M295 VanDerWaalsContact CD2-CG 3.49Å; Y275-M295 HydrophobicContact CE2-CG 4.2Å; Y275-M295 HydrophobicContact CG-CG 3.74Å; Y275-M295 HydrophobicContact CG-SD 4.3Å; L277-M295 HydrophobicContact CD1-SD 4.41Å; L277-M295 HydrophobicContact CD2-CE 4.09Å; L277-M295 HydrophobicContact CD2-SD 4.27Å; L277-M295 HydrophobicContact CG-SD 4.48Å; K290-M295 HydrophobicContact CB-CG 3.94Å; K290-M295 HydrophobicContact CB-SD 3.7Å; K290-M295 HydrophobicContact CD-SD 3.7Å; K290-M295 HydrophobicContact CG-SD 4.28Å; N291-M295 WeakPolarHBondContact O-CG 3.31Å; N291-M295 PolarHBondContact O-N 3.46Å; G292-M295 PolarHBondContact O-N 3.21Å; M295-D297 VanDerWaalsContact C-N 3.35Å; M295-D297 PolarHBondContact O-N 2.96Å; M295-L298 WeakPolarHBondContact O-CB 3.49Å; M295-L298 PolarHBondContact O-N 2.89Å; M295-L298 VanDerWaalsContact O-N 3.15Å; M295-Y299 HydrophobicContact CB-CE2 4.14Å; M295-Y299 HydrophobicContact CE-CE1 4.22Å; M295-Y299 HydrophobicContact CE-CE2 4.28Å; M295-Y299 WeakPolarHBondContact CE-OH 3.08Å; M295-Y299 WeakPolarHBondContact O-CD2 3.44Å; M295-Y299 PolarHBondContact O-N 3.27Å; M295-F315 HydrophobicContact CB-CD1 4.49Å; M295-F315 HydrophobicContact CB-CE1 3.85Å |
| 296 | L | 98.5 | Very high | 97.7 | Very high | 12 Ų | 12 | 49.6 Ų | 49.6 | 6% | 0.063 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58.6 | -45.2 | 175.5 | -176.9 | 154.9 | 0 | 0 | 0 | 111.8 | G292 D293 L298 Y299 K300 F315 K325 F326 | G292-L296 WeakPolarHBondContact O-CB 3.42Å; G292-L296 PolarHBondContact O-N 3.15Å; D293-L296 WeakPolarHBondContact O-CB 3.49Å; D293-L296 PolarHBondContact O-N 2.74Å; L296-L298 VanDerWaalsContact C-N 3.3Å; L296-L298 PolarHBondContact O-N 2.9Å; L296-Y299 PolarHBondContact O-N 2.95Å; L296-K300 HydrophobicContact CD2-CD 3.76Å; L296-K300 HydrophobicContact CD2-CG 4.28Å; L296-K300 VanDerWaalsContact CD2-NZ 3.32Å; L296-K300 PolarHBondContact O-N 3.25Å; L296-F315 HydrophobicContact CB-CZ 4.16Å; L296-K325 HydrophobicContact CD1-CB 3.82Å; L296-F326 HydrophobicContact CD1-CB 4.17Å; L296-F326 HydrophobicContact CG-CD2 4.18Å |
| 297 | D | 98.3 | Very high | 97.8 | Very high | 96 Ų | 96 | 50.2 Ų | 50.2 | 51% | 0.513 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64.2 | -35.9 | 176.4 | -74.7 | -19.8 | 0 | 0 | 0 | 112.2 | D293 M295 K300 H301 | D293-D297 PolarHBondContact O-N 2.97Å; M295-D297 VanDerWaalsContact C-N 3.35Å; M295-D297 PolarHBondContact O-N 2.96Å; D297-K300 PolarHBondContact O-N 2.94Å; D297-H301 PolarHBondContact O-N 2.57Å |
| 298 | L | 97.9 | Very high | 98 | Very high | 33 Ų | 33 | 45.9 Ų | 45.9 | 17% | 0.173 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.5 | -45.4 | 173.8 | -173.3 | 66.7 | 0 | 0 | 0 | 111.4 | M179 L277 K290 Q294 M295 L296 H301 Y302 | M179-L298 HydrophobicContact CE-CD2 4.09Å; L277-L298 HydrophobicContact CD1-CD2 3.78Å; K290-L298 HydrophobicContact CD-CD2 4.34Å; Q294-L298 WeakPolarHBondContact O-CB 3.41Å; Q294-L298 PolarHBondContact O-N 3.22Å; Q294-L298 VanDerWaalsContact O-N 3.1Å; M295-L298 WeakPolarHBondContact O-CB 3.49Å; M295-L298 PolarHBondContact O-N 2.89Å; M295-L298 VanDerWaalsContact O-N 3.15Å; L296-L298 VanDerWaalsContact C-N 3.3Å; L296-L298 PolarHBondContact O-N 2.9Å; L298-H301 WeakPolarHBondContact O-CB 3.4Å; L298-H301 PolarHBondContact O-N 2.92Å; L298-Y302 HydrophobicContact CD1-CE1 4.1Å; L298-Y302 HydrophobicContact CD1-CE2 4.22Å; L298-Y302 WeakPolarHBondContact CD1-OH 3.44Å; L298-Y302 HydrophobicContact CD2-CE2 4.13Å; L298-Y302 HydrophobicContact CG-CD2 4.49Å; L298-Y302 HydrophobicContact CG-CE1 4.45Å; L298-Y302 HydrophobicContact CG-CE2 3.69Å; L298-Y302 WeakPolarHBondContact O-CD2 3.38Å; L298-Y302 PolarHBondContact O-N 3.4Å; L298-Y302 VanDerWaalsContact O-N 3.13Å |
| 299 | Y | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.9 | -45 | 175.9 | -59 | -43.6 | 0 | 0 | 0 | 111.7 | M179 V260 M295 L296 H301 Y302 L303 I311 A314 F315 F326 | M179-Y299 HydrophobicContact CE-CE1 3.84Å; V260-Y299 HydrophobicContact CG1-CE1 4.45Å; V260-Y299 VanDerWaalsContact CG1-OH 3.24Å; V260-Y299 WeakPolarHBondContact CG1-OH 3.47Å; V260-Y299 HydrophobicContact CG2-CE1 3.82Å; M295-Y299 HydrophobicContact CB-CE2 4.14Å; M295-Y299 HydrophobicContact CE-CE1 4.22Å; M295-Y299 HydrophobicContact CE-CE2 4.28Å; M295-Y299 WeakPolarHBondContact CE-OH 3.08Å; M295-Y299 WeakPolarHBondContact O-CD2 3.44Å; M295-Y299 PolarHBondContact O-N 3.27Å; L296-Y299 PolarHBondContact O-N 2.95Å; Y299-H301 PolarHBondContact O-N 2.85Å; Y299-Y302 HydrophobicContact CD1-CD2 4.34Å; Y299-Y302 PolarHBondContact O-N 3.39Å; Y299-L303 VanDerWaalsContact O-CG 3.31Å; Y299-L303 WeakPolarHBondContact O-CG 3.41Å; Y299-L303 PolarHBondContact O-N 2.99Å; Y299-I311 HydrophobicContact CD1-CD1 4.39Å; Y299-A314 HydrophobicContact CD2-CB 4.35Å; Y299-A314 HydrophobicContact CE2-CB 3.84Å; Y299-A314 VanDerWaalsContact CE2-O 3.31Å; Y299-A314 WeakPolarHBondContact CE2-O 3.17Å; Y299-A314 PolarHBondContact OH-O 3.44Å; Y299-F315 HydrophobicContact CD2-CE2 4.49Å; Y299-F315 HydrophobicContact CD2-CZ 4.08Å; Y299-F315 HydrophobicContact CE2-CE1 4.17Å; Y299-F315 HydrophobicContact CE2-CE2 4.24Å; Y299-F315 AromaticContact CE2-CZ 3.86Å; Y299-F315 HydrophobicContact CE2-CZ 3.86Å; Y299-F326 HydrophobicContact CD2-CD2 4.48Å; Y299-F326 HydrophobicContact CD2-CE2 4.24Å; Y299-F326 HydrophobicContact CD2-CZ 4.35Å; Y299-F326 HydrophobicContact CG-CE2 4.35Å; Y299-F326 HydrophobicContact CG-CZ 4.37Å |
| 300 | K | 98.2 | Very high | 98.2 | Very high | 90 Ų | 90 | 43.4 Ų | 43.4 | 39% | 0.391 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -56.4 | -40.6 | 175.3 | -77.5 | 179.8 | 175.8 | 165.7 | 0 | 112.4 | L296 D297 L303 S304 | L296-K300 HydrophobicContact CD2-CD 3.76Å; L296-K300 HydrophobicContact CD2-CG 4.28Å; L296-K300 VanDerWaalsContact CD2-NZ 3.32Å; L296-K300 PolarHBondContact O-N 3.25Å; D297-K300 PolarHBondContact O-N 2.94Å; K300-L303 PolarHBondContact O-N 3.18Å; K300-S304 WeakPolarHBondContact O-CB 3.38Å; K300-S304 PolarHBondContact O-N 3.16Å |
| 301 | H | 97.9 | Very high | 98.2 | Very high | 94 Ų | 94 | 40.5 Ų | 40.5 | 44% | 0.435 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -58.7 | -48.1 | 174.7 | -178.9 | 65.7 | 0 | 0 | 0 | 111.1 | D297 L298 Y299 S304 A305 | D297-H301 PolarHBondContact O-N 2.57Å; L298-H301 WeakPolarHBondContact O-CB 3.4Å; L298-H301 PolarHBondContact O-N 2.92Å; Y299-H301 PolarHBondContact O-N 2.85Å; H301-S304 PolarHBondContact O-N 3.16Å; H301-S304 PolarHBondContact O-OG 3.4Å; H301-A305 WeakPolarHBondContact O-CB 3.26Å; H301-A305 PolarHBondContact O-N 3.07Å; H301-A305 VanDerWaalsContact O-N 3.17Å |
| 302 | Y | 98.3 | Very high | 98.3 | Very high | 5 Ų | 5 | 37.6 Ų | 37.6 | 2% | 0.02 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.3 | -44.8 | 176.9 | -57.8 | -32.1 | 0 | 0 | 0 | 112.8 | M179 P234 K235 L238 M258 L298 Y299 S304 A305 Y306 | M179-Y302 HydrophobicContact CE-CE2 3.81Å; M179-Y302 HydrophobicContact SD-CE2 4.18Å; P234-Y302 HydrophobicContact CB-CE2 4.28Å; P234-Y302 WeakPolarHBondContact CB-OH 3.46Å; K235-Y302 HydrophobicContact CB-CE1 4.34Å; L238-Y302 HydrophobicContact CD1-CD1 3.81Å; L238-Y302 HydrophobicContact CD1-CD2 4.31Å; L238-Y302 HydrophobicContact CD1-CE1 4.34Å; L238-Y302 HydrophobicContact CD1-CG 3.81Å; M258-Y302 HydrophobicContact CE-CD2 4.26Å; M258-Y302 HydrophobicContact CE-CE2 4.47Å; L298-Y302 HydrophobicContact CD1-CE1 4.1Å; L298-Y302 HydrophobicContact CD1-CE2 4.22Å; L298-Y302 WeakPolarHBondContact CD1-OH 3.44Å; L298-Y302 HydrophobicContact CD2-CE2 4.13Å; L298-Y302 HydrophobicContact CG-CD2 4.49Å; L298-Y302 HydrophobicContact CG-CE1 4.45Å; L298-Y302 HydrophobicContact CG-CE2 3.69Å; L298-Y302 WeakPolarHBondContact O-CD2 3.38Å; L298-Y302 PolarHBondContact O-N 3.4Å; L298-Y302 VanDerWaalsContact O-N 3.13Å; Y299-Y302 HydrophobicContact CD1-CD2 4.34Å; Y299-Y302 PolarHBondContact O-N 3.39Å; Y302-S304 PolarHBondContact O-N 3.08Å; Y302-A305 PolarHBondContact O-N 2.7Å; Y302-A305 VanDerWaalsContact O-N 3.08Å; Y302-Y306 HydrophobicContact CD1-CE2 4.49Å; Y302-Y306 WeakPolarHBondContact O-CD2 3.45Å; Y302-Y306 PolarHBondContact O-N 3.38Å |
| 303 | L | 98.3 | Very high | 98.3 | Very high | 38 Ų | 38 | 37.4 Ų | 37.4 | 20% | 0.199 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.2 | -31.8 | 177.9 | -63.1 | -174.5 | 0 | 0 | 0 | 112.6 | Y299 K300 I308 I311 F326 T330 I332 | Y299-L303 VanDerWaalsContact O-CG 3.31Å; Y299-L303 WeakPolarHBondContact O-CG 3.41Å; Y299-L303 PolarHBondContact O-N 2.99Å; K300-L303 PolarHBondContact O-N 3.18Å; L303-I308 HydrophobicContact CD2-CB 3.72Å; L303-I308 HydrophobicContact CD2-CD1 4.45Å; L303-I308 HydrophobicContact CD2-CG2 3.61Å; L303-I311 HydrophobicContact CD2-CD1 3.87Å; L303-I311 HydrophobicContact CG-CD1 4.48Å; L303-F326 HydrophobicContact CD1-CE2 4.36Å; L303-F326 HydrophobicContact CD1-CZ 4.38Å; L303-T330 VanDerWaalsContact CD1-OG1 3.24Å; L303-T330 WeakPolarHBondContact CD1-OG1 3.44Å; L303-I332 HydrophobicContact CD1-CD1 4.26Å; L303-I332 HydrophobicContact CD1-CG1 4.32Å; L303-I332 HydrophobicContact CD1-CG2 4.49Å; L303-I332 HydrophobicContact CD2-CD1 3.67Å; L303-I332 HydrophobicContact CD2-CG1 4.41Å; L303-I332 HydrophobicContact CD2-CG2 4.24Å |
| 304 | S | 97.7 | Very high | 98.3 | Very high | 97 Ų | 97 | 33.6 Ų | 33.6 | 68% | 0.678 | 19% | 0.185 | S | C | * | . | H | α-helix | trans | -76.7 | -27.3 | 176.5 | 76.7 | 0 | 0 | 0 | 0 | 113.8 | K300 H301 Y302 | K300-S304 WeakPolarHBondContact O-CB 3.38Å; K300-S304 PolarHBondContact O-N 3.16Å; H301-S304 PolarHBondContact O-N 3.16Å; H301-S304 PolarHBondContact O-OG 3.4Å; Y302-S304 PolarHBondContact O-N 3.08Å |
| 305 | A | 97.6 | Very high | 98.3 | Very high | 40 Ų | 40 | 29.3 Ų | 29.3 | 33% | 0.331 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -100.3 | -22.9 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | H301 Y302 | H301-A305 WeakPolarHBondContact O-CB 3.26Å; H301-A305 PolarHBondContact O-N 3.07Å; H301-A305 VanDerWaalsContact O-N 3.17Å; Y302-A305 PolarHBondContact O-N 2.7Å; Y302-A305 VanDerWaalsContact O-N 3.08Å |
| 306 | Y | 98.3 | Very high | 98.3 | Very high | 12 Ų | 12 | 30.4 Ų | 30.4 | 5% | 0.047 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -133.7 | 151.7 | -172.2 | -56.9 | -80.4 | 0 | 0 | 0 | 111.6 | K235 L238 D239 K242 Y302 I308 | K235-Y306 HydrophobicContact CG-CE2 4.29Å; K235-Y306 WeakPolarHBondContact CG-OH 3.33Å; K235-Y306 PolarHBondContact NZ-OH 2.94Å; L238-Y306 HydrophobicContact CB-CD1 3.69Å; L238-Y306 HydrophobicContact CB-CD2 3.9Å; L238-Y306 HydrophobicContact CB-CE1 3.56Å; L238-Y306 HydrophobicContact CB-CE2 3.78Å; L238-Y306 HydrophobicContact CB-CG 3.87Å; L238-Y306 HydrophobicContact CD1-CD2 3.6Å; L238-Y306 HydrophobicContact CD1-CE2 3.76Å; L238-Y306 HydrophobicContact CD1-CG 4.18Å; L238-Y306 HydrophobicContact CG-CD2 4.26Å; L238-Y306 HydrophobicContact CG-CE2 4.4Å; L238-Y306 HydrophobicContact CG-CG 4.42Å; D239-Y306 VanDerWaalsContact CG-OH 3.24Å; D239-Y306 VanDerWaalsContact OD1-CE1 3.29Å; D239-Y306 WeakPolarHBondContact OD1-CE1 3.47Å; D239-Y306 PolarHBondContact OD1-OH 3.49Å; K242-Y306 HydrophobicContact CD-CD1 4.42Å; K242-Y306 HydrophobicContact CD-CE1 4.43Å; Y302-Y306 HydrophobicContact CD1-CE2 4.49Å; Y302-Y306 WeakPolarHBondContact O-CD2 3.45Å; Y302-Y306 PolarHBondContact O-N 3.38Å; Y306-I308 PolarHBondContact O-N 3.42Å |
| 307 | P | 97.2 | Very high | 98.2 | Very high | 57 Ų | 57 | 30.5 Ų | 30.5 | 37% | 0.37 | 17% | 0.17 | S | C | . | . | trans | -77.1 | 56 | 179.3 | 35 | -37.8 | 0 | 0 | 0 | 111.5 | K255 I256 | K255-P307 WeakPolarHBondContact CB-O 3.4Å; K255-P307 HydrophobicContact CD-CB 4.19Å; I256-P307 HydrophobicContact CD1-CG 4.43Å; I256-P307 PolarHBondContact N-O 3.11Å | ||
| 308 | I | 98.6 | Very high | 98.1 | Very high | 9 Ų | 9 | 28.6 Ų | 28.6 | 5% | 0.046 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 127.8 | 178.5 | -63.8 | 161.3 | 0 | 0 | 0 | 108.9 | L238 I256 M258 L303 Y306 I311 I332 | L238-I308 HydrophobicContact CD1-CD1 4.18Å; L238-I308 HydrophobicContact CD2-CD1 4.05Å; L238-I308 HydrophobicContact CD2-CG1 4.35Å; I256-I308 HydrophobicContact CB-CG1 4.07Å; I256-I308 HydrophobicContact CG2-CG1 3.98Å; I256-I308 CarbonylContact O-C 3.54Å; I256-I308 VanDerWaalsContact O-CA 3.26Å; I256-I308 WeakPolarHBondContact O-CA 3.25Å; M258-I308 HydrophobicContact SD-CD1 3.63Å; M258-I308 HydrophobicContact SD-CG1 4.34Å; L303-I308 HydrophobicContact CD2-CB 3.72Å; L303-I308 HydrophobicContact CD2-CD1 4.45Å; L303-I308 HydrophobicContact CD2-CG2 3.61Å; Y306-I308 PolarHBondContact O-N 3.42Å; I308-I311 HydrophobicContact CG2-CD1 4.16Å; I308-I311 HydrophobicContact CG2-CG1 3.81Å; I308-I332 HydrophobicContact CG2-CD1 4.35Å |
| 309 | V | 98.6 | Very high | 98.1 | Very high | 29 Ų | 29 | 27.6 Ų | 27.6 | 18% | 0.176 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | -8.5 | -179 | -63.5 | 0 | 0 | 0 | 0 | 113.6 | M185 K255 I256 Q333 F449 | M185-V309 HydrophobicContact SD-CG2 3.97Å; K255-V309 HydrophobicContact CB-CB 4.32Å; K255-V309 HydrophobicContact CB-CG1 3.79Å; K255-V309 HydrophobicContact CB-CG2 3.57Å; K255-V309 HydrophobicContact CD-CG1 4.15Å; K255-V309 HydrophobicContact CG-CG1 3.77Å; K255-V309 HydrophobicContact CG-CG2 4.19Å; I256-V309 PolarHBondContact O-N 2.78Å; V309-Q333 WeakPolarHBondContact O-CB 3.29Å; V309-Q333 PolarHBondContact O-N 3Å; V309-F449 HydrophobicContact CB-CZ 4.16Å; V309-F449 HydrophobicContact CG2-CZ 4Å |
| 310 | S | 98.8 | Very high | 98.1 | Very high | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.007 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 133.4 | 178.7 | -172 | 0 | 0 | 0 | 0 | 111.5 | A257 M258 Q333 V335 | A257-S310 CarbonylContact C-O 3.13Å; A257-S310 VanDerWaalsContact CA-O 3.23Å; A257-S310 WeakPolarHBondContact CA-O 3.25Å; M258-S310 PolarHBondContact N-O 2.48Å; S310-Q333 CarbonylContact C-O 3.44Å; S310-Q333 VanDerWaalsContact CA-O 3.28Å; S310-Q333 WeakPolarHBondContact CA-O 3.15Å; S310-Q333 PolarHBondContact OG-NE2 3.03Å; S310-V335 VanDerWaalsContact OG-CG2 3.27Å; S310-V335 WeakPolarHBondContact OG-CG2 3.34Å |
| 311 | I | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 126 | 170.4 | -65.8 | -179.4 | 0 | 0 | 0 | 108.5 | M258 V260 Y299 L303 I308 A314 F326 I332 Q333 V334 V335 | M258-I311 HydrophobicContact CB-CG1 4.43Å; M258-I311 CarbonylContact O-C 3.56Å; M258-I311 WeakPolarHBondContact O-CA 3.48Å; V260-I311 HydrophobicContact CG2-CG2 3.92Å; Y299-I311 HydrophobicContact CD1-CD1 4.39Å; L303-I311 HydrophobicContact CD2-CD1 3.87Å; L303-I311 HydrophobicContact CG-CD1 4.48Å; I308-I311 HydrophobicContact CG2-CD1 4.16Å; I308-I311 HydrophobicContact CG2-CG1 3.81Å; I311-A314 HydrophobicContact CG2-CB 3.87Å; I311-F326 HydrophobicContact CB-CE1 4.45Å; I311-F326 HydrophobicContact CD1-CZ 4.06Å; I311-F326 HydrophobicContact CG2-CE1 4.46Å; I311-I332 HydrophobicContact CB-CD1 4.01Å; I311-I332 HydrophobicContact CD1-CD1 3.96Å; I311-I332 HydrophobicContact CG1-CD1 3.66Å; I311-Q333 PolarHBondContact N-O 3.29Å; I311-V334 CarbonylContact O-C 3.59Å; I311-V334 WeakPolarHBondContact O-CA 3.44Å; I311-V335 PolarHBondContact O-N 2.79Å |
| 312 | E | 98.8 | Very high | 98.1 | Very high | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 140.6 | 177.4 | 176.4 | -176.2 | 158.6 | 0 | 0 | 110.1 | M258 D259 V260 A314 V335 D337 L360 K413 | M258-E312 PolarHBondContact O-N 3.29Å; D259-E312 HydrophobicContact CB-CB 4.12Å; D259-E312 HydrophobicContact CB-CG 4.23Å; V260-E312 PolarHBondContact N-O 2.9Å; E312-A314 VanDerWaalsContact C-N 3.32Å; E312-A314 PolarHBondContact O-N 3.26Å; E312-V335 HydrophobicContact CB-CB 3.84Å; E312-V335 HydrophobicContact CB-CG1 4.43Å; E312-V335 HydrophobicContact CB-CG2 4.36Å; E312-V335 HydrophobicContact CG-CB 4.15Å; E312-V335 HydrophobicContact CG-CG1 4.24Å; E312-D337 HydrophobicContact CG-CB 4.2Å; E312-L360 WeakPolarHBondContact OE1-CD2 3.11Å; E312-K413 IonicContact OE1-NZ 3.52Å; E312-K413 PolarHBondContact OE1-NZ 3.04Å; E312-K413 IonicContact OE2-NZ 3.59Å; E312-K413 PolarHBondContact OE2-NZ 3.29Å |
