| 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 | 86.5 | Confident | 93 | Very high | 35 Ų | 35 | 50.3 Ų | 50.3 | 17% | 0.172 | 29% | 0.29 | C | S | . | . | 0 | 130.9 | 0 | 166 | -87.8 | -154.5 | 0 | 0 | 107.1 | C3 S11 S12 L19 V22 | M1-C3 HydrophobicContact CE-CB 3.33Å; M1-C3 HydrophobicContact SD-CB 3.64Å; M1-S11 CarbonylContact O-C 3.5Å; M1-S11 WeakPolarHBondContact O-CA 3.43Å; M1-S12 WeakPolarHBondContact CB-OG 3.2Å; M1-S12 PolarHBondContact N-O 3.38Å; M1-S12 PolarHBondContact N-OG 3.08Å; M1-S12 PolarHBondContact O-N 3.09Å; M1-S12 PolarHBondContact O-OG 2.76Å; M1-L19 VanDerWaalsContact CB-O 3.22Å; M1-L19 WeakPolarHBondContact CB-O 3.31Å; M1-L19 HydrophobicContact SD-CD2 4.43Å; M1-V22 HydrophobicContact CE-CG2 4.16Å | |||
| 2 | D | 93 | Very high | 93.2 | Very high | 69 Ų | 69 | 46.4 Ų | 46.4 | 37% | 0.369 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 127.9 | 178.6 | -61.3 | -18.8 | 0 | 0 | 0 | 108.3 | F10 S11 N13 | D2-F10 WeakPolarHBondContact CA-O 3.3Å; D2-S11 WeakPolarHBondContact OD1-CA 3.4Å; D2-S11 WeakPolarHBondContact OD1-CB 3.19Å; D2-S11 PolarHBondContact OD1-OG 3.33Å; D2-N13 WeakPolarHBondContact OD1-CB 3.31Å |
| 3 | C | 92.9 | Very high | 93.1 | Very high | 33 Ų | 33 | 52.3 Ų | 52.3 | 22% | 0.223 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 124.8 | -172.2 | 178.1 | 0 | 0 | 0 | 0 | 110.5 | M1 F10 | M1-C3 HydrophobicContact CE-CB 3.33Å; M1-C3 HydrophobicContact SD-CB 3.64Å; C3-F10 PolarHBondContact N-O 2.87Å; C3-F10 PolarHBondContact O-N 3.15Å |
| 4 | R | 94.4 | Very high | 93.2 | Very high | 185 Ų | 185 | 52.6 Ų | 52.6 | 70% | 0.698 | 29% | 0.294 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 128.9 | 177.6 | -175.9 | 176.7 | -73.2 | 177.1 | -2.7 | 110.2 | G6 I8 L9 | R4-G6 VanDerWaalsContact CG-O 3.25Å; R4-G6 WeakPolarHBondContact CG-O 3.46Å; R4-I8 CarbonylContact C-O 3.52Å; R4-I8 WeakPolarHBondContact CA-O 3.28Å; R4-L9 HydrophobicContact CB-CD1 3.97Å |
| 5 | I | 93.2 | Very high | 93.2 | Very high | 31 Ų | 31 | 49.9 Ų | 49.9 | 16% | 0.159 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 101.2 | 176.9 | -58.8 | -178.8 | 0 | 0 | 0 | 107.6 | S7 I8 F10 V22 K24 F76 | I5-S7 PolarHBondContact O-N 3.03Å; I5-I8 PolarHBondContact N-O 3.21Å; I5-I8 PolarHBondContact O-N 2.94Å; I5-F10 HydrophobicContact CD1-CD2 4.39Å; I5-F10 HydrophobicContact CD1-CE2 4.11Å; I5-F10 HydrophobicContact CG1-CE2 4.49Å; I5-V22 HydrophobicContact CD1-CB 3.87Å; I5-V22 HydrophobicContact CD1-CG1 3.57Å; I5-K24 HydrophobicContact CG2-CB 3.81Å; I5-K24 HydrophobicContact CG2-CD 4.34Å; I5-K24 HydrophobicContact CG2-CG 4.37Å; I5-F76 HydrophobicContact CB-CE1 4.4Å; I5-F76 HydrophobicContact CD1-CD1 4.35Å; I5-F76 HydrophobicContact CD1-CE1 4.33Å; I5-F76 HydrophobicContact CG2-CE1 4.03Å |
| 6 | G | 89.5 | Confident | 93.4 | Very high | 68 Ų | 68 | 47 Ų | 47 | 70% | 0.701 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.4 | -129.1 | -169 | 0 | 0 | 0 | 0 | 0 | 111.2 | R4 I8 | R4-G6 VanDerWaalsContact CG-O 3.25Å; R4-G6 WeakPolarHBondContact CG-O 3.46Å; G6-I8 VanDerWaalsContact C-N 3.31Å |
| 7 | S | 89.4 | Confident | 93.6 | Very high | 78 Ų | 78 | 44.7 Ų | 44.7 | 55% | 0.545 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -18 | 175.1 | 65.6 | 0 | 0 | 0 | 0 | 113.9 | I5 G103 | I5-S7 PolarHBondContact O-N 3.03Å; S7-G103 CarbonylContact C-O 3.57Å; S7-G103 WeakPolarHBondContact CB-O 3.33Å; S7-G103 PolarHBondContact OG-O 3.3Å |
| 8 | I | 94.6 | Very high | 93.7 | Very high | 3 Ų | 3 | 42.4 Ų | 42.4 | 2% | 0.015 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 127.4 | -170.5 | -66.6 | 168.7 | 0 | 0 | 0 | 110.1 | R4 I5 G6 F10 Y74 F76 M101 R102 | R4-I8 CarbonylContact C-O 3.52Å; R4-I8 WeakPolarHBondContact CA-O 3.28Å; I5-I8 PolarHBondContact N-O 3.21Å; I5-I8 PolarHBondContact O-N 2.94Å; G6-I8 VanDerWaalsContact C-N 3.31Å; I8-F10 HydrophobicContact CG2-CD2 4Å; I8-F10 HydrophobicContact CG2-CE2 3.56Å; I8-F10 HydrophobicContact CG2-CZ 4.05Å; I8-Y74 HydrophobicContact CD1-CD1 3.56Å; I8-Y74 HydrophobicContact CD1-CD2 3.88Å; I8-Y74 HydrophobicContact CD1-CE1 3.63Å; I8-Y74 HydrophobicContact CD1-CE2 3.93Å; I8-Y74 HydrophobicContact CD1-CG 3.68Å; I8-F76 HydrophobicContact CD1-CE2 4.26Å; I8-F76 HydrophobicContact CD1-CZ 3.82Å; I8-M101 HydrophobicContact CG2-CE 3.67Å; I8-R102 CarbonylContact C-O 3.59Å; I8-R102 WeakPolarHBondContact CA-O 3.34Å |
| 9 | L | 95.5 | Very high | 93.7 | Very high | 28 Ų | 28 | 40.2 Ų | 40.2 | 15% | 0.147 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 121.9 | 168.5 | -175.9 | 76.1 | 0 | 0 | 0 | 109.7 | R4 M101 R102 | R4-L9 HydrophobicContact CB-CD1 3.97Å; L9-M101 WeakPolarHBondContact O-CA 3.37Å; L9-R102 HydrophobicContact CB-CG 4.02Å; L9-R102 HydrophobicContact CD2-CG 4.43Å; L9-R102 VanDerWaalsContact CD2-NE 3.33Å; L9-R102 PolarHBondContact N-O 3.11Å; L9-R102 PolarHBondContact O-N 3.11Å |
| 10 | F | 97.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 138 | 163.4 | -64.8 | -97.5 | 0 | 0 | 0 | 109.3 | D2 C3 I5 I8 L19 V22 F76 M78 F99 S100 M101 | D2-F10 WeakPolarHBondContact CA-O 3.3Å; C3-F10 PolarHBondContact N-O 2.87Å; C3-F10 PolarHBondContact O-N 3.15Å; I5-F10 HydrophobicContact CD1-CD2 4.39Å; I5-F10 HydrophobicContact CD1-CE2 4.11Å; I5-F10 HydrophobicContact CG1-CE2 4.49Å; I8-F10 HydrophobicContact CG2-CD2 4Å; I8-F10 HydrophobicContact CG2-CE2 3.56Å; I8-F10 HydrophobicContact CG2-CZ 4.05Å; F10-L19 HydrophobicContact CB-CD2 4.23Å; F10-L19 HydrophobicContact CD1-CD2 4.26Å; F10-V22 HydrophobicContact CB-CG2 4.31Å; F10-V22 HydrophobicContact CD1-CG1 4.26Å; F10-V22 HydrophobicContact CD1-CG2 4Å; F10-V22 HydrophobicContact CD2-CB 4.43Å; F10-V22 HydrophobicContact CD2-CG1 4.06Å; F10-V22 HydrophobicContact CD2-CG2 4.41Å; F10-V22 HydrophobicContact CE1-CG1 3.95Å; F10-V22 HydrophobicContact CE1-CG2 4.43Å; F10-V22 HydrophobicContact CE2-CG1 3.76Å; F10-V22 HydrophobicContact CG-CB 4.49Å; F10-V22 HydrophobicContact CG-CG1 4.31Å; F10-V22 HydrophobicContact CG-CG2 3.98Å; F10-V22 HydrophobicContact CZ-CG1 3.7Å; F10-F76 HydrophobicContact CE1-CD2 4.46Å; F10-F76 HydrophobicContact CE2-CD1 4.14Å; F10-F76 AromaticContact CE2-CE1 3.84Å; F10-F76 HydrophobicContact CE2-CE1 3.84Å; F10-F76 HydrophobicContact CE2-CE2 4.32Å; F10-F76 AromaticContact CE2-CZ 3.93Å; F10-F76 HydrophobicContact CE2-CZ 3.93Å; F10-F76 AromaticContact CZ-CD1 3.84Å; F10-F76 HydrophobicContact CZ-CD1 3.84Å; F10-F76 AromaticContact CZ-CD2 3.68Å; F10-F76 HydrophobicContact CZ-CD2 3.68Å; F10-F76 AromaticContact CZ-CE1 3.82Å; F10-F76 HydrophobicContact CZ-CE1 3.82Å; F10-F76 AromaticContact CZ-CE2 3.63Å; F10-F76 HydrophobicContact CZ-CE2 3.63Å; F10-F76 AromaticContact CZ-CG 3.77Å; F10-F76 HydrophobicContact CZ-CG 3.77Å; F10-F76 AromaticContact CZ-CZ 3.71Å; F10-F76 HydrophobicContact CZ-CZ 3.71Å; F10-M78 HydrophobicContact CD1-CE 3.75Å; F10-M78 HydrophobicContact CE1-CE 3.64Å; F10-M78 HydrophobicContact CE1-SD 4.4Å; F10-F99 HydrophobicContact CD1-CD2 4.41Å; F10-S100 WeakPolarHBondContact CA-O 3.3Å; F10-M101 HydrophobicContact CD1-CE 4.32Å; F10-M101 HydrophobicContact CD1-CG 3.68Å; F10-M101 HydrophobicContact CD1-SD 4.09Å; F10-M101 HydrophobicContact CE1-CE 3.48Å; F10-M101 VanDerWaalsContact CE1-CE 3.48Å; F10-M101 HydrophobicContact CE1-CG 3.7Å; F10-M101 HydrophobicContact CE1-SD 3.46Å; F10-M101 WeakPolarHBondContact CE1-SD 3.34Å; F10-M101 HydrophobicContact CE2-CE 4.26Å; F10-M101 HydrophobicContact CG-CG 4.47Å; F10-M101 HydrophobicContact CZ-CE 3.43Å; F10-M101 VanDerWaalsContact CZ-CE 3.43Å; F10-M101 HydrophobicContact CZ-CG 4.48Å; F10-M101 HydrophobicContact CZ-SD 4.08Å |
| 11 | S | 96.4 | Very high | 93.7 | Very high | 23 Ų | 23 | 44.6 Ų | 44.6 | 16% | 0.161 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 138.3 | 169.9 | 180 | 0 | 0 | 0 | 0 | 111.9 | M1 D2 N13 F14 F99 S100 | M1-S11 CarbonylContact O-C 3.5Å; M1-S11 WeakPolarHBondContact O-CA 3.43Å; D2-S11 WeakPolarHBondContact OD1-CA 3.4Å; D2-S11 WeakPolarHBondContact OD1-CB 3.19Å; D2-S11 PolarHBondContact OD1-OG 3.33Å; S11-N13 PolarHBondContact OG-N 3.36Å; S11-F14 VanDerWaalsContact O-CE1 3.22Å; S11-F14 WeakPolarHBondContact O-CE1 3.38Å; S11-F99 CarbonylContact O-C 3.55Å; S11-F99 WeakPolarHBondContact O-CA 3.44Å; S11-S100 WeakPolarHBondContact CB-OG 3.21Å; S11-S100 PolarHBondContact N-O 3.15Å; S11-S100 PolarHBondContact O-N 2.8Å; S11-S100 PolarHBondContact O-OG 2.85Å; S11-S100 VanDerWaalsContact O-OG 3.04Å |
| 12 | S | 95.6 | Very high | 94.2 | Very high | 4 Ų | 4 | 43.5 Ų | 43.5 | 3% | 0.028 | 24% | 0.24 | C | C | . | . | trans | -134.9 | 21.6 | 168.2 | 66.9 | 0 | 0 | 0 | 0 | 111.4 | M1 F14 G17 L19 | M1-S12 WeakPolarHBondContact CB-OG 3.2Å; M1-S12 PolarHBondContact N-O 3.38Å; M1-S12 PolarHBondContact N-OG 3.08Å; M1-S12 PolarHBondContact O-N 3.09Å; M1-S12 PolarHBondContact O-OG 2.76Å; S12-F14 PolarHBondContact O-N 2.96Å; S12-F14 VanDerWaalsContact O-N 3.15Å; S12-G17 CarbonylContact O-C 3.52Å; S12-L19 WeakPolarHBondContact OG-CB 3.18Å; S12-L19 PolarHBondContact OG-N 3.19Å; S12-L19 PolarHBondContact OG-O 2.85Å | ||
| 13 | N | 92.4 | Very high | 94.3 | Very high | 123 Ų | 123 | 43.6 Ų | 43.6 | 66% | 0.658 | 24% | 0.239 | S | C | * | . | trans | -88.5 | 56.4 | -178.8 | -163 | 33.3 | 0 | 0 | 0 | 111.3 | D2 S11 | D2-N13 WeakPolarHBondContact OD1-CB 3.31Å; S11-N13 PolarHBondContact OG-N 3.36Å | ||
| 14 | F | 94.6 | Very high | 94.3 | Very high | 56 Ų | 56 | 47.5 Ų | 47.5 | 25% | 0.246 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -151.7 | 167.1 | -177.8 | 50.9 | -105 | 0 | 0 | 0 | 110.1 | S11 S12 S16 G17 Y98 Y177 | S11-F14 VanDerWaalsContact O-CE1 3.22Å; S11-F14 WeakPolarHBondContact O-CE1 3.38Å; S12-F14 PolarHBondContact O-N 2.96Å; S12-F14 VanDerWaalsContact O-N 3.15Å; F14-S16 PolarHBondContact O-N 3.06Å; F14-G17 PolarHBondContact O-N 3.08Å; F14-Y98 HydrophobicContact CD2-CD1 4.44Å; F14-Y98 HydrophobicContact CD2-CE1 4.24Å; F14-Y98 AromaticContact CE2-CD1 3.8Å; F14-Y98 HydrophobicContact CE2-CD1 3.8Å; F14-Y98 AromaticContact CE2-CD2 3.94Å; F14-Y98 HydrophobicContact CE2-CD2 3.94Å; F14-Y98 AromaticContact CE2-CE1 3.77Å; F14-Y98 HydrophobicContact CE2-CE1 3.77Å; F14-Y98 AromaticContact CE2-CE2 3.89Å; F14-Y98 HydrophobicContact CE2-CE2 3.89Å; F14-Y98 AromaticContact CE2-CG 3.89Å; F14-Y98 HydrophobicContact CE2-CG 3.89Å; F14-Y98 AromaticContact CE2-CZ 3.82Å; F14-Y98 HydrophobicContact CZ-CD2 4.31Å; F14-Y98 HydrophobicContact CZ-CE2 4.29Å; F14-Y177 HydrophobicContact CE1-CD1 4.49Å; F14-Y177 HydrophobicContact CE1-CE1 4.01Å; F14-Y177 HydrophobicContact CE2-CE1 4.48Å; F14-Y177 HydrophobicContact CZ-CD1 4.02Å; F14-Y177 AromaticContact CZ-CE1 3.93Å; F14-Y177 HydrophobicContact CZ-CE1 3.93Å |
| 15 | D | 93.1 | Very high | 94.2 | Very high | 12 Ų | 12 | 40.4 Ų | 40.4 | 6% | 0.064 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.3 | 128.5 | -179.6 | -174.4 | -26.8 | 0 | 0 | 0 | 111.7 | G17 T185 Y186 N187 F409 | D15-G17 PolarHBondContact O-N 3.18Å; D15-T185 HydrophobicContact CB-CG2 4.26Å; D15-T185 VanDerWaalsContact CG-CB 3.46Å; D15-T185 WeakPolarHBondContact OD1-CB 3.44Å; D15-Y186 PolarHBondContact OD1-N 3.49Å; D15-Y186 WeakPolarHBondContact OD2-CA 3.34Å; D15-Y186 WeakPolarHBondContact OD2-CB 3.18Å; D15-Y186 PolarHBondContact OD2-N 3.13Å; D15-N187 PolarHBondContact OD2-N 2.82Å; D15-F409 HydrophobicContact CB-CD2 4.39Å |
| 16 | S | 96.5 | Very high | 93.5 | Very high | 4 Ų | 4 | 45.8 Ų | 45.8 | 3% | 0.028 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 68.3 | 4.7 | -178.2 | -49.2 | 0 | 0 | 0 | 0 | 115.8 | F14 W96 Y98 V408 F409 G411 | F14-S16 PolarHBondContact O-N 3.06Å; S16-W96 PolarHBondContact O-NE1 3.31Å; S16-Y98 WeakPolarHBondContact O-CB 3.4Å; S16-V408 WeakPolarHBondContact CA-O 3.38Å; S16-V408 WeakPolarHBondContact CB-O 3.36Å; S16-V408 PolarHBondContact N-O 3.47Å; S16-V408 WeakPolarHBondContact OG-CG1 3.36Å; S16-V408 PolarHBondContact OG-O 3.2Å; S16-F409 PolarHBondContact N-O 3.42Å; S16-G411 WeakPolarHBondContact O-CA 3.4Å |
| 17 | G | 96.3 | Very high | 92.4 | Very high | 8 Ų | 8 | 47.3 Ų | 47.3 | 8% | 0.082 | 24% | 0.242 | C | C | . | . | trans | -84 | 130.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | S12 F14 D15 Y98 | S12-G17 CarbonylContact O-C 3.52Å; F14-G17 PolarHBondContact O-N 3.08Å; D15-G17 PolarHBondContact O-N 3.18Å; G17-Y98 WeakPolarHBondContact CA-O 3.32Å | ||
| 18 | N | 95.2 | Very high | 90.9 | Very high | 4 Ų | 4 | 49 Ų | 49 | 2% | 0.021 | 24% | 0.244 | C | C | . | . | trans | -140 | 15.2 | -167.5 | 74 | -14.5 | 0 | 0 | 0 | 116.5 | A20 R81 W96 F97 Y98 G411 | N18-A20 PolarHBondContact O-N 3.24Å; N18-R81 VanDerWaalsContact O-CB 3.31Å; N18-R81 WeakPolarHBondContact O-CB 3.26Å; N18-R81 VanDerWaalsContact O-CG 3.31Å; N18-R81 WeakPolarHBondContact O-CG 3.43Å; N18-R81 PolarHBondContact O-N 3.01Å; N18-W96 PolarHBondContact ND2-O 3.44Å; N18-F97 VanDerWaalsContact OD1-CA 3.3Å; N18-F97 WeakPolarHBondContact OD1-CA 3.11Å; N18-Y98 PolarHBondContact N-O 2.8Å; N18-Y98 PolarHBondContact OD1-N 2.67Å; N18-G411 VanDerWaalsContact CB-O 3.32Å; N18-G411 WeakPolarHBondContact CB-O 3.41Å; N18-G411 PolarHBondContact ND2-O 3.18Å | ||
| 19 | L | 94.3 | Very high | 89 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.5 | 135.6 | 176.2 | -165.2 | 62.9 | 0 | 0 | 0 | 111.8 | M1 F10 S12 V22 M78 W79 I80 F99 | M1-L19 VanDerWaalsContact CB-O 3.22Å; M1-L19 WeakPolarHBondContact CB-O 3.31Å; M1-L19 HydrophobicContact SD-CD2 4.43Å; F10-L19 HydrophobicContact CB-CD2 4.23Å; F10-L19 HydrophobicContact CD1-CD2 4.26Å; S12-L19 WeakPolarHBondContact OG-CB 3.18Å; S12-L19 PolarHBondContact OG-N 3.19Å; S12-L19 PolarHBondContact OG-O 2.85Å; L19-V22 HydrophobicContact CD1-CG2 4.29Å; L19-V22 HydrophobicContact CD2-CG2 3.47Å; L19-V22 VanDerWaalsContact CD2-CG2 3.47Å; L19-V22 HydrophobicContact CG-CG2 3.97Å; L19-M78 HydrophobicContact CD1-CB 4.28Å; L19-M78 HydrophobicContact CD1-CE 3.71Å; L19-M78 HydrophobicContact CD2-CE 3.73Å; L19-M78 HydrophobicContact CG-CE 4.39Å; L19-W79 WeakPolarHBondContact CD1-O 3.32Å; L19-I80 HydrophobicContact CD1-CG2 4.49Å; L19-F99 HydrophobicContact CB-CB 4.14Å; L19-F99 HydrophobicContact CD1-CD1 4.44Å; L19-F99 HydrophobicContact CD2-CB 3.89Å; L19-F99 HydrophobicContact CD2-CD2 4.41Å; L19-F99 HydrophobicContact CD2-CG 4.07Å |
| 20 | A | 93.6 | Very high | 86.8 | Confident | 40 Ų | 40 | 60 Ų | 60 | 33% | 0.331 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | -52.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | N18 W79 R81 | N18-A20 PolarHBondContact O-N 3.24Å; A20-W79 WeakPolarHBondContact CA-O 3.12Å; A20-W79 HydrophobicContact CB-CB 4.41Å; A20-W79 VanDerWaalsContact CB-O 3.29Å; A20-W79 WeakPolarHBondContact CB-O 3.48Å; A20-W79 PolarHBondContact N-O 3.19Å; A20-R81 HydrophobicContact CB-CG 3.62Å |
| 21 | R | 94.2 | Very high | 84.2 | Confident | 133 Ų | 133 | 66.4 Ų | 66.4 | 50% | 0.502 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 147.2 | -175.2 | -178.8 | -176.7 | -178.7 | 170.6 | -2 | 108.8 | E23 W79 | R21-E23 HydrophobicContact CG-CG 4.28Å; R21-E23 IonicContact CZ-OE1 3.15Å; R21-E23 IonicContact NE-OE1 2.81Å; R21-E23 PolarHBondContact NE-OE1 3.26Å; R21-E23 IonicContact NE-OE2 3.95Å; R21-E23 IonicContact NH2-OE1 2.63Å; R21-E23 PolarHBondContact NH2-OE1 3.08Å; R21-E23 IonicContact NH2-OE2 3.79Å; R21-W79 HydrophobicContact CB-CB 4.17Å; R21-W79 HydrophobicContact CB-CD2 4.34Å; R21-W79 HydrophobicContact CB-CE3 3.86Å; R21-W79 HydrophobicContact CG-CE3 3.79Å; R21-W79 HydrophobicContact CG-CZ3 4.14Å; R21-W79 PolarHBondContact N-O 3.09Å; R21-W79 PolarHBondContact O-N 3.1Å |
| 22 | V | 96.3 | Very high | 81.4 | Confident | 11 Ų | 11 | 69.4 Ų | 69.4 | 7% | 0.067 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 140 | 169.7 | -172.7 | 0 | 0 | 0 | 0 | 108 | M1 I5 F10 L19 F76 R77 M78 | M1-V22 HydrophobicContact CE-CG2 4.16Å; I5-V22 HydrophobicContact CD1-CB 3.87Å; I5-V22 HydrophobicContact CD1-CG1 3.57Å; F10-V22 HydrophobicContact CB-CG2 4.31Å; F10-V22 HydrophobicContact CD1-CG1 4.26Å; F10-V22 HydrophobicContact CD1-CG2 4Å; F10-V22 HydrophobicContact CD2-CB 4.43Å; F10-V22 HydrophobicContact CD2-CG1 4.06Å; F10-V22 HydrophobicContact CD2-CG2 4.41Å; F10-V22 HydrophobicContact CE1-CG1 3.95Å; F10-V22 HydrophobicContact CE1-CG2 4.43Å; F10-V22 HydrophobicContact CE2-CG1 3.76Å; F10-V22 HydrophobicContact CG-CB 4.49Å; F10-V22 HydrophobicContact CG-CG1 4.31Å; F10-V22 HydrophobicContact CG-CG2 3.98Å; F10-V22 HydrophobicContact CZ-CG1 3.7Å; L19-V22 HydrophobicContact CD1-CG2 4.29Å; L19-V22 HydrophobicContact CD2-CG2 3.47Å; L19-V22 VanDerWaalsContact CD2-CG2 3.47Å; L19-V22 HydrophobicContact CG-CG2 3.97Å; V22-F76 HydrophobicContact CG1-CB 4.15Å; V22-F76 HydrophobicContact CG1-CD1 4.01Å; V22-F76 HydrophobicContact CG1-CG 4.28Å; V22-R77 CarbonylContact C-O 3.52Å; V22-R77 WeakPolarHBondContact CA-O 3.45Å; V22-M78 HydrophobicContact CG1-CG 4.25Å; V22-M78 HydrophobicContact CG2-CE 3.97Å |
| 23 | E | 95.1 | Very high | 78.7 | Confident | 72 Ų | 72 | 74.1 Ų | 74.1 | 34% | 0.336 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 139 | 175.6 | -64.5 | -169.3 | 144.4 | 0 | 0 | 110.4 | R21 F76 R77 W79 | R21-E23 HydrophobicContact CG-CG 4.28Å; R21-E23 IonicContact CZ-OE1 3.15Å; R21-E23 IonicContact NE-OE1 2.81Å; R21-E23 PolarHBondContact NE-OE1 3.26Å; R21-E23 IonicContact NE-OE2 3.95Å; R21-E23 IonicContact NH2-OE1 2.63Å; R21-E23 PolarHBondContact NH2-OE1 3.08Å; R21-E23 IonicContact NH2-OE2 3.79Å; E23-F76 CarbonylContact O-C 3.56Å; E23-F76 VanDerWaalsContact O-CA 3.22Å; E23-F76 WeakPolarHBondContact O-CA 3.47Å; E23-R77 PolarHBondContact N-O 3.25Å; E23-R77 PolarHBondContact O-N 3.26Å; E23-W79 HydrophobicContact CB-CH2 4.41Å; E23-W79 HydrophobicContact CB-CZ3 4.05Å; E23-W79 HydrophobicContact CG-CH2 4.15Å; E23-W79 HydrophobicContact CG-CZ3 3.73Å; E23-W79 WeakPolarHBondContact OE2-CH2 3.17Å |
| 24 | K | 93.7 | Very high | 75.9 | Confident | 115 Ų | 115 | 73.3 Ų | 73.3 | 50% | 0.5 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 131.8 | 169 | -162.5 | -177.7 | 175.1 | -172.1 | 0 | 108.8 | I5 L26 F76 | I5-K24 HydrophobicContact CG2-CB 3.81Å; I5-K24 HydrophobicContact CG2-CD 4.34Å; I5-K24 HydrophobicContact CG2-CG 4.37Å; K24-L26 HydrophobicContact CD-CD2 4.32Å; K24-L26 PolarHBondContact O-N 2.99Å; K24-F76 HydrophobicContact CG-CE1 4.42Å |
| 25 | V | 90.6 | Very high | 72.8 | Confident | 35 Ų | 35 | 77.6 Ų | 77.6 | 21% | 0.212 | 42% | 0.418 | C | S | . | . | trans | -73.9 | 113.9 | 162.4 | -178.2 | 0 | 0 | 0 | 0 | 107.2 | E75 R77 | V25-E75 HydrophobicContact CB-CB 4.05Å; V25-E75 HydrophobicContact CB-CG 3.75Å; V25-E75 HydrophobicContact CG1-CG 4.38Å; V25-E75 HydrophobicContact CG2-CB 4.49Å; V25-E75 HydrophobicContact CG2-CG 3.82Å; V25-E75 PolarHBondContact N-O 3.09Å; V25-R77 HydrophobicContact CG2-CG 3.86Å | ||
| 26 | L | 78.2 | Confident | 69.7 | Low | 144 Ų | 144 | 81.1 Ų | 81.1 | 75% | 0.754 | 44% | 0.444 | S | S | * | . | P | Polyproline II helix | trans | -77.2 | 127.5 | 166.6 | -59 | 177.9 | 0 | 0 | 0 | 107.1 | K24 | K24-L26 HydrophobicContact CD-CD2 4.32Å; K24-L26 PolarHBondContact O-N 2.99Å |
| 27 | R | 67 | Low | 66.4 | Low | 101 Ų | 101 | 89.6 Ų | 89.6 | 38% | 0.381 | 49% | 0.488 | S | S | . | . | P | Polyproline II helix | trans | -85 | 142.6 | 163.8 | -65.4 | -172.4 | -171.3 | 141.3 | 14 | 107.7 | A72 E75 | R27-A72 PolarHBondContact NH1-O 3.45Å; R27-A72 PolarHBondContact NH2-O 3.15Å; R27-E75 IonicContact CZ-OE2 2.82Å; R27-E75 IonicContact NE-OE2 3.75Å; R27-E75 PolarHBondContact NE-OE2 3.12Å; R27-E75 IonicContact NH2-OE2 3.36Å; R27-E75 PolarHBondContact NH2-OE2 3.14Å |
| 28 | D | 58.6 | Low | 63 | Low | 112 Ų | 112 | 96.8 Ų | 96.8 | 60% | 0.599 | 52% | 0.519 | S | S | * | . | P | Polyproline II helix | trans | -63.9 | 126.4 | 165.5 | -127.8 | -33.2 | 0 | 0 | 0 | 107.4 | D30 E31 | D28-D30 PolarHBondContact O-N 2.95Å; D28-E31 HydrophobicContact CB-CB 4.21Å; D28-E31 PolarHBondContact O-N 3.35Å; D28-E31 VanDerWaalsContact O-N 3.13Å |
| 29 | P | 55.3 | Low | 59.8 | Low | 119 Ų | 119 | 102 Ų | 102 | 77% | 0.773 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.2 | -22 | 176.5 | 25.3 | -34.4 | 0 | 0 | 0 | 112.4 | ||
| 30 | D | 48.2 | Very low | 56.6 | Low | 143 Ų | 143 | 109.5 Ų | 109.5 | 77% | 0.765 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.8 | -5.1 | 179.3 | -61.2 | -30.9 | 0 | 0 | 0 | 113.6 | D28 P32 | D28-D30 PolarHBondContact O-N 2.95Å; D30-P32 WeakPolarHBondContact O-CD 3.22Å |
| 31 | E | 43 | Very low | 53.4 | Low | 135 Ų | 135 | 112.1 Ų | 112.1 | 63% | 0.631 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -74 | 108.7 | 175.1 | -166.6 | 177.5 | -141.4 | 0 | 0 | 109.1 | D28 | D28-E31 HydrophobicContact CB-CB 4.21Å; D28-E31 PolarHBondContact O-N 3.35Å; D28-E31 VanDerWaalsContact O-N 3.13Å |
| 32 | P | 36.9 | Very low | 50.2 | Low | 86 Ų | 86 | 115 Ų | 115 | 56% | 0.558 | 63% | 0.628 | S | S | * | * | trans | -64.6 | 142 | -173.4 | 27.2 | -34.3 | 0 | 0 | 0 | 109.8 | D30 S34 | D30-P32 WeakPolarHBondContact O-CD 3.22Å; P32-S34 PolarHBondContact O-N 3.42Å | ||
| 33 | P | 38.8 | Very low | 47 | Very low | 104 Ų | 104 | 123.8 Ų | 123.8 | 68% | 0.675 | 67% | 0.669 | S | S | * | * | trans | -56.8 | 115.6 | -179.9 | 24.3 | -33.4 | 0 | 0 | 0 | 108.8 | L35 | P33-L35 PolarHBondContact O-N 3.38Š| ||
| 34 | S | 34.9 | Very low | 43.7 | Very low | 106 Ų | 106 | 129.1 Ų | 129.1 | 74% | 0.741 | 69% | 0.693 | S | S | * | * | trans | -31.1 | 105.1 | -169.5 | 55.1 | 0 | 0 | 0 | 0 | 111.8 | P32 S36 | P32-S34 PolarHBondContact O-N 3.42Å; S34-S36 PolarHBondContact O-N 3.39Å | ||
| 35 | L | 29.1 | Very low | 40.6 | Very low | 146 Ų | 146 | 132.5 Ų | 132.5 | 76% | 0.764 | 71% | 0.711 | S | S | * | * | trans | -50.6 | 111.3 | -170.3 | -79.4 | 159.1 | 0 | 0 | 0 | 110 | P33 L37 | P33-L35 PolarHBondContact O-N 3.38Å; L35-L37 PolarHBondContact O-N 3.27Å; L35-L37 VanDerWaalsContact O-N 3.13Å | ||
| 36 | S | 28.6 | Very low | 37.5 | Very low | 86 Ų | 86 | 138.5 Ų | 138.5 | 60% | 0.601 | 74% | 0.737 | S | S | * | * | trans | -48.9 | 123.4 | 158.4 | 54.7 | 0 | 0 | 0 | 0 | 106.5 | S34 Q38 | S34-S36 PolarHBondContact O-N 3.39Å; S36-Q38 PolarHBondContact O-N 3.47Å | ||
| 37 | L | 26.3 | Very low | 35 | Very low | 181 Ų | 181 | 139.8 Ų | 139.8 | 95% | 0.948 | 74% | 0.739 | S | S | * | * | trans | -61 | 79 | -169.5 | -71.6 | 161.5 | 0 | 0 | 0 | 111.9 | L35 | L35-L37 PolarHBondContact O-N 3.27Å; L35-L37 VanDerWaalsContact O-N 3.13Å | ||
| 38 | Q | 26 | Very low | 33 | Very low | 160 Ų | 160 | 143.2 Ų | 143.2 | 75% | 0.748 | 76% | 0.759 | S | S | * | * | trans | -86.4 | 113.6 | 172.8 | -73.9 | -168.9 | -5.6 | 0 | 0 | 107.9 | S36 N40 | S36-Q38 PolarHBondContact O-N 3.47Å; Q38-N40 VanDerWaalsContact C-N 3.35Å; Q38-N40 PolarHBondContact O-N 3.39Å | ||
| 39 | S | 26.8 | Very low | 31.6 | Very low | 113 Ų | 113 | 143.8 Ų | 143.8 | 79% | 0.79 | 77% | 0.769 | S | S | * | * | trans | -67.4 | 84.2 | -176.3 | 52.8 | 0 | 0 | 0 | 0 | 111.7 | S41 | S39-S41 PolarHBondContact O-N 3.21Š| ||
| 40 | N | 27.3 | Very low | 30.2 | Very low | 158 Ų | 158 | 144.5 Ų | 144.5 | 85% | 0.845 | 77% | 0.771 | S | S | * | * | trans | -72.6 | 93.3 | 170.1 | -86.7 | -14.1 | 0 | 0 | 0 | 110.5 | Q38 | Q38-N40 VanDerWaalsContact C-N 3.35Å; Q38-N40 PolarHBondContact O-N 3.39Å | ||
| 41 | S | 27.1 | Very low | 29.1 | Very low | 94 Ų | 94 | 146.8 Ų | 146.8 | 66% | 0.657 | 78% | 0.777 | S | S | * | * | trans | -64.6 | 159.6 | 164.2 | 60.9 | 0 | 0 | 0 | 0 | 112.1 | S39 | S39-S41 PolarHBondContact O-N 3.21Š| ||
| 42 | K | 26.2 | Very low | 28.4 | Very low | 194 Ų | 194 | 149.8 Ų | 149.8 | 84% | 0.843 | 79% | 0.788 | S | S | * | * | trans | 76.5 | 111.6 | -177.3 | -47.5 | 169.2 | -176.2 | 178.8 | 0 | 111.9 | ||||
| 43 | Q | 29.8 | Very low | 27.9 | Very low | 196 Ų | 196 | 149.8 Ų | 149.8 | 92% | 0.916 | 80% | 0.795 | S | S | * | * | -140.4 | 154.1 | 61.2 | -77.8 | 169.5 | -4.5 | 0 | 0 | 113.7 | |||||
| 44 | Q | 24.8 | Very low | 27.3 | Very low | 183 Ų | 183 | 151.3 Ų | 151.3 | 86% | 0.855 | 80% | 0.803 | S | S | * | * | trans | -95 | 130.2 | 177.6 | -63.6 | 164.1 | -17.1 | 0 | 0 | 109.8 | ||||
| 45 | Q | 28.8 | Very low | 26.9 | Very low | 186 Ų | 186 | 153.4 Ų | 153.4 | 87% | 0.869 | 81% | 0.806 | S | S | * | * | trans | -159.7 | 102.4 | 149.9 | -112.9 | 157.1 | 72.5 | 0 | 0 | 111.5 | ||||
| 46 | Q | 26.8 | Very low | 26.8 | Very low | 162 Ų | 162 | 155.3 Ų | 155.3 | 76% | 0.757 | 81% | 0.808 | S | S | * | * | trans | 37.8 | 116.3 | 143.8 | -58.6 | 176.5 | 8.7 | 0 | 0 | 120.9 | ||||
| 47 | Q | 25 | Very low | 26.9 | Very low | 170 Ų | 170 | 156.2 Ų | 156.2 | 79% | 0.794 | 81% | 0.809 | S | S | * | * | trans | 53.9 | 121.6 | 131.7 | -51.9 | 174.2 | 29 | 0 | 0 | 117.6 | ||||
| 48 | Q | 25.2 | Very low | 27 | Very low | 174 Ų | 174 | 153.5 Ų | 153.5 | 81% | 0.813 | 80% | 0.796 | S | S | * | * | cis | -148.3 | 166.4 | 46.3 | -73.5 | -178.6 | 10.7 | 0 | 0 | 112.4 | V50 | Q48-V50 PolarHBondContact O-N 3.26Š| ||
| 49 | P | 29 | Very low | 27.1 | Very low | 124 Ų | 124 | 151.8 Ų | 151.8 | 81% | 0.805 | 79% | 0.792 | S | S | * | * | trans | -91.4 | 93.8 | -159.8 | 35.1 | -34.3 | 0 | 0 | 0 | 114.3 | ||||
| 50 | V | 26.2 | Very low | 27.3 | Very low | 134 Ų | 134 | 151.8 Ų | 151.8 | 81% | 0.812 | 79% | 0.787 | S | S | * | * | trans | -81.3 | 119.8 | 160.8 | -178.2 | 0 | 0 | 0 | 0 | 109 | Q48 K52 | Q48-V50 PolarHBondContact O-N 3.26Å; V50-K52 PolarHBondContact O-N 3.2Å | ||
| 51 | Q | 25.4 | Very low | 27.7 | Very low | 191 Ų | 191 | 147.7 Ų | 147.7 | 89% | 0.893 | 77% | 0.765 | S | S | * | * | trans | -62.8 | 99.7 | -178.4 | -65.7 | 175.7 | 1.3 | 0 | 0 | 110.8 | A53 | Q51-A53 PolarHBondContact O-N 3.01Š| ||
| 52 | K | 27.3 | Very low | 27.9 | Very low | 198 Ų | 198 | 150.6 Ų | 150.6 | 86% | 0.861 | 77% | 0.765 | S | S | * | * | trans | -71.4 | 99.8 | 173.2 | -77.5 | -176 | 175.6 | 178.2 | 0 | 109.9 | V50 T54 | V50-K52 PolarHBondContact O-N 3.2Å; K52-T54 PolarHBondContact O-N 3.29Å | ||
| 53 | A | 26 | Very low | 28.3 | Very low | 86 Ų | 86 | 143.9 Ų | 143.9 | 71% | 0.711 | 75% | 0.752 | S | S | * | * | trans | -51.8 | 122.1 | 167.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | Q51 N55 | Q51-A53 PolarHBondContact O-N 3.01Å; A53-N55 VanDerWaalsContact C-N 3.31Å; A53-N55 PolarHBondContact O-N 3.43Å | ||
| 54 | T | 27.1 | Very low | 29.1 | Very low | 135 Ų | 135 | 138.4 Ų | 138.4 | 83% | 0.828 | 73% | 0.729 | S | S | * | * | trans | -77.6 | 82.2 | -178.6 | 38.4 | 0 | 0 | 0 | 0 | 110.2 | K52 K56 | K52-T54 PolarHBondContact O-N 3.29Å; T54-K56 PolarHBondContact O-N 3.18Å | ||
| 55 | N | 26.8 | Very low | 30 | Very low | 151 Ų | 151 | 133.3 Ų | 133.3 | 81% | 0.807 | 71% | 0.707 | S | S | * | * | trans | -53.5 | 106.1 | 172.6 | -88.6 | -20.1 | 0 | 0 | 0 | 110.3 | A53 V57 | A53-N55 VanDerWaalsContact C-N 3.31Å; A53-N55 PolarHBondContact O-N 3.43Å; N55-V57 PolarHBondContact O-N 3.02Å | ||
| 56 | K | 27.2 | Very low | 31.3 | Very low | 186 Ų | 186 | 127 Ų | 127 | 81% | 0.809 | 69% | 0.687 | S | S | * | * | trans | -63.9 | 101.4 | 174.1 | -78.7 | 178.9 | 173.5 | 176.3 | 0 | 109 | T54 N58 | T54-K56 PolarHBondContact O-N 3.18Å; K56-N58 PolarHBondContact O-N 3.27Å | ||
| 57 | V | 30.1 | Very low | 33.1 | Very low | 105 Ų | 105 | 120.1 Ų | 120.1 | 64% | 0.636 | 66% | 0.655 | S | S | * | * | trans | -57.1 | 122.8 | 172.8 | 178.9 | 0 | 0 | 0 | 0 | 108.8 | N55 N59 I61 | N55-V57 PolarHBondContact O-N 3.02Å; V57-N59 PolarHBondContact O-N 2.96Å; V57-I61 HydrophobicContact CG1-CD1 3.66Å | ||
| 58 | N | 27.7 | Very low | 34.9 | Very low | 123 Ų | 123 | 115.2 Ų | 115.2 | 66% | 0.658 | 64% | 0.644 | S | S | * | * | trans | -62.2 | 122.6 | -178.8 | -81.2 | -47.6 | 0 | 0 | 0 | 111 | K56 T60 I61 | K56-N58 PolarHBondContact O-N 3.27Å; N58-T60 PolarHBondContact O-N 3.33Å; N58-I61 PolarHBondContact O-N 3.1Å | ||
| 59 | N | 29.1 | Very low | 37 | Very low | 124 Ų | 124 | 112.9 Ų | 112.9 | 66% | 0.663 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.3 | 1.8 | -176 | -82.3 | -12.8 | 0 | 0 | 0 | 115.5 | V57 I61 | V57-N59 PolarHBondContact O-N 2.96Å; N59-I61 PolarHBondContact O-N 3.4Å |
| 60 | T | 31.3 | Very low | 39.3 | Very low | 114 Ų | 114 | 108.4 Ų | 108.4 | 70% | 0.699 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.6 | -12.4 | 167.8 | 34.6 | 0 | 0 | 0 | 0 | 113.8 | N58 | N58-T60 PolarHBondContact O-N 3.33Š|
| 61 | I | 34.6 | Very low | 42 | Very low | 72 Ų | 72 | 111.4 Ų | 111.4 | 37% | 0.369 | 60% | 0.6 | S | S | . | * | S | Bend | trans | -73.9 | -30 | -174.8 | -73.4 | 168.4 | 0 | 0 | 0 | 113.7 | V57 N58 N59 G63 N64 L65 | V57-I61 HydrophobicContact CG1-CD1 3.66Å; N58-I61 PolarHBondContact O-N 3.1Å; N59-I61 PolarHBondContact O-N 3.4Å; I61-G63 VanDerWaalsContact C-N 3.26Å; I61-G63 PolarHBondContact O-N 3.01Å; I61-G63 VanDerWaalsContact O-N 3.14Å; I61-N64 PolarHBondContact O-N 2.96Å; I61-L65 HydrophobicContact CG2-CD1 3.76Å; I61-L65 PolarHBondContact O-N 3.17Å |
| 62 | F | 30.5 | Very low | 44.9 | Very low | 154 Ų | 154 | 102.3 Ų | 102.3 | 68% | 0.675 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -57.9 | -33.3 | -175.3 | -74.4 | -76.5 | 0 | 0 | 0 | 114.4 | ||
| 63 | G | 35 | Very low | 47.9 | Very low | 54 Ų | 54 | 96.3 Ų | 96.3 | 56% | 0.557 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -78.3 | -22.2 | 175 | 0 | 0 | 0 | 0 | 0 | 114.5 | I61 | I61-G63 VanDerWaalsContact C-N 3.26Å; I61-G63 PolarHBondContact O-N 3.01Å; I61-G63 VanDerWaalsContact O-N 3.14Å |
| 64 | N | 46.3 | Very low | 51.1 | Low | 80 Ų | 80 | 93.7 Ų | 93.7 | 43% | 0.428 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -84 | -34.1 | 177.1 | -68.8 | -5.5 | 0 | 0 | 0 | 111.3 | I61 A66 I67 A68 I152 | I61-N64 PolarHBondContact O-N 2.96Å; N64-A66 PolarHBondContact O-N 3.41Å; N64-I67 PolarHBondContact O-N 3.15Å; N64-A68 PolarHBondContact O-N 3.39Å; N64-I152 HydrophobicContact CB-CD1 4.26Å |
| 65 | L | 44.1 | Very low | 54.4 | Low | 76 Ų | 76 | 88.6 Ų | 88.6 | 40% | 0.398 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -57.6 | -48.5 | 179.9 | -132.7 | 73.4 | 0 | 0 | 0 | 111.5 | I61 I67 A68 E69 | I61-L65 HydrophobicContact CG2-CD1 3.76Å; I61-L65 PolarHBondContact O-N 3.17Å; L65-I67 VanDerWaalsContact C-N 3.25Å; L65-I67 PolarHBondContact O-N 3.04Å; L65-I67 VanDerWaalsContact O-N 3.09Å; L65-A68 WeakPolarHBondContact O-CB 3.23Å; L65-A68 PolarHBondContact O-N 3.49Å; L65-E69 VanDerWaalsContact CD2-OE1 3.28Å; L65-E69 WeakPolarHBondContact CD2-OE1 3.14Å; L65-E69 WeakPolarHBondContact CG-OE1 3.04Å; L65-E69 WeakPolarHBondContact O-CB 3.5Å; L65-E69 VanDerWaalsContact O-CG 3.32Å; L65-E69 WeakPolarHBondContact O-CG 3.49Å; L65-E69 PolarHBondContact O-N 3.01Å |
| 66 | A | 57.3 | Low | 57.7 | Low | 54 Ų | 54 | 81.6 Ų | 81.6 | 45% | 0.446 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -53.9 | -37.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114 | N64 V70 | N64-A66 PolarHBondContact O-N 3.41Å; A66-V70 WeakPolarHBondContact O-CG2 3.2Å; A66-V70 PolarHBondContact O-N 3.31Å |
| 67 | I | 62.9 | Low | 61 | Low | 18 Ų | 18 | 78.7 Ų | 78.7 | 9% | 0.092 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -82.7 | -31.6 | 179.6 | -74.4 | 172.5 | 0 | 0 | 0 | 112.3 | N64 L65 E69 K150 I152 I165 | N64-I67 PolarHBondContact O-N 3.15Å; L65-I67 VanDerWaalsContact C-N 3.25Å; L65-I67 PolarHBondContact O-N 3.04Å; L65-I67 VanDerWaalsContact O-N 3.09Å; I67-E69 VanDerWaalsContact C-N 3.33Å; I67-K150 WeakPolarHBondContact CD1-O 3.45Å; I67-I152 HydrophobicContact CB-CD1 3.74Å; I67-I152 HydrophobicContact CB-CG1 4.38Å; I67-I152 HydrophobicContact CD1-CD1 4.45Å; I67-I152 HydrophobicContact CD1-CG1 4.21Å; I67-I152 HydrophobicContact CG2-CD1 3.61Å; I67-I152 HydrophobicContact CG2-CG1 4.1Å; I67-I165 HydrophobicContact CB-CD1 4.45Å; I67-I165 HydrophobicContact CG2-CD1 3.76Å; I67-I165 HydrophobicContact CG2-CG1 4.16Å |
| 68 | A | 63.2 | Low | 64.1 | Low | 67 Ų | 67 | 73.7 Ų | 73.7 | 55% | 0.554 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -65.8 | -39.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | N64 L65 R111 | N64-A68 PolarHBondContact O-N 3.39Å; L65-A68 WeakPolarHBondContact O-CB 3.23Å; L65-A68 PolarHBondContact O-N 3.49Å; A68-R111 PolarHBondContact O-NH1 2.8Å |
| 69 | E | 70.4 | Confident | 67.4 | Low | 124 Ų | 124 | 70.4 Ų | 70.4 | 58% | 0.579 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -73 | -21.4 | 178.5 | -70.4 | 172.2 | 171 | 0 | 0 | 114.1 | L65 I67 R71 | L65-E69 VanDerWaalsContact CD2-OE1 3.28Å; L65-E69 WeakPolarHBondContact CD2-OE1 3.14Å; L65-E69 WeakPolarHBondContact CG-OE1 3.04Å; L65-E69 WeakPolarHBondContact O-CB 3.5Å; L65-E69 VanDerWaalsContact O-CG 3.32Å; L65-E69 WeakPolarHBondContact O-CG 3.49Å; L65-E69 PolarHBondContact O-N 3.01Å; I67-E69 VanDerWaalsContact C-N 3.33Å; E69-R71 PolarHBondContact O-N 3.3Å |
| 70 | V | 77.2 | Confident | 70.5 | Confident | 31 Ų | 31 | 64.5 Ų | 64.5 | 19% | 0.188 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -64.8 | 108.3 | 173.9 | -178.5 | 0 | 0 | 0 | 0 | 109.7 | A66 A72 I109 I165 | A66-V70 WeakPolarHBondContact O-CG2 3.2Å; A66-V70 PolarHBondContact O-N 3.31Å; V70-A72 PolarHBondContact O-N 2.88Å; V70-I109 HydrophobicContact CG1-CD1 3.85Å; V70-I109 HydrophobicContact CG1-CG2 3.91Å; V70-I165 HydrophobicContact CB-CD1 3.75Å; V70-I165 HydrophobicContact CG1-CD1 4.09Å; V70-I165 HydrophobicContact CG2-CD1 4.24Å |
| 71 | R | 81.4 | Confident | 73.5 | Confident | 196 Ų | 196 | 64.4 Ų | 64.4 | 74% | 0.74 | 32% | 0.323 | S | S | * | . | trans | -63.1 | 92.8 | 168.8 | -174.6 | 178.4 | -178.9 | 160 | 3.4 | 110.1 | E69 | E69-R71 PolarHBondContact O-N 3.3Š| ||
| 72 | A | 86.5 | Confident | 76.4 | Confident | 1 Ų | 1 | 62.8 Ų | 62.8 | 1% | 0.008 | 32% | 0.317 | C | S | . | . | trans | -67.9 | 141.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | R27 V70 I109 R111 | R27-A72 PolarHBondContact NH1-O 3.45Å; R27-A72 PolarHBondContact NH2-O 3.15Å; V70-A72 PolarHBondContact O-N 2.88Å; A72-I109 HydrophobicContact CB-CG2 4.46Å; A72-R111 HydrophobicContact CB-CB 3.63Å | ||
| 73 | D | 91.9 | Very high | 79.5 | Confident | 71 Ų | 71 | 55.5 Ų | 55.5 | 38% | 0.38 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -80.4 | -36.3 | 170.5 | -61.8 | -89.1 | 0 | 0 | 0 | 111.6 | K108 I109 | D73-K108 HydrophobicContact CB-CB 4.16Å; D73-K108 HydrophobicContact CB-CD 3.66Å; D73-K108 HydrophobicContact CB-CG 4.45Å; D73-K108 WeakPolarHBondContact OD1-CD 3.17Å; D73-K108 WeakPolarHBondContact OD1-CE 3.17Å; D73-K108 IonicContact OD1-NZ 3.78Å; D73-K108 PolarHBondContact OD1-NZ 2.85Å; D73-K108 WeakPolarHBondContact OD2-CA 3.3Å; D73-K108 WeakPolarHBondContact OD2-CD 3.39Å; D73-I109 PolarHBondContact N-O 3.42Å; D73-I109 PolarHBondContact OD2-N 2.74Å |
| 74 | Y | 92.9 | Very high | 82.4 | Confident | 32 Ų | 32 | 53.2 Ų | 53.2 | 13% | 0.125 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 133.9 | 176.9 | -50.6 | -58.1 | 0 | 0 | 0 | 109.6 | I8 F76 S105 K108 I109 M110 R111 F168 | I8-Y74 HydrophobicContact CD1-CD1 3.56Å; I8-Y74 HydrophobicContact CD1-CD2 3.88Å; I8-Y74 HydrophobicContact CD1-CE1 3.63Å; I8-Y74 HydrophobicContact CD1-CE2 3.93Å; I8-Y74 HydrophobicContact CD1-CG 3.68Å; Y74-F76 HydrophobicContact CG-CE2 4.43Å; Y74-S105 PolarHBondContact OH-N 3.34Å; Y74-K108 HydrophobicContact CD2-CB 4.1Å; Y74-K108 HydrophobicContact CE2-CB 3.45Å; Y74-K108 VanDerWaalsContact CE2-CB 3.45Å; Y74-K108 HydrophobicContact CE2-CG 4.03Å; Y74-I109 PolarHBondContact N-O 3.17Å; Y74-M110 CarbonylContact O-C 3.56Å; Y74-M110 VanDerWaalsContact O-CA 3.31Å; Y74-M110 WeakPolarHBondContact O-CA 3.25Å; Y74-R111 PolarHBondContact O-N 3.38Å; Y74-F168 HydrophobicContact CD2-CD2 4.41Å; Y74-F168 HydrophobicContact CD2-CE2 4.11Å; Y74-F168 HydrophobicContact CE2-CD2 4.4Å; Y74-F168 HydrophobicContact CE2-CE2 4.42Å |
| 75 | E | 95.4 | Very high | 84.6 | Confident | 28 Ų | 28 | 51.3 Ų | 51.3 | 13% | 0.131 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 122.8 | -176.5 | -168.6 | 167.7 | -177.1 | 0 | 0 | 110.1 | V25 R27 R111 | V25-E75 HydrophobicContact CB-CB 4.05Å; V25-E75 HydrophobicContact CB-CG 3.75Å; V25-E75 HydrophobicContact CG1-CG 4.38Å; V25-E75 HydrophobicContact CG2-CB 4.49Å; V25-E75 HydrophobicContact CG2-CG 3.82Å; V25-E75 PolarHBondContact N-O 3.09Å; R27-E75 IonicContact CZ-OE2 2.82Å; R27-E75 IonicContact NE-OE2 3.75Å; R27-E75 PolarHBondContact NE-OE2 3.12Å; R27-E75 IonicContact NH2-OE2 3.36Å; R27-E75 PolarHBondContact NH2-OE2 3.14Å; E75-R111 WeakPolarHBondContact CA-O 3.29Å; E75-R111 VanDerWaalsContact CD-NE 3.31Å; E75-R111 HydrophobicContact CG-CB 4.25Å; E75-R111 HydrophobicContact CG-CG 4.37Å; E75-R111 IonicContact OE1-CZ 3.62Å; E75-R111 IonicContact OE1-NE 3.65Å; E75-R111 PolarHBondContact OE1-NE 3.15Å; E75-R111 IonicContact OE1-NH2 2.67Å; E75-R111 PolarHBondContact OE1-NH2 3.33Å; E75-R111 IonicContact OE2-CZ 3.17Å; E75-R111 IonicContact OE2-NE 2.82Å; E75-R111 IonicContact OE2-NH2 3.44Å; E75-R111 PolarHBondContact OE2-NH2 3.15Å |