| 313 | D | 98.4 | Very high | 98.1 | Very high | 2 Ų | 2 | 26.6 Ų | 26.6 | 1% | 0.011 | 16% | 0.155 | C | C | . | . | trans | 46.8 | 49.1 | 175.4 | -75.4 | 4.2 | 0 | 0 | 0 | 115.2 | V260 A262 F315 V335 D337 D338 | V260-D313 WeakPolarHBondContact CB-O 3.3Å; A262-D313 VanDerWaalsContact CB-O 3.26Å; A262-D313 WeakPolarHBondContact CB-O 3.34Å; A262-D313 PolarHBondContact N-O 3.05Å; D313-F315 PolarHBondContact O-N 2.9Å; D313-V335 PolarHBondContact N-O 3.25Å; D313-D337 PolarHBondContact OD1-N 3.05Å; D313-D337 WeakPolarHBondContact OD2-CB 3.43Å; D313-D338 PolarHBondContact OD1-N 3.45Å; D313-D338 WeakPolarHBondContact OD2-CB 3.29Å; D313-D338 PolarHBondContact OD2-N 2.93Å | ||
| 314 | A | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 16% | 0.157 | C | C | . | . | trans | -62.1 | -24.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y299 I311 E312 F326 | Y299-A314 HydrophobicContact CD2-CB 4.35Å; Y299-A314 HydrophobicContact CE2-CB 3.84Å; Y299-A314 VanDerWaalsContact CE2-O 3.31Å; Y299-A314 WeakPolarHBondContact CE2-O 3.17Å; Y299-A314 PolarHBondContact OH-O 3.44Å; I311-A314 HydrophobicContact CG2-CB 3.87Å; E312-A314 VanDerWaalsContact C-N 3.32Å; E312-A314 PolarHBondContact O-N 3.26Å; A314-F326 HydrophobicContact CB-CD1 4.07Å; A314-F326 HydrophobicContact CB-CE1 4.09Å | ||
| 315 | F | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -139.1 | 167.3 | 179.5 | -58 | -83.6 | 0 | 0 | 0 | 109.7 | Y275 M295 L296 Y299 D313 D319 N322 W323 F326 | Y275-F315 HydrophobicContact CE2-CD1 4.29Å; Y275-F315 WeakPolarHBondContact OH-CB 3.27Å; M295-F315 HydrophobicContact CB-CD1 4.49Å; M295-F315 HydrophobicContact CB-CE1 3.85Å; L296-F315 HydrophobicContact CB-CZ 4.16Å; Y299-F315 HydrophobicContact CD2-CE2 4.49Å; Y299-F315 HydrophobicContact CD2-CZ 4.08Å; Y299-F315 HydrophobicContact CE2-CE1 4.17Å; Y299-F315 HydrophobicContact CE2-CE2 4.24Å; Y299-F315 AromaticContact CE2-CZ 3.86Å; Y299-F315 HydrophobicContact CE2-CZ 3.86Å; D313-F315 PolarHBondContact O-N 2.9Å; F315-D319 HydrophobicContact CB-CB 4.22Å; F315-N322 HydrophobicContact CD1-CB 3.57Å; F315-N322 HydrophobicContact CD2-CB 4.31Å; F315-N322 HydrophobicContact CE1-CB 3.73Å; F315-N322 HydrophobicContact CE2-CB 4.47Å; F315-N322 WeakPolarHBondContact CE2-O 3.5Å; F315-N322 HydrophobicContact CG-CB 3.88Å; F315-N322 HydrophobicContact CZ-CB 4.19Å; F315-W323 HydrophobicContact CB-CG 4.29Å; F315-W323 HydrophobicContact CD2-CD2 4.31Å; F315-W323 HydrophobicContact CD2-CG 4.23Å; F315-W323 PolarHBondContact O-NE1 3.09Å; F315-F326 HydrophobicContact CD2-CB 4.47Å; F315-F326 HydrophobicContact CE2-CB 3.41Å; F315-F326 VanDerWaalsContact CE2-CB 3.41Å; F315-F326 AromaticContact CE2-CD1 3.98Å; F315-F326 HydrophobicContact CE2-CD1 3.98Å; F315-F326 AromaticContact CE2-CG 3.79Å; F315-F326 HydrophobicContact CE2-CG 3.79Å; F315-F326 HydrophobicContact CZ-CB 3.93Å; F315-F326 HydrophobicContact CZ-CG 4.3Å |
| 316 | E | 98 | Very high | 98.2 | Very high | 22 Ų | 22 | 24.1 Ų | 24.1 | 10% | 0.103 | 13% | 0.129 | C | C | . | . | trans | -56.1 | 144.2 | 175.1 | -171.5 | -84.3 | 161.5 | 0 | 0 | 110.6 | F266 Y275 D318 D319 W323 | F266-E316 HydrophobicContact CB-CB 3.92Å; F266-E316 HydrophobicContact CB-CG 3.84Å; F266-E316 HydrophobicContact CD1-CB 4.33Å; F266-E316 HydrophobicContact CD1-CG 3.74Å; F266-E316 HydrophobicContact CD2-CB 3.61Å; F266-E316 HydrophobicContact CD2-CG 3.98Å; F266-E316 HydrophobicContact CE1-CG 4.24Å; F266-E316 HydrophobicContact CE2-CB 4.11Å; F266-E316 HydrophobicContact CE2-CG 4.41Å; F266-E316 HydrophobicContact CG-CB 3.7Å; F266-E316 HydrophobicContact CG-CG 3.58Å; Y275-E316 HydrophobicContact CE1-CB 4.16Å; Y275-E316 PolarHBondContact OH-N 3.43Å; E316-D318 PolarHBondContact O-N 3.08Å; E316-D318 WeakPolarHBondContact OE2-CA 3.41Å; E316-D318 PolarHBondContact OE2-N 3.48Å; E316-D319 HydrophobicContact CB-CB 4.18Å; E316-D319 WeakPolarHBondContact O-CB 3.46Å; E316-D319 PolarHBondContact O-N 3.05Å; E316-D319 PolarHBondContact OE2-N 3.41Å; E316-D319 VanDerWaalsContact OE2-N 3.09Å; E316-W323 PolarHBondContact O-NE1 3.16Å | ||
| 317 | Q | 97.1 | Very high | 98.2 | Very high | 14 Ų | 14 | 25 Ų | 25 | 7% | 0.065 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -13.1 | -169.8 | 68.7 | -161.8 | -18.8 | 0 | 0 | 116.1 | G56 I57 S263 D338 L339 R346 | G56-Q317 VanDerWaalsContact CA-OE1 3.27Å; I57-Q317 VanDerWaalsContact CD1-NE2 3.34Å; I57-Q317 VanDerWaalsContact CG1-NE2 3.29Å; I57-Q317 VanDerWaalsContact CG2-NE2 3.35Å; I57-Q317 VanDerWaalsContact N-OE1 3.08Å; S263-Q317 PolarHBondContact OG-N 2.98Å; S263-Q317 VanDerWaalsContact OG-N 3.14Å; Q317-D338 HydrophobicContact CB-CB 3.79Å; Q317-L339 VanDerWaalsContact O-CD1 3.23Å; Q317-L339 WeakPolarHBondContact O-CD1 3.4Å; Q317-R346 PolarHBondContact O-NH2 2.79Å |
| 318 | D | 96.8 | Very high | 98.3 | Very high | 56 Ų | 56 | 31.6 Ų | 31.6 | 30% | 0.299 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -123.9 | 9.3 | 173.7 | -77.2 | -34.4 | 0 | 0 | 0 | 113.3 | H58 E316 W320 R346 | H58-D318 IonicContact NE2-OD1 2.6Å; H58-D318 IonicContact NE2-OD2 3.92Å; E316-D318 PolarHBondContact O-N 3.08Å; E316-D318 WeakPolarHBondContact OE2-CA 3.41Å; E316-D318 PolarHBondContact OE2-N 3.48Å; D318-W320 PolarHBondContact O-N 3.11Å; D318-W320 PolarHBondContact OD1-NE1 2.91Å; D318-R346 IonicContact OD1-CZ 3.67Å; D318-R346 IonicContact OD1-NH1 3.79Å; D318-R346 IonicContact OD1-NH2 2.73Å; D318-R346 PolarHBondContact OD1-NH2 3Å |
| 319 | D | 96.9 | Very high | 98.2 | Very high | 12 Ų | 12 | 33.2 Ų | 33.2 | 6% | 0.064 | 17% | 0.169 | C | C | . | . | trans | -80.3 | 53 | 172.4 | -166.3 | 1.8 | 0 | 0 | 0 | 112.1 | Y275 F315 E316 D321 N322 W323 | Y275-D319 PolarHBondContact OH-OD2 3.33Å; F315-D319 HydrophobicContact CB-CB 4.22Å; E316-D319 HydrophobicContact CB-CB 4.18Å; E316-D319 WeakPolarHBondContact O-CB 3.46Å; E316-D319 PolarHBondContact O-N 3.05Å; E316-D319 PolarHBondContact OE2-N 3.41Å; E316-D319 VanDerWaalsContact OE2-N 3.09Å; D319-D321 PolarHBondContact O-N 2.95Å; D319-D321 VanDerWaalsContact O-N 3.07Å; D319-N322 PolarHBondContact O-N 3.07Å; D319-N322 VanDerWaalsContact O-N 3.1Å; D319-N322 PolarHBondContact OD1-ND2 3.31Å; D319-N322 PolarHBondContact OD2-ND2 3.48Å; D319-W323 VanDerWaalsContact O-CD1 3.28Å; D319-W323 PolarHBondContact O-N 2.97Å | ||
| 320 | W | 98 | Very high | 98.2 | Very high | 27 Ų | 27 | 32.9 Ų | 32.9 | 10% | 0.102 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -51.4 | -35.3 | -172.4 | -66.8 | 99.1 | 0 | 0 | 0 | 114.3 | D318 A324 L339 T349 A350 K353 A355 | D318-W320 PolarHBondContact O-N 3.11Å; D318-W320 PolarHBondContact OD1-NE1 2.91Å; W320-A324 WeakPolarHBondContact O-CB 3.2Å; W320-A324 PolarHBondContact O-N 3.28Å; W320-L339 HydrophobicContact CD2-CD1 4.15Å; W320-L339 HydrophobicContact CE3-CD1 3.71Å; W320-L339 HydrophobicContact CH2-CD1 3.54Å; W320-L339 HydrophobicContact CH2-CG 4Å; W320-L339 HydrophobicContact CZ2-CD1 3.99Å; W320-L339 HydrophobicContact CZ3-CD1 3.37Å; W320-L339 HydrophobicContact CZ3-CD2 4.17Å; W320-L339 HydrophobicContact CZ3-CG 3.86Å; W320-T349 HydrophobicContact CH2-CG2 3.78Å; W320-T349 HydrophobicContact CZ2-CG2 3.84Å; W320-T349 HydrophobicContact CZ3-CG2 4.24Å; W320-A350 HydrophobicContact CH2-CB 4.08Å; W320-A350 HydrophobicContact CZ3-CB 3.67Å; W320-K353 HydrophobicContact CB-CD 3.84Å; W320-K353 HydrophobicContact CD2-CD 3.52Å; W320-K353 HydrophobicContact CE3-CB 4.22Å; W320-K353 HydrophobicContact CE3-CD 3.54Å; W320-K353 HydrophobicContact CE3-CG 4.47Å; W320-K353 HydrophobicContact CG-CD 3.66Å; W320-K353 HydrophobicContact CZ3-CD 4.31Å; W320-A355 HydrophobicContact CE3-CB 3.7Å; W320-A355 HydrophobicContact CZ3-CB 3.83Å |
| 321 | D | 97.9 | Very high | 98.1 | Very high | 123 Ų | 123 | 40 Ų | 40 | 66% | 0.658 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -67.8 | -43 | -177.6 | -70.8 | -14.7 | 0 | 0 | 0 | 111.3 | D319 A324 K325 | D319-D321 PolarHBondContact O-N 2.95Å; D319-D321 VanDerWaalsContact O-N 3.07Å; D321-A324 PolarHBondContact O-N 3.34Å; D321-K325 WeakPolarHBondContact O-CB 3.46Å; D321-K325 VanDerWaalsContact O-CG 3.29Å; D321-K325 WeakPolarHBondContact O-CG 2.71Å; D321-K325 PolarHBondContact O-N 3.23Å |
| 322 | N | 98.5 | Very high | 98.1 | Very high | 19 Ų | 19 | 41.2 Ų | 41.2 | 10% | 0.102 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -74.3 | -35.1 | 179.1 | -68.5 | -45 | 0 | 0 | 0 | 112 | F315 D319 A324 K325 F326 | F315-N322 HydrophobicContact CD1-CB 3.57Å; F315-N322 HydrophobicContact CD2-CB 4.31Å; F315-N322 HydrophobicContact CE1-CB 3.73Å; F315-N322 HydrophobicContact CE2-CB 4.47Å; F315-N322 WeakPolarHBondContact CE2-O 3.5Å; F315-N322 HydrophobicContact CG-CB 3.88Å; F315-N322 HydrophobicContact CZ-CB 4.19Å; D319-N322 PolarHBondContact O-N 3.07Å; D319-N322 VanDerWaalsContact O-N 3.1Å; D319-N322 PolarHBondContact OD1-ND2 3.31Å; D319-N322 PolarHBondContact OD2-ND2 3.48Å; N322-A324 PolarHBondContact O-N 3.21Å; N322-K325 PolarHBondContact O-N 2.93Å; N322-K325 PolarHBondContact OD1-NZ 3.38Å; N322-F326 WeakPolarHBondContact O-CB 3.4Å; N322-F326 PolarHBondContact O-N 2.86Å |
| 323 | W | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -54.1 | -52.1 | 167.2 | -82.3 | 100.8 | 0 | 0 | 0 | 111.9 | F315 E316 D319 F326 L327 V334 V335 L339 A355 C356 | F315-W323 HydrophobicContact CB-CG 4.29Å; F315-W323 HydrophobicContact CD2-CD2 4.31Å; F315-W323 HydrophobicContact CD2-CG 4.23Å; F315-W323 PolarHBondContact O-NE1 3.09Å; E316-W323 PolarHBondContact O-NE1 3.16Å; D319-W323 VanDerWaalsContact O-CD1 3.28Å; D319-W323 PolarHBondContact O-N 2.97Å; W323-F326 PolarHBondContact O-N 3.2Å; W323-L327 PolarHBondContact O-N 3.46Å; W323-V334 HydrophobicContact CE3-CG1 3.86Å; W323-V334 HydrophobicContact CZ3-CG1 3.66Å; W323-V335 WeakPolarHBondContact CH2-O 3.27Å; W323-L339 HydrophobicContact CD2-CD1 4.45Å; W323-L339 HydrophobicContact CD2-CD2 3.8Å; W323-L339 HydrophobicContact CE3-CD2 3.91Å; W323-L339 HydrophobicContact CG-CD1 4.38Å; W323-L339 HydrophobicContact CG-CD2 4.27Å; W323-L339 HydrophobicContact CH2-CB 4.34Å; W323-L339 HydrophobicContact CH2-CD2 4.24Å; W323-L339 HydrophobicContact CZ2-CB 3.96Å; W323-L339 HydrophobicContact CZ2-CD2 4.2Å; W323-L339 HydrophobicContact CZ3-CD2 4.11Å; W323-A355 CarbonylContact C-O 3.53Å; W323-A355 HydrophobicContact CB-CB 3.88Å; W323-C356 HydrophobicContact CE3-CB 4.22Å; W323-C356 HydrophobicContact CZ3-CB 4.08Å |
| 324 | A | 98.6 | Very high | 98.1 | Very high | 29 Ų | 29 | 41.1 Ų | 41.1 | 24% | 0.24 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.9 | -40.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | W320 D321 N322 F326 K328 K354 | W320-A324 WeakPolarHBondContact O-CB 3.2Å; W320-A324 PolarHBondContact O-N 3.28Å; D321-A324 PolarHBondContact O-N 3.34Å; N322-A324 PolarHBondContact O-N 3.21Å; A324-F326 VanDerWaalsContact C-N 3.32Å; A324-F326 PolarHBondContact O-N 2.94Å; A324-K328 WeakPolarHBondContact O-CB 3.34Å; A324-K328 PolarHBondContact O-N 3.19Å; A324-K328 VanDerWaalsContact O-N 3.12Å; A324-K354 WeakPolarHBondContact CA-O 3.4Å |
| 325 | K | 98.5 | Very high | 98.1 | Very high | 93 Ų | 93 | 41.1 Ų | 41.1 | 40% | 0.404 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -58.6 | -45 | 172.4 | -76.6 | 174.1 | -178.7 | 177.3 | 0 | 111.2 | D293 L296 D321 N322 K328 S329 | D293-K325 IonicContact OD1-NZ 2.9Å; D293-K325 PolarHBondContact OD1-NZ 3.07Å; D293-K325 IonicContact OD2-NZ 2.89Å; L296-K325 HydrophobicContact CD1-CB 3.82Å; D321-K325 WeakPolarHBondContact O-CB 3.46Å; D321-K325 VanDerWaalsContact O-CG 3.29Å; D321-K325 WeakPolarHBondContact O-CG 2.71Å; D321-K325 PolarHBondContact O-N 3.23Å; N322-K325 PolarHBondContact O-N 2.93Å; N322-K325 PolarHBondContact OD1-NZ 3.38Å; K325-K328 PolarHBondContact O-N 2.8Å; K325-S329 WeakPolarHBondContact O-CB 3.47Å; K325-S329 PolarHBondContact O-N 3.32Å |
| 326 | F | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -67.8 | -47.6 | -177.8 | -178.5 | -124.4 | 0 | 0 | 0 | 111.9 | L296 Y299 L303 I311 A314 F315 N322 W323 A324 K328 S329 T330 V334 | L296-F326 HydrophobicContact CD1-CB 4.17Å; L296-F326 HydrophobicContact CG-CD2 4.18Å; Y299-F326 HydrophobicContact CD2-CD2 4.48Å; Y299-F326 HydrophobicContact CD2-CE2 4.24Å; Y299-F326 HydrophobicContact CD2-CZ 4.35Å; Y299-F326 HydrophobicContact CG-CE2 4.35Å; Y299-F326 HydrophobicContact CG-CZ 4.37Å; L303-F326 HydrophobicContact CD1-CE2 4.36Å; L303-F326 HydrophobicContact CD1-CZ 4.38Å; I311-F326 HydrophobicContact CB-CE1 4.45Å; I311-F326 HydrophobicContact CD1-CZ 4.06Å; I311-F326 HydrophobicContact CG2-CE1 4.46Å; A314-F326 HydrophobicContact CB-CD1 4.07Å; A314-F326 HydrophobicContact CB-CE1 4.09Å; F315-F326 HydrophobicContact CD2-CB 4.47Å; F315-F326 HydrophobicContact CE2-CB 3.41Å; F315-F326 VanDerWaalsContact CE2-CB 3.41Å; F315-F326 AromaticContact CE2-CD1 3.98Å; F315-F326 HydrophobicContact CE2-CD1 3.98Å; F315-F326 AromaticContact CE2-CG 3.79Å; F315-F326 HydrophobicContact CE2-CG 3.79Å; F315-F326 HydrophobicContact CZ-CB 3.93Å; F315-F326 HydrophobicContact CZ-CG 4.3Å; N322-F326 WeakPolarHBondContact O-CB 3.4Å; N322-F326 PolarHBondContact O-N 2.86Å; W323-F326 PolarHBondContact O-N 3.2Å; A324-F326 VanDerWaalsContact C-N 3.32Å; A324-F326 PolarHBondContact O-N 2.94Å; F326-K328 VanDerWaalsContact C-N 3.25Å; F326-K328 PolarHBondContact O-N 3.33Å; F326-S329 WeakPolarHBondContact CA-OG 3.2Å; F326-S329 WeakPolarHBondContact O-CA 3.48Å; F326-S329 WeakPolarHBondContact O-CB 3.35Å; F326-S329 PolarHBondContact O-N 3Å; F326-S329 PolarHBondContact O-OG 2.77Å; F326-T330 HydrophobicContact CE1-CG2 4.38Å; F326-T330 HydrophobicContact CE2-CG2 4.19Å; F326-T330 HydrophobicContact CZ-CG2 4.1Å; F326-T330 WeakPolarHBondContact O-CG2 3.43Å; F326-T330 PolarHBondContact O-N 2.91Å; F326-V334 HydrophobicContact CD1-CG1 4.19Å; F326-V334 HydrophobicContact CD1-CG2 4.07Å; F326-V334 HydrophobicContact CE1-CG1 4.41Å; F326-V334 HydrophobicContact CE1-CG2 3.88Å |
| 327 | L | 98.5 | Very high | 98.1 | Very high | 31 Ų | 31 | 40.3 Ų | 40.3 | 16% | 0.162 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -56.2 | -40.6 | 176.3 | -179.2 | 66.1 | 0 | 0 | 0 | 111.8 | W323 S329 T330 V334 K354 C356 N357 | W323-L327 PolarHBondContact O-N 3.46Å; L327-S329 PolarHBondContact O-N 2.98Å; L327-T330 VanDerWaalsContact O-O 3.07Å; L327-V334 HydrophobicContact CD1-CB 4.08Å; L327-V334 HydrophobicContact CD1-CG2 3.96Å; L327-K354 HydrophobicContact CD2-CB 4.32Å; L327-K354 WeakPolarHBondContact CD2-O 3.33Å; L327-C356 WeakPolarHBondContact CD2-O 3.26Å; L327-N357 HydrophobicContact CD1-CB 3.82Å; L327-N357 WeakPolarHBondContact CD1-ND2 3.5Å |
| 328 | K | 98.3 | Very high | 98.1 | Very high | 195 Ų | 195 | 39.8 Ų | 39.8 | 85% | 0.848 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -66.7 | -22.8 | 176.3 | -174.2 | 177.2 | 176.9 | -175.1 | 0 | 113.2 | A324 K325 F326 | A324-K328 WeakPolarHBondContact O-CB 3.34Å; A324-K328 PolarHBondContact O-N 3.19Å; A324-K328 VanDerWaalsContact O-N 3.12Å; K325-K328 PolarHBondContact O-N 2.8Å; F326-K328 VanDerWaalsContact C-N 3.25Å; F326-K328 PolarHBondContact O-N 3.33Å |
| 329 | S | 98 | Very high | 98.1 | Very high | 44 Ų | 44 | 37.1 Ų | 37.1 | 31% | 0.308 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | -2.7 | -172.9 | 77.9 | 0 | 0 | 0 | 0 | 114.7 | K325 F326 L327 | K325-S329 WeakPolarHBondContact O-CB 3.47Å; K325-S329 PolarHBondContact O-N 3.32Å; F326-S329 WeakPolarHBondContact CA-OG 3.2Å; F326-S329 WeakPolarHBondContact O-CA 3.48Å; F326-S329 WeakPolarHBondContact O-CB 3.35Å; F326-S329 PolarHBondContact O-N 3Å; F326-S329 PolarHBondContact O-OG 2.77Å; L327-S329 PolarHBondContact O-N 2.98Å |
| 330 | T | 97.8 | Very high | 98.2 | Very high | 22 Ų | 22 | 36.5 Ų | 36.5 | 14% | 0.135 | 19% | 0.187 | C | C | . | . | trans | -146.9 | 153.2 | -174.7 | -167.7 | 0 | 0 | 0 | 0 | 112.4 | L303 F326 L327 I332 V334 | L303-T330 VanDerWaalsContact CD1-OG1 3.24Å; L303-T330 WeakPolarHBondContact CD1-OG1 3.44Å; F326-T330 HydrophobicContact CE1-CG2 4.38Å; F326-T330 HydrophobicContact CE2-CG2 4.19Å; F326-T330 HydrophobicContact CZ-CG2 4.1Å; F326-T330 WeakPolarHBondContact O-CG2 3.43Å; F326-T330 PolarHBondContact O-N 2.91Å; L327-T330 VanDerWaalsContact O-O 3.07Å; T330-I332 HydrophobicContact CG2-CG1 3.77Å; T330-I332 WeakPolarHBondContact OG1-CG1 3.38Å; T330-I332 PolarHBondContact OG1-N 3.48Å; T330-V334 HydrophobicContact CG2-CG2 3.91Å | ||