| 76 | F | 96.4 | Very high | 86.8 | Confident | 4 Ų | 4 | 51.8 Ų | 51.8 | 2% | 0.018 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 135.9 | -170.3 | -57.5 | -71.1 | 0 | 0 | 0 | 113 | I5 I8 F10 V22 E23 K24 Y74 M78 M101 M110 R111 T113 | I5-F76 HydrophobicContact CB-CE1 4.4Å; I5-F76 HydrophobicContact CD1-CD1 4.35Å; I5-F76 HydrophobicContact CD1-CE1 4.33Å; I5-F76 HydrophobicContact CG2-CE1 4.03Å; I8-F76 HydrophobicContact CD1-CE2 4.26Å; I8-F76 HydrophobicContact CD1-CZ 3.82Å; F10-F76 HydrophobicContact CE1-CD2 4.46Å; F10-F76 HydrophobicContact CE2-CD1 4.14Å; F10-F76 AromaticContact CE2-CE1 3.84Å; F10-F76 HydrophobicContact CE2-CE1 3.84Å; F10-F76 HydrophobicContact CE2-CE2 4.32Å; F10-F76 AromaticContact CE2-CZ 3.93Å; F10-F76 HydrophobicContact CE2-CZ 3.93Å; F10-F76 AromaticContact CZ-CD1 3.84Å; F10-F76 HydrophobicContact CZ-CD1 3.84Å; F10-F76 AromaticContact CZ-CD2 3.68Å; F10-F76 HydrophobicContact CZ-CD2 3.68Å; F10-F76 AromaticContact CZ-CE1 3.82Å; F10-F76 HydrophobicContact CZ-CE1 3.82Å; F10-F76 AromaticContact CZ-CE2 3.63Å; F10-F76 HydrophobicContact CZ-CE2 3.63Å; F10-F76 AromaticContact CZ-CG 3.77Å; F10-F76 HydrophobicContact CZ-CG 3.77Å; F10-F76 AromaticContact CZ-CZ 3.71Å; F10-F76 HydrophobicContact CZ-CZ 3.71Å; V22-F76 HydrophobicContact CG1-CB 4.15Å; V22-F76 HydrophobicContact CG1-CD1 4.01Å; V22-F76 HydrophobicContact CG1-CG 4.28Å; E23-F76 CarbonylContact O-C 3.56Å; E23-F76 VanDerWaalsContact O-CA 3.22Å; E23-F76 WeakPolarHBondContact O-CA 3.47Å; K24-F76 HydrophobicContact CG-CE1 4.42Å; Y74-F76 HydrophobicContact CG-CE2 4.43Å; F76-M78 HydrophobicContact CB-CG 4.17Å; F76-M101 HydrophobicContact CE2-CE 3.98Å; F76-M110 HydrophobicContact CD2-CG 3.96Å; F76-M110 HydrophobicContact CD2-SD 3.89Å; F76-M110 HydrophobicContact CE2-CG 4.22Å; F76-M110 HydrophobicContact CE2-SD 4.14Å; F76-R111 PolarHBondContact N-O 2.71Å; F76-T113 PolarHBondContact O-N 3.43Å |
| 77 | R | 96 | Very high | 88.5 | Confident | 125 Ų | 125 | 52.5 Ų | 52.5 | 47% | 0.472 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 134.2 | 160.8 | -65.1 | -178.5 | -176.9 | -172.8 | 0.3 | 108.3 | V22 E23 V25 W79 M115 | V22-R77 CarbonylContact C-O 3.52Å; V22-R77 WeakPolarHBondContact CA-O 3.45Å; E23-R77 PolarHBondContact N-O 3.25Å; E23-R77 PolarHBondContact O-N 3.26Å; V25-R77 HydrophobicContact CG2-CG 3.86Å; R77-W79 HydrophobicContact CB-CH2 3.54Å; R77-W79 HydrophobicContact CB-CZ2 4.41Å; R77-W79 HydrophobicContact CB-CZ3 3.68Å; R77-W79 WeakPolarHBondContact O-CZ3 3.41Å; R77-M115 HydrophobicContact CB-CG 3.91Å; R77-M115 HydrophobicContact CB-SD 3.9Å; R77-M115 HydrophobicContact CG-CG 4.42Å; R77-M115 HydrophobicContact CG-SD 3.74Å |
| 78 | M | 96.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 139.3 | -170.6 | -56.3 | -172.5 | 77.3 | 0 | 0 | 109.6 | F10 L19 V22 F76 F99 A112 T113 I114 M115 | F10-M78 HydrophobicContact CD1-CE 3.75Å; F10-M78 HydrophobicContact CE1-CE 3.64Å; F10-M78 HydrophobicContact CE1-SD 4.4Å; L19-M78 HydrophobicContact CD1-CB 4.28Å; L19-M78 HydrophobicContact CD1-CE 3.71Å; L19-M78 HydrophobicContact CD2-CE 3.73Å; L19-M78 HydrophobicContact CG-CE 4.39Å; V22-M78 HydrophobicContact CG1-CG 4.25Å; V22-M78 HydrophobicContact CG2-CE 3.97Å; F76-M78 HydrophobicContact CB-CG 4.17Å; M78-F99 HydrophobicContact CE-CD1 4.25Å; M78-F99 HydrophobicContact CE-CD2 3.97Å; M78-F99 HydrophobicContact CE-CE1 3.86Å; M78-F99 HydrophobicContact CE-CE2 3.56Å; M78-F99 HydrophobicContact CE-CG 4.3Å; M78-F99 HydrophobicContact CE-CZ 3.49Å; M78-F99 VanDerWaalsContact CE-CZ 3.49Å; M78-F99 HydrophobicContact SD-CE1 4.41Å; M78-F99 HydrophobicContact SD-CE2 4.37Å; M78-F99 HydrophobicContact SD-CZ 3.9Å; M78-A112 HydrophobicContact SD-CB 3.89Å; M78-T113 PolarHBondContact N-O 3.45Å; M78-I114 HydrophobicContact CB-CG1 4.43Å; M78-I114 CarbonylContact O-C 3.59Å; M78-I114 WeakPolarHBondContact O-CA 3.39Å; M78-M115 PolarHBondContact O-N 3.26Å |
| 79 | W | 96.1 | Very high | 91.3 | Very high | 53 Ų | 53 | 57.1 Ų | 57.1 | 20% | 0.201 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 135.7 | 174.2 | -64.3 | -105.6 | 0 | 0 | 0 | 109.1 | L19 A20 R21 E23 R77 M115 N116 | L19-W79 WeakPolarHBondContact CD1-O 3.32Å; A20-W79 WeakPolarHBondContact CA-O 3.12Å; A20-W79 HydrophobicContact CB-CB 4.41Å; A20-W79 VanDerWaalsContact CB-O 3.29Å; A20-W79 WeakPolarHBondContact CB-O 3.48Å; A20-W79 PolarHBondContact N-O 3.19Å; R21-W79 HydrophobicContact CB-CB 4.17Å; R21-W79 HydrophobicContact CB-CD2 4.34Å; R21-W79 HydrophobicContact CB-CE3 3.86Å; R21-W79 HydrophobicContact CG-CE3 3.79Å; R21-W79 HydrophobicContact CG-CZ3 4.14Å; R21-W79 PolarHBondContact N-O 3.09Å; R21-W79 PolarHBondContact O-N 3.1Å; E23-W79 HydrophobicContact CB-CH2 4.41Å; E23-W79 HydrophobicContact CB-CZ3 4.05Å; E23-W79 HydrophobicContact CG-CH2 4.15Å; E23-W79 HydrophobicContact CG-CZ3 3.73Å; E23-W79 WeakPolarHBondContact OE2-CH2 3.17Å; R77-W79 HydrophobicContact CB-CH2 3.54Å; R77-W79 HydrophobicContact CB-CZ2 4.41Å; R77-W79 HydrophobicContact CB-CZ3 3.68Å; R77-W79 WeakPolarHBondContact O-CZ3 3.41Å; W79-M115 HydrophobicContact CD2-CB 4.28Å; W79-M115 HydrophobicContact CD2-CG 4.18Å; W79-M115 HydrophobicContact CG-CB 4.41Å; W79-M115 HydrophobicContact CH2-CG 4.16Å; W79-M115 HydrophobicContact CZ2-CB 4.22Å; W79-M115 HydrophobicContact CZ2-CG 3.73Å; W79-N116 VanDerWaalsContact CA-OD1 3.31Å; W79-N116 WeakPolarHBondContact CA-OD1 3.29Å |
| 80 | I | 95.3 | Very high | 92.3 | Very high | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 150.7 | 175.6 | 54.6 | 165.2 | 0 | 0 | 0 | 109.8 | L19 R94 W96 F97 I114 N116 M117 | L19-I80 HydrophobicContact CD1-CG2 4.49Å; I80-R94 HydrophobicContact CD1-CB 3.97Å; I80-R94 WeakPolarHBondContact CD1-O 3.31Å; I80-R94 HydrophobicContact CG1-CB 4.25Å; I80-W96 WeakPolarHBondContact CD1-O 3.34Å; I80-F97 HydrophobicContact CG2-CB 3.7Å; I80-I114 HydrophobicContact CG1-CG2 4.21Å; I80-I114 HydrophobicContact CG2-CG2 3.99Å; I80-N116 WeakPolarHBondContact CG1-OD1 3.4Å; I80-N116 PolarHBondContact N-OD1 2.99Å; I80-N116 PolarHBondContact O-ND2 3.48Å; I80-M117 HydrophobicContact CD1-CG 3.94Å |
| 81 | R | 94.2 | Very high | 93 | Very high | 111 Ų | 111 | 54.3 Ų | 54.3 | 42% | 0.419 | 30% | 0.299 | S | S | . | . | P | Polyproline II helix | trans | -71.3 | 133.7 | 174.3 | -70.5 | 180 | 179.1 | 176.2 | -6.2 | 109.1 | N18 A20 A85 | N18-R81 VanDerWaalsContact O-CB 3.31Å; N18-R81 WeakPolarHBondContact O-CB 3.26Å; N18-R81 VanDerWaalsContact O-CG 3.31Å; N18-R81 WeakPolarHBondContact O-CG 3.43Å; N18-R81 PolarHBondContact O-N 3.01Å; A20-R81 HydrophobicContact CB-CG 3.62Å; R81-A85 HydrophobicContact CB-CB 3.75Å; R81-A85 HydrophobicContact CG-CB 4.09Å |
| 82 | P | 95.2 | Very high | 93.4 | Very high | 38 Ų | 38 | 45.6 Ų | 45.6 | 25% | 0.247 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -63.1 | 161.6 | 160.4 | 24.1 | -30.1 | 0 | 0 | 0 | 111.3 | C84 A85 N91 N93 | P82-C84 PolarHBondContact O-N 3.35Å; P82-A85 HydrophobicContact CG-CB 3.91Å; P82-A85 VanDerWaalsContact O-CB 3.26Å; P82-A85 WeakPolarHBondContact O-CB 3.22Å; P82-A85 PolarHBondContact O-N 3.17Å; P82-A85 VanDerWaalsContact O-N 3.09Å; P82-N91 WeakPolarHBondContact CB-O 3.27Å; P82-N93 CarbonylContact C-O 3.6Å; P82-N93 VanDerWaalsContact CA-O 3.23Å; P82-N93 WeakPolarHBondContact CA-O 3.23Å |
| 83 | D | 96 | Very high | 93.7 | Very high | 2 Ų | 2 | 46.1 Ų | 46.1 | 1% | 0.011 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | 135.7 | 168.6 | -65.5 | 9.1 | 0 | 0 | 0 | 110.1 | A85 N91 N93 H412 Y413 R414 T415 | D83-A85 PolarHBondContact O-N 3.32Å; D83-N91 PolarHBondContact O-N 3.19Å; D83-N91 VanDerWaalsContact O-N 3.15Å; D83-N93 HydrophobicContact CB-CB 4.16Å; D83-N93 PolarHBondContact N-O 3.03Å; D83-H412 HydrophobicContact CB-CB 4.2Å; D83-H412 VanDerWaalsContact OD1-CA 3.3Å; D83-H412 WeakPolarHBondContact OD1-CA 3.29Å; D83-H412 WeakPolarHBondContact OD1-CB 3.47Å; D83-Y413 PolarHBondContact OD1-N 3.13Å; D83-Y413 PolarHBondContact OD2-N 2.8Å; D83-R414 WeakPolarHBondContact OD2-CA 3.37Å; D83-R414 WeakPolarHBondContact OD2-CB 3.48Å; D83-R414 PolarHBondContact OD2-N 3.41Å; D83-T415 PolarHBondContact OD2-N 3.22Å; D83-T415 PolarHBondContact OD2-OG1 3.05Å |
| 84 | C | 94.9 | Very high | 93.7 | Very high | 5 Ų | 5 | 44.8 Ų | 44.8 | 3% | 0.034 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 60.1 | 22.3 | -177.6 | -54.1 | 0 | 0 | 0 | 0 | 115 | P82 G86 T87 Y89 A90 H412 D416 G419 | P82-C84 PolarHBondContact O-N 3.35Å; C84-G86 PolarHBondContact O-N 3.34Å; C84-T87 PolarHBondContact O-N 3.19Å; C84-T87 PolarHBondContact O-OG1 3.17Å; C84-Y89 VanDerWaalsContact CB-C 3.44Å; C84-Y89 WeakPolarHBondContact CB-O 3.21Å; C84-A90 WeakPolarHBondContact O-CA 3.14Å; C84-A90 WeakPolarHBondContact O-CB 3.47Å; C84-H412 PolarHBondContact N-CE1 2.72Å; C84-H412 VanDerWaalsContact N-CE1 3.32Å; C84-H412 PolarHBondContact N-NE2 2.79Å; C84-H412 PolarHBondContact SG-CE1 3.35Å; C84-D416 PolarHBondContact SG-O 3.46Å; C84-G419 PolarHBondContact SG-N 2.79Å; C84-G419 VanDerWaalsContact SG-N 3.36Å |
| 85 | A | 92.8 | Very high | 93.7 | Very high | 41 Ų | 41 | 43.2 Ų | 43.2 | 34% | 0.339 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | 126.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | R81 P82 D83 | R81-A85 HydrophobicContact CB-CB 3.75Å; R81-A85 HydrophobicContact CG-CB 4.09Å; P82-A85 HydrophobicContact CG-CB 3.91Å; P82-A85 VanDerWaalsContact O-CB 3.26Å; P82-A85 WeakPolarHBondContact O-CB 3.22Å; P82-A85 PolarHBondContact O-N 3.17Å; P82-A85 VanDerWaalsContact O-N 3.09Å; D83-A85 PolarHBondContact O-N 3.32Å |
| 86 | G | 90.6 | Very high | 93.8 | Very high | 85 Ų | 85 | 42.2 Ų | 42.2 | 88% | 0.876 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.9 | 6.9 | -178 | 0 | 0 | 0 | 0 | 0 | 114.6 | C84 | C84-G86 PolarHBondContact O-N 3.34Š|
| 87 | T | 92.3 | Very high | 93.8 | Very high | 69 Ų | 69 | 42 Ų | 42 | 42% | 0.423 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -119.8 | 167 | 169.9 | 84.3 | 0 | 0 | 0 | 0 | 111 | C84 Y89 A90 | C84-T87 PolarHBondContact O-N 3.19Å; C84-T87 PolarHBondContact O-OG1 3.17Å; T87-Y89 PolarHBondContact O-N 3.44Å; T87-Y89 PolarHBondContact OG1-N 3.46Å; T87-Y89 VanDerWaalsContact OG1-N 3.13Å; T87-A90 WeakPolarHBondContact O-CB 3.44Å; T87-A90 PolarHBondContact O-N 3.15Å |
| 88 | A | 92.2 | Very high | 93.9 | Very high | 104 Ų | 104 | 36.9 Ų | 36.9 | 86% | 0.86 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -5.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 89 | Y | 92.7 | Very high | 93.9 | Very high | 78 Ų | 78 | 36.9 Ų | 36.9 | 31% | 0.306 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.1 | 5.3 | 179.7 | -50 | -65.5 | 0 | 0 | 0 | 113.7 | C84 T87 N91 T417 R418 S1005 | C84-Y89 VanDerWaalsContact CB-C 3.44Å; C84-Y89 WeakPolarHBondContact CB-O 3.21Å; T87-Y89 PolarHBondContact O-N 3.44Å; T87-Y89 PolarHBondContact OG1-N 3.46Å; T87-Y89 VanDerWaalsContact OG1-N 3.13Å; Y89-N91 PolarHBondContact O-N 3.4Å; Y89-T417 WeakPolarHBondContact CD2-O 3.2Å; Y89-R418 VanDerWaalsContact CB-C 3.41Å; Y89-R418 WeakPolarHBondContact CD1-O 3.36Å; Y89-R418 HydrophobicContact CE2-CG 4.4Å; Y89-R418 HydrophobicContact CG-CB 4.5Å; Y89-S1005 VanDerWaalsContact OH-CB 3.28Å; Y89-S1005 WeakPolarHBondContact OH-CB 3.45Å; Y89-S1005 PolarHBondContact OH-OG 2.91Å |
| 90 | A | 92.6 | Very high | 94 | Very high | 56 Ų | 56 | 34.8 Ų | 34.8 | 46% | 0.463 | 23% | 0.225 | S | C | . | . | trans | -49.8 | 129.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | C84 T87 | C84-A90 WeakPolarHBondContact O-CA 3.14Å; C84-A90 WeakPolarHBondContact O-CB 3.47Å; T87-A90 WeakPolarHBondContact O-CB 3.44Å; T87-A90 PolarHBondContact O-N 3.15Å | ||
| 91 | N | 90.6 | Very high | 94 | Very high | 41 Ų | 41 | 34.8 Ų | 34.8 | 22% | 0.219 | 22% | 0.224 | C | C | . | . | trans | -130.9 | -176.3 | -176.2 | 69.6 | 58.1 | 0 | 0 | 0 | 112.6 | P82 D83 Y89 N93 T415 | P82-N91 WeakPolarHBondContact CB-O 3.27Å; D83-N91 PolarHBondContact O-N 3.19Å; D83-N91 VanDerWaalsContact O-N 3.15Å; Y89-N91 PolarHBondContact O-N 3.4Å; N91-N93 VanDerWaalsContact C-N 3.27Å; N91-N93 PolarHBondContact O-N 3.03Å; N91-N93 WeakPolarHBondContact OD1-CB 3.3Å; N91-N93 PolarHBondContact OD1-N 3.05Å; N91-N93 PolarHBondContact OD1-ND2 3.18Å; N91-T415 PolarHBondContact ND2-OG1 3.26Å | ||
| 92 | G | 89.6 | Confident | 94 | Very high | 13 Ų | 13 | 35.1 Ų | 35.1 | 13% | 0.134 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -78.9 | 4.2 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | R94 N118 | G92-R94 PolarHBondContact O-N 2.99Å; G92-N118 PolarHBondContact O-OD1 3.39Å; G92-N118 VanDerWaalsContact O-OD1 3.12Å |
| 93 | N | 92.6 | Very high | 93.9 | Very high | 12 Ų | 12 | 34.9 Ų | 34.9 | 6% | 0.064 | 23% | 0.23 | C | C | . | . | trans | -88.7 | 104.5 | -166.9 | -60.6 | -22.8 | 0 | 0 | 0 | 111.8 | P82 D83 N91 R414 D986 | P82-N93 CarbonylContact C-O 3.6Å; P82-N93 VanDerWaalsContact CA-O 3.23Å; P82-N93 WeakPolarHBondContact CA-O 3.23Å; D83-N93 HydrophobicContact CB-CB 4.16Å; D83-N93 PolarHBondContact N-O 3.03Å; N91-N93 VanDerWaalsContact C-N 3.27Å; N91-N93 PolarHBondContact O-N 3.03Å; N91-N93 WeakPolarHBondContact OD1-CB 3.3Å; N91-N93 PolarHBondContact OD1-N 3.05Å; N91-N93 PolarHBondContact OD1-ND2 3.18Å; N93-R414 HydrophobicContact CB-CB 4.24Å; N93-R414 WeakPolarHBondContact ND2-CB 3.49Å; N93-D986 PolarHBondContact OD1-OD1 3.07Å | ||
| 94 | R | 92.8 | Very high | 93.8 | Very high | 42 Ų | 42 | 35 Ų | 35 | 16% | 0.158 | 23% | 0.23 | C | C | . | . | trans | -137.6 | 68.3 | -175.8 | 49 | -169.2 | -162.5 | -112.3 | -3.6 | 109.9 | I80 G92 N116 M117 N118 L987 D988 | I80-R94 HydrophobicContact CD1-CB 3.97Å; I80-R94 WeakPolarHBondContact CD1-O 3.31Å; I80-R94 HydrophobicContact CG1-CB 4.25Å; G92-R94 PolarHBondContact O-N 2.99Å; R94-N116 WeakPolarHBondContact CD-O 3.34Å; R94-N116 WeakPolarHBondContact CG-O 3.14Å; R94-N116 PolarHBondContact NE-O 3.33Å; R94-M117 CarbonylContact O-C 3.6Å; R94-M117 VanDerWaalsContact O-CA 3.27Å; R94-M117 WeakPolarHBondContact O-CA 3.35Å; R94-N118 WeakPolarHBondContact CG-OD1 3.1Å; R94-N118 PolarHBondContact N-OD1 3.22Å; R94-N118 VanDerWaalsContact N-OD1 3.08Å; R94-N118 PolarHBondContact O-N 2.97Å; R94-N118 PolarHBondContact O-OD1 3.34Å; R94-L987 PolarHBondContact NH2-O 3.38Å; R94-D988 PolarHBondContact NH1-O 2.94Å | ||
| 95 | T | 93.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 25% | 0.245 | C | C | . | . | trans | -113 | -44.4 | 175.1 | -65.7 | 0 | 0 | 0 | 0 | 112.8 | M117 N118 Q120 F180 Y413 | T95-M117 HydrophobicContact CG2-CE 4.39Å; T95-M117 WeakPolarHBondContact O-CE 3.47Å; T95-N118 WeakPolarHBondContact OG1-CB 3.24Å; T95-Q120 HydrophobicContact CG2-CG 4.03Å; T95-Q120 VanDerWaalsContact CG2-NE2 3.28Å; T95-Q120 PolarHBondContact OG1-NE2 3.28Å; T95-F180 HydrophobicContact CG2-CD2 4.36Å; T95-F180 HydrophobicContact CG2-CE1 4.37Å; T95-F180 HydrophobicContact CG2-CE2 3.74Å; T95-F180 HydrophobicContact CG2-CZ 3.75Å; T95-F180 WeakPolarHBondContact O-CD2 3.48Å; T95-Y413 HydrophobicContact CG2-CD2 3.95Å; T95-Y413 HydrophobicContact CG2-CE1 4.4Å; T95-Y413 HydrophobicContact CG2-CE2 3.61Å | ||
| 96 | W | 96.2 | Very high | 93.5 | Very high | 6 Ų | 6 | 38 Ų | 38 | 2% | 0.023 | 25% | 0.248 | C | C | . | . | trans | -65.5 | 144.8 | -179 | -178.5 | -109 | 0 | 0 | 0 | 110.7 | S16 N18 I80 Y98 F180 C181 P183 T367 Y413 | S16-W96 PolarHBondContact O-NE1 3.31Å; N18-W96 PolarHBondContact ND2-O 3.44Å; I80-W96 WeakPolarHBondContact CD1-O 3.34Å; W96-Y98 HydrophobicContact CZ2-CD1 4.43Å; W96-Y98 HydrophobicContact CZ2-CG 4.49Å; W96-F180 HydrophobicContact CD2-CB 4.48Å; W96-F180 HydrophobicContact CE3-CB 3.85Å; W96-F180 HydrophobicContact CE3-CD1 4.03Å; W96-F180 HydrophobicContact CE3-CG 4.3Å; W96-F180 HydrophobicContact CZ3-CB 3.99Å; W96-F180 HydrophobicContact CZ3-CD1 4.15Å; W96-C181 WeakPolarHBondContact CH2-O 3.45Å; W96-P183 HydrophobicContact CH2-CB 4.21Å; W96-P183 HydrophobicContact CZ2-CB 4.25Å; W96-T367 HydrophobicContact CH2-CG2 3.68Å; W96-T367 HydrophobicContact CZ2-CG2 4.48Å; W96-T367 HydrophobicContact CZ3-CG2 3.76Å; W96-Y413 HydrophobicContact CB-CD2 4.21Å | ||
| 97 | F | 96.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 24% | 0.235 | C | C | . | . | trans | -145.4 | 140.5 | 164 | 65.5 | -100.2 | 0 | 0 | 0 | 111.5 | N18 I80 F99 I114 M117 P130 L162 F164 A179 F180 | N18-F97 VanDerWaalsContact OD1-CA 3.3Å; N18-F97 WeakPolarHBondContact OD1-CA 3.11Å; I80-F97 HydrophobicContact CG2-CB 3.7Å; F97-F99 HydrophobicContact CD2-CD1 4.34Å; F97-F99 HydrophobicContact CD2-CE1 4.03Å; F97-F99 HydrophobicContact CE2-CE1 4.45Å; F97-I114 HydrophobicContact CB-CD1 4.28Å; F97-I114 HydrophobicContact CD1-CD1 3.41Å; F97-I114 VanDerWaalsContact CD1-CD1 3.41Å; F97-I114 HydrophobicContact CD2-CD1 3.95Å; F97-I114 HydrophobicContact CE1-CD1 3.46Å; F97-I114 VanDerWaalsContact CE1-CD1 3.46Å; F97-I114 HydrophobicContact CE2-CD1 4.01Å; F97-I114 HydrophobicContact CG-CD1 3.64Å; F97-I114 HydrophobicContact CZ-CD1 3.75Å; F97-M117 HydrophobicContact CD1-SD 4.16Å; F97-M117 HydrophobicContact CE1-SD 4.1Å; F97-P130 HydrophobicContact CE2-CB 4.16Å; F97-P130 HydrophobicContact CZ-CB 3.72Å; F97-P130 HydrophobicContact CZ-CG 3.68Å; F97-L162 HydrophobicContact CE1-CD2 3.98Å; F97-L162 HydrophobicContact CZ-CD2 4.3Å; F97-F164 HydrophobicContact CE2-CE1 4.5Å; F97-F164 HydrophobicContact CZ-CE1 4.32Å; F97-A179 CarbonylContact O-C 3.57Å; F97-A179 VanDerWaalsContact O-CA 3.32Å; F97-A179 WeakPolarHBondContact O-CA 3.45Å; F97-F180 HydrophobicContact CD1-CB 3.86Å; F97-F180 HydrophobicContact CD1-CD2 4.07Å; F97-F180 HydrophobicContact CD1-CG 4.47Å; F97-F180 HydrophobicContact CE1-CB 3.97Å; F97-F180 AromaticContact CE1-CD2 3.84Å; F97-F180 HydrophobicContact CE1-CD2 3.84Å; F97-F180 HydrophobicContact CE1-CG 4.41Å; F97-F180 HydrophobicContact CG-CB 4.16Å; F97-F180 HydrophobicContact CZ-CB 4.35Å; F97-F180 PolarHBondContact O-N 2.64Å | ||
| 98 | Y | 97.9 | Very high | 93.5 | Very high | 17 Ų | 17 | 37.3 Ų | 37.3 | 7% | 0.067 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 125.3 | 170.7 | -171.9 | -166 | 0 | 0 | 0 | 109.2 | F14 S16 G17 N18 W96 W144 Y177 F178 A179 P183 T185 | F14-Y98 HydrophobicContact CD2-CD1 4.44Å; F14-Y98 HydrophobicContact CD2-CE1 4.24Å; F14-Y98 AromaticContact CE2-CD1 3.8Å; F14-Y98 HydrophobicContact CE2-CD1 3.8Å; F14-Y98 AromaticContact CE2-CD2 3.94Å; F14-Y98 HydrophobicContact CE2-CD2 3.94Å; F14-Y98 AromaticContact CE2-CE1 3.77Å; F14-Y98 HydrophobicContact CE2-CE1 3.77Å; F14-Y98 AromaticContact CE2-CE2 3.89Å; F14-Y98 HydrophobicContact CE2-CE2 3.89Å; F14-Y98 AromaticContact CE2-CG 3.89Å; F14-Y98 HydrophobicContact CE2-CG 3.89Å; F14-Y98 AromaticContact CE2-CZ 3.82Å; F14-Y98 HydrophobicContact CZ-CD2 4.31Å; F14-Y98 HydrophobicContact CZ-CE2 4.29Å; S16-Y98 WeakPolarHBondContact O-CB 3.4Å; G17-Y98 WeakPolarHBondContact CA-O 3.32Å; N18-Y98 PolarHBondContact N-O 2.8Å; N18-Y98 PolarHBondContact OD1-N 2.67Å; W96-Y98 HydrophobicContact CZ2-CD1 4.43Å; W96-Y98 HydrophobicContact CZ2-CG 4.49Å; Y98-W144 HydrophobicContact CD2-CH2 4.43Å; Y98-W144 AromaticContact CE2-CH2 3.7Å; Y98-W144 HydrophobicContact CE2-CH2 3.7Å; Y98-W144 HydrophobicContact CE2-CZ2 4.06Å; Y98-Y177 AromaticContact CE2-CD1 3.8Å; Y98-Y177 HydrophobicContact CE2-CD1 3.8Å; Y98-Y177 HydrophobicContact CE2-CG 4.47Å; Y98-F178 WeakPolarHBondContact CA-O 3.4Å; Y98-F178 WeakPolarHBondContact CD2-O 3.26Å; Y98-A179 HydrophobicContact CD2-CB 3.87Å; Y98-A179 HydrophobicContact CE2-CB 4.41Å; Y98-A179 HydrophobicContact CG-CB 4.29Å; Y98-P183 HydrophobicContact CD1-CB 4.37Å; Y98-P183 HydrophobicContact CE1-CB 4.05Å; Y98-P183 HydrophobicContact CE1-CG 4.27Å; Y98-T185 HydrophobicContact CE1-CG2 4.04Å |
| 99 | F | 97.7 | Very high | 93.5 | Very high | 1 Ų | 1 | 33.7 Ų | 33.7 | 0% | 0.004 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 174.8 | 177.8 | 64.7 | -90.2 | 0 | 0 | 0 | 111 | F10 S11 L19 M78 F97 M101 F164 Y177 F178 | F10-F99 HydrophobicContact CD1-CD2 4.41Å; S11-F99 CarbonylContact O-C 3.55Å; S11-F99 WeakPolarHBondContact O-CA 3.44Å; L19-F99 HydrophobicContact CB-CB 4.14Å; L19-F99 HydrophobicContact CD1-CD1 4.44Å; L19-F99 HydrophobicContact CD2-CB 3.89Å; L19-F99 HydrophobicContact CD2-CD2 4.41Å; L19-F99 HydrophobicContact CD2-CG 4.07Å; M78-F99 HydrophobicContact CE-CD1 4.25Å; M78-F99 HydrophobicContact CE-CD2 3.97Å; M78-F99 HydrophobicContact CE-CE1 3.86Å; M78-F99 HydrophobicContact CE-CE2 3.56Å; M78-F99 HydrophobicContact CE-CG 4.3Å; M78-F99 HydrophobicContact CE-CZ 3.49Å; M78-F99 VanDerWaalsContact CE-CZ 3.49Å; M78-F99 HydrophobicContact SD-CE1 4.41Å; M78-F99 HydrophobicContact SD-CE2 4.37Å; M78-F99 HydrophobicContact SD-CZ 3.9Å; F97-F99 HydrophobicContact CD2-CD1 4.34Å; F97-F99 HydrophobicContact CD2-CE1 4.03Å; F97-F99 HydrophobicContact CE2-CE1 4.45Å; F99-M101 HydrophobicContact CD2-CG 4.12Å; F99-M101 HydrophobicContact CE2-CG 3.96Å; F99-M101 HydrophobicContact CE2-SD 3.96Å; F99-F164 HydrophobicContact CZ-CZ 4.22Å; F99-Y177 CarbonylContact O-C 3.52Å; F99-Y177 WeakPolarHBondContact O-CA 2.84Å; F99-F178 HydrophobicContact CD1-CB 4.39Å; F99-F178 HydrophobicContact CD2-CB 4.34Å; F99-F178 HydrophobicContact CD2-CD2 4.21Å; F99-F178 HydrophobicContact CE1-CB 3.9Å; F99-F178 HydrophobicContact CE2-CB 3.83Å; F99-F178 AromaticContact CE2-CD2 3.53Å; F99-F178 HydrophobicContact CE2-CD2 3.53Å; F99-F178 HydrophobicContact CE2-CE2 4.41Å; F99-F178 AromaticContact CE2-CG 3.95Å; F99-F178 HydrophobicContact CE2-CG 3.95Å; F99-F178 HydrophobicContact CZ-CB 3.6Å; F99-F178 HydrophobicContact CZ-CD2 4.01Å; F99-F178 AromaticContact CZ-CG 3.96Å; F99-F178 HydrophobicContact CZ-CG 3.96Å; F99-F178 PolarHBondContact N-O 2.96Å; F99-F178 PolarHBondContact O-N 2.84Å |
| 100 | S | 97 | Very high | 93.6 | Very high | 9 Ų | 9 | 30 Ų | 30 | 6% | 0.063 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 157 | 177.4 | 66.3 | 0 | 0 | 0 | 0 | 111.2 | F10 S11 T176 | F10-S100 WeakPolarHBondContact CA-O 3.3Å; S11-S100 WeakPolarHBondContact CB-OG 3.21Å; S11-S100 PolarHBondContact N-O 3.15Å; S11-S100 PolarHBondContact O-N 2.8Å; S11-S100 PolarHBondContact O-OG 2.85Å; S11-S100 VanDerWaalsContact O-OG 3.04Å; S100-T176 CarbonylContact C-O 3.59Å; S100-T176 WeakPolarHBondContact CA-O 3.32Å |
| 101 | M | 95.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 139.3 | 178.3 | -64.6 | -177.2 | 62.8 | 0 | 0 | 110 | I8 L9 F10 F76 F99 M110 F168 I175 T176 F178 | I8-M101 HydrophobicContact CG2-CE 3.67Å; L9-M101 WeakPolarHBondContact O-CA 3.37Å; F10-M101 HydrophobicContact CD1-CE 4.32Å; F10-M101 HydrophobicContact CD1-CG 3.68Å; F10-M101 HydrophobicContact CD1-SD 4.09Å; F10-M101 HydrophobicContact CE1-CE 3.48Å; F10-M101 VanDerWaalsContact CE1-CE 3.48Å; F10-M101 HydrophobicContact CE1-CG 3.7Å; F10-M101 HydrophobicContact CE1-SD 3.46Å; F10-M101 WeakPolarHBondContact CE1-SD 3.34Å; F10-M101 HydrophobicContact CE2-CE 4.26Å; F10-M101 HydrophobicContact CG-CG 4.47Å; F10-M101 HydrophobicContact CZ-CE 3.43Å; F10-M101 VanDerWaalsContact CZ-CE 3.43Å; F10-M101 HydrophobicContact CZ-CG 4.48Å; F10-M101 HydrophobicContact CZ-SD 4.08Å; F76-M101 HydrophobicContact CE2-CE 3.98Å; F99-M101 HydrophobicContact CD2-CG 4.12Å; F99-M101 HydrophobicContact CE2-CG 3.96Å; F99-M101 HydrophobicContact CE2-SD 3.96Å; M101-M110 HydrophobicContact CE-SD 3.46Å; M101-M110 WeakPolarHBondContact CE-SD 3.43Å; M101-M110 HydrophobicContact SD-CE 3.82Å; M101-M110 HydrophobicContact SD-SD 3.36Å; M101-F168 HydrophobicContact CE-CZ 4.09Å; M101-F168 HydrophobicContact SD-CZ 4.33Å; M101-I175 CarbonylContact O-C 3.46Å; M101-I175 WeakPolarHBondContact O-CA 3.35Å; M101-T176 PolarHBondContact N-O 2.78Å; M101-T176 PolarHBondContact O-N 2.86Å; M101-F178 HydrophobicContact CB-CE2 4.41Å; M101-F178 HydrophobicContact CG-CD2 4.35Å; M101-F178 HydrophobicContact CG-CE2 4.16Å; M101-F178 HydrophobicContact SD-CD2 4.21Å; M101-F178 HydrophobicContact SD-CE2 3.73Å |
| 102 | R | 94.4 | Very high | 94 | Very high | 119 Ų | 119 | 27.4 Ų | 27.4 | 45% | 0.449 | 16% | 0.158 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 161.8 | 170.3 | 65.8 | 176.1 | 179.4 | 176.3 | -4.5 | 111.2 | I8 L9 I175 | I8-R102 CarbonylContact C-O 3.59Å; I8-R102 WeakPolarHBondContact CA-O 3.34Å; L9-R102 HydrophobicContact CB-CG 4.02Å; L9-R102 HydrophobicContact CD2-CG 4.43Å; L9-R102 VanDerWaalsContact CD2-NE 3.33Å; L9-R102 PolarHBondContact N-O 3.11Å; L9-R102 PolarHBondContact O-N 3.11Å; R102-I175 HydrophobicContact CB-CB 4.44Å; R102-I175 HydrophobicContact CB-CG1 4.01Å; R102-I175 HydrophobicContact CB-CG2 4.44Å |
| 103 | G | 93.3 | Very high | 94.3 | Very high | 32 Ų | 32 | 27.7 Ų | 27.7 | 33% | 0.33 | 16% | 0.157 | S | C | . | . | trans | 82.3 | 15.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | S7 | S7-G103 CarbonylContact C-O 3.57Å; S7-G103 WeakPolarHBondContact CB-O 3.33Å; S7-G103 PolarHBondContact OG-O 3.3Å | ||
| 104 | Y | 93.6 | Very high | 94.5 | Very high | 5 Ų | 5 | 27.2 Ų | 27.2 | 2% | 0.02 | 15% | 0.154 | C | C | . | . | P | Polyproline II helix | trans | -72.1 | 157.7 | 160.4 | 51.7 | -104.5 | 0 | 0 | 0 | 110.2 | F168 D170 S174 T176 | Y104-F168 AromaticContact CD1-CD1 3.7Å; Y104-F168 HydrophobicContact CD1-CD1 3.7Å; Y104-F168 HydrophobicContact CD1-CD2 4.26Å; Y104-F168 AromaticContact CD1-CE1 3.54Å; Y104-F168 HydrophobicContact CD1-CE1 3.54Å; Y104-F168 HydrophobicContact CD1-CE2 4.11Å; Y104-F168 HydrophobicContact CD1-CG 4.07Å; Y104-F168 AromaticContact CD1-CZ 3.77Å; Y104-F168 HydrophobicContact CD1-CZ 3.77Å; Y104-F168 HydrophobicContact CD2-CB 3.64Å; Y104-F168 AromaticContact CD2-CD1 3.83Å; Y104-F168 HydrophobicContact CD2-CD1 3.83Å; Y104-F168 HydrophobicContact CD2-CD2 4.04Å; Y104-F168 HydrophobicContact CD2-CE1 4.49Å; Y104-F168 AromaticContact CD2-CG 3.58Å; Y104-F168 HydrophobicContact CD2-CG 3.58Å; Y104-F168 AromaticContact CE1-CD1 3.63Å; Y104-F168 HydrophobicContact CE1-CD1 3.63Å; Y104-F168 AromaticContact CE1-CE1 3.6Å; Y104-F168 HydrophobicContact CE1-CE1 3.6Å; Y104-F168 HydrophobicContact CE1-CG 4.35Å; Y104-F168 HydrophobicContact CE1-CZ 4.29Å; Y104-F168 HydrophobicContact CE2-CB 3.85Å; Y104-F168 AromaticContact CE2-CD1 3.8Å; Y104-F168 HydrophobicContact CE2-CD1 3.8Å; Y104-F168 AromaticContact CE2-CG 3.92Å; Y104-F168 HydrophobicContact CE2-CG 3.92Å; Y104-F168 HydrophobicContact CG-CB 4.26Å; Y104-F168 AromaticContact CG-CD1 3.8Å; Y104-F168 HydrophobicContact CG-CD1 3.8Å; Y104-F168 AromaticContact CG-CD2 3.77Å; Y104-F168 HydrophobicContact CG-CD2 3.77Å; Y104-F168 HydrophobicContact CG-CE1 4.02Å; Y104-F168 AromaticContact CG-CE2 3.97Å; Y104-F168 HydrophobicContact CG-CE2 3.97Å; Y104-F168 AromaticContact CG-CG 3.68Å; Y104-F168 HydrophobicContact CG-CG 3.68Å; Y104-F168 HydrophobicContact CG-CZ 4.11Å; Y104-F168 AromaticContact CZ-CD1 3.69Å; Y104-D170 HydrophobicContact CE2-CB 4.42Å; Y104-D170 PolarHBondContact OH-OD2 3.19Å; Y104-D170 VanDerWaalsContact OH-OD2 3.13Å; Y104-S174 WeakPolarHBondContact OH-CB 3.2Å; Y104-S174 PolarHBondContact OH-O 3.49Å; Y104-T176 WeakPolarHBondContact CE1-OG1 3.42Å; Y104-T176 PolarHBondContact OH-OG1 2.78Å |
| 105 | S | 91.4 | Very high | 94.6 | Very high | 50 Ų | 50 | 26.4 Ų | 26.4 | 35% | 0.35 | 15% | 0.153 | S | C | . | . | P | Polyproline II helix | trans | -89.6 | 142.9 | 169.9 | -55 | 0 | 0 | 0 | 0 | 110.5 | Y74 K108 | Y74-S105 PolarHBondContact OH-N 3.34Å; S105-K108 VanDerWaalsContact O-CB 3.28Å; S105-K108 WeakPolarHBondContact O-CB 3.15Å; S105-K108 VanDerWaalsContact O-CG 3.3Å; S105-K108 WeakPolarHBondContact O-CG 3.33Å; S105-K108 PolarHBondContact O-N 2.68Å |
| 106 | P | 90.8 | Very high | 94.5 | Very high | 60 Ų | 60 | 27.4 Ų | 27.4 | 39% | 0.39 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | 152.4 | 173.5 | -24.5 | 34.6 | 0 | 0 | 0 | 112.9 | K108 D170 R172 | P106-K108 PolarHBondContact O-N 3.39Å; P106-D170 WeakPolarHBondContact CB-O 3.34Å; P106-D170 VanDerWaalsContact CG-O 3.3Å; P106-D170 WeakPolarHBondContact CG-O 3.44Å; P106-R172 HydrophobicContact CG-CB 4.02Å |
| 107 | G | 89.3 | Confident | 94.4 | Very high | 60 Ų | 60 | 27.2 Ų | 27.2 | 62% | 0.619 | 16% | 0.157 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 76.5 | -11.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | F168 | G107-F168 WeakPolarHBondContact CA-O 3.38Å; G107-F168 PolarHBondContact N-O 3.15Å |
| 108 | K | 92.1 | Very high | 94.1 | Very high | 79 Ų | 79 | 27.2 Ų | 27.2 | 34% | 0.343 | 16% | 0.157 | S | C | . | . | P | Polyproline II helix | trans | -80.3 | 148.6 | -172.6 | -64.5 | -68.9 | 175.8 | -171.4 | 0 | 113.7 | D73 Y74 S105 P106 F168 | D73-K108 HydrophobicContact CB-CB 4.16Å; D73-K108 HydrophobicContact CB-CD 3.66Å; D73-K108 HydrophobicContact CB-CG 4.45Å; D73-K108 WeakPolarHBondContact OD1-CD 3.17Å; D73-K108 WeakPolarHBondContact OD1-CE 3.17Å; D73-K108 IonicContact OD1-NZ 3.78Å; D73-K108 PolarHBondContact OD1-NZ 2.85Å; D73-K108 WeakPolarHBondContact OD2-CA 3.3Å; D73-K108 WeakPolarHBondContact OD2-CD 3.39Å; Y74-K108 HydrophobicContact CD2-CB 4.1Å; Y74-K108 HydrophobicContact CE2-CB 3.45Å; Y74-K108 VanDerWaalsContact CE2-CB 3.45Å; Y74-K108 HydrophobicContact CE2-CG 4.03Å; S105-K108 VanDerWaalsContact O-CB 3.28Å; S105-K108 WeakPolarHBondContact O-CB 3.15Å; S105-K108 VanDerWaalsContact O-CG 3.3Å; S105-K108 WeakPolarHBondContact O-CG 3.33Å; S105-K108 PolarHBondContact O-N 2.68Å; P106-K108 PolarHBondContact O-N 3.39Å; K108-F168 PolarHBondContact O-N 3.02Å |
| 109 | I | 93.1 | Very high | 93.8 | Very high | 28 Ų | 28 | 31 Ų | 31 | 14% | 0.144 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 125.8 | -178.1 | -51.5 | -172 | 0 | 0 | 0 | 110.3 | V70 A72 D73 Y74 I165 R167 | V70-I109 HydrophobicContact CG1-CD1 3.85Å; V70-I109 HydrophobicContact CG1-CG2 3.91Å; A72-I109 HydrophobicContact CB-CG2 4.46Å; D73-I109 PolarHBondContact N-O 3.42Å; D73-I109 PolarHBondContact OD2-N 2.74Å; Y74-I109 PolarHBondContact N-O 3.17Å; I109-I165 HydrophobicContact CG2-CG2 3.56Å; I109-R167 HydrophobicContact CD1-CG 4.31Å; I109-R167 HydrophobicContact CG1-CG 4.03Å; I109-R167 HydrophobicContact CG2-CG 4.43Å |
| 110 | M | 94.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 136.6 | 168.5 | 176.7 | 179.5 | 68.1 | 0 | 0 | 111.4 | Y74 F76 M101 A112 F164 I165 H166 F168 F178 | Y74-M110 CarbonylContact O-C 3.56Å; Y74-M110 VanDerWaalsContact O-CA 3.31Å; Y74-M110 WeakPolarHBondContact O-CA 3.25Å; F76-M110 HydrophobicContact CD2-CG 3.96Å; F76-M110 HydrophobicContact CD2-SD 3.89Å; F76-M110 HydrophobicContact CE2-CG 4.22Å; F76-M110 HydrophobicContact CE2-SD 4.14Å; M101-M110 HydrophobicContact CE-SD 3.46Å; M101-M110 WeakPolarHBondContact CE-SD 3.43Å; M101-M110 HydrophobicContact SD-CE 3.82Å; M101-M110 HydrophobicContact SD-SD 3.36Å; M110-A112 HydrophobicContact CE-CB 4.03Å; M110-A112 HydrophobicContact CG-CB 4.28Å; M110-A112 HydrophobicContact SD-CB 4.07Å; M110-F164 HydrophobicContact CE-CE2 4.12Å; M110-I165 CarbonylContact O-C 3.52Å; M110-I165 VanDerWaalsContact O-CA 3.23Å; M110-I165 WeakPolarHBondContact O-CA 3.47Å; M110-H166 HydrophobicContact CE-CB 4.2Å; M110-H166 PolarHBondContact N-O 3.3Å; M110-H166 PolarHBondContact O-N 2.8Å; M110-F168 HydrophobicContact CB-CE2 3.75Å; M110-F168 HydrophobicContact CB-CZ 4.16Å; M110-F168 HydrophobicContact CE-CZ 4.22Å; M110-F168 HydrophobicContact SD-CZ 4.22Å; M110-F178 HydrophobicContact CE-CE1 4.06Å; M110-F178 HydrophobicContact CE-CE2 3.95Å; M110-F178 HydrophobicContact CE-CZ 3.58Å |
| 111 | R | 95.2 | Very high | 93 | Very high | 43 Ų | 43 | 31.5 Ų | 31.5 | 16% | 0.162 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 120 | 158.6 | 175.9 | 158.5 | 68.5 | -156.3 | 7.1 | 108.8 | A68 A72 Y74 E75 F76 T163 I165 | A68-R111 PolarHBondContact O-NH1 2.8Å; A72-R111 HydrophobicContact CB-CB 3.63Å; Y74-R111 PolarHBondContact O-N 3.38Å; E75-R111 WeakPolarHBondContact CA-O 3.29Å; E75-R111 VanDerWaalsContact CD-NE 3.31Å; E75-R111 HydrophobicContact CG-CB 4.25Å; E75-R111 HydrophobicContact CG-CG 4.37Å; E75-R111 IonicContact OE1-CZ 3.62Å; E75-R111 IonicContact OE1-NE 3.65Å; E75-R111 PolarHBondContact OE1-NE 3.15Å; E75-R111 IonicContact OE1-NH2 2.67Å; E75-R111 PolarHBondContact OE1-NH2 3.33Å; E75-R111 IonicContact OE2-CZ 3.17Å; E75-R111 IonicContact OE2-NE 2.82Å; E75-R111 IonicContact OE2-NH2 3.44Å; E75-R111 PolarHBondContact OE2-NH2 3.15Å; F76-R111 PolarHBondContact N-O 2.71Å; R111-T163 HydrophobicContact CG-CG2 3.83Å; R111-I165 HydrophobicContact CB-CG1 4.19Å; R111-I165 HydrophobicContact CG-CG1 4.41Å |
| 112 | A | 96.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 125.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | M78 M110 T163 F164 | M78-A112 HydrophobicContact SD-CB 3.89Å; M110-A112 HydrophobicContact CE-CB 4.03Å; M110-A112 HydrophobicContact CG-CB 4.28Å; M110-A112 HydrophobicContact SD-CB 4.07Å; A112-T163 WeakPolarHBondContact O-CA 3.36Å; A112-F164 HydrophobicContact CB-CD2 4.31Å; A112-F164 HydrophobicContact CB-CE1 4.35Å; A112-F164 HydrophobicContact CB-CE2 3.88Å; A112-F164 HydrophobicContact CB-CZ 3.9Å; A112-F164 PolarHBondContact N-O 3.06Å; A112-F164 PolarHBondContact O-N 2.94Å |
| 113 | T | 96.4 | Very high | 92.4 | Very high | 19 Ų | 19 | 31 Ų | 31 | 12% | 0.117 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 112.6 | 177.2 | -56.5 | 0 | 0 | 0 | 0 | 110.1 | F76 M78 M115 L161 L162 T163 | F76-T113 PolarHBondContact O-N 3.43Å; M78-T113 PolarHBondContact N-O 3.45Å; T113-M115 HydrophobicContact CG2-SD 3.57Å; T113-M115 VanDerWaalsContact CG2-SD 3.57Å; T113-M115 PolarHBondContact O-N 2.85Å; T113-L161 HydrophobicContact CG2-CB 4.24Å; T113-L161 HydrophobicContact CG2-CD2 4.36Å; T113-L162 CarbonylContact C-O 3.46Å; T113-L162 VanDerWaalsContact CA-O 3.29Å; T113-L162 WeakPolarHBondContact CA-O 3.26Å; T113-T163 VanDerWaalsContact CG2-OG1 3.31Å; T113-T163 WeakPolarHBondContact CG2-OG1 3.41Å; T113-T163 PolarHBondContact OG1-OG1 2.9Å |
| 114 | I | 96.5 | Very high | 92.2 | Very high | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 113.8 | 170.3 | -51 | -179 | 0 | 0 | 0 | 107.8 | M78 I80 F97 M117 L161 L162 F164 | M78-I114 HydrophobicContact CB-CG1 4.43Å; M78-I114 CarbonylContact O-C 3.59Å; M78-I114 WeakPolarHBondContact O-CA 3.39Å; I80-I114 HydrophobicContact CG1-CG2 4.21Å; I80-I114 HydrophobicContact CG2-CG2 3.99Å; F97-I114 HydrophobicContact CB-CD1 4.28Å; F97-I114 HydrophobicContact CD1-CD1 3.41Å; F97-I114 VanDerWaalsContact CD1-CD1 3.41Å; F97-I114 HydrophobicContact CD2-CD1 3.95Å; F97-I114 HydrophobicContact CE1-CD1 3.46Å; F97-I114 VanDerWaalsContact CE1-CD1 3.46Å; F97-I114 HydrophobicContact CE2-CD1 4.01Å; F97-I114 HydrophobicContact CG-CD1 3.64Å; F97-I114 HydrophobicContact CZ-CD1 3.75Å; I114-M117 HydrophobicContact CB-CG 4.37Å; I114-M117 HydrophobicContact CB-SD 4.38Å; I114-M117 HydrophobicContact CD1-SD 4.36Å; I114-M117 HydrophobicContact CG2-CG 3.75Å; I114-M117 HydrophobicContact CG2-SD 4.28Å; I114-L161 WeakPolarHBondContact O-CA 3.23Å; I114-L162 PolarHBondContact N-O 3.13Å; I114-L162 PolarHBondContact O-N 3.03Å; I114-F164 HydrophobicContact CD1-CE1 4.13Å; I114-F164 HydrophobicContact CG1-CE1 4.29Å |
| 115 | M | 94.3 | Very high | 91.9 | Very high | 25 Ų | 25 | 33.1 Ų | 33.1 | 12% | 0.123 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | -31.3 | -164.7 | -60.8 | -60 | -57.4 | 0 | 0 | 113.8 | R77 M78 W79 T113 L161 | R77-M115 HydrophobicContact CB-CG 3.91Å; R77-M115 HydrophobicContact CB-SD 3.9Å; R77-M115 HydrophobicContact CG-CG 4.42Å; R77-M115 HydrophobicContact CG-SD 3.74Å; M78-M115 PolarHBondContact O-N 3.26Å; W79-M115 HydrophobicContact CD2-CB 4.28Å; W79-M115 HydrophobicContact CD2-CG 4.18Å; W79-M115 HydrophobicContact CG-CB 4.41Å; W79-M115 HydrophobicContact CH2-CG 4.16Å; W79-M115 HydrophobicContact CZ2-CB 4.22Å; W79-M115 HydrophobicContact CZ2-CG 3.73Å; T113-M115 HydrophobicContact CG2-SD 3.57Å; T113-M115 VanDerWaalsContact CG2-SD 3.57Å; T113-M115 PolarHBondContact O-N 2.85Å; M115-L161 HydrophobicContact CE-CD2 3.65Å; M115-L161 HydrophobicContact CE-CG 4.18Å; M115-L161 HydrophobicContact SD-CD2 4.26Å |
| 116 | N | 93.1 | Very high | 91.5 | Very high | 22 Ų | 22 | 32.1 Ų | 32.1 | 12% | 0.118 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 34.8 | -164.8 | 71.7 | -36.6 | 0 | 0 | 0 | 113.5 | W79 I80 R94 | W79-N116 VanDerWaalsContact CA-OD1 3.31Å; W79-N116 WeakPolarHBondContact CA-OD1 3.29Å; I80-N116 WeakPolarHBondContact CG1-OD1 3.4Å; I80-N116 PolarHBondContact N-OD1 2.99Å; I80-N116 PolarHBondContact O-ND2 3.48Å; R94-N116 WeakPolarHBondContact CD-O 3.34Å; R94-N116 WeakPolarHBondContact CG-O 3.14Å; R94-N116 PolarHBondContact NE-O 3.33Å |
| 117 | M | 93 | Very high | 91.3 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 158 | 177.6 | -83.7 | -173.6 | 69.2 | 0 | 0 | 112.5 | I80 R94 T95 F97 I114 Q120 Y124 F160 L162 F180 | I80-M117 HydrophobicContact CD1-CG 3.94Å; R94-M117 CarbonylContact O-C 3.6Å; R94-M117 VanDerWaalsContact O-CA 3.27Å; R94-M117 WeakPolarHBondContact O-CA 3.35Å; T95-M117 HydrophobicContact CG2-CE 4.39Å; T95-M117 WeakPolarHBondContact O-CE 3.47Å; F97-M117 HydrophobicContact CD1-SD 4.16Å; F97-M117 HydrophobicContact CE1-SD 4.1Å; I114-M117 HydrophobicContact CB-CG 4.37Å; I114-M117 HydrophobicContact CB-SD 4.38Å; I114-M117 HydrophobicContact CD1-SD 4.36Å; I114-M117 HydrophobicContact CG2-CG 3.75Å; I114-M117 HydrophobicContact CG2-SD 4.28Å; M117-Q120 HydrophobicContact CE-CG 4.19Å; M117-Y124 HydrophobicContact CE-CE2 4.44Å; M117-F160 HydrophobicContact CB-CD1 3.86Å; M117-F160 PolarHBondContact N-O 3.42Å; M117-F160 WeakPolarHBondContact O-CB 3.42Å; M117-L162 HydrophobicContact SD-CB 4.01Å; M117-L162 HydrophobicContact SD-CD2 3.77Å; M117-F180 HydrophobicContact CE-CD2 4.14Å; M117-F180 HydrophobicContact CE-CE2 3.96Å |