| 331 | D | 96.4 | Very high | 98.1 | Very high | 150 Ų | 150 | 35.2 Ų | 35.2 | 80% | 0.802 | 18% | 0.183 | S | C | * | . | trans | -98.8 | -4.4 | 176.6 | -63.7 | -47.6 | 0 | 0 | 0 | 113 | R450 | D331-R450 PolarHBondContact O-NH1 2.94Š| ||
| 332 | I | 98.3 | Very high | 98.1 | Very high | 26 Ų | 26 | 29.4 Ų | 29.4 | 13% | 0.133 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -69.2 | 172.4 | -178.6 | 71.7 | 151.9 | 0 | 0 | 0 | 111.9 | L303 I308 I311 T330 V334 N357 | L303-I332 HydrophobicContact CD1-CD1 4.26Å; L303-I332 HydrophobicContact CD1-CG1 4.32Å; L303-I332 HydrophobicContact CD1-CG2 4.49Å; L303-I332 HydrophobicContact CD2-CD1 3.67Å; L303-I332 HydrophobicContact CD2-CG1 4.41Å; L303-I332 HydrophobicContact CD2-CG2 4.24Å; I308-I332 HydrophobicContact CG2-CD1 4.35Å; I311-I332 HydrophobicContact CB-CD1 4.01Å; I311-I332 HydrophobicContact CD1-CD1 3.96Å; I311-I332 HydrophobicContact CG1-CD1 3.66Å; T330-I332 HydrophobicContact CG2-CG1 3.77Å; T330-I332 WeakPolarHBondContact OG1-CG1 3.38Å; T330-I332 PolarHBondContact OG1-N 3.48Å; I332-V334 HydrophobicContact CG1-CG2 4.5Å; I332-V334 PolarHBondContact O-N 2.86Å; I332-N357 PolarHBondContact O-ND2 2.85Å |
| 333 | Q | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 126.3 | 167.3 | -174.3 | 171.1 | -91.3 | 0 | 0 | 110.1 | V309 S310 I311 V335 N357 C358 | V309-Q333 WeakPolarHBondContact O-CB 3.29Å; V309-Q333 PolarHBondContact O-N 3Å; S310-Q333 CarbonylContact C-O 3.44Å; S310-Q333 VanDerWaalsContact CA-O 3.28Å; S310-Q333 WeakPolarHBondContact CA-O 3.15Å; S310-Q333 PolarHBondContact OG-NE2 3.03Å; I311-Q333 PolarHBondContact N-O 3.29Å; Q333-V335 HydrophobicContact CG-CG2 3.8Å; Q333-N357 WeakPolarHBondContact CA-OD1 3.3Å; Q333-C358 HydrophobicContact CG-CB 3.37Å; Q333-C358 PolarHBondContact OE1-SG 3.08Å |
| 334 | V | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 108.8 | 173 | 179 | 0 | 0 | 0 | 0 | 106 | I311 W323 F326 L327 T330 I332 C356 N357 C358 | I311-V334 CarbonylContact O-C 3.59Å; I311-V334 WeakPolarHBondContact O-CA 3.44Å; W323-V334 HydrophobicContact CE3-CG1 3.86Å; W323-V334 HydrophobicContact CZ3-CG1 3.66Å; F326-V334 HydrophobicContact CD1-CG1 4.19Å; F326-V334 HydrophobicContact CD1-CG2 4.07Å; F326-V334 HydrophobicContact CE1-CG1 4.41Å; F326-V334 HydrophobicContact CE1-CG2 3.88Å; L327-V334 HydrophobicContact CD1-CB 4.08Å; L327-V334 HydrophobicContact CD1-CG2 3.96Å; T330-V334 HydrophobicContact CG2-CG2 3.91Å; I332-V334 HydrophobicContact CG1-CG2 4.5Å; I332-V334 PolarHBondContact O-N 2.86Å; V334-C356 HydrophobicContact CG1-CB 4.03Å; V334-C356 WeakPolarHBondContact O-CB 3.27Å; V334-N357 PolarHBondContact N-OD1 2.83Å; V334-N357 PolarHBondContact O-N 3.28Å; V334-N357 PolarHBondContact O-OD1 2.82Å; V334-C358 PolarHBondContact O-N 3.48Å |
| 335 | V | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 125.8 | -172 | -169.5 | 0 | 0 | 0 | 0 | 109.2 | S310 I311 E312 D313 W323 Q333 C358 L360 | S310-V335 VanDerWaalsContact OG-CG2 3.27Å; S310-V335 WeakPolarHBondContact OG-CG2 3.34Å; I311-V335 PolarHBondContact O-N 2.79Å; E312-V335 HydrophobicContact CB-CB 3.84Å; E312-V335 HydrophobicContact CB-CG1 4.43Å; E312-V335 HydrophobicContact CB-CG2 4.36Å; E312-V335 HydrophobicContact CG-CB 4.15Å; E312-V335 HydrophobicContact CG-CG1 4.24Å; D313-V335 PolarHBondContact N-O 3.25Å; W323-V335 WeakPolarHBondContact CH2-O 3.27Å; Q333-V335 HydrophobicContact CG-CG2 3.8Å; V335-C358 WeakPolarHBondContact CA-O 3.16Å; V335-C358 HydrophobicContact CB-CB 4.39Å; V335-C358 HydrophobicContact CG1-CB 4.47Å; V335-C358 HydrophobicContact CG2-CB 4.02Å; V335-L360 HydrophobicContact CG1-CB 3.7Å; V335-L360 HydrophobicContact CG1-CD1 4Å; V335-L360 HydrophobicContact CG1-CG 4.47Å |
| 336 | G | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 113.8 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | T340 C358 L360 | G336-T340 PolarHBondContact O-OG1 2.87Å; G336-C358 PolarHBondContact N-O 2.77Å; G336-L360 PolarHBondContact O-N 2.92Å |
| 337 | D | 98.2 | Very high | 97.4 | Very high | 5 Ų | 5 | 34.3 Ų | 34.3 | 3% | 0.027 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -101.7 | -81.7 | 170.9 | 178.3 | 28.3 | 0 | 0 | 0 | 109.9 | E312 D313 L339 T340 C341 L360 K362 Q365 | E312-D337 HydrophobicContact CG-CB 4.2Å; D313-D337 PolarHBondContact OD1-N 3.05Å; D313-D337 WeakPolarHBondContact OD2-CB 3.43Å; D337-L339 PolarHBondContact O-N 3.05Å; D337-T340 CarbonylContact O-C 3.51Å; D337-T340 PolarHBondContact O-N 3.18Å; D337-T340 PolarHBondContact O-OG1 3.2Å; D337-C341 PolarHBondContact O-N 2.81Å; D337-L360 HydrophobicContact CB-CB 3.79Å; D337-L360 HydrophobicContact CB-CD2 3.66Å; D337-L360 HydrophobicContact CB-CG 4.37Å; D337-L360 WeakPolarHBondContact OD2-CD2 3.27Å; D337-K362 IonicContact OD1-NZ 2.8Å; D337-K362 IonicContact OD2-NZ 3.2Å; D337-K362 PolarHBondContact OD2-NZ 3.36Å; D337-Q365 PolarHBondContact OD1-NE2 2.85Å; D337-Q365 PolarHBondContact OD1-OE1 3.29Å |
| 338 | D | 96.8 | Very high | 97.4 | Very high | 3 Ų | 3 | 35.6 Ų | 35.6 | 2% | 0.016 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -31.4 | 178.6 | -74.4 | -15.4 | 0 | 0 | 0 | 112.1 | G56 D313 Q317 T340 C341 | G56-D338 VanDerWaalsContact CA-OD1 3.3Å; G56-D338 WeakPolarHBondContact CA-OD1 3.16Å; G56-D338 PolarHBondContact N-OD1 2.97Å; D313-D338 PolarHBondContact OD1-N 3.45Å; D313-D338 WeakPolarHBondContact OD2-CB 3.29Å; D313-D338 PolarHBondContact OD2-N 2.93Å; Q317-D338 HydrophobicContact CB-CB 3.79Å; D338-T340 PolarHBondContact O-N 2.91Å; D338-C341 PolarHBondContact O-SG 2.9Å |
| 339 | L | 97.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -37.8 | 173.1 | -176 | 70.5 | 0 | 0 | 0 | 112.1 | Q317 W320 W323 D337 R346 A350 A355 C356 | Q317-L339 VanDerWaalsContact O-CD1 3.23Å; Q317-L339 WeakPolarHBondContact O-CD1 3.4Å; W320-L339 HydrophobicContact CD2-CD1 4.15Å; W320-L339 HydrophobicContact CE3-CD1 3.71Å; W320-L339 HydrophobicContact CH2-CD1 3.54Å; W320-L339 HydrophobicContact CH2-CG 4Å; W320-L339 HydrophobicContact CZ2-CD1 3.99Å; W320-L339 HydrophobicContact CZ3-CD1 3.37Å; W320-L339 HydrophobicContact CZ3-CD2 4.17Å; W320-L339 HydrophobicContact CZ3-CG 3.86Å; W323-L339 HydrophobicContact CD2-CD1 4.45Å; W323-L339 HydrophobicContact CD2-CD2 3.8Å; W323-L339 HydrophobicContact CE3-CD2 3.91Å; W323-L339 HydrophobicContact CG-CD1 4.38Å; W323-L339 HydrophobicContact CG-CD2 4.27Å; W323-L339 HydrophobicContact CH2-CB 4.34Å; W323-L339 HydrophobicContact CH2-CD2 4.24Å; W323-L339 HydrophobicContact CZ2-CB 3.96Å; W323-L339 HydrophobicContact CZ2-CD2 4.2Å; W323-L339 HydrophobicContact CZ3-CD2 4.11Å; D337-L339 PolarHBondContact O-N 3.05Å; L339-R346 PolarHBondContact O-NE 3.16Å; L339-R346 PolarHBondContact O-NH2 2.99Å; L339-A350 HydrophobicContact CD2-CB 4.23Å; L339-A355 HydrophobicContact CD2-CB 3.88Å; L339-C356 HydrophobicContact CD2-CB 4.17Å |
| 340 | T | 98 | Very high | 97.5 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.4 | -27.7 | -171.2 | 72.7 | 0 | 0 | 0 | 0 | 113.9 | G336 D337 D338 T342 N343 R346 I347 A350 L359 W384 | G336-T340 PolarHBondContact O-OG1 2.87Å; D337-T340 CarbonylContact O-C 3.51Å; D337-T340 PolarHBondContact O-N 3.18Å; D337-T340 PolarHBondContact O-OG1 3.2Å; D338-T340 PolarHBondContact O-N 2.91Å; T340-T342 PolarHBondContact O-N 3.45Å; T340-T342 VanDerWaalsContact O-N 3.12Å; T340-N343 WeakPolarHBondContact O-CB 3.36Å; T340-N343 PolarHBondContact O-N 3.05Å; T340-R346 WeakPolarHBondContact O-CB 3.39Å; T340-I347 HydrophobicContact CG2-CG1 4.33Å; T340-A350 HydrophobicContact CG2-CB 4.18Å; T340-L359 WeakPolarHBondContact OG1-CD1 3.34Å; T340-W384 HydrophobicContact CG2-CZ3 4.45Å |
| 341 | C | 96.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.2 | 31.3 | -178.3 | -65.7 | 0 | 0 | 0 | 0 | 113.7 | H58 E59 D337 D338 N343 Q365 | H58-C341 HydrophobicContact CB-CB 4.48Å; E59-C341 HydrophobicContact CG-CB 4.25Å; D337-C341 PolarHBondContact O-N 2.81Å; D338-C341 PolarHBondContact O-SG 2.9Å; C341-N343 PolarHBondContact O-N 3.01Å; C341-Q365 VanDerWaalsContact C-OE1 3.26Å; C341-Q365 WeakPolarHBondContact O-CB 3.47Å |
| 342 | T | 97.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.8 | 19.2 | -171 | -48.7 | 0 | 0 | 0 | 0 | 113.4 | T340 L360 L361 K362 Q365 I366 A375 | T340-T342 PolarHBondContact O-N 3.45Å; T340-T342 VanDerWaalsContact O-N 3.12Å; T342-L360 PolarHBondContact OG1-O 2.86Å; T342-L361 HydrophobicContact CG2-CG 3.98Å; T342-K362 PolarHBondContact OG1-N 3.3Å; T342-K362 PolarHBondContact OG1-O 3.03Å; T342-Q365 PolarHBondContact OG1-OE1 2.9Å; T342-I366 HydrophobicContact CG2-CB 4.01Å; T342-I366 HydrophobicContact CG2-CG2 3.76Å; T342-A375 HydrophobicContact CG2-CB 3.84Å; T342-A375 WeakPolarHBondContact O-CB 3.4Å |
| 343 | N | 95.5 | Very high | 97.6 | Very high | 38 Ų | 38 | 28.7 Ų | 28.7 | 20% | 0.203 | 14% | 0.142 | C | C | . | . | trans | -96.6 | 117.7 | -174 | -177.4 | -34.5 | 0 | 0 | 0 | 110.6 | T340 C341 K345 R346 I347 I366 | T340-N343 WeakPolarHBondContact O-CB 3.36Å; T340-N343 PolarHBondContact O-N 3.05Å; C341-N343 PolarHBondContact O-N 3.01Å; N343-K345 PolarHBondContact O-N 3.46Å; N343-K345 WeakPolarHBondContact OD1-CB 3.49Å; N343-K345 PolarHBondContact OD1-N 2.94Å; N343-R346 HydrophobicContact CB-CB 4.37Å; N343-R346 HydrophobicContact CB-CG 4.47Å; N343-R346 PolarHBondContact O-N 2.73Å; N343-I347 VanDerWaalsContact O-CG1 3.3Å; N343-I347 WeakPolarHBondContact O-CG1 3.35Å; N343-I347 PolarHBondContact O-N 3.04Å; N343-I366 HydrophobicContact CB-CD1 4.39Å | ||
| 344 | P | 93.9 | Very high | 97.6 | Very high | 40 Ų | 40 | 36 Ų | 36 | 26% | 0.26 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -52.7 | -32.1 | -178.8 | -28.9 | 36 | 0 | 0 | 0 | 115.2 | Q348 A375 | P344-Q348 WeakPolarHBondContact O-CB 3.25Å; P344-Q348 PolarHBondContact O-N 3.06Å; P344-A375 HydrophobicContact CG-CB 4.4Å |
| 345 | K | 94.9 | Very high | 97.5 | Very high | 134 Ų | 134 | 36 Ų | 36 | 58% | 0.583 | 17% | 0.174 | S | C | * | . | H | α-helix | trans | -68.8 | -45.6 | 176.8 | -62.7 | -177.2 | -174.2 | 176.1 | 0 | 111.5 | E115 N343 Q348 T349 | E115-K345 IonicContact OE1-NZ 2.72Å; E115-K345 PolarHBondContact OE1-NZ 3.2Å; N343-K345 PolarHBondContact O-N 3.46Å; N343-K345 WeakPolarHBondContact OD1-CB 3.49Å; N343-K345 PolarHBondContact OD1-N 2.94Å; K345-Q348 WeakPolarHBondContact O-CB 3.47Å; K345-Q348 PolarHBondContact O-N 3.3Å; K345-T349 PolarHBondContact O-N 2.8Å; K345-T349 VanDerWaalsContact O-N 3.1Å; K345-T349 PolarHBondContact O-OG1 2.79Å |
| 346 | R | 97.1 | Very high | 97.5 | Very high | 32 Ų | 32 | 36 Ų | 36 | 12% | 0.121 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -71.8 | -36.2 | 178.2 | -68.9 | -165.2 | 68 | 89.7 | -4.7 | 111.8 | H58 Q317 D318 L339 T340 N343 Q348 T349 A350 | H58-R346 PolarHBondContact CD2-NH1 2.98Å; H58-R346 PolarHBondContact CE1-NH1 2.9Å; H58-R346 PolarHBondContact NE2-NH1 3.17Å; Q317-R346 PolarHBondContact O-NH2 2.79Å; D318-R346 IonicContact OD1-CZ 3.67Å; D318-R346 IonicContact OD1-NH1 3.79Å; D318-R346 IonicContact OD1-NH2 2.73Å; D318-R346 PolarHBondContact OD1-NH2 3Å; L339-R346 PolarHBondContact O-NE 3.16Å; L339-R346 PolarHBondContact O-NH2 2.99Å; T340-R346 WeakPolarHBondContact O-CB 3.39Å; N343-R346 HydrophobicContact CB-CB 4.37Å; N343-R346 HydrophobicContact CB-CG 4.47Å; N343-R346 PolarHBondContact O-N 2.73Å; R346-Q348 VanDerWaalsContact C-N 3.3Å; R346-Q348 PolarHBondContact O-N 2.96Å; R346-T349 WeakPolarHBondContact O-CB 3.4Å; R346-T349 PolarHBondContact O-N 3.18Å; R346-A350 WeakPolarHBondContact O-CB 3.12Å; R346-A350 PolarHBondContact O-N 3.45Å |
| 347 | I | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -56 | -47.2 | 170.3 | -66.8 | 165.5 | 0 | 0 | 0 | 109.9 | T340 N343 T349 A350 I351 L359 A375 K378 W384 | T340-I347 HydrophobicContact CG2-CG1 4.33Å; N343-I347 VanDerWaalsContact O-CG1 3.3Å; N343-I347 WeakPolarHBondContact O-CG1 3.35Å; N343-I347 PolarHBondContact O-N 3.04Å; I347-T349 PolarHBondContact O-N 3.17Å; I347-A350 PolarHBondContact O-N 2.59Å; I347-I351 HydrophobicContact CG2-CD1 3.73Å; I347-I351 HydrophobicContact CG2-CG1 4.44Å; I347-I351 WeakPolarHBondContact O-CD1 3.37Å; I347-I351 VanDerWaalsContact O-CG1 3.26Å; I347-I351 WeakPolarHBondContact O-CG1 3.28Å; I347-I351 PolarHBondContact O-N 3.18Å; I347-L359 HydrophobicContact CD1-CD1 3.89Å; I347-L359 HydrophobicContact CD1-CD2 3.83Å; I347-L359 HydrophobicContact CD1-CG 4.48Å; I347-L359 HydrophobicContact CG1-CD1 4.12Å; I347-A375 HydrophobicContact CD1-CB 3.72Å; I347-K378 HydrophobicContact CG2-CB 4.44Å; I347-K378 HydrophobicContact CG2-CG 3.89Å; I347-W384 HydrophobicContact CG2-CZ3 4.19Å |
| 348 | Q | 98 | Very high | 97.6 | Very high | 58 Ų | 58 | 37 Ų | 37 | 27% | 0.271 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -57.9 | -48.4 | 175.3 | -178 | 61.8 | 62 | 0 | 0 | 111.9 | P344 K345 R346 A350 I351 D352 | P344-Q348 WeakPolarHBondContact O-CB 3.25Å; P344-Q348 PolarHBondContact O-N 3.06Å; K345-Q348 WeakPolarHBondContact O-CB 3.47Å; K345-Q348 PolarHBondContact O-N 3.3Å; R346-Q348 VanDerWaalsContact C-N 3.3Å; R346-Q348 PolarHBondContact O-N 2.96Å; Q348-A350 VanDerWaalsContact C-N 3.29Å; Q348-A350 PolarHBondContact O-N 2.99Å; Q348-I351 WeakPolarHBondContact O-CB 3.41Å; Q348-I351 PolarHBondContact O-N 3.3Å; Q348-D352 PolarHBondContact NE2-OD1 2.84Å; Q348-D352 PolarHBondContact NE2-OD2 3.27Å; Q348-D352 VanDerWaalsContact NE2-OD2 3.1Å; Q348-D352 VanDerWaalsContact O-CG 3.24Å; Q348-D352 PolarHBondContact O-N 2.69Å |
| 349 | T | 98.3 | Very high | 97.6 | Very high | 54 Ų | 54 | 36.9 Ų | 36.9 | 33% | 0.331 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -57.7 | -42.5 | 176.3 | -56.7 | 0 | 0 | 0 | 0 | 112.1 | W320 K345 R346 I347 D352 K353 | W320-T349 HydrophobicContact CH2-CG2 3.78Å; W320-T349 HydrophobicContact CZ2-CG2 3.84Å; W320-T349 HydrophobicContact CZ3-CG2 4.24Å; K345-T349 PolarHBondContact O-N 2.8Å; K345-T349 VanDerWaalsContact O-N 3.1Å; K345-T349 PolarHBondContact O-OG1 2.79Å; R346-T349 WeakPolarHBondContact O-CB 3.4Å; R346-T349 PolarHBondContact O-N 3.18Å; I347-T349 PolarHBondContact O-N 3.17Å; T349-D352 PolarHBondContact O-N 3.15Å; T349-K353 HydrophobicContact CG2-CD 4.03Å; T349-K353 HydrophobicContact CG2-CG 4.4Å; T349-K353 WeakPolarHBondContact O-CB 3.35Å; T349-K353 WeakPolarHBondContact O-CG 3.34Å; T349-K353 PolarHBondContact O-N 3.05Å |
| 350 | A | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -69.6 | -32.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | W320 L339 T340 R346 I347 Q348 K354 A355 W384 | W320-A350 HydrophobicContact CH2-CB 4.08Å; W320-A350 HydrophobicContact CZ3-CB 3.67Å; L339-A350 HydrophobicContact CD2-CB 4.23Å; T340-A350 HydrophobicContact CG2-CB 4.18Å; R346-A350 WeakPolarHBondContact O-CB 3.12Å; R346-A350 PolarHBondContact O-N 3.45Å; I347-A350 PolarHBondContact O-N 2.59Å; Q348-A350 VanDerWaalsContact C-N 3.29Å; Q348-A350 PolarHBondContact O-N 2.99Å; A350-K354 WeakPolarHBondContact O-CA 3.33Å; A350-K354 PolarHBondContact O-N 3.26Å; A350-A355 HydrophobicContact CB-CB 4.3Å; A350-A355 PolarHBondContact O-N 2.9Å; A350-W384 HydrophobicContact CB-CH2 3.63Å; A350-W384 HydrophobicContact CB-CZ2 4.49Å; A350-W384 HydrophobicContact CB-CZ3 4.49Å |
| 351 | I | 98.3 | Very high | 97.7 | Very high | 34 Ų | 34 | 37 Ų | 37 | 17% | 0.174 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.1 | -51.6 | 168.8 | -68.2 | 156 | 0 | 0 | 0 | 110.1 | I347 Q348 K353 K354 K378 S382 W384 | I347-I351 HydrophobicContact CG2-CD1 3.73Å; I347-I351 HydrophobicContact CG2-CG1 4.44Å; I347-I351 WeakPolarHBondContact O-CD1 3.37Å; I347-I351 VanDerWaalsContact O-CG1 3.26Å; I347-I351 WeakPolarHBondContact O-CG1 3.28Å; I347-I351 PolarHBondContact O-N 3.18Å; Q348-I351 WeakPolarHBondContact O-CB 3.41Å; Q348-I351 PolarHBondContact O-N 3.3Å; I351-K353 VanDerWaalsContact C-N 3.31Å; I351-K353 PolarHBondContact O-N 3.14Å; I351-K354 PolarHBondContact O-N 2.97Å; I351-K378 HydrophobicContact CD1-CG 4.42Å; I351-S382 WeakPolarHBondContact CD1-OG 3.23Å; I351-W384 HydrophobicContact CB-CZ2 4.17Å; I351-W384 HydrophobicContact CG1-CD2 4.37Å; I351-W384 HydrophobicContact CG1-CH2 3.78Å; I351-W384 HydrophobicContact CG1-CZ2 3.44Å; I351-W384 VanDerWaalsContact CG1-CZ2 3.44Å; I351-W384 HydrophobicContact CG1-CZ3 4.37Å |