| 118 | N | 91.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.138 | C | C | . | . | trans | -66 | 155.7 | 162.5 | -68.8 | 16.5 | 0 | 0 | 0 | 109.8 | G92 R94 T95 Q120 F160 S985 L987 | G92-N118 PolarHBondContact O-OD1 3.39Å; G92-N118 VanDerWaalsContact O-OD1 3.12Å; R94-N118 WeakPolarHBondContact CG-OD1 3.1Å; R94-N118 PolarHBondContact N-OD1 3.22Å; R94-N118 VanDerWaalsContact N-OD1 3.08Å; R94-N118 PolarHBondContact O-N 2.97Å; R94-N118 PolarHBondContact O-OD1 3.34Å; T95-N118 WeakPolarHBondContact OG1-CB 3.24Å; N118-Q120 WeakPolarHBondContact O-CG 3.48Å; N118-Q120 PolarHBondContact O-N 3.45Å; N118-F160 WeakPolarHBondContact O-CD1 3.35Å; N118-S985 VanDerWaalsContact CB-O 3.22Å; N118-S985 WeakPolarHBondContact CB-O 3.5Å; N118-S985 PolarHBondContact ND2-O 3.27Å; N118-L987 WeakPolarHBondContact CA-O 3.33Å; N118-L987 PolarHBondContact OD1-O 3.17Å | ||
| 119 | K | 91.1 | Very high | 91.5 | Very high | 96 Ų | 96 | 23.4 Ų | 23.4 | 42% | 0.417 | 12% | 0.122 | S | C | . | . | trans | -63.4 | 100.3 | 178.7 | -176.3 | 171.7 | 178.5 | 167.1 | 0 | 112.1 | L155 F160 S985 L987 | K119-L155 HydrophobicContact CD-CD1 4.36Å; K119-L155 HydrophobicContact CD-CD2 4.33Å; K119-L155 HydrophobicContact CG-CD2 4.34Å; K119-F160 HydrophobicContact CG-CD2 4.36Å; K119-S985 WeakPolarHBondContact O-CB 3.37Å; K119-S985 PolarHBondContact O-OG 3.21Å; K119-L987 HydrophobicContact CB-CD1 3.77Å; K119-L987 HydrophobicContact CD-CD1 4.02Å | ||
| 120 | Q | 88.9 | Confident | 91.6 | Very high | 4 Ų | 4 | 22.1 Ų | 22.1 | 2% | 0.019 | 12% | 0.115 | C | C | . | . | trans | -108.2 | 19.9 | 177.6 | -65.2 | -61.8 | -9.6 | 0 | 0 | 112.9 | T95 M117 N118 K122 I123 Y124 F160 S985 C1095 | T95-Q120 HydrophobicContact CG2-CG 4.03Å; T95-Q120 VanDerWaalsContact CG2-NE2 3.28Å; T95-Q120 PolarHBondContact OG1-NE2 3.28Å; M117-Q120 HydrophobicContact CE-CG 4.19Å; N118-Q120 WeakPolarHBondContact O-CG 3.48Å; N118-Q120 PolarHBondContact O-N 3.45Å; Q120-K122 PolarHBondContact O-N 2.94Å; Q120-I123 HydrophobicContact CB-CG2 4.19Å; Q120-I123 WeakPolarHBondContact O-CG2 3.37Å; Q120-I123 PolarHBondContact O-N 2.65Å; Q120-Y124 HydrophobicContact CB-CD2 3.88Å; Q120-Y124 HydrophobicContact CB-CE2 3.76Å; Q120-Y124 WeakPolarHBondContact O-CD2 3.18Å; Q120-Y124 PolarHBondContact O-N 3.4Å; Q120-F160 HydrophobicContact CB-CE1 4.21Å; Q120-F160 HydrophobicContact CB-CZ 4.25Å; Q120-S985 PolarHBondContact NE2-OG 3.17Å; Q120-S985 VanDerWaalsContact NE2-OG 3.14Å; Q120-S985 PolarHBondContact OE1-OG 2.93Å; Q120-C1095 VanDerWaalsContact OE1-CB 3.24Å; Q120-C1095 PolarHBondContact OE1-SG 2.82Å | ||
| 121 | S | 88.2 | Confident | 91.7 | Very high | 17 Ų | 17 | 22.1 Ų | 22.1 | 12% | 0.119 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -44.9 | -37.3 | -176.6 | -53.6 | 0 | 0 | 0 | 0 | 114.4 | I123 S125 W153 F160 | S121-I123 PolarHBondContact O-N 3.36Å; S121-S125 VanDerWaalsContact O-CB 3.27Å; S121-S125 WeakPolarHBondContact O-CB 3.22Å; S121-S125 PolarHBondContact O-N 2.86Å; S121-S125 PolarHBondContact O-OG 2.95Å; S121-S125 VanDerWaalsContact O-OG 3.13Å; S121-W153 VanDerWaalsContact CB-CH2 3.48Å; S121-W153 WeakPolarHBondContact OG-CH2 3.36Å; S121-W153 WeakPolarHBondContact OG-CZ3 3.49Å; S121-F160 VanDerWaalsContact N-CE2 3.29Å; S121-F160 WeakPolarHBondContact OG-CE2 3.43Å |
| 122 | K | 87.6 | Confident | 91.7 | Very high | 108 Ų | 108 | 21 Ų | 21 | 47% | 0.47 | 11% | 0.111 | S | C | . | . | H | α-helix | trans | -69.5 | -30 | -176.6 | -163.5 | 179.1 | -176.4 | -159.8 | 0 | 113.7 | Q120 S125 Q126 S1096 | Q120-K122 PolarHBondContact O-N 2.94Å; K122-S125 PolarHBondContact O-OG 3.22Å; K122-Q126 VanDerWaalsContact O-CD 3.29Å; K122-Q126 VanDerWaalsContact O-CG 3.23Å; K122-Q126 WeakPolarHBondContact O-CG 3.4Å; K122-Q126 PolarHBondContact O-NE2 3.19Å; K122-S1096 VanDerWaalsContact CD-O 3.29Å; K122-S1096 WeakPolarHBondContact CD-O 3.46Å; K122-S1096 WeakPolarHBondContact CE-O 3.48Å; K122-S1096 PolarHBondContact NZ-O 3.21Å |
| 123 | I | 89.6 | Confident | 91.7 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -85.4 | -39.2 | 179.1 | -147.8 | -171 | 0 | 0 | 0 | 111 | Q120 S121 Q126 F128 C1095 Y1177 N1178 | Q120-I123 HydrophobicContact CB-CG2 4.19Å; Q120-I123 WeakPolarHBondContact O-CG2 3.37Å; Q120-I123 PolarHBondContact O-N 2.65Å; S121-I123 PolarHBondContact O-N 3.36Å; I123-Q126 WeakPolarHBondContact O-CB 2.93Å; I123-Q126 PolarHBondContact O-N 3.02Å; I123-Q126 VanDerWaalsContact O-N 3.12Å; I123-F128 HydrophobicContact CB-CB 4.36Å; I123-F128 HydrophobicContact CD1-CB 4.28Å; I123-F128 HydrophobicContact CD1-CD1 4.13Å; I123-F128 HydrophobicContact CD1-CD2 4.08Å; I123-F128 HydrophobicContact CD1-CE1 4.44Å; I123-F128 HydrophobicContact CD1-CE2 4.37Å; I123-F128 HydrophobicContact CD1-CG 3.92Å; I123-F128 HydrophobicContact CG1-CB 3.96Å; I123-F128 HydrophobicContact CG1-CG 4.16Å; I123-F128 HydrophobicContact CG2-CB 4.04Å; I123-F128 HydrophobicContact CG2-CD1 3.69Å; I123-F128 HydrophobicContact CG2-CE1 4.41Å; I123-F128 HydrophobicContact CG2-CG 4.1Å; I123-F128 WeakPolarHBondContact O-CB 3.38Å; I123-F128 PolarHBondContact O-N 2.98Å; I123-C1095 HydrophobicContact CB-CB 4.08Å; I123-C1095 WeakPolarHBondContact CB-O 3.36Å; I123-C1095 HydrophobicContact CD1-CB 4.02Å; I123-C1095 HydrophobicContact CG1-CB 4.34Å; I123-C1095 HydrophobicContact CG2-CB 4.5Å; I123-Y1177 HydrophobicContact CD1-CD2 3.97Å; I123-Y1177 HydrophobicContact CD1-CG 4.36Å; I123-N1178 HydrophobicContact CD1-CB 4.4Å; I123-N1178 HydrophobicContact CG1-CB 4.33Å |
| 124 | Y | 90.5 | Very high | 91.6 | Very high | 4 Ų | 4 | 22 Ų | 22 | 2% | 0.016 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -70.3 | -33.2 | 176.8 | -70.2 | -74.5 | 0 | 0 | 0 | 112.5 | M117 Q120 Q126 G127 F128 P151 F160 L162 | M117-Y124 HydrophobicContact CE-CE2 4.44Å; Q120-Y124 HydrophobicContact CB-CD2 3.88Å; Q120-Y124 HydrophobicContact CB-CE2 3.76Å; Q120-Y124 WeakPolarHBondContact O-CD2 3.18Å; Q120-Y124 PolarHBondContact O-N 3.4Å; Y124-Q126 PolarHBondContact O-N 2.94Å; Y124-G127 PolarHBondContact O-N 3.25Å; Y124-F128 HydrophobicContact CD1-CB 4.27Å; Y124-F128 AromaticContact CD1-CD1 4Å; Y124-F128 HydrophobicContact CD1-CD1 4Å; Y124-F128 WeakPolarHBondContact CD1-O 3.27Å; Y124-F128 AromaticContact CE1-CD1 3.45Å; Y124-F128 HydrophobicContact CE1-CD1 3.45Å; Y124-F128 VanDerWaalsContact CE1-CD1 3.45Å; Y124-F128 HydrophobicContact CE1-CE1 4.13Å; Y124-F128 HydrophobicContact CE1-CG 4.38Å; Y124-F128 HydrophobicContact CE2-CD1 4.22Å; Y124-F128 AromaticContact CZ-CD1 3.58Å; Y124-F128 AromaticContact CZ-CE1 3.92Å; Y124-P151 HydrophobicContact CD1-CB 4.31Å; Y124-P151 HydrophobicContact CD1-CG 4.45Å; Y124-P151 HydrophobicContact CE1-CB 4.44Å; Y124-P151 HydrophobicContact CE1-CG 4.42Å; Y124-F160 AromaticContact CD2-CE1 3.95Å; Y124-F160 HydrophobicContact CD2-CE1 3.95Å; Y124-F160 AromaticContact CD2-CZ 3.61Å; Y124-F160 HydrophobicContact CD2-CZ 3.61Å; Y124-F160 AromaticContact CE2-CE1 3.99Å; Y124-F160 HydrophobicContact CE2-CE1 3.99Å; Y124-F160 HydrophobicContact CE2-CZ 4.14Å; Y124-F160 HydrophobicContact CG-CZ 4.43Å; Y124-L162 HydrophobicContact CD1-CD1 3.69Å; Y124-L162 HydrophobicContact CD2-CD1 4.26Å; Y124-L162 HydrophobicContact CE1-CD1 3.38Å; Y124-L162 HydrophobicContact CE1-CD2 3.98Å; Y124-L162 HydrophobicContact CE1-CG 4.33Å; Y124-L162 HydrophobicContact CE2-CD1 3.97Å; Y124-L162 HydrophobicContact CE2-CD2 4.34Å; Y124-L162 HydrophobicContact CG-CD1 4.13Å; Y124-L162 WeakPolarHBondContact OH-CD2 3.48Å |
| 125 | S | 85.8 | Confident | 91.3 | Very high | 78 Ų | 78 | 23.2 Ų | 23.2 | 55% | 0.545 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -23 | 170 | 70 | 0 | 0 | 0 | 0 | 113.5 | S121 K122 G127 | S121-S125 VanDerWaalsContact O-CB 3.27Å; S121-S125 WeakPolarHBondContact O-CB 3.22Å; S121-S125 PolarHBondContact O-N 2.86Å; S121-S125 PolarHBondContact O-OG 2.95Å; S121-S125 VanDerWaalsContact O-OG 3.13Å; K122-S125 PolarHBondContact O-OG 3.22Å; S125-G127 VanDerWaalsContact C-N 3.26Å; S125-G127 PolarHBondContact O-N 2.86Å |
| 126 | Q | 84.3 | Confident | 90.9 | Very high | 29 Ų | 29 | 22.8 Ų | 22.8 | 14% | 0.136 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82 | 0.2 | 173.2 | -67.9 | 169.5 | 39 | 0 | 0 | 113.6 | K122 I123 Y124 R1098 N1178 | K122-Q126 VanDerWaalsContact O-CD 3.29Å; K122-Q126 VanDerWaalsContact O-CG 3.23Å; K122-Q126 WeakPolarHBondContact O-CG 3.4Å; K122-Q126 PolarHBondContact O-NE2 3.19Å; I123-Q126 WeakPolarHBondContact O-CB 2.93Å; I123-Q126 PolarHBondContact O-N 3.02Å; I123-Q126 VanDerWaalsContact O-N 3.12Å; Y124-Q126 PolarHBondContact O-N 2.94Å; Q126-R1098 PolarHBondContact O-NH2 2.78Å; Q126-N1178 PolarHBondContact O-ND2 2.71Å |
| 127 | G | 86.3 | Confident | 90.2 | Very high | 16 Ų | 16 | 25.4 Ų | 25.4 | 17% | 0.165 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 92.1 | 18.3 | -180 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y124 S125 R1250 | Y124-G127 PolarHBondContact O-N 3.25Å; S125-G127 VanDerWaalsContact C-N 3.26Å; S125-G127 PolarHBondContact O-N 2.86Å; G127-R1250 PolarHBondContact O-NE 3.48Å; G127-R1250 PolarHBondContact O-NH1 3.02Å; G127-R1250 PolarHBondContact O-NH2 3.08Å |
| 128 | F | 91.7 | Very high | 89.6 | Confident | 1 Ų | 1 | 30 Ų | 30 | 0% | 0.004 | 17% | 0.172 | C | C | . | . | trans | -59.8 | 140.3 | 172.2 | -174.8 | -120.2 | 0 | 0 | 0 | 111.8 | I123 Y124 F180 C181 Y1177 N1178 | I123-F128 HydrophobicContact CB-CB 4.36Å; I123-F128 HydrophobicContact CD1-CB 4.28Å; I123-F128 HydrophobicContact CD1-CD1 4.13Å; I123-F128 HydrophobicContact CD1-CD2 4.08Å; I123-F128 HydrophobicContact CD1-CE1 4.44Å; I123-F128 HydrophobicContact CD1-CE2 4.37Å; I123-F128 HydrophobicContact CD1-CG 3.92Å; I123-F128 HydrophobicContact CG1-CB 3.96Å; I123-F128 HydrophobicContact CG1-CG 4.16Å; I123-F128 HydrophobicContact CG2-CB 4.04Å; I123-F128 HydrophobicContact CG2-CD1 3.69Å; I123-F128 HydrophobicContact CG2-CE1 4.41Å; I123-F128 HydrophobicContact CG2-CG 4.1Å; I123-F128 WeakPolarHBondContact O-CB 3.38Å; I123-F128 PolarHBondContact O-N 2.98Å; Y124-F128 HydrophobicContact CD1-CB 4.27Å; Y124-F128 AromaticContact CD1-CD1 4Å; Y124-F128 HydrophobicContact CD1-CD1 4Å; Y124-F128 WeakPolarHBondContact CD1-O 3.27Å; Y124-F128 AromaticContact CE1-CD1 3.45Å; Y124-F128 HydrophobicContact CE1-CD1 3.45Å; Y124-F128 VanDerWaalsContact CE1-CD1 3.45Å; Y124-F128 HydrophobicContact CE1-CE1 4.13Å; Y124-F128 HydrophobicContact CE1-CG 4.38Å; Y124-F128 HydrophobicContact CE2-CD1 4.22Å; Y124-F128 AromaticContact CZ-CD1 3.58Å; Y124-F128 AromaticContact CZ-CE1 3.92Å; F128-F180 HydrophobicContact CE1-CD2 4.1Å; F128-F180 HydrophobicContact CE1-CE1 4.17Å; F128-F180 AromaticContact CE1-CE2 3.67Å; F128-F180 HydrophobicContact CE1-CE2 3.67Å; F128-F180 AromaticContact CE1-CZ 3.71Å; F128-F180 HydrophobicContact CE1-CZ 3.71Å; F128-F180 HydrophobicContact CZ-CD1 4.25Å; F128-F180 AromaticContact CZ-CE1 3.99Å; F128-F180 HydrophobicContact CZ-CE1 3.99Å; F128-F180 HydrophobicContact CZ-CE2 4.28Å; F128-F180 AromaticContact CZ-CZ 4Å; F128-F180 HydrophobicContact CZ-CZ 4Å; F128-F180 WeakPolarHBondContact CZ-O 3.38Å; F128-C181 HydrophobicContact CZ-CB 4.25Å; F128-Y1177 WeakPolarHBondContact CE2-O 3.48Å; F128-N1178 VanDerWaalsContact CA-OD1 3.26Å; F128-N1178 WeakPolarHBondContact CA-OD1 3.28Å; F128-N1178 HydrophobicContact CB-CB 3.96Å; F128-N1178 HydrophobicContact CD2-CB 3.64Å; F128-N1178 HydrophobicContact CG-CB 4.22Å | ||
| 129 | S | 93.2 | Very high | 88.8 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 18% | 0.181 | C | C | . | . | trans | -139.1 | 136 | 176 | -168.3 | 0 | 0 | 0 | 0 | 109.1 | R146 I147 | S129-R146 PolarHBondContact O-NH1 3.24Å; S129-I147 WeakPolarHBondContact CB-O 3.31Å; S129-I147 WeakPolarHBondContact OG-CB 3.23Å; S129-I147 PolarHBondContact OG-O 3.08Å | ||
| 130 | P | 96 | Very high | 88 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | trans | -55 | 167.6 | 171.2 | -23.9 | 34.7 | 0 | 0 | 0 | 112 | F97 R146 I147 L162 F164 | F97-P130 HydrophobicContact CE2-CB 4.16Å; F97-P130 HydrophobicContact CZ-CB 3.72Å; F97-P130 HydrophobicContact CZ-CG 3.68Å; P130-R146 WeakPolarHBondContact O-CA 3.28Å; P130-I147 HydrophobicContact CB-CD1 4.15Å; P130-I147 PolarHBondContact O-N 3.17Å; P130-L162 HydrophobicContact CG-CD2 4.28Å; P130-F164 HydrophobicContact CG-CD1 4.23Å | ||
| 131 | I | 95.9 | Very high | 87.5 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 156.3 | 176.6 | 60.7 | 168.7 | 0 | 0 | 0 | 111.6 | W144 Q145 R146 F178 A179 Y182 | I131-W144 HydrophobicContact CB-CE3 4.04Å; I131-W144 HydrophobicContact CD1-CB 4.2Å; I131-W144 HydrophobicContact CD1-CD2 3.65Å; I131-W144 HydrophobicContact CD1-CE3 3.31Å; I131-W144 HydrophobicContact CD1-CG 4.05Å; I131-W144 HydrophobicContact CD1-CZ3 3.88Å; I131-W144 HydrophobicContact CG1-CD2 4.43Å; I131-W144 HydrophobicContact CG1-CE3 3.61Å; I131-W144 HydrophobicContact CG1-CZ3 3.87Å; I131-Q145 CarbonylContact C-O 3.44Å; I131-Q145 WeakPolarHBondContact CA-O 3.39Å; I131-Q145 VanDerWaalsContact CB-O 3.3Å; I131-Q145 WeakPolarHBondContact CB-O 3.25Å; I131-R146 HydrophobicContact CG2-CB 4.4Å; I131-R146 HydrophobicContact CG2-CG 3.63Å; I131-F178 WeakPolarHBondContact O-CA 3.38Å; I131-A179 HydrophobicContact CD1-CB 4.35Å; I131-A179 HydrophobicContact CG1-CB 4Å; I131-A179 WeakPolarHBondContact CG1-O 3.44Å; I131-A179 PolarHBondContact N-O 2.77Å; I131-A179 PolarHBondContact O-N 2.71Å; I131-Y182 HydrophobicContact CD1-CD1 3.72Å; I131-Y182 HydrophobicContact CD1-CE1 4.25Å; I131-Y182 HydrophobicContact CD1-CG 3.96Å; I131-Y182 HydrophobicContact CG2-CE1 4.23Å; I131-Y182 HydrophobicContact CG2-CE2 4.4Å |
| 132 | Y | 96.5 | Very high | 87.4 | Confident | 19 Ų | 19 | 38.2 Ų | 38.2 | 8% | 0.075 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 157.9 | 171.5 | 74.6 | -77.3 | 0 | 0 | 0 | 110.6 | V134 W144 Q145 I147 H166 T176 Y177 | Y132-V134 HydrophobicContact CD2-CG2 4.07Å; Y132-V134 HydrophobicContact CE2-CG2 4.03Å; Y132-W144 VanDerWaalsContact C-CE3 3.4Å; Y132-W144 WeakPolarHBondContact O-CA 3.24Å; Y132-Q145 HydrophobicContact CD1-CB 4.24Å; Y132-Q145 VanDerWaalsContact CD1-O 3.3Å; Y132-Q145 WeakPolarHBondContact CD1-O 3.21Å; Y132-Q145 HydrophobicContact CE1-CB 3.64Å; Y132-Q145 PolarHBondContact N-O 3.36Å; Y132-Q145 PolarHBondContact O-N 3.12Å; Y132-Q145 PolarHBondContact OH-OE1 3.1Å; Y132-I147 HydrophobicContact CD1-CG1 3.93Å; Y132-H166 AromaticContact CD2-CE1 3.4Å; Y132-H166 WeakPolarHBondContact CD2-CE1 3.49Å; Y132-H166 AromaticContact CE2-CE1 3.47Å; Y132-H166 VanDerWaalsContact CE2-CE1 3.47Å; Y132-H166 WeakPolarHBondContact CE2-CE1 3.37Å; Y132-H166 AromaticContact CG-CE1 3.72Å; Y132-H166 AromaticContact CZ-CE1 3.86Å; Y132-T176 HydrophobicContact CD2-CG2 4.05Å; Y132-Y177 CarbonylContact C-O 3.59Å; Y132-Y177 WeakPolarHBondContact CA-O 3.31Å; Y132-Y177 WeakPolarHBondContact CB-O 3.23Å |
| 133 | R | 95.1 | Very high | 87.5 | Confident | 22 Ų | 22 | 40.9 Ų | 40.9 | 8% | 0.083 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 130.7 | 173.4 | 168.5 | -177.3 | 172.4 | 159.1 | 9.7 | 108.3 | C135 P142 W144 T176 Y177 D635 | R133-C135 PolarHBondContact NE-SG 2.82Å; R133-P142 HydrophobicContact CG-CB 4.42Å; R133-P142 VanDerWaalsContact NH2-CG 3.35Å; R133-P142 PolarHBondContact NH2-O 2.89Å; R133-W144 HydrophobicContact CB-CD2 3.55Å; R133-W144 HydrophobicContact CB-CE3 3.44Å; R133-W144 VanDerWaalsContact CB-CE3 3.44Å; R133-W144 HydrophobicContact CB-CG 4.16Å; R133-W144 HydrophobicContact CB-CH2 4.04Å; R133-W144 HydrophobicContact CB-CZ2 4.1Å; R133-W144 HydrophobicContact CB-CZ3 3.72Å; R133-W144 HydrophobicContact CG-CD2 4.42Å; R133-T176 CarbonylContact O-C 3.59Å; R133-T176 WeakPolarHBondContact O-CA 3.45Å; R133-Y177 PolarHBondContact N-O 2.8Å; R133-Y177 PolarHBondContact O-N 2.99Å; R133-D635 IonicContact CZ-OD2 3.38Å; R133-D635 IonicContact NH1-OD2 3.83Å; R133-D635 PolarHBondContact NH1-OD2 3Å; R133-D635 IonicContact NH2-OD2 3.32Å; R133-D635 PolarHBondContact NH2-OD2 3.43Å |
| 134 | V | 94.2 | Very high | 87.7 | Confident | 18 Ų | 18 | 43 Ų | 43 | 11% | 0.109 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 133.3 | 176.3 | -171.5 | 0 | 0 | 0 | 0 | 108.4 | Y132 V139 P142 D170 T176 | Y132-V134 HydrophobicContact CD2-CG2 4.07Å; Y132-V134 HydrophobicContact CE2-CG2 4.03Å; V134-V139 HydrophobicContact CG1-CG2 4.15Å; V134-P142 WeakPolarHBondContact O-CA 3.46Å; V134-P142 WeakPolarHBondContact O-CB 3.47Å; V134-D170 HydrophobicContact CG1-CB 3.79Å; V134-D170 WeakPolarHBondContact CG2-OD1 3.48Å; V134-T176 HydrophobicContact CG2-CG2 4.27Å |
| 135 | C | 91.5 | Very high | 87.7 | Confident | 28 Ų | 28 | 47.2 Ų | 47.2 | 19% | 0.189 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 137.5 | 174.7 | -61.8 | 0 | 0 | 0 | 0 | 109.2 | R133 I175 Y177 | R133-C135 PolarHBondContact NE-SG 2.82Å; C135-I175 PolarHBondContact N-O 3.4Å; C135-I175 PolarHBondContact O-N 2.7Å; C135-Y177 HydrophobicContact CB-CE2 4.22Å |
| 136 | G | 85.7 | Confident | 88 | Confident | 16 Ų | 16 | 45 Ų | 45 | 17% | 0.165 | 25% | 0.246 | C | C | . | . | trans | 175.5 | 165.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | T138 V139 | G136-T138 PolarHBondContact O-N 3.29Å; G136-T138 VanDerWaalsContact O-N 3.11Å; G136-V139 WeakPolarHBondContact O-CB 3.33Å; G136-V139 PolarHBondContact O-N 3.4Å | ||
| 137 | P | 78.4 | Confident | 88.4 | Confident | 76 Ų | 76 | 43.7 Ų | 43.7 | 49% | 0.494 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -20.7 | -170.5 | 24.1 | -34.2 | 0 | 0 | 0 | 115.1 | N639 | P137-N639 WeakPolarHBondContact CA-OD1 3.18Å; P137-N639 HydrophobicContact CB-CB 4.48Å |
| 138 | T | 78.6 | Confident | 88.4 | Confident | 99 Ų | 99 | 51.4 Ų | 51.4 | 61% | 0.607 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.4 | -1.9 | 176.4 | 50 | 0 | 0 | 0 | 0 | 113.6 | G136 A140 | G136-T138 PolarHBondContact O-N 3.29Å; G136-T138 VanDerWaalsContact O-N 3.11Å; T138-A140 PolarHBondContact O-N 3.34Å |
| 139 | V | 76.6 | Confident | 88.1 | Confident | 30 Ų | 30 | 53.9 Ų | 53.9 | 18% | 0.182 | 28% | 0.277 | C | S | . | . | trans | -94.1 | 88.1 | -176.9 | -175.2 | 0 | 0 | 0 | 0 | 109.5 | V134 G136 Q141 P142 | V134-V139 HydrophobicContact CG1-CG2 4.15Å; G136-V139 WeakPolarHBondContact O-CB 3.33Å; G136-V139 PolarHBondContact O-N 3.4Å; V139-Q141 PolarHBondContact O-N 3.04Å; V139-Q141 VanDerWaalsContact O-N 3.12Å; V139-P142 HydrophobicContact CG1-CB 4.25Å | ||
| 140 | A | 74.5 | Confident | 87.9 | Confident | 97 Ų | 97 | 59.6 Ų | 59.6 | 80% | 0.802 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -56.5 | -30 | -172.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | T138 | T138-A140 PolarHBondContact O-N 3.34Š|
| 141 | Q | 78.4 | Confident | 87.8 | Confident | 130 Ų | 130 | 59.9 Ų | 59.9 | 61% | 0.607 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -142.4 | 94.8 | 171.9 | -70.1 | -164.3 | 10.9 | 0 | 0 | 111.4 | V139 R143 | V139-Q141 PolarHBondContact O-N 3.04Å; V139-Q141 VanDerWaalsContact O-N 3.12Å; Q141-R143 PolarHBondContact O-N 3.44Å |
| 142 | P | 85.5 | Confident | 87.6 | Confident | 31 Ų | 31 | 61.5 Ų | 61.5 | 20% | 0.201 | 31% | 0.312 | C | S | . | . | trans | -70.1 | 110.3 | 179.1 | 29.2 | -36.5 | 0 | 0 | 0 | 111.2 | R133 V134 V139 | R133-P142 HydrophobicContact CG-CB 4.42Å; R133-P142 VanDerWaalsContact NH2-CG 3.35Å; R133-P142 PolarHBondContact NH2-O 2.89Å; V134-P142 WeakPolarHBondContact O-CA 3.46Å; V134-P142 WeakPolarHBondContact O-CB 3.47Å; V139-P142 HydrophobicContact CG1-CB 4.25Å | ||
| 143 | R | 88.8 | Confident | 87.5 | Confident | 164 Ų | 164 | 64.8 Ų | 64.8 | 62% | 0.619 | 33% | 0.325 | S | S | * | . | trans | -120.9 | 146.8 | -176.7 | -67.4 | -178.9 | -178.6 | -172.8 | -0 | 112.7 | Q141 | Q141-R143 PolarHBondContact O-N 3.44Š| ||
| 144 | W | 93.7 | Very high | 87.4 | Confident | 45 Ų | 45 | 68.2 Ų | 68.2 | 17% | 0.17 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 129.4 | 172.9 | -74.2 | 109.8 | 0 | 0 | 0 | 112.1 | Y98 I131 Y132 R133 A179 Y182 P183 | Y98-W144 HydrophobicContact CD2-CH2 4.43Å; Y98-W144 AromaticContact CE2-CH2 3.7Å; Y98-W144 HydrophobicContact CE2-CH2 3.7Å; Y98-W144 HydrophobicContact CE2-CZ2 4.06Å; I131-W144 HydrophobicContact CB-CE3 4.04Å; I131-W144 HydrophobicContact CD1-CB 4.2Å; I131-W144 HydrophobicContact CD1-CD2 3.65Å; I131-W144 HydrophobicContact CD1-CE3 3.31Å; I131-W144 HydrophobicContact CD1-CG 4.05Å; I131-W144 HydrophobicContact CD1-CZ3 3.88Å; I131-W144 HydrophobicContact CG1-CD2 4.43Å; I131-W144 HydrophobicContact CG1-CE3 3.61Å; I131-W144 HydrophobicContact CG1-CZ3 3.87Å; Y132-W144 VanDerWaalsContact C-CE3 3.4Å; Y132-W144 WeakPolarHBondContact O-CA 3.24Å; R133-W144 HydrophobicContact CB-CD2 3.55Å; R133-W144 HydrophobicContact CB-CE3 3.44Å; R133-W144 VanDerWaalsContact CB-CE3 3.44Å; R133-W144 HydrophobicContact CB-CG 4.16Å; R133-W144 HydrophobicContact CB-CH2 4.04Å; R133-W144 HydrophobicContact CB-CZ2 4.1Å; R133-W144 HydrophobicContact CB-CZ3 3.72Å; R133-W144 HydrophobicContact CG-CD2 4.42Å; W144-A179 HydrophobicContact CH2-CB 3.91Å; W144-A179 HydrophobicContact CZ3-CB 3.99Å; W144-Y182 HydrophobicContact CB-CD1 3.77Å; W144-Y182 HydrophobicContact CB-CE1 3.78Å; W144-Y182 HydrophobicContact CG-CD1 4.29Å; W144-P183 HydrophobicContact CH2-CG 3.98Å; W144-P183 HydrophobicContact CZ2-CG 3.29Å |
| 145 | Q | 91.3 | Very high | 87.2 | Confident | 93 Ų | 93 | 71 Ų | 71 | 44% | 0.435 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 147.8 | 178.9 | -60.3 | -177.5 | 28.5 | 0 | 0 | 110.4 | I131 Y132 | I131-Q145 CarbonylContact C-O 3.44Å; I131-Q145 WeakPolarHBondContact CA-O 3.39Å; I131-Q145 VanDerWaalsContact CB-O 3.3Å; I131-Q145 WeakPolarHBondContact CB-O 3.25Å; Y132-Q145 HydrophobicContact CD1-CB 4.24Å; Y132-Q145 VanDerWaalsContact CD1-O 3.3Å; Y132-Q145 WeakPolarHBondContact CD1-O 3.21Å; Y132-Q145 HydrophobicContact CE1-CB 3.64Å; Y132-Q145 PolarHBondContact N-O 3.36Å; Y132-Q145 PolarHBondContact O-N 3.12Å; Y132-Q145 PolarHBondContact OH-OE1 3.1Å |
| 146 | R | 92.5 | Very high | 87 | Confident | 30 Ų | 30 | 72.4 Ų | 72.4 | 11% | 0.113 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 142 | 172.4 | -71.5 | 179.9 | -177.9 | -80.4 | 8.9 | 110.3 | S129 P130 I131 R148 Y1177 Y1251 | S129-R146 PolarHBondContact O-NH1 3.24Å; P130-R146 WeakPolarHBondContact O-CA 3.28Å; I131-R146 HydrophobicContact CG2-CB 4.4Å; I131-R146 HydrophobicContact CG2-CG 3.63Å; R146-R148 PolarHBondContact O-N 3.43Å; R146-Y1177 PolarHBondContact NH2-O 3.2Å; R146-Y1251 PolarHBondContact NE-O 3.46Å; R146-Y1251 PolarHBondContact NH2-O 3.38Å |
| 147 | I | 92.4 | Very high | 87 | Confident | 3 Ų | 3 | 79.3 Ų | 79.3 | 2% | 0.015 | 40% | 0.396 | C | S | . | . | trans | -61.3 | 125.2 | 170.3 | -62.6 | 179.4 | 0 | 0 | 0 | 107.8 | S129 P130 Y132 F164 I165 F178 | S129-I147 WeakPolarHBondContact CB-O 3.31Å; S129-I147 WeakPolarHBondContact OG-CB 3.23Å; S129-I147 PolarHBondContact OG-O 3.08Å; P130-I147 HydrophobicContact CB-CD1 4.15Å; P130-I147 PolarHBondContact O-N 3.17Å; Y132-I147 HydrophobicContact CD1-CG1 3.93Å; I147-F164 HydrophobicContact CD1-CB 4.32Å; I147-F164 HydrophobicContact CD1-CD2 3.36Å; I147-F164 HydrophobicContact CD1-CE2 3.76Å; I147-F164 HydrophobicContact CD1-CG 3.95Å; I147-I165 WeakPolarHBondContact CG2-O 2.93Å; I147-F178 HydrophobicContact CD1-CD1 4.2Å; I147-F178 HydrophobicContact CD1-CE1 4.3Å | ||
| 148 | R | 85.5 | Confident | 87.1 | Confident | 177 Ų | 177 | 78.7 Ų | 78.7 | 67% | 0.668 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -70.3 | -48.2 | -171.9 | -53.2 | -173.3 | -150.1 | 177.2 | 12.5 | 111 | R146 K150 | R146-R148 PolarHBondContact O-N 3.43Å; R148-K150 PolarHBondContact O-N 3.09Å |
| 149 | D | 86.2 | Confident | 87.4 | Confident | 54 Ų | 54 | 78.2 Ų | 78.2 | 29% | 0.289 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -62.6 | 130.3 | 175.9 | -59 | -59.6 | 0 | 0 | 0 | 110 | P151 | D149-P151 WeakPolarHBondContact O-CD 3.46Š|
| 150 | K | 88.8 | Confident | 88.2 | Confident | 120 Ų | 120 | 76.9 Ų | 76.9 | 52% | 0.522 | 39% | 0.386 | S | S | . | . | P | Polyproline II helix | trans | -68.4 | 122.1 | -176.9 | 179.7 | -170.2 | 172.9 | -168.4 | 0 | 109.7 | I67 R148 I152 | I67-K150 WeakPolarHBondContact CD1-O 3.45Å; R148-K150 PolarHBondContact O-N 3.09Å; K150-I152 PolarHBondContact O-N 3.4Å |
| 151 | P | 93.5 | Very high | 89.1 | Confident | 6 Ų | 6 | 72.8 Ų | 72.8 | 4% | 0.039 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -60.1 | 141 | 177 | -21.2 | 31.2 | 0 | 0 | 0 | 112.4 | Y124 D149 L162 T163 F164 | Y124-P151 HydrophobicContact CD1-CB 4.31Å; Y124-P151 HydrophobicContact CD1-CG 4.45Å; Y124-P151 HydrophobicContact CE1-CB 4.44Å; Y124-P151 HydrophobicContact CE1-CG 4.42Å; D149-P151 WeakPolarHBondContact O-CD 3.46Å; P151-L162 HydrophobicContact CB-CD1 3.72Å; P151-T163 CarbonylContact C-O 3.5Å; P151-T163 WeakPolarHBondContact CA-O 3.36Å; P151-F164 HydrophobicContact CB-CB 4.29Å; P151-F164 HydrophobicContact CG-CB 4.37Å |
| 152 | I | 92.5 | Very high | 90 | Very high | 34 Ų | 34 | 66.6 Ų | 66.6 | 17% | 0.174 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 144.2 | 166.5 | -66.3 | -175.7 | 0 | 0 | 0 | 108 | N64 I67 K150 T163 | N64-I152 HydrophobicContact CB-CD1 4.26Å; I67-I152 HydrophobicContact CB-CD1 3.74Å; I67-I152 HydrophobicContact CB-CG1 4.38Å; I67-I152 HydrophobicContact CD1-CD1 4.45Å; I67-I152 HydrophobicContact CD1-CG1 4.21Å; I67-I152 HydrophobicContact CG2-CD1 3.61Å; I67-I152 HydrophobicContact CG2-CG1 4.1Å; K150-I152 PolarHBondContact O-N 3.4Å; I152-T163 PolarHBondContact N-O 2.85Å; I152-T163 PolarHBondContact O-N 3.38Å |
| 153 | W | 93.3 | Very high | 90.5 | Very high | 88 Ų | 88 | 66 Ų | 66 | 33% | 0.333 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 150.8 | 167.4 | 64.2 | -87.4 | 0 | 0 | 0 | 110.2 | S121 L155 F160 L161 L162 | S121-W153 VanDerWaalsContact CB-CH2 3.48Å; S121-W153 WeakPolarHBondContact OG-CH2 3.36Å; S121-W153 WeakPolarHBondContact OG-CZ3 3.49Å; W153-L155 HydrophobicContact CZ3-CD1 4.29Å; W153-L155 HydrophobicContact CZ3-CG 4.31Å; W153-F160 HydrophobicContact CB-CE1 4.04Å; W153-F160 HydrophobicContact CB-CE2 3.77Å; W153-F160 HydrophobicContact CB-CZ 3.39Å; W153-F160 AromaticContact CD2-CE2 3.56Å; W153-F160 HydrophobicContact CD2-CE2 3.56Å; W153-F160 AromaticContact CD2-CZ 3.97Å; W153-F160 HydrophobicContact CD2-CZ 3.97Å; W153-F160 AromaticContact CE3-CD2 3.97Å; W153-F160 HydrophobicContact CE3-CD2 3.97Å; W153-F160 AromaticContact CE3-CE2 3.36Å; W153-F160 HydrophobicContact CE3-CE2 3.36Å; W153-F160 HydrophobicContact CE3-CZ 4.19Å; W153-F160 AromaticContact CG-CE2 3.75Å; W153-F160 HydrophobicContact CG-CE2 3.75Å; W153-F160 AromaticContact CG-CZ 3.63Å; W153-F160 HydrophobicContact CG-CZ 3.63Å; W153-F160 HydrophobicContact CZ3-CE2 4.21Å; W153-L161 WeakPolarHBondContact CA-O 3.29Å; W153-L161 WeakPolarHBondContact CB-O 3.5Å; W153-L162 HydrophobicContact CB-CD1 4.43Å |
| 154 | E | 92.8 | Very high | 90.8 | Very high | 93 Ų | 93 | 58.2 Ų | 58.2 | 44% | 0.435 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 165.4 | 178.6 | 57.9 | -179.5 | -179.6 | 0 | 0 | 110.7 | V156 L161 | E154-V156 HydrophobicContact CG-CG2 3.91Å; E154-L161 HydrophobicContact CG-CB 3.89Å; E154-L161 HydrophobicContact CG-CD2 4.41Å; E154-L161 PolarHBondContact N-O 3.43Å; E154-L161 VanDerWaalsContact N-O 3.12Å; E154-L161 PolarHBondContact O-N 2.95Å |
| 155 | L | 90.6 | Very high | 90.9 | Very high | 76 Ų | 76 | 56.1 Ų | 56.1 | 40% | 0.398 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 97.5 | 176.6 | -74.5 | 167.3 | 0 | 0 | 0 | 108.5 | K119 W153 Q159 F160 | K119-L155 HydrophobicContact CD-CD1 4.36Å; K119-L155 HydrophobicContact CD-CD2 4.33Å; K119-L155 HydrophobicContact CG-CD2 4.34Å; W153-L155 HydrophobicContact CZ3-CD1 4.29Å; W153-L155 HydrophobicContact CZ3-CG 4.31Å; L155-Q159 CarbonylContact C-O 3.59Å; L155-Q159 WeakPolarHBondContact CA-O 3.43Å; L155-F160 HydrophobicContact CD2-CB 4.01Å; L155-F160 HydrophobicContact CD2-CD2 4.02Å |
| 156 | V | 87.2 | Confident | 91 | Very high | 59 Ų | 59 | 52.1 Ų | 52.1 | 36% | 0.358 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 120.4 | 180 | -178.2 | 0 | 0 | 0 | 0 | 108.2 | E154 G158 Q159 L161 | E154-V156 HydrophobicContact CG-CG2 3.91Å; V156-G158 PolarHBondContact O-N 3.21Å; V156-G158 VanDerWaalsContact O-N 3.16Å; V156-Q159 PolarHBondContact N-O 2.96Å; V156-Q159 WeakPolarHBondContact O-CB 3.2Å; V156-Q159 PolarHBondContact O-N 3.17Å; V156-L161 HydrophobicContact CB-CD1 3.87Å; V156-L161 HydrophobicContact CB-CD2 4.34Å; V156-L161 HydrophobicContact CG2-CD1 4.19Å; V156-L161 HydrophobicContact CG2-CD2 4.05Å |
| 157 | N | 85.4 | Confident | 91.1 | Very high | 161 Ų | 161 | 56.4 Ų | 56.4 | 86% | 0.861 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.9 | 40.2 | -177.8 | -57.2 | -18.5 | 0 | 0 | 0 | 113 | Q159 | N157-Q159 PolarHBondContact O-N 3.49Š|
| 158 | G | 81.1 | Confident | 91.1 | Very high | 63 Ų | 63 | 56.2 Ų | 56.2 | 65% | 0.649 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.1 | -18 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | V156 | V156-G158 PolarHBondContact O-N 3.21Å; V156-G158 VanDerWaalsContact O-N 3.16Å |
| 159 | Q | 85.7 | Confident | 91.1 | Very high | 89 Ų | 89 | 54.5 Ų | 54.5 | 42% | 0.416 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 140.2 | 178.1 | -58.9 | -170.3 | -1.7 | 0 | 0 | 111 | L155 V156 N157 L161 | L155-Q159 CarbonylContact C-O 3.59Å; L155-Q159 WeakPolarHBondContact CA-O 3.43Å; V156-Q159 PolarHBondContact N-O 2.96Å; V156-Q159 WeakPolarHBondContact O-CB 3.2Å; V156-Q159 PolarHBondContact O-N 3.17Å; N157-Q159 PolarHBondContact O-N 3.49Å; Q159-L161 HydrophobicContact CB-CD1 4.07Å; Q159-L161 WeakPolarHBondContact O-CD1 3.29Å |
| 160 | F | 92.7 | Very high | 91.1 | Very high | 1 Ų | 1 | 52.8 Ų | 52.8 | 0% | 0.004 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 111.4 | 176.3 | -177.3 | -87.6 | 0 | 0 | 0 | 109.4 | M117 N118 K119 Q120 S121 Y124 W153 L155 L162 | M117-F160 HydrophobicContact CB-CD1 3.86Å; M117-F160 PolarHBondContact N-O 3.42Å; M117-F160 WeakPolarHBondContact O-CB 3.42Å; N118-F160 WeakPolarHBondContact O-CD1 3.35Å; K119-F160 HydrophobicContact CG-CD2 4.36Å; Q120-F160 HydrophobicContact CB-CE1 4.21Å; Q120-F160 HydrophobicContact CB-CZ 4.25Å; S121-F160 VanDerWaalsContact N-CE2 3.29Å; S121-F160 WeakPolarHBondContact OG-CE2 3.43Å; Y124-F160 AromaticContact CD2-CE1 3.95Å; Y124-F160 HydrophobicContact CD2-CE1 3.95Å; Y124-F160 AromaticContact CD2-CZ 3.61Å; Y124-F160 HydrophobicContact CD2-CZ 3.61Å; Y124-F160 AromaticContact CE2-CE1 3.99Å; Y124-F160 HydrophobicContact CE2-CE1 3.99Å; Y124-F160 HydrophobicContact CE2-CZ 4.14Å; Y124-F160 HydrophobicContact CG-CZ 4.43Å; W153-F160 HydrophobicContact CB-CE1 4.04Å; W153-F160 HydrophobicContact CB-CE2 3.77Å; W153-F160 HydrophobicContact CB-CZ 3.39Å; W153-F160 AromaticContact CD2-CE2 3.56Å; W153-F160 HydrophobicContact CD2-CE2 3.56Å; W153-F160 AromaticContact CD2-CZ 3.97Å; W153-F160 HydrophobicContact CD2-CZ 3.97Å; W153-F160 AromaticContact CE3-CD2 3.97Å; W153-F160 HydrophobicContact CE3-CD2 3.97Å; W153-F160 AromaticContact CE3-CE2 3.36Å; W153-F160 HydrophobicContact CE3-CE2 3.36Å; W153-F160 HydrophobicContact CE3-CZ 4.19Å; W153-F160 AromaticContact CG-CE2 3.75Å; W153-F160 HydrophobicContact CG-CE2 3.75Å; W153-F160 AromaticContact CG-CZ 3.63Å; W153-F160 HydrophobicContact CG-CZ 3.63Å; W153-F160 HydrophobicContact CZ3-CE2 4.21Å; L155-F160 HydrophobicContact CD2-CB 4.01Å; L155-F160 HydrophobicContact CD2-CD2 4.02Å; F160-L162 HydrophobicContact CE1-CB 4.28Å |
| 161 | L | 94.1 | Very high | 90.8 | Very high | 12 Ų | 12 | 50.2 Ų | 50.2 | 6% | 0.063 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 135.1 | 176.5 | -73.3 | 66.2 | 0 | 0 | 0 | 108.5 | T113 I114 M115 W153 E154 V156 Q159 | T113-L161 HydrophobicContact CG2-CB 4.24Å; T113-L161 HydrophobicContact CG2-CD2 4.36Å; I114-L161 WeakPolarHBondContact O-CA 3.23Å; M115-L161 HydrophobicContact CE-CD2 3.65Å; M115-L161 HydrophobicContact CE-CG 4.18Å; M115-L161 HydrophobicContact SD-CD2 4.26Å; W153-L161 WeakPolarHBondContact CA-O 3.29Å; W153-L161 WeakPolarHBondContact CB-O 3.5Å; E154-L161 HydrophobicContact CG-CB 3.89Å; E154-L161 HydrophobicContact CG-CD2 4.41Å; E154-L161 PolarHBondContact N-O 3.43Å; E154-L161 VanDerWaalsContact N-O 3.12Å; E154-L161 PolarHBondContact O-N 2.95Å; V156-L161 HydrophobicContact CB-CD1 3.87Å; V156-L161 HydrophobicContact CB-CD2 4.34Å; V156-L161 HydrophobicContact CG2-CD1 4.19Å; V156-L161 HydrophobicContact CG2-CD2 4.05Å; Q159-L161 HydrophobicContact CB-CD1 4.07Å; Q159-L161 WeakPolarHBondContact O-CD1 3.29Å |
| 162 | L | 95.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 115 | 174.4 | 177.7 | 72.6 | 0 | 0 | 0 | 109.8 | F97 T113 I114 M117 Y124 P130 P151 W153 F160 F164 | F97-L162 HydrophobicContact CE1-CD2 3.98Å; F97-L162 HydrophobicContact CZ-CD2 4.3Å; T113-L162 CarbonylContact C-O 3.46Å; T113-L162 VanDerWaalsContact CA-O 3.29Å; T113-L162 WeakPolarHBondContact CA-O 3.26Å; I114-L162 PolarHBondContact N-O 3.13Å; I114-L162 PolarHBondContact O-N 3.03Å; M117-L162 HydrophobicContact SD-CB 4.01Å; M117-L162 HydrophobicContact SD-CD2 3.77Å; Y124-L162 HydrophobicContact CD1-CD1 3.69Å; Y124-L162 HydrophobicContact CD2-CD1 4.26Å; Y124-L162 HydrophobicContact CE1-CD1 3.38Å; Y124-L162 HydrophobicContact CE1-CD2 3.98Å; Y124-L162 HydrophobicContact CE1-CG 4.33Å; Y124-L162 HydrophobicContact CE2-CD1 3.97Å; Y124-L162 HydrophobicContact CE2-CD2 4.34Å; Y124-L162 HydrophobicContact CG-CD1 4.13Å; Y124-L162 WeakPolarHBondContact OH-CD2 3.48Å; P130-L162 HydrophobicContact CG-CD2 4.28Å; P151-L162 HydrophobicContact CB-CD1 3.72Å; W153-L162 HydrophobicContact CB-CD1 4.43Å; F160-L162 HydrophobicContact CE1-CB 4.28Å; L162-F164 HydrophobicContact CD2-CD1 4.42Å |
| 163 | T | 96 | Very high | 90.1 | Very high | 17 Ų | 17 | 61.2 Ų | 61.2 | 10% | 0.104 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 125.9 | 175.9 | -60.2 | 0 | 0 | 0 | 0 | 110.5 | R111 A112 T113 P151 I152 | R111-T163 HydrophobicContact CG-CG2 3.83Å; A112-T163 WeakPolarHBondContact O-CA 3.36Å; T113-T163 VanDerWaalsContact CG2-OG1 3.31Å; T113-T163 WeakPolarHBondContact CG2-OG1 3.41Å; T113-T163 PolarHBondContact OG1-OG1 2.9Å; P151-T163 CarbonylContact C-O 3.5Å; P151-T163 WeakPolarHBondContact CA-O 3.36Å; I152-T163 PolarHBondContact N-O 2.85Å; I152-T163 PolarHBondContact O-N 3.38Å |
| 164 | F | 95.8 | Very high | 90 | Very high | 1 Ų | 1 | 57.1 Ų | 57.1 | 0% | 0.004 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 153.1 | 170.7 | 60.2 | -95.1 | 0 | 0 | 0 | 111.5 | F97 F99 M110 A112 I114 P130 I147 P151 L162 F178 | F97-F164 HydrophobicContact CE2-CE1 4.5Å; F97-F164 HydrophobicContact CZ-CE1 4.32Å; F99-F164 HydrophobicContact CZ-CZ 4.22Å; M110-F164 HydrophobicContact CE-CE2 4.12Å; A112-F164 HydrophobicContact CB-CD2 4.31Å; A112-F164 HydrophobicContact CB-CE1 4.35Å; A112-F164 HydrophobicContact CB-CE2 3.88Å; A112-F164 HydrophobicContact CB-CZ 3.9Å; A112-F164 PolarHBondContact N-O 3.06Å; A112-F164 PolarHBondContact O-N 2.94Å; I114-F164 HydrophobicContact CD1-CE1 4.13Å; I114-F164 HydrophobicContact CG1-CE1 4.29Å; P130-F164 HydrophobicContact CG-CD1 4.23Å; I147-F164 HydrophobicContact CD1-CB 4.32Å; I147-F164 HydrophobicContact CD1-CD2 3.36Å; I147-F164 HydrophobicContact CD1-CE2 3.76Å; I147-F164 HydrophobicContact CD1-CG 3.95Å; P151-F164 HydrophobicContact CB-CB 4.29Å; P151-F164 HydrophobicContact CG-CB 4.37Å; L162-F164 HydrophobicContact CD2-CD1 4.42Å; F164-F178 HydrophobicContact CE2-CD1 4.01Å; F164-F178 HydrophobicContact CE2-CE1 4.24Å |
| 165 | I | 94.6 | Very high | 90.1 | Very high | 2 Ų | 2 | 54.7 Ų | 54.7 | 1% | 0.01 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 143.6 | 175.6 | -69.7 | -171.8 | 0 | 0 | 0 | 109.4 | I67 V70 I109 M110 R111 I147 | I67-I165 HydrophobicContact CB-CD1 4.45Å; I67-I165 HydrophobicContact CG2-CD1 3.76Å; I67-I165 HydrophobicContact CG2-CG1 4.16Å; V70-I165 HydrophobicContact CB-CD1 3.75Å; V70-I165 HydrophobicContact CG1-CD1 4.09Å; V70-I165 HydrophobicContact CG2-CD1 4.24Å; I109-I165 HydrophobicContact CG2-CG2 3.56Å; M110-I165 CarbonylContact O-C 3.52Å; M110-I165 VanDerWaalsContact O-CA 3.23Å; M110-I165 WeakPolarHBondContact O-CA 3.47Å; R111-I165 HydrophobicContact CB-CG1 4.19Å; R111-I165 HydrophobicContact CG-CG1 4.41Å; I147-I165 WeakPolarHBondContact CG2-O 2.93Å |
| 166 | H | 94.3 | Very high | 90.4 | Very high | 9 Ų | 9 | 51.1 Ų | 51.1 | 4% | 0.042 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 135.1 | 173.7 | -179.1 | 75.3 | 0 | 0 | 0 | 110.1 | M110 Y132 F168 F178 | M110-H166 HydrophobicContact CE-CB 4.2Å; M110-H166 PolarHBondContact N-O 3.3Å; M110-H166 PolarHBondContact O-N 2.8Å; Y132-H166 AromaticContact CD2-CE1 3.4Å; Y132-H166 WeakPolarHBondContact CD2-CE1 3.49Å; Y132-H166 AromaticContact CE2-CE1 3.47Å; Y132-H166 VanDerWaalsContact CE2-CE1 3.47Å; Y132-H166 WeakPolarHBondContact CE2-CE1 3.37Å; Y132-H166 AromaticContact CG-CE1 3.72Å; Y132-H166 AromaticContact CZ-CE1 3.86Å; H166-F168 AromaticContact CD2-CD1 3.5Å; H166-F168 VanDerWaalsContact CD2-CD1 3.5Å; H166-F168 WeakPolarHBondContact CD2-CD1 3.03Å; H166-F168 AromaticContact CD2-CE1 3.49Å; H166-F168 VanDerWaalsContact CD2-CE1 3.49Å; H166-F168 WeakPolarHBondContact CD2-CE1 3.42Å; H166-F168 AromaticContact NE2-CD1 3.64Å; H166-F168 AromaticContact NE2-CE1 3.95Å; H166-F178 HydrophobicContact CB-CE1 3.99Å; H166-F178 HydrophobicContact CB-CZ 4.21Å; H166-F178 AromaticContact CD2-CZ 3.65Å; H166-F178 AromaticContact CG-CE1 3.75Å; H166-F178 AromaticContact CG-CZ 3.85Å |
| 167 | R | 93.8 | Very high | 90.9 | Very high | 119 Ų | 119 | 50.9 Ų | 50.9 | 45% | 0.449 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 116.2 | 175.2 | -52.6 | -167.2 | 176.4 | 122.8 | 1 | 108.5 | I109 Q169 | I109-R167 HydrophobicContact CD1-CG 4.31Å; I109-R167 HydrophobicContact CG1-CG 4.03Å; I109-R167 HydrophobicContact CG2-CG 4.43Å; R167-Q169 PolarHBondContact O-N 3.31Å; R167-Q169 VanDerWaalsContact O-N 3.09Å |
| 168 | F | 92.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.226 | C | C | . | . | trans | -74.9 | 96.7 | 177.1 | -61.4 | -68.8 | 0 | 0 | 0 | 109.2 | Y74 M101 Y104 G107 K108 M110 H166 T176 F178 | Y74-F168 HydrophobicContact CD2-CD2 4.41Å; Y74-F168 HydrophobicContact CD2-CE2 4.11Å; Y74-F168 HydrophobicContact CE2-CD2 4.4Å; Y74-F168 HydrophobicContact CE2-CE2 4.42Å; M101-F168 HydrophobicContact CE-CZ 4.09Å; M101-F168 HydrophobicContact SD-CZ 4.33Å; Y104-F168 AromaticContact CD1-CD1 3.7Å; Y104-F168 HydrophobicContact CD1-CD1 3.7Å; Y104-F168 HydrophobicContact CD1-CD2 4.26Å; Y104-F168 AromaticContact CD1-CE1 3.54Å; Y104-F168 HydrophobicContact CD1-CE1 3.54Å; Y104-F168 HydrophobicContact CD1-CE2 4.11Å; Y104-F168 HydrophobicContact CD1-CG 4.07Å; Y104-F168 AromaticContact CD1-CZ 3.77Å; Y104-F168 HydrophobicContact CD1-CZ 3.77Å; Y104-F168 HydrophobicContact CD2-CB 3.64Å; Y104-F168 AromaticContact CD2-CD1 3.83Å; Y104-F168 HydrophobicContact CD2-CD1 3.83Å; Y104-F168 HydrophobicContact CD2-CD2 4.04Å; Y104-F168 HydrophobicContact CD2-CE1 4.49Å; Y104-F168 AromaticContact CD2-CG 3.58Å; Y104-F168 HydrophobicContact CD2-CG 3.58Å; Y104-F168 AromaticContact CE1-CD1 3.63Å; Y104-F168 HydrophobicContact CE1-CD1 3.63Å; Y104-F168 AromaticContact CE1-CE1 3.6Å; Y104-F168 HydrophobicContact CE1-CE1 3.6Å; Y104-F168 HydrophobicContact CE1-CG 4.35Å; Y104-F168 HydrophobicContact CE1-CZ 4.29Å; Y104-F168 HydrophobicContact CE2-CB 3.85Å; Y104-F168 AromaticContact CE2-CD1 3.8Å; Y104-F168 HydrophobicContact CE2-CD1 3.8Å; Y104-F168 AromaticContact CE2-CG 3.92Å; Y104-F168 HydrophobicContact CE2-CG 3.92Å; Y104-F168 HydrophobicContact CG-CB 4.26Å; Y104-F168 AromaticContact CG-CD1 3.8Å; Y104-F168 HydrophobicContact CG-CD1 3.8Å; Y104-F168 AromaticContact CG-CD2 3.77Å; Y104-F168 HydrophobicContact CG-CD2 3.77Å; Y104-F168 HydrophobicContact CG-CE1 4.02Å; Y104-F168 AromaticContact CG-CE2 3.97Å; Y104-F168 HydrophobicContact CG-CE2 3.97Å; Y104-F168 AromaticContact CG-CG 3.68Å; Y104-F168 HydrophobicContact CG-CG 3.68Å; Y104-F168 HydrophobicContact CG-CZ 4.11Å; Y104-F168 AromaticContact CZ-CD1 3.69Å; G107-F168 WeakPolarHBondContact CA-O 3.38Å; G107-F168 PolarHBondContact N-O 3.15Å; K108-F168 PolarHBondContact O-N 3.02Å; M110-F168 HydrophobicContact CB-CE2 3.75Å; M110-F168 HydrophobicContact CB-CZ 4.16Å; M110-F168 HydrophobicContact CE-CZ 4.22Å; M110-F168 HydrophobicContact SD-CZ 4.22Å; H166-F168 AromaticContact CD2-CD1 3.5Å; H166-F168 VanDerWaalsContact CD2-CD1 3.5Å; H166-F168 WeakPolarHBondContact CD2-CD1 3.03Å; H166-F168 AromaticContact CD2-CE1 3.49Å; H166-F168 VanDerWaalsContact CD2-CE1 3.49Å; H166-F168 WeakPolarHBondContact CD2-CE1 3.42Å; H166-F168 AromaticContact NE2-CD1 3.64Å; H166-F168 AromaticContact NE2-CE1 3.95Å; F168-T176 HydrophobicContact CE1-CG2 4.35Å; F168-F178 HydrophobicContact CE1-CE2 4.28Å; F168-F178 HydrophobicContact CE1-CZ 4.02Å; F168-F178 HydrophobicContact CZ-CZ 4.39Å | ||
| 169 | Q | 87.4 | Confident | 92.2 | Very high | 140 Ų | 140 | 40.2 Ų | 40.2 | 65% | 0.654 | 20% | 0.195 | S | C | * | . | trans | -88.9 | 3.4 | 176.8 | -57.8 | -169.5 | -68.9 | 0 | 0 | 112 | R167 | R167-Q169 PolarHBondContact O-N 3.31Å; R167-Q169 VanDerWaalsContact O-N 3.09Å | ||
| 170 | D | 84.9 | Confident | 92.8 | Very high | 19 Ų | 19 | 36 Ų | 36 | 10% | 0.102 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -86.2 | 152.2 | -162.7 | -27.6 | -52.2 | 0 | 0 | 0 | 111.8 | Y104 P106 V134 T176 | Y104-D170 HydrophobicContact CE2-CB 4.42Å; Y104-D170 PolarHBondContact OH-OD2 3.19Å; Y104-D170 VanDerWaalsContact OH-OD2 3.13Å; P106-D170 WeakPolarHBondContact CB-O 3.34Å; P106-D170 VanDerWaalsContact CG-O 3.3Å; P106-D170 WeakPolarHBondContact CG-O 3.44Å; V134-D170 HydrophobicContact CG1-CB 3.79Å; V134-D170 WeakPolarHBondContact CG2-OD1 3.48Å; D170-T176 PolarHBondContact OD2-OG1 3.29Å |
| 171 | P | 82.9 | Confident | 92.9 | Very high | 66 Ų | 66 | 36 Ų | 36 | 43% | 0.429 | 18% | 0.175 | S | C | . | . | P | Polyproline II helix | trans | -56.2 | 148.4 | 174 | -26.5 | 36.6 | 0 | 0 | 0 | 113.1 | G173 S174 | P171-G173 PolarHBondContact O-N 3.11Å; P171-S174 VanDerWaalsContact O-CB 3.25Å; P171-S174 WeakPolarHBondContact O-CB 3.45Å; P171-S174 PolarHBondContact O-N 3.05Å; P171-S174 PolarHBondContact O-OG 2.91Å |
| 172 | R | 84.6 | Confident | 93 | Very high | 217 Ų | 217 | 36.1 Ų | 36.1 | 82% | 0.819 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | 135.5 | 178.2 | -168.6 | 178.3 | -175.3 | 179.8 | -0.6 | 110.5 | P106 | P106-R172 HydrophobicContact CG-CB 4.02Š|
| 173 | G | 86.5 | Confident | 93 | Very high | 53 Ų | 53 | 36.3 Ų | 36.3 | 55% | 0.546 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 94.5 | -9.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | P171 | P171-G173 PolarHBondContact O-N 3.11Š|
| 174 | S | 92.1 | Very high | 93.1 | Very high | 2 Ų | 2 | 36.8 Ų | 36.8 | 1% | 0.014 | 18% | 0.176 | C | C | . | . | trans | -60 | 155.1 | 173.3 | -60.3 | 0 | 0 | 0 | 0 | 113 | Y104 P171 | Y104-S174 WeakPolarHBondContact OH-CB 3.2Å; Y104-S174 PolarHBondContact OH-O 3.49Å; P171-S174 VanDerWaalsContact O-CB 3.25Å; P171-S174 WeakPolarHBondContact O-CB 3.45Å; P171-S174 PolarHBondContact O-N 3.05Å; P171-S174 PolarHBondContact O-OG 2.91Å | ||
| 175 | I | 94.7 | Very high | 93.2 | Very high | 43 Ų | 43 | 37.2 Ų | 37.2 | 22% | 0.221 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 119.4 | 174.8 | -50.3 | -177.7 | 0 | 0 | 0 | 107.9 | M101 R102 C135 Y177 | M101-I175 CarbonylContact O-C 3.46Å; M101-I175 WeakPolarHBondContact O-CA 3.35Å; R102-I175 HydrophobicContact CB-CB 4.44Å; R102-I175 HydrophobicContact CB-CG1 4.01Å; R102-I175 HydrophobicContact CB-CG2 4.44Å; C135-I175 PolarHBondContact N-O 3.4Å; C135-I175 PolarHBondContact O-N 2.7Å; I175-Y177 HydrophobicContact CB-CE2 4.24Å; I175-Y177 HydrophobicContact CG2-CD2 4.12Å; I175-Y177 HydrophobicContact CG2-CE2 3.6Å |
| 176 | T | 95.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 115.4 | 176.5 | -52.7 | 0 | 0 | 0 | 0 | 109.9 | S100 M101 Y104 Y132 R133 V134 F168 D170 F178 | S100-T176 CarbonylContact C-O 3.59Å; S100-T176 WeakPolarHBondContact CA-O 3.32Å; M101-T176 PolarHBondContact N-O 2.78Å; M101-T176 PolarHBondContact O-N 2.86Å; Y104-T176 WeakPolarHBondContact CE1-OG1 3.42Å; Y104-T176 PolarHBondContact OH-OG1 2.78Å; Y132-T176 HydrophobicContact CD2-CG2 4.05Å; R133-T176 CarbonylContact O-C 3.59Å; R133-T176 WeakPolarHBondContact O-CA 3.45Å; V134-T176 HydrophobicContact CG2-CG2 4.27Å; F168-T176 HydrophobicContact CE1-CG2 4.35Å; D170-T176 PolarHBondContact OD2-OG1 3.29Å; T176-F178 HydrophobicContact CG2-CD2 4.32Å; T176-F178 HydrophobicContact CG2-CE1 4.21Å; T176-F178 HydrophobicContact CG2-CE2 3.63Å; T176-F178 HydrophobicContact CG2-CZ 3.57Å |
| 177 | Y | 97.4 | Very high | 93.5 | Very high | 55 Ų | 55 | 41.7 Ų | 41.7 | 22% | 0.216 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 143.9 | 171.4 | -69.6 | -98.1 | 0 | 0 | 0 | 110 | F14 Y98 F99 Y132 R133 C135 I175 | F14-Y177 HydrophobicContact CE1-CD1 4.49Å; F14-Y177 HydrophobicContact CE1-CE1 4.01Å; F14-Y177 HydrophobicContact CE2-CE1 4.48Å; F14-Y177 HydrophobicContact CZ-CD1 4.02Å; F14-Y177 AromaticContact CZ-CE1 3.93Å; F14-Y177 HydrophobicContact CZ-CE1 3.93Å; Y98-Y177 AromaticContact CE2-CD1 3.8Å; Y98-Y177 HydrophobicContact CE2-CD1 3.8Å; Y98-Y177 HydrophobicContact CE2-CG 4.47Å; F99-Y177 CarbonylContact O-C 3.52Å; F99-Y177 WeakPolarHBondContact O-CA 2.84Å; Y132-Y177 CarbonylContact C-O 3.59Å; Y132-Y177 WeakPolarHBondContact CA-O 3.31Å; Y132-Y177 WeakPolarHBondContact CB-O 3.23Å; R133-Y177 PolarHBondContact N-O 2.8Å; R133-Y177 PolarHBondContact O-N 2.99Å; C135-Y177 HydrophobicContact CB-CE2 4.22Å; I175-Y177 HydrophobicContact CB-CE2 4.24Å; I175-Y177 HydrophobicContact CG2-CD2 4.12Å; I175-Y177 HydrophobicContact CG2-CE2 3.6Å |
| 178 | F | 97.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 130.6 | 176.2 | -65.8 | -86.8 | 0 | 0 | 0 | 109.6 | Y98 F99 M101 M110 I131 I147 F164 H166 F168 T176 | Y98-F178 WeakPolarHBondContact CA-O 3.4Å; Y98-F178 WeakPolarHBondContact CD2-O 3.26Å; F99-F178 HydrophobicContact CD1-CB 4.39Å; F99-F178 HydrophobicContact CD2-CB 4.34Å; F99-F178 HydrophobicContact CD2-CD2 4.21Å; F99-F178 HydrophobicContact CE1-CB 3.9Å; F99-F178 HydrophobicContact CE2-CB 3.83Å; F99-F178 AromaticContact CE2-CD2 3.53Å; F99-F178 HydrophobicContact CE2-CD2 3.53Å; F99-F178 HydrophobicContact CE2-CE2 4.41Å; F99-F178 AromaticContact CE2-CG 3.95Å; F99-F178 HydrophobicContact CE2-CG 3.95Å; F99-F178 HydrophobicContact CZ-CB 3.6Å; F99-F178 HydrophobicContact CZ-CD2 4.01Å; F99-F178 AromaticContact CZ-CG 3.96Å; F99-F178 HydrophobicContact CZ-CG 3.96Å; F99-F178 PolarHBondContact N-O 2.96Å; F99-F178 PolarHBondContact O-N 2.84Å; M101-F178 HydrophobicContact CB-CE2 4.41Å; M101-F178 HydrophobicContact CG-CD2 4.35Å; M101-F178 HydrophobicContact CG-CE2 4.16Å; M101-F178 HydrophobicContact SD-CD2 4.21Å; M101-F178 HydrophobicContact SD-CE2 3.73Å; M110-F178 HydrophobicContact CE-CE1 4.06Å; M110-F178 HydrophobicContact CE-CE2 3.95Å; M110-F178 HydrophobicContact CE-CZ 3.58Å; I131-F178 WeakPolarHBondContact O-CA 3.38Å; I147-F178 HydrophobicContact CD1-CD1 4.2Å; I147-F178 HydrophobicContact CD1-CE1 4.3Å; F164-F178 HydrophobicContact CE2-CD1 4.01Å; F164-F178 HydrophobicContact CE2-CE1 4.24Å; H166-F178 HydrophobicContact CB-CE1 3.99Å; H166-F178 HydrophobicContact CB-CZ 4.21Å; H166-F178 AromaticContact CD2-CZ 3.65Å; H166-F178 AromaticContact CG-CE1 3.75Å; H166-F178 AromaticContact CG-CZ 3.85Å; F168-F178 HydrophobicContact CE1-CE2 4.28Å; F168-F178 HydrophobicContact CE1-CZ 4.02Å; F168-F178 HydrophobicContact CZ-CZ 4.39Å; T176-F178 HydrophobicContact CG2-CD2 4.32Å; T176-F178 HydrophobicContact CG2-CE1 4.21Å; T176-F178 HydrophobicContact CG2-CE2 3.63Å; T176-F178 HydrophobicContact CG2-CZ 3.57Å |
| 179 | A | 97.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 153.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | F97 Y98 I131 W144 P183 | F97-A179 CarbonylContact O-C 3.57Å; F97-A179 VanDerWaalsContact O-CA 3.32Å; F97-A179 WeakPolarHBondContact O-CA 3.45Å; Y98-A179 HydrophobicContact CD2-CB 3.87Å; Y98-A179 HydrophobicContact CE2-CB 4.41Å; Y98-A179 HydrophobicContact CG-CB 4.29Å; I131-A179 HydrophobicContact CD1-CB 4.35Å; I131-A179 HydrophobicContact CG1-CB 4Å; I131-A179 WeakPolarHBondContact CG1-O 3.44Å; I131-A179 PolarHBondContact N-O 2.77Å; I131-A179 PolarHBondContact O-N 2.71Å; W144-A179 HydrophobicContact CH2-CB 3.91Å; W144-A179 HydrophobicContact CZ3-CB 3.99Å; A179-P183 HydrophobicContact CB-CG 4.42Å |
| 180 | F | 96.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -56.9 | -51.6 | 176.6 | 174.4 | -95.9 | 0 | 0 | 0 | 111.5 | T95 W96 F97 M117 F128 Y1177 | T95-F180 HydrophobicContact CG2-CD2 4.36Å; T95-F180 HydrophobicContact CG2-CE1 4.37Å; T95-F180 HydrophobicContact CG2-CE2 3.74Å; T95-F180 HydrophobicContact CG2-CZ 3.75Å; T95-F180 WeakPolarHBondContact O-CD2 3.48Å; W96-F180 HydrophobicContact CD2-CB 4.48Å; W96-F180 HydrophobicContact CE3-CB 3.85Å; W96-F180 HydrophobicContact CE3-CD1 4.03Å; W96-F180 HydrophobicContact CE3-CG 4.3Å; W96-F180 HydrophobicContact CZ3-CB 3.99Å; W96-F180 HydrophobicContact CZ3-CD1 4.15Å; F97-F180 HydrophobicContact CD1-CB 3.86Å; F97-F180 HydrophobicContact CD1-CD2 4.07Å; F97-F180 HydrophobicContact CD1-CG 4.47Å; F97-F180 HydrophobicContact CE1-CB 3.97Å; F97-F180 AromaticContact CE1-CD2 3.84Å; F97-F180 HydrophobicContact CE1-CD2 3.84Å; F97-F180 HydrophobicContact CE1-CG 4.41Å; F97-F180 HydrophobicContact CG-CB 4.16Å; F97-F180 HydrophobicContact CZ-CB 4.35Å; F97-F180 PolarHBondContact O-N 2.64Å; M117-F180 HydrophobicContact CE-CD2 4.14Å; M117-F180 HydrophobicContact CE-CE2 3.96Å; F128-F180 HydrophobicContact CE1-CD2 4.1Å; F128-F180 HydrophobicContact CE1-CE1 4.17Å; F128-F180 AromaticContact CE1-CE2 3.67Å; F128-F180 HydrophobicContact CE1-CE2 3.67Å; F128-F180 AromaticContact CE1-CZ 3.71Å; F128-F180 HydrophobicContact CE1-CZ 3.71Å; F128-F180 HydrophobicContact CZ-CD1 4.25Å; F128-F180 AromaticContact CZ-CE1 3.99Å; F128-F180 HydrophobicContact CZ-CE1 3.99Å; F128-F180 HydrophobicContact CZ-CE2 4.28Å; F128-F180 AromaticContact CZ-CZ 4Å; F128-F180 HydrophobicContact CZ-CZ 4Å; F128-F180 WeakPolarHBondContact CZ-O 3.38Å; F180-Y1177 HydrophobicContact CD1-CD1 4.36Å; F180-Y1177 HydrophobicContact CD1-CE1 4.31Å; F180-Y1177 AromaticContact CE1-CD1 3.85Å; F180-Y1177 HydrophobicContact CE1-CD1 3.85Å; F180-Y1177 HydrophobicContact CE1-CD2 4.1Å; F180-Y1177 AromaticContact CE1-CE1 3.84Å; F180-Y1177 HydrophobicContact CE1-CE1 3.84Å; F180-Y1177 HydrophobicContact CE1-CE2 4.14Å; F180-Y1177 AromaticContact CE1-CG 3.97Å; F180-Y1177 HydrophobicContact CE1-CG 3.97Å; F180-Y1177 AromaticContact CE1-CZ 4Å |
| 181 | C | 95.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -145.6 | 177.3 | 171.1 | -162.8 | 0 | 0 | 0 | 0 | 109.1 | W96 F128 P183 Y1177 | W96-C181 WeakPolarHBondContact CH2-O 3.45Å; F128-C181 HydrophobicContact CZ-CB 4.25Å; C181-P183 WeakPolarHBondContact O-CD 3.26Å; C181-Y1177 HydrophobicContact CB-CD1 3.65Å; C181-Y1177 HydrophobicContact CB-CE1 4.43Å; C181-Y1177 HydrophobicContact CB-CG 4.43Å |
| 182 | Y | 96.2 | Very high | 95.6 | Very high | 15 Ų | 15 | 33.2 Ų | 33.2 | 6% | 0.059 | 17% | 0.166 | C | C | . | . | trans | -49.5 | 106 | -177.2 | -62.2 | -80.3 | 0 | 0 | 0 | 110.8 | I131 W144 T367 H371 Y1251 P1253 | I131-Y182 HydrophobicContact CD1-CD1 3.72Å; I131-Y182 HydrophobicContact CD1-CE1 4.25Å; I131-Y182 HydrophobicContact CD1-CG 3.96Å; I131-Y182 HydrophobicContact CG2-CE1 4.23Å; I131-Y182 HydrophobicContact CG2-CE2 4.4Å; W144-Y182 HydrophobicContact CB-CD1 3.77Å; W144-Y182 HydrophobicContact CB-CE1 3.78Å; W144-Y182 HydrophobicContact CG-CD1 4.29Å; Y182-T367 WeakPolarHBondContact O-CB 3.35Å; Y182-T367 PolarHBondContact O-OG1 2.95Å; Y182-H371 PolarHBondContact O-NE2 3.34Å; Y182-H371 VanDerWaalsContact O-NE2 3.17Å; Y182-Y1251 WeakPolarHBondContact CE2-O 3.29Å; Y182-P1253 HydrophobicContact CD1-CG 3.85Å; Y182-P1253 HydrophobicContact CD2-CG 4.39Å; Y182-P1253 HydrophobicContact CE1-CG 4.35Å; Y182-P1253 HydrophobicContact CG-CG 3.88Å | ||
| 183 | P | 96.9 | Very high | 96.2 | Very high | 4 Ų | 4 | 22.9 Ų | 22.9 | 3% | 0.026 | 13% | 0.127 | C | C | . | . | trans | -67.7 | 158.1 | -177.3 | 28.1 | -33.8 | 0 | 0 | 0 | 110.2 | W96 Y98 W144 A179 C181 | W96-P183 HydrophobicContact CH2-CB 4.21Å; W96-P183 HydrophobicContact CZ2-CB 4.25Å; Y98-P183 HydrophobicContact CD1-CB 4.37Å; Y98-P183 HydrophobicContact CE1-CB 4.05Å; Y98-P183 HydrophobicContact CE1-CG 4.27Å; W144-P183 HydrophobicContact CH2-CG 3.98Å; W144-P183 HydrophobicContact CZ2-CG 3.29Å; A179-P183 HydrophobicContact CB-CG 4.42Å; C181-P183 WeakPolarHBondContact O-CD 3.26Å | ||
| 184 | W | 97 | Very high | 96.6 | Very high | 28 Ų | 28 | 24.6 Ų | 24.6 | 11% | 0.106 | 12% | 0.123 | C | C | . | . | trans | -147.9 | 100.2 | 163 | -164.6 | -90.5 | 0 | 0 | 0 | 106.1 | E188 Q192 R361 H371 N374 I633 | W184-E188 WeakPolarHBondContact CA-OE2 3.3Å; W184-Q192 HydrophobicContact CZ2-CB 4.41Å; W184-R361 PolarHBondContact O-NH1 2.77Å; W184-R361 PolarHBondContact O-NH2 3.36Å; W184-R361 VanDerWaalsContact O-NH2 3.09Å; W184-H371 AromaticContact CE3-CE1 3.81Å; W184-N374 WeakPolarHBondContact CH2-ND2 3.48Å; W184-N374 WeakPolarHBondContact CZ2-ND2 3.46Å; W184-N374 WeakPolarHBondContact CZ3-ND2 3.49Å; W184-I633 HydrophobicContact CZ3-CD1 4.45Å | ||
| 185 | T | 97.7 | Very high | 96.7 | Very high | 10 Ų | 10 | 27.4 Ų | 27.4 | 6% | 0.061 | 14% | 0.135 | C | C | . | . | trans | -77.6 | 166.7 | -173.9 | 59.4 | 0 | 0 | 0 | 0 | 111.2 | D15 Y98 N187 E188 M189 | D15-T185 HydrophobicContact CB-CG2 4.26Å; D15-T185 VanDerWaalsContact CG-CB 3.46Å; D15-T185 WeakPolarHBondContact OD1-CB 3.44Å; Y98-T185 HydrophobicContact CE1-CG2 4.04Å; T185-N187 VanDerWaalsContact C-N 3.31Å; T185-E188 VanDerWaalsContact CB-OE2 3.3Å; T185-E188 WeakPolarHBondContact CB-OE2 3.36Å; T185-E188 VanDerWaalsContact CG2-OE2 3.31Å; T185-E188 WeakPolarHBondContact CG2-OE2 3.46Å; T185-E188 PolarHBondContact N-OE2 3.38Å; T185-E188 VanDerWaalsContact OG1-CB 3.25Å; T185-E188 WeakPolarHBondContact OG1-CB 3.48Å; T185-E188 WeakPolarHBondContact OG1-CG 3.45Å; T185-E188 PolarHBondContact OG1-N 3.47Å; T185-E188 PolarHBondContact OG1-OE2 3.02Å; T185-M189 WeakPolarHBondContact O-CB 3.24Å; T185-M189 PolarHBondContact O-N 3.32Å | ||
| 186 | Y | 98.2 | Very high | 96.6 | Very high | 23 Ų | 23 | 25.4 Ų | 25.4 | 9% | 0.09 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -65.4 | -39.6 | 172.9 | 169.8 | -96.6 | 0 | 0 | 0 | 110.7 | D15 M189 Q190 R313 R314 M402 P405 | D15-Y186 PolarHBondContact OD1-N 3.49Å; D15-Y186 WeakPolarHBondContact OD2-CA 3.34Å; D15-Y186 WeakPolarHBondContact OD2-CB 3.18Å; D15-Y186 PolarHBondContact OD2-N 3.13Å; Y186-M189 HydrophobicContact CD2-CE 3.43Å; Y186-M189 VanDerWaalsContact CD2-CE 3.43Å; Y186-M189 HydrophobicContact CE2-CE 3.82Å; Y186-M189 HydrophobicContact CG-CE 4.34Å; Y186-M189 PolarHBondContact O-N 2.79Å; Y186-Q190 HydrophobicContact CD1-CG 4.23Å; Y186-Q190 HydrophobicContact CD2-CG 4.35Å; Y186-Q190 HydrophobicContact CE1-CG 3.76Å; Y186-Q190 HydrophobicContact CE2-CG 3.91Å; Y186-Q190 WeakPolarHBondContact O-CB 3.47Å; Y186-Q190 WeakPolarHBondContact O-CG 3.48Å; Y186-Q190 PolarHBondContact O-N 3.36Å; Y186-Q190 PolarHBondContact OH-NE2 2.79Å; Y186-R313 HydrophobicContact CE1-CB 4.41Å; Y186-R313 HydrophobicContact CE1-CG 4.28Å; Y186-R313 HydrophobicContact CE2-CB 3.94Å; Y186-R314 PolarHBondContact OH-N 3.13Å; Y186-M402 HydrophobicContact CD2-SD 4.12Å; Y186-P405 HydrophobicContact CD2-CB 3.35Å; Y186-P405 HydrophobicContact CE2-CB 3.7Å; Y186-P405 HydrophobicContact CG-CB 4.23Å |
| 187 | N | 97.2 | Very high | 96.4 | Very high | 82 Ų | 82 | 27.8 Ų | 27.8 | 44% | 0.439 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -67.4 | -40.5 | 178.2 | -70.5 | -18 | 0 | 0 | 0 | 113.5 | D15 T185 Q190 T191 | D15-N187 PolarHBondContact OD2-N 2.82Å; T185-N187 VanDerWaalsContact C-N 3.31Å; N187-Q190 PolarHBondContact O-N 3.27Å; N187-T191 WeakPolarHBondContact O-CB 3.05Å; N187-T191 PolarHBondContact O-N 2.85Å; N187-T191 PolarHBondContact O-OG1 2.6Å |
| 188 | E | 96.1 | Very high | 96 | Very high | 38 Ų | 38 | 28.7 Ų | 28.7 | 18% | 0.178 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.5 | -43.9 | 173.7 | -76.3 | 158.1 | 150.5 | 0 | 0 | 111 | W184 T185 T191 Q192 | W184-E188 WeakPolarHBondContact CA-OE2 3.3Å; T185-E188 VanDerWaalsContact CB-OE2 3.3Å; T185-E188 WeakPolarHBondContact CB-OE2 3.36Å; T185-E188 VanDerWaalsContact CG2-OE2 3.31Å; T185-E188 WeakPolarHBondContact CG2-OE2 3.46Å; T185-E188 PolarHBondContact N-OE2 3.38Å; T185-E188 VanDerWaalsContact OG1-CB 3.25Å; T185-E188 WeakPolarHBondContact OG1-CB 3.48Å; T185-E188 WeakPolarHBondContact OG1-CG 3.45Å; T185-E188 PolarHBondContact OG1-N 3.47Å; T185-E188 PolarHBondContact OG1-OE2 3.02Å; E188-T191 PolarHBondContact O-N 3.49Å; E188-Q192 PolarHBondContact O-N 3.13Å |
| 189 | M | 97.8 | Very high | 95.5 | Very high | 4 Ų | 4 | 31.1 Ų | 31.1 | 2% | 0.02 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.3 | -51.1 | 175 | 179.5 | -95.2 | -60.1 | 0 | 0 | 111.7 | T185 Y186 T191 Q192 L193 P401 M402 | T185-M189 WeakPolarHBondContact O-CB 3.24Å; T185-M189 PolarHBondContact O-N 3.32Å; Y186-M189 HydrophobicContact CD2-CE 3.43Å; Y186-M189 VanDerWaalsContact CD2-CE 3.43Å; Y186-M189 HydrophobicContact CE2-CE 3.82Å; Y186-M189 HydrophobicContact CG-CE 4.34Å; Y186-M189 PolarHBondContact O-N 2.79Å; M189-T191 VanDerWaalsContact C-N 3.29Å; M189-T191 PolarHBondContact O-N 3.27Å; M189-Q192 WeakPolarHBondContact O-CB 3.46Å; M189-Q192 PolarHBondContact O-N 2.92Å; M189-L193 WeakPolarHBondContact O-CG 3.11Å; M189-L193 PolarHBondContact O-N 3.37Å; M189-L193 HydrophobicContact SD-CD1 3.65Å; M189-L193 HydrophobicContact SD-CG 4.36Å; M189-P401 HydrophobicContact CG-CB 4.02Å; M189-P401 HydrophobicContact SD-CB 4.17Å; M189-M402 HydrophobicContact CB-CE 4.35Å; M189-M402 HydrophobicContact CE-CB 3.79Å; M189-M402 HydrophobicContact CE-CE 4.08Å; M189-M402 HydrophobicContact CE-CG 4.39Å; M189-M402 HydrophobicContact CE-SD 3.79Å |
| 190 | Q | 97.7 | Very high | 94.9 | Very high | 22 Ų | 22 | 31.6 Ų | 31.6 | 10% | 0.103 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -59.3 | -38.3 | 175.9 | -74.9 | -71.2 | -28.9 | 0 | 0 | 112.5 | Y186 N187 L193 N194 E316 | Y186-Q190 HydrophobicContact CD1-CG 4.23Å; Y186-Q190 HydrophobicContact CD2-CG 4.35Å; Y186-Q190 HydrophobicContact CE1-CG 3.76Å; Y186-Q190 HydrophobicContact CE2-CG 3.91Å; Y186-Q190 WeakPolarHBondContact O-CB 3.47Å; Y186-Q190 WeakPolarHBondContact O-CG 3.48Å; Y186-Q190 PolarHBondContact O-N 3.36Å; Y186-Q190 PolarHBondContact OH-NE2 2.79Å; N187-Q190 PolarHBondContact O-N 3.27Å; Q190-L193 PolarHBondContact O-N 3.08Å; Q190-N194 WeakPolarHBondContact O-CB 3.37Å; Q190-N194 PolarHBondContact O-N 3.19Å; Q190-N194 PolarHBondContact O-ND2 3.31Å; Q190-N194 PolarHBondContact O-OD1 2.89Å; Q190-E316 PolarHBondContact NE2-OE1 3.07Å; Q190-E316 PolarHBondContact OE1-OE1 2.71Å |
| 191 | T | 97.2 | Very high | 93.8 | Very high | 72 Ų | 72 | 36.5 Ų | 36.5 | 44% | 0.442 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -64.8 | -42.7 | 175.9 | -57.7 | 0 | 0 | 0 | 0 | 111.9 | N187 E188 M189 N194 K195 | N187-T191 WeakPolarHBondContact O-CB 3.05Å; N187-T191 PolarHBondContact O-N 2.85Å; N187-T191 PolarHBondContact O-OG1 2.6Å; E188-T191 PolarHBondContact O-N 3.49Å; M189-T191 VanDerWaalsContact C-N 3.29Å; M189-T191 PolarHBondContact O-N 3.27Å; T191-N194 PolarHBondContact O-N 2.89Å; T191-K195 WeakPolarHBondContact O-CG 3.5Å; T191-K195 PolarHBondContact O-N 3.22Å |
| 192 | Q | 96.6 | Very high | 91.6 | Very high | 30 Ų | 30 | 42.7 Ų | 42.7 | 14% | 0.14 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.3 | -44.7 | 174.8 | -177.4 | -163.7 | 32.6 | 0 | 0 | 111.6 | W184 E188 M189 K195 L196 N374 | W184-Q192 HydrophobicContact CZ2-CB 4.41Å; E188-Q192 PolarHBondContact O-N 3.13Å; M189-Q192 WeakPolarHBondContact O-CB 3.46Å; M189-Q192 PolarHBondContact O-N 2.92Å; Q192-K195 WeakPolarHBondContact O-CB 3.49Å; Q192-K195 PolarHBondContact O-N 3.01Å; Q192-L196 PolarHBondContact O-N 3.06Å; Q192-N374 PolarHBondContact NE2-OD1 3.14Å; Q192-N374 PolarHBondContact OE1-OD1 2.66Å |
| 193 | L | 96.8 | Very high | 89.3 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -67.1 | -37.3 | 178.5 | -61.9 | -176.9 | 0 | 0 | 0 | 112.1 | M189 Q190 K195 L196 D197 R303 E316 L318 P401 | M189-L193 WeakPolarHBondContact O-CG 3.11Å; M189-L193 PolarHBondContact O-N 3.37Å; M189-L193 HydrophobicContact SD-CD1 3.65Å; M189-L193 HydrophobicContact SD-CG 4.36Å; Q190-L193 PolarHBondContact O-N 3.08Å; L193-K195 VanDerWaalsContact C-N 3.32Å; L193-K195 PolarHBondContact O-N 3.14Å; L193-L196 HydrophobicContact CD2-CD1 4.09Å; L193-L196 WeakPolarHBondContact O-CB 3.49Å; L193-L196 PolarHBondContact O-N 2.64Å; L193-D197 PolarHBondContact O-N 3.3Å; L193-R303 VanDerWaalsContact C-NH1 3.34Å; L193-E316 HydrophobicContact CD1-CB 3.85Å; L193-E316 HydrophobicContact CD1-CG 3.66Å; L193-L318 HydrophobicContact CD2-CD1 3.84Å; L193-L318 HydrophobicContact CD2-CD2 3.98Å; L193-L318 HydrophobicContact CD2-CG 4.45Å; L193-P401 HydrophobicContact CD1-CG 4.27Å |
| 194 | N | 95.9 | Very high | 86.9 | Confident | 89 Ų | 89 | 49 Ų | 49 | 48% | 0.476 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -65.4 | -35.1 | 173.2 | -66.5 | -10.5 | 0 | 0 | 0 | 111.9 | Q190 T191 D197 S198 R303 | Q190-N194 WeakPolarHBondContact O-CB 3.37Å; Q190-N194 PolarHBondContact O-N 3.19Å; Q190-N194 PolarHBondContact O-ND2 3.31Å; Q190-N194 PolarHBondContact O-OD1 2.89Å; T191-N194 PolarHBondContact O-N 2.89Å; N194-D197 PolarHBondContact O-N 2.93Å; N194-S198 PolarHBondContact O-N 3.37Å; N194-R303 PolarHBondContact OD1-NH1 2.79Å |
| 195 | K | 93.7 | Very high | 84.2 | Confident | 61 Ų | 61 | 52.9 Ų | 52.9 | 27% | 0.265 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -64 | -44.3 | 171.3 | -74.4 | 175.4 | 178.1 | 179.5 | 0 | 110.9 | T191 Q192 L193 S198 I199 P632 A634 | T191-K195 WeakPolarHBondContact O-CG 3.5Å; T191-K195 PolarHBondContact O-N 3.22Å; Q192-K195 WeakPolarHBondContact O-CB 3.49Å; Q192-K195 PolarHBondContact O-N 3.01Å; L193-K195 VanDerWaalsContact C-N 3.32Å; L193-K195 PolarHBondContact O-N 3.14Å; K195-S198 PolarHBondContact O-N 2.82Å; K195-S198 PolarHBondContact O-OG 3.02Å; K195-I199 WeakPolarHBondContact O-CG1 3.18Å; K195-I199 PolarHBondContact O-N 3.29Å; K195-I199 VanDerWaalsContact O-N 3.1Å; K195-P632 PolarHBondContact NZ-O 3.03Å; K195-A634 PolarHBondContact NZ-O 3.04Å |
| 196 | L | 93.4 | Very high | 81.2 | Confident | 1 Ų | 1 | 56.9 Ų | 56.9 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.5 | -44.1 | 173.7 | -73.2 | 171.3 | 0 | 0 | 0 | 112.3 | Q192 L193 S198 I199 F200 F301 L377 L381 F631 | Q192-L196 PolarHBondContact O-N 3.06Å; L193-L196 HydrophobicContact CD2-CD1 4.09Å; L193-L196 WeakPolarHBondContact O-CB 3.49Å; L193-L196 PolarHBondContact O-N 2.64Å; L196-S198 VanDerWaalsContact C-N 3.31Å; L196-S198 PolarHBondContact O-N 2.84Å; L196-I199 PolarHBondContact O-N 3.04Å; L196-F200 HydrophobicContact CD2-CE2 4.28Å; L196-F200 WeakPolarHBondContact O-CD2 3.44Å; L196-F200 PolarHBondContact O-N 3.04Å; L196-F301 HydrophobicContact CB-CE1 4.37Å; L196-F301 HydrophobicContact CB-CE2 4.49Å; L196-F301 HydrophobicContact CB-CZ 3.88Å; L196-F301 HydrophobicContact CD1-CE2 4.34Å; L196-F301 HydrophobicContact CD1-CZ 4.3Å; L196-L377 HydrophobicContact CD1-CD2 4.03Å; L196-L381 HydrophobicContact CD1-CD1 4.27Å; L196-L381 HydrophobicContact CD2-CD1 3.46Å; L196-L381 VanDerWaalsContact CD2-CD1 3.46Å; L196-F631 HydrophobicContact CD2-CE1 3.61Å; L196-F631 HydrophobicContact CD2-CZ 3.54Å; L196-F631 HydrophobicContact CG-CE1 4.21Å; L196-F631 HydrophobicContact CG-CZ 4.44Å |
| 197 | D | 90.7 | Very high | 78 | Confident | 49 Ų | 49 | 63.7 Ų | 63.7 | 26% | 0.262 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -60.2 | -42.1 | 174 | -69.2 | -31.1 | 0 | 0 | 0 | 110.9 | L193 N194 I199 F200 H201 R303 | L193-D197 PolarHBondContact O-N 3.3Å; N194-D197 PolarHBondContact O-N 2.93Å; D197-I199 VanDerWaalsContact C-N 3.29Å; D197-I199 PolarHBondContact O-N 2.85Å; D197-F200 CarbonylContact O-C 3.5Å; D197-F200 PolarHBondContact O-N 3.24Å; D197-H201 WeakPolarHBondContact O-CA 3.4Å; D197-H201 WeakPolarHBondContact O-CB 3.49Å; D197-H201 PolarHBondContact O-N 3.02Å; D197-R303 WeakPolarHBondContact OD1-CB 3.11Å; D197-R303 WeakPolarHBondContact OD1-CD 3.5Å; D197-R303 WeakPolarHBondContact OD2-CD 3.5Å; D197-R303 IonicContact OD2-CZ 3.94Å; D197-R303 IonicContact OD2-NE 2.69Å; D197-R303 IonicContact OD2-NH1 3.14Å; D197-R303 PolarHBondContact OD2-NH1 3.48Å |
| 198 | S | 88.9 | Confident | 75.2 | Confident | 74 Ų | 74 | 64 Ų | 64 | 52% | 0.517 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -60 | -40.1 | 177.5 | 73.7 | 0 | 0 | 0 | 0 | 112.5 | N194 K195 L196 Y202 | N194-S198 PolarHBondContact O-N 3.37Å; K195-S198 PolarHBondContact O-N 2.82Å; K195-S198 PolarHBondContact O-OG 3.02Å; L196-S198 VanDerWaalsContact C-N 3.31Å; L196-S198 PolarHBondContact O-N 2.84Å; S198-Y202 VanDerWaalsContact O-CB 3.31Å; S198-Y202 WeakPolarHBondContact O-CB 3.43Å; S198-Y202 PolarHBondContact O-N 3.04Å |
| 199 | I | 86.9 | Confident | 72.4 | Confident | 51 Ų | 51 | 70.1 Ų | 70.1 | 26% | 0.262 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -65.9 | -44.9 | 175.1 | -64.9 | 161.9 | 0 | 0 | 0 | 111 | K195 L196 D197 L295 F296 I629 F631 | K195-I199 WeakPolarHBondContact O-CG1 3.18Å; K195-I199 PolarHBondContact O-N 3.29Å; K195-I199 VanDerWaalsContact O-N 3.1Å; L196-I199 PolarHBondContact O-N 3.04Å; D197-I199 VanDerWaalsContact C-N 3.29Å; D197-I199 PolarHBondContact O-N 2.85Å; I199-L295 HydrophobicContact CG2-CD2 3.68Å; I199-F296 WeakPolarHBondContact O-CE2 3.31Å; I199-F296 WeakPolarHBondContact O-CZ 3.41Å; I199-I629 HydrophobicContact CD1-CG2 4.04Å; I199-F631 HydrophobicContact CD1-CD1 4.43Å; I199-F631 HydrophobicContact CD1-CE1 3.78Å |
| 200 | F | 86.4 | Confident | 69.9 | Low | 10 Ų | 10 | 72.2 Ų | 72.2 | 4% | 0.044 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -94 | 3.7 | -174.9 | -72.1 | -72.1 | 0 | 0 | 0 | 115.4 | L196 D197 L295 F296 I299 F301 L381 | L196-F200 HydrophobicContact CD2-CE2 4.28Å; L196-F200 WeakPolarHBondContact O-CD2 3.44Å; L196-F200 PolarHBondContact O-N 3.04Å; D197-F200 CarbonylContact O-C 3.5Å; D197-F200 PolarHBondContact O-N 3.24Å; F200-L295 HydrophobicContact CE1-CD1 4.45Å; F200-L295 HydrophobicContact CE1-CD2 3.99Å; F200-L295 HydrophobicContact CE1-CG 3.95Å; F200-L295 HydrophobicContact CZ-CD1 4.42Å; F200-L295 HydrophobicContact CZ-CD2 4.19Å; F200-L295 HydrophobicContact CZ-CG 4.32Å; F200-F296 VanDerWaalsContact C-CZ 3.49Å; F200-F296 VanDerWaalsContact CA-CZ 3.42Å; F200-F296 HydrophobicContact CB-CZ 4.48Å; F200-F296 HydrophobicContact CD1-CZ 4.35Å; F200-F296 VanDerWaalsContact O-CE1 3.24Å; F200-F296 WeakPolarHBondContact O-CE1 3.45Å; F200-I299 HydrophobicContact CE1-CB 4.24Å; F200-I299 HydrophobicContact CE1-CG2 4.22Å; F200-I299 HydrophobicContact CZ-CG2 4.3Å; F200-F301 HydrophobicContact CB-CB 4.2Å; F200-F301 HydrophobicContact CB-CD1 3.55Å; F200-F301 HydrophobicContact CB-CE1 4.26Å; F200-F301 HydrophobicContact CB-CG 4.13Å; F200-F301 HydrophobicContact CD1-CB 3.67Å; F200-F301 HydrophobicContact CD1-CG 4.27Å; F200-F301 HydrophobicContact CD2-CB 3.9Å; F200-F301 AromaticContact CD2-CD1 3.63Å; F200-F301 HydrophobicContact CD2-CD1 3.63Å; F200-F301 HydrophobicContact CD2-CD2 4.04Å; F200-F301 HydrophobicContact CD2-CE1 4.13Å; F200-F301 HydrophobicContact CD2-CE2 4.5Å; F200-F301 AromaticContact CD2-CG 3.58Å; F200-F301 HydrophobicContact CD2-CG 3.58Å; F200-F301 HydrophobicContact CE1-CB 3.94Å; F200-F301 HydrophobicContact CE2-CB 4.17Å; F200-F301 HydrophobicContact CE2-CD1 4.5Å; F200-F301 HydrophobicContact CE2-CD2 4.13Å; F200-F301 HydrophobicContact CE2-CG 4.02Å; F200-F301 HydrophobicContact CG-CB 3.65Å; F200-F301 AromaticContact CG-CD1 3.66Å; F200-F301 HydrophobicContact CG-CD1 3.66Å; F200-F301 HydrophobicContact CG-CE1 4.48Å; F200-F301 AromaticContact CG-CG 3.73Å; F200-F301 HydrophobicContact CG-CG 3.73Å; F200-F301 HydrophobicContact CZ-CB 4.2Å; F200-L381 HydrophobicContact CE2-CD2 3.84Å; F200-L381 HydrophobicContact CZ-CD2 3.85Å |
| 201 | H | 72.6 | Confident | 67.5 | Low | 103 Ų | 103 | 75.7 Ų | 75.7 | 48% | 0.477 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -111.9 | -35.7 | 177 | -171.6 | 91.2 | 0 | 0 | 0 | 112.3 | D197 N203 K204 N205 | D197-H201 WeakPolarHBondContact O-CA 3.4Å; D197-H201 WeakPolarHBondContact O-CB 3.49Å; D197-H201 PolarHBondContact O-N 3.02Å; H201-N203 VanDerWaalsContact C-N 3.27Å; H201-N203 PolarHBondContact O-N 3.09Å; H201-K204 PolarHBondContact O-N 3.35Å; H201-N205 PolarHBondContact CD2-ND2 3.21Å; H201-N205 PolarHBondContact NE2-ND2 3.08Å |
| 202 | Y | 49.5 | Very low | 65.6 | Low | 131 Ų | 131 | 75.5 Ų | 75.5 | 51% | 0.514 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -54.7 | -39.4 | -176.2 | -178 | -118.4 | 0 | 0 | 0 | 113.1 | S198 K206 | S198-Y202 VanDerWaalsContact O-CB 3.31Å; S198-Y202 WeakPolarHBondContact O-CB 3.43Å; S198-Y202 PolarHBondContact O-N 3.04Å; Y202-K206 HydrophobicContact CE1-CD 4.3Å; Y202-K206 VanDerWaalsContact CE1-CE 3.49Å; Y202-K206 VanDerWaalsContact CZ-NZ 3.34Å; Y202-K206 WeakPolarHBondContact OH-CE 3.41Å; Y202-K206 PolarHBondContact OH-NZ 3.41Å; Y202-K206 VanDerWaalsContact OH-NZ 3.08Å |
| 203 | N | 47.5 | Very low | 63.8 | Low | 17 Ų | 17 | 79.7 Ų | 79.7 | 9% | 0.091 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -88.8 | -1.9 | 179.9 | -55.1 | -22.1 | 0 | 0 | 0 | 114.7 | H201 N205 E292 F296 | H201-N203 VanDerWaalsContact C-N 3.27Å; H201-N203 PolarHBondContact O-N 3.09Å; N203-N205 VanDerWaalsContact C-N 3.35Å; N203-E292 PolarHBondContact ND2-O 3.49Å; N203-F296 HydrophobicContact CB-CD1 4.24Å; N203-F296 HydrophobicContact CB-CD2 3.79Å; N203-F296 HydrophobicContact CB-CE1 3.94Å; N203-F296 HydrophobicContact CB-CE2 3.5Å; N203-F296 HydrophobicContact CB-CG 4.14Å; N203-F296 HydrophobicContact CB-CZ 3.54Å; N203-F296 WeakPolarHBondContact ND2-CE2 3.44Å |
| 204 | K | 48.2 | Very low | 62.1 | Low | 134 Ų | 134 | 82.5 Ų | 82.5 | 58% | 0.583 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -72.1 | -30.7 | 165.7 | -78.5 | -173.8 | 177.5 | 176.4 | 0 | 112.3 | H201 F296 | H201-K204 PolarHBondContact O-N 3.35Å; K204-F296 HydrophobicContact CG-CE1 4.47Å |
| 205 | N | 38.7 | Very low | 60.2 | Low | 109 Ų | 109 | 78.7 Ų | 78.7 | 58% | 0.583 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -95.5 | -17.7 | -172.6 | -62.6 | -22.6 | 0 | 0 | 0 | 113.5 | H201 N203 N207 | H201-N205 PolarHBondContact CD2-ND2 3.21Å; H201-N205 PolarHBondContact NE2-ND2 3.08Å; N203-N205 VanDerWaalsContact C-N 3.35Å; N205-N207 VanDerWaalsContact C-N 3.29Å; N205-N207 PolarHBondContact O-N 3.47Å |
| 206 | K | 35.4 | Very low | 58.4 | Low | 94 Ų | 94 | 76 Ų | 76 | 41% | 0.409 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -76.9 | 69.5 | 175.9 | -83.7 | -174.8 | 174.6 | 170 | 0 | 112.3 | Y202 I208 | Y202-K206 HydrophobicContact CE1-CD 4.3Å; Y202-K206 VanDerWaalsContact CE1-CE 3.49Å; Y202-K206 VanDerWaalsContact CZ-NZ 3.34Å; Y202-K206 WeakPolarHBondContact OH-CE 3.41Å; Y202-K206 PolarHBondContact OH-NZ 3.41Å; Y202-K206 VanDerWaalsContact OH-NZ 3.08Å; K206-I208 WeakPolarHBondContact O-CG1 3.36Å; K206-I208 PolarHBondContact O-N 3Å |
| 207 | N | 30.5 | Very low | 56.7 | Low | 166 Ų | 166 | 80.3 Ų | 80.3 | 89% | 0.888 | 41% | 0.413 | S | S | * | . | trans | 45.4 | 13.8 | 152.6 | -83.9 | -13.5 | 0 | 0 | 0 | 120.8 | N205 N209 | N205-N207 VanDerWaalsContact C-N 3.29Å; N205-N207 PolarHBondContact O-N 3.47Å; N207-N209 PolarHBondContact O-N 3.17Å | ||
| 208 | I | 37.8 | Very low | 55.2 | Low | 88 Ų | 88 | 82.4 Ų | 82.4 | 45% | 0.451 | 42% | 0.42 | S | S | . | . | trans | -80 | 116 | 168.2 | -43.8 | 175.6 | 0 | 0 | 0 | 105.8 | K206 V210 | K206-I208 WeakPolarHBondContact O-CG1 3.36Å; K206-I208 PolarHBondContact O-N 3Å; I208-V210 HydrophobicContact CB-CG2 3.56Å; I208-V210 HydrophobicContact CD1-CG2 4.46Å; I208-V210 HydrophobicContact CG2-CB 4.33Å; I208-V210 HydrophobicContact CG2-CG2 3.54Å; I208-V210 PolarHBondContact O-N 2.64Å | ||
| 209 | N | 38 | Very low | 53.5 | Low | 167 Ų | 167 | 81.3 Ų | 81.3 | 89% | 0.893 | 40% | 0.404 | S | S | * | . | trans | -62.6 | 68.5 | 150.9 | -90.6 | -37.9 | 0 | 0 | 0 | 107 | N207 N211 | N207-N209 PolarHBondContact O-N 3.17Å; N209-N211 PolarHBondContact O-N 2.77Å | ||
| 210 | V | 44.8 | Very low | 51.9 | Low | 49 Ų | 49 | 82 Ų | 82 | 30% | 0.297 | 41% | 0.409 | S | S | . | . | trans | -65.8 | 100.2 | 170.1 | -168.7 | 0 | 0 | 0 | 0 | 102.9 | I208 N212 L215 | I208-V210 HydrophobicContact CB-CG2 3.56Å; I208-V210 HydrophobicContact CD1-CG2 4.46Å; I208-V210 HydrophobicContact CG2-CB 4.33Å; I208-V210 HydrophobicContact CG2-CG2 3.54Å; I208-V210 PolarHBondContact O-N 2.64Å; V210-N212 PolarHBondContact O-N 3.11Å; V210-L215 HydrophobicContact CG1-CD1 3.46Å; V210-L215 VanDerWaalsContact CG1-CD1 3.46Å; V210-L215 HydrophobicContact CG1-CG 3.78Å | ||
| 211 | N | 48.5 | Very low | 49.9 | Very low | 95 Ų | 95 | 86 Ų | 86 | 51% | 0.508 | 43% | 0.434 | S | S | . | . | trans | -66.3 | 95.8 | 170.8 | -168.9 | 6.9 | 0 | 0 | 0 | 104.1 | N209 E213 S214 L215 | N209-N211 PolarHBondContact O-N 2.77Å; N211-E213 PolarHBondContact O-N 3.48Å; N211-E213 VanDerWaalsContact O-N 3.15Å; N211-S214 WeakPolarHBondContact O-CA 2.99Å; N211-S214 WeakPolarHBondContact O-CB 3.41Å; N211-S214 PolarHBondContact O-N 2.99Å; N211-S214 PolarHBondContact O-OG 3.21Å; N211-L215 PolarHBondContact O-N 2.99Å | ||
| 212 | N | 56.7 | Low | 48.2 | Very low | 67 Ų | 67 | 88.1 Ų | 88.1 | 36% | 0.358 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -59.4 | -33.5 | -169.2 | -71.3 | -44.9 | 0 | 0 | 0 | 110.1 | V210 S214 L215 C216 F328 | V210-N212 PolarHBondContact O-N 3.11Å; N212-S214 VanDerWaalsContact C-N 3.3Å; N212-S214 PolarHBondContact O-N 3.42Å; N212-L215 PolarHBondContact O-N 2.87Å; N212-L215 VanDerWaalsContact O-N 3.11Å; N212-C216 PolarHBondContact O-N 3.41Å; N212-C216 VanDerWaalsContact O-N 3.1Å; N212-F328 VanDerWaalsContact C-CZ 3.42Å; N212-F328 HydrophobicContact CB-CD1 4.22Å; N212-F328 HydrophobicContact CB-CE1 3.61Å; N212-F328 HydrophobicContact CB-CZ 4.13Å; N212-F328 WeakPolarHBondContact O-CZ 3.24Å |