| 352 | D | 98.4 | Very high | 97.8 | Very high | 108 Ų | 108 | 37.9 Ų | 37.9 | 58% | 0.578 | 18% | 0.183 | S | C | * | . | H | α-helix | trans | -62.9 | -39.7 | -175.9 | -66.2 | -27 | 0 | 0 | 0 | 111.9 | Q348 T349 K354 | Q348-D352 PolarHBondContact NE2-OD1 2.84Å; Q348-D352 PolarHBondContact NE2-OD2 3.27Å; Q348-D352 VanDerWaalsContact NE2-OD2 3.1Å; Q348-D352 VanDerWaalsContact O-CG 3.24Å; Q348-D352 PolarHBondContact O-N 2.69Å; T349-D352 PolarHBondContact O-N 3.15Å; D352-K354 VanDerWaalsContact C-N 3.31Å |
| 353 | K | 98.3 | Very high | 97.8 | Very high | 97 Ų | 97 | 38.1 Ų | 38.1 | 42% | 0.422 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -6.8 | 177.4 | -67.5 | -171.9 | 174.4 | -162.7 | 0 | 114 | W320 T349 I351 A355 | W320-K353 HydrophobicContact CB-CD 3.84Å; W320-K353 HydrophobicContact CD2-CD 3.52Å; W320-K353 HydrophobicContact CE3-CB 4.22Å; W320-K353 HydrophobicContact CE3-CD 3.54Å; W320-K353 HydrophobicContact CE3-CG 4.47Å; W320-K353 HydrophobicContact CG-CD 3.66Å; W320-K353 HydrophobicContact CZ3-CD 4.31Å; T349-K353 HydrophobicContact CG2-CD 4.03Å; T349-K353 HydrophobicContact CG2-CG 4.4Å; T349-K353 WeakPolarHBondContact O-CB 3.35Å; T349-K353 WeakPolarHBondContact O-CG 3.34Å; T349-K353 PolarHBondContact O-N 3.05Å; I351-K353 VanDerWaalsContact C-N 3.31Å; I351-K353 PolarHBondContact O-N 3.14Å; K353-A355 VanDerWaalsContact C-N 3.3Å; K353-A355 HydrophobicContact CB-CB 4.49Å; K353-A355 PolarHBondContact O-N 3.13Å |
| 354 | K | 98.2 | Very high | 97.9 | Very high | 152 Ų | 152 | 36.5 Ų | 36.5 | 66% | 0.661 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.9 | 49.6 | -174.3 | -54.9 | 179.1 | -179 | -179.6 | 0 | 111.6 | A324 L327 A350 I351 D352 | A324-K354 WeakPolarHBondContact CA-O 3.4Å; L327-K354 HydrophobicContact CD2-CB 4.32Å; L327-K354 WeakPolarHBondContact CD2-O 3.33Å; A350-K354 WeakPolarHBondContact O-CA 3.33Å; A350-K354 PolarHBondContact O-N 3.26Å; I351-K354 PolarHBondContact O-N 2.97Å; D352-K354 VanDerWaalsContact C-N 3.31Å |
| 355 | A | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 16% | 0.164 | C | C | . | . | trans | -87.1 | -35.4 | -172.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | W320 W323 L339 A350 K353 | W320-A355 HydrophobicContact CE3-CB 3.7Å; W320-A355 HydrophobicContact CZ3-CB 3.83Å; W323-A355 CarbonylContact C-O 3.53Å; W323-A355 HydrophobicContact CB-CB 3.88Å; L339-A355 HydrophobicContact CD2-CB 3.88Å; A350-A355 HydrophobicContact CB-CB 4.3Å; A350-A355 PolarHBondContact O-N 2.9Å; K353-A355 VanDerWaalsContact C-N 3.3Å; K353-A355 HydrophobicContact CB-CB 4.49Å; K353-A355 PolarHBondContact O-N 3.13Å | ||
| 356 | C | 98.6 | Very high | 98.1 | Very high | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.007 | 14% | 0.138 | C | C | . | . | trans | -145.6 | 177 | 177.6 | 65.6 | 0 | 0 | 0 | 0 | 110.7 | W323 L327 V334 L339 W384 | W323-C356 HydrophobicContact CE3-CB 4.22Å; W323-C356 HydrophobicContact CZ3-CB 4.08Å; L327-C356 WeakPolarHBondContact CD2-O 3.26Å; V334-C356 HydrophobicContact CG1-CB 4.03Å; V334-C356 WeakPolarHBondContact O-CB 3.27Å; L339-C356 HydrophobicContact CD2-CB 4.17Å; C356-W384 VanDerWaalsContact O-CE2 3.28Å; C356-W384 WeakPolarHBondContact O-CZ2 3.26Å; C356-W384 PolarHBondContact O-NE1 2.87Å; C356-W384 WeakPolarHBondContact SG-CH2 3.42Å; C356-W384 WeakPolarHBondContact SG-CZ3 3.42Å | ||
| 357 | N | 98.5 | Very high | 98.1 | Very high | 27 Ų | 27 | 27.1 Ų | 27.1 | 14% | 0.144 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -134.3 | 10.8 | 179.2 | 67.8 | 21.3 | 0 | 0 | 0 | 113.6 | L327 I332 Q333 V334 W384 G385 R450 | L327-N357 HydrophobicContact CD1-CB 3.82Å; L327-N357 WeakPolarHBondContact CD1-ND2 3.5Å; I332-N357 PolarHBondContact O-ND2 2.85Å; Q333-N357 WeakPolarHBondContact CA-OD1 3.3Å; V334-N357 PolarHBondContact N-OD1 2.83Å; V334-N357 PolarHBondContact O-N 3.28Å; V334-N357 PolarHBondContact O-OD1 2.82Å; N357-W384 VanDerWaalsContact O-CA 3.25Å; N357-W384 WeakPolarHBondContact O-CA 3.45Å; N357-W384 WeakPolarHBondContact O-CB 3.24Å; N357-G385 PolarHBondContact O-N 2.91Å; N357-G385 VanDerWaalsContact O-N 3.08Å; N357-R450 PolarHBondContact ND2-NH2 3.31Å; N357-R450 VanDerWaalsContact ND2-NH2 3.19Å |
| 358 | C | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 140.2 | 174.8 | -179.7 | 0 | 0 | 0 | 0 | 110.2 | Q333 V334 V335 G336 G385 | Q333-C358 HydrophobicContact CG-CB 3.37Å; Q333-C358 PolarHBondContact OE1-SG 3.08Å; V334-C358 PolarHBondContact O-N 3.48Å; V335-C358 WeakPolarHBondContact CA-O 3.16Å; V335-C358 HydrophobicContact CB-CB 4.39Å; V335-C358 HydrophobicContact CG1-CB 4.47Å; V335-C358 HydrophobicContact CG2-CB 4.02Å; G336-C358 PolarHBondContact N-O 2.77Å; C358-G385 VanDerWaalsContact CA-O 3.27Å; C358-G385 WeakPolarHBondContact CA-O 3.23Å; C358-G385 VanDerWaalsContact SG-C 3.55Å; C358-G385 PolarHBondContact SG-O 3.14Å |
| 359 | L | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 127.3 | 172.3 | 168.5 | 64.1 | 0 | 0 | 0 | 109.6 | T340 I347 L361 A375 A379 G385 V386 M387 | T340-L359 WeakPolarHBondContact OG1-CD1 3.34Å; I347-L359 HydrophobicContact CD1-CD1 3.89Å; I347-L359 HydrophobicContact CD1-CD2 3.83Å; I347-L359 HydrophobicContact CD1-CG 4.48Å; I347-L359 HydrophobicContact CG1-CD1 4.12Å; L359-L361 HydrophobicContact CD2-CB 4.42Å; L359-L361 HydrophobicContact CG-CB 4.42Å; L359-A375 HydrophobicContact CD2-CB 4.17Å; L359-A379 HydrophobicContact CB-CB 3.9Å; L359-A379 HydrophobicContact CD2-CB 3.98Å; L359-G385 PolarHBondContact N-O 3.3Å; L359-V386 HydrophobicContact CB-CG2 4.37Å; L359-V386 HydrophobicContact CD2-CG1 4.36Å; L359-V386 HydrophobicContact CG-CG1 4.49Å; L359-V386 CarbonylContact O-C 3.54Å; L359-V386 WeakPolarHBondContact O-CA 3.38Å; L359-M387 PolarHBondContact O-N 3.24Å |
| 360 | L | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 116.2 | 157.7 | -157.1 | 81.2 | 0 | 0 | 0 | 108.6 | E312 V335 G336 D337 T342 K362 M387 K413 | E312-L360 WeakPolarHBondContact OE1-CD2 3.11Å; V335-L360 HydrophobicContact CG1-CB 3.7Å; V335-L360 HydrophobicContact CG1-CD1 4Å; V335-L360 HydrophobicContact CG1-CG 4.47Å; G336-L360 PolarHBondContact O-N 2.92Å; D337-L360 HydrophobicContact CB-CB 3.79Å; D337-L360 HydrophobicContact CB-CD2 3.66Å; D337-L360 HydrophobicContact CB-CG 4.37Å; D337-L360 WeakPolarHBondContact OD2-CD2 3.27Å; T342-L360 PolarHBondContact OG1-O 2.86Å; L360-K362 HydrophobicContact CD2-CD 3.87Å; L360-K362 HydrophobicContact CD2-CG 4.19Å; L360-M387 CarbonylContact C-O 3.6Å; L360-M387 WeakPolarHBondContact CA-O 3.39Å; L360-M387 HydrophobicContact CD1-CB 4.03Å; L360-M387 HydrophobicContact CD1-CG 3.89Å; L360-M387 HydrophobicContact CD1-SD 3.73Å; L360-K413 HydrophobicContact CD1-CD 4.25Å |
| 361 | L | 98.7 | Very high | 98.2 | Very high | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.005 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 109.1 | -179.3 | -172.6 | 161.2 | 0 | 0 | 0 | 109.4 | T342 L359 V363 C376 V386 M387 V388 S389 L403 L407 | T342-L361 HydrophobicContact CG2-CG 3.98Å; L359-L361 HydrophobicContact CD2-CB 4.42Å; L359-L361 HydrophobicContact CG-CB 4.42Å; L361-V363 HydrophobicContact CD2-CG1 4.15Å; L361-C376 HydrophobicContact CD1-CB 3.69Å; L361-V386 HydrophobicContact CB-CG1 3.79Å; L361-V386 HydrophobicContact CD1-CG1 3.99Å; L361-M387 PolarHBondContact N-O 3.26Å; L361-V388 HydrophobicContact CD2-CG2 4.45Å; L361-S389 PolarHBondContact O-N 2.84Å; L361-L403 HydrophobicContact CD2-CD2 3.79Å; L361-L407 HydrophobicContact CD1-CD1 3.88Å |
| 362 | K | 98.2 | Very high | 98.2 | Very high | 19 Ų | 19 | 22.4 Ų | 22.4 | 8% | 0.083 | 11% | 0.107 | C | C | . | . | trans | -117.4 | 113.6 | 173.8 | -74.6 | 169.9 | 167 | 164 | 0 | 109.1 | D337 T342 L360 N364 Q365 H390 | D337-K362 IonicContact OD1-NZ 2.8Å; D337-K362 IonicContact OD2-NZ 3.2Å; D337-K362 PolarHBondContact OD2-NZ 3.36Å; T342-K362 PolarHBondContact OG1-N 3.3Å; T342-K362 PolarHBondContact OG1-O 3.03Å; L360-K362 HydrophobicContact CD2-CD 3.87Å; L360-K362 HydrophobicContact CD2-CG 4.19Å; K362-N364 PolarHBondContact O-N 3.23Å; K362-N364 VanDerWaalsContact O-N 3.1Å; K362-Q365 HydrophobicContact CB-CB 4.28Å; K362-Q365 HydrophobicContact CB-CG 3.64Å; K362-Q365 HydrophobicContact CD-CG 4.14Å; K362-Q365 WeakPolarHBondContact O-CB 3.33Å; K362-Q365 PolarHBondContact O-N 3.47Å; K362-H390 VanDerWaalsContact CE-O 3.25Å; K362-H390 WeakPolarHBondContact CE-O 3.35Å | ||
| 363 | V | 98 | Very high | 98.2 | Very high | 5 Ų | 5 | 17.7 Ų | 17.7 | 3% | 0.03 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -57.4 | -31.7 | -176.8 | -65.4 | 0 | 0 | 0 | 0 | 113.3 | L126 L361 G367 I400 L403 | L126-V363 HydrophobicContact CD1-CB 4.03Å; L126-V363 HydrophobicContact CD1-CG2 4.3Å; L126-V363 HydrophobicContact CD2-CB 4.33Å; L126-V363 HydrophobicContact CD2-CG2 4Å; L361-V363 HydrophobicContact CD2-CG1 4.15Å; V363-G367 WeakPolarHBondContact O-CA 3.44Å; V363-G367 PolarHBondContact O-N 3.43Å; V363-I400 HydrophobicContact CG2-CG2 4.4Å; V363-L403 HydrophobicContact CG1-CD2 3.47Å; V363-L403 VanDerWaalsContact CG1-CD2 3.47Å |
| 364 | N | 96.5 | Very high | 98.2 | Very high | 4 Ų | 4 | 17.6 Ų | 17.6 | 2% | 0.021 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -71 | -28.5 | 177.9 | -171.5 | 34 | 0 | 0 | 0 | 113.6 | P50 L126 K362 I366 R391 | P50-N364 HydrophobicContact CG-CB 4.31Å; P50-N364 PolarHBondContact O-ND2 2.9Å; L126-N364 HydrophobicContact CD2-CB 4Å; K362-N364 PolarHBondContact O-N 3.23Å; K362-N364 VanDerWaalsContact O-N 3.1Å; N364-I366 VanDerWaalsContact C-N 3.31Å; N364-I366 PolarHBondContact O-N 2.71Å; N364-R391 HydrophobicContact CB-CG 4.44Å; N364-R391 PolarHBondContact ND2-NH1 3.16Å |
| 365 | Q | 96.5 | Very high | 98.2 | Very high | 2 Ų | 2 | 10.3 Ų | 10.3 | 1% | 0.009 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -69.7 | -31.3 | -179.7 | -66.4 | -174 | -37.3 | 0 | 0 | 112.5 | E59 A60 D337 C341 T342 K362 | E59-Q365 VanDerWaalsContact CD-CG 3.49Å; E59-Q365 HydrophobicContact CG-CB 4.12Å; E59-Q365 HydrophobicContact CG-CG 3.8Å; E59-Q365 PolarHBondContact OE1-NE2 3.07Å; A60-Q365 VanDerWaalsContact CB-O 3.23Å; A60-Q365 WeakPolarHBondContact CB-O 3.42Å; A60-Q365 PolarHBondContact N-O 3.07Å; D337-Q365 PolarHBondContact OD1-NE2 2.85Å; D337-Q365 PolarHBondContact OD1-OE1 3.29Å; C341-Q365 VanDerWaalsContact C-OE1 3.26Å; C341-Q365 WeakPolarHBondContact O-CB 3.47Å; T342-Q365 PolarHBondContact OG1-OE1 2.9Å; K362-Q365 HydrophobicContact CB-CB 4.28Å; K362-Q365 HydrophobicContact CB-CG 3.64Å; K362-Q365 HydrophobicContact CD-CG 4.14Å; K362-Q365 WeakPolarHBondContact O-CB 3.33Å; K362-Q365 PolarHBondContact O-N 3.47Å |
| 366 | I | 97.2 | Very high | 98.1 | Very high | 8 Ų | 8 | 10.5 Ų | 10.5 | 4% | 0.041 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -101.4 | -37 | 179.2 | -165.2 | 56.6 | 0 | 0 | 0 | 112.7 | K117 T342 N343 N364 E371 S372 | K117-I366 WeakPolarHBondContact CD-O 3.47Å; K117-I366 WeakPolarHBondContact CE-O 3.38Å; K117-I366 PolarHBondContact NZ-O 3.07Å; T342-I366 HydrophobicContact CG2-CB 4.01Å; T342-I366 HydrophobicContact CG2-CG2 3.76Å; N343-I366 HydrophobicContact CB-CD1 4.39Å; N364-I366 VanDerWaalsContact C-N 3.31Å; N364-I366 PolarHBondContact O-N 2.71Å; I366-E371 HydrophobicContact CD1-CB 4.34Å; I366-E371 HydrophobicContact CG1-CB 3.42Å; I366-E371 VanDerWaalsContact CG1-CB 3.42Å; I366-E371 HydrophobicContact CG1-CG 4.29Å; I366-E371 HydrophobicContact CG2-CB 4.31Å; I366-S372 VanDerWaalsContact CG2-OG 3.24Å; I366-S372 WeakPolarHBondContact CG2-OG 3.35Å |
| 367 | G | 97.2 | Very high | 98 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 7% | 0.068 | C | C | . | . | trans | 98 | 3.8 | 168.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | I125 L126 V363 | I125-G367 CarbonylContact C-O 3.58Å; I125-G367 WeakPolarHBondContact CG2-O 3.08Å; L126-G367 WeakPolarHBondContact CA-O 3.44Å; L126-G367 WeakPolarHBondContact CB-O 3.21Å; L126-G367 PolarHBondContact N-O 2.92Å; L126-G367 VanDerWaalsContact N-O 3.12Å; V363-G367 WeakPolarHBondContact O-CA 3.44Å; V363-G367 PolarHBondContact O-N 3.43Å | ||
| 368 | S | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 7% | 0.073 | C | C | . | . | S | Bend | trans | -151.6 | 157.2 | 171.1 | 72 | 0 | 0 | 0 | 0 | 112.9 | E371 S372 | S368-E371 WeakPolarHBondContact CB-OE2 3.43Å; S368-E371 WeakPolarHBondContact OG-CB 3.27Å; S368-E371 VanDerWaalsContact OG-CG 3.24Å; S368-E371 WeakPolarHBondContact OG-CG 3.26Å; S368-E371 PolarHBondContact OG-N 2.97Å; S368-E371 VanDerWaalsContact OG-N 3.16Å; S368-E371 PolarHBondContact OG-OE2 3.43Å; S368-S372 WeakPolarHBondContact O-CB 3.29Å; S368-S372 PolarHBondContact O-N 3Å; S368-S372 PolarHBondContact O-OG 3.32Å |
| 369 | V | 98.8 | Very high | 97.9 | Very high | 1 Ų | 1 | 15.5 Ų | 15.5 | 1% | 0.006 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -64.6 | -43.9 | 176.2 | 176.7 | 0 | 0 | 0 | 0 | 110.6 | Q101 S129 L130 C133 S372 I373 F399 | Q101-V369 HydrophobicContact CG-CB 4.49Å; Q101-V369 HydrophobicContact CG-CG1 4.46Å; S129-V369 PolarHBondContact OG-N 3.39Å; L130-V369 HydrophobicContact CD2-CG2 3.77Å; C133-V369 HydrophobicContact CB-CG2 4.18Å; V369-S372 WeakPolarHBondContact O-CB 3.29Å; V369-S372 PolarHBondContact O-N 3.32Å; V369-I373 HydrophobicContact CG1-CD1 3.88Å; V369-I373 HydrophobicContact CG1-CG1 4.46Å; V369-I373 WeakPolarHBondContact O-CG1 3.39Å; V369-I373 PolarHBondContact O-N 2.99Å; V369-F399 HydrophobicContact CG1-CZ 4.33Å; V369-F399 HydrophobicContact CG2-CE1 4.21Å; V369-F399 HydrophobicContact CG2-CE2 4.37Å; V369-F399 HydrophobicContact CG2-CZ 3.61Å |
| 370 | T | 98.6 | Very high | 97.8 | Very high | 16 Ų | 16 | 19.4 Ų | 19.4 | 10% | 0.098 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -61 | -48.3 | 179.6 | -61.9 | 0 | 0 | 0 | 0 | 112 | A102 D105 S372 I373 Q374 | A102-T370 WeakPolarHBondContact CA-OG1 3.41Å; A102-T370 HydrophobicContact CB-CG2 4.04Å; D105-T370 WeakPolarHBondContact OD2-CB 3.1Å; D105-T370 PolarHBondContact OD2-N 2.98Å; D105-T370 PolarHBondContact OD2-OG1 3.23Å; T370-S372 VanDerWaalsContact C-N 3.3Å; T370-S372 PolarHBondContact O-N 2.83Å; T370-I373 PolarHBondContact O-N 3.14Å; T370-Q374 VanDerWaalsContact O-CG 3.31Å; T370-Q374 WeakPolarHBondContact O-CG 3.33Å; T370-Q374 PolarHBondContact O-N 3.21Å |
| 371 | E | 98.2 | Very high | 97.6 | Very high | 30 Ų | 30 | 26.5 Ų | 26.5 | 14% | 0.14 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -67.6 | -32.8 | 178.2 | -66.3 | 167.3 | 108.1 | 0 | 0 | 111.7 | L109 K117 I366 S368 Q374 A375 | L109-E371 HydrophobicContact CD1-CG 4.16Å; K117-E371 WeakPolarHBondContact CE-OE2 3.47Å; K117-E371 VanDerWaalsContact NZ-CD 3.26Å; K117-E371 IonicContact NZ-OE1 3.73Å; K117-E371 PolarHBondContact NZ-OE1 2.79Å; K117-E371 IonicContact NZ-OE2 2.77Å; K117-E371 PolarHBondContact NZ-OE2 2.92Å; I366-E371 HydrophobicContact CD1-CB 4.34Å; I366-E371 HydrophobicContact CG1-CB 3.42Å; I366-E371 VanDerWaalsContact CG1-CB 3.42Å; I366-E371 HydrophobicContact CG1-CG 4.29Å; I366-E371 HydrophobicContact CG2-CB 4.31Å; S368-E371 WeakPolarHBondContact CB-OE2 3.43Å; S368-E371 WeakPolarHBondContact OG-CB 3.27Å; S368-E371 VanDerWaalsContact OG-CG 3.24Å; S368-E371 WeakPolarHBondContact OG-CG 3.26Å; S368-E371 PolarHBondContact OG-N 2.97Å; S368-E371 VanDerWaalsContact OG-N 3.16Å; S368-E371 PolarHBondContact OG-OE2 3.43Å; E371-Q374 PolarHBondContact O-N 2.98Å; E371-A375 WeakPolarHBondContact O-CB 3.39Å; E371-A375 PolarHBondContact O-N 2.96Å |