| 213 | E | 58.3 | Low | 47.4 | Very low | 119 Ų | 119 | 89.2 Ų | 89.2 | 56% | 0.556 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -54.7 | -39.9 | 167.3 | -64 | -174.6 | 166.9 | 0 | 0 | 113 | N211 L215 C216 N217 F328 | N211-E213 PolarHBondContact O-N 3.48Å; N211-E213 VanDerWaalsContact O-N 3.15Å; E213-L215 PolarHBondContact O-N 3.38Å; E213-C216 PolarHBondContact O-N 3.2Å; E213-N217 WeakPolarHBondContact O-CB 2.93Å; E213-N217 PolarHBondContact O-N 3.34Å; E213-N217 PolarHBondContact O-ND2 3.22Å; E213-N217 VanDerWaalsContact O-ND2 3.15Å; E213-F328 HydrophobicContact CG-CD2 4.44Å; E213-F328 HydrophobicContact CG-CE2 4.26Å |
| 214 | S | 61.2 | Low | 46.4 | Very low | 59 Ų | 59 | 94.8 Ų | 94.8 | 41% | 0.413 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -67.9 | -30.7 | 175.8 | 76.7 | 0 | 0 | 0 | 0 | 113.4 | N211 N212 K218 | N211-S214 WeakPolarHBondContact O-CA 2.99Å; N211-S214 WeakPolarHBondContact O-CB 3.41Å; N211-S214 PolarHBondContact O-N 2.99Å; N211-S214 PolarHBondContact O-OG 3.21Å; N212-S214 VanDerWaalsContact C-N 3.3Å; N212-S214 PolarHBondContact O-N 3.42Å; S214-K218 WeakPolarHBondContact O-CB 3.06Å; S214-K218 PolarHBondContact O-N 3.36Å |
| 215 | L | 57.3 | Low | 45.4 | Very low | 9 Ų | 9 | 95.8 Ų | 95.8 | 5% | 0.047 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -67 | -52.6 | 171 | -75.5 | -178.1 | 0 | 0 | 0 | 110.9 | V210 N211 N212 E213 N217 K218 Y219 D297 | V210-L215 HydrophobicContact CG1-CD1 3.46Å; V210-L215 VanDerWaalsContact CG1-CD1 3.46Å; V210-L215 HydrophobicContact CG1-CG 3.78Å; N211-L215 PolarHBondContact O-N 2.99Å; N212-L215 PolarHBondContact O-N 2.87Å; N212-L215 VanDerWaalsContact O-N 3.11Å; E213-L215 PolarHBondContact O-N 3.38Å; L215-N217 VanDerWaalsContact C-N 3.28Å; L215-N217 PolarHBondContact O-N 3.46Å; L215-K218 WeakPolarHBondContact O-CB 3.3Å; L215-K218 PolarHBondContact O-N 3.04Å; L215-K218 VanDerWaalsContact O-N 3.11Å; L215-Y219 WeakPolarHBondContact O-CD2 3.37Å; L215-Y219 PolarHBondContact O-N 3.1Å; L215-D297 HydrophobicContact CD2-CB 4.19Å; L215-D297 VanDerWaalsContact CD2-CG 3.5Å; L215-D297 WeakPolarHBondContact CD2-OD1 3.37Å |
| 216 | C | 54.9 | Low | 44.8 | Very low | 5 Ų | 5 | 95.6 Ų | 95.6 | 3% | 0.034 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -60.9 | -38.8 | 178 | -173.2 | 0 | 0 | 0 | 0 | 111.3 | N212 E213 Y219 N220 C326 F328 | N212-C216 PolarHBondContact O-N 3.41Å; N212-C216 VanDerWaalsContact O-N 3.1Å; E213-C216 PolarHBondContact O-N 3.2Å; C216-Y219 PolarHBondContact O-N 3.2Å; C216-N220 VanDerWaalsContact O-CB 3.26Å; C216-N220 WeakPolarHBondContact O-CB 3.48Å; C216-N220 PolarHBondContact O-N 3.26Å; C216-N220 PolarHBondContact O-ND2 2.98Å; C216-N220 PolarHBondContact SG-ND2 2.83Å; C216-C326 PolarHBondContact SG-O 3.02Å; C216-C326 VanDerWaalsContact SG-O 3.38Å; C216-F328 HydrophobicContact CB-CE2 3.63Å; C216-F328 HydrophobicContact CB-CZ 3.42Å; C216-F328 VanDerWaalsContact CB-CZ 3.42Å |
| 217 | N | 58.4 | Low | 44.4 | Very low | 91 Ų | 91 | 98 Ų | 98 | 49% | 0.487 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64 | -42.5 | 172.6 | -71.4 | -24.7 | 0 | 0 | 0 | 112.4 | E213 L215 Y219 N220 T221 | E213-N217 WeakPolarHBondContact O-CB 2.93Å; E213-N217 PolarHBondContact O-N 3.34Å; E213-N217 PolarHBondContact O-ND2 3.22Å; E213-N217 VanDerWaalsContact O-ND2 3.15Å; L215-N217 VanDerWaalsContact C-N 3.28Å; L215-N217 PolarHBondContact O-N 3.46Å; N217-Y219 VanDerWaalsContact C-N 3.31Å; N217-Y219 PolarHBondContact O-N 2.94Å; N217-N220 PolarHBondContact O-N 3.42Å; N217-T221 VanDerWaalsContact O-CB 3.31Å; N217-T221 WeakPolarHBondContact O-CB 3.1Å; N217-T221 VanDerWaalsContact O-CG2 3.3Å; N217-T221 WeakPolarHBondContact O-CG2 3.49Å; N217-T221 PolarHBondContact O-N 3.48Å; N217-T221 PolarHBondContact O-OG1 2.76Å |
| 218 | K | 60 | Low | 44.3 | Very low | 92 Ų | 92 | 96.8 Ų | 96.8 | 40% | 0.4 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -56 | -44.3 | 174.1 | 178.9 | -179 | 174.9 | -176.3 | 0 | 111.1 | S214 L215 T221 M222 D297 | S214-K218 WeakPolarHBondContact O-CB 3.06Å; S214-K218 PolarHBondContact O-N 3.36Å; L215-K218 WeakPolarHBondContact O-CB 3.3Å; L215-K218 PolarHBondContact O-N 3.04Å; L215-K218 VanDerWaalsContact O-N 3.11Å; K218-T221 PolarHBondContact O-OG1 3.03Å; K218-M222 WeakPolarHBondContact O-CG 3.42Å; K218-D297 IonicContact NZ-OD2 3.08Å; K218-D297 PolarHBondContact NZ-OD2 3.48Å |
| 219 | Y | 53.1 | Low | 43.9 | Very low | 51 Ų | 51 | 99 Ų | 99 | 20% | 0.2 | 52% | 0.521 | C | S | . | . | H | α-helix | trans | -77.3 | -30.4 | 177.8 | -69.6 | -68.4 | 0 | 0 | 0 | 114.6 | L215 C216 N217 D297 W323 | L215-Y219 WeakPolarHBondContact O-CD2 3.37Å; L215-Y219 PolarHBondContact O-N 3.1Å; C216-Y219 PolarHBondContact O-N 3.2Å; N217-Y219 VanDerWaalsContact C-N 3.31Å; N217-Y219 PolarHBondContact O-N 2.94Å; Y219-D297 WeakPolarHBondContact CE2-O 3.39Å; Y219-D297 VanDerWaalsContact OH-C 3.29Å; Y219-D297 PolarHBondContact OH-O 2.96Å; Y219-W323 HydrophobicContact CD2-CB 3.97Å; Y219-W323 HydrophobicContact CE2-CB 4.36Å |
| 220 | N | 52.2 | Low | 43.4 | Very low | 67 Ų | 67 | 98 Ų | 98 | 36% | 0.358 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -78.8 | -37.5 | 177.5 | -67.9 | -21.5 | 0 | 0 | 0 | 112.3 | C216 N217 M222 K223 | C216-N220 VanDerWaalsContact O-CB 3.26Å; C216-N220 WeakPolarHBondContact O-CB 3.48Å; C216-N220 PolarHBondContact O-N 3.26Å; C216-N220 PolarHBondContact O-ND2 2.98Å; C216-N220 PolarHBondContact SG-ND2 2.83Å; N217-N220 PolarHBondContact O-N 3.42Å; N220-M222 VanDerWaalsContact C-N 3.31Å; N220-M222 PolarHBondContact O-N 2.77Å; N220-K223 PolarHBondContact O-N 2.75Å |
| 221 | T | 44.4 | Very low | 42.7 | Very low | 93 Ų | 93 | 102.7 Ų | 102.7 | 57% | 0.571 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -68.3 | -28.5 | 179.3 | 49.1 | 0 | 0 | 0 | 0 | 112.7 | N217 K218 K223 L224 | N217-T221 VanDerWaalsContact O-CB 3.31Å; N217-T221 WeakPolarHBondContact O-CB 3.1Å; N217-T221 VanDerWaalsContact O-CG2 3.3Å; N217-T221 WeakPolarHBondContact O-CG2 3.49Å; N217-T221 PolarHBondContact O-N 3.48Å; N217-T221 PolarHBondContact O-OG1 2.76Å; K218-T221 PolarHBondContact O-OG1 3.03Å; T221-K223 PolarHBondContact O-N 3.3Å; T221-L224 PolarHBondContact O-N 3.06Å |
| 222 | M | 37.6 | Very low | 41.7 | Very low | 147 Ų | 147 | 107.3 Ų | 107.3 | 72% | 0.724 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62 | -5.5 | 171.4 | -76.2 | -177.6 | 174.3 | 0 | 0 | 114.6 | K218 N220 | K218-M222 WeakPolarHBondContact O-CG 3.42Å; N220-M222 VanDerWaalsContact C-N 3.31Å; N220-M222 PolarHBondContact O-N 2.77Å |
| 223 | K | 33.1 | Very low | 40.2 | Very low | 155 Ų | 155 | 113.4 Ų | 113.4 | 67% | 0.674 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102 | 2.6 | 171.8 | -92.5 | -174.5 | 173.5 | 179.8 | 0 | 115.1 | N220 T221 | N220-K223 PolarHBondContact O-N 2.75Å; T221-K223 PolarHBondContact O-N 3.3Å |
| 224 | L | 26.6 | Very low | 38.7 | Very low | 133 Ų | 133 | 116.3 Ų | 116.3 | 70% | 0.696 | 59% | 0.592 | S | S | * | * | trans | -137.1 | 76.7 | -175.3 | -74.3 | 170.5 | 0 | 0 | 0 | 113 | T221 | T221-L224 PolarHBondContact O-N 3.06Š| ||
| 225 | N | 25.2 | Very low | 37 | Very low | 156 Ų | 156 | 119.6 Ų | 119.6 | 83% | 0.834 | 61% | 0.605 | S | S | * | * | trans | -143.6 | 88.2 | 150.3 | -94.9 | -20.7 | 0 | 0 | 0 | 108.2 | I227 | N225-I227 PolarHBondContact O-N 3.27Š| ||
| 226 | P | 27.6 | Very low | 35.4 | Very low | 104 Ų | 104 | 124 Ų | 124 | 68% | 0.675 | 63% | 0.634 | S | S | * | * | trans | -60.8 | 133.6 | 160.6 | 28.7 | -32.3 | 0 | 0 | 0 | 107.7 | N228 | P226-N228 PolarHBondContact O-N 3.28Š| ||
| 227 | I | 27.2 | Very low | 34 | Very low | 145 Ų | 145 | 132.7 Ų | 132.7 | 74% | 0.744 | 67% | 0.671 | S | S | * | * | trans | -68.9 | 95.4 | 179.9 | -60.9 | 169.4 | 0 | 0 | 0 | 107.9 | N225 N229 | N225-I227 PolarHBondContact O-N 3.27Å; I227-N229 VanDerWaalsContact CG2-OD1 3.28Å; I227-N229 WeakPolarHBondContact CG2-OD1 3.17Å; I227-N229 PolarHBondContact O-N 3.32Å | ||
| 228 | N | 27 | Very low | 32.5 | Very low | 140 Ų | 140 | 134.9 Ų | 134.9 | 75% | 0.749 | 68% | 0.682 | S | S | * | * | trans | -72.5 | 82.6 | 168.2 | -94.5 | 7.9 | 0 | 0 | 0 | 108.7 | P226 D230 | P226-N228 PolarHBondContact O-N 3.28Å; N228-D230 PolarHBondContact O-N 2.94Å | ||
| 229 | N | 29.7 | Very low | 30.9 | Very low | 136 Ų | 136 | 138.1 Ų | 138.1 | 73% | 0.727 | 70% | 0.704 | S | S | * | * | trans | -74.2 | 74.2 | 162.5 | -74.3 | -23.2 | 0 | 0 | 0 | 109 | I227 | I227-N229 VanDerWaalsContact CG2-OD1 3.28Å; I227-N229 WeakPolarHBondContact CG2-OD1 3.17Å; I227-N229 PolarHBondContact O-N 3.32Å | ||
| 230 | D | 27.8 | Very low | 29.5 | Very low | 146 Ų | 146 | 139.7 Ų | 139.7 | 78% | 0.781 | 72% | 0.722 | S | S | * | * | trans | -168.6 | 47.1 | 168.7 | -100.4 | -27.6 | 0 | 0 | 0 | 112.6 | N228 | N228-D230 PolarHBondContact O-N 2.94Š| ||
| 231 | D | 29.8 | Very low | 28.4 | Very low | 147 Ų | 147 | 142.4 Ų | 142.4 | 79% | 0.786 | 75% | 0.746 | S | S | * | * | trans | -113.2 | 105.6 | 159.1 | -86.2 | -45.4 | 0 | 0 | 0 | 108.5 | F233 | D231-F233 PolarHBondContact O-N 3.13Š| ||
| 232 | K | 27.9 | Very low | 27.7 | Very low | 191 Ų | 191 | 143.8 Ų | 143.8 | 83% | 0.83 | 75% | 0.75 | S | S | * | * | trans | -72.6 | 126 | 178.8 | -72.6 | -179.2 | 177.9 | 178 | 0 | 109.7 | E234 | K232-E234 PolarHBondContact O-N 2.92Š| ||
| 233 | F | 26 | Very low | 27.2 | Very low | 196 Ų | 196 | 144.1 Ų | 144.1 | 86% | 0.86 | 75% | 0.754 | S | S | * | * | trans | -63.8 | 103.2 | 165.3 | -76.8 | -105.7 | 0 | 0 | 0 | 109.4 | D231 | D231-F233 PolarHBondContact O-N 3.13Š| ||
| 234 | E | 25.9 | Very low | 26.8 | Very low | 179 Ų | 179 | 144.6 Ų | 144.6 | 84% | 0.836 | 76% | 0.763 | S | S | * | * | trans | -97.5 | 116.9 | 153.5 | -73.6 | -170.6 | 164.5 | 0 | 0 | 107.5 | K232 P236 | K232-E234 PolarHBondContact O-N 2.92Å; E234-P236 WeakPolarHBondContact O-CD 3.44Å | ||
| 235 | D | 24.9 | Very low | 26.8 | Very low | 128 Ų | 128 | 143.9 Ų | 143.9 | 68% | 0.684 | 76% | 0.764 | S | S | * | * | trans | -67 | 119.6 | 179.5 | -76.7 | -48.5 | 0 | 0 | 0 | 112 | F237 | D235-F237 HydrophobicContact CB-CD2 4.04Å; D235-F237 HydrophobicContact CB-CE2 4.15Å | ||
| 236 | P | 25.3 | Very low | 26.9 | Very low | 103 Ų | 103 | 140.7 Ų | 140.7 | 67% | 0.669 | 75% | 0.754 | S | S | * | * | trans | -96.5 | 97.3 | 153.5 | 25.3 | -5.4 | 0 | 0 | 0 | 107.2 | E234 I238 | E234-P236 WeakPolarHBondContact O-CD 3.44Å; P236-I238 VanDerWaalsContact C-N 3.27Å; P236-I238 HydrophobicContact CB-CG1 4.47Å; P236-I238 PolarHBondContact O-N 3.32Å | ||
| 237 | F | 25.3 | Very low | 26.7 | Very low | 186 Ų | 186 | 145.1 Ų | 145.1 | 82% | 0.816 | 76% | 0.763 | S | S | * | * | trans | -57.7 | 88.7 | 168.9 | -88.4 | -99.1 | 0 | 0 | 0 | 110.4 | D235 | D235-F237 HydrophobicContact CB-CD2 4.04Å; D235-F237 HydrophobicContact CB-CE2 4.15Å | ||
| 238 | I | 26.6 | Very low | 26.5 | Very low | 137 Ų | 137 | 143.6 Ų | 143.6 | 70% | 0.703 | 76% | 0.757 | S | S | * | * | trans | -111.2 | 95.1 | 171.2 | -61.7 | -179.4 | 0 | 0 | 0 | 107.6 | P236 S240 | P236-I238 VanDerWaalsContact C-N 3.27Å; P236-I238 HydrophobicContact CB-CG1 4.47Å; P236-I238 PolarHBondContact O-N 3.32Å; I238-S240 PolarHBondContact O-N 3.08Å; I238-S240 VanDerWaalsContact O-N 3.08Å | ||
| 239 | N | 25.6 | Very low | 26.3 | Very low | 161 Ų | 161 | 145.8 Ų | 145.8 | 86% | 0.861 | 76% | 0.764 | S | S | * | * | trans | -60.4 | 105.3 | 165.6 | -82.4 | -38.2 | 0 | 0 | 0 | 109.6 | ||||
| 240 | S | 23.8 | Very low | 26 | Very low | 84 Ų | 84 | 144.8 Ų | 144.8 | 59% | 0.587 | 76% | 0.759 | S | S | * | * | trans | -145.9 | 96 | 156.3 | 51.7 | 0 | 0 | 0 | 0 | 111.3 | I238 D242 | I238-S240 PolarHBondContact O-N 3.08Å; I238-S240 VanDerWaalsContact O-N 3.08Å; S240-D242 PolarHBondContact O-N 2.84Å | ||
| 241 | S | 28.4 | Very low | 25.8 | Very low | 124 Ų | 124 | 147.8 Ų | 147.8 | 87% | 0.867 | 77% | 0.765 | S | S | * | * | trans | -65.1 | 76.4 | 163.4 | 52.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 242 | D | 31.5 | Very low | 25.6 | Very low | 122 Ų | 122 | 147.1 Ų | 147.1 | 65% | 0.652 | 77% | 0.767 | S | S | * | * | trans | -144.7 | 10.8 | 178.7 | -100 | -35.1 | 0 | 0 | 0 | 115 | S240 | S240-D242 PolarHBondContact O-N 2.84Š| ||
| 243 | L | 25.2 | Very low | 25.4 | Very low | 154 Ų | 154 | 146.8 Ų | 146.8 | 81% | 0.806 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -111.4 | 24.9 | 175.9 | -72.3 | 178.1 | 0 | 0 | 0 | 114.5 | ||
| 244 | L | 25.4 | Very low | 25.2 | Very low | 165 Ų | 165 | 146.5 Ų | 146.5 | 86% | 0.864 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -117.9 | 8 | 174.2 | -90.5 | 169.3 | 0 | 0 | 0 | 115 | ||
| 245 | T | 28 | Very low | 25.1 | Very low | 117 Ų | 117 | 144.7 Ų | 144.7 | 72% | 0.718 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -102.9 | 1.6 | 178.6 | 45.5 | 0 | 0 | 0 | 0 | 114.5 | ||
| 246 | S | 25.4 | Very low | 25.1 | Very low | 89 Ų | 89 | 145.8 Ų | 145.8 | 62% | 0.622 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -107.6 | 7.2 | -179 | 58.3 | 0 | 0 | 0 | 0 | 115.8 | ||
| 247 | F | 23.6 | Very low | 25 | Very low | 198 Ų | 198 | 144.2 Ų | 144.2 | 87% | 0.868 | 77% | 0.772 | S | S | * | * | trans | -104.4 | 55.1 | 165.5 | -83.9 | -78.2 | 0 | 0 | 0 | 111.8 | ||||
| 248 | N | 23.3 | Very low | 25 | Very low | 112 Ų | 112 | 141 Ų | 141 | 60% | 0.599 | 77% | 0.768 | S | S | * | * | trans | -131.7 | 61.3 | 174.7 | -146.1 | -12.6 | 0 | 0 | 0 | 111.4 | N250 | N248-N250 PolarHBondContact O-N 3.09Š| ||
| 249 | M | 22.5 | Very low | 24.9 | Very low | 186 Ų | 186 | 139.9 Ų | 139.9 | 92% | 0.916 | 77% | 0.767 | S | S | * | * | trans | -68.6 | 81.2 | 165.1 | -84.3 | -89.4 | 80 | 0 | 0 | 109.1 | K251 | M249-K251 PolarHBondContact O-N 2.81Š| ||
| 250 | N | 24 | Very low | 24.7 | Very low | 116 Ų | 116 | 139.1 Ų | 139.1 | 62% | 0.62 | 76% | 0.763 | S | S | * | * | trans | -57.4 | 132.1 | 179.8 | -91.4 | -62.3 | 0 | 0 | 0 | 111.6 | N248 T252 | N248-N250 PolarHBondContact O-N 3.09Å; N250-T252 PolarHBondContact O-N 2.82Å | ||
| 251 | K | 24.5 | Very low | 24.7 | Very low | 208 Ų | 208 | 140.3 Ų | 140.3 | 90% | 0.904 | 77% | 0.767 | S | S | * | * | trans | -56.9 | 101.8 | 178.6 | -66.7 | 169.2 | 175.9 | 173.1 | 0 | 111.8 | M249 | M249-K251 PolarHBondContact O-N 2.81Š| ||
| 252 | T | 23.9 | Very low | 24.4 | Very low | 133 Ų | 133 | 141.6 Ų | 141.6 | 82% | 0.816 | 76% | 0.763 | S | S | * | * | trans | -107.6 | 88.2 | 165.4 | 50.3 | 0 | 0 | 0 | 0 | 111.6 | N250 | N250-T252 PolarHBondContact O-N 2.82Š| ||
| 253 | K | 24.9 | Very low | 24 | Very low | 184 Ų | 184 | 140.9 Ų | 140.9 | 80% | 0.8 | 77% | 0.765 | S | S | * | * | trans | 27.8 | 95.2 | 155.7 | -68.1 | -178.3 | 174 | 177.9 | 0 | 116.9 | I255 | K253-I255 HydrophobicContact CB-CG1 4.25Å; K253-I255 PolarHBondContact O-N 3.39Å | ||
| 254 | M | 21.7 | Very low | 23.9 | Very low | 190 Ų | 190 | 139.9 Ų | 139.9 | 94% | 0.936 | 77% | 0.765 | S | S | * | * | trans | -53.7 | 128.4 | 144.8 | -73 | -71.3 | -168.5 | 0 | 0 | 108.9 | ||||
| 255 | I | 23.2 | Very low | 23.8 | Very low | 142 Ų | 142 | 137.2 Ų | 137.2 | 73% | 0.728 | 76% | 0.76 | S | S | * | * | trans | -125.7 | 103.5 | 169.5 | -62.5 | -178.4 | 0 | 0 | 0 | 108.6 | K253 | K253-I255 HydrophobicContact CB-CG1 4.25Å; K253-I255 PolarHBondContact O-N 3.39Å | ||
| 256 | N | 24.7 | Very low | 23.6 | Very low | 150 Ų | 150 | 137 Ų | 137 | 80% | 0.802 | 76% | 0.764 | S | S | * | * | trans | 10.2 | 105 | 158.3 | -59.5 | -5.2 | 0 | 0 | 0 | 117.8 | ||||
| 257 | G | 24.4 | Very low | 23.5 | Very low | 71 Ų | 71 | 137 Ų | 137 | 73% | 0.732 | 77% | 0.769 | S | S | * | * | trans | -111 | 93.3 | 153.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | V259 | G257-V259 PolarHBondContact O-N 3.13Å; G257-V259 VanDerWaalsContact O-N 3.15Å | ||
| 258 | T | 24.1 | Very low | 23.5 | Very low | 119 Ų | 119 | 136 Ų | 136 | 73% | 0.73 | 77% | 0.772 | S | S | * | * | trans | -64 | 111 | -174.1 | -39.7 | 0 | 0 | 0 | 0 | 111.6 | N260 | T258-N260 PolarHBondContact O-N 3.21Š| ||
| 259 | V | 24 | Very low | 23.5 | Very low | 113 Ų | 113 | 135.7 Ų | 135.7 | 69% | 0.685 | 78% | 0.779 | S | S | * | * | trans | -86.3 | 104.2 | 169.4 | 177 | 0 | 0 | 0 | 0 | 108.2 | G257 T261 | G257-V259 PolarHBondContact O-N 3.13Å; G257-V259 VanDerWaalsContact O-N 3.15Å; V259-T261 HydrophobicContact CG1-CG2 3.76Å; V259-T261 PolarHBondContact O-N 3.1Å | ||
| 260 | N | 22.9 | Very low | 23.6 | Very low | 145 Ų | 145 | 132.2 Ų | 132.2 | 78% | 0.775 | 77% | 0.773 | S | S | * | * | trans | -74.7 | 67.5 | 172 | -74.6 | -8.7 | 0 | 0 | 0 | 110.8 | T258 I262 | T258-N260 PolarHBondContact O-N 3.21Å; N260-I262 PolarHBondContact O-N 3.33Å | ||
| 261 | T | 23.6 | Very low | 23.6 | Very low | 109 Ų | 109 | 132.4 Ų | 132.4 | 67% | 0.669 | 78% | 0.783 | S | S | * | * | trans | -85.6 | 100.2 | 160.9 | 38.7 | 0 | 0 | 0 | 0 | 108.1 | V259 P263 | V259-T261 HydrophobicContact CG1-CG2 3.76Å; V259-T261 PolarHBondContact O-N 3.1Å; T261-P263 WeakPolarHBondContact O-CD 3.47Å | ||
| 262 | I | 21 | Very low | 23.5 | Very low | 150 Ų | 150 | 131.1 Ų | 131.1 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | trans | -68.5 | 109.1 | 169.1 | -61.2 | 169.3 | 0 | 0 | 0 | 107.1 | N260 T264 | N260-I262 PolarHBondContact O-N 3.33Å; I262-T264 HydrophobicContact CG2-CG2 4.42Å; I262-T264 PolarHBondContact O-N 2.73Å | ||
| 263 | P | 24.8 | Very low | 23.5 | Very low | 108 Ų | 108 | 130.1 Ų | 130.1 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | trans | -90.2 | 106.7 | 174.3 | 19 | 0.3 | 0 | 0 | 0 | 107 | T261 S265 | T261-P263 WeakPolarHBondContact O-CD 3.47Å; P263-S265 PolarHBondContact O-N 3.28Å | ||
| 264 | T | 21.6 | Very low | 23.4 | Very low | 133 Ų | 133 | 128 Ų | 128 | 82% | 0.816 | 79% | 0.79 | S | S | * | * | trans | -71.6 | 74 | 170.5 | 50.9 | 0 | 0 | 0 | 0 | 109.6 | I262 | I262-T264 HydrophobicContact CG2-CG2 4.42Å; I262-T264 PolarHBondContact O-N 2.73Å | ||
| 265 | S | 24 | Very low | 23.5 | Very low | 109 Ų | 109 | 124.2 Ų | 124.2 | 76% | 0.762 | 78% | 0.782 | S | S | * | * | trans | -103.6 | 88.7 | 174.6 | -172.3 | 0 | 0 | 0 | 0 | 108.8 | P263 | P263-S265 PolarHBondContact O-N 3.28Š| ||
| 266 | S | 22.8 | Very low | 23.6 | Very low | 112 Ų | 112 | 123 Ų | 123 | 78% | 0.783 | 79% | 0.786 | S | S | * | * | trans | -145.1 | 123.2 | 168.3 | 56.1 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 267 | A | 23.9 | Very low | 23.6 | Very low | 89 Ų | 89 | 121.6 Ų | 121.6 | 74% | 0.736 | 79% | 0.788 | S | S | * | * | cis | -128.6 | 137.2 | 31.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 268 | L | 24.1 | Very low | 23.6 | Very low | 177 Ų | 177 | 123.7 Ų | 123.7 | 93% | 0.927 | 79% | 0.792 | S | S | * | * | trans | -124 | 107.5 | 152.6 | -85.8 | 170 | 0 | 0 | 0 | 107.8 | ||||
| 269 | S | 23.8 | Very low | 23.6 | Very low | 106 Ų | 106 | 123.1 Ų | 123.1 | 74% | 0.741 | 79% | 0.793 | S | S | * | * | trans | -162.8 | 134.9 | 170.8 | 54.6 | 0 | 0 | 0 | 0 | 107 | ||||
| 270 | S | 23.5 | Very low | 23.7 | Very low | 113 Ų | 113 | 125 Ų | 125 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | cis | -168.4 | 130.4 | -1.4 | 43.5 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 271 | S | 24.4 | Very low | 23.7 | Very low | 120 Ų | 120 | 124 Ų | 124 | 84% | 0.839 | 80% | 0.803 | S | S | * | * | trans | -154 | 59.3 | 167.2 | 48.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 272 | L | 22.9 | Very low | 23.8 | Very low | 181 Ų | 181 | 124.1 Ų | 124.1 | 95% | 0.948 | 81% | 0.808 | S | S | * | * | trans | -79.1 | 110.6 | 163.4 | -84.3 | 159 | 0 | 0 | 0 | 109.5 | ||||
| 273 | S | 23.5 | Very low | 24 | Very low | 112 Ų | 112 | 121.8 Ų | 121.8 | 78% | 0.783 | 81% | 0.805 | S | S | * | * | trans | -169.5 | 86.6 | 152.1 | 45.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 274 | C | 21.7 | Very low | 24.1 | Very low | 140 Ų | 140 | 121.4 Ų | 121.4 | 95% | 0.946 | 81% | 0.805 | S | S | * | * | trans | -158.8 | 131.2 | 142.5 | -110.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 275 | S | 25 | Very low | 24.2 | Very low | 109 Ų | 109 | 120.6 Ų | 120.6 | 76% | 0.762 | 80% | 0.803 | S | S | * | * | trans | -89.5 | 122.6 | -165.2 | 44 | 0 | 0 | 0 | 0 | 113 | ||||
| 276 | S | 24.1 | Very low | 24.4 | Very low | 117 Ų | 117 | 121.6 Ų | 121.6 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | 40.4 | 99.5 | 139 | 61.6 | 0 | 0 | 0 | 0 | 119 | ||||
| 277 | S | 25.7 | Very low | 24.8 | Very low | 120 Ų | 120 | 121.3 Ų | 121.3 | 84% | 0.839 | 80% | 0.795 | S | S | * | * | trans | -123.1 | 118.7 | 142.6 | 58 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 278 | S | 24.4 | Very low | 25.2 | Very low | 115 Ų | 115 | 125.6 Ų | 125.6 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | trans | -83.8 | 167.6 | -174.4 | 48.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 279 | S | 24 | Very low | 25.4 | Very low | 108 Ų | 108 | 122.1 Ų | 122.1 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | trans | 75.7 | 140.4 | -175.5 | 82.1 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 280 | L | 25.5 | Very low | 25.9 | Very low | 152 Ų | 152 | 123.1 Ų | 123.1 | 80% | 0.796 | 78% | 0.781 | S | S | * | * | cis | -115.9 | 168.3 | -2.8 | -76.2 | 86.2 | 0 | 0 | 0 | 111 | S282 | L280-S282 VanDerWaalsContact C-N 3.3Å; L280-S282 PolarHBondContact O-N 3.2Å | ||
| 281 | S | 24.1 | Very low | 26.8 | Very low | 125 Ų | 125 | 121.8 Ų | 121.8 | 87% | 0.874 | 77% | 0.769 | S | S | * | * | trans | -67.6 | 79.4 | 174.5 | 55.5 | 0 | 0 | 0 | 0 | 112.3 | S283 | S281-S283 PolarHBondContact O-N 2.87Š| ||
| 282 | S | 25.5 | Very low | 28 | Very low | 110 Ų | 110 | 122.2 Ų | 122.2 | 77% | 0.769 | 76% | 0.758 | S | S | * | * | trans | -67.9 | 120.4 | 159.3 | 48.1 | 0 | 0 | 0 | 0 | 108.4 | L280 S284 | L280-S282 VanDerWaalsContact C-N 3.3Å; L280-S282 PolarHBondContact O-N 3.2Å; S282-S284 PolarHBondContact O-N 2.97Å | ||
| 283 | S | 25.4 | Very low | 29.6 | Very low | 102 Ų | 102 | 117.1 Ų | 117.1 | 71% | 0.713 | 73% | 0.732 | S | S | * | * | trans | -54.2 | 122.7 | 171.3 | 47.8 | 0 | 0 | 0 | 0 | 109.2 | S281 C285 | S281-S283 PolarHBondContact O-N 2.87Å; S283-C285 PolarHBondContact O-N 3.48Å | ||
| 284 | S | 25.4 | Very low | 31.6 | Very low | 100 Ų | 100 | 114 Ų | 114 | 70% | 0.699 | 71% | 0.706 | S | S | * | * | trans | -61.4 | 103.6 | 172.9 | 49.2 | 0 | 0 | 0 | 0 | 109 | S282 D286 | S282-S284 PolarHBondContact O-N 2.97Å; S284-D286 PolarHBondContact O-N 3.47Å | ||
| 285 | C | 23.7 | Very low | 34 | Very low | 115 Ų | 115 | 108.4 Ų | 108.4 | 78% | 0.777 | 67% | 0.667 | S | S | * | * | trans | -68.8 | 81.7 | 163.7 | -62.6 | 0 | 0 | 0 | 0 | 107.7 | S283 P287 | S283-C285 PolarHBondContact O-N 3.48Å; C285-P287 WeakPolarHBondContact O-CD 3.42Å | ||
| 286 | D | 28.9 | Very low | 36.2 | Very low | 131 Ų | 131 | 104.7 Ų | 104.7 | 70% | 0.701 | 64% | 0.637 | S | S | * | * | trans | -54.8 | 118.8 | 158.4 | -79.4 | -43 | 0 | 0 | 0 | 106.3 | S284 E288 | S284-D286 PolarHBondContact O-N 3.47Å; D286-E288 PolarHBondContact O-N 2.76Å | ||
| 287 | P | 31 | Very low | 38.6 | Very low | 105 Ų | 105 | 100.8 Ų | 100.8 | 68% | 0.682 | 61% | 0.607 | S | S | * | * | trans | -67 | 110.7 | -172.7 | 25.5 | -32.9 | 0 | 0 | 0 | 108.6 | C285 C289 | C285-P287 WeakPolarHBondContact O-CD 3.42Å; P287-C289 PolarHBondContact O-N 2.98Å | ||
| 288 | E | 32.3 | Very low | 41.4 | Very low | 179 Ų | 179 | 98 Ų | 98 | 84% | 0.836 | 58% | 0.58 | S | S | * | * | trans | -58.2 | 101.5 | 179.7 | -69.8 | -166 | 154.1 | 0 | 0 | 109.6 | D286 F290 | D286-E288 PolarHBondContact O-N 2.76Å; E288-F290 PolarHBondContact O-N 2.66Å | ||
| 289 | C | 29.6 | Very low | 44.7 | Very low | 105 Ų | 105 | 92.6 Ų | 92.6 | 71% | 0.709 | 54% | 0.542 | S | S | * | . | trans | -67 | 103.6 | 173.6 | -165.4 | 0 | 0 | 0 | 0 | 107.1 | P287 | P287-C289 PolarHBondContact O-N 2.98Š| ||
| 290 | F | 32.9 | Very low | 48.1 | Very low | 127 Ų | 127 | 88 Ų | 88 | 56% | 0.557 | 51% | 0.508 | S | S | * | . | trans | -46.1 | 127.9 | -176.8 | -73.6 | -86.9 | 0 | 0 | 0 | 110.5 | E288 E292 | E288-F290 PolarHBondContact O-N 2.66Å; F290-E292 PolarHBondContact O-N 3.33Å | ||
| 291 | P | 43.8 | Very low | 51.4 | Low | 84 Ų | 84 | 81.4 Ų | 81.4 | 55% | 0.545 | 47% | 0.473 | S | S | . | . | trans | -60.1 | 134.1 | -175.3 | 23.6 | -33.3 | 0 | 0 | 0 | 110.4 | N293 D294 | P291-N293 PolarHBondContact O-N 2.72Å; P291-D294 PolarHBondContact O-N 3Å | ||
| 292 | E | 49.6 | Very low | 54.8 | Low | 129 Ų | 129 | 76.6 Ų | 76.6 | 60% | 0.603 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | -16.4 | -170.9 | -60 | 179.9 | 136.1 | 0 | 0 | 115.6 | N203 F290 D294 L295 | N203-E292 PolarHBondContact ND2-O 3.49Å; F290-E292 PolarHBondContact O-N 3.33Å; E292-D294 VanDerWaalsContact C-N 3.26Å; E292-D294 PolarHBondContact O-N 3.2Å; E292-L295 PolarHBondContact O-N 2.58Å |
| 293 | N | 56.3 | Low | 58.2 | Low | 75 Ų | 75 | 73 Ų | 73 | 40% | 0.401 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -34.7 | 173.8 | -62.3 | -15.2 | 0 | 0 | 0 | 112.5 | P291 L295 F296 D297 | P291-N293 PolarHBondContact O-N 2.72Å; N293-L295 PolarHBondContact O-N 3.07Å; N293-L295 VanDerWaalsContact O-N 3.13Å; N293-F296 PolarHBondContact O-N 3.04Å; N293-F296 VanDerWaalsContact O-N 3.12Å; N293-D297 PolarHBondContact O-N 2.95Å |
| 294 | D | 65.9 | Low | 61.5 | Low | 46 Ų | 46 | 68.9 Ų | 68.9 | 25% | 0.246 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -58.5 | -29.3 | -176.7 | -114.2 | 47.5 | 0 | 0 | 0 | 113.5 | P291 E292 F296 K298 I383 | P291-D294 PolarHBondContact O-N 3Å; E292-D294 VanDerWaalsContact C-N 3.26Å; E292-D294 PolarHBondContact O-N 3.2Å; D294-F296 VanDerWaalsContact C-N 3.33Å; D294-F296 PolarHBondContact O-N 3.28Å; D294-K298 WeakPolarHBondContact O-CG 3.43Å; D294-K298 PolarHBondContact O-N 3.44Å; D294-K298 IonicContact OD2-NZ 3.83Å; D294-K298 PolarHBondContact OD2-NZ 3.33Å; D294-I383 HydrophobicContact CB-CD1 4.2Å |
| 295 | L | 71.8 | Confident | 65 | Low | 23 Ų | 23 | 64.2 Ų | 64.2 | 12% | 0.12 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63.4 | -39.9 | 179.4 | -176.6 | 69.3 | 0 | 0 | 0 | 112 | I199 F200 E292 N293 I299 I383 I629 | I199-L295 HydrophobicContact CG2-CD2 3.68Å; F200-L295 HydrophobicContact CE1-CD1 4.45Å; F200-L295 HydrophobicContact CE1-CD2 3.99Å; F200-L295 HydrophobicContact CE1-CG 3.95Å; F200-L295 HydrophobicContact CZ-CD1 4.42Å; F200-L295 HydrophobicContact CZ-CD2 4.19Å; F200-L295 HydrophobicContact CZ-CG 4.32Å; E292-L295 PolarHBondContact O-N 2.58Å; N293-L295 PolarHBondContact O-N 3.07Å; N293-L295 VanDerWaalsContact O-N 3.13Å; L295-I299 HydrophobicContact CD1-CD1 3.74Å; L295-I299 HydrophobicContact CD1-CG1 4.44Å; L295-I299 WeakPolarHBondContact O-CB 3.34Å; L295-I299 PolarHBondContact O-N 3.49Å; L295-I383 HydrophobicContact CB-CD1 4.19Å; L295-I383 HydrophobicContact CD1-CB 4.08Å; L295-I383 HydrophobicContact CD1-CD1 4.16Å; L295-I383 HydrophobicContact CD1-CG1 4.39Å; L295-I629 HydrophobicContact CD1-CD1 4.39Å |
| 296 | F | 70.6 | Confident | 68.5 | Low | 31 Ų | 31 | 58.7 Ų | 58.7 | 14% | 0.136 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -80.3 | -36.6 | -176 | -77.7 | -108.1 | 0 | 0 | 0 | 111.6 | I199 F200 N203 K204 N293 D294 K298 W323 | I199-F296 WeakPolarHBondContact O-CE2 3.31Å; I199-F296 WeakPolarHBondContact O-CZ 3.41Å; F200-F296 VanDerWaalsContact C-CZ 3.49Å; F200-F296 VanDerWaalsContact CA-CZ 3.42Å; F200-F296 HydrophobicContact CB-CZ 4.48Å; F200-F296 HydrophobicContact CD1-CZ 4.35Å; F200-F296 VanDerWaalsContact O-CE1 3.24Å; F200-F296 WeakPolarHBondContact O-CE1 3.45Å; N203-F296 HydrophobicContact CB-CD1 4.24Å; N203-F296 HydrophobicContact CB-CD2 3.79Å; N203-F296 HydrophobicContact CB-CE1 3.94Å; N203-F296 HydrophobicContact CB-CE2 3.5Å; N203-F296 HydrophobicContact CB-CG 4.14Å; N203-F296 HydrophobicContact CB-CZ 3.54Å; N203-F296 WeakPolarHBondContact ND2-CE2 3.44Å; K204-F296 HydrophobicContact CG-CE1 4.47Å; N293-F296 PolarHBondContact O-N 3.04Å; N293-F296 VanDerWaalsContact O-N 3.12Å; D294-F296 VanDerWaalsContact C-N 3.33Å; D294-F296 PolarHBondContact O-N 3.28Å; F296-K298 PolarHBondContact O-N 2.86Å; F296-W323 PolarHBondContact O-NE1 2.71Å |
| 297 | D | 75.3 | Confident | 71.7 | Confident | 34 Ų | 34 | 52.5 Ų | 52.5 | 18% | 0.182 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -57.5 | -35.7 | 171.5 | -90.4 | 34.2 | 0 | 0 | 0 | 111.4 | L215 K218 Y219 N293 W323 | L215-D297 HydrophobicContact CD2-CB 4.19Å; L215-D297 VanDerWaalsContact CD2-CG 3.5Å; L215-D297 WeakPolarHBondContact CD2-OD1 3.37Å; K218-D297 IonicContact NZ-OD2 3.08Å; K218-D297 PolarHBondContact NZ-OD2 3.48Å; Y219-D297 WeakPolarHBondContact CE2-O 3.39Å; Y219-D297 VanDerWaalsContact OH-C 3.29Å; Y219-D297 PolarHBondContact OH-O 2.96Å; N293-D297 PolarHBondContact O-N 2.95Å; D297-W323 VanDerWaalsContact O-CD1 3.23Å |
| 298 | K | 83.7 | Confident | 74.9 | Confident | 62 Ų | 62 | 49.6 Ų | 49.6 | 27% | 0.27 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -97.3 | -27 | -173.1 | -70.8 | 166.7 | 177.5 | 161.7 | 0 | 115 | D294 F296 I383 | D294-K298 WeakPolarHBondContact O-CG 3.43Å; D294-K298 PolarHBondContact O-N 3.44Å; D294-K298 IonicContact OD2-NZ 3.83Å; D294-K298 PolarHBondContact OD2-NZ 3.33Å; F296-K298 PolarHBondContact O-N 2.86Å; K298-I383 HydrophobicContact CB-CG1 4.4Å; K298-I383 HydrophobicContact CD-CD1 4.02Å; K298-I383 HydrophobicContact CD-CG1 3.67Å |
| 299 | I | 93.4 | Very high | 77.9 | Confident | 2 Ų | 2 | 41.3 Ų | 41.3 | 1% | 0.01 | 21% | 0.21 | C | C | . | . | trans | -124 | 118.7 | -172.7 | -49.2 | -173.8 | 0 | 0 | 0 | 111.1 | F200 L295 I320 L381 I383 | F200-I299 HydrophobicContact CE1-CB 4.24Å; F200-I299 HydrophobicContact CE1-CG2 4.22Å; F200-I299 HydrophobicContact CZ-CG2 4.3Å; L295-I299 HydrophobicContact CD1-CD1 3.74Å; L295-I299 HydrophobicContact CD1-CG1 4.44Å; L295-I299 WeakPolarHBondContact O-CB 3.34Å; L295-I299 PolarHBondContact O-N 3.49Å; I299-I320 HydrophobicContact CG2-CG2 4.4Å; I299-L381 WeakPolarHBondContact CD1-O 3.48Å; I299-L381 HydrophobicContact CG2-CD2 4.3Å; I299-I383 HydrophobicContact CD1-CB 4.5Å | ||
| 300 | Y | 94.6 | Very high | 80.9 | Confident | 10 Ų | 10 | 36.8 Ų | 36.8 | 4% | 0.039 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 114.4 | 162.6 | -175.6 | -95.1 | 0 | 0 | 0 | 109.5 | H302 T319 I320 T321 W323 P347 W348 F350 | Y300-H302 HydrophobicContact CE1-CB 3.85Å; Y300-T319 HydrophobicContact CD1-CG2 4.34Å; Y300-T319 HydrophobicContact CE1-CG2 4.05Å; Y300-I320 WeakPolarHBondContact O-CA 3.49Å; Y300-T321 WeakPolarHBondContact CB-O 3.48Å; Y300-T321 HydrophobicContact CD1-CG2 3.86Å; Y300-T321 HydrophobicContact CG-CG2 4.2Å; Y300-T321 PolarHBondContact N-O 3.17Å; Y300-T321 PolarHBondContact O-N 3.24Å; Y300-T321 VanDerWaalsContact O-N 3.09Å; Y300-W323 HydrophobicContact CD2-CD2 4.28Å; Y300-W323 HydrophobicContact CD2-CE3 4.04Å; Y300-W323 AromaticContact CD2-CH2 3.62Å; Y300-W323 HydrophobicContact CD2-CH2 3.62Å; Y300-W323 AromaticContact CD2-CZ2 3.84Å; Y300-W323 HydrophobicContact CD2-CZ2 3.84Å; Y300-W323 AromaticContact CD2-CZ3 3.71Å; Y300-W323 HydrophobicContact CD2-CZ3 3.71Å; Y300-W323 AromaticContact CE2-CH2 3.98Å; Y300-W323 HydrophobicContact CE2-CH2 3.98Å; Y300-W323 HydrophobicContact CE2-CZ3 4.03Å; Y300-P347 HydrophobicContact CE1-CB 4.3Å; Y300-P347 VanDerWaalsContact OH-CA 3.27Å; Y300-P347 WeakPolarHBondContact OH-CA 3.19Å; Y300-W348 AromaticContact CE2-CD1 3.39Å; Y300-W348 HydrophobicContact CE2-CG 4.32Å; Y300-W348 AromaticContact CZ-CD1 3.81Å; Y300-W348 PolarHBondContact OH-N 2.94Å; Y300-F350 HydrophobicContact CD1-CE2 4.03Å; Y300-F350 AromaticContact CD1-CZ 3.75Å; Y300-F350 HydrophobicContact CD1-CZ 3.75Å; Y300-F350 HydrophobicContact CD2-CZ 4.19Å; Y300-F350 HydrophobicContact CE1-CE2 4.01Å; Y300-F350 HydrophobicContact CE1-CZ 4.06Å; Y300-F350 HydrophobicContact CE2-CZ 4.5Å; Y300-F350 AromaticContact CG-CZ 3.81Å; Y300-F350 HydrophobicContact CG-CZ 3.81Å |
| 301 | F | 95.5 | Very high | 83.8 | Confident | 14 Ų | 14 | 33.4 Ų | 33.4 | 6% | 0.061 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 132.1 | 172.5 | 179.9 | -90.4 | 0 | 0 | 0 | 110.3 | L196 F200 R303 L318 I320 L381 | L196-F301 HydrophobicContact CB-CE1 4.37Å; L196-F301 HydrophobicContact CB-CE2 4.49Å; L196-F301 HydrophobicContact CB-CZ 3.88Å; L196-F301 HydrophobicContact CD1-CE2 4.34Å; L196-F301 HydrophobicContact CD1-CZ 4.3Å; F200-F301 HydrophobicContact CB-CB 4.2Å; F200-F301 HydrophobicContact CB-CD1 3.55Å; F200-F301 HydrophobicContact CB-CE1 4.26Å; F200-F301 HydrophobicContact CB-CG 4.13Å; F200-F301 HydrophobicContact CD1-CB 3.67Å; F200-F301 HydrophobicContact CD1-CG 4.27Å; F200-F301 HydrophobicContact CD2-CB 3.9Å; F200-F301 AromaticContact CD2-CD1 3.63Å; F200-F301 HydrophobicContact CD2-CD1 3.63Å; F200-F301 HydrophobicContact CD2-CD2 4.04Å; F200-F301 HydrophobicContact CD2-CE1 4.13Å; F200-F301 HydrophobicContact CD2-CE2 4.5Å; F200-F301 AromaticContact CD2-CG 3.58Å; F200-F301 HydrophobicContact CD2-CG 3.58Å; F200-F301 HydrophobicContact CE1-CB 3.94Å; F200-F301 HydrophobicContact CE2-CB 4.17Å; F200-F301 HydrophobicContact CE2-CD1 4.5Å; F200-F301 HydrophobicContact CE2-CD2 4.13Å; F200-F301 HydrophobicContact CE2-CG 4.02Å; F200-F301 HydrophobicContact CG-CB 3.65Å; F200-F301 AromaticContact CG-CD1 3.66Å; F200-F301 HydrophobicContact CG-CD1 3.66Å; F200-F301 HydrophobicContact CG-CE1 4.48Å; F200-F301 AromaticContact CG-CG 3.73Å; F200-F301 HydrophobicContact CG-CG 3.73Å; F200-F301 HydrophobicContact CZ-CB 4.2Å; F301-R303 HydrophobicContact CE1-CB 4.09Å; F301-R303 HydrophobicContact CZ-CB 4.31Å; F301-L318 HydrophobicContact CZ-CD2 4.21Å; F301-I320 HydrophobicContact CD2-CD1 4.16Å; F301-I320 HydrophobicContact CD2-CG1 3.96Å; F301-I320 HydrophobicContact CE2-CD1 4.29Å; F301-I320 HydrophobicContact CE2-CG1 4.39Å; F301-L381 HydrophobicContact CD2-CD2 4Å |
| 302 | H | 95.6 | Very high | 86.1 | Confident | 25 Ų | 25 | 30.6 Ų | 30.6 | 12% | 0.116 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 127 | 173.1 | -176.4 | 105.7 | 0 | 0 | 0 | 110.4 | Y300 L318 T319 S345 P347 | Y300-H302 HydrophobicContact CE1-CB 3.85Å; H302-L318 CarbonylContact O-C 3.58Å; H302-L318 WeakPolarHBondContact O-CA 3.28Å; H302-T319 PolarHBondContact N-O 3.47Å; H302-T319 PolarHBondContact O-N 3.4Å; H302-S345 PolarHBondContact CE1-O 3.47Å; H302-S345 VanDerWaalsContact CE1-O 3.28Å; H302-P347 HydrophobicContact CB-CB 4.13Å |
| 303 | R | 96.6 | Very high | 88.3 | Confident | 34 Ų | 34 | 25.6 Ų | 25.6 | 13% | 0.128 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 137 | 172 | 176.3 | -165.4 | 174.1 | 179.6 | 0.7 | 109.7 | L193 N194 D197 F301 E316 L318 | L193-R303 VanDerWaalsContact C-NH1 3.34Å; N194-R303 PolarHBondContact OD1-NH1 2.79Å; D197-R303 WeakPolarHBondContact OD1-CB 3.11Å; D197-R303 WeakPolarHBondContact OD1-CD 3.5Å; D197-R303 WeakPolarHBondContact OD2-CD 3.5Å; D197-R303 IonicContact OD2-CZ 3.94Å; D197-R303 IonicContact OD2-NE 2.69Å; D197-R303 IonicContact OD2-NH1 3.14Å; D197-R303 PolarHBondContact OD2-NH1 3.48Å; F301-R303 HydrophobicContact CE1-CB 4.09Å; F301-R303 HydrophobicContact CZ-CB 4.31Å; R303-E316 IonicContact CZ-OE1 3.53Å; R303-E316 IonicContact CZ-OE2 3.61Å; R303-E316 IonicContact NE-OE1 3.86Å; R303-E316 IonicContact NE-OE2 3.16Å; R303-E316 PolarHBondContact NE-OE2 2.69Å; R303-E316 IonicContact NH2-OE1 3.69Å; R303-E316 PolarHBondContact NH2-OE1 2.78Å; R303-E316 IonicContact NH2-OE2 2.69Å; R303-E316 PolarHBondContact NH2-OE2 3.15Å; R303-L318 HydrophobicContact CB-CD2 3.83Å; R303-L318 HydrophobicContact CG-CD2 3.72Å |
| 304 | E | 95.8 | Very high | 90.3 | Very high | 15 Ų | 15 | 24.7 Ų | 24.7 | 7% | 0.07 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 162.2 | 176.6 | 58.9 | -177 | 155 | 0 | 0 | 112.9 | L306 L317 R346 P347 | E304-L306 PolarHBondContact O-N 3.41Å; E304-L317 HydrophobicContact CG-CB 4.09Å; E304-L317 HydrophobicContact CG-CD2 4.47Å; E304-L317 HydrophobicContact CG-CG 4.46Å; E304-L317 PolarHBondContact N-O 3.18Å; E304-L317 PolarHBondContact O-N 3.35Å; E304-R346 IonicContact OE1-CZ 3.23Å; E304-R346 IonicContact OE1-NH1 3.61Å; E304-R346 PolarHBondContact OE1-NH1 3.24Å; E304-R346 WeakPolarHBondContact OE2-CD 3.48Å; E304-R346 IonicContact OE2-CZ 3.77Å; E304-R346 IonicContact OE2-NE 2.81Å; E304-R346 IonicContact OE2-NH1 2.7Å; E304-R346 PolarHBondContact OE2-NH1 3.26Å; E304-P347 VanDerWaalsContact OE1-CD 3.24Å; E304-P347 WeakPolarHBondContact OE1-CD 3.47Å; E304-P347 WeakPolarHBondContact OE1-CG 3.49Å; E304-P347 WeakPolarHBondContact OE2-CD 3.4Å |
| 305 | L | 97.3 | Very high | 91.8 | Very high | 2 Ų | 2 | 22.5 Ų | 22.5 | 1% | 0.01 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 114.5 | 171.4 | -175.8 | 50.6 | 0 | 0 | 0 | 110 | C307 Y308 R314 I315 F339 P340 | L305-C307 WeakPolarHBondContact CD1-O 3.13Å; L305-Y308 HydrophobicContact CD2-CD1 4.25Å; L305-Y308 HydrophobicContact CD2-CD2 4.29Å; L305-Y308 HydrophobicContact CD2-CE1 3.64Å; L305-Y308 HydrophobicContact CD2-CE2 3.69Å; L305-Y308 WeakPolarHBondContact CD2-OH 3.42Å; L305-R314 HydrophobicContact CD1-CB 3.67Å; L305-R314 HydrophobicContact CD1-CG 3.89Å; L305-R314 HydrophobicContact CD2-CG 4.32Å; L305-I315 WeakPolarHBondContact CD1-O 3.44Å; L305-F339 WeakPolarHBondContact O-CA 3.33Å; L305-P340 HydrophobicContact CB-CG 4.4Å; L305-P340 HydrophobicContact CD2-CG 3.39Å; L305-P340 HydrophobicContact CG-CG 3.66Å |