| 372 | S | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -63.2 | -43.5 | 173.8 | -60.4 | 0 | 0 | 0 | 0 | 112 | I366 S368 V369 T370 Q374 A375 C376 | I366-S372 VanDerWaalsContact CG2-OG 3.24Å; I366-S372 WeakPolarHBondContact CG2-OG 3.35Å; S368-S372 WeakPolarHBondContact O-CB 3.29Å; S368-S372 PolarHBondContact O-N 3Å; S368-S372 PolarHBondContact O-OG 3.32Å; V369-S372 WeakPolarHBondContact O-CB 3.29Å; V369-S372 PolarHBondContact O-N 3.32Å; T370-S372 VanDerWaalsContact C-N 3.3Å; T370-S372 PolarHBondContact O-N 2.83Å; S372-Q374 VanDerWaalsContact C-N 3.35Å; S372-A375 PolarHBondContact O-N 2.9Å; S372-C376 PolarHBondContact O-N 3.3Å |
| 373 | I | 98.5 | Very high | 97.4 | Very high | 9 Ų | 9 | 30.2 Ų | 30.2 | 5% | 0.046 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.2 | -45.2 | 174.3 | -69.4 | 164.5 | 0 | 0 | 0 | 110.1 | L151 A152 V369 T370 A375 C376 Q377 L407 | L151-I373 HydrophobicContact CB-CD1 3.81Å; L151-I373 HydrophobicContact CD1-CD1 4.46Å; A152-I373 HydrophobicContact CB-CG2 3.93Å; V369-I373 HydrophobicContact CG1-CD1 3.88Å; V369-I373 HydrophobicContact CG1-CG1 4.46Å; V369-I373 WeakPolarHBondContact O-CG1 3.39Å; V369-I373 PolarHBondContact O-N 2.99Å; T370-I373 PolarHBondContact O-N 3.14Å; I373-A375 PolarHBondContact O-N 3.08Å; I373-C376 WeakPolarHBondContact O-CB 3.23Å; I373-C376 PolarHBondContact O-N 3.48Å; I373-Q377 HydrophobicContact CG2-CG 4.31Å; I373-Q377 WeakPolarHBondContact O-CB 3.4Å; I373-Q377 WeakPolarHBondContact O-CG 3.37Å; I373-Q377 PolarHBondContact O-N 2.65Å; I373-L407 HydrophobicContact CG1-CD2 3.96Å |
| 374 | Q | 98 | Very high | 97.4 | Very high | 94 Ų | 94 | 31 Ų | 31 | 44% | 0.439 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -61.8 | -42.5 | 178.5 | -70.6 | 169.5 | -0.5 | 0 | 0 | 112.1 | T370 E371 S372 Q377 K378 | T370-Q374 VanDerWaalsContact O-CG 3.31Å; T370-Q374 WeakPolarHBondContact O-CG 3.33Å; T370-Q374 PolarHBondContact O-N 3.21Å; E371-Q374 PolarHBondContact O-N 2.98Å; S372-Q374 VanDerWaalsContact C-N 3.35Å; Q374-Q377 PolarHBondContact O-N 2.76Å; Q374-K378 WeakPolarHBondContact O-CB 3.37Å; Q374-K378 PolarHBondContact O-N 3Å |
| 375 | A | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60.6 | -47 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | T342 P344 I347 L359 E371 S372 I373 Q377 K378 A379 | T342-A375 HydrophobicContact CG2-CB 3.84Å; T342-A375 WeakPolarHBondContact O-CB 3.4Å; P344-A375 HydrophobicContact CG-CB 4.4Å; I347-A375 HydrophobicContact CD1-CB 3.72Å; L359-A375 HydrophobicContact CD2-CB 4.17Å; E371-A375 WeakPolarHBondContact O-CB 3.39Å; E371-A375 PolarHBondContact O-N 2.96Å; S372-A375 PolarHBondContact O-N 2.9Å; I373-A375 PolarHBondContact O-N 3.08Å; A375-Q377 PolarHBondContact O-N 3.36Å; A375-K378 PolarHBondContact O-N 3.41Å; A375-A379 PolarHBondContact O-N 3.33Å |
| 376 | C | 98 | Very high | 97.5 | Very high | 3 Ų | 3 | 31 Ų | 31 | 2% | 0.02 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -57.8 | -49.4 | 174.5 | 177.9 | 0 | 0 | 0 | 0 | 111.8 | L361 S372 I373 K378 A379 R380 L407 | L361-C376 HydrophobicContact CD1-CB 3.69Å; S372-C376 PolarHBondContact O-N 3.3Å; I373-C376 WeakPolarHBondContact O-CB 3.23Å; I373-C376 PolarHBondContact O-N 3.48Å; C376-K378 VanDerWaalsContact C-N 3.32Å; C376-K378 PolarHBondContact O-N 2.94Å; C376-A379 PolarHBondContact O-N 3.32Å; C376-R380 WeakPolarHBondContact O-CG 3.45Å; C376-R380 PolarHBondContact O-N 2.93Å; C376-L407 HydrophobicContact CB-CD1 4.02Å |
| 377 | Q | 96.3 | Very high | 97.6 | Very high | 72 Ų | 72 | 30.6 Ų | 30.6 | 34% | 0.336 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -61.5 | -41.6 | -179.9 | -74 | 173.3 | -16.6 | 0 | 0 | 111.4 | A152 I373 Q374 A375 R380 Q381 | A152-Q377 PolarHBondContact O-NE2 3.06Å; I373-Q377 HydrophobicContact CG2-CG 4.31Å; I373-Q377 WeakPolarHBondContact O-CB 3.4Å; I373-Q377 WeakPolarHBondContact O-CG 3.37Å; I373-Q377 PolarHBondContact O-N 2.65Å; Q374-Q377 PolarHBondContact O-N 2.76Å; A375-Q377 PolarHBondContact O-N 3.36Å; Q377-R380 PolarHBondContact O-N 2.86Å; Q377-Q381 WeakPolarHBondContact O-CB 3.5Å; Q377-Q381 WeakPolarHBondContact O-CG 3.12Å; Q377-Q381 PolarHBondContact O-N 3.16Å |
| 378 | K | 97.3 | Very high | 97.7 | Very high | 61 Ų | 61 | 30.6 Ų | 30.6 | 27% | 0.265 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -61.3 | -45.3 | 177.8 | -173.8 | 65.4 | 175.8 | -178.6 | 0 | 112.5 | I347 I351 Q374 A375 C376 S382 | I347-K378 HydrophobicContact CG2-CB 4.44Å; I347-K378 HydrophobicContact CG2-CG 3.89Å; I351-K378 HydrophobicContact CD1-CG 4.42Å; Q374-K378 WeakPolarHBondContact O-CB 3.37Å; Q374-K378 PolarHBondContact O-N 3Å; A375-K378 PolarHBondContact O-N 3.41Å; C376-K378 VanDerWaalsContact C-N 3.32Å; C376-K378 PolarHBondContact O-N 2.94Å; K378-S382 PolarHBondContact O-N 3.27Å; K378-S382 PolarHBondContact O-OG 3.45Å |
| 379 | A | 97.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61.7 | -50.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | L359 A375 C376 Q381 S382 G383 W384 V386 | L359-A379 HydrophobicContact CB-CB 3.9Å; L359-A379 HydrophobicContact CD2-CB 3.98Å; A375-A379 PolarHBondContact O-N 3.33Å; C376-A379 PolarHBondContact O-N 3.32Å; A379-Q381 PolarHBondContact O-N 2.8Å; A379-S382 CarbonylContact O-C 3.52Å; A379-S382 WeakPolarHBondContact O-CA 3.43Å; A379-S382 WeakPolarHBondContact O-CB 3.34Å; A379-S382 PolarHBondContact O-N 2.91Å; A379-G383 PolarHBondContact O-N 2.85Å; A379-W384 HydrophobicContact CB-CB 4.09Å; A379-W384 HydrophobicContact CB-CE3 4.21Å; A379-W384 WeakPolarHBondContact O-CB 3.38Å; A379-W384 PolarHBondContact O-N 3.07Å; A379-W384 VanDerWaalsContact O-N 3.07Å; A379-V386 HydrophobicContact CB-CG2 3.83Å |
| 380 | R | 95.4 | Very high | 97.6 | Very high | 83 Ų | 83 | 30.9 Ų | 30.9 | 31% | 0.313 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -62.7 | -38.7 | -179.6 | -69.9 | -173.9 | 73.5 | 150.2 | 10.6 | 113.3 | C376 Q377 S382 G383 V386 L407 A408 | C376-R380 WeakPolarHBondContact O-CG 3.45Å; C376-R380 PolarHBondContact O-N 2.93Å; Q377-R380 PolarHBondContact O-N 2.86Å; R380-S382 PolarHBondContact O-N 3.43Å; R380-G383 PolarHBondContact O-N 2.95Å; R380-V386 HydrophobicContact CG-CG2 4.03Å; R380-L407 PolarHBondContact NH1-O 3.42Å; R380-A408 PolarHBondContact NH1-O 2.7Å |
| 381 | Q | 95.3 | Very high | 97.6 | Very high | 149 Ų | 149 | 30.4 Ų | 30.4 | 70% | 0.696 | 16% | 0.158 | S | C | * | . | H | α-helix | trans | -59.7 | -24.6 | 174.2 | -76.5 | 167.3 | 11.7 | 0 | 0 | 112.5 | Q377 A379 | Q377-Q381 WeakPolarHBondContact O-CB 3.5Å; Q377-Q381 WeakPolarHBondContact O-CG 3.12Å; Q377-Q381 PolarHBondContact O-N 3.16Å; A379-Q381 PolarHBondContact O-N 2.8Å |
| 382 | S | 96.2 | Very high | 97.4 | Very high | 44 Ų | 44 | 29.1 Ų | 29.1 | 31% | 0.308 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | 10.8 | 178.3 | -48.8 | 0 | 0 | 0 | 0 | 112.7 | I351 K378 A379 R380 W384 | I351-S382 WeakPolarHBondContact CD1-OG 3.23Å; K378-S382 PolarHBondContact O-N 3.27Å; K378-S382 PolarHBondContact O-OG 3.45Å; A379-S382 CarbonylContact O-C 3.52Å; A379-S382 WeakPolarHBondContact O-CA 3.43Å; A379-S382 WeakPolarHBondContact O-CB 3.34Å; A379-S382 PolarHBondContact O-N 2.91Å; R380-S382 PolarHBondContact O-N 3.43Å; S382-W384 VanDerWaalsContact C-N 3.29Å; S382-W384 PolarHBondContact O-N 3.22Å |
| 383 | G | 95.8 | Very high | 97.4 | Very high | 53 Ų | 53 | 29.1 Ų | 29.1 | 55% | 0.546 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.6 | 14.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | A379 R380 | A379-G383 PolarHBondContact O-N 2.85Å; R380-G383 PolarHBondContact O-N 2.95Å |
| 384 | W | 97.6 | Very high | 97.3 | Very high | 21 Ų | 21 | 28.9 Ų | 28.9 | 8% | 0.08 | 15% | 0.151 | C | C | . | . | trans | -82.8 | 148.7 | 179.4 | -67.8 | 8.6 | 0 | 0 | 0 | 112.2 | T340 I347 A350 I351 C356 N357 A379 S382 | T340-W384 HydrophobicContact CG2-CZ3 4.45Å; I347-W384 HydrophobicContact CG2-CZ3 4.19Å; A350-W384 HydrophobicContact CB-CH2 3.63Å; A350-W384 HydrophobicContact CB-CZ2 4.49Å; A350-W384 HydrophobicContact CB-CZ3 4.49Å; I351-W384 HydrophobicContact CB-CZ2 4.17Å; I351-W384 HydrophobicContact CG1-CD2 4.37Å; I351-W384 HydrophobicContact CG1-CH2 3.78Å; I351-W384 HydrophobicContact CG1-CZ2 3.44Å; I351-W384 VanDerWaalsContact CG1-CZ2 3.44Å; I351-W384 HydrophobicContact CG1-CZ3 4.37Å; C356-W384 VanDerWaalsContact O-CE2 3.28Å; C356-W384 WeakPolarHBondContact O-CZ2 3.26Å; C356-W384 PolarHBondContact O-NE1 2.87Å; C356-W384 WeakPolarHBondContact SG-CH2 3.42Å; C356-W384 WeakPolarHBondContact SG-CZ3 3.42Å; N357-W384 VanDerWaalsContact O-CA 3.25Å; N357-W384 WeakPolarHBondContact O-CA 3.45Å; N357-W384 WeakPolarHBondContact O-CB 3.24Å; A379-W384 HydrophobicContact CB-CB 4.09Å; A379-W384 HydrophobicContact CB-CE3 4.21Å; A379-W384 WeakPolarHBondContact O-CB 3.38Å; A379-W384 PolarHBondContact O-N 3.07Å; A379-W384 VanDerWaalsContact O-N 3.07Å; S382-W384 VanDerWaalsContact C-N 3.29Å; S382-W384 PolarHBondContact O-N 3.22Å | ||
| 385 | G | 98.1 | Very high | 97.3 | Very high | 4 Ų | 4 | 24.7 Ų | 24.7 | 4% | 0.041 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 162.1 | 161.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | N357 C358 L359 R450 | N357-G385 PolarHBondContact O-N 2.91Å; N357-G385 VanDerWaalsContact O-N 3.08Å; C358-G385 VanDerWaalsContact CA-O 3.27Å; C358-G385 WeakPolarHBondContact CA-O 3.23Å; C358-G385 VanDerWaalsContact SG-C 3.55Å; C358-G385 PolarHBondContact SG-O 3.14Å; L359-G385 PolarHBondContact N-O 3.3Å; G385-R450 WeakPolarHBondContact CA-O 3.37Å |
| 386 | V | 98.5 | Very high | 97.3 | Very high | 2 Ų | 2 | 30.7 Ų | 30.7 | 1% | 0.012 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 126.6 | 172 | -177.8 | 0 | 0 | 0 | 0 | 108.3 | L359 L361 A379 R380 T409 | L359-V386 HydrophobicContact CB-CG2 4.37Å; L359-V386 HydrophobicContact CD2-CG1 4.36Å; L359-V386 HydrophobicContact CG-CG1 4.49Å; L359-V386 CarbonylContact O-C 3.54Å; L359-V386 WeakPolarHBondContact O-CA 3.38Å; L361-V386 HydrophobicContact CB-CG1 3.79Å; L361-V386 HydrophobicContact CD1-CG1 3.99Å; A379-V386 HydrophobicContact CB-CG2 3.83Å; R380-V386 HydrophobicContact CG-CG2 4.03Å; V386-T409 HydrophobicContact CB-CG2 3.84Å; V386-T409 HydrophobicContact CG1-CG2 3.81Å; V386-T409 WeakPolarHBondContact O-CB 3.49Å; V386-T409 PolarHBondContact O-OG1 3.17Å |
| 387 | M | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 112.1 | 174.2 | 178.3 | -176.4 | -64.3 | 0 | 0 | 108.6 | A163 M185 L359 L360 L361 Q411 K413 | A163-M387 HydrophobicContact CB-CE 4.45Å; A163-M387 HydrophobicContact CB-SD 4.48Å; M185-M387 HydrophobicContact CE-CE 4.38Å; L359-M387 PolarHBondContact O-N 3.24Å; L360-M387 CarbonylContact C-O 3.6Å; L360-M387 WeakPolarHBondContact CA-O 3.39Å; L360-M387 HydrophobicContact CD1-CB 4.03Å; L360-M387 HydrophobicContact CD1-CG 3.89Å; L360-M387 HydrophobicContact CD1-SD 3.73Å; L361-M387 PolarHBondContact N-O 3.26Å; M387-Q411 HydrophobicContact CB-CB 3.99Å; M387-Q411 HydrophobicContact CE-CB 4.37Å; M387-Q411 HydrophobicContact CG-CB 3.98Å; M387-K413 HydrophobicContact CG-CB 4.14Å; M387-K413 HydrophobicContact SD-CB 3.74Å; M387-K413 HydrophobicContact SD-CD 4.24Å |
| 388 | V | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 133.2 | 174.9 | 173.4 | 0 | 0 | 0 | 0 | 108.5 | L361 I400 L403 V404 T409 Q411 I412 K413 | L361-V388 HydrophobicContact CD2-CG2 4.45Å; V388-I400 HydrophobicContact CG1-CB 3.86Å; V388-I400 HydrophobicContact CG1-CG2 4.39Å; V388-L403 HydrophobicContact CG1-CD2 4.16Å; V388-V404 HydrophobicContact CB-CB 3.87Å; V388-V404 HydrophobicContact CB-CG2 3.99Å; V388-V404 HydrophobicContact CG1-CB 4.25Å; V388-V404 HydrophobicContact CG2-CB 3.88Å; V388-V404 HydrophobicContact CG2-CG2 3.98Å; V388-T409 HydrophobicContact CG2-CG2 4.16Å; V388-Q411 PolarHBondContact N-O 2.66Å; V388-Q411 VanDerWaalsContact N-O 3.08Å; V388-I412 CarbonylContact O-C 3.56Å; V388-I412 VanDerWaalsContact O-CA 3.28Å; V388-I412 WeakPolarHBondContact O-CA 3.31Å; V388-K413 PolarHBondContact O-N 2.87Å |
| 389 | S | 98.6 | Very high | 97.5 | Very high | 4 Ų | 4 | 27 Ų | 27 | 3% | 0.028 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 147.1 | -171.9 | -168.8 | 0 | 0 | 0 | 0 | 113.7 | L361 K413 | L361-S389 PolarHBondContact O-N 2.84Å; S389-K413 VanDerWaalsContact CA-O 3.31Å; S389-K413 WeakPolarHBondContact CA-O 3.33Å |
| 390 | H | 97.7 | Very high | 97.5 | Very high | 3 Ų | 3 | 27.5 Ų | 27.5 | 1% | 0.014 | 15% | 0.148 | C | C | . | . | trans | -72.1 | -175.9 | 168 | 68.9 | 166.6 | 0 | 0 | 0 | 112.8 | N165 E224 K362 E394 I400 K413 T414 G415 R422 | N165-H390 PolarHBondContact ND2-NE2 2.87Å; N165-H390 VanDerWaalsContact ND2-NE2 3.16Å; E224-H390 IonicContact OE1-CE1 2.71Å; E224-H390 PolarHBondContact OE1-CE1 2.84Å; E224-H390 IonicContact OE1-NE2 2.83Å; E224-H390 PolarHBondContact OE1-NE2 3.5Å; K362-H390 VanDerWaalsContact CE-O 3.25Å; K362-H390 WeakPolarHBondContact CE-O 3.35Å; H390-E394 HydrophobicContact CB-CG 4.38Å; H390-E394 WeakPolarHBondContact CB-OE2 3.41Å; H390-I400 HydrophobicContact CB-CD1 3.93Å; H390-K413 PolarHBondContact CD2-O 2.92Å; H390-K413 PolarHBondContact N-O 2.94Å; H390-T414 WeakPolarHBondContact ND1-CA 3.29Å; H390-G415 VanDerWaalsContact CE1-CA 3.43Å; H390-G415 WeakPolarHBondContact CE1-CA 3.44Å; H390-G415 PolarHBondContact CE1-N 3.35Å; H390-G415 PolarHBondContact ND1-N 3.31Å; H390-R422 PolarHBondContact ND1-NH1 3.27Å | ||
| 391 | R | 97 | Very high | 97.7 | Very high | 6 Ų | 6 | 23.6 Ų | 23.6 | 2% | 0.023 | 13% | 0.134 | C | C | . | . | trans | -117.5 | 167.3 | 161.1 | -53.7 | -64.9 | -64.1 | -104.3 | 15.9 | 111.5 | P50 S51 G52 S54 E59 N364 E394 R422 | P50-R391 HydrophobicContact CB-CB 4.04Å; P50-R391 HydrophobicContact CB-CG 3.94Å; P50-R391 HydrophobicContact CG-CG 4.06Å; S51-R391 WeakPolarHBondContact O-CB 3.43Å; G52-R391 VanDerWaalsContact CA-NH2 3.35Å; S54-R391 PolarHBondContact O-NH2 2.96Å; E59-R391 IonicContact OE1-CZ 2.73Å; E59-R391 IonicContact OE1-NH1 3.65Å; E59-R391 IonicContact OE1-NH2 3.58Å; E59-R391 PolarHBondContact OE1-NH2 3Å; E59-R391 IonicContact OE2-CZ 3.2Å; E59-R391 IonicContact OE2-NH1 3.59Å; E59-R391 PolarHBondContact OE2-NH1 3.17Å; E59-R391 IonicContact OE2-NH2 2.79Å; E59-R391 PolarHBondContact OE2-NH2 3.34Å; N364-R391 HydrophobicContact CB-CG 4.44Å; N364-R391 PolarHBondContact ND2-NH1 3.16Å; R391-E394 PolarHBondContact N-OE2 3.25Å; R391-R422 PolarHBondContact O-NH1 3.04Å; R391-R422 PolarHBondContact O-NH2 3.33Å | ||
| 392 | S | 95.7 | Very high | 97.9 | Very high | 3 Ų | 3 | 16.8 Ų | 16.8 | 2% | 0.021 | 10% | 0.102 | C | C | . | . | S | Bend | trans | -66.4 | -36 | 176 | 52.6 | 0 | 0 | 0 | 0 | 113.2 | S28 A53 R422 | S28-S392 PolarHBondContact OG-O 3.46Å; A53-S392 WeakPolarHBondContact CB-OG 3.29Å; A53-S392 PolarHBondContact N-OG 3.37Å; S392-R422 PolarHBondContact O-NH2 3.2Å |
| 393 | G | 96.8 | Very high | 98 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 9% | 0.087 | C | C | . | . | B | Isolated β-bridge | trans | -90.7 | 94.1 | 165.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | D27 P50 S51 | D27-G393 VanDerWaalsContact OD2-CA 3.31Å; D27-G393 WeakPolarHBondContact OD2-CA 3.43Å; P50-G393 CarbonylContact C-O 3.54Å; P50-G393 VanDerWaalsContact CA-O 3.27Å; P50-G393 WeakPolarHBondContact CA-O 3.48Å; P50-G393 WeakPolarHBondContact CB-O 3.26Å; S51-G393 PolarHBondContact N-O 3.4Å; S51-G393 CarbonylContact O-C 3.49Å; S51-G393 WeakPolarHBondContact O-CA 3.35Å; S51-G393 PolarHBondContact O-N 3.29Å |
| 394 | E | 97.5 | Very high | 98.2 | Very high | 5 Ų | 5 | 12.1 Ų | 12.1 | 2% | 0.023 | 6% | 0.061 | C | C | . | . | trans | -112.6 | 165.4 | -172.3 | -166.5 | 48.3 | -109.5 | 0 | 0 | 112 | D27 S28 P50 H390 R391 E421 R422 K425 | D27-E394 CarbonylContact C-O 3.53Å; D27-E394 WeakPolarHBondContact CA-O 2.98Å; S28-E394 WeakPolarHBondContact CB-O 3.47Å; S28-E394 PolarHBondContact N-O 3.05Å; S28-E394 PolarHBondContact OG-N 3.12Å; P50-E394 WeakPolarHBondContact CB-OE2 3.18Å; H390-E394 HydrophobicContact CB-CG 4.38Å; H390-E394 WeakPolarHBondContact CB-OE2 3.41Å; R391-E394 PolarHBondContact N-OE2 3.25Å; E394-E421 HydrophobicContact CB-CB 4.15Å; E394-E421 HydrophobicContact CG-CB 4.29Å; E394-R422 VanDerWaalsContact CG-NH1 3.34Å; E394-K425 VanDerWaalsContact CG-NZ 3.26Å; E394-K425 IonicContact OE1-NZ 2.91Å; E394-K425 PolarHBondContact OE1-NZ 3.07Å | ||