| 306 | L | 98.1 | Very high | 93 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | -54.3 | 174 | 173.9 | 59.3 | 0 | 0 | 0 | 110.9 | E304 I315 L317 L338 F339 I400 A439 | E304-L306 PolarHBondContact O-N 3.41Å; L306-I315 HydrophobicContact CB-CG2 4.41Å; L306-I315 WeakPolarHBondContact CB-O 3.47Å; L306-I315 HydrophobicContact CD2-CG2 4.18Å; L306-I315 PolarHBondContact N-O 2.88Å; L306-L317 HydrophobicContact CB-CB 4.07Å; L306-L338 HydrophobicContact CD1-CD1 4.28Å; L306-F339 HydrophobicContact CD1-CD1 4.36Å; L306-F339 HydrophobicContact CD1-CE1 3.44Å; L306-F339 VanDerWaalsContact CD1-CE1 3.44Å; L306-F339 HydrophobicContact CD1-CZ 3.7Å; L306-F339 PolarHBondContact O-N 3.47Å; L306-I400 HydrophobicContact CD2-CD1 3.75Å; L306-I400 HydrophobicContact CD2-CG1 4.33Å; L306-A439 HydrophobicContact CD1-CB 4.01Å; L306-A439 HydrophobicContact CD2-CB 3.83Å; L306-A439 HydrophobicContact CG-CB 3.71Å |
| 307 | C | 96.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160 | 171.2 | 174 | 72.6 | 0 | 0 | 0 | 0 | 110.7 | L305 I315 L338 Y431 A439 | L305-C307 WeakPolarHBondContact CD1-O 3.13Å; C307-I315 VanDerWaalsContact O-CB 3.29Å; C307-I315 WeakPolarHBondContact O-CB 3.47Å; C307-I315 PolarHBondContact O-N 3.26Å; C307-L338 HydrophobicContact CB-CD2 4.16Å; C307-Y431 HydrophobicContact CB-CE2 4.38Å; C307-A439 HydrophobicContact CB-CB 4.27Å |
| 308 | Y | 96.7 | Very high | 95.5 | Very high | 45 Ų | 45 | 18.4 Ų | 18.4 | 18% | 0.176 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 149.2 | 165 | -71.3 | -71.3 | 0 | 0 | 0 | 111 | L305 G312 R313 R314 P340 P435 Y1009 | L305-Y308 HydrophobicContact CD2-CD1 4.25Å; L305-Y308 HydrophobicContact CD2-CD2 4.29Å; L305-Y308 HydrophobicContact CD2-CE1 3.64Å; L305-Y308 HydrophobicContact CD2-CE2 3.69Å; L305-Y308 WeakPolarHBondContact CD2-OH 3.42Å; Y308-G312 WeakPolarHBondContact CD1-O 3.22Å; Y308-R313 CarbonylContact C-O 3.58Å; Y308-R313 WeakPolarHBondContact CA-O 3.41Å; Y308-R314 HydrophobicContact CE1-CG 4.12Å; Y308-P340 HydrophobicContact CD2-CB 4.33Å; Y308-P340 HydrophobicContact CD2-CG 3.91Å; Y308-P340 HydrophobicContact CE2-CB 3.93Å; Y308-P340 HydrophobicContact CE2-CG 3.6Å; Y308-P435 WeakPolarHBondContact O-CB 3.35Å; Y308-P435 WeakPolarHBondContact O-CG 3.37Å; Y308-Y1009 AromaticContact CD2-CD2 3.9Å; Y308-Y1009 HydrophobicContact CD2-CD2 3.9Å; Y308-Y1009 HydrophobicContact CD2-CE2 4.31Å; Y308-Y1009 HydrophobicContact CD2-CG 4.09Å; Y308-Y1009 HydrophobicContact CE2-CD2 4.27Å; Y308-Y1009 HydrophobicContact CE2-CE2 4.43Å |
| 309 | S | 96 | Very high | 96.2 | Very high | 4 Ų | 4 | 15.5 Ų | 15.5 | 3% | 0.028 | 7% | 0.072 | C | C | . | . | trans | -73.8 | 179 | 166.3 | 72.7 | 0 | 0 | 0 | 0 | 111.1 | E311 G312 R313 D406 | S309-E311 VanDerWaalsContact C-N 3.28Å; S309-E311 PolarHBondContact O-N 2.95Å; S309-G312 PolarHBondContact O-N 3.33Å; S309-G312 VanDerWaalsContact O-N 3.08Å; S309-G312 PolarHBondContact OG-N 3.43Å; S309-R313 PolarHBondContact N-O 3.03Å; S309-R313 WeakPolarHBondContact OG-CA 3.43Å; S309-R313 WeakPolarHBondContact OG-CB 3.46Å; S309-R313 PolarHBondContact OG-N 3.27Å; S309-R313 PolarHBondContact OG-O 3.1Å; S309-D406 WeakPolarHBondContact CB-OD1 3.44Å; S309-D406 WeakPolarHBondContact CB-OD2 3.34Å; S309-D406 PolarHBondContact OG-OD1 3.18Å; S309-D406 PolarHBondContact OG-OD2 2.79Å | ||
| 310 | L | 92.5 | Very high | 96.4 | Very high | 10 Ų | 10 | 15.4 Ų | 15.4 | 5% | 0.052 | 7% | 0.072 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -37 | -178.1 | -170.3 | 67.7 | 0 | 0 | 0 | 112 | D406 R418 S1005 N1007 P1008 | L310-D406 PolarHBondContact N-OD2 3.39Å; L310-R418 HydrophobicContact CD2-CG 3.62Å; L310-S1005 WeakPolarHBondContact CD1-O 3.46Å; L310-N1007 HydrophobicContact CD1-CB 4.15Å; L310-P1008 WeakPolarHBondContact O-CD 3.44Å |
| 311 | E | 93.5 | Very high | 96.5 | Very high | 57 Ų | 57 | 14.9 Ų | 14.9 | 27% | 0.266 | 7% | 0.07 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | 10.8 | 176.1 | -62.1 | -167.3 | 166.8 | 0 | 0 | 114.5 | S309 R313 D406 H410 T417 K817 | S309-E311 VanDerWaalsContact C-N 3.28Å; S309-E311 PolarHBondContact O-N 2.95Å; E311-R313 VanDerWaalsContact CB-NH1 3.34Å; E311-R313 IonicContact OE2-CZ 2.68Å; E311-R313 VanDerWaalsContact OE2-CZ 3.25Å; E311-R313 IonicContact OE2-NH1 3.7Å; E311-R313 PolarHBondContact OE2-NH1 2.78Å; E311-R313 IonicContact OE2-NH2 3.54Å; E311-R313 PolarHBondContact OE2-NH2 2.95Å; E311-D406 HydrophobicContact CG-CB 4.41Å; E311-D406 PolarHBondContact N-OD2 2.91Å; E311-H410 IonicContact OE1-CD2 3.98Å; E311-H410 IonicContact OE1-CE1 2.75Å; E311-H410 IonicContact OE1-NE2 2.71Å; E311-H410 PolarHBondContact OE1-NE2 3.2Å; E311-H410 IonicContact OE2-CD2 3.84Å; E311-H410 IonicContact OE2-CE1 3.34Å; E311-H410 IonicContact OE2-NE2 2.79Å; E311-H410 PolarHBondContact OE2-NE2 3.14Å; E311-T417 WeakPolarHBondContact OE1-CG2 3.32Å; E311-K817 PolarHBondContact O-NZ 3.37Å |
| 312 | G | 92.9 | Very high | 96.5 | Very high | 24 Ų | 24 | 15 Ų | 15 | 25% | 0.247 | 7% | 0.071 | C | C | . | . | S | Bend | trans | 79.7 | 21.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y308 S309 | Y308-G312 WeakPolarHBondContact CD1-O 3.22Å; S309-G312 PolarHBondContact O-N 3.33Å; S309-G312 VanDerWaalsContact O-N 3.08Å; S309-G312 PolarHBondContact OG-N 3.43Å |
| 313 | R | 95.6 | Very high | 96.4 | Very high | 25 Ų | 25 | 15 Ų | 15 | 9% | 0.094 | 7% | 0.07 | C | C | . | . | trans | -79.5 | 157.1 | 167.4 | -65.3 | -177.3 | -168.9 | 73.5 | 4.8 | 110.2 | Y186 Y308 S309 E311 P405 D406 F409 | Y186-R313 HydrophobicContact CE1-CB 4.41Å; Y186-R313 HydrophobicContact CE1-CG 4.28Å; Y186-R313 HydrophobicContact CE2-CB 3.94Å; Y308-R313 CarbonylContact C-O 3.58Å; Y308-R313 WeakPolarHBondContact CA-O 3.41Å; S309-R313 PolarHBondContact N-O 3.03Å; S309-R313 WeakPolarHBondContact OG-CA 3.43Å; S309-R313 WeakPolarHBondContact OG-CB 3.46Å; S309-R313 PolarHBondContact OG-N 3.27Å; S309-R313 PolarHBondContact OG-O 3.1Å; E311-R313 VanDerWaalsContact CB-NH1 3.34Å; E311-R313 IonicContact OE2-CZ 2.68Å; E311-R313 VanDerWaalsContact OE2-CZ 3.25Å; E311-R313 IonicContact OE2-NH1 3.7Å; E311-R313 PolarHBondContact OE2-NH1 2.78Å; E311-R313 IonicContact OE2-NH2 3.54Å; E311-R313 PolarHBondContact OE2-NH2 2.95Å; R313-P405 HydrophobicContact CB-CB 4.14Å; R313-P405 HydrophobicContact CB-CG 4.02Å; R313-D406 IonicContact CZ-OD1 3.74Å; R313-D406 VanDerWaalsContact NH1-CG 3.34Å; R313-D406 IonicContact NH1-OD1 3.11Å; R313-D406 PolarHBondContact NH1-OD1 3.06Å; R313-F409 VanDerWaalsContact NE-CB 3.32Å; R313-F409 VanDerWaalsContact NE-CG 3.3Å | ||
| 314 | R | 97.4 | Very high | 96.1 | Very high | 55 Ų | 55 | 14.3 Ų | 14.3 | 21% | 0.208 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 125.2 | -175.7 | -68 | 179 | 63.5 | 97.1 | -5.5 | 110.8 | Y186 L305 Y308 E316 D341 | Y186-R314 PolarHBondContact OH-N 3.13Å; L305-R314 HydrophobicContact CD1-CB 3.67Å; L305-R314 HydrophobicContact CD1-CG 3.89Å; L305-R314 HydrophobicContact CD2-CG 4.32Å; Y308-R314 HydrophobicContact CE1-CG 4.12Å; R314-E316 HydrophobicContact CB-CG 4.45Å; R314-E316 WeakPolarHBondContact CB-OE1 3.4Å; R314-E316 WeakPolarHBondContact CD-OE1 3.44Å; R314-E316 IonicContact CZ-OE1 3.82Å; R314-E316 IonicContact NE-OE1 2.68Å; R314-E316 PolarHBondContact NE-OE1 3.12Å; R314-E316 IonicContact NE-OE2 2.76Å; R314-E316 IonicContact NH2-OE1 3.43Å; R314-E316 IonicContact NH2-OE2 3.24Å; R314-D341 IonicContact CZ-OD2 2.66Å; R314-D341 IonicContact NH1-OD1 3.6Å; R314-D341 PolarHBondContact NH1-OD1 2.93Å; R314-D341 IonicContact NH1-OD2 3.64Å; R314-D341 PolarHBondContact NH1-OD2 3.37Å; R314-D341 VanDerWaalsContact NH1-OD2 3.08Å; R314-D341 IonicContact NH2-OD2 3.94Å; R314-D341 PolarHBondContact NH2-OD2 2.61Å; R314-D341 VanDerWaalsContact NH2-OD2 3.17Å |
| 315 | I | 98.4 | Very high | 96 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 104.6 | 164.1 | -53.4 | -67.5 | 0 | 0 | 0 | 106.8 | L305 L306 C307 I400 P405 | L305-I315 WeakPolarHBondContact CD1-O 3.44Å; L306-I315 HydrophobicContact CB-CG2 4.41Å; L306-I315 WeakPolarHBondContact CB-O 3.47Å; L306-I315 HydrophobicContact CD2-CG2 4.18Å; L306-I315 PolarHBondContact N-O 2.88Å; C307-I315 VanDerWaalsContact O-CB 3.29Å; C307-I315 WeakPolarHBondContact O-CB 3.47Å; C307-I315 PolarHBondContact O-N 3.26Å; I315-I400 HydrophobicContact CG2-CG2 3.98Å; I315-P405 HydrophobicContact CD1-CG 3.55Å |
| 316 | E | 97.9 | Very high | 95.9 | Very high | 3 Ų | 3 | 14.6 Ų | 14.6 | 1% | 0.014 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 144.8 | -175.6 | -54 | -74.1 | 171.2 | 0 | 0 | 111 | Q190 L193 R303 R314 P401 | Q190-E316 PolarHBondContact NE2-OE1 3.07Å; Q190-E316 PolarHBondContact OE1-OE1 2.71Å; L193-E316 HydrophobicContact CD1-CB 3.85Å; L193-E316 HydrophobicContact CD1-CG 3.66Å; R303-E316 IonicContact CZ-OE1 3.53Å; R303-E316 IonicContact CZ-OE2 3.61Å; R303-E316 IonicContact NE-OE1 3.86Å; R303-E316 IonicContact NE-OE2 3.16Å; R303-E316 PolarHBondContact NE-OE2 2.69Å; R303-E316 IonicContact NH2-OE1 3.69Å; R303-E316 PolarHBondContact NH2-OE1 2.78Å; R303-E316 IonicContact NH2-OE2 2.69Å; R303-E316 PolarHBondContact NH2-OE2 3.15Å; R314-E316 HydrophobicContact CB-CG 4.45Å; R314-E316 WeakPolarHBondContact CB-OE1 3.4Å; R314-E316 WeakPolarHBondContact CD-OE1 3.44Å; R314-E316 IonicContact CZ-OE1 3.82Å; R314-E316 IonicContact NE-OE1 2.68Å; R314-E316 PolarHBondContact NE-OE1 3.12Å; R314-E316 IonicContact NE-OE2 2.76Å; R314-E316 IonicContact NH2-OE1 3.43Å; R314-E316 IonicContact NH2-OE2 3.24Å; E316-P401 WeakPolarHBondContact O-CD 3.2Å |
| 317 | L | 98.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 127.2 | 168.1 | 173.7 | 62.9 | 0 | 0 | 0 | 108.9 | E304 L306 F339 K398 I400 L443 | E304-L317 HydrophobicContact CG-CB 4.09Å; E304-L317 HydrophobicContact CG-CD2 4.47Å; E304-L317 HydrophobicContact CG-CG 4.46Å; E304-L317 PolarHBondContact N-O 3.18Å; E304-L317 PolarHBondContact O-N 3.35Å; L306-L317 HydrophobicContact CB-CB 4.07Å; L317-F339 HydrophobicContact CD2-CE1 4.3Å; L317-K398 HydrophobicContact CD1-CB 4.16Å; L317-K398 HydrophobicContact CD1-CD 4.37Å; L317-I400 HydrophobicContact CD1-CG1 4.1Å; L317-L443 HydrophobicContact CD1-CD2 3.88Å; L317-L443 HydrophobicContact CD2-CD1 3.92Å; L317-L443 HydrophobicContact CD2-CD2 3.8Å |
| 318 | L | 98.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 135.2 | 171.9 | -46.3 | 179 | 0 | 0 | 0 | 109.4 | L193 F301 H302 R303 L377 K398 L399 P401 | L193-L318 HydrophobicContact CD2-CD1 3.84Å; L193-L318 HydrophobicContact CD2-CD2 3.98Å; L193-L318 HydrophobicContact CD2-CG 4.45Å; F301-L318 HydrophobicContact CZ-CD2 4.21Å; H302-L318 CarbonylContact O-C 3.58Å; H302-L318 WeakPolarHBondContact O-CA 3.28Å; R303-L318 HydrophobicContact CB-CD2 3.83Å; R303-L318 HydrophobicContact CG-CD2 3.72Å; L318-L377 HydrophobicContact CD1-CD1 4.02Å; L318-L377 HydrophobicContact CD1-CD2 4.28Å; L318-K398 WeakPolarHBondContact O-CA 3.32Å; L318-L399 HydrophobicContact CB-CB 4.19Å; L318-L399 PolarHBondContact N-O 3.36Å; L318-L399 PolarHBondContact O-N 3.2Å; L318-P401 HydrophobicContact CD1-CG 4.38Å |
| 319 | T | 98.3 | Very high | 95 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 122 | 168.5 | -54.9 | 0 | 0 | 0 | 0 | 108.8 | Y300 H302 P347 V396 F397 K398 | Y300-T319 HydrophobicContact CD1-CG2 4.34Å; Y300-T319 HydrophobicContact CE1-CG2 4.05Å; H302-T319 PolarHBondContact N-O 3.47Å; H302-T319 PolarHBondContact O-N 3.4Å; T319-P347 HydrophobicContact CG2-CB 4.28Å; T319-V396 HydrophobicContact CG2-CG1 3.8Å; T319-F397 VanDerWaalsContact CA-O 3.3Å; T319-F397 WeakPolarHBondContact CA-O 3.17Å; T319-K398 HydrophobicContact CG2-CD 4.17Å; T319-K398 WeakPolarHBondContact OG1-CD 3.5Å; T319-K398 WeakPolarHBondContact OG1-CE 3.33Å; T319-K398 PolarHBondContact OG1-NZ 2.89Å |
| 320 | I | 98 | Very high | 94.9 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 129.2 | 179 | -52.5 | -179.5 | 0 | 0 | 0 | 109.5 | I299 Y300 F301 L377 L380 L381 F397 L399 | I299-I320 HydrophobicContact CG2-CG2 4.4Å; Y300-I320 WeakPolarHBondContact O-CA 3.49Å; F301-I320 HydrophobicContact CD2-CD1 4.16Å; F301-I320 HydrophobicContact CD2-CG1 3.96Å; F301-I320 HydrophobicContact CE2-CD1 4.29Å; F301-I320 HydrophobicContact CE2-CG1 4.39Å; I320-L377 HydrophobicContact CD1-CD1 3.44Å; I320-L377 VanDerWaalsContact CD1-CD1 3.44Å; I320-L380 HydrophobicContact CG2-CB 4.37Å; I320-L381 HydrophobicContact CD1-CD2 3.93Å; I320-L381 HydrophobicContact CD1-CG 4.2Å; I320-L381 HydrophobicContact CG2-CD2 4.29Å; I320-F397 HydrophobicContact CB-CB 4.32Å; I320-F397 PolarHBondContact N-O 3.41Å; I320-F397 WeakPolarHBondContact O-CB 3.39Å; I320-F397 WeakPolarHBondContact O-CD2 3.43Å; I320-F397 PolarHBondContact O-N 3.49Å; I320-L399 HydrophobicContact CD1-CD1 3.88Å |
| 321 | T | 97.3 | Very high | 95 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -166.3 | -172.4 | 176.4 | -170.9 | 0 | 0 | 0 | 0 | 109.2 | Y300 F350 K353 R392 Y395 V396 | Y300-T321 WeakPolarHBondContact CB-O 3.48Å; Y300-T321 HydrophobicContact CD1-CG2 3.86Å; Y300-T321 HydrophobicContact CG-CG2 4.2Å; Y300-T321 PolarHBondContact N-O 3.17Å; Y300-T321 PolarHBondContact O-N 3.24Å; Y300-T321 VanDerWaalsContact O-N 3.09Å; T321-F350 HydrophobicContact CG2-CD1 4.08Å; T321-F350 HydrophobicContact CG2-CD2 4.08Å; T321-F350 HydrophobicContact CG2-CE1 3.58Å; T321-F350 HydrophobicContact CG2-CE2 3.61Å; T321-F350 HydrophobicContact CG2-CG 4.32Å; T321-F350 HydrophobicContact CG2-CZ 3.34Å; T321-K353 PolarHBondContact OG1-NZ 2.87Å; T321-R392 PolarHBondContact OG1-O 3.49Å; T321-Y395 WeakPolarHBondContact CB-O 3.3Å; T321-Y395 PolarHBondContact OG1-O 2.72Å; T321-V396 HydrophobicContact CG2-CG2 4.38Å |
| 322 | D | 94.6 | Very high | 95 | Very high | 16 Ų | 16 | 24.5 Ų | 24.5 | 9% | 0.086 | 13% | 0.134 | C | C | . | . | trans | -102.2 | 176.9 | 163.9 | 79.3 | 6.2 | 0 | 0 | 0 | 111 | S324 F350 K353 R392 K393 | D322-S324 VanDerWaalsContact C-N 3.29Å; D322-S324 PolarHBondContact O-N 2.82Å; D322-S324 VanDerWaalsContact OD1-CB 3.3Å; D322-S324 WeakPolarHBondContact OD1-CB 3.31Å; D322-S324 PolarHBondContact OD1-N 3.3Å; D322-S324 PolarHBondContact OD1-OG 3.23Å; D322-F350 VanDerWaalsContact O-CE1 3.23Å; D322-F350 WeakPolarHBondContact O-CE1 3.39Å; D322-K353 PolarHBondContact O-NZ 2.91Å; D322-K353 WeakPolarHBondContact OD1-CE 3.33Å; D322-K353 IonicContact OD1-NZ 2.64Å; D322-K353 PolarHBondContact OD1-NZ 2.97Å; D322-R392 HydrophobicContact CB-CB 4Å; D322-R392 PolarHBondContact N-O 3.32Å; D322-R392 VanDerWaalsContact N-O 3.08Å; D322-K393 VanDerWaalsContact OD2-CA 3.27Å; D322-K393 WeakPolarHBondContact OD2-CA 3.48Å; D322-K393 WeakPolarHBondContact OD2-CB 3.47Å | ||
| 323 | W | 93.4 | Very high | 94.9 | Very high | 26 Ų | 26 | 25.4 Ų | 25.4 | 10% | 0.098 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -77.3 | -7 | -177.6 | -64.8 | 95.5 | 0 | 0 | 0 | 115.2 | Y219 F296 D297 Y300 C326 F328 | Y219-W323 HydrophobicContact CD2-CB 3.97Å; Y219-W323 HydrophobicContact CE2-CB 4.36Å; F296-W323 PolarHBondContact O-NE1 2.71Å; D297-W323 VanDerWaalsContact O-CD1 3.23Å; Y300-W323 HydrophobicContact CD2-CD2 4.28Å; Y300-W323 HydrophobicContact CD2-CE3 4.04Å; Y300-W323 AromaticContact CD2-CH2 3.62Å; Y300-W323 HydrophobicContact CD2-CH2 3.62Å; Y300-W323 AromaticContact CD2-CZ2 3.84Å; Y300-W323 HydrophobicContact CD2-CZ2 3.84Å; Y300-W323 AromaticContact CD2-CZ3 3.71Å; Y300-W323 HydrophobicContact CD2-CZ3 3.71Å; Y300-W323 AromaticContact CE2-CH2 3.98Å; Y300-W323 HydrophobicContact CE2-CH2 3.98Å; Y300-W323 HydrophobicContact CE2-CZ3 4.03Å; W323-C326 WeakPolarHBondContact O-CB 3.42Å; W323-C326 PolarHBondContact O-N 2.76Å; W323-F328 HydrophobicContact CZ3-CE1 4.42Å |
| 324 | S | 91.7 | Very high | 94.8 | Very high | 19 Ų | 19 | 24.7 Ų | 24.7 | 13% | 0.133 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | 140.8 | 179 | 70.9 | 0 | 0 | 0 | 0 | 111 | D322 C326 K353 | D322-S324 VanDerWaalsContact C-N 3.29Å; D322-S324 PolarHBondContact O-N 2.82Å; D322-S324 VanDerWaalsContact OD1-CB 3.3Å; D322-S324 WeakPolarHBondContact OD1-CB 3.31Å; D322-S324 PolarHBondContact OD1-N 3.3Å; D322-S324 PolarHBondContact OD1-OG 3.23Å; S324-C326 PolarHBondContact O-N 3.21Å; S324-C326 VanDerWaalsContact O-N 3.13Å; S324-K353 WeakPolarHBondContact O-CE 3.24Å; S324-K353 PolarHBondContact O-NZ 2.74Å; S324-K353 WeakPolarHBondContact OG-CE 3.39Å; S324-K353 PolarHBondContact OG-NZ 2.93Å |
| 325 | G | 93 | Very high | 94.6 | Very high | 14 Ų | 14 | 22.1 Ų | 22.1 | 14% | 0.144 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65.6 | 8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | T327 F350 T351 | G325-T327 PolarHBondContact O-N 2.85Å; G325-F350 CarbonylContact O-C 3.1Å; G325-F350 WeakPolarHBondContact O-CA 3.36Å; G325-T351 PolarHBondContact O-N 3.13Å; G325-T351 PolarHBondContact O-OG1 2.91Å |
| 326 | C | 94.1 | Very high | 94.2 | Very high | 8 Ų | 8 | 23.1 Ų | 23.1 | 5% | 0.054 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 127.1 | 174 | -179 | 0 | 0 | 0 | 0 | 110.6 | C216 W323 S324 F328 F350 | C216-C326 PolarHBondContact SG-O 3.02Å; C216-C326 VanDerWaalsContact SG-O 3.38Å; W323-C326 WeakPolarHBondContact O-CB 3.42Å; W323-C326 PolarHBondContact O-N 2.76Å; S324-C326 PolarHBondContact O-N 3.21Å; S324-C326 VanDerWaalsContact O-N 3.13Å; C326-F328 HydrophobicContact CB-CE1 4.44Å; C326-F328 HydrophobicContact CB-CZ 4.44Å; C326-F328 VanDerWaalsContact SG-CE1 3.53Å; C326-F350 HydrophobicContact CB-CD1 3.95Å; C326-F350 HydrophobicContact CB-CE1 3.61Å; C326-F350 HydrophobicContact CB-CZ 4.36Å |
| 327 | T | 92.1 | Very high | 93.9 | Very high | 51 Ų | 51 | 23 Ų | 23 | 31% | 0.313 | 12% | 0.123 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | -11 | -177.9 | 65.2 | 0 | 0 | 0 | 0 | 114.4 | G325 V329 K349 T351 | G325-T327 PolarHBondContact O-N 2.85Å; T327-V329 PolarHBondContact O-N 3.14Å; T327-V329 PolarHBondContact OG1-N 3.1Å; T327-K349 PolarHBondContact N-O 2.82Å; T327-K349 VanDerWaalsContact N-O 3.09Å; T327-K349 PolarHBondContact OG1-O 3.06Å; T327-K349 VanDerWaalsContact OG1-O 3.14Å; T327-T351 HydrophobicContact CG2-CG2 3.63Å |
| 328 | F | 90.5 | Very high | 93.7 | Very high | 60 Ų | 60 | 23.2 Ų | 23.2 | 26% | 0.263 | 13% | 0.125 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 56.4 | 21 | -168.6 | -51.5 | -66.3 | 0 | 0 | 0 | 114.6 | N212 E213 C216 W323 C326 W348 | N212-F328 VanDerWaalsContact C-CZ 3.42Å; N212-F328 HydrophobicContact CB-CD1 4.22Å; N212-F328 HydrophobicContact CB-CE1 3.61Å; N212-F328 HydrophobicContact CB-CZ 4.13Å; N212-F328 WeakPolarHBondContact O-CZ 3.24Å; E213-F328 HydrophobicContact CG-CD2 4.44Å; E213-F328 HydrophobicContact CG-CE2 4.26Å; C216-F328 HydrophobicContact CB-CE2 3.63Å; C216-F328 HydrophobicContact CB-CZ 3.42Å; C216-F328 VanDerWaalsContact CB-CZ 3.42Å; W323-F328 HydrophobicContact CZ3-CE1 4.42Å; C326-F328 HydrophobicContact CB-CE1 4.44Å; C326-F328 HydrophobicContact CB-CZ 4.44Å; C326-F328 VanDerWaalsContact SG-CE1 3.53Å; F328-W348 VanDerWaalsContact C-CE3 3.44Å; F328-W348 WeakPolarHBondContact O-CZ3 3.42Å |
| 329 | V | 91.5 | Very high | 93.6 | Very high | 78 Ų | 78 | 23.3 Ų | 23.3 | 47% | 0.473 | 13% | 0.125 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 125.2 | 167.4 | -178.4 | 0 | 0 | 0 | 0 | 107.7 | T327 K349 | T327-V329 PolarHBondContact O-N 3.14Å; T327-V329 PolarHBondContact OG1-N 3.1Å; V329-K349 HydrophobicContact CG1-CD 4.26Å; V329-K349 PolarHBondContact O-N 2.9Å |
| 330 | E | 93.3 | Very high | 93.3 | Very high | 68 Ų | 68 | 23.9 Ų | 23.9 | 32% | 0.318 | 13% | 0.129 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 148.7 | 176.9 | -69.6 | -167.4 | -159 | 0 | 0 | 111.2 | S345 R346 P347 W348 K349 | E330-S345 WeakPolarHBondContact OE1-CB 3.36Å; E330-S345 PolarHBondContact OE1-OG 3.3Å; E330-S345 WeakPolarHBondContact OE2-CA 3.33Å; E330-R346 HydrophobicContact CB-CB 4.29Å; E330-R346 PolarHBondContact OE2-N 3.15Å; E330-P347 CarbonylContact C-O 3.59Å; E330-W348 HydrophobicContact CB-CE3 4.45Å; E330-W348 HydrophobicContact CB-CZ3 4.44Å; E330-W348 HydrophobicContact CG-CE3 3.79Å; E330-W348 HydrophobicContact CG-CH2 4.24Å; E330-W348 HydrophobicContact CG-CZ3 3.47Å; E330-W348 VanDerWaalsContact CG-CZ3 3.47Å; E330-K349 WeakPolarHBondContact O-CE 3.36Å |
| 331 | E | 95.1 | Very high | 92.9 | Very high | 4 Ų | 4 | 25 Ų | 25 | 2% | 0.019 | 14% | 0.135 | C | C | . | . | P | Polyproline II helix | trans | -64.2 | 137.7 | 169.2 | -75.1 | -173.4 | -167.9 | 0 | 0 | 110.9 | R346 P347 K349 K398 Y447 Y451 | E331-R346 HydrophobicContact CB-CB 4.42Å; E331-R346 VanDerWaalsContact CB-NH2 3.34Å; E331-R346 VanDerWaalsContact O-CB 3.25Å; E331-R346 WeakPolarHBondContact O-CB 3.37Å; E331-R346 WeakPolarHBondContact O-CG 3.35Å; E331-R346 PolarHBondContact O-NE 3.3Å; E331-R346 IonicContact OE2-CZ 2.69Å; E331-R346 IonicContact OE2-NH2 3.79Å; E331-R346 PolarHBondContact OE2-NH2 2.98Å; E331-P347 HydrophobicContact CB-CG 4.33Å; E331-P347 WeakPolarHBondContact CB-O 3.48Å; E331-P347 HydrophobicContact CG-CG 4.23Å; E331-P347 PolarHBondContact N-O 2.75Å; E331-K349 HydrophobicContact CB-CG 4.47Å; E331-K349 HydrophobicContact CG-CG 3.81Å; E331-K398 VanDerWaalsContact CD-NZ 3.26Å; E331-K398 WeakPolarHBondContact OE1-CE 3.18Å; E331-K398 IonicContact OE1-NZ 3.22Å; E331-K398 PolarHBondContact OE1-NZ 3.22Å; E331-K398 IonicContact OE2-NZ 2.86Å; E331-K398 PolarHBondContact OE2-NZ 3.02Å; E331-K398 VanDerWaalsContact OE2-NZ 3.16Å; E331-Y447 WeakPolarHBondContact OE2-CE1 3.16Å; E331-Y447 PolarHBondContact OE2-OH 3.17Å; E331-Y451 HydrophobicContact CG-CD1 4.13Å; E331-Y451 HydrophobicContact CG-CE1 3.79Å |
| 332 | D | 92.4 | Very high | 92.4 | Very high | 64 Ų | 64 | 26.9 Ų | 26.9 | 34% | 0.342 | 15% | 0.145 | S | C | . | . | P | Polyproline II helix | trans | -67.5 | 150.4 | -173 | -40.8 | -68.6 | 0 | 0 | 0 | 110.7 | F334 R346 K349 Y446 | D332-F334 HydrophobicContact CB-CB 4.34Å; D332-F334 WeakPolarHBondContact O-CD1 3.46Å; D332-F334 PolarHBondContact O-N 2.89Å; D332-F334 VanDerWaalsContact O-N 3.09Å; D332-R346 PolarHBondContact O-NE 3.33Å; D332-K349 IonicContact OD1-NZ 2.85Å; D332-K349 PolarHBondContact OD1-NZ 3.25Å; D332-K349 WeakPolarHBondContact OD2-CE 3.39Å; D332-K349 IonicContact OD2-NZ 2.71Å; D332-K349 PolarHBondContact OD2-NZ 3.16Å; D332-Y446 HydrophobicContact CB-CE2 4.39Å; D332-Y446 PolarHBondContact N-OH 2.89Å; D332-Y446 PolarHBondContact OD2-OH 3.46Å |
| 333 | R | 91.9 | Very high | 92 | Very high | 42 Ų | 42 | 32.8 Ų | 32.8 | 16% | 0.158 | 18% | 0.176 | C | C | . | . | trans | -84.5 | 66.5 | 162.3 | -65.1 | 173.3 | 178.6 | -85.1 | 5.7 | 107.7 | D335 F339 D341 K344 R346 | R333-D335 VanDerWaalsContact C-N 3.26Å; R333-D335 PolarHBondContact O-N 3.47Å; R333-F339 PolarHBondContact NH1-O 3.44Å; R333-D341 PolarHBondContact NH1-O 3.02Å; R333-D341 VanDerWaalsContact NH1-O 3.15Å; R333-D341 PolarHBondContact NH2-O 2.8Å; R333-K344 PolarHBondContact NH2-O 2.77Å; R333-R346 HydrophobicContact CG-CG 3.9Å | ||
| 334 | F | 92.3 | Very high | 91.7 | Very high | 11 Ų | 11 | 36.3 Ų | 36.3 | 5% | 0.048 | 19% | 0.192 | C | C | . | . | trans | -67.1 | -23.3 | -169.7 | 63 | -94 | 0 | 0 | 0 | 113.7 | D332 L338 F339 A442 L443 Y446 Y457 | D332-F334 HydrophobicContact CB-CB 4.34Å; D332-F334 WeakPolarHBondContact O-CD1 3.46Å; D332-F334 PolarHBondContact O-N 2.89Å; D332-F334 VanDerWaalsContact O-N 3.09Å; F334-L338 HydrophobicContact CE2-CD1 4.22Å; F334-L338 HydrophobicContact CZ-CD1 4.05Å; F334-F339 HydrophobicContact CD1-CE2 4.34Å; F334-F339 AromaticContact CE1-CE2 3.72Å; F334-F339 HydrophobicContact CE1-CE2 3.72Å; F334-F339 HydrophobicContact CE1-CZ 4.09Å; F334-F339 HydrophobicContact CZ-CE2 4.15Å; F334-F339 HydrophobicContact CZ-CZ 4.41Å; F334-A442 HydrophobicContact CE2-CB 4.24Å; F334-L443 HydrophobicContact CZ-CD1 4.49Å; F334-Y446 HydrophobicContact CB-CD2 3.79Å; F334-Y446 HydrophobicContact CB-CE2 3.84Å; F334-Y446 AromaticContact CD1-CD1 3.55Å; F334-Y446 HydrophobicContact CD1-CD1 3.55Å; F334-Y446 AromaticContact CD1-CD2 3.43Å; F334-Y446 HydrophobicContact CD1-CD2 3.43Å; F334-Y446 VanDerWaalsContact CD1-CD2 3.43Å; F334-Y446 AromaticContact CD1-CE1 3.72Å; F334-Y446 HydrophobicContact CD1-CE1 3.72Å; F334-Y446 AromaticContact CD1-CE2 3.62Å; F334-Y446 HydrophobicContact CD1-CE2 3.62Å; F334-Y446 AromaticContact CD1-CG 3.39Å; F334-Y446 HydrophobicContact CD1-CG 3.39Å; F334-Y446 AromaticContact CD1-CZ 3.76Å; F334-Y446 HydrophobicContact CD2-CD2 4.1Å; F334-Y446 HydrophobicContact CD2-CG 4.16Å; F334-Y446 AromaticContact CE1-CD1 3.39Å; F334-Y446 HydrophobicContact CE1-CD1 3.39Å; F334-Y446 HydrophobicContact CE1-CD2 4.03Å; F334-Y446 AromaticContact CE1-CE1 3.89Å; F334-Y446 HydrophobicContact CE1-CE1 3.89Å; F334-Y446 HydrophobicContact CE1-CE2 4.46Å; F334-Y446 AromaticContact CE1-CG 3.46Å; F334-Y446 HydrophobicContact CE1-CG 3.46Å; F334-Y446 VanDerWaalsContact CE1-CG 3.46Å; F334-Y446 HydrophobicContact CE2-CG 4.21Å; F334-Y446 HydrophobicContact CG-CD1 4.39Å; F334-Y446 AromaticContact CG-CD2 3.49Å; F334-Y446 HydrophobicContact CG-CD2 3.49Å; F334-Y446 VanDerWaalsContact CG-CD2 3.49Å; F334-Y446 AromaticContact CG-CE2 3.88Å; F334-Y446 HydrophobicContact CG-CE2 3.88Å; F334-Y446 AromaticContact CG-CG 3.77Å; F334-Y446 HydrophobicContact CG-CG 3.77Å; F334-Y446 HydrophobicContact CZ-CD1 4.13Å; F334-Y446 AromaticContact CZ-CG 3.89Å; F334-Y446 HydrophobicContact CZ-CG 3.89Å; F334-Y457 AromaticContact CD2-CD1 3.69Å; F334-Y457 HydrophobicContact CD2-CD1 3.69Å; F334-Y457 AromaticContact CD2-CD2 3.66Å; F334-Y457 HydrophobicContact CD2-CD2 3.66Å; F334-Y457 AromaticContact CD2-CE1 3.8Å; F334-Y457 HydrophobicContact CD2-CE1 3.8Å; F334-Y457 AromaticContact CD2-CE2 3.77Å; F334-Y457 HydrophobicContact CD2-CE2 3.77Å; F334-Y457 AromaticContact CD2-CG 3.62Å; F334-Y457 HydrophobicContact CD2-CG 3.62Å; F334-Y457 AromaticContact CD2-CZ 3.85Å; F334-Y457 HydrophobicContact CE2-CD1 4.47Å; F334-Y457 AromaticContact CE2-CD2 3.89Å; F334-Y457 HydrophobicContact CE2-CD2 3.89Å; F334-Y457 HydrophobicContact CE2-CE1 4.23Å; F334-Y457 AromaticContact CE2-CE2 3.62Å; F334-Y457 HydrophobicContact CE2-CE2 3.62Å; F334-Y457 HydrophobicContact CE2-CG 4.31Å; F334-Y457 AromaticContact CE2-CZ 3.81Å; F334-Y457 HydrophobicContact CG-CG 4.5Å | ||
| 335 | D | 93.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -123.6 | 118.9 | 175.2 | -168 | -45.1 | 0 | 0 | 0 | 109.9 | R333 L337 L338 Y438 Y457 | R333-D335 VanDerWaalsContact C-N 3.26Å; R333-D335 PolarHBondContact O-N 3.47Å; D335-L337 PolarHBondContact O-N 2.93Å; D335-L337 VanDerWaalsContact O-N 3.14Å; D335-L337 VanDerWaalsContact OD1-CB 3.28Å; D335-L337 WeakPolarHBondContact OD1-CB 3.32Å; D335-L337 PolarHBondContact OD1-N 3.37Å; D335-L338 HydrophobicContact CB-CB 4.39Å; D335-L338 HydrophobicContact CB-CD1 3.98Å; D335-L338 HydrophobicContact CB-CG 3.95Å; D335-L338 PolarHBondContact O-N 3.01Å; D335-L338 VanDerWaalsContact O-N 3.09Å; D335-Y438 WeakPolarHBondContact OD2-CE1 3.45Å; D335-Y438 PolarHBondContact OD2-OH 2.74Å; D335-Y457 HydrophobicContact CB-CE1 3.76Å; D335-Y457 WeakPolarHBondContact OD2-CE1 3.44Å; D335-Y457 PolarHBondContact OD2-OH 3.09Å |
| 336 | P | 89.9 | Confident | 91.6 | Very high | 21 Ų | 21 | 38.3 Ų | 38.3 | 14% | 0.136 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -15.6 | 178.1 | -24.9 | 34.3 | 0 | 0 | 0 | 115.9 | L338 L461 L808 L1063 | P336-L338 VanDerWaalsContact C-N 3.35Å; P336-L461 HydrophobicContact CG-CD1 4.47Å; P336-L808 HydrophobicContact CB-CD1 4.42Å; P336-L1063 HydrophobicContact CG-CD1 4.19Å |
| 337 | L | 92 | Very high | 91.7 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -9 | 177.2 | -60.2 | 178.5 | 0 | 0 | 0 | 112.7 | D335 Y431 Y438 Y1010 I1013 L1060 L1063 | D335-L337 PolarHBondContact O-N 2.93Å; D335-L337 VanDerWaalsContact O-N 3.14Å; D335-L337 VanDerWaalsContact OD1-CB 3.28Å; D335-L337 WeakPolarHBondContact OD1-CB 3.32Å; D335-L337 PolarHBondContact OD1-N 3.37Å; L337-Y431 HydrophobicContact CB-CD1 4.26Å; L337-Y431 HydrophobicContact CB-CD2 4.14Å; L337-Y431 HydrophobicContact CB-CE1 4.03Å; L337-Y431 HydrophobicContact CB-CE2 3.88Å; L337-Y431 HydrophobicContact CB-CG 4.31Å; L337-Y431 HydrophobicContact CD1-CD1 3.87Å; L337-Y431 HydrophobicContact CD1-CD2 4.35Å; L337-Y431 HydrophobicContact CD1-CE1 4.42Å; L337-Y431 HydrophobicContact CD1-CG 3.82Å; L337-Y431 HydrophobicContact CD2-CD1 4.26Å; L337-Y431 HydrophobicContact CD2-CE1 4.15Å; L337-Y431 HydrophobicContact CG-CD1 4.37Å; L337-Y431 HydrophobicContact CG-CE1 4.44Å; L337-Y431 VanDerWaalsContact O-CZ 3.25Å; L337-Y431 PolarHBondContact O-OH 2.99Å; L337-Y438 HydrophobicContact CD1-CE1 4.46Å; L337-Y1010 HydrophobicContact CD1-CE2 4.48Å; L337-Y1010 HydrophobicContact CD2-CD2 3.8Å; L337-Y1010 HydrophobicContact CD2-CE2 4Å; L337-I1013 HydrophobicContact CD2-CD1 4.45Å; L337-L1060 HydrophobicContact CD2-CD2 3.85Å; L337-L1060 HydrophobicContact CG-CD2 4.44Å; L337-L1063 HydrophobicContact CD1-CB 4Å |
| 338 | L | 95.4 | Very high | 91.9 | Very high | 6 Ų | 6 | 38.5 Ų | 38.5 | 3% | 0.031 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -109.7 | 161.5 | -177.7 | -55.2 | -174.7 | 0 | 0 | 0 | 111.5 | L306 C307 F334 D335 P336 Y431 Y438 A439 A442 | L306-L338 HydrophobicContact CD1-CD1 4.28Å; C307-L338 HydrophobicContact CB-CD2 4.16Å; F334-L338 HydrophobicContact CE2-CD1 4.22Å; F334-L338 HydrophobicContact CZ-CD1 4.05Å; D335-L338 HydrophobicContact CB-CB 4.39Å; D335-L338 HydrophobicContact CB-CD1 3.98Å; D335-L338 HydrophobicContact CB-CG 3.95Å; D335-L338 PolarHBondContact O-N 3.01Å; D335-L338 VanDerWaalsContact O-N 3.09Å; P336-L338 VanDerWaalsContact C-N 3.35Å; L338-Y431 HydrophobicContact CD2-CE2 4.14Å; L338-Y438 HydrophobicContact CD2-CD1 4.38Å; L338-A439 HydrophobicContact CD1-CB 4.39Å; L338-A439 HydrophobicContact CD2-CB 3.41Å; L338-A439 VanDerWaalsContact CD2-CB 3.41Å; L338-A442 HydrophobicContact CD1-CB 3.89Å |
| 339 | F | 95.5 | Very high | 92.1 | Very high | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.009 | 19% | 0.191 | C | C | . | . | trans | 59.1 | 60.9 | 175.7 | -41.1 | -64.5 | 0 | 0 | 0 | 113.3 | L305 L306 L317 R333 F334 D341 L342 R346 L443 | L305-F339 WeakPolarHBondContact O-CA 3.33Å; L306-F339 HydrophobicContact CD1-CD1 4.36Å; L306-F339 HydrophobicContact CD1-CE1 3.44Å; L306-F339 VanDerWaalsContact CD1-CE1 3.44Å; L306-F339 HydrophobicContact CD1-CZ 3.7Å; L306-F339 PolarHBondContact O-N 3.47Å; L317-F339 HydrophobicContact CD2-CE1 4.3Å; R333-F339 PolarHBondContact NH1-O 3.44Å; F334-F339 HydrophobicContact CD1-CE2 4.34Å; F334-F339 AromaticContact CE1-CE2 3.72Å; F334-F339 HydrophobicContact CE1-CE2 3.72Å; F334-F339 HydrophobicContact CE1-CZ 4.09Å; F334-F339 HydrophobicContact CZ-CE2 4.15Å; F334-F339 HydrophobicContact CZ-CZ 4.41Å; F339-D341 VanDerWaalsContact C-N 3.26Å; F339-D341 PolarHBondContact O-N 3.23Å; F339-L342 WeakPolarHBondContact O-CD2 3.2Å; F339-R346 VanDerWaalsContact CD1-NH1 3.35Å; F339-L443 HydrophobicContact CZ-CD1 4.15Å | ||
| 340 | P | 91.8 | Very high | 92.3 | Very high | 12 Ų | 12 | 33.5 Ų | 33.5 | 8% | 0.078 | 17% | 0.169 | C | C | . | . | trans | -72.8 | -10.2 | -173.9 | 33.9 | -40.9 | 0 | 0 | 0 | 115 | L305 Y308 L342 Y1009 | L305-P340 HydrophobicContact CB-CG 4.4Å; L305-P340 HydrophobicContact CD2-CG 3.39Å; L305-P340 HydrophobicContact CG-CG 3.66Å; Y308-P340 HydrophobicContact CD2-CB 4.33Å; Y308-P340 HydrophobicContact CD2-CG 3.91Å; Y308-P340 HydrophobicContact CE2-CB 3.93Å; Y308-P340 HydrophobicContact CE2-CG 3.6Å; P340-L342 WeakPolarHBondContact O-CG 3.14Å; P340-Y1009 HydrophobicContact CB-CE2 3.79Å; P340-Y1009 WeakPolarHBondContact CB-OH 3.45Å | ||
| 341 | D | 89.6 | Confident | 92.3 | Very high | 23 Ų | 23 | 33.6 Ų | 33.6 | 12% | 0.123 | 18% | 0.175 | C | C | . | . | trans | -84 | 115.4 | 168.5 | -67.3 | -0.7 | 0 | 0 | 0 | 107.3 | R314 R333 F339 K344 | R314-D341 IonicContact CZ-OD2 2.66Å; R314-D341 IonicContact NH1-OD1 3.6Å; R314-D341 PolarHBondContact NH1-OD1 2.93Å; R314-D341 IonicContact NH1-OD2 3.64Å; R314-D341 PolarHBondContact NH1-OD2 3.37Å; R314-D341 VanDerWaalsContact NH1-OD2 3.08Å; R314-D341 IonicContact NH2-OD2 3.94Å; R314-D341 PolarHBondContact NH2-OD2 2.61Å; R314-D341 VanDerWaalsContact NH2-OD2 3.17Å; R333-D341 PolarHBondContact NH1-O 3.02Å; R333-D341 VanDerWaalsContact NH1-O 3.15Å; R333-D341 PolarHBondContact NH2-O 2.8Å; F339-D341 VanDerWaalsContact C-N 3.26Å; F339-D341 PolarHBondContact O-N 3.23Å; D341-K344 HydrophobicContact CB-CB 4.49Å; D341-K344 HydrophobicContact CB-CD 3.85Å; D341-K344 HydrophobicContact CB-CG 4.26Å; D341-K344 IonicContact OD2-NZ 3.24Å; D341-K344 PolarHBondContact OD2-NZ 3Å | ||
| 342 | L | 86.8 | Confident | 92.1 | Very high | 40 Ų | 40 | 41.2 Ų | 41.2 | 21% | 0.209 | 22% | 0.215 | C | C | . | . | trans | -121.3 | -24.5 | -160.7 | -60.6 | 166.3 | 0 | 0 | 0 | 113.8 | F339 P340 K344 M809 N812 | F339-L342 WeakPolarHBondContact O-CD2 3.2Å; P340-L342 WeakPolarHBondContact O-CG 3.14Å; L342-K344 PolarHBondContact O-N 2.96Å; L342-M809 VanDerWaalsContact CD1-C 3.48Å; L342-M809 VanDerWaalsContact CD1-CA 3.45Å; L342-M809 HydrophobicContact CD1-CB 3.61Å; L342-M809 HydrophobicContact CD1-CG 4.12Å; L342-M809 WeakPolarHBondContact CD1-O 3.44Å; L342-M809 HydrophobicContact CD2-CB 3.8Å; L342-M809 HydrophobicContact CD2-CE 3.87Å; L342-M809 HydrophobicContact CD2-CG 3.49Å; L342-M809 VanDerWaalsContact CD2-CG 3.49Å; L342-M809 HydrophobicContact CD2-SD 4.18Å; L342-M809 HydrophobicContact CG-CB 4.24Å; L342-M809 HydrophobicContact CG-CG 4.41Å; L342-N812 HydrophobicContact CD1-CB 3.67Å | ||
| 343 | D | 87.3 | Confident | 92.3 | Very high | 139 Ų | 139 | 38.5 Ų | 38.5 | 74% | 0.743 | 20% | 0.2 | S | C | * | . | S | Bend | trans | -63.3 | -17.3 | 160.8 | 58.5 | -51.4 | 0 | 0 | 0 | 112.7 | ||
| 344 | K | 86.8 | Confident | 92.5 | Very high | 100 Ų | 100 | 40 Ų | 40 | 44% | 0.435 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -100 | 137.7 | -179 | -56 | -177.7 | -166.4 | 165.3 | 0 | 111.2 | R333 D341 L342 | R333-K344 PolarHBondContact NH2-O 2.77Å; D341-K344 HydrophobicContact CB-CB 4.49Å; D341-K344 HydrophobicContact CB-CD 3.85Å; D341-K344 HydrophobicContact CB-CG 4.26Å; D341-K344 IonicContact OD2-NZ 3.24Å; D341-K344 PolarHBondContact OD2-NZ 3Å; L342-K344 PolarHBondContact O-N 2.96Å |
| 345 | S | 89 | Confident | 92.7 | Very high | 72 Ų | 72 | 39.5 Ų | 39.5 | 50% | 0.503 | 21% | 0.206 | S | C | . | . | P | Polyproline II helix | trans | -62.3 | 149.8 | 166.8 | -75.9 | 0 | 0 | 0 | 0 | 111.7 | H302 E330 | H302-S345 PolarHBondContact CE1-O 3.47Å; H302-S345 VanDerWaalsContact CE1-O 3.28Å; E330-S345 WeakPolarHBondContact OE1-CB 3.36Å; E330-S345 PolarHBondContact OE1-OG 3.3Å; E330-S345 WeakPolarHBondContact OE2-CA 3.33Å |
| 346 | R | 94.4 | Very high | 93 | Very high | 4 Ų | 4 | 39.5 Ų | 39.5 | 2% | 0.015 | 21% | 0.206 | C | C | . | . | P | Polyproline II helix | trans | -77.7 | 166.4 | 168.4 | -73.3 | -84.4 | -70.5 | 138.3 | 8.5 | 110 | E304 E330 E331 D332 R333 F339 | E304-R346 IonicContact OE1-CZ 3.23Å; E304-R346 IonicContact OE1-NH1 3.61Å; E304-R346 PolarHBondContact OE1-NH1 3.24Å; E304-R346 WeakPolarHBondContact OE2-CD 3.48Å; E304-R346 IonicContact OE2-CZ 3.77Å; E304-R346 IonicContact OE2-NE 2.81Å; E304-R346 IonicContact OE2-NH1 2.7Å; E304-R346 PolarHBondContact OE2-NH1 3.26Å; E330-R346 HydrophobicContact CB-CB 4.29Å; E330-R346 PolarHBondContact OE2-N 3.15Å; E331-R346 HydrophobicContact CB-CB 4.42Å; E331-R346 VanDerWaalsContact CB-NH2 3.34Å; E331-R346 VanDerWaalsContact O-CB 3.25Å; E331-R346 WeakPolarHBondContact O-CB 3.37Å; E331-R346 WeakPolarHBondContact O-CG 3.35Å; E331-R346 PolarHBondContact O-NE 3.3Å; E331-R346 IonicContact OE2-CZ 2.69Å; E331-R346 IonicContact OE2-NH2 3.79Å; E331-R346 PolarHBondContact OE2-NH2 2.98Å; D332-R346 PolarHBondContact O-NE 3.33Å; R333-R346 HydrophobicContact CG-CG 3.9Å; F339-R346 VanDerWaalsContact CD1-NH1 3.35Å |
| 347 | P | 95 | Very high | 93.4 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.2 | C | C | . | . | P | Polyproline II helix | trans | -64.1 | 160.4 | 171 | 26.5 | -34.4 | 0 | 0 | 0 | 111.5 | Y300 H302 E304 T319 E330 E331 | Y300-P347 HydrophobicContact CE1-CB 4.3Å; Y300-P347 VanDerWaalsContact OH-CA 3.27Å; Y300-P347 WeakPolarHBondContact OH-CA 3.19Å; H302-P347 HydrophobicContact CB-CB 4.13Å; E304-P347 VanDerWaalsContact OE1-CD 3.24Å; E304-P347 WeakPolarHBondContact OE1-CD 3.47Å; E304-P347 WeakPolarHBondContact OE1-CG 3.49Å; E304-P347 WeakPolarHBondContact OE2-CD 3.4Å; T319-P347 HydrophobicContact CG2-CB 4.28Å; E330-P347 CarbonylContact C-O 3.59Å; E331-P347 HydrophobicContact CB-CG 4.33Å; E331-P347 WeakPolarHBondContact CB-O 3.48Å; E331-P347 HydrophobicContact CG-CG 4.23Å; E331-P347 PolarHBondContact N-O 2.75Å |