| 395 | T | 98.2 | Very high | 98.2 | Very high | 5 Ų | 5 | 11.1 Ų | 11.1 | 3% | 0.031 | 6% | 0.057 | C | C | . | . | trans | -116.2 | -180 | 176.6 | 71.8 | 0 | 0 | 0 | 0 | 110.1 | T33 A48 D397 E421 K425 | T33-T395 HydrophobicContact CG2-CG2 3.95Å; A48-T395 HydrophobicContact CB-CG2 3.87Å; T395-D397 PolarHBondContact O-N 3.39Å; T395-D397 VanDerWaalsContact OG1-CB 3.25Å; T395-D397 WeakPolarHBondContact OG1-CB 3.38Å; T395-D397 PolarHBondContact OG1-N 3.44Å; T395-D397 VanDerWaalsContact OG1-N 3.13Å; T395-E421 WeakPolarHBondContact O-CA 3.34Å; T395-E421 WeakPolarHBondContact O-CB 3.33Å; T395-K425 PolarHBondContact O-NZ 2.95Å | ||
| 396 | E | 97.9 | Very high | 98.2 | Very high | 126 Ų | 126 | 11 Ų | 11 | 59% | 0.589 | 6% | 0.056 | S | C | * | . | S | Bend | trans | -79 | -0.8 | 170.3 | -63.7 | -171.4 | 155.5 | 0 | 0 | 113 | T398 S420 E421 A424 | E396-T398 WeakPolarHBondContact O-CG2 3.49Å; E396-T398 PolarHBondContact O-N 3.07Å; E396-S420 VanDerWaalsContact OE1-CB 3.24Å; E396-S420 WeakPolarHBondContact OE1-CB 3.28Å; E396-E421 HydrophobicContact CG-CG 4.47Å; E396-A424 HydrophobicContact CB-CB 4.48Å; E396-A424 WeakPolarHBondContact O-CB 3.22Å |
| 397 | D | 98.6 | Very high | 98.2 | Very high | 22 Ų | 22 | 11 Ų | 11 | 12% | 0.118 | 6% | 0.055 | C | C | . | . | trans | -61.9 | 124.6 | 177.8 | -162.8 | -43.8 | 0 | 0 | 0 | 110.9 | A47 A48 K134 T395 F399 K425 | A47-D397 WeakPolarHBondContact CA-OD2 3.41Å; A48-D397 HydrophobicContact CB-CB 4.23Å; A48-D397 PolarHBondContact N-OD2 3.02Å; K134-D397 IonicContact NZ-OD1 3.71Å; K134-D397 PolarHBondContact NZ-OD1 2.85Å; K134-D397 IonicContact NZ-OD2 3.36Å; K134-D397 PolarHBondContact NZ-OD2 3.19Å; T395-D397 PolarHBondContact O-N 3.39Å; T395-D397 VanDerWaalsContact OG1-CB 3.25Å; T395-D397 WeakPolarHBondContact OG1-CB 3.38Å; T395-D397 PolarHBondContact OG1-N 3.44Å; T395-D397 VanDerWaalsContact OG1-N 3.13Å; D397-F399 VanDerWaalsContact OD1-CB 3.32Å; D397-F399 WeakPolarHBondContact OD1-CB 3.48Å; D397-F399 PolarHBondContact OD1-N 3.49Å; D397-K425 WeakPolarHBondContact O-CE 3.34Å; D397-K425 PolarHBondContact O-NZ 3.4Å | ||
| 398 | T | 98.6 | Very high | 98.2 | Very high | 33 Ų | 33 | 11.2 Ų | 11.2 | 20% | 0.202 | 6% | 0.057 | C | C | . | . | trans | -92 | 6.9 | -174.7 | 63.5 | 0 | 0 | 0 | 0 | 113.5 | E396 I400 A401 A424 Q428 | E396-T398 WeakPolarHBondContact O-CG2 3.49Å; E396-T398 PolarHBondContact O-N 3.07Å; T398-I400 PolarHBondContact O-N 3.43Å; T398-A401 VanDerWaalsContact O-CB 3.24Å; T398-A401 WeakPolarHBondContact O-CB 3.28Å; T398-A401 PolarHBondContact O-N 3Å; T398-A424 HydrophobicContact CG2-CB 3.76Å; T398-A424 VanDerWaalsContact CG2-O 3.24Å; T398-A424 WeakPolarHBondContact CG2-O 3.43Å; T398-Q428 HydrophobicContact CG2-CB 3.98Å | ||
| 399 | F | 98.9 | Very high | 98.1 | Very high | 5 Ų | 5 | 11.3 Ų | 11.3 | 2% | 0.022 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -47.4 | -42.2 | -171.9 | -176.1 | -89.1 | 0 | 0 | 0 | 114.1 | L130 C133 L144 I148 V369 D397 A401 D402 L403 | L130-F399 HydrophobicContact CB-CD2 4.45Å; L130-F399 HydrophobicContact CD2-CD1 3.42Å; L130-F399 VanDerWaalsContact CD2-CD1 3.42Å; L130-F399 HydrophobicContact CD2-CD2 3.78Å; L130-F399 HydrophobicContact CD2-CE1 3.35Å; L130-F399 HydrophobicContact CD2-CE2 3.72Å; L130-F399 HydrophobicContact CD2-CG 3.64Å; L130-F399 HydrophobicContact CD2-CZ 3.52Å; C133-F399 HydrophobicContact CB-CE2 3.92Å; C133-F399 HydrophobicContact CB-CZ 4.33Å; L144-F399 HydrophobicContact CD1-CE2 4.42Å; L144-F399 HydrophobicContact CD2-CD2 3.95Å; L144-F399 HydrophobicContact CD2-CE2 4.3Å; I148-F399 HydrophobicContact CD1-CE1 4.47Å; I148-F399 HydrophobicContact CD1-CE2 4.18Å; I148-F399 HydrophobicContact CD1-CZ 3.93Å; V369-F399 HydrophobicContact CG1-CZ 4.33Å; V369-F399 HydrophobicContact CG2-CE1 4.21Å; V369-F399 HydrophobicContact CG2-CE2 4.37Å; V369-F399 HydrophobicContact CG2-CZ 3.61Å; D397-F399 VanDerWaalsContact OD1-CB 3.32Å; D397-F399 WeakPolarHBondContact OD1-CB 3.48Å; D397-F399 PolarHBondContact OD1-N 3.49Å; F399-A401 PolarHBondContact O-N 2.95Å; F399-D402 PolarHBondContact O-N 3.45Å; F399-D402 VanDerWaalsContact O-N 3.14Å; F399-L403 HydrophobicContact CD1-CB 4.22Å; F399-L403 HydrophobicContact CE1-CB 4.05Å; F399-L403 HydrophobicContact CE1-CD1 4Å; F399-L403 HydrophobicContact CE1-CD2 4.15Å; F399-L403 HydrophobicContact CE1-CG 4.3Å; F399-L403 WeakPolarHBondContact O-CB 3.45Å; F399-L403 PolarHBondContact O-N 3.12Å |
| 400 | I | 98.7 | Very high | 98.1 | Very high | 10 Ų | 10 | 11.1 Ų | 11.1 | 5% | 0.051 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -66.8 | -23.5 | -177.6 | 66.5 | 169.2 | 0 | 0 | 0 | 113.7 | V363 V388 H390 T398 L403 V404 I412 K425 | V363-I400 HydrophobicContact CG2-CG2 4.4Å; V388-I400 HydrophobicContact CG1-CB 3.86Å; V388-I400 HydrophobicContact CG1-CG2 4.39Å; H390-I400 HydrophobicContact CB-CD1 3.93Å; T398-I400 PolarHBondContact O-N 3.43Å; I400-L403 PolarHBondContact O-N 3.27Å; I400-V404 WeakPolarHBondContact O-CG1 3.43Å; I400-V404 PolarHBondContact O-N 2.94Å; I400-I412 HydrophobicContact CD1-CD1 4.5Å; I400-I412 HydrophobicContact CG1-CD1 4.43Å; I400-K425 HydrophobicContact CD1-CG 4.02Å; I400-K425 HydrophobicContact CG1-CG 3.62Å |
| 401 | A | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -68.2 | -39.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | T398 F399 V404 V405 K425 Q428 L429 | T398-A401 VanDerWaalsContact O-CB 3.24Å; T398-A401 WeakPolarHBondContact O-CB 3.28Å; T398-A401 PolarHBondContact O-N 3Å; F399-A401 PolarHBondContact O-N 2.95Å; A401-V404 VanDerWaalsContact O-CG1 3.27Å; A401-V404 WeakPolarHBondContact O-CG1 3.29Å; A401-V405 WeakPolarHBondContact O-CG2 3.48Å; A401-K425 HydrophobicContact CB-CB 4.22Å; A401-K425 WeakPolarHBondContact CB-O 3.45Å; A401-Q428 HydrophobicContact CB-CB 3.87Å; A401-Q428 HydrophobicContact CB-CG 3.78Å; A401-L429 HydrophobicContact CB-CD2 4.1Å; A401-L429 HydrophobicContact CB-CG 3.87Å; A401-L429 WeakPolarHBondContact O-CD2 3.22Å |
| 402 | D | 98.9 | Very high | 98.2 | Very high | 6 Ų | 6 | 10.7 Ų | 10.7 | 3% | 0.032 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -74.1 | -36.8 | 172.6 | -72.6 | -93.3 | 0 | 0 | 0 | 111.5 | L144 Y145 I148 F399 V405 G406 Q428 | L144-D402 HydrophobicContact CB-CB 4.08Å; L144-D402 HydrophobicContact CD2-CB 3.77Å; L144-D402 HydrophobicContact CG-CB 3.75Å; Y145-D402 WeakPolarHBondContact CB-O 3.45Å; Y145-D402 PolarHBondContact N-OD1 3.4Å; I148-D402 HydrophobicContact CD1-CB 4.19Å; F399-D402 PolarHBondContact O-N 3.45Å; F399-D402 VanDerWaalsContact O-N 3.14Å; D402-V405 PolarHBondContact O-N 3.48Å; D402-G406 PolarHBondContact O-N 3.23Å; D402-Q428 PolarHBondContact OD2-NE2 3.37Å; D402-Q428 VanDerWaalsContact OD2-NE2 3.12Å |
| 403 | L | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -60 | -49.2 | 178.5 | -174.7 | 68 | 0 | 0 | 0 | 112.1 | I148 L361 V363 V388 F399 I400 V405 G406 L407 | I148-L403 HydrophobicContact CD1-CB 4.33Å; I148-L403 HydrophobicContact CD1-CD1 4.29Å; I148-L403 HydrophobicContact CG2-CD1 3.9Å; L361-L403 HydrophobicContact CD2-CD2 3.79Å; V363-L403 HydrophobicContact CG1-CD2 3.47Å; V363-L403 VanDerWaalsContact CG1-CD2 3.47Å; V388-L403 HydrophobicContact CG1-CD2 4.16Å; F399-L403 HydrophobicContact CD1-CB 4.22Å; F399-L403 HydrophobicContact CE1-CB 4.05Å; F399-L403 HydrophobicContact CE1-CD1 4Å; F399-L403 HydrophobicContact CE1-CD2 4.15Å; F399-L403 HydrophobicContact CE1-CG 4.3Å; F399-L403 WeakPolarHBondContact O-CB 3.45Å; F399-L403 PolarHBondContact O-N 3.12Å; I400-L403 PolarHBondContact O-N 3.27Å; L403-V405 VanDerWaalsContact C-N 3.3Å; L403-V405 PolarHBondContact O-N 3.23Å; L403-G406 PolarHBondContact O-N 3.43Å; L403-L407 HydrophobicContact CD1-CD1 3.7Å; L403-L407 HydrophobicContact CD1-CG 3.9Å; L403-L407 HydrophobicContact CD2-CD1 4.46Å; L403-L407 HydrophobicContact CG-CD1 3.79Å; L403-L407 HydrophobicContact CG-CG 4.22Å; L403-L407 VanDerWaalsContact O-CB 3.28Å; L403-L407 WeakPolarHBondContact O-CB 3.49Å; L403-L407 VanDerWaalsContact O-CG 3.3Å; L403-L407 WeakPolarHBondContact O-CG 3.47Å; L403-L407 PolarHBondContact O-N 2.75Å |
| 404 | V | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -62.2 | -38.3 | -177.8 | 67.8 | 0 | 0 | 0 | 0 | 112.3 | P160 V388 I400 A401 A408 T409 Q411 I412 L429 | P160-V404 HydrophobicContact CB-CG1 4.27Å; P160-V404 HydrophobicContact CB-CG2 3.62Å; P160-V404 HydrophobicContact CG-CG1 3.72Å; P160-V404 HydrophobicContact CG-CG2 4.03Å; V388-V404 HydrophobicContact CB-CB 3.87Å; V388-V404 HydrophobicContact CB-CG2 3.99Å; V388-V404 HydrophobicContact CG1-CB 4.25Å; V388-V404 HydrophobicContact CG2-CB 3.88Å; V388-V404 HydrophobicContact CG2-CG2 3.98Å; I400-V404 WeakPolarHBondContact O-CG1 3.43Å; I400-V404 PolarHBondContact O-N 2.94Å; A401-V404 VanDerWaalsContact O-CG1 3.27Å; A401-V404 WeakPolarHBondContact O-CG1 3.29Å; V404-A408 PolarHBondContact O-N 2.93Å; V404-A408 VanDerWaalsContact O-N 3.12Å; V404-T409 WeakPolarHBondContact CG2-OG1 3.31Å; V404-T409 PolarHBondContact O-N 2.91Å; V404-Q411 WeakPolarHBondContact CG2-O 3.48Å; V404-I412 HydrophobicContact CB-CB 4.45Å; V404-I412 HydrophobicContact CG1-CB 4.28Å; V404-I412 HydrophobicContact CG1-CD1 3.99Å; V404-I412 HydrophobicContact CG2-CB 4.08Å; V404-L429 HydrophobicContact CG1-CD2 3.99Å |
| 405 | V | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 10.4 Ų | 10.4 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -72.3 | -45.9 | 177.6 | 176.9 | 0 | 0 | 0 | 0 | 110.4 | Y145 V157 L159 A401 D402 L403 L407 A408 L429 I432 L436 | Y145-V405 HydrophobicContact CD2-CG1 3.64Å; Y145-V405 HydrophobicContact CE2-CG1 4.35Å; Y145-V405 HydrophobicContact CG-CB 4.48Å; Y145-V405 HydrophobicContact CG-CG1 4.02Å; V157-V405 HydrophobicContact CB-CG1 3.79Å; V157-V405 WeakPolarHBondContact CB-O 3.5Å; V157-V405 HydrophobicContact CG1-CG1 4.41Å; V157-V405 HydrophobicContact CG2-CG1 4.16Å; L159-V405 HydrophobicContact CD2-CG2 4.3Å; A401-V405 WeakPolarHBondContact O-CG2 3.48Å; D402-V405 PolarHBondContact O-N 3.48Å; L403-V405 VanDerWaalsContact C-N 3.3Å; L403-V405 PolarHBondContact O-N 3.23Å; V405-L407 PolarHBondContact O-N 2.87Å; V405-A408 WeakPolarHBondContact O-CA 3.44Å; V405-A408 PolarHBondContact O-N 2.91Å; V405-L429 HydrophobicContact CG2-CD2 3.61Å; V405-I432 HydrophobicContact CB-CG2 4.48Å; V405-I432 HydrophobicContact CG1-CG2 3.99Å; V405-I432 HydrophobicContact CG2-CD1 4.36Å; V405-I432 HydrophobicContact CG2-CG2 4.15Å; V405-L436 HydrophobicContact CG1-CD1 4.48Å |
| 406 | G | 98.4 | Very high | 98.4 | Very high | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -64.6 | -39.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y145 A149 V154 D402 L403 A408 | Y145-G406 WeakPolarHBondContact O-CA 3.45Å; A149-G406 VanDerWaalsContact CA-O 3.25Å; A149-G406 WeakPolarHBondContact CA-O 3.33Å; A149-G406 WeakPolarHBondContact CB-O 3.46Å; V154-G406 WeakPolarHBondContact CB-O 3.3Å; D402-G406 PolarHBondContact O-N 3.23Å; L403-G406 PolarHBondContact O-N 3.43Å; G406-A408 PolarHBondContact O-N 3.39Å |
| 407 | L | 98.3 | Very high | 98.4 | Very high | 2 Ų | 2 | 4.8 Ų | 4.8 | 1% | 0.01 | 3% | 0.028 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -11 | 173.2 | -67.5 | -175.6 | 0 | 0 | 0 | 113.3 | I148 A152 L361 I373 C376 R380 L403 V405 T409 | I148-L407 HydrophobicContact CG2-CD2 4.27Å; I148-L407 HydrophobicContact CG2-CG 4.26Å; A152-L407 HydrophobicContact CB-CD2 3.61Å; L361-L407 HydrophobicContact CD1-CD1 3.88Å; I373-L407 HydrophobicContact CG1-CD2 3.96Å; C376-L407 HydrophobicContact CB-CD1 4.02Å; R380-L407 PolarHBondContact NH1-O 3.42Å; L403-L407 HydrophobicContact CD1-CD1 3.7Å; L403-L407 HydrophobicContact CD1-CG 3.9Å; L403-L407 HydrophobicContact CD2-CD1 4.46Å; L403-L407 HydrophobicContact CG-CD1 3.79Å; L403-L407 HydrophobicContact CG-CG 4.22Å; L403-L407 VanDerWaalsContact O-CB 3.28Å; L403-L407 WeakPolarHBondContact O-CB 3.49Å; L403-L407 VanDerWaalsContact O-CG 3.3Å; L403-L407 WeakPolarHBondContact O-CG 3.47Å; L403-L407 PolarHBondContact O-N 2.75Å; V405-L407 PolarHBondContact O-N 2.87Å; L407-T409 VanDerWaalsContact C-N 3.28Å; L407-T409 HydrophobicContact CB-CG2 3.51Å; L407-T409 HydrophobicContact CD1-CG2 4.25Å; L407-T409 PolarHBondContact O-N 3.09Å |
| 408 | A | 97.7 | Very high | 98.4 | Very high | 5 Ų | 5 | 4.9 Ų | 4.9 | 4% | 0.041 | 3% | 0.03 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 46.2 | 49.6 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | V154 I158 R380 V404 V405 G406 P452 | V154-A408 HydrophobicContact CG1-CB 3.72Å; I158-A408 HydrophobicContact CG2-CB 3.93Å; R380-A408 PolarHBondContact NH1-O 2.7Å; V404-A408 PolarHBondContact O-N 2.93Å; V404-A408 VanDerWaalsContact O-N 3.12Å; V405-A408 WeakPolarHBondContact O-CA 3.44Å; V405-A408 PolarHBondContact O-N 2.91Å; G406-A408 PolarHBondContact O-N 3.39Å; A408-P452 VanDerWaalsContact O-CG 3.29Å; A408-P452 WeakPolarHBondContact O-CG 3.34Å |
| 409 | T | 98 | Very high | 98.3 | Very high | 3 Ų | 3 | 10.1 Ų | 10.1 | 2% | 0.018 | 5% | 0.046 | C | C | . | . | trans | -82.8 | -20.6 | -176 | 68.9 | 0 | 0 | 0 | 0 | 113 | V386 V388 V404 L407 Q411 | V386-T409 HydrophobicContact CB-CG2 3.84Å; V386-T409 HydrophobicContact CG1-CG2 3.81Å; V386-T409 WeakPolarHBondContact O-CB 3.49Å; V386-T409 PolarHBondContact O-OG1 3.17Å; V388-T409 HydrophobicContact CG2-CG2 4.16Å; V404-T409 WeakPolarHBondContact CG2-OG1 3.31Å; V404-T409 PolarHBondContact O-N 2.91Å; L407-T409 VanDerWaalsContact C-N 3.28Å; L407-T409 HydrophobicContact CB-CG2 3.51Å; L407-T409 HydrophobicContact CD1-CG2 4.25Å; L407-T409 PolarHBondContact O-N 3.09Å; T409-Q411 VanDerWaalsContact C-N 3.33Å; T409-Q411 PolarHBondContact O-N 2.93Å; T409-Q411 PolarHBondContact OG1-O 3.1Å | ||
| 410 | G | 98 | Very high | 98.2 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 7% | 0.067 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 84.3 | -3.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | P160 V161 A445 | P160-G410 CarbonylContact C-O 3.47Å; P160-G410 WeakPolarHBondContact CA-O 3.29Å; V161-G410 PolarHBondContact N-O 2.76Å; G410-A445 WeakPolarHBondContact O-CB 3.4Å |
| 411 | Q | 98.4 | Very high | 98.2 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 136 | -177.7 | -64.6 | 173.2 | 73.4 | 0 | 0 | 111.7 | V161 M387 V388 V404 T409 F449 | V161-Q411 WeakPolarHBondContact O-CA 3.42Å; M387-Q411 HydrophobicContact CB-CB 3.99Å; M387-Q411 HydrophobicContact CE-CB 4.37Å; M387-Q411 HydrophobicContact CG-CB 3.98Å; V388-Q411 PolarHBondContact N-O 2.66Å; V388-Q411 VanDerWaalsContact N-O 3.08Å; V404-Q411 WeakPolarHBondContact CG2-O 3.48Å; T409-Q411 VanDerWaalsContact C-N 3.33Å; T409-Q411 PolarHBondContact O-N 2.93Å; T409-Q411 PolarHBondContact OG1-O 3.1Å; Q411-F449 HydrophobicContact CG-CB 3.8Å; Q411-F449 HydrophobicContact CG-CD2 3.73Å; Q411-F449 HydrophobicContact CG-CG 4.28Å; Q411-F449 WeakPolarHBondContact CG-O 3.38Å; Q411-F449 PolarHBondContact NE2-O 2.76Å; Q411-F449 VanDerWaalsContact OE1-CD2 3.29Å |
| 412 | I | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 135.8 | 173.2 | -169.6 | 173.3 | 0 | 0 | 0 | 111.3 | P160 V161 P162 A163 V388 I400 V404 T414 L429 | P160-I412 HydrophobicContact CB-CB 4.11Å; P160-I412 HydrophobicContact CB-CG2 3.88Å; P160-I412 HydrophobicContact CG-CB 4.06Å; P160-I412 HydrophobicContact CG-CG2 3.55Å; V161-I412 PolarHBondContact O-N 3Å; P162-I412 CarbonylContact C-O 3.6Å; P162-I412 WeakPolarHBondContact CA-O 2.96Å; P162-I412 HydrophobicContact CB-CG2 4.33Å; A163-I412 PolarHBondContact N-O 2.79Å; V388-I412 CarbonylContact O-C 3.56Å; V388-I412 VanDerWaalsContact O-CA 3.28Å; V388-I412 WeakPolarHBondContact O-CA 3.31Å; I400-I412 HydrophobicContact CD1-CD1 4.5Å; I400-I412 HydrophobicContact CG1-CD1 4.43Å; V404-I412 HydrophobicContact CB-CB 4.45Å; V404-I412 HydrophobicContact CG1-CB 4.28Å; V404-I412 HydrophobicContact CG1-CD1 3.99Å; V404-I412 HydrophobicContact CG2-CB 4.08Å; I412-T414 HydrophobicContact CD1-CG2 4.14Å; I412-T414 HydrophobicContact CG1-CG2 4.34Å; I412-L429 HydrophobicContact CD1-CD1 4.07Å; I412-L429 HydrophobicContact CG2-CD1 3.95Å |