| 348 | W | 95.6 | Very high | 93.7 | Very high | 62 Ų | 62 | 38.8 Ų | 38.8 | 24% | 0.235 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 150.6 | 174.6 | -58.5 | 128.3 | 0 | 0 | 0 | 111.6 | Y300 F328 E330 F350 | Y300-W348 AromaticContact CE2-CD1 3.39Å; Y300-W348 HydrophobicContact CE2-CG 4.32Å; Y300-W348 AromaticContact CZ-CD1 3.81Å; Y300-W348 PolarHBondContact OH-N 2.94Å; F328-W348 VanDerWaalsContact C-CE3 3.44Å; F328-W348 WeakPolarHBondContact O-CZ3 3.42Å; E330-W348 HydrophobicContact CB-CE3 4.45Å; E330-W348 HydrophobicContact CB-CZ3 4.44Å; E330-W348 HydrophobicContact CG-CE3 3.79Å; E330-W348 HydrophobicContact CG-CH2 4.24Å; E330-W348 HydrophobicContact CG-CZ3 3.47Å; E330-W348 VanDerWaalsContact CG-CZ3 3.47Å; W348-F350 HydrophobicContact CB-CE2 4.18Å; W348-F350 HydrophobicContact CB-CZ 4.41Å; W348-F350 VanDerWaalsContact O-CD2 3.22Å; W348-F350 WeakPolarHBondContact O-CD2 3.45Å; W348-F350 WeakPolarHBondContact O-CE2 3.28Å |
| 349 | K | 95.7 | Very high | 93.9 | Very high | 33 Ų | 33 | 38.5 Ų | 38.5 | 14% | 0.143 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 147.8 | 165.8 | -66.5 | 178.2 | -178.7 | 178.1 | 0 | 110.3 | T327 V329 E330 E331 D332 Y451 | T327-K349 PolarHBondContact N-O 2.82Å; T327-K349 VanDerWaalsContact N-O 3.09Å; T327-K349 PolarHBondContact OG1-O 3.06Å; T327-K349 VanDerWaalsContact OG1-O 3.14Å; V329-K349 HydrophobicContact CG1-CD 4.26Å; V329-K349 PolarHBondContact O-N 2.9Å; E330-K349 WeakPolarHBondContact O-CE 3.36Å; E331-K349 HydrophobicContact CB-CG 4.47Å; E331-K349 HydrophobicContact CG-CG 3.81Å; D332-K349 IonicContact OD1-NZ 2.85Å; D332-K349 PolarHBondContact OD1-NZ 3.25Å; D332-K349 WeakPolarHBondContact OD2-CE 3.39Å; D332-K349 IonicContact OD2-NZ 2.71Å; D332-K349 PolarHBondContact OD2-NZ 3.16Å; K349-Y451 HydrophobicContact CB-CE1 4.33Å; K349-Y451 HydrophobicContact CB-CE2 4.49Å; K349-Y451 HydrophobicContact CD-CD1 4.3Å; K349-Y451 HydrophobicContact CD-CG 4.25Å; K349-Y451 HydrophobicContact CG-CD1 3.91Å; K349-Y451 HydrophobicContact CG-CE1 3.95Å; K349-Y451 HydrophobicContact CG-CG 4.26Å |
| 350 | F | 95.9 | Very high | 94 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 135.7 | 176.5 | -65.3 | -95.9 | 0 | 0 | 0 | 110 | Y300 T321 D322 G325 C326 W348 K353 V396 Y451 | Y300-F350 HydrophobicContact CD1-CE2 4.03Å; Y300-F350 AromaticContact CD1-CZ 3.75Å; Y300-F350 HydrophobicContact CD1-CZ 3.75Å; Y300-F350 HydrophobicContact CD2-CZ 4.19Å; Y300-F350 HydrophobicContact CE1-CE2 4.01Å; Y300-F350 HydrophobicContact CE1-CZ 4.06Å; Y300-F350 HydrophobicContact CE2-CZ 4.5Å; Y300-F350 AromaticContact CG-CZ 3.81Å; Y300-F350 HydrophobicContact CG-CZ 3.81Å; T321-F350 HydrophobicContact CG2-CD1 4.08Å; T321-F350 HydrophobicContact CG2-CD2 4.08Å; T321-F350 HydrophobicContact CG2-CE1 3.58Å; T321-F350 HydrophobicContact CG2-CE2 3.61Å; T321-F350 HydrophobicContact CG2-CG 4.32Å; T321-F350 HydrophobicContact CG2-CZ 3.34Å; D322-F350 VanDerWaalsContact O-CE1 3.23Å; D322-F350 WeakPolarHBondContact O-CE1 3.39Å; G325-F350 CarbonylContact O-C 3.1Å; G325-F350 WeakPolarHBondContact O-CA 3.36Å; C326-F350 HydrophobicContact CB-CD1 3.95Å; C326-F350 HydrophobicContact CB-CE1 3.61Å; C326-F350 HydrophobicContact CB-CZ 4.36Å; W348-F350 HydrophobicContact CB-CE2 4.18Å; W348-F350 HydrophobicContact CB-CZ 4.41Å; W348-F350 VanDerWaalsContact O-CD2 3.22Å; W348-F350 WeakPolarHBondContact O-CD2 3.45Å; W348-F350 WeakPolarHBondContact O-CE2 3.28Å; F350-K353 HydrophobicContact CB-CD 4.2Å; F350-K353 HydrophobicContact CD1-CD 4.41Å; F350-V396 HydrophobicContact CB-CG2 3.77Å; F350-V396 HydrophobicContact CD2-CG2 3.99Å; F350-V396 HydrophobicContact CG-CG2 3.96Å; F350-Y451 PolarHBondContact N-OH 3.27Å; F350-Y451 PolarHBondContact O-OH 2.67Å |
| 351 | T | 93 | Very high | 94.3 | Very high | 71 Ų | 71 | 38 Ų | 38 | 44% | 0.436 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -102.3 | 162.3 | 173.8 | 52.6 | 0 | 0 | 0 | 0 | 110.9 | G325 T327 K353 | G325-T351 PolarHBondContact O-N 3.13Å; G325-T351 PolarHBondContact O-OG1 2.91Å; T327-T351 HydrophobicContact CG2-CG2 3.63Å; T351-K353 PolarHBondContact O-N 3.42Å; T351-K353 VanDerWaalsContact O-N 3.08Å |
| 352 | N | 91.7 | Very high | 94.8 | Very high | 164 Ų | 164 | 36.9 Ų | 36.9 | 88% | 0.877 | 19% | 0.19 | S | C | * | . | S | Bend | trans | 58.3 | 20.2 | 178.7 | -51.9 | -32.8 | 0 | 0 | 0 | 114.8 | ||
| 353 | K | 95.5 | Very high | 95.3 | Very high | 6 Ų | 6 | 35.1 Ų | 35.1 | 3% | 0.026 | 18% | 0.181 | C | C | . | . | trans | -130.5 | 136.5 | 175.1 | -70.3 | 178.1 | 170.4 | 170.9 | 0 | 109.6 | T321 D322 S324 F350 T351 R392 K393 H394 V396 N1084 | T321-K353 PolarHBondContact OG1-NZ 2.87Å; D322-K353 PolarHBondContact O-NZ 2.91Å; D322-K353 WeakPolarHBondContact OD1-CE 3.33Å; D322-K353 IonicContact OD1-NZ 2.64Å; D322-K353 PolarHBondContact OD1-NZ 2.97Å; S324-K353 WeakPolarHBondContact O-CE 3.24Å; S324-K353 PolarHBondContact O-NZ 2.74Å; S324-K353 WeakPolarHBondContact OG-CE 3.39Å; S324-K353 PolarHBondContact OG-NZ 2.93Å; F350-K353 HydrophobicContact CB-CD 4.2Å; F350-K353 HydrophobicContact CD1-CD 4.41Å; T351-K353 PolarHBondContact O-N 3.42Å; T351-K353 VanDerWaalsContact O-N 3.08Å; K353-R392 WeakPolarHBondContact CE-O 3.49Å; K353-R392 PolarHBondContact NZ-O 3.31Å; K353-K393 WeakPolarHBondContact CE-O 3.11Å; K353-H394 WeakPolarHBondContact CA-O 3.44Å; K353-H394 WeakPolarHBondContact CB-O 3.13Å; K353-V396 HydrophobicContact CB-CG2 4.11Å; K353-V396 HydrophobicContact CD-CG2 4.06Å; K353-N1084 PolarHBondContact O-OD1 3.18Å; K353-N1084 VanDerWaalsContact O-OD1 3.13Å | ||
| 354 | K | 95.6 | Very high | 95.8 | Very high | 74 Ų | 74 | 28.6 Ų | 28.6 | 32% | 0.322 | 15% | 0.146 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 159.5 | 171.2 | -61.6 | -74.4 | -166.7 | 174.4 | 0 | 110 | H394 Y395 V396 E1081 S1083 N1084 A1086 | K354-H394 PolarHBondContact N-O 3.12Å; K354-Y395 HydrophobicContact CB-CD1 4.16Å; K354-Y395 HydrophobicContact CB-CE1 4.18Å; K354-Y395 VanDerWaalsContact O-CA 3.26Å; K354-Y395 WeakPolarHBondContact O-CA 3.48Å; K354-V396 PolarHBondContact O-N 3.03Å; K354-E1081 PolarHBondContact NZ-O 3.26Å; K354-S1083 PolarHBondContact NZ-O 2.73Å; K354-N1084 CarbonylContact C-O 3.49Å; K354-N1084 WeakPolarHBondContact CA-O 3.41Å; K354-N1084 WeakPolarHBondContact CD-OD1 3.46Å; K354-A1086 HydrophobicContact CB-CB 3.76Å; K354-A1086 HydrophobicContact CG-CB 4.39Å |
| 355 | V | 98.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 136.1 | -179.5 | -177.1 | 0 | 0 | 0 | 0 | 110.8 | L357 V396 K398 Y447 N1084 V1085 A1086 | V355-L357 HydrophobicContact CG1-CD1 3.69Å; V355-L357 HydrophobicContact CG1-CG 3.99Å; V355-V396 WeakPolarHBondContact CA-O 3.48Å; V355-V396 HydrophobicContact CG2-CB 4.49Å; V355-K398 HydrophobicContact CG1-CB 4.26Å; V355-K398 HydrophobicContact CG1-CG 3.73Å; V355-Y447 HydrophobicContact CG1-CD2 4.1Å; V355-Y447 HydrophobicContact CG1-CG 4.27Å; V355-Y447 HydrophobicContact CG2-CD1 4.34Å; V355-Y447 HydrophobicContact CG2-CG 4.2Å; V355-N1084 PolarHBondContact N-O 3.11Å; V355-V1085 HydrophobicContact CB-CG2 4.38Å; V355-A1086 PolarHBondContact O-N 3.05Å |
| 356 | V | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 119.2 | 168.6 | 174.2 | 0 | 0 | 0 | 0 | 108.2 | V358 Y395 V396 F397 K398 F1087 F1089 I1267 | V356-V358 HydrophobicContact CG1-CG2 4.43Å; V356-Y395 HydrophobicContact CG2-CD1 3.71Å; V356-Y395 HydrophobicContact CG2-CE1 4.42Å; V356-Y395 HydrophobicContact CG2-CG 3.98Å; V356-V396 PolarHBondContact N-O 3.12Å; V356-F397 HydrophobicContact CB-CD1 3.69Å; V356-F397 HydrophobicContact CB-CE1 3.78Å; V356-F397 HydrophobicContact CG1-CD1 3.79Å; V356-F397 HydrophobicContact CG1-CE1 3.86Å; V356-F397 HydrophobicContact CG2-CD1 4.37Å; V356-F397 HydrophobicContact CG2-CE1 3.96Å; V356-F397 WeakPolarHBondContact O-CA 3.41Å; V356-K398 PolarHBondContact O-N 3.26Å; V356-F1087 HydrophobicContact CG1-CB 4.18Å; V356-F1087 HydrophobicContact CG2-CB 4.31Å; V356-F1087 HydrophobicContact CG2-CD2 4.21Å; V356-F1089 HydrophobicContact CG1-CD2 4.28Å; V356-F1089 HydrophobicContact CG1-CE2 4.03Å; V356-I1267 HydrophobicContact CG1-CD1 4.28Å; V356-I1267 HydrophobicContact CG2-CD1 4.22Å |
| 357 | L | 98.6 | Very high | 96.8 | Very high | 4 Ų | 4 | 20.5 Ų | 20.5 | 2% | 0.021 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 133.5 | 178.9 | -79.1 | 125 | 0 | 0 | 0 | 111.5 | V355 K398 L443 I444 Y447 V1085 F1087 Y1088 F1089 | V355-L357 HydrophobicContact CG1-CD1 3.69Å; V355-L357 HydrophobicContact CG1-CG 3.99Å; L357-K398 WeakPolarHBondContact CA-O 3.39Å; L357-K398 HydrophobicContact CD2-CB 3.74Å; L357-K398 HydrophobicContact CG-CB 3.95Å; L357-L443 HydrophobicContact CD2-CD2 3.96Å; L357-L443 HydrophobicContact CD2-CG 4.38Å; L357-I444 HydrophobicContact CD1-CG1 4Å; L357-I444 HydrophobicContact CD1-CG2 4.38Å; L357-I444 HydrophobicContact CD2-CG1 3.9Å; L357-I444 HydrophobicContact CG-CG1 4.36Å; L357-Y447 HydrophobicContact CD1-CD2 4.2Å; L357-Y447 HydrophobicContact CD2-CD2 4.38Å; L357-V1085 HydrophobicContact CD1-CG1 3.86Å; L357-V1085 HydrophobicContact CD1-CG2 3.78Å; L357-F1087 PolarHBondContact N-O 3.02Å; L357-Y1088 HydrophobicContact CB-CD2 3.98Å; L357-Y1088 CarbonylContact O-C 3.58Å; L357-Y1088 WeakPolarHBondContact O-CA 3.42Å; L357-F1089 PolarHBondContact O-N 2.68Å |
| 358 | V | 98.8 | Very high | 97 | Very high | 2 Ų | 2 | 20.5 Ų | 20.5 | 1% | 0.012 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 130.9 | 176 | -174.3 | 0 | 0 | 0 | 0 | 109.5 | V356 F373 L376 K398 L399 I400 F1089 L1091 | V356-V358 HydrophobicContact CG1-CG2 4.43Å; V358-F373 HydrophobicContact CG1-CD2 4.08Å; V358-F373 HydrophobicContact CG1-CE2 4.35Å; V358-L376 HydrophobicContact CG1-CD2 4.08Å; V358-K398 PolarHBondContact N-O 3.3Å; V358-L399 HydrophobicContact CB-CD2 3.67Å; V358-L399 HydrophobicContact CG2-CD2 3.57Å; V358-L399 WeakPolarHBondContact O-CA 3.27Å; V358-I400 PolarHBondContact O-N 3.15Å; V358-F1089 CarbonylContact C-O 3.56Å; V358-F1089 WeakPolarHBondContact CA-O 3.35Å; V358-F1089 HydrophobicContact CG1-CB 4.34Å; V358-F1089 HydrophobicContact CG2-CB 4.38Å; V358-F1089 HydrophobicContact CG2-CD2 4.06Å; V358-L1091 HydrophobicContact CG1-CD1 3.69Å; V358-L1091 HydrophobicContact CG1-CG 3.97Å |
| 359 | S | 98.6 | Very high | 97.1 | Very high | 1 Ų | 1 | 17.6 Ų | 17.6 | 1% | 0.007 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 149 | 169.5 | 61.8 | 0 | 0 | 0 | 0 | 111.6 | I400 Y1088 F1089 D1090 L1091 | S359-I400 WeakPolarHBondContact CA-O 3.17Å; S359-Y1088 PolarHBondContact OG-OH 3.19Å; S359-Y1088 VanDerWaalsContact OG-OH 3.08Å; S359-F1089 PolarHBondContact N-O 3.15Å; S359-D1090 PolarHBondContact OG-OD1 2.78Å; S359-L1091 PolarHBondContact O-N 3.01Å |
| 360 | A | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 164.5 | 179 | 0 | 0 | 0 | 0 | 0 | 112.8 | V362 F373 I400 M402 L403 L1091 | A360-V362 VanDerWaalsContact C-N 3.34Å; A360-V362 PolarHBondContact O-N 2.84Å; A360-F373 HydrophobicContact CB-CB 4.29Å; A360-F373 HydrophobicContact CB-CD2 4.05Å; A360-F373 HydrophobicContact CB-CG 4.44Å; A360-I400 PolarHBondContact N-O 2.96Å; A360-I400 VanDerWaalsContact N-O 3.12Å; A360-M402 WeakPolarHBondContact O-CA 3.29Å; A360-L403 PolarHBondContact O-N 3.45Å; A360-L1091 HydrophobicContact CB-CB 4.01Å; A360-L1091 HydrophobicContact CB-CD1 4.31Å |
| 361 | R | 98 | Very high | 97.3 | Very high | 3 Ų | 3 | 16.5 Ų | 16.5 | 1% | 0.011 | 9% | 0.087 | C | C | . | . | trans | 50.2 | 46.2 | 173.3 | -61.5 | -71.7 | -72.6 | -68.4 | -0.1 | 114.3 | W184 P364 E366 S369 S370 M402 N404 | W184-R361 PolarHBondContact O-NH1 2.77Å; W184-R361 PolarHBondContact O-NH2 3.36Å; W184-R361 VanDerWaalsContact O-NH2 3.09Å; R361-P364 VanDerWaalsContact CZ-O 3.23Å; R361-P364 PolarHBondContact NE-O 2.78Å; R361-P364 PolarHBondContact NH2-O 2.89Å; R361-E366 VanDerWaalsContact CD-O 3.3Å; R361-E366 WeakPolarHBondContact CD-O 3.44Å; R361-S369 WeakPolarHBondContact CD-OG 3.43Å; R361-S369 WeakPolarHBondContact CG-OG 3.49Å; R361-S370 WeakPolarHBondContact CD-OG 3.27Å; R361-S370 WeakPolarHBondContact CG-OG 3.49Å; R361-S370 PolarHBondContact NH1-OG 2.56Å; R361-M402 HydrophobicContact CB-CG 4.01Å; R361-N404 WeakPolarHBondContact O-CB 3.44Å; R361-N404 PolarHBondContact O-N 3.24Å; R361-N404 VanDerWaalsContact O-N 3.09Å | ||
| 362 | V | 98.2 | Very high | 97.6 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 7% | 0.066 | C | C | . | . | S | Bend | trans | -67.7 | -28.1 | 160.9 | 63.4 | 0 | 0 | 0 | 0 | 111 | A360 L403 N404 L422 N423 I437 H1092 | A360-V362 VanDerWaalsContact C-N 3.34Å; A360-V362 PolarHBondContact O-N 2.84Å; V362-L403 HydrophobicContact CB-CB 3.97Å; V362-L403 HydrophobicContact CB-CD1 3.89Å; V362-L403 HydrophobicContact CG2-CB 4.41Å; V362-L403 HydrophobicContact CG2-CD1 4.39Å; V362-N404 WeakPolarHBondContact O-CB 3.2Å; V362-N404 PolarHBondContact O-ND2 3.42Å; V362-L422 HydrophobicContact CG2-CB 3.55Å; V362-N423 HydrophobicContact CG1-CB 3.97Å; V362-N423 HydrophobicContact CG2-CB 4.05Å; V362-I437 HydrophobicContact CG2-CD1 4.06Å; V362-H1092 WeakPolarHBondContact CG1-NE2 3.34Å |
| 363 | H | 97.9 | Very high | 97.9 | Very high | 2 Ų | 2 | 5.5 Ų | 5.5 | 1% | 0.009 | 3% | 0.025 | C | C | . | . | S | Bend | trans | -102.7 | 120.1 | 168.6 | -53.3 | 161.5 | 0 | 0 | 0 | 109.9 | G365 E366 R414 N423 H1092 | H363-G365 PolarHBondContact O-N 2.96Å; H363-E366 HydrophobicContact CB-CB 4.19Å; H363-E366 VanDerWaalsContact CB-CD 3.46Å; H363-E366 HydrophobicContact CB-CG 3.73Å; H363-E366 IonicContact CE1-OE1 3.2Å; H363-E366 IonicContact CG-OE1 2.94Å; H363-E366 IonicContact CG-OE2 2.71Å; H363-E366 IonicContact ND1-OE1 3.75Å; H363-E366 PolarHBondContact ND1-OE1 3.24Å; H363-E366 IonicContact ND1-OE2 2.65Å; H363-E366 PolarHBondContact ND1-OE2 3.03Å; H363-E366 VanDerWaalsContact ND1-OE2 3.11Å; H363-E366 PolarHBondContact O-N 3.23Å; H363-R414 PolarHBondContact CD2-NH1 3.04Å; H363-R414 PolarHBondContact CE1-NH2 2.95Å; H363-R414 PolarHBondContact NE2-NH1 2.97Å; H363-R414 PolarHBondContact NE2-NH2 3.49Å; H363-N423 VanDerWaalsContact NE2-CB 3.25Å; H363-N423 WeakPolarHBondContact NE2-CB 3.47Å; H363-H1092 AromaticContact CD2-NE2 3.03Å; H363-H1092 PolarHBondContact CD2-NE2 2.84Å; H363-H1092 AromaticContact CE1-CE1 3.06Å; H363-H1092 PolarHBondContact CE1-CE1 2.93Å; H363-H1092 AromaticContact CE1-ND1 3.31Å; H363-H1092 PolarHBondContact CE1-ND1 2.88Å; H363-H1092 VanDerWaalsContact CE1-ND1 3.31Å; H363-H1092 AromaticContact CE1-NE2 2.49Å; H363-H1092 PolarHBondContact CE1-NE2 2.91Å; H363-H1092 AromaticContact CG-CE1 3.45Å; H363-H1092 VanDerWaalsContact CG-CE1 3.45Å; H363-H1092 AromaticContact CG-ND1 4Å; H363-H1092 AromaticContact CG-NE2 3.22Å; H363-H1092 AromaticContact ND1-CE1 2.63Å; H363-H1092 PolarHBondContact ND1-CE1 3.39Å; H363-H1092 AromaticContact ND1-ND1 3.24Å; H363-H1092 PolarHBondContact ND1-ND1 3.07Å; H363-H1092 AromaticContact ND1-NE2 2.93Å; H363-H1092 PolarHBondContact ND1-NE2 3.26Å; H363-H1092 AromaticContact NE2-NE2 2.58Å; H363-H1092 PolarHBondContact NE2-NE2 3.45Å |
| 364 | P | 98.1 | Very high | 98 | Very high | 3 Ų | 3 | 5.9 Ų | 5.9 | 2% | 0.019 | 3% | 0.028 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -42.3 | -173 | -33.9 | 40.4 | 0 | 0 | 0 | 116.3 | R361 E366 N404 G407 V408 H412 | R361-P364 VanDerWaalsContact CZ-O 3.23Å; R361-P364 PolarHBondContact NE-O 2.78Å; R361-P364 PolarHBondContact NH2-O 2.89Å; P364-E366 VanDerWaalsContact C-N 3.27Å; P364-E366 PolarHBondContact O-N 3.24Å; P364-N404 WeakPolarHBondContact CD-ND2 3.42Å; P364-N404 HydrophobicContact CG-CB 4.37Å; P364-N404 WeakPolarHBondContact CG-ND2 3.34Å; P364-G407 VanDerWaalsContact CG-C 3.45Å; P364-V408 HydrophobicContact CB-CG2 3.88Å; P364-V408 HydrophobicContact CG-CG2 4.46Å; P364-H412 HydrophobicContact CB-CB 4.19Å; P364-H412 VanDerWaalsContact CB-O 3.31Å; P364-H412 WeakPolarHBondContact CB-O 3.34Å; P364-H412 HydrophobicContact CG-CB 4.12Å |
| 365 | G | 97 | Very high | 98 | Very high | 0 Ų | 0 | 2.4 Ų | 2.4 | 0% | 0 | 1% | 0.012 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -9.6 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | H363 T367 Y413 Y1177 | H363-G365 PolarHBondContact O-N 2.96Å; G365-T367 PolarHBondContact O-N 2.88Å; G365-Y413 PolarHBondContact N-O 3.36Å; G365-Y1177 WeakPolarHBondContact O-CE1 3.08Å; G365-Y1177 PolarHBondContact O-OH 3.44Å |
| 366 | E | 97.3 | Very high | 98 | Very high | 6 Ų | 6 | 2.4 Ų | 2.4 | 3% | 0.028 | 1% | 0.013 | C | C | . | . | trans | -83.6 | 54.2 | -174.2 | -64.1 | -173.9 | -170.1 | 0 | 0 | 112.3 | R361 H363 P364 P368 S369 H1092 G1093 Y1177 | R361-E366 VanDerWaalsContact CD-O 3.3Å; R361-E366 WeakPolarHBondContact CD-O 3.44Å; H363-E366 HydrophobicContact CB-CB 4.19Å; H363-E366 VanDerWaalsContact CB-CD 3.46Å; H363-E366 HydrophobicContact CB-CG 3.73Å; H363-E366 IonicContact CE1-OE1 3.2Å; H363-E366 IonicContact CG-OE1 2.94Å; H363-E366 IonicContact CG-OE2 2.71Å; H363-E366 IonicContact ND1-OE1 3.75Å; H363-E366 PolarHBondContact ND1-OE1 3.24Å; H363-E366 IonicContact ND1-OE2 2.65Å; H363-E366 PolarHBondContact ND1-OE2 3.03Å; H363-E366 VanDerWaalsContact ND1-OE2 3.11Å; H363-E366 PolarHBondContact O-N 3.23Å; P364-E366 VanDerWaalsContact C-N 3.27Å; P364-E366 PolarHBondContact O-N 3.24Å; E366-P368 VanDerWaalsContact C-N 3.34Å; E366-S369 WeakPolarHBondContact O-CB 3.47Å; E366-S369 PolarHBondContact O-N 2.69Å; E366-S369 VanDerWaalsContact O-N 3.14Å; E366-S369 PolarHBondContact O-OG 3.29Å; E366-H1092 IonicContact OE1-CE1 2.8Å; E366-H1092 PolarHBondContact OE1-CE1 3.14Å; E366-H1092 VanDerWaalsContact OE1-CE1 3.24Å; E366-H1092 WeakPolarHBondContact OE2-CA 3.16Å; E366-H1092 WeakPolarHBondContact OE2-CB 3.39Å; E366-H1092 CovalentContact OE2-CE1 1.82Å; E366-H1092 IonicContact OE2-CE1 3.13Å; E366-H1092 PolarHBondContact OE2-CE1 2.72Å; E366-H1092 IonicContact OE2-CG 2.81Å; E366-H1092 IonicContact OE2-ND1 3.2Å; E366-H1092 PolarHBondContact OE2-ND1 3.49Å; E366-G1093 WeakPolarHBondContact CG-O 3.45Å; E366-G1093 PolarHBondContact OE2-N 3.26Å; E366-G1093 VanDerWaalsContact OE2-N 3.07Å; E366-Y1177 WeakPolarHBondContact CA-OH 3.29Å; E366-Y1177 WeakPolarHBondContact CG-OH 3.08Å | ||
| 367 | T | 97.8 | Very high | 98 | Very high | 0 Ų | 0 | 2.6 Ų | 2.6 | 0% | 0 | 1% | 0.013 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -27.6 | -174.5 | 66.5 | 0 | 0 | 0 | 0 | 116.5 | W96 Y182 G365 S369 S370 H371 | W96-T367 HydrophobicContact CH2-CG2 3.68Å; W96-T367 HydrophobicContact CZ2-CG2 4.48Å; W96-T367 HydrophobicContact CZ3-CG2 3.76Å; Y182-T367 WeakPolarHBondContact O-CB 3.35Å; Y182-T367 PolarHBondContact O-OG1 2.95Å; G365-T367 PolarHBondContact O-N 2.88Å; T367-S369 PolarHBondContact O-N 3Å; T367-S369 VanDerWaalsContact O-N 3.12Å; T367-S370 PolarHBondContact O-N 2.82Å; T367-H371 PolarHBondContact O-CD2 2.92Å |
| 368 | P | 97.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 3.4 Ų | 3.4 | 0% | 0 | 2% | 0.017 | C | C | . | . | H | α-helix | trans | -49.5 | -35.9 | 171.2 | -33.1 | 39.6 | 0 | 0 | 0 | 114.1 | E366 S370 H371 V372 C1175 Y1177 Y1256 | E366-P368 VanDerWaalsContact C-N 3.34Å; P368-S370 VanDerWaalsContact C-N 3.29Å; P368-S370 PolarHBondContact O-N 2.93Å; P368-H371 PolarHBondContact O-N 3.16Å; P368-V372 PolarHBondContact O-N 3.24Å; P368-C1175 HydrophobicContact CB-CB 3.73Å; P368-Y1177 VanDerWaalsContact CD-CE1 3.46Å; P368-Y1177 HydrophobicContact CG-CD1 3.56Å; P368-Y1177 HydrophobicContact CG-CE1 3.93Å; P368-Y1177 HydrophobicContact CG-CG 4.17Å; P368-Y1256 HydrophobicContact CB-CD1 3.94Å; P368-Y1256 HydrophobicContact CB-CD2 4.44Å; P368-Y1256 HydrophobicContact CB-CE1 3.74Å; P368-Y1256 HydrophobicContact CB-CE2 4.28Å; P368-Y1256 HydrophobicContact CB-CG 4.29Å; P368-Y1256 HydrophobicContact CG-CE1 4.18Å; P368-Y1256 HydrophobicContact CG-CE2 4.4Å |
| 369 | S | 98.1 | Very high | 97.7 | Very high | 0 Ų | 0 | 3.3 Ų | 3.3 | 0% | 0 | 2% | 0.016 | C | C | . | . | H | α-helix | trans | -59.9 | -34.1 | 178.7 | 61.4 | 0 | 0 | 0 | 0 | 113.9 | R361 E366 T367 F373 L1091 | R361-S369 WeakPolarHBondContact CD-OG 3.43Å; R361-S369 WeakPolarHBondContact CG-OG 3.49Å; E366-S369 WeakPolarHBondContact O-CB 3.47Å; E366-S369 PolarHBondContact O-N 2.69Å; E366-S369 VanDerWaalsContact O-N 3.14Å; E366-S369 PolarHBondContact O-OG 3.29Å; T367-S369 PolarHBondContact O-N 3Å; T367-S369 VanDerWaalsContact O-N 3.12Å; S369-F373 WeakPolarHBondContact O-CB 3.47Å; S369-F373 PolarHBondContact O-N 3.34Å; S369-L1091 WeakPolarHBondContact CB-O 3.34Å |
| 370 | S | 98.4 | Very high | 97.6 | Very high | 3 Ų | 3 | 3.2 Ų | 3.2 | 2% | 0.021 | 2% | 0.016 | C | C | . | . | H | α-helix | trans | -69.2 | -33.6 | 174.8 | -67 | 0 | 0 | 0 | 0 | 112.5 | R361 T367 P368 F373 N374 | R361-S370 WeakPolarHBondContact CD-OG 3.27Å; R361-S370 WeakPolarHBondContact CG-OG 3.49Å; R361-S370 PolarHBondContact NH1-OG 2.56Å; T367-S370 PolarHBondContact O-N 2.82Å; P368-S370 VanDerWaalsContact C-N 3.29Å; P368-S370 PolarHBondContact O-N 2.93Å; S370-F373 PolarHBondContact O-N 2.82Å; S370-N374 WeakPolarHBondContact O-CB 3.42Å; S370-N374 VanDerWaalsContact O-CG 3.24Å; S370-N374 PolarHBondContact O-N 3.41Å; S370-N374 PolarHBondContact O-ND2 3.23Å |
| 371 | H | 97.8 | Very high | 97.4 | Very high | 7 Ų | 7 | 3.4 Ų | 3.4 | 3% | 0.032 | 2% | 0.017 | C | C | . | . | H | α-helix | trans | -75.3 | -35.1 | 177.9 | -58.3 | -69.2 | 0 | 0 | 0 | 111.2 | Y182 W184 T367 P368 N374 G375 P1253 Y1256 E1257 | Y182-H371 PolarHBondContact O-NE2 3.34Å; Y182-H371 VanDerWaalsContact O-NE2 3.17Å; W184-H371 AromaticContact CE3-CE1 3.81Å; T367-H371 PolarHBondContact O-CD2 2.92Å; P368-H371 PolarHBondContact O-N 3.16Å; H371-N374 PolarHBondContact O-N 2.96Å; H371-G375 PolarHBondContact O-N 2.72Å; H371-P1253 HydrophobicContact CB-CB 4.47Å; H371-Y1256 HydrophobicContact CB-CD2 3.8Å; H371-Y1256 HydrophobicContact CB-CG 4.1Å; H371-E1257 WeakPolarHBondContact O-CA 3.49Å; H371-E1257 WeakPolarHBondContact O-CG 3.31Å |
| 372 | V | 98.3 | Very high | 97 | Very high | 1 Ų | 1 | 4.3 Ų | 4.3 | 1% | 0.006 | 2% | 0.02 | C | C | . | . | H | α-helix | trans | -60.8 | -46.6 | 167 | -179.4 | 0 | 0 | 0 | 0 | 111 | P368 N374 G375 L376 L1091 C1175 Y1256 G1260 L1263 | P368-V372 PolarHBondContact O-N 3.24Å; V372-N374 VanDerWaalsContact C-N 3.32Å; V372-N374 PolarHBondContact O-N 3.23Å; V372-G375 PolarHBondContact O-N 3.46Å; V372-L376 PolarHBondContact O-N 3.09Å; V372-L376 VanDerWaalsContact O-N 3.15Å; V372-L1091 HydrophobicContact CB-CD1 4.21Å; V372-L1091 HydrophobicContact CG1-CD1 3.9Å; V372-L1091 HydrophobicContact CG1-CD2 4.15Å; V372-C1175 VanDerWaalsContact CG2-SG 3.54Å; V372-Y1256 WeakPolarHBondContact CA-O 3.23Å; V372-G1260 WeakPolarHBondContact O-CA 3.22Å; V372-L1263 HydrophobicContact CG1-CD1 4.04Å |
| 373 | F | 98.7 | Very high | 96.5 | Very high | 4 Ų | 4 | 5.6 Ų | 5.6 | 2% | 0.018 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -60.3 | -40.1 | 176.6 | -172.7 | -84.3 | 0 | 0 | 0 | 112.3 | V358 A360 S369 S370 L376 L377 L399 P401 L1091 | V358-F373 HydrophobicContact CG1-CD2 4.08Å; V358-F373 HydrophobicContact CG1-CE2 4.35Å; A360-F373 HydrophobicContact CB-CB 4.29Å; A360-F373 HydrophobicContact CB-CD2 4.05Å; A360-F373 HydrophobicContact CB-CG 4.44Å; S369-F373 WeakPolarHBondContact O-CB 3.47Å; S369-F373 PolarHBondContact O-N 3.34Å; S370-F373 PolarHBondContact O-N 2.82Å; F373-L376 WeakPolarHBondContact O-CG 3.11Å; F373-L377 HydrophobicContact CE1-CD2 4.05Å; F373-L377 WeakPolarHBondContact O-CB 3.45Å; F373-L377 PolarHBondContact O-N 3.15Å; F373-L399 HydrophobicContact CE2-CB 3.75Å; F373-L399 HydrophobicContact CZ-CB 3.59Å; F373-L399 HydrophobicContact CZ-CD1 4.45Å; F373-P401 HydrophobicContact CD1-CB 4.25Å; F373-P401 HydrophobicContact CE1-CB 3.64Å; F373-P401 HydrophobicContact CE1-CG 3.72Å; F373-P401 HydrophobicContact CE2-CB 4.39Å; F373-P401 HydrophobicContact CE2-CG 4.48Å; F373-P401 VanDerWaalsContact CZ-CA 3.48Å; F373-P401 HydrophobicContact CZ-CB 3.73Å; F373-P401 HydrophobicContact CZ-CG 3.55Å; F373-L1091 HydrophobicContact CB-CD1 4.06Å; F373-L1091 HydrophobicContact CD2-CD1 4.38Å |
| 374 | N | 97.5 | Very high | 95.8 | Very high | 14 Ų | 14 | 7 Ų | 7 | 8% | 0.075 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -65.9 | -37.5 | 175.1 | -76.4 | -24.6 | 0 | 0 | 0 | 112.5 | W184 Q192 S370 H371 V372 L377 E378 | W184-N374 WeakPolarHBondContact CH2-ND2 3.48Å; W184-N374 WeakPolarHBondContact CZ2-ND2 3.46Å; W184-N374 WeakPolarHBondContact CZ3-ND2 3.49Å; Q192-N374 PolarHBondContact NE2-OD1 3.14Å; Q192-N374 PolarHBondContact OE1-OD1 2.66Å; S370-N374 WeakPolarHBondContact O-CB 3.42Å; S370-N374 VanDerWaalsContact O-CG 3.24Å; S370-N374 PolarHBondContact O-N 3.41Å; S370-N374 PolarHBondContact O-ND2 3.23Å; H371-N374 PolarHBondContact O-N 2.96Å; V372-N374 VanDerWaalsContact C-N 3.32Å; V372-N374 PolarHBondContact O-N 3.23Å; N374-L377 PolarHBondContact O-N 3.1Å; N374-E378 VanDerWaalsContact O-CB 3.28Å; N374-E378 WeakPolarHBondContact O-CB 3.45Å; N374-E378 PolarHBondContact O-N 3.41Å |
| 375 | G | 96.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -65.4 | -43.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | H371 V372 F379 E1257 R1261 | H371-G375 PolarHBondContact O-N 2.72Å; V372-G375 PolarHBondContact O-N 3.46Å; G375-F379 WeakPolarHBondContact O-CB 3.5Å; G375-F379 PolarHBondContact O-N 2.85Å; G375-E1257 WeakPolarHBondContact CA-O 3.45Å; G375-R1261 WeakPolarHBondContact O-CG 3.27Å |
| 376 | L | 98.1 | Very high | 94.8 | Very high | 1 Ų | 1 | 10.7 Ų | 10.7 | 1% | 0.005 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -69.9 | -38.3 | 173.7 | 66.3 | 90.4 | 0 | 0 | 0 | 111.6 | V358 V372 F373 F379 L380 L399 L1091 G1260 M1264 | V358-L376 HydrophobicContact CG1-CD2 4.08Å; V372-L376 PolarHBondContact O-N 3.09Å; V372-L376 VanDerWaalsContact O-N 3.15Å; F373-L376 WeakPolarHBondContact O-CG 3.11Å; L376-F379 PolarHBondContact O-N 2.74Å; L376-L380 HydrophobicContact CD1-CD1 4.24Å; L376-L380 WeakPolarHBondContact O-CB 3.33Å; L376-L380 VanDerWaalsContact O-CG 3.23Å; L376-L380 WeakPolarHBondContact O-CG 3.5Å; L376-L380 PolarHBondContact O-N 3.47Å; L376-L399 HydrophobicContact CD1-CD1 4.14Å; L376-L399 HydrophobicContact CD1-CD2 4.01Å; L376-L1091 HydrophobicContact CD2-CD1 4.09Å; L376-G1260 WeakPolarHBondContact CB-O 3.47Å; L376-M1264 HydrophobicContact CB-CG 3.69Å; L376-M1264 HydrophobicContact CB-SD 4.24Å |
| 377 | L | 98 | Very high | 94.6 | Very high | 3 Ų | 3 | 10.6 Ų | 10.6 | 2% | 0.016 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -64.3 | -48.5 | 178.5 | 177.1 | 60.8 | 0 | 0 | 0 | 111.8 | L196 L318 I320 F373 N374 F379 L380 L381 L399 | L196-L377 HydrophobicContact CD1-CD2 4.03Å; L318-L377 HydrophobicContact CD1-CD1 4.02Å; L318-L377 HydrophobicContact CD1-CD2 4.28Å; I320-L377 HydrophobicContact CD1-CD1 3.44Å; I320-L377 VanDerWaalsContact CD1-CD1 3.44Å; F373-L377 HydrophobicContact CE1-CD2 4.05Å; F373-L377 WeakPolarHBondContact O-CB 3.45Å; F373-L377 PolarHBondContact O-N 3.15Å; N374-L377 PolarHBondContact O-N 3.1Å; L377-F379 VanDerWaalsContact C-N 3.31Å; L377-F379 PolarHBondContact O-N 3.08Å; L377-L380 PolarHBondContact O-N 3.15Å; L377-L381 HydrophobicContact CD1-CD1 3.78Å; L377-L381 HydrophobicContact CD1-CG 4.23Å; L377-L381 HydrophobicContact CG-CD1 4.09Å; L377-L381 WeakPolarHBondContact O-CB 3.21Å; L377-L381 VanDerWaalsContact O-CG 3.26Å; L377-L381 WeakPolarHBondContact O-CG 3.43Å; L377-L381 PolarHBondContact O-N 3.26Å; L377-L381 VanDerWaalsContact O-N 3.13Å; L377-L399 HydrophobicContact CD1-CD1 4.1Å |
| 378 | E | 95.1 | Very high | 94.4 | Very high | 21 Ų | 21 | 10.6 Ų | 10.6 | 10% | 0.098 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -59 | -43.7 | 177.4 | -175.2 | -93.6 | 140.6 | 0 | 0 | 111.2 | N374 L381 R382 R628 | N374-E378 VanDerWaalsContact O-CB 3.28Å; N374-E378 WeakPolarHBondContact O-CB 3.45Å; N374-E378 PolarHBondContact O-N 3.41Å; E378-L381 PolarHBondContact O-N 2.71Å; E378-R382 WeakPolarHBondContact O-CG 3.39Å; E378-R382 PolarHBondContact O-N 3.14Å; E378-R382 IonicContact OE1-CZ 2.78Å; E378-R382 IonicContact OE1-NE 2.95Å; E378-R382 PolarHBondContact OE1-NE 2.55Å; E378-R382 IonicContact OE1-NH2 3.93Å; E378-R382 PolarHBondContact OE1-NH2 3.3Å; E378-R382 VanDerWaalsContact OE1-NH2 3.13Å; E378-R382 IonicContact OE2-CZ 2.55Å; E378-R382 IonicContact OE2-NE 1.82Å; E378-R382 IonicContact OE2-NH2 3.64Å; E378-R382 PolarHBondContact OE2-NH2 2.97Å; E378-R628 IonicContact OE1-NE 3.72Å |
| 379 | F | 96 | Very high | 94.2 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -66.4 | -46 | 178.7 | 177.6 | -112 | 0 | 0 | 0 | 113.3 | G375 L376 L377 L381 R382 D385 R387 A388 L391 R1261 M1264 I1265 | G375-F379 WeakPolarHBondContact O-CB 3.5Å; G375-F379 PolarHBondContact O-N 2.85Å; L376-F379 PolarHBondContact O-N 2.74Å; L377-F379 VanDerWaalsContact C-N 3.31Å; L377-F379 PolarHBondContact O-N 3.08Å; F379-L381 PolarHBondContact O-N 3.09Å; F379-L381 VanDerWaalsContact O-N 3.16Å; F379-R382 WeakPolarHBondContact O-CB 3.42Å; F379-R382 PolarHBondContact O-N 3.35Å; F379-D385 WeakPolarHBondContact CE2-OD2 3.43Å; F379-R387 HydrophobicContact CE2-CB 4.47Å; F379-R387 HydrophobicContact CZ-CB 3.83Å; F379-A388 WeakPolarHBondContact O-CB 3.45Å; F379-L391 HydrophobicContact CD1-CD1 4.31Å; F379-L391 HydrophobicContact CE1-CD1 3.54Å; F379-L391 HydrophobicContact CZ-CD1 4.35Å; F379-R1261 HydrophobicContact CB-CG 3.82Å; F379-R1261 HydrophobicContact CD2-CG 4.47Å; F379-R1261 HydrophobicContact CG-CG 4.15Å; F379-M1264 HydrophobicContact CD1-CB 3.74Å; F379-M1264 HydrophobicContact CD1-CG 4.23Å; F379-M1264 HydrophobicContact CE1-CB 3.7Å; F379-I1265 HydrophobicContact CE1-CG1 3.96Å; F379-I1265 HydrophobicContact CE2-CG1 4.48Å; F379-I1265 HydrophobicContact CZ-CD1 4.18Å; F379-I1265 HydrophobicContact CZ-CG1 3.65Å |
| 380 | L | 96.7 | Very high | 94 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -62.5 | -19.4 | 175.1 | -71.2 | 173 | 0 | 0 | 0 | 113.3 | I320 L376 L377 L391 R392 F397 L399 M1264 | I320-L380 HydrophobicContact CG2-CB 4.37Å; L376-L380 HydrophobicContact CD1-CD1 4.24Å; L376-L380 WeakPolarHBondContact O-CB 3.33Å; L376-L380 VanDerWaalsContact O-CG 3.23Å; L376-L380 WeakPolarHBondContact O-CG 3.5Å; L376-L380 PolarHBondContact O-N 3.47Å; L377-L380 PolarHBondContact O-N 3.15Å; L380-L391 HydrophobicContact CD2-CB 4.28Å; L380-L391 HydrophobicContact CD2-CD1 4.19Å; L380-R392 PolarHBondContact O-NH1 2.92Å; L380-F397 HydrophobicContact CD1-CB 4.07Å; L380-F397 HydrophobicContact CD1-CD1 3.65Å; L380-F397 HydrophobicContact CD1-CD2 4.17Å; L380-F397 HydrophobicContact CD1-CE1 4.18Å; L380-F397 HydrophobicContact CD1-CG 3.66Å; L380-F397 HydrophobicContact CD2-CD1 4.11Å; L380-F397 HydrophobicContact CD2-CD2 3.81Å; L380-F397 HydrophobicContact CD2-CE1 3.9Å; L380-F397 HydrophobicContact CD2-CE2 3.58Å; L380-F397 HydrophobicContact CD2-CG 4.09Å; L380-F397 HydrophobicContact CD2-CZ 3.64Å; L380-L399 HydrophobicContact CD1-CD1 4.29Å; L380-M1264 HydrophobicContact CD1-SD 4.08Å; L380-M1264 HydrophobicContact CD2-SD 4.3Å; L380-M1264 HydrophobicContact CG-CG 4.46Å; L380-M1264 HydrophobicContact CG-SD 4.36Å |
| 381 | L | 95.2 | Very high | 94 | Very high | 3 Ų | 3 | 13.6 Ų | 13.6 | 2% | 0.016 | 7% | 0.068 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | -1.5 | 176.3 | -67.5 | 176.7 | 0 | 0 | 0 | 114.1 | L196 F200 I299 F301 I320 L377 E378 F379 I383 | L196-L381 HydrophobicContact CD1-CD1 4.27Å; L196-L381 HydrophobicContact CD2-CD1 3.46Å; L196-L381 VanDerWaalsContact CD2-CD1 3.46Å; F200-L381 HydrophobicContact CE2-CD2 3.84Å; F200-L381 HydrophobicContact CZ-CD2 3.85Å; I299-L381 WeakPolarHBondContact CD1-O 3.48Å; I299-L381 HydrophobicContact CG2-CD2 4.3Å; F301-L381 HydrophobicContact CD2-CD2 4Å; I320-L381 HydrophobicContact CD1-CD2 3.93Å; I320-L381 HydrophobicContact CD1-CG 4.2Å; I320-L381 HydrophobicContact CG2-CD2 4.29Å; L377-L381 HydrophobicContact CD1-CD1 3.78Å; L377-L381 HydrophobicContact CD1-CG 4.23Å; L377-L381 HydrophobicContact CG-CD1 4.09Å; L377-L381 WeakPolarHBondContact O-CB 3.21Å; L377-L381 VanDerWaalsContact O-CG 3.26Å; L377-L381 WeakPolarHBondContact O-CG 3.43Å; L377-L381 PolarHBondContact O-N 3.26Å; L377-L381 VanDerWaalsContact O-N 3.13Å; E378-L381 PolarHBondContact O-N 2.71Å; F379-L381 PolarHBondContact O-N 3.09Å; F379-L381 VanDerWaalsContact O-N 3.16Å; L381-I383 PolarHBondContact O-N 3.29Å |
| 382 | R | 89 | Confident | 93.9 | Very high | 23 Ų | 23 | 13.4 Ų | 13.4 | 9% | 0.087 | 7% | 0.067 | C | C | . | . | trans | -66.9 | 123.6 | 173.6 | -68.6 | -179.1 | -174.7 | -176.4 | -0.2 | 110.3 | E378 F379 D385 A388 R392 | E378-R382 WeakPolarHBondContact O-CG 3.39Å; E378-R382 PolarHBondContact O-N 3.14Å; E378-R382 IonicContact OE1-CZ 2.78Å; E378-R382 IonicContact OE1-NE 2.95Å; E378-R382 PolarHBondContact OE1-NE 2.55Å; E378-R382 IonicContact OE1-NH2 3.93Å; E378-R382 PolarHBondContact OE1-NH2 3.3Å; E378-R382 VanDerWaalsContact OE1-NH2 3.13Å; E378-R382 IonicContact OE2-CZ 2.55Å; E378-R382 IonicContact OE2-NE 1.82Å; E378-R382 IonicContact OE2-NH2 3.64Å; E378-R382 PolarHBondContact OE2-NH2 2.97Å; F379-R382 WeakPolarHBondContact O-CB 3.42Å; F379-R382 PolarHBondContact O-N 3.35Å; R382-D385 HydrophobicContact CB-CB 3.85Å; R382-D385 IonicContact NH1-OD2 2.74Å; R382-A388 HydrophobicContact CB-CB 4.37Å; R382-R392 PolarHBondContact O-NH1 3.41Å; R382-R392 PolarHBondContact O-NH2 3.46Å | ||
| 383 | I | 87.3 | Confident | 93.8 | Very high | 26 Ų | 26 | 16.3 Ų | 16.3 | 13% | 0.133 | 8% | 0.08 | C | C | . | . | S | Bend | trans | -72.4 | -39.3 | -178.7 | -173.3 | 179.9 | 0 | 0 | 0 | 112.7 | D294 L295 K298 I299 L381 C389 | D294-I383 HydrophobicContact CB-CD1 4.2Å; L295-I383 HydrophobicContact CB-CD1 4.19Å; L295-I383 HydrophobicContact CD1-CB 4.08Å; L295-I383 HydrophobicContact CD1-CD1 4.16Å; L295-I383 HydrophobicContact CD1-CG1 4.39Å; K298-I383 HydrophobicContact CB-CG1 4.4Å; K298-I383 HydrophobicContact CD-CD1 4.02Å; K298-I383 HydrophobicContact CD-CG1 3.67Å; I299-I383 HydrophobicContact CD1-CB 4.5Å; L381-I383 PolarHBondContact O-N 3.29Å; I383-C389 PolarHBondContact O-SG 3.48Å |
| 384 | N | 82.7 | Confident | 93.6 | Very high | 33 Ų | 33 | 18.7 Ų | 18.7 | 18% | 0.176 | 9% | 0.091 | C | C | . | . | S | Bend | trans | -108.1 | 2.7 | -170.8 | -65.1 | -11.1 | 0 | 0 | 0 | 115 | H386 | N384-H386 PolarHBondContact O-N 3.01Š|
| 385 | D | 86.6 | Confident | 93.7 | Very high | 1 Ų | 1 | 18.8 Ų | 18.8 | 1% | 0.005 | 9% | 0.09 | C | C | . | . | trans | -81.1 | 112.9 | 174.8 | -167.3 | -47.4 | 0 | 0 | 0 | 109 | F379 R382 R387 A388 C389 | F379-D385 WeakPolarHBondContact CE2-OD2 3.43Å; R382-D385 HydrophobicContact CB-CB 3.85Å; R382-D385 IonicContact NH1-OD2 2.74Å; D385-R387 PolarHBondContact O-N 3.19Å; D385-R387 VanDerWaalsContact O-N 3.1Å; D385-R387 WeakPolarHBondContact OD1-CB 3.39Å; D385-R387 IonicContact OD1-CZ 3.26Å; D385-R387 PolarHBondContact OD1-N 2.84Å; D385-R387 IonicContact OD1-NE 2.66Å; D385-R387 PolarHBondContact OD1-NE 2.82Å; D385-R387 IonicContact OD1-NH2 3.48Å; D385-R387 PolarHBondContact OD1-NH2 2.92Å; D385-R387 IonicContact OD2-CZ 3.82Å; D385-R387 IonicContact OD2-NE 2.71Å; D385-R387 IonicContact OD2-NH2 3.11Å; D385-R387 PolarHBondContact OD2-NH2 3.21Å; D385-A388 HydrophobicContact CB-CB 4.05Å; D385-A388 WeakPolarHBondContact O-CB 3.44Å; D385-A388 PolarHBondContact O-N 3.12Å; D385-C389 PolarHBondContact O-N 3.12Å | ||
| 386 | H | 88.5 | Confident | 93.8 | Very high | 79 Ų | 79 | 18.8 Ų | 18.8 | 37% | 0.366 | 9% | 0.09 | S | C | . | . | H | α-helix | trans | -56.1 | -32.4 | -174.8 | -70.2 | -177.7 | 0 | 0 | 0 | 112.2 | N384 C389 E390 P1275 W1276 E1288 | N384-H386 PolarHBondContact O-N 3.01Å; H386-C389 WeakPolarHBondContact O-CB 3.38Å; H386-C389 PolarHBondContact O-N 3.48Å; H386-E390 PolarHBondContact O-N 2.98Å; H386-P1275 HydrophobicContact CB-CB 4.17Å; H386-P1275 HydrophobicContact CB-CG 3.71Å; H386-W1276 HydrophobicContact CB-CD2 4.26Å; H386-W1276 HydrophobicContact CB-CE3 4.28Å; H386-W1276 HydrophobicContact CB-CH2 3.77Å; H386-W1276 HydrophobicContact CB-CZ2 3.73Å; H386-W1276 HydrophobicContact CB-CZ3 4.04Å; H386-W1276 AromaticContact CD2-CH2 3.96Å; H386-W1276 AromaticContact CD2-CZ2 3.96Å; H386-W1276 AromaticContact CE1-CZ2 3.7Å; H386-W1276 AromaticContact CG-CE2 3.92Å; H386-W1276 AromaticContact CG-CH2 3.6Å; H386-W1276 AromaticContact CG-CZ2 3.33Å; H386-W1276 AromaticContact ND1-CE2 3.61Å; H386-W1276 AromaticContact ND1-CH2 3.91Å; H386-W1276 AromaticContact ND1-CZ2 3.15Å; H386-W1276 WeakPolarHBondContact ND1-CZ2 3.13Å; H386-W1276 AromaticContact ND1-NE1 3.87Å; H386-E1288 IonicContact CE1-OE1 3.77Å; H386-E1288 PolarHBondContact CE1-OE1 3.38Å; H386-E1288 IonicContact ND1-OE1 2.82Å; H386-E1288 PolarHBondContact ND1-OE1 3.11Å; H386-E1288 VanDerWaalsContact ND1-OE1 3.11Å |
| 387 | R | 92.9 | Very high | 93.8 | Very high | 3 Ų | 3 | 18.7 Ų | 18.7 | 1% | 0.011 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -68.7 | -41.8 | 177.1 | -57.6 | 169.7 | -65.1 | -172.5 | 3.7 | 111.5 | F379 D385 C389 E390 L391 L1268 N1274 P1275 W1276 | F379-R387 HydrophobicContact CE2-CB 4.47Å; F379-R387 HydrophobicContact CZ-CB 3.83Å; D385-R387 PolarHBondContact O-N 3.19Å; D385-R387 VanDerWaalsContact O-N 3.1Å; D385-R387 WeakPolarHBondContact OD1-CB 3.39Å; D385-R387 IonicContact OD1-CZ 3.26Å; D385-R387 PolarHBondContact OD1-N 2.84Å; D385-R387 IonicContact OD1-NE 2.66Å; D385-R387 PolarHBondContact OD1-NE 2.82Å; D385-R387 IonicContact OD1-NH2 3.48Å; D385-R387 PolarHBondContact OD1-NH2 2.92Å; D385-R387 IonicContact OD2-CZ 3.82Å; D385-R387 IonicContact OD2-NE 2.71Å; D385-R387 IonicContact OD2-NH2 3.11Å; D385-R387 PolarHBondContact OD2-NH2 3.21Å; R387-C389 VanDerWaalsContact C-N 3.31Å; R387-C389 PolarHBondContact O-N 2.83Å; R387-E390 PolarHBondContact O-N 3.46Å; R387-L391 WeakPolarHBondContact O-CB 3.22Å; R387-L391 WeakPolarHBondContact O-CG 3.46Å; R387-L391 PolarHBondContact O-N 3.14Å; R387-L1268 HydrophobicContact CB-CD1 3.55Å; R387-L1268 HydrophobicContact CG-CD1 4.11Å; R387-N1274 WeakPolarHBondContact CG-OD1 3.45Å; R387-P1275 HydrophobicContact CG-CG 3.98Å; R387-W1276 HydrophobicContact CG-CB 4.39Å; R387-W1276 HydrophobicContact CG-CE3 4.06Å |