| 413 | K | 98.6 | Very high | 98.1 | Very high | 1 Ų | 1 | 17 Ų | 17 | 0% | 0.004 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 111.1 | 170.8 | 176.1 | 179.4 | 170.8 | 176.7 | 0 | 108.6 | A163 N165 E181 M183 D259 E312 L360 M387 V388 S389 H390 | A163-K413 HydrophobicContact CB-CB 4.31Å; N165-K413 WeakPolarHBondContact ND2-CE 3.24Å; E181-K413 IonicContact OE1-NZ 3.89Å; E181-K413 WeakPolarHBondContact OE2-CE 3.15Å; E181-K413 IonicContact OE2-NZ 2.85Å; E181-K413 PolarHBondContact OE2-NZ 3.08Å; M183-K413 HydrophobicContact CE-CD 4.49Å; M183-K413 HydrophobicContact SD-CD 3.9Å; M183-K413 HydrophobicContact SD-CG 4.12Å; D259-K413 IonicContact OD2-NZ 3.43Å; D259-K413 PolarHBondContact OD2-NZ 3.25Å; E312-K413 IonicContact OE1-NZ 3.52Å; E312-K413 PolarHBondContact OE1-NZ 3.04Å; E312-K413 IonicContact OE2-NZ 3.59Å; E312-K413 PolarHBondContact OE2-NZ 3.29Å; L360-K413 HydrophobicContact CD1-CD 4.25Å; M387-K413 HydrophobicContact CG-CB 4.14Å; M387-K413 HydrophobicContact SD-CB 3.74Å; M387-K413 HydrophobicContact SD-CD 4.24Å; V388-K413 PolarHBondContact O-N 2.87Å; S389-K413 VanDerWaalsContact CA-O 3.31Å; S389-K413 WeakPolarHBondContact CA-O 3.33Å; H390-K413 PolarHBondContact CD2-O 2.92Å; H390-K413 PolarHBondContact N-O 2.94Å |
| 414 | T | 97.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 9% | 0.094 | C | C | . | . | trans | -141.7 | 30.4 | -178.5 | -171.3 | 0 | 0 | 0 | 0 | 113.9 | H390 I412 R422 K425 Y426 | H390-T414 WeakPolarHBondContact ND1-CA 3.29Å; I412-T414 HydrophobicContact CD1-CG2 4.14Å; I412-T414 HydrophobicContact CG1-CG2 4.34Å; T414-R422 WeakPolarHBondContact O-CB 3.43Å; T414-R422 VanDerWaalsContact O-CD 3.25Å; T414-R422 WeakPolarHBondContact O-CD 3.49Å; T414-K425 HydrophobicContact CG2-CB 3.94Å; T414-Y426 HydrophobicContact CG2-CD1 3.72Å; T414-Y426 HydrophobicContact CG2-CD2 4.11Å; T414-Y426 HydrophobicContact CG2-CE1 3.24Å; T414-Y426 HydrophobicContact CG2-CE2 3.66Å; T414-Y426 HydrophobicContact CG2-CG 4.15Å; T414-Y426 WeakPolarHBondContact CG2-OH 3.31Å | ||
| 415 | G | 98 | Very high | 98.1 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 9% | 0.094 | C | C | . | . | trans | 93.2 | -168.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | F164 N165 H390 Y426 | F164-G415 WeakPolarHBondContact CA-O 3.49Å; N165-G415 PolarHBondContact N-O 3.17Å; N165-G415 VanDerWaalsContact N-O 3.16Å; H390-G415 VanDerWaalsContact CE1-CA 3.43Å; H390-G415 WeakPolarHBondContact CE1-CA 3.44Å; H390-G415 PolarHBondContact CE1-N 3.35Å; H390-G415 PolarHBondContact ND1-N 3.31Å; G415-Y426 PolarHBondContact O-OH 3.34Å | ||
| 416 | A | 98.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 9% | 0.094 | C | C | . | . | S | Bend | trans | -65.2 | 160.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | N165 Y203 E224 G225 C418 | N165-A416 WeakPolarHBondContact O-CA 3.41Å; N165-A416 WeakPolarHBondContact O-CB 3.31Å; N165-A416 PolarHBondContact O-N 3.25Å; Y203-A416 HydrophobicContact CD2-CB 4.39Å; Y203-A416 HydrophobicContact CE2-CB 3.9Å; E224-A416 PolarHBondContact O-N 3.42Å; G225-A416 VanDerWaalsContact O-CB 3.27Å; G225-A416 WeakPolarHBondContact O-CB 3.29Å; A416-C418 PolarHBondContact O-N 3.13Å |
| 417 | P | 98.1 | Very high | 98.1 | Very high | 14 Ų | 14 | 21 Ų | 21 | 9% | 0.091 | 11% | 0.11 | C | C | . | . | S | Bend | trans | -73.3 | 47.9 | 169.8 | 33.2 | -36.2 | 0 | 0 | 0 | 111.8 | F164 M196 Y203 | F164-P417 HydrophobicContact CD1-CB 4.16Å; F164-P417 HydrophobicContact CD1-CG 4.3Å; F164-P417 HydrophobicContact CE1-CB 4.13Å; M196-P417 HydrophobicContact CE-CB 4.4Å; Y203-P417 HydrophobicContact CD1-CG 4.01Å; Y203-P417 HydrophobicContact CD2-CG 4.48Å; Y203-P417 HydrophobicContact CG-CG 3.83Å |
| 418 | C | 97.5 | Very high | 98.2 | Very high | 23 Ų | 23 | 22.6 Ų | 22.6 | 16% | 0.155 | 12% | 0.118 | C | C | . | . | trans | -154.3 | 168 | 175.9 | 76.6 | 0 | 0 | 0 | 0 | 110.6 | Y203 G225 A416 R422 | Y203-C418 HydrophobicContact CE1-CB 4.19Å; Y203-C418 PolarHBondContact OH-SG 3.31Å; G225-C418 PolarHBondContact O-SG 2.99Å; A416-C418 PolarHBondContact O-N 3.13Å; C418-R422 WeakPolarHBondContact O-CB 3.41Å; C418-R422 WeakPolarHBondContact O-CG 3.45Å | ||
| 419 | R | 97 | Very high | 98.2 | Very high | 143 Ų | 143 | 22.3 Ų | 22.3 | 54% | 0.54 | 12% | 0.116 | S | C | . | . | S | Bend | trans | 70.8 | 132.5 | -172.7 | -47.4 | -60.7 | -177.3 | 175.9 | 2.1 | 113 | E421 R422 L423 | R419-E421 VanDerWaalsContact C-N 3.29Å; R419-E421 WeakPolarHBondContact CB-OE2 3.36Å; R419-E421 PolarHBondContact O-N 3.31Å; R419-R422 HydrophobicContact CB-CG 4.13Å; R419-R422 WeakPolarHBondContact O-CB 3.5Å; R419-R422 PolarHBondContact O-N 3.41Å; R419-R422 VanDerWaalsContact O-N 3.11Å; R419-L423 WeakPolarHBondContact O-CB 3.46Å; R419-L423 WeakPolarHBondContact O-CG 3.01Å; R419-L423 PolarHBondContact O-N 2.88Å |
| 420 | S | 97.2 | Very high | 98.3 | Very high | 65 Ų | 65 | 24.7 Ų | 24.7 | 46% | 0.455 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -63.5 | -34.5 | -167.4 | -62.1 | 0 | 0 | 0 | 0 | 112.9 | E396 R422 L423 A424 | E396-S420 VanDerWaalsContact OE1-CB 3.24Å; E396-S420 WeakPolarHBondContact OE1-CB 3.28Å; S420-R422 PolarHBondContact O-N 3.29Å; S420-L423 PolarHBondContact O-N 3.4Å; S420-A424 WeakPolarHBondContact O-CB 3.37Å; S420-A424 PolarHBondContact O-N 2.98Å |
| 421 | E | 97.8 | Very high | 98.3 | Very high | 47 Ų | 47 | 31.3 Ų | 31.3 | 22% | 0.22 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -66.1 | -26.8 | -179.8 | -49.8 | 91.7 | 154.1 | 0 | 0 | 111.7 | S28 E394 T395 E396 R419 K425 | S28-E421 WeakPolarHBondContact CA-OE1 3.21Å; S28-E421 WeakPolarHBondContact CB-OE1 3.27Å; E394-E421 HydrophobicContact CB-CB 4.15Å; E394-E421 HydrophobicContact CG-CB 4.29Å; T395-E421 WeakPolarHBondContact O-CA 3.34Å; T395-E421 WeakPolarHBondContact O-CB 3.33Å; E396-E421 HydrophobicContact CG-CG 4.47Å; R419-E421 VanDerWaalsContact C-N 3.29Å; R419-E421 WeakPolarHBondContact CB-OE2 3.36Å; R419-E421 PolarHBondContact O-N 3.31Å; E421-K425 WeakPolarHBondContact O-CD 3.42Å; E421-K425 WeakPolarHBondContact O-CE 3.38Å; E421-K425 PolarHBondContact O-NZ 2.77Å |
| 422 | R | 98.2 | Very high | 98.3 | Very high | 2 Ų | 2 | 31.4 Ų | 31.4 | 1% | 0.008 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -88.8 | -53.4 | 174.6 | -46.8 | -52.6 | 172.7 | -172.6 | 4.7 | 110.6 | D223 H390 R391 S392 E394 T414 C418 R419 S420 A424 K425 Y426 | D223-R422 PolarHBondContact O-NH2 3.45Å; H390-R422 PolarHBondContact ND1-NH1 3.27Å; R391-R422 PolarHBondContact O-NH1 3.04Å; R391-R422 PolarHBondContact O-NH2 3.33Å; S392-R422 PolarHBondContact O-NH2 3.2Å; E394-R422 VanDerWaalsContact CG-NH1 3.34Å; T414-R422 WeakPolarHBondContact O-CB 3.43Å; T414-R422 VanDerWaalsContact O-CD 3.25Å; T414-R422 WeakPolarHBondContact O-CD 3.49Å; C418-R422 WeakPolarHBondContact O-CB 3.41Å; C418-R422 WeakPolarHBondContact O-CG 3.45Å; R419-R422 HydrophobicContact CB-CG 4.13Å; R419-R422 WeakPolarHBondContact O-CB 3.5Å; R419-R422 PolarHBondContact O-N 3.41Å; R419-R422 VanDerWaalsContact O-N 3.11Å; S420-R422 PolarHBondContact O-N 3.29Å; R422-A424 PolarHBondContact O-N 3.23Å; R422-K425 PolarHBondContact O-N 2.62Å; R422-K425 VanDerWaalsContact O-N 3.09Å; R422-Y426 PolarHBondContact O-N 3.11Å |
| 423 | L | 98.4 | Very high | 98.3 | Very high | 51 Ų | 51 | 31.7 Ų | 31.7 | 27% | 0.267 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -60 | -31.3 | -178.3 | -75.7 | 174.3 | 0 | 0 | 0 | 112.7 | R419 S420 K425 Y426 N427 | R419-L423 WeakPolarHBondContact O-CB 3.46Å; R419-L423 WeakPolarHBondContact O-CG 3.01Å; R419-L423 PolarHBondContact O-N 2.88Å; S420-L423 PolarHBondContact O-N 3.4Å; L423-K425 PolarHBondContact O-N 2.6Å; L423-Y426 PolarHBondContact O-N 3.1Å; L423-N427 VanDerWaalsContact O-CB 3.26Å; L423-N427 WeakPolarHBondContact O-CB 3.48Å; L423-N427 VanDerWaalsContact O-CG 3.25Å; L423-N427 PolarHBondContact O-N 2.91Å; L423-N427 PolarHBondContact O-ND2 2.96Å |
| 424 | A | 98.6 | Very high | 98.3 | Very high | 19 Ų | 19 | 36.9 Ų | 36.9 | 16% | 0.157 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -56 | -41.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | E396 T398 S420 R422 Q428 | E396-A424 HydrophobicContact CB-CB 4.48Å; E396-A424 WeakPolarHBondContact O-CB 3.22Å; T398-A424 HydrophobicContact CG2-CB 3.76Å; T398-A424 VanDerWaalsContact CG2-O 3.24Å; T398-A424 WeakPolarHBondContact CG2-O 3.43Å; S420-A424 WeakPolarHBondContact O-CB 3.37Å; S420-A424 PolarHBondContact O-N 2.98Å; R422-A424 PolarHBondContact O-N 3.23Å; A424-Q428 WeakPolarHBondContact O-CB 3.48Å; A424-Q428 PolarHBondContact O-N 3.39Å |
| 425 | K | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -68.7 | -47.4 | 176.9 | -73 | 69.2 | 158.3 | 165.6 | 0 | 111.5 | E394 T395 D397 I400 A401 T414 E421 R422 L423 N427 Q428 L429 | E394-K425 VanDerWaalsContact CG-NZ 3.26Å; E394-K425 IonicContact OE1-NZ 2.91Å; E394-K425 PolarHBondContact OE1-NZ 3.07Å; T395-K425 PolarHBondContact O-NZ 2.95Å; D397-K425 WeakPolarHBondContact O-CE 3.34Å; D397-K425 PolarHBondContact O-NZ 3.4Å; I400-K425 HydrophobicContact CD1-CG 4.02Å; I400-K425 HydrophobicContact CG1-CG 3.62Å; A401-K425 HydrophobicContact CB-CB 4.22Å; A401-K425 WeakPolarHBondContact CB-O 3.45Å; T414-K425 HydrophobicContact CG2-CB 3.94Å; E421-K425 WeakPolarHBondContact O-CD 3.42Å; E421-K425 WeakPolarHBondContact O-CE 3.38Å; E421-K425 PolarHBondContact O-NZ 2.77Å; R422-K425 PolarHBondContact O-N 2.62Å; R422-K425 VanDerWaalsContact O-N 3.09Å; L423-K425 PolarHBondContact O-N 2.6Å; K425-N427 PolarHBondContact O-N 3.34Å; K425-Q428 WeakPolarHBondContact O-CB 3.45Å; K425-Q428 PolarHBondContact O-N 3.44Å; K425-L429 PolarHBondContact O-N 3Å |
| 426 | Y | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.4 | -43.2 | 178.2 | -69.3 | -48.2 | 0 | 0 | 0 | 112.5 | P162 F164 F192 M196 T414 G415 R422 L423 Q428 L429 L430 | P162-Y426 HydrophobicContact CB-CD1 4.46Å; P162-Y426 HydrophobicContact CB-CE1 3.66Å; F164-Y426 HydrophobicContact CD1-CE1 4.14Å; F164-Y426 AromaticContact CD1-CE2 3.89Å; F164-Y426 HydrophobicContact CD1-CE2 3.89Å; F164-Y426 AromaticContact CD1-CZ 3.48Å; F164-Y426 VanDerWaalsContact CD1-CZ 3.48Å; F164-Y426 VanDerWaalsContact CD1-OH 3.23Å; F164-Y426 WeakPolarHBondContact CD1-OH 3.48Å; F164-Y426 HydrophobicContact CE1-CD1 4.22Å; F164-Y426 HydrophobicContact CE1-CD2 4.36Å; F164-Y426 AromaticContact CE1-CE1 3.64Å; F164-Y426 HydrophobicContact CE1-CE1 3.64Å; F164-Y426 AromaticContact CE1-CE2 3.8Å; F164-Y426 HydrophobicContact CE1-CE2 3.8Å; F164-Y426 AromaticContact CE1-CZ 3.4Å; F164-Y426 VanDerWaalsContact CE1-CZ 3.4Å; F164-Y426 HydrophobicContact CZ-CE1 4.46Å; F192-Y426 HydrophobicContact CZ-CD1 4.06Å; M196-Y426 HydrophobicContact CE-CD1 4.35Å; M196-Y426 HydrophobicContact CE-CD2 4.17Å; M196-Y426 HydrophobicContact CE-CG 3.84Å; M196-Y426 HydrophobicContact SD-CD1 3.55Å; M196-Y426 VanDerWaalsContact SD-CD1 3.55Å; M196-Y426 HydrophobicContact SD-CD2 4.38Å; M196-Y426 HydrophobicContact SD-CE1 4.21Å; M196-Y426 HydrophobicContact SD-CG 3.65Å; T414-Y426 HydrophobicContact CG2-CD1 3.72Å; T414-Y426 HydrophobicContact CG2-CD2 4.11Å; T414-Y426 HydrophobicContact CG2-CE1 3.24Å; T414-Y426 HydrophobicContact CG2-CE2 3.66Å; T414-Y426 HydrophobicContact CG2-CG 4.15Å; T414-Y426 WeakPolarHBondContact CG2-OH 3.31Å; G415-Y426 PolarHBondContact O-OH 3.34Å; R422-Y426 PolarHBondContact O-N 3.11Å; L423-Y426 PolarHBondContact O-N 3.1Å; Y426-Q428 VanDerWaalsContact C-N 3.31Å; Y426-Q428 PolarHBondContact O-N 2.97Å; Y426-L429 WeakPolarHBondContact O-CB 3.32Å; Y426-L429 PolarHBondContact O-N 2.89Å; Y426-L430 PolarHBondContact O-N 2.96Å |
| 427 | N | 98.8 | Very high | 98.3 | Very high | 66 Ų | 66 | 44.6 Ų | 44.6 | 35% | 0.353 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -66.8 | -34.2 | 176 | -71 | -29.9 | 0 | 0 | 0 | 111.9 | L423 K425 L429 L430 R431 | L423-N427 VanDerWaalsContact O-CB 3.26Å; L423-N427 WeakPolarHBondContact O-CB 3.48Å; L423-N427 VanDerWaalsContact O-CG 3.25Å; L423-N427 PolarHBondContact O-N 2.91Å; L423-N427 PolarHBondContact O-ND2 2.96Å; K425-N427 PolarHBondContact O-N 3.34Å; N427-L429 VanDerWaalsContact C-N 3.34Å; N427-L430 PolarHBondContact O-N 2.72Å; N427-R431 WeakPolarHBondContact O-CG 3.5Å; N427-R431 PolarHBondContact O-N 2.97Å; N427-R431 VanDerWaalsContact O-N 3.14Å |
| 428 | Q | 98.8 | Very high | 98.3 | Very high | 35 Ų | 35 | 51 Ų | 51 | 16% | 0.164 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.3 | -40.4 | 172 | 179.2 | 59.8 | 8.1 | 0 | 0 | 111.7 | T398 A401 D402 A424 K425 Y426 L430 R431 I432 | T398-Q428 HydrophobicContact CG2-CB 3.98Å; A401-Q428 HydrophobicContact CB-CB 3.87Å; A401-Q428 HydrophobicContact CB-CG 3.78Å; D402-Q428 PolarHBondContact OD2-NE2 3.37Å; D402-Q428 VanDerWaalsContact OD2-NE2 3.12Å; A424-Q428 WeakPolarHBondContact O-CB 3.48Å; A424-Q428 PolarHBondContact O-N 3.39Å; K425-Q428 WeakPolarHBondContact O-CB 3.45Å; K425-Q428 PolarHBondContact O-N 3.44Å; Y426-Q428 VanDerWaalsContact C-N 3.31Å; Y426-Q428 PolarHBondContact O-N 2.97Å; Q428-L430 VanDerWaalsContact C-N 3.32Å; Q428-L430 PolarHBondContact O-N 3.27Å; Q428-R431 WeakPolarHBondContact O-CB 3.36Å; Q428-R431 PolarHBondContact O-N 3.46Å; Q428-R431 VanDerWaalsContact O-N 3.17Å; Q428-I432 HydrophobicContact CG-CD1 4.03Å; Q428-I432 WeakPolarHBondContact O-CG1 3.39Å; Q428-I432 PolarHBondContact O-N 3.15Å |
| 429 | L | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.3 | -35.8 | 174.2 | -71 | 169.8 | 0 | 0 | 0 | 112.8 | P160 F192 A401 V404 V405 I412 K425 Y426 N427 R431 I432 E433 | P160-L429 HydrophobicContact CG-CD1 3.9Å; P160-L429 HydrophobicContact CG-CD2 3.99Å; F192-L429 HydrophobicContact CD1-CB 3.85Å; F192-L429 HydrophobicContact CE1-CB 3.26Å; F192-L429 HydrophobicContact CE1-CD1 4.28Å; F192-L429 HydrophobicContact CE1-CG 4.4Å; F192-L429 HydrophobicContact CE2-CB 4.04Å; F192-L429 HydrophobicContact CE2-CD1 3.6Å; F192-L429 HydrophobicContact CE2-CG 4.42Å; F192-L429 HydrophobicContact CG-CB 4.46Å; F192-L429 HydrophobicContact CZ-CB 3.38Å; F192-L429 HydrophobicContact CZ-CD1 3.47Å; F192-L429 VanDerWaalsContact CZ-CD1 3.47Å; F192-L429 HydrophobicContact CZ-CG 4.06Å; A401-L429 HydrophobicContact CB-CD2 4.1Å; A401-L429 HydrophobicContact CB-CG 3.87Å; A401-L429 WeakPolarHBondContact O-CD2 3.22Å; V404-L429 HydrophobicContact CG1-CD2 3.99Å; V405-L429 HydrophobicContact CG2-CD2 3.61Å; I412-L429 HydrophobicContact CD1-CD1 4.07Å; I412-L429 HydrophobicContact CG2-CD1 3.95Å; K425-L429 PolarHBondContact O-N 3Å; Y426-L429 WeakPolarHBondContact O-CB 3.32Å; Y426-L429 PolarHBondContact O-N 2.89Å; N427-L429 VanDerWaalsContact C-N 3.34Å; L429-R431 VanDerWaalsContact C-N 3.35Å; L429-I432 HydrophobicContact CD2-CD1 4.45Å; L429-I432 PolarHBondContact O-N 3.1Å; L429-E433 WeakPolarHBondContact O-CB 3.48Å; L429-E433 PolarHBondContact O-N 3.19Å |
| 430 | L | 98.9 | Very high | 98 | Very high | 53 Ų | 53 | 50 Ų | 50 | 28% | 0.277 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.5 | -40.2 | 172.2 | -68.5 | 171.4 | 0 | 0 | 0 | 112 | F192 K193 M196 Y426 N427 Q428 E433 E434 | F192-L430 HydrophobicContact CD1-CD2 3.88Å; F192-L430 HydrophobicContact CD1-CG 4.31Å; F192-L430 HydrophobicContact CE1-CD2 3.98Å; F192-L430 HydrophobicContact CE1-CG 4Å; K193-L430 HydrophobicContact CB-CD2 3.87Å; K193-L430 HydrophobicContact CG-CD2 4.46Å; M196-L430 HydrophobicContact CG-CD2 4.29Å; Y426-L430 PolarHBondContact O-N 2.96Å; N427-L430 PolarHBondContact O-N 2.72Å; Q428-L430 VanDerWaalsContact C-N 3.32Å; Q428-L430 PolarHBondContact O-N 3.27Å; L430-E433 PolarHBondContact O-N 3.4Å; L430-E434 PolarHBondContact O-N 2.73Å |
| 431 | R | 98.8 | Very high | 97.7 | Very high | 139 Ų | 139 | 52.3 Ų | 52.3 | 53% | 0.525 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -66.9 | -40.6 | 175.4 | -64.6 | 175.5 | -163.3 | 122 | 1.2 | 112 | N427 Q428 L429 E433 E434 E435 | N427-R431 WeakPolarHBondContact O-CG 3.5Å; N427-R431 PolarHBondContact O-N 2.97Å; N427-R431 VanDerWaalsContact O-N 3.14Å; Q428-R431 WeakPolarHBondContact O-CB 3.36Å; Q428-R431 PolarHBondContact O-N 3.46Å; Q428-R431 VanDerWaalsContact O-N 3.17Å; L429-R431 VanDerWaalsContact C-N 3.35Å; R431-E433 VanDerWaalsContact C-N 3.34Å; R431-E434 PolarHBondContact O-N 2.81Å; R431-E435 PolarHBondContact O-N 2.82Å |
| 432 | I | 98.8 | Very high | 97.6 | Very high | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.7 | -41 | 175.9 | -66.6 | 166.3 | 0 | 0 | 0 | 110.3 | Y145 L159 V405 Q428 L429 E435 L436 | Y145-I432 HydrophobicContact CD1-CD1 4.22Å; Y145-I432 HydrophobicContact CD1-CG1 3.96Å; Y145-I432 HydrophobicContact CD1-CG2 3.96Å; Y145-I432 HydrophobicContact CE1-CG1 4.33Å; Y145-I432 HydrophobicContact CE1-CG2 3.98Å; Y145-I432 HydrophobicContact CG-CG2 4.28Å; L159-I432 HydrophobicContact CD2-CG2 4.2Å; V405-I432 HydrophobicContact CB-CG2 4.48Å; V405-I432 HydrophobicContact CG1-CG2 3.99Å; V405-I432 HydrophobicContact CG2-CD1 4.36Å; V405-I432 HydrophobicContact CG2-CG2 4.15Å; Q428-I432 HydrophobicContact CG-CD1 4.03Å; Q428-I432 WeakPolarHBondContact O-CG1 3.39Å; Q428-I432 PolarHBondContact O-N 3.15Å; L429-I432 HydrophobicContact CD2-CD1 4.45Å; L429-I432 PolarHBondContact O-N 3.1Å; I432-E435 PolarHBondContact O-N 2.9Å; I432-L436 HydrophobicContact CG2-CD1 3.88Å; I432-L436 HydrophobicContact CG2-CG 4.3Å; I432-L436 WeakPolarHBondContact O-CB 3.45Å; I432-L436 VanDerWaalsContact O-CG 3.3Å; I432-L436 WeakPolarHBondContact O-CG 3.14Å; I432-L436 PolarHBondContact O-N 2.67Å |
| 433 | E | 98.7 | Very high | 97.5 | Very high | 7 Ų | 7 | 59 Ų | 59 | 3% | 0.033 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -58.2 | -49.7 | 173.9 | 178.7 | 172.8 | -128 | 0 | 0 | 111.2 | L159 S191 F192 K193 L429 L430 R431 E435 L436 E437 | L159-E433 HydrophobicContact CD1-CB 3.65Å; L159-E433 HydrophobicContact CD1-CG 3.6Å; L159-E433 HydrophobicContact CD2-CB 4.02Å; L159-E433 HydrophobicContact CG-CB 4.5Å; S191-E433 VanDerWaalsContact CB-OE1 3.27Å; S191-E433 WeakPolarHBondContact CB-OE1 3.45Å; F192-E433 WeakPolarHBondContact CA-OE1 3.49Å; F192-E433 WeakPolarHBondContact CB-OE1 3.45Å; F192-E433 PolarHBondContact N-OE1 3.13Å; K193-E433 WeakPolarHBondContact CA-OE2 3.48Å; K193-E433 WeakPolarHBondContact CB-OE2 3.4Å; K193-E433 PolarHBondContact N-OE1 3.25Å; K193-E433 PolarHBondContact N-OE2 2.97Å; L429-E433 WeakPolarHBondContact O-CB 3.48Å; L429-E433 PolarHBondContact O-N 3.19Å; L430-E433 PolarHBondContact O-N 3.4Å; R431-E433 VanDerWaalsContact C-N 3.34Å; E433-E435 VanDerWaalsContact C-N 3.32Å; E433-E435 PolarHBondContact O-N 3.49Å; E433-L436 PolarHBondContact O-N 2.97Å; E433-L436 VanDerWaalsContact O-N 3.14Å; E433-E437 HydrophobicContact CG-CG 4.34Å; E433-E437 WeakPolarHBondContact O-CB 3.46Å; E433-E437 WeakPolarHBondContact O-CG 3.17Å; E433-E437 PolarHBondContact O-N 3.32Å |
| 434 | E | 98.5 | Very high | 97.5 | Very high | 110 Ų | 110 | 57.9 Ų | 57.9 | 51% | 0.514 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -56.6 | -44.5 | 176.5 | -175 | -177.5 | 170.1 | 0 | 0 | 112 | L430 R431 L436 E437 Q438 | L430-E434 PolarHBondContact O-N 2.73Å; R431-E434 PolarHBondContact O-N 2.81Å; E434-L436 PolarHBondContact O-N 2.97Å; E434-E437 PolarHBondContact O-N 3Å; E434-Q438 WeakPolarHBondContact O-CG 3.29Å; E434-Q438 PolarHBondContact O-N 3.06Å; E434-Q438 VanDerWaalsContact O-N 3.1Å |
| 435 | E | 98.3 | Very high | 97.5 | Very high | 53 Ų | 53 | 57.1 Ų | 57.1 | 25% | 0.248 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.9 | -42.8 | 176.9 | -162 | -160.3 | 123 | 0 | 0 | 111.9 | S143 Y145 R431 I432 E433 Q439 | S143-E435 VanDerWaalsContact OG-CD 3.25Å; S143-E435 PolarHBondContact OG-OE1 3.48Å; S143-E435 VanDerWaalsContact OG-OE1 3.07Å; S143-E435 PolarHBondContact OG-OE2 2.99Å; Y145-E435 WeakPolarHBondContact CE1-OE2 3.48Å; Y145-E435 VanDerWaalsContact OH-CD 3.29Å; Y145-E435 PolarHBondContact OH-OE1 2.58Å; R431-E435 PolarHBondContact O-N 2.82Å; I432-E435 PolarHBondContact O-N 2.9Å; E433-E435 VanDerWaalsContact C-N 3.32Å; E433-E435 PolarHBondContact O-N 3.49Å; E435-Q439 VanDerWaalsContact O-CG 3.31Å; E435-Q439 WeakPolarHBondContact O-CG 3.44Å; E435-Q439 PolarHBondContact O-N 3.36Å; E435-Q439 PolarHBondContact OE1-NE2 2.69Å |
| 436 | L | 98 | Very high | 97.5 | Very high | 1 Ų | 1 | 57.4 Ų | 57.4 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -71.4 | -32.5 | 178.8 | -70.8 | 172.8 | 0 | 0 | 0 | 112.7 | Y145 V157 L159 V405 I432 E433 E434 Q439 G440 H441 A442 | Y145-L436 HydrophobicContact CE2-CD2 4.04Å; V157-L436 HydrophobicContact CG2-CD1 4.17Å; V157-L436 HydrophobicContact CG2-CD2 3.77Å; L159-L436 HydrophobicContact CD2-CD1 4.29Å; L159-L436 HydrophobicContact CG-CD1 4.18Å; V405-L436 HydrophobicContact CG1-CD1 4.48Å; I432-L436 HydrophobicContact CG2-CD1 3.88Å; I432-L436 HydrophobicContact CG2-CG 4.3Å; I432-L436 WeakPolarHBondContact O-CB 3.45Å; I432-L436 VanDerWaalsContact O-CG 3.3Å; I432-L436 WeakPolarHBondContact O-CG 3.14Å; I432-L436 PolarHBondContact O-N 2.67Å; E433-L436 PolarHBondContact O-N 2.97Å; E433-L436 VanDerWaalsContact O-N 3.14Å; E434-L436 PolarHBondContact O-N 2.97Å; L436-Q439 CarbonylContact O-C 3.53Å; L436-Q439 PolarHBondContact O-N 2.99Å; L436-G440 PolarHBondContact O-N 3.5Å; L436-G440 VanDerWaalsContact O-N 3.15Å; L436-H441 PolarHBondContact O-N 2.96Å; L436-A442 HydrophobicContact CB-CB 3.97Å; L436-A442 PolarHBondContact O-N 2.83Å |
| 437 | E | 97.8 | Very high | 97.4 | Very high | 108 Ų | 108 | 62.5 Ų | 62.5 | 51% | 0.505 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -64.2 | -45.3 | 174.4 | -77.5 | -178.9 | 163 | 0 | 0 | 110.6 | E433 E434 Q439 G440 A442 | E433-E437 HydrophobicContact CG-CG 4.34Å; E433-E437 WeakPolarHBondContact O-CB 3.46Å; E433-E437 WeakPolarHBondContact O-CG 3.17Å; E433-E437 PolarHBondContact O-N 3.32Å; E434-E437 PolarHBondContact O-N 3Å; E437-Q439 PolarHBondContact O-N 3.03Å; E437-G440 PolarHBondContact O-N 2.96Å; E437-A442 HydrophobicContact CB-CB 4.32Å; E437-A442 HydrophobicContact CG-CB 3.53Å |
| 438 | Q | 96.8 | Very high | 97.3 | Very high | 149 Ų | 149 | 64.5 Ų | 64.5 | 70% | 0.696 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -59.8 | -29.1 | 175 | -68.8 | 171.9 | 12.2 | 0 | 0 | 112.4 | E434 | E434-Q438 WeakPolarHBondContact O-CG 3.29Å; E434-Q438 PolarHBondContact O-N 3.06Å; E434-Q438 VanDerWaalsContact O-N 3.1Å |
| 439 | Q | 94.7 | Very high | 97.3 | Very high | 77 Ų | 77 | 63.4 Ų | 63.4 | 36% | 0.36 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -6.3 | 175.4 | -64.6 | 167.8 | 21.4 | 0 | 0 | 113.5 | E435 L436 E437 H441 | E435-Q439 VanDerWaalsContact O-CG 3.31Å; E435-Q439 WeakPolarHBondContact O-CG 3.44Å; E435-Q439 PolarHBondContact O-N 3.36Å; E435-Q439 PolarHBondContact OE1-NE2 2.69Å; L436-Q439 CarbonylContact O-C 3.53Å; L436-Q439 PolarHBondContact O-N 2.99Å; E437-Q439 PolarHBondContact O-N 3.03Å; Q439-H441 VanDerWaalsContact C-N 3.3Å; Q439-H441 HydrophobicContact CB-CB 4.45Å; Q439-H441 PolarHBondContact O-CD2 3.12Å; Q439-H441 PolarHBondContact O-N 2.88Å |
| 440 | G | 93.6 | Very high | 97.1 | Very high | 66 Ų | 66 | 67.1 Ų | 67.1 | 68% | 0.68 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.3 | 26.5 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | L436 E437 | L436-G440 PolarHBondContact O-N 3.5Å; L436-G440 VanDerWaalsContact O-N 3.15Å; E437-G440 PolarHBondContact O-N 2.96Å |
| 441 | H | 92.2 | Very high | 96.8 | Very high | 115 Ų | 115 | 67 Ų | 67 | 53% | 0.532 | 33% | 0.329 | S | S | . | . | trans | -126.4 | 3.5 | -172.7 | -66.1 | -34 | 0 | 0 | 0 | 114.2 | L436 Q439 K443 | L436-H441 PolarHBondContact O-N 2.96Å; Q439-H441 VanDerWaalsContact C-N 3.3Å; Q439-H441 HydrophobicContact CB-CB 4.45Å; Q439-H441 PolarHBondContact O-CD2 3.12Å; Q439-H441 PolarHBondContact O-N 2.88Å; H441-K443 PolarHBondContact O-N 2.97Å; H441-K443 VanDerWaalsContact O-N 3.16Å | ||
| 442 | A | 95.1 | Very high | 96.3 | Very high | 40 Ų | 40 | 61.4 Ų | 61.4 | 33% | 0.331 | 31% | 0.31 | S | S | . | . | trans | -61.5 | 117.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111 | L159 L436 E437 | L159-A442 HydrophobicContact CD1-CB 4.49Å; L436-A442 HydrophobicContact CB-CB 3.97Å; L436-A442 PolarHBondContact O-N 2.83Å; E437-A442 HydrophobicContact CB-CB 4.32Å; E437-A442 HydrophobicContact CG-CB 3.53Å | ||
| 443 | K | 97.2 | Very high | 95.2 | Very high | 148 Ų | 148 | 65.7 Ų | 65.7 | 64% | 0.643 | 34% | 0.34 | S | S | * | . | trans | -134.5 | 131.4 | 174.2 | -68.6 | -173.3 | 179.9 | -174.6 | 0 | 108.7 | I158 L159 H441 | I158-K443 HydrophobicContact CG1-CB 4.14Å; I158-K443 VanDerWaalsContact CG1-O 3.22Å; I158-K443 WeakPolarHBondContact CG1-O 3.39Å; L159-K443 WeakPolarHBondContact CB-O 3.48Å; L159-K443 PolarHBondContact N-O 3.32Å; H441-K443 PolarHBondContact O-N 2.97Å; H441-K443 VanDerWaalsContact O-N 3.16Å | ||
| 444 | Y | 98.2 | Very high | 93.2 | Very high | 29 Ų | 29 | 74.4 Ų | 74.4 | 11% | 0.114 | 38% | 0.381 | C | S | . | . | B | Isolated β-bridge | trans | -101.8 | 136.9 | 176 | 175.4 | -112.9 | 0 | 0 | 0 | 109.7 | L159 P160 V161 P186 A189 F192 A195 G446 | L159-Y444 HydrophobicContact CB-CD2 4.36Å; P160-Y444 WeakPolarHBondContact O-CE2 2.99Å; V161-Y444 HydrophobicContact CB-CE2 4.44Å; V161-Y444 HydrophobicContact CG2-CE1 4.09Å; V161-Y444 HydrophobicContact CG2-CE2 3.98Å; V161-Y444 WeakPolarHBondContact CG2-OH 3.39Å; P186-Y444 PolarHBondContact O-OH 2.91Å; A189-Y444 HydrophobicContact CB-CE1 3.9Å; A189-Y444 VanDerWaalsContact O-CD1 3.23Å; A189-Y444 WeakPolarHBondContact O-CD1 3.25Å; A189-Y444 VanDerWaalsContact O-CE1 3.29Å; A189-Y444 WeakPolarHBondContact O-CE1 3.48Å; F192-Y444 HydrophobicContact CB-CD2 4.07Å; F192-Y444 HydrophobicContact CB-CE2 4.43Å; F192-Y444 HydrophobicContact CD2-CE2 4.36Å; A195-Y444 HydrophobicContact CB-CE1 4.5Å; A195-Y444 HydrophobicContact CB-CE2 3.97Å; A195-Y444 WeakPolarHBondContact CB-OH 3.26Å; Y444-G446 VanDerWaalsContact C-N 3.31Å; Y444-G446 VanDerWaalsContact CE1-CA 3.45Å; Y444-G446 PolarHBondContact O-N 3.27Å |
| 445 | A | 98.2 | Very high | 93 | Very high | 2 Ų | 2 | 72.6 Ų | 72.6 | 2% | 0.017 | 37% | 0.374 | C | S | . | . | trans | -62.8 | -36.3 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | I158 L159 V161 G410 E447 H448 P452 | I158-A445 HydrophobicContact CD1-CB 3.92Å; I158-A445 HydrophobicContact CG1-CB 4.4Å; L159-A445 WeakPolarHBondContact O-CB 3.18Å; L159-A445 PolarHBondContact O-N 3.22Å; V161-A445 HydrophobicContact CG2-CB 4.15Å; G410-A445 WeakPolarHBondContact O-CB 3.4Å; A445-E447 PolarHBondContact O-N 2.89Å; A445-H448 CarbonylContact O-C 3.6Å; A445-H448 WeakPolarHBondContact O-CA 3.4Å; A445-H448 WeakPolarHBondContact O-CB 3.48Å; A445-H448 PolarHBondContact O-N 3.24Å; A445-P452 HydrophobicContact CB-CB 4.23Å | ||
| 446 | G | 98.1 | Very high | 92.7 | Very high | 7 Ų | 7 | 73.6 Ų | 73.6 | 7% | 0.072 | 38% | 0.381 | C | S | . | . | G | 310 helix | trans | 49.5 | -131.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | V161 V187 Y444 H448 F449 | V161-G446 WeakPolarHBondContact CG2-O 3.35Å; V187-G446 CarbonylContact O-C 3.57Å; V187-G446 WeakPolarHBondContact O-CA 3.38Å; Y444-G446 VanDerWaalsContact C-N 3.31Å; Y444-G446 VanDerWaalsContact CE1-CA 3.45Å; Y444-G446 PolarHBondContact O-N 3.27Å; G446-H448 PolarHBondContact O-N 3.36Å; G446-H448 VanDerWaalsContact O-N 3.14Å; G446-F449 WeakPolarHBondContact O-CB 3.38Å; G446-F449 PolarHBondContact O-N 3.08Å; G446-F449 VanDerWaalsContact O-N 3.08Å |
| 447 | E | 97.2 | Very high | 92.4 | Very high | 107 Ų | 107 | 77.7 Ų | 77.7 | 50% | 0.5 | 40% | 0.401 | S | S | . | . | G | 310 helix | trans | -61.3 | -19.5 | 177.5 | -63.9 | -68.9 | 175.4 | 0 | 0 | 113.3 | V187 A445 F449 | V187-E447 PolarHBondContact O-N 2.94Å; V187-E447 VanDerWaalsContact O-N 3.14Å; A445-E447 PolarHBondContact O-N 2.89Å; E447-F449 VanDerWaalsContact C-N 3.29Å; E447-F449 PolarHBondContact O-N 3.32Å |
| 448 | H | 97 | Very high | 92.1 | Very high | 107 Ų | 107 | 75.9 Ų | 75.9 | 50% | 0.495 | 40% | 0.395 | S | S | . | . | G | 310 helix | trans | -89.3 | 15.1 | 176.5 | -55.7 | -74.8 | 0 | 0 | 0 | 113.3 | A445 G446 R450 N451 P452 | A445-H448 CarbonylContact O-C 3.6Å; A445-H448 WeakPolarHBondContact O-CA 3.4Å; A445-H448 WeakPolarHBondContact O-CB 3.48Å; A445-H448 PolarHBondContact O-N 3.24Å; G446-H448 PolarHBondContact O-N 3.36Å; G446-H448 VanDerWaalsContact O-N 3.14Å; H448-R450 PolarHBondContact O-N 3Å; H448-N451 CarbonylContact O-C 3.59Å; H448-N451 PolarHBondContact O-N 2.68Å; H448-P452 WeakPolarHBondContact O-CA 3.37Å; H448-P452 VanDerWaalsContact O-N 3.07Å |
| 449 | F | 97.5 | Very high | 91.8 | Very high | 13 Ų | 13 | 71.3 Ų | 71.3 | 6% | 0.057 | 38% | 0.377 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -46.1 | -36.1 | -176.9 | 72.4 | -75.8 | 0 | 0 | 0 | 114.9 | V161 M185 V187 V309 Q411 G446 E447 | V161-F449 HydrophobicContact CB-CB 4.11Å; V161-F449 HydrophobicContact CG2-CB 3.72Å; M185-F449 HydrophobicContact CE-CD2 3.58Å; M185-F449 HydrophobicContact CE-CE2 3.82Å; M185-F449 HydrophobicContact CE-CG 4.38Å; V187-F449 HydrophobicContact CG1-CD1 3.96Å; V187-F449 HydrophobicContact CG1-CE1 4.25Å; V187-F449 HydrophobicContact CG1-CG 4.39Å; V309-F449 HydrophobicContact CB-CZ 4.16Å; V309-F449 HydrophobicContact CG2-CZ 4Å; Q411-F449 HydrophobicContact CG-CB 3.8Å; Q411-F449 HydrophobicContact CG-CD2 3.73Å; Q411-F449 HydrophobicContact CG-CG 4.28Å; Q411-F449 WeakPolarHBondContact CG-O 3.38Å; Q411-F449 PolarHBondContact NE2-O 2.76Å; Q411-F449 VanDerWaalsContact OE1-CD2 3.29Å; G446-F449 WeakPolarHBondContact O-CB 3.38Å; G446-F449 PolarHBondContact O-N 3.08Å; G446-F449 VanDerWaalsContact O-N 3.08Å; E447-F449 VanDerWaalsContact C-N 3.29Å; E447-F449 PolarHBondContact O-N 3.32Å |
| 450 | R | 96.3 | Very high | 91.6 | Very high | 78 Ų | 78 | 70.9 Ų | 70.9 | 29% | 0.294 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -36.1 | 178 | -63.5 | 175.7 | 67.1 | 177.6 | 6 | 113.5 | D331 N357 G385 H448 | D331-R450 PolarHBondContact O-NH1 2.94Å; N357-R450 PolarHBondContact ND2-NH2 3.31Å; N357-R450 VanDerWaalsContact ND2-NH2 3.19Å; G385-R450 WeakPolarHBondContact CA-O 3.37Å; H448-R450 PolarHBondContact O-N 3Å |
| 451 | N | 92.1 | Very high | 91.5 | Very high | 51 Ų | 51 | 71.3 Ų | 71.3 | 27% | 0.273 | 36% | 0.356 | S | S | . | . | trans | -144.4 | 71.8 | -173.1 | -73.3 | -56.8 | 0 | 0 | 0 | 110.1 | H448 S453 Q454 | H448-N451 CarbonylContact O-C 3.59Å; H448-N451 PolarHBondContact O-N 2.68Å; N451-S453 PolarHBondContact O-N 3.22Å; N451-Q454 HydrophobicContact CB-CG 4.12Å; N451-Q454 PolarHBondContact O-N 2.91Å; N451-Q454 VanDerWaalsContact O-N 3.15Å | ||
| 452 | P | 88.8 | Confident | 91.4 | Very high | 20 Ų | 20 | 67.9 Ų | 67.9 | 13% | 0.13 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -9.3 | -172.4 | 26 | -36.9 | 0 | 0 | 0 | 115 | I158 A408 A445 H448 Q454 | I158-P452 HydrophobicContact CD1-CB 3.42Å; I158-P452 VanDerWaalsContact CD1-CB 3.42Å; I158-P452 HydrophobicContact CG1-CB 4.47Å; I158-P452 HydrophobicContact CG2-CB 3.82Å; I158-P452 HydrophobicContact CG2-CG 4.08Å; A408-P452 VanDerWaalsContact O-CG 3.29Å; A408-P452 WeakPolarHBondContact O-CG 3.34Å; A445-P452 HydrophobicContact CB-CB 4.23Å; H448-P452 WeakPolarHBondContact O-CA 3.37Å; H448-P452 VanDerWaalsContact O-N 3.07Å; P452-Q454 VanDerWaalsContact C-N 3.29Å |
| 453 | S | 75.9 | Confident | 91.1 | Very high | 92 Ų | 92 | 70.3 Ų | 70.3 | 64% | 0.643 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | -6 | 176.2 | 52.5 | 0 | 0 | 0 | 0 | 114 | N451 | N451-S453 PolarHBondContact O-N 3.22Š|
| 454 | Q | 56.7 | Low | 90.5 | Very high | 189 Ų | 189 | 63.2 Ų | 63.2 | 88% | 0.883 | 32% | 0.316 | S | S | * | . | trans | -84.8 | 0 | -179.5 | -70.3 | -172.4 | -4.3 | 0 | 0 | 113.1 | N451 P452 | N451-Q454 HydrophobicContact CB-CG 4.12Å; N451-Q454 PolarHBondContact O-N 2.91Å; N451-Q454 VanDerWaalsContact O-N 3.15Å; P452-Q454 VanDerWaalsContact C-N 3.29Å |
Retrieved 454 of 454 residues in 753.6 ms
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