| 388 | A | 94.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -64.7 | -36.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | F379 R382 D385 R392 | F379-A388 WeakPolarHBondContact O-CB 3.45Å; R382-A388 HydrophobicContact CB-CB 4.37Å; D385-A388 HydrophobicContact CB-CB 4.05Å; D385-A388 WeakPolarHBondContact O-CB 3.44Å; D385-A388 PolarHBondContact O-N 3.12Å; A388-R392 WeakPolarHBondContact O-CB 3.42Å; A388-R392 WeakPolarHBondContact O-CG 3.46Å; A388-R392 PolarHBondContact O-N 3.15Å |
| 389 | C | 92.9 | Very high | 94 | Very high | 37 Ų | 37 | 17.6 Ų | 17.6 | 25% | 0.25 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -62.4 | -52.6 | 172 | -66.5 | 0 | 0 | 0 | 0 | 112.2 | I383 D385 H386 R387 L391 R392 K393 | I383-C389 PolarHBondContact O-SG 3.48Å; D385-C389 PolarHBondContact O-N 3.12Å; H386-C389 WeakPolarHBondContact O-CB 3.38Å; H386-C389 PolarHBondContact O-N 3.48Å; R387-C389 VanDerWaalsContact C-N 3.31Å; R387-C389 PolarHBondContact O-N 2.83Å; C389-L391 VanDerWaalsContact C-N 3.28Å; C389-L391 PolarHBondContact O-N 3.01Å; C389-R392 PolarHBondContact O-N 3.12Å; C389-R392 VanDerWaalsContact O-N 3.13Å; C389-R392 PolarHBondContact SG-NH2 2.84Å; C389-K393 WeakPolarHBondContact O-CB 3.44Å; C389-K393 PolarHBondContact O-N 3.26Å |
| 390 | E | 94.3 | Very high | 94.1 | Very high | 30 Ų | 30 | 17.7 Ų | 17.7 | 14% | 0.14 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -63.9 | -31.2 | 179.8 | -70.4 | -57.9 | 123.4 | 0 | 0 | 112.8 | H386 R387 K393 H394 L1268 P1275 | H386-E390 PolarHBondContact O-N 2.98Å; R387-E390 PolarHBondContact O-N 3.46Å; E390-K393 VanDerWaalsContact OE1-CD 3.29Å; E390-K393 WeakPolarHBondContact OE1-CD 3.39Å; E390-K393 IonicContact OE1-NZ 2.94Å; E390-K393 PolarHBondContact OE1-NZ 3.45Å; E390-K393 WeakPolarHBondContact OE2-CD 3.42Å; E390-K393 IonicContact OE2-NZ 2.71Å; E390-K393 PolarHBondContact OE2-NZ 2.97Å; E390-H394 PolarHBondContact O-N 3.12Å; E390-H394 PolarHBondContact O-ND1 2.95Å; E390-H394 IonicContact OE2-CE1 3.49Å; E390-H394 PolarHBondContact OE2-CE1 2.92Å; E390-H394 VanDerWaalsContact OE2-CE1 3.26Å; E390-H394 IonicContact OE2-ND1 3.19Å; E390-L1268 HydrophobicContact CB-CD2 4.07Å; E390-P1275 HydrophobicContact CG-CG 4.16Å |
| 391 | L | 96.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -62.6 | -51.7 | 169.5 | -79.6 | 164.4 | 0 | 0 | 0 | 111.8 | F379 L380 R387 C389 K393 H394 Y395 F397 M1264 I1267 L1268 | F379-L391 HydrophobicContact CD1-CD1 4.31Å; F379-L391 HydrophobicContact CE1-CD1 3.54Å; F379-L391 HydrophobicContact CZ-CD1 4.35Å; L380-L391 HydrophobicContact CD2-CB 4.28Å; L380-L391 HydrophobicContact CD2-CD1 4.19Å; R387-L391 WeakPolarHBondContact O-CB 3.22Å; R387-L391 WeakPolarHBondContact O-CG 3.46Å; R387-L391 PolarHBondContact O-N 3.14Å; C389-L391 VanDerWaalsContact C-N 3.28Å; C389-L391 PolarHBondContact O-N 3.01Å; L391-K393 PolarHBondContact O-N 3.31Å; L391-H394 PolarHBondContact O-N 3.27Å; L391-Y395 HydrophobicContact CD2-CD2 4.28Å; L391-Y395 WeakPolarHBondContact O-CB 3.35Å; L391-Y395 PolarHBondContact O-N 3.05Å; L391-F397 HydrophobicContact CB-CE2 4.05Å; L391-F397 HydrophobicContact CB-CZ 3.91Å; L391-F397 HydrophobicContact CD2-CZ 3.9Å; L391-F397 HydrophobicContact CG-CZ 4.41Å; L391-M1264 HydrophobicContact CD1-CB 3.77Å; L391-M1264 WeakPolarHBondContact CD2-O 3.33Å; L391-I1267 HydrophobicContact CD2-CB 4.17Å; L391-I1267 HydrophobicContact CD2-CG2 4.17Å; L391-L1268 HydrophobicContact CD1-CD1 4.32Å; L391-L1268 HydrophobicContact CD1-CG 4.42Å; L391-L1268 HydrophobicContact CD2-CD2 3.87Å; L391-L1268 HydrophobicContact CD2-CG 3.86Å; L391-L1268 HydrophobicContact CG-CD1 4.02Å; L391-L1268 HydrophobicContact CG-CD2 3.77Å; L391-L1268 HydrophobicContact CG-CG 3.78Å |
| 392 | R | 96.8 | Very high | 94.4 | Very high | 2 Ų | 2 | 18 Ų | 18 | 1% | 0.008 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -62.2 | -30.7 | 179.8 | -77.4 | -168.9 | -58.7 | -109.4 | 0.2 | 113 | T321 D322 K353 L380 R382 A388 C389 | T321-R392 PolarHBondContact OG1-O 3.49Å; D322-R392 HydrophobicContact CB-CB 4Å; D322-R392 PolarHBondContact N-O 3.32Å; D322-R392 VanDerWaalsContact N-O 3.08Å; K353-R392 WeakPolarHBondContact CE-O 3.49Å; K353-R392 PolarHBondContact NZ-O 3.31Å; L380-R392 PolarHBondContact O-NH1 2.92Å; R382-R392 PolarHBondContact O-NH1 3.41Å; R382-R392 PolarHBondContact O-NH2 3.46Å; A388-R392 WeakPolarHBondContact O-CB 3.42Å; A388-R392 WeakPolarHBondContact O-CG 3.46Å; A388-R392 PolarHBondContact O-N 3.15Å; C389-R392 PolarHBondContact O-N 3.12Å; C389-R392 VanDerWaalsContact O-N 3.13Å; C389-R392 PolarHBondContact SG-NH2 2.84Å |
| 393 | K | 95.3 | Very high | 94.9 | Very high | 63 Ų | 63 | 17 Ų | 17 | 27% | 0.274 | 8% | 0.083 | S | C | . | . | H | α-helix | trans | -73.1 | -29.6 | 178.2 | -175.9 | -172.1 | 178.3 | -168.2 | 0 | 114.1 | D322 K353 C389 E390 L391 | D322-K393 VanDerWaalsContact OD2-CA 3.27Å; D322-K393 WeakPolarHBondContact OD2-CA 3.48Å; D322-K393 WeakPolarHBondContact OD2-CB 3.47Å; K353-K393 WeakPolarHBondContact CE-O 3.11Å; C389-K393 WeakPolarHBondContact O-CB 3.44Å; C389-K393 PolarHBondContact O-N 3.26Å; E390-K393 VanDerWaalsContact OE1-CD 3.29Å; E390-K393 WeakPolarHBondContact OE1-CD 3.39Å; E390-K393 IonicContact OE1-NZ 2.94Å; E390-K393 PolarHBondContact OE1-NZ 3.45Å; E390-K393 WeakPolarHBondContact OE2-CD 3.42Å; E390-K393 IonicContact OE2-NZ 2.71Å; E390-K393 PolarHBondContact OE2-NZ 2.97Å; L391-K393 PolarHBondContact O-N 3.31Å |
| 394 | H | 95.6 | Very high | 95.4 | Very high | 54 Ų | 54 | 15.9 Ų | 15.9 | 25% | 0.25 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -104.9 | -20.9 | -178.7 | -66 | 98.9 | 0 | 0 | 0 | 114.2 | K353 K354 E390 L391 I1273 | K353-H394 WeakPolarHBondContact CA-O 3.44Å; K353-H394 WeakPolarHBondContact CB-O 3.13Å; K354-H394 PolarHBondContact N-O 3.12Å; E390-H394 PolarHBondContact O-N 3.12Å; E390-H394 PolarHBondContact O-ND1 2.95Å; E390-H394 IonicContact OE2-CE1 3.49Å; E390-H394 PolarHBondContact OE2-CE1 2.92Å; E390-H394 VanDerWaalsContact OE2-CE1 3.26Å; E390-H394 IonicContact OE2-ND1 3.19Å; L391-H394 PolarHBondContact O-N 3.27Å; H394-I1273 HydrophobicContact CB-CD1 4.18Å |
| 395 | Y | 98.1 | Very high | 96.1 | Very high | 15 Ų | 15 | 14.4 Ų | 14.4 | 6% | 0.059 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 151.3 | -173.2 | -59.2 | -78.8 | 0 | 0 | 0 | 114.1 | T321 K354 V356 L391 F397 A1086 I1267 N1271 I1273 | T321-Y395 WeakPolarHBondContact CB-O 3.3Å; T321-Y395 PolarHBondContact OG1-O 2.72Å; K354-Y395 HydrophobicContact CB-CD1 4.16Å; K354-Y395 HydrophobicContact CB-CE1 4.18Å; K354-Y395 VanDerWaalsContact O-CA 3.26Å; K354-Y395 WeakPolarHBondContact O-CA 3.48Å; V356-Y395 HydrophobicContact CG2-CD1 3.71Å; V356-Y395 HydrophobicContact CG2-CE1 4.42Å; V356-Y395 HydrophobicContact CG2-CG 3.98Å; L391-Y395 HydrophobicContact CD2-CD2 4.28Å; L391-Y395 WeakPolarHBondContact O-CB 3.35Å; L391-Y395 PolarHBondContact O-N 3.05Å; Y395-F397 HydrophobicContact CD2-CZ 4.4Å; Y395-F397 HydrophobicContact CG-CZ 4.33Å; Y395-A1086 HydrophobicContact CE1-CB 4.07Å; Y395-I1267 HydrophobicContact CD2-CG2 4.21Å; Y395-I1267 HydrophobicContact CE1-CG2 4.41Å; Y395-I1267 HydrophobicContact CE2-CG2 3.53Å; Y395-N1271 PolarHBondContact OH-ND2 3.31Å; Y395-I1273 HydrophobicContact CE2-CD1 4.47Å |
| 396 | V | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 116 | 163.5 | -176.1 | 0 | 0 | 0 | 0 | 108.5 | T319 T321 F350 K353 K354 V355 V356 K398 | T319-V396 HydrophobicContact CG2-CG1 3.8Å; T321-V396 HydrophobicContact CG2-CG2 4.38Å; F350-V396 HydrophobicContact CB-CG2 3.77Å; F350-V396 HydrophobicContact CD2-CG2 3.99Å; F350-V396 HydrophobicContact CG-CG2 3.96Å; K353-V396 HydrophobicContact CB-CG2 4.11Å; K353-V396 HydrophobicContact CD-CG2 4.06Å; K354-V396 PolarHBondContact O-N 3.03Å; V355-V396 WeakPolarHBondContact CA-O 3.48Å; V355-V396 HydrophobicContact CG2-CB 4.49Å; V356-V396 PolarHBondContact N-O 3.12Å; V396-K398 HydrophobicContact CG1-CD 4.49Å; V396-K398 HydrophobicContact CG1-CG 4.45Å |
| 397 | F | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 5% | 0.054 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 125.4 | 178.6 | -63.5 | -87.8 | 0 | 0 | 0 | 110 | T319 I320 V356 L380 L391 Y395 L399 M1264 | T319-F397 VanDerWaalsContact CA-O 3.3Å; T319-F397 WeakPolarHBondContact CA-O 3.17Å; I320-F397 HydrophobicContact CB-CB 4.32Å; I320-F397 PolarHBondContact N-O 3.41Å; I320-F397 WeakPolarHBondContact O-CB 3.39Å; I320-F397 WeakPolarHBondContact O-CD2 3.43Å; I320-F397 PolarHBondContact O-N 3.49Å; V356-F397 HydrophobicContact CB-CD1 3.69Å; V356-F397 HydrophobicContact CB-CE1 3.78Å; V356-F397 HydrophobicContact CG1-CD1 3.79Å; V356-F397 HydrophobicContact CG1-CE1 3.86Å; V356-F397 HydrophobicContact CG2-CD1 4.37Å; V356-F397 HydrophobicContact CG2-CE1 3.96Å; V356-F397 WeakPolarHBondContact O-CA 3.41Å; L380-F397 HydrophobicContact CD1-CB 4.07Å; L380-F397 HydrophobicContact CD1-CD1 3.65Å; L380-F397 HydrophobicContact CD1-CD2 4.17Å; L380-F397 HydrophobicContact CD1-CE1 4.18Å; L380-F397 HydrophobicContact CD1-CG 3.66Å; L380-F397 HydrophobicContact CD2-CD1 4.11Å; L380-F397 HydrophobicContact CD2-CD2 3.81Å; L380-F397 HydrophobicContact CD2-CE1 3.9Å; L380-F397 HydrophobicContact CD2-CE2 3.58Å; L380-F397 HydrophobicContact CD2-CG 4.09Å; L380-F397 HydrophobicContact CD2-CZ 3.64Å; L391-F397 HydrophobicContact CB-CE2 4.05Å; L391-F397 HydrophobicContact CB-CZ 3.91Å; L391-F397 HydrophobicContact CD2-CZ 3.9Å; L391-F397 HydrophobicContact CG-CZ 4.41Å; Y395-F397 HydrophobicContact CD2-CZ 4.4Å; Y395-F397 HydrophobicContact CG-CZ 4.33Å; F397-L399 HydrophobicContact CB-CD2 4.12Å; F397-L399 HydrophobicContact CB-CG 4.31Å; F397-M1264 HydrophobicContact CD1-SD 4.14Å; F397-M1264 HydrophobicContact CE1-SD 3.66Å |
| 398 | K | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 5% | 0.053 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 104 | 178.9 | -66.6 | -71.6 | -178.8 | 169 | 0 | 108.5 | L317 L318 T319 E331 V355 V356 L357 V358 V396 Y447 | L317-K398 HydrophobicContact CD1-CB 4.16Å; L317-K398 HydrophobicContact CD1-CD 4.37Å; L318-K398 WeakPolarHBondContact O-CA 3.32Å; T319-K398 HydrophobicContact CG2-CD 4.17Å; T319-K398 WeakPolarHBondContact OG1-CD 3.5Å; T319-K398 WeakPolarHBondContact OG1-CE 3.33Å; T319-K398 PolarHBondContact OG1-NZ 2.89Å; E331-K398 VanDerWaalsContact CD-NZ 3.26Å; E331-K398 WeakPolarHBondContact OE1-CE 3.18Å; E331-K398 IonicContact OE1-NZ 3.22Å; E331-K398 PolarHBondContact OE1-NZ 3.22Å; E331-K398 IonicContact OE2-NZ 2.86Å; E331-K398 PolarHBondContact OE2-NZ 3.02Å; E331-K398 VanDerWaalsContact OE2-NZ 3.16Å; V355-K398 HydrophobicContact CG1-CB 4.26Å; V355-K398 HydrophobicContact CG1-CG 3.73Å; V356-K398 PolarHBondContact O-N 3.26Å; L357-K398 WeakPolarHBondContact CA-O 3.39Å; L357-K398 HydrophobicContact CD2-CB 3.74Å; L357-K398 HydrophobicContact CG-CB 3.95Å; V358-K398 PolarHBondContact N-O 3.3Å; V396-K398 HydrophobicContact CG1-CD 4.49Å; V396-K398 HydrophobicContact CG1-CG 4.45Å; K398-Y447 HydrophobicContact CB-CE2 4.35Å; K398-Y447 HydrophobicContact CD-CE2 3.87Å; K398-Y447 WeakPolarHBondContact CD-OH 3.15Å; K398-Y447 VanDerWaalsContact CE-CZ 3.46Å; K398-Y447 WeakPolarHBondContact CE-OH 3.03Å; K398-Y447 HydrophobicContact CG-CD2 4.35Å; K398-Y447 HydrophobicContact CG-CE2 3.68Å; K398-Y447 PolarHBondContact NZ-OH 2.87Å |
| 399 | L | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 7% | 0.069 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 125.4 | -165 | -45.7 | 175.9 | 0 | 0 | 0 | 110.8 | L318 I320 V358 F373 L376 L377 L380 F397 | L318-L399 HydrophobicContact CB-CB 4.19Å; L318-L399 PolarHBondContact N-O 3.36Å; L318-L399 PolarHBondContact O-N 3.2Å; I320-L399 HydrophobicContact CD1-CD1 3.88Å; V358-L399 HydrophobicContact CB-CD2 3.67Å; V358-L399 HydrophobicContact CG2-CD2 3.57Å; V358-L399 WeakPolarHBondContact O-CA 3.27Å; F373-L399 HydrophobicContact CE2-CB 3.75Å; F373-L399 HydrophobicContact CZ-CB 3.59Å; F373-L399 HydrophobicContact CZ-CD1 4.45Å; L376-L399 HydrophobicContact CD1-CD1 4.14Å; L376-L399 HydrophobicContact CD1-CD2 4.01Å; L377-L399 HydrophobicContact CD1-CD1 4.1Å; L380-L399 HydrophobicContact CD1-CD1 4.29Å; F397-L399 HydrophobicContact CB-CD2 4.12Å; F397-L399 HydrophobicContact CB-CG 4.31Å |
| 400 | I | 98.8 | Very high | 97.6 | Very high | 3 Ų | 3 | 16 Ų | 16 | 2% | 0.015 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 101.6 | 175.2 | -56.8 | 173.9 | 0 | 0 | 0 | 108.6 | L306 I315 L317 V358 S359 A360 M402 L403 T440 L443 | L306-I400 HydrophobicContact CD2-CD1 3.75Å; L306-I400 HydrophobicContact CD2-CG1 4.33Å; I315-I400 HydrophobicContact CG2-CG2 3.98Å; L317-I400 HydrophobicContact CD1-CG1 4.1Å; V358-I400 PolarHBondContact O-N 3.15Å; S359-I400 WeakPolarHBondContact CA-O 3.17Å; A360-I400 PolarHBondContact N-O 2.96Å; A360-I400 VanDerWaalsContact N-O 3.12Å; I400-M402 VanDerWaalsContact C-N 3.31Å; I400-M402 PolarHBondContact O-N 3.01Å; I400-L403 HydrophobicContact CD1-CD2 4.48Å; I400-L403 HydrophobicContact CG2-CD2 3.76Å; I400-L403 HydrophobicContact CG2-CG 4.21Å; I400-T440 HydrophobicContact CD1-CG2 4.22Å; I400-L443 HydrophobicContact CD1-CD2 4.31Å |
| 401 | P | 98.6 | Very high | 97.7 | Very high | 5 Ų | 5 | 14.7 Ų | 14.7 | 3% | 0.032 | 7% | 0.067 | C | C | . | . | S | Bend | trans | -66.1 | -27.1 | -171.2 | -20 | 29.9 | 0 | 0 | 0 | 115.3 | M189 L193 E316 L318 F373 | M189-P401 HydrophobicContact CG-CB 4.02Å; M189-P401 HydrophobicContact SD-CB 4.17Å; L193-P401 HydrophobicContact CD1-CG 4.27Å; E316-P401 WeakPolarHBondContact O-CD 3.2Å; L318-P401 HydrophobicContact CD1-CG 4.38Å; F373-P401 HydrophobicContact CD1-CB 4.25Å; F373-P401 HydrophobicContact CE1-CB 3.64Å; F373-P401 HydrophobicContact CE1-CG 3.72Å; F373-P401 HydrophobicContact CE2-CB 4.39Å; F373-P401 HydrophobicContact CE2-CG 4.48Å; F373-P401 VanDerWaalsContact CZ-CA 3.48Å; F373-P401 HydrophobicContact CZ-CB 3.73Å; F373-P401 HydrophobicContact CZ-CG 3.55Å |
| 402 | M | 98.6 | Very high | 97.7 | Very high | 5 Ų | 5 | 15.3 Ų | 15.3 | 3% | 0.025 | 7% | 0.07 | C | C | . | . | trans | -157.3 | 107.7 | -173.2 | -169.6 | 172.8 | -70 | 0 | 0 | 111.7 | Y186 M189 A360 R361 I400 P405 V408 | Y186-M402 HydrophobicContact CD2-SD 4.12Å; M189-M402 HydrophobicContact CB-CE 4.35Å; M189-M402 HydrophobicContact CE-CB 3.79Å; M189-M402 HydrophobicContact CE-CE 4.08Å; M189-M402 HydrophobicContact CE-CG 4.39Å; M189-M402 HydrophobicContact CE-SD 3.79Å; A360-M402 WeakPolarHBondContact O-CA 3.29Å; R361-M402 HydrophobicContact CB-CG 4.01Å; I400-M402 VanDerWaalsContact C-N 3.31Å; I400-M402 PolarHBondContact O-N 3.01Å; M402-P405 HydrophobicContact CG-CB 4.24Å; M402-P405 HydrophobicContact SD-CB 3.94Å; M402-V408 HydrophobicContact CE-CB 4.5Å; M402-V408 HydrophobicContact CE-CG1 4.04Å; M402-V408 HydrophobicContact CE-CG2 4.22Å; M402-V408 HydrophobicContact CG-CG2 4.35Å; M402-V408 HydrophobicContact SD-CB 3.91Å; M402-V408 HydrophobicContact SD-CG1 3.98Å; M402-V408 HydrophobicContact SD-CG2 3.83Å | ||
| 403 | L | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 7% | 0.07 | C | C | . | . | S | Bend | trans | -78.9 | -24.7 | 178.5 | -76.1 | 174.8 | 0 | 0 | 0 | 114.3 | A360 V362 I400 P405 Y426 S436 I437 T440 | A360-L403 PolarHBondContact O-N 3.45Å; V362-L403 HydrophobicContact CB-CB 3.97Å; V362-L403 HydrophobicContact CB-CD1 3.89Å; V362-L403 HydrophobicContact CG2-CB 4.41Å; V362-L403 HydrophobicContact CG2-CD1 4.39Å; I400-L403 HydrophobicContact CD1-CD2 4.48Å; I400-L403 HydrophobicContact CG2-CD2 3.76Å; I400-L403 HydrophobicContact CG2-CG 4.21Å; L403-P405 VanDerWaalsContact C-CD 3.48Å; L403-Y426 WeakPolarHBondContact CD1-OH 3.03Å; L403-S436 VanDerWaalsContact O-CB 3.25Å; L403-S436 WeakPolarHBondContact O-CB 3.41Å; L403-S436 PolarHBondContact O-OG 3.17Å; L403-I437 HydrophobicContact CD1-CD1 4.28Å; L403-T440 WeakPolarHBondContact CD2-OG1 3.32Å |
| 404 | N | 98.3 | Very high | 97.7 | Very high | 4 Ų | 4 | 12.8 Ų | 12.8 | 2% | 0.021 | 6% | 0.059 | C | C | . | . | trans | -126.7 | 64.6 | -178.4 | -169.5 | -4.6 | 0 | 0 | 0 | 112.2 | R361 V362 P364 D406 G407 V408 T415 D416 L422 | R361-N404 WeakPolarHBondContact O-CB 3.44Å; R361-N404 PolarHBondContact O-N 3.24Å; R361-N404 VanDerWaalsContact O-N 3.09Å; V362-N404 WeakPolarHBondContact O-CB 3.2Å; V362-N404 PolarHBondContact O-ND2 3.42Å; P364-N404 WeakPolarHBondContact CD-ND2 3.42Å; P364-N404 HydrophobicContact CG-CB 4.37Å; P364-N404 WeakPolarHBondContact CG-ND2 3.34Å; N404-D406 PolarHBondContact O-N 3.44Å; N404-G407 PolarHBondContact OD1-N 3.31Å; N404-V408 WeakPolarHBondContact O-CG2 3.46Å; N404-V408 PolarHBondContact O-N 3.04Å; N404-V408 VanDerWaalsContact O-N 3.16Å; N404-T415 VanDerWaalsContact ND2-C 3.31Å; N404-T415 PolarHBondContact ND2-O 3.27Å; N404-T415 VanDerWaalsContact ND2-O 3.15Å; N404-D416 PolarHBondContact ND2-N 2.99Å; N404-L422 HydrophobicContact CB-CD1 4.02Å | ||
| 405 | P | 98.3 | Very high | 97.7 | Very high | 1 Ų | 1 | 10.4 Ų | 10.4 | 1% | 0.006 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -65.2 | -23.6 | 179.6 | 31.2 | -38.7 | 0 | 0 | 0 | 113 | Y186 R313 I315 M402 L403 F409 | Y186-P405 HydrophobicContact CD2-CB 3.35Å; Y186-P405 HydrophobicContact CE2-CB 3.7Å; Y186-P405 HydrophobicContact CG-CB 4.23Å; R313-P405 HydrophobicContact CB-CB 4.14Å; R313-P405 HydrophobicContact CB-CG 4.02Å; I315-P405 HydrophobicContact CD1-CG 3.55Å; M402-P405 HydrophobicContact CG-CB 4.24Å; M402-P405 HydrophobicContact SD-CB 3.94Å; L403-P405 VanDerWaalsContact C-CD 3.48Å; P405-F409 VanDerWaalsContact O-CB 3.32Å; P405-F409 WeakPolarHBondContact O-CB 3.46Å; P405-F409 PolarHBondContact O-N 3.15Å |
| 406 | D | 97.5 | Very high | 97.6 | Very high | 6 Ų | 6 | 10 Ų | 10 | 3% | 0.032 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -72.5 | -50.4 | -178.7 | -60.1 | -16.2 | 0 | 0 | 0 | 110.8 | S309 L310 E311 R313 N404 V408 F409 H410 T417 | S309-D406 WeakPolarHBondContact CB-OD1 3.44Å; S309-D406 WeakPolarHBondContact CB-OD2 3.34Å; S309-D406 PolarHBondContact OG-OD1 3.18Å; S309-D406 PolarHBondContact OG-OD2 2.79Å; L310-D406 PolarHBondContact N-OD2 3.39Å; E311-D406 HydrophobicContact CG-CB 4.41Å; E311-D406 PolarHBondContact N-OD2 2.91Å; R313-D406 IonicContact CZ-OD1 3.74Å; R313-D406 VanDerWaalsContact NH1-CG 3.34Å; R313-D406 IonicContact NH1-OD1 3.11Å; R313-D406 PolarHBondContact NH1-OD1 3.06Å; N404-D406 PolarHBondContact O-N 3.44Å; D406-V408 VanDerWaalsContact C-N 3.28Å; D406-V408 PolarHBondContact O-N 3.33Å; D406-F409 PolarHBondContact O-N 3.33Å; D406-H410 PolarHBondContact O-CD2 3.36Å; D406-H410 PolarHBondContact O-N 2.69Å; D406-H410 VanDerWaalsContact O-N 3.13Å; D406-T417 HydrophobicContact CB-CG2 3.93Å |
| 407 | G | 97.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -63.3 | -34 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | P364 N404 G411 H412 | P364-G407 VanDerWaalsContact CG-C 3.45Å; N404-G407 PolarHBondContact OD1-N 3.31Å; G407-G411 PolarHBondContact O-N 3.32Å; G407-H412 WeakPolarHBondContact O-CB 3.33Å; G407-H412 PolarHBondContact O-N 3.01Å |
| 408 | V | 98.4 | Very high | 97.1 | Very high | 1 Ų | 1 | 13.2 Ų | 13.2 | 1% | 0.006 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -62.1 | -53.4 | 172.4 | 171.5 | 0 | 0 | 0 | 0 | 110.3 | S16 P364 M402 N404 D406 H410 G411 | S16-V408 WeakPolarHBondContact CA-O 3.38Å; S16-V408 WeakPolarHBondContact CB-O 3.36Å; S16-V408 PolarHBondContact N-O 3.47Å; S16-V408 WeakPolarHBondContact OG-CG1 3.36Å; S16-V408 PolarHBondContact OG-O 3.2Å; P364-V408 HydrophobicContact CB-CG2 3.88Å; P364-V408 HydrophobicContact CG-CG2 4.46Å; M402-V408 HydrophobicContact CE-CB 4.5Å; M402-V408 HydrophobicContact CE-CG1 4.04Å; M402-V408 HydrophobicContact CE-CG2 4.22Å; M402-V408 HydrophobicContact CG-CG2 4.35Å; M402-V408 HydrophobicContact SD-CB 3.91Å; M402-V408 HydrophobicContact SD-CG1 3.98Å; M402-V408 HydrophobicContact SD-CG2 3.83Å; N404-V408 WeakPolarHBondContact O-CG2 3.46Å; N404-V408 PolarHBondContact O-N 3.04Å; N404-V408 VanDerWaalsContact O-N 3.16Å; D406-V408 VanDerWaalsContact C-N 3.28Å; D406-V408 PolarHBondContact O-N 3.33Å; V408-H410 VanDerWaalsContact C-N 3.29Å; V408-H410 PolarHBondContact O-N 2.79Å; V408-G411 PolarHBondContact O-N 2.94Å |
| 409 | F | 97.3 | Very high | 96.9 | Very high | 73 Ų | 73 | 14.4 Ų | 14.4 | 32% | 0.32 | 7% | 0.074 | S | C | . | . | H | α-helix | trans | -56.6 | -40.6 | -177.7 | -175.7 | -85.3 | 0 | 0 | 0 | 113.2 | D15 S16 R313 P405 D406 G411 | D15-F409 HydrophobicContact CB-CD2 4.39Å; S16-F409 PolarHBondContact N-O 3.42Å; R313-F409 VanDerWaalsContact NE-CB 3.32Å; R313-F409 VanDerWaalsContact NE-CG 3.3Å; P405-F409 VanDerWaalsContact O-CB 3.32Å; P405-F409 WeakPolarHBondContact O-CB 3.46Å; P405-F409 PolarHBondContact O-N 3.15Å; D406-F409 PolarHBondContact O-N 3.33Å; F409-G411 VanDerWaalsContact C-N 3.28Å; F409-G411 PolarHBondContact O-N 3.38Å |
| 410 | H | 95.7 | Very high | 96.6 | Very high | 74 Ų | 74 | 16 Ų | 16 | 34% | 0.343 | 8% | 0.083 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -0.7 | 177.8 | -69.1 | -69.3 | 0 | 0 | 0 | 114.7 | E311 D406 V408 H412 T417 | E311-H410 IonicContact OE1-CD2 3.98Å; E311-H410 IonicContact OE1-CE1 2.75Å; E311-H410 IonicContact OE1-NE2 2.71Å; E311-H410 PolarHBondContact OE1-NE2 3.2Å; E311-H410 IonicContact OE2-CD2 3.84Å; E311-H410 IonicContact OE2-CE1 3.34Å; E311-H410 IonicContact OE2-NE2 2.79Å; E311-H410 PolarHBondContact OE2-NE2 3.14Å; D406-H410 PolarHBondContact O-CD2 3.36Å; D406-H410 PolarHBondContact O-N 2.69Å; D406-H410 VanDerWaalsContact O-N 3.13Å; V408-H410 VanDerWaalsContact C-N 3.29Å; V408-H410 PolarHBondContact O-N 2.79Å; H410-H412 VanDerWaalsContact C-N 3.35Å; H410-T417 VanDerWaalsContact CD2-CG2 3.45Å; H410-T417 WeakPolarHBondContact CD2-CG2 3.46Å |
| 411 | G | 96.7 | Very high | 96.4 | Very high | 2 Ų | 2 | 17.3 Ų | 17.3 | 2% | 0.021 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.9 | 34.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | S16 N18 G407 V408 F409 | S16-G411 WeakPolarHBondContact O-CA 3.4Å; N18-G411 VanDerWaalsContact CB-O 3.32Å; N18-G411 WeakPolarHBondContact CB-O 3.41Å; N18-G411 PolarHBondContact ND2-O 3.18Å; G407-G411 PolarHBondContact O-N 3.32Å; V408-G411 PolarHBondContact O-N 2.94Å; F409-G411 VanDerWaalsContact C-N 3.28Å; F409-G411 PolarHBondContact O-N 3.38Å |
| 412 | H | 97.6 | Very high | 96.3 | Very high | 14 Ų | 14 | 17.2 Ų | 17.2 | 7% | 0.065 | 9% | 0.09 | C | C | . | . | trans | -68.5 | 167.4 | 168.1 | -65.8 | -176.4 | 0 | 0 | 0 | 110.6 | D83 C84 P364 G407 H410 T415 D416 | D83-H412 HydrophobicContact CB-CB 4.2Å; D83-H412 VanDerWaalsContact OD1-CA 3.3Å; D83-H412 WeakPolarHBondContact OD1-CA 3.29Å; D83-H412 WeakPolarHBondContact OD1-CB 3.47Å; C84-H412 PolarHBondContact N-CE1 2.72Å; C84-H412 VanDerWaalsContact N-CE1 3.32Å; C84-H412 PolarHBondContact N-NE2 2.79Å; C84-H412 PolarHBondContact SG-CE1 3.35Å; P364-H412 HydrophobicContact CB-CB 4.19Å; P364-H412 VanDerWaalsContact CB-O 3.31Å; P364-H412 WeakPolarHBondContact CB-O 3.34Å; P364-H412 HydrophobicContact CG-CB 4.12Å; G407-H412 WeakPolarHBondContact O-CB 3.33Å; G407-H412 PolarHBondContact O-N 3.01Å; H410-H412 VanDerWaalsContact C-N 3.35Å; H412-T415 PolarHBondContact ND1-O 2.96Å; H412-D416 PolarHBondContact CE1-O 3.1Å; H412-D416 PolarHBondContact ND1-O 2.89Å | ||
| 413 | Y | 96.3 | Very high | 96.2 | Very high | 2 Ų | 2 | 17.2 Ų | 17.2 | 1% | 0.008 | 9% | 0.09 | C | C | . | . | S | Bend | trans | -101.2 | -41.9 | 173.2 | 177.6 | -118.1 | 0 | 0 | 0 | 111.9 | D83 T95 W96 G365 | D83-Y413 PolarHBondContact OD1-N 3.13Å; D83-Y413 PolarHBondContact OD2-N 2.8Å; T95-Y413 HydrophobicContact CG2-CD2 3.95Å; T95-Y413 HydrophobicContact CG2-CE1 4.4Å; T95-Y413 HydrophobicContact CG2-CE2 3.61Å; W96-Y413 HydrophobicContact CB-CD2 4.21Å; G365-Y413 PolarHBondContact N-O 3.36Å |
| 414 | R | 95.3 | Very high | 96 | Very high | 9 Ų | 9 | 18.5 Ų | 18.5 | 3% | 0.034 | 9% | 0.094 | C | C | . | . | S | Bend | trans | -136.5 | -30.3 | -157.6 | -169.5 | 65.2 | -167 | 75.6 | -13.8 | 115.7 | D83 N93 H363 N421 | D83-R414 WeakPolarHBondContact OD2-CA 3.37Å; D83-R414 WeakPolarHBondContact OD2-CB 3.48Å; D83-R414 PolarHBondContact OD2-N 3.41Å; N93-R414 HydrophobicContact CB-CB 4.24Å; N93-R414 WeakPolarHBondContact ND2-CB 3.49Å; H363-R414 PolarHBondContact CD2-NH1 3.04Å; H363-R414 PolarHBondContact CE1-NH2 2.95Å; H363-R414 PolarHBondContact NE2-NH1 2.97Å; H363-R414 PolarHBondContact NE2-NH2 3.49Å; R414-N421 VanDerWaalsContact CZ-ND2 3.33Å; R414-N421 PolarHBondContact NH1-ND2 3.42Å; R414-N421 PolarHBondContact NH1-OD1 3.44Å; R414-N421 PolarHBondContact NH2-ND2 2.95Å; R414-N421 PolarHBondContact NH2-OD1 2.97Å |
| 415 | T | 96 | Very high | 95.8 | Very high | 4 Ų | 4 | 19.4 Ų | 19.4 | 3% | 0.025 | 10% | 0.1 | C | C | . | . | trans | -116.8 | 166.9 | -172.4 | 65.6 | 0 | 0 | 0 | 0 | 113.9 | D83 N91 N404 H412 G419 V420 | D83-T415 PolarHBondContact OD2-N 3.22Å; D83-T415 PolarHBondContact OD2-OG1 3.05Å; N91-T415 PolarHBondContact ND2-OG1 3.26Å; N404-T415 VanDerWaalsContact ND2-C 3.31Å; N404-T415 PolarHBondContact ND2-O 3.27Å; N404-T415 VanDerWaalsContact ND2-O 3.15Å; H412-T415 PolarHBondContact ND1-O 2.96Å; T415-G419 WeakPolarHBondContact CG2-O 3.46Å; T415-V420 VanDerWaalsContact CA-O 3.3Å; T415-V420 WeakPolarHBondContact CA-O 3.16Å; T415-V420 VanDerWaalsContact CB-O 3.3Å; T415-V420 WeakPolarHBondContact CB-O 3.35Å | ||
| 416 | D | 95.7 | Very high | 95.7 | Very high | 6 Ų | 6 | 19.4 Ų | 19.4 | 3% | 0.032 | 10% | 0.1 | C | C | . | . | trans | -67.9 | -167.7 | 160.3 | 70.7 | 7.1 | 0 | 0 | 0 | 111.4 | C84 N404 H412 R418 G419 V420 L422 | C84-D416 PolarHBondContact SG-O 3.46Å; N404-D416 PolarHBondContact ND2-N 2.99Å; H412-D416 PolarHBondContact CE1-O 3.1Å; H412-D416 PolarHBondContact ND1-O 2.89Å; D416-R418 VanDerWaalsContact C-N 3.32Å; D416-R418 WeakPolarHBondContact OD1-CA 3.48Å; D416-R418 PolarHBondContact OD1-N 2.81Å; D416-G419 PolarHBondContact O-N 2.98Å; D416-G419 PolarHBondContact OD1-N 2.71Å; D416-G419 VanDerWaalsContact OD1-N 3.14Å; D416-V420 PolarHBondContact N-O 2.91Å; D416-V420 PolarHBondContact OD1-N 2.9Å; D416-L422 HydrophobicContact CB-CD1 4.15Å; D416-L422 HydrophobicContact CB-CD2 4.37Å; D416-L422 HydrophobicContact CB-CG 4.14Å | ||
| 417 | T | 94.2 | Very high | 95.5 | Very high | 19 Ų | 19 | 22.6 Ų | 22.6 | 12% | 0.117 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -5.2 | 179.2 | 51.2 | 0 | 0 | 0 | 0 | 114.5 | Y89 E311 D406 H410 | Y89-T417 WeakPolarHBondContact CD2-O 3.2Å; E311-T417 WeakPolarHBondContact OE1-CG2 3.32Å; D406-T417 HydrophobicContact CB-CG2 3.93Å; H410-T417 VanDerWaalsContact CD2-CG2 3.45Å; H410-T417 WeakPolarHBondContact CD2-CG2 3.46Å |
| 418 | R | 92.9 | Very high | 95.2 | Very high | 50 Ų | 50 | 27.8 Ų | 27.8 | 19% | 0.189 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | 10.7 | 171 | -67 | -179.7 | 61.1 | 114.1 | 11.9 | 112.5 | Y89 L310 D416 V420 Y433 S1005 | Y89-R418 VanDerWaalsContact CB-C 3.41Å; Y89-R418 WeakPolarHBondContact CD1-O 3.36Å; Y89-R418 HydrophobicContact CE2-CG 4.4Å; Y89-R418 HydrophobicContact CG-CB 4.5Å; L310-R418 HydrophobicContact CD2-CG 3.62Å; D416-R418 VanDerWaalsContact C-N 3.32Å; D416-R418 WeakPolarHBondContact OD1-CA 3.48Å; D416-R418 PolarHBondContact OD1-N 2.81Å; R418-V420 HydrophobicContact CB-CG2 4.06Å; R418-V420 PolarHBondContact O-N 3.24Å; R418-Y433 VanDerWaalsContact NH1-CD1 3.29Å; R418-S1005 PolarHBondContact NH1-O 3.37Å; R418-S1005 PolarHBondContact NH1-OG 3.13Å |
| 419 | G | 93.3 | Very high | 95 | Very high | 25 Ų | 25 | 27.7 Ų | 27.7 | 26% | 0.258 | 14% | 0.139 | S | C | . | . | S | Bend | trans | 68.9 | 15.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | C84 T415 D416 | C84-G419 PolarHBondContact SG-N 2.79Å; C84-G419 VanDerWaalsContact SG-N 3.36Å; T415-G419 WeakPolarHBondContact CG2-O 3.46Å; D416-G419 PolarHBondContact O-N 2.98Å; D416-G419 PolarHBondContact OD1-N 2.71Å; D416-G419 VanDerWaalsContact OD1-N 3.14Å |
| 420 | V | 93.1 | Very high | 94.8 | Very high | 32 Ų | 32 | 25.5 Ų | 25.5 | 19% | 0.194 | 13% | 0.13 | C | C | . | . | trans | -92 | 134.1 | -177.6 | -176.3 | 0 | 0 | 0 | 0 | 111.1 | T415 D416 R418 L422 V425 Y434 | T415-V420 VanDerWaalsContact CA-O 3.3Å; T415-V420 WeakPolarHBondContact CA-O 3.16Å; T415-V420 VanDerWaalsContact CB-O 3.3Å; T415-V420 WeakPolarHBondContact CB-O 3.35Å; D416-V420 PolarHBondContact N-O 2.91Å; D416-V420 PolarHBondContact OD1-N 2.9Å; R418-V420 HydrophobicContact CB-CG2 4.06Å; R418-V420 PolarHBondContact O-N 3.24Å; V420-L422 PolarHBondContact O-N 2.86Å; V420-V425 HydrophobicContact CG1-CG1 4.02Å; V420-Y434 HydrophobicContact CB-CE1 4.03Å; V420-Y434 HydrophobicContact CG1-CD1 4.38Å; V420-Y434 HydrophobicContact CG1-CE1 3.65Å; V420-Y434 HydrophobicContact CG2-CE1 4.01Å | ||
| 421 | N | 94.7 | Very high | 94.8 | Very high | 31 Ų | 31 | 22 Ų | 22 | 17% | 0.166 | 11% | 0.114 | C | C | . | . | trans | -77.8 | 97.5 | 168.4 | 179.2 | -5.6 | 0 | 0 | 0 | 109.5 | R414 N423 R424 | R414-N421 VanDerWaalsContact CZ-ND2 3.33Å; R414-N421 PolarHBondContact NH1-ND2 3.42Å; R414-N421 PolarHBondContact NH1-OD1 3.44Å; R414-N421 PolarHBondContact NH2-ND2 2.95Å; R414-N421 PolarHBondContact NH2-OD1 2.97Å; N421-N423 PolarHBondContact O-N 2.92Å; N421-N423 PolarHBondContact OD1-N 2.97Å; N421-R424 HydrophobicContact CB-CG 4.18Å; N421-R424 VanDerWaalsContact ND2-CG 3.28Å; N421-R424 WeakPolarHBondContact ND2-CG 3.35Å; N421-R424 PolarHBondContact O-N 2.91Å | ||
| 422 | L | 96.9 | Very high | 94.6 | Very high | 4 Ų | 4 | 22.4 Ų | 22.4 | 2% | 0.021 | 12% | 0.116 | C | C | . | . | G | 310 helix | trans | -60.1 | -25.5 | -178.2 | -67.4 | -177.3 | 0 | 0 | 0 | 113.6 | V362 N404 D416 V420 R424 V425 Y434 I437 | V362-L422 HydrophobicContact CG2-CB 3.55Å; N404-L422 HydrophobicContact CB-CD1 4.02Å; D416-L422 HydrophobicContact CB-CD1 4.15Å; D416-L422 HydrophobicContact CB-CD2 4.37Å; D416-L422 HydrophobicContact CB-CG 4.14Å; V420-L422 PolarHBondContact O-N 2.86Å; L422-R424 PolarHBondContact O-N 2.93Å; L422-R424 VanDerWaalsContact O-N 3.09Å; L422-V425 HydrophobicContact CD2-CG2 4.49Å; L422-V425 WeakPolarHBondContact O-CG2 3.29Å; L422-V425 PolarHBondContact O-N 2.82Å; L422-Y434 HydrophobicContact CD2-CD1 3.68Å; L422-Y434 HydrophobicContact CD2-CG 4.27Å; L422-I437 HydrophobicContact CB-CD1 4.02Å; L422-I437 HydrophobicContact CB-CG1 3.92Å; L422-I437 HydrophobicContact CD2-CG1 4.2Å; L422-I437 HydrophobicContact CG-CG1 4.44Å |
| 423 | N | 96.3 | Very high | 94.4 | Very high | 5 Ų | 5 | 25 Ų | 25 | 3% | 0.027 | 13% | 0.126 | C | C | . | . | G | 310 helix | trans | -82.8 | 29.3 | 173 | -154 | 2.4 | 0 | 0 | 0 | 113.5 | V362 H363 N421 D1090 H1092 A1156 G1157 | V362-N423 HydrophobicContact CG1-CB 3.97Å; V362-N423 HydrophobicContact CG2-CB 4.05Å; H363-N423 VanDerWaalsContact NE2-CB 3.25Å; H363-N423 WeakPolarHBondContact NE2-CB 3.47Å; N421-N423 PolarHBondContact O-N 2.92Å; N421-N423 PolarHBondContact OD1-N 2.97Å; N423-D1090 PolarHBondContact ND2-OD2 3.03Å; N423-H1092 PolarHBondContact ND2-NE2 3.28Å; N423-A1156 VanDerWaalsContact O-CA 3.26Å; N423-A1156 WeakPolarHBondContact O-CA 3.22Å; N423-A1156 WeakPolarHBondContact O-CB 3.32Å; N423-A1156 WeakPolarHBondContact OD1-CA 3.37Å; N423-A1156 VanDerWaalsContact OD1-CB 3.29Å; N423-A1156 WeakPolarHBondContact OD1-CB 3.39Å; N423-G1157 PolarHBondContact OD1-N 2.86Å |
| 424 | R | 94.6 | Very high | 94.3 | Very high | 26 Ų | 26 | 27.1 Ų | 27.1 | 10% | 0.098 | 13% | 0.134 | C | C | . | . | G | 310 helix | trans | -133.4 | 4.7 | 171.1 | -60.9 | -65.5 | -178.8 | -100.6 | 5.2 | 113.5 | N421 L422 E983 D1146 T1152 G1155 | N421-R424 HydrophobicContact CB-CG 4.18Å; N421-R424 VanDerWaalsContact ND2-CG 3.28Å; N421-R424 WeakPolarHBondContact ND2-CG 3.35Å; N421-R424 PolarHBondContact O-N 2.91Å; L422-R424 PolarHBondContact O-N 2.93Å; L422-R424 VanDerWaalsContact O-N 3.09Å; R424-E983 IonicContact CZ-OE2 3Å; R424-E983 IonicContact NH2-OE2 2.74Å; R424-E983 PolarHBondContact NH2-OE2 2.83Å; R424-D1146 WeakPolarHBondContact CD-OD2 3.22Å; R424-D1146 IonicContact CZ-OD1 3.76Å; R424-D1146 IonicContact CZ-OD2 3.14Å; R424-D1146 VanDerWaalsContact NE-CG 3.34Å; R424-D1146 IonicContact NE-OD1 3.53Å; R424-D1146 PolarHBondContact NE-OD1 3.13Å; R424-D1146 VanDerWaalsContact NE-OD1 3.07Å; R424-D1146 IonicContact NE-OD2 3.9Å; R424-D1146 PolarHBondContact NE-OD2 2.87Å; R424-D1146 IonicContact NH2-OD1 2.89Å; R424-D1146 PolarHBondContact NH2-OD1 3.41Å; R424-D1146 IonicContact NH2-OD2 3.66Å; R424-T1152 VanDerWaalsContact CD-O 3.32Å; R424-T1152 WeakPolarHBondContact CD-O 3.49Å; R424-G1155 CarbonylContact C-O 3.6Å; R424-G1155 WeakPolarHBondContact CA-O 3.19Å |
| 425 | V | 93.8 | Very high | 94.4 | Very high | 24 Ų | 24 | 26.9 Ų | 26.9 | 15% | 0.145 | 13% | 0.134 | C | C | . | . | trans | -114.4 | 6.3 | -175.4 | -55.8 | 0 | 0 | 0 | 0 | 114.9 | V420 L422 L427 K428 Y434 I437 G1155 | V420-V425 HydrophobicContact CG1-CG1 4.02Å; L422-V425 HydrophobicContact CD2-CG2 4.49Å; L422-V425 WeakPolarHBondContact O-CG2 3.29Å; L422-V425 PolarHBondContact O-N 2.82Å; V425-L427 PolarHBondContact O-N 3.12Å; V425-K428 CarbonylContact O-C 3.42Å; V425-K428 PolarHBondContact O-N 2.68Å; V425-Y434 HydrophobicContact CB-CD2 3.87Å; V425-Y434 HydrophobicContact CB-CE2 4.04Å; V425-Y434 HydrophobicContact CB-CG 4.37Å; V425-Y434 HydrophobicContact CG1-CD2 4.15Å; V425-Y434 HydrophobicContact CG1-CE2 3.86Å; V425-Y434 HydrophobicContact CG2-CD1 4.29Å; V425-Y434 HydrophobicContact CG2-CD2 3.7Å; V425-Y434 HydrophobicContact CG2-CE2 4.28Å; V425-Y434 HydrophobicContact CG2-CG 3.72Å; V425-I437 HydrophobicContact CG2-CB 4.26Å; V425-I437 HydrophobicContact CG2-CG1 4.2Å; V425-I437 HydrophobicContact CG2-CG2 4.07Å; V425-G1155 PolarHBondContact N-O 2.92Å | ||
| 426 | Y | 95.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -19.9 | -178 | -81.6 | -100.3 | 0 | 0 | 0 | 114.7 | L403 K428 I437 T440 K441 Y1088 G1155 G1157 | L403-Y426 WeakPolarHBondContact CD1-OH 3.03Å; Y426-K428 PolarHBondContact O-N 3.45Å; Y426-I437 HydrophobicContact CD1-CG2 3.73Å; Y426-I437 HydrophobicContact CD2-CG2 3.63Å; Y426-I437 HydrophobicContact CE1-CG2 3.91Å; Y426-I437 HydrophobicContact CE2-CD1 3.84Å; Y426-I437 HydrophobicContact CE2-CG2 3.79Å; Y426-I437 HydrophobicContact CG-CG2 3.6Å; Y426-T440 HydrophobicContact CE1-CG2 4.18Å; Y426-K441 WeakPolarHBondContact O-CD 3.49Å; Y426-K441 WeakPolarHBondContact O-CE 3.46Å; Y426-K441 PolarHBondContact O-NZ 3.3Å; Y426-Y1088 PolarHBondContact OH-OH 2.87Å; Y426-G1155 PolarHBondContact N-O 3.28Å; Y426-G1155 VanDerWaalsContact N-O 3.12Å; Y426-G1157 VanDerWaalsContact CD2-N 3.33Å; Y426-G1157 VanDerWaalsContact CG-CA 3.46Å |
| 427 | L | 92.5 | Very high | 94.5 | Very high | 74 Ų | 74 | 26.7 Ų | 26.7 | 39% | 0.387 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -46.4 | 177.8 | -72.7 | 168.2 | 0 | 0 | 0 | 111.5 | V425 K441 E1154 A1160 | V425-L427 PolarHBondContact O-N 3.12Å; L427-K441 PolarHBondContact O-NZ 2.91Å; L427-E1154 HydrophobicContact CD1-CG 4.25Å; L427-E1154 HydrophobicContact CD2-CG 4.4Å; L427-A1160 HydrophobicContact CD2-CB 4.01Å; L427-A1160 HydrophobicContact CG-CB 4.25Å |
| 428 | K | 91.7 | Very high | 94.7 | Very high | 108 Ų | 108 | 25.8 Ų | 25.8 | 47% | 0.47 | 13% | 0.127 | S | C | . | . | S | Bend | trans | -150.4 | 77.6 | 178.8 | -168.8 | 174 | -176.3 | 171.3 | 0 | 110.6 | V425 Y426 K1065 D1067 | V425-K428 CarbonylContact O-C 3.42Å; V425-K428 PolarHBondContact O-N 2.68Å; Y426-K428 PolarHBondContact O-N 3.45Å; K428-K1065 WeakPolarHBondContact CE-O 3.28Å; K428-D1067 VanDerWaalsContact CE-OD1 3.24Å; K428-D1067 WeakPolarHBondContact CE-OD1 3.38Å; K428-D1067 IonicContact NZ-OD1 3.91Å; K428-D1067 PolarHBondContact NZ-OD1 2.65Å; K428-D1067 IonicContact NZ-OD2 2.72Å |
| 429 | P | 94.8 | Very high | 95 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.118 | C | C | . | . | trans | -73.9 | 133 | 179.8 | 29.9 | -33.8 | 0 | 0 | 0 | 110.7 | I437 K441 A1066 | P429-I437 HydrophobicContact CB-CB 4.28Å; P429-I437 HydrophobicContact CB-CG2 4.07Å; P429-I437 HydrophobicContact CG-CG2 4.49Å; P429-K441 HydrophobicContact CG-CB 4.48Å; P429-K441 HydrophobicContact CG-CD 4.18Å; P429-A1066 HydrophobicContact CG-CB 4.43Å; P429-A1066 WeakPolarHBondContact O-CB 3.4Å | ||
| 430 | D | 93.4 | Very high | 95.2 | Very high | 26 Ų | 26 | 22.3 Ų | 22.3 | 14% | 0.139 | 11% | 0.106 | C | C | . | . | trans | -94 | 123.3 | 172.4 | -176.9 | -31.5 | 0 | 0 | 0 | 108.9 | L432 Y433 Y434 R1064 | D430-L432 PolarHBondContact O-N 3.46Å; D430-L432 VanDerWaalsContact O-N 3.13Å; D430-L432 WeakPolarHBondContact OD1-CB 3.47Å; D430-L432 PolarHBondContact OD1-N 3.44Å; D430-Y433 HydrophobicContact CB-CD2 3.9Å; D430-Y433 PolarHBondContact O-N 3Å; D430-Y434 PolarHBondContact O-N 3.47Å; D430-R1064 WeakPolarHBondContact CA-O 3.5Å; D430-R1064 VanDerWaalsContact OD1-CG 3.25Å; D430-R1064 WeakPolarHBondContact OD1-CG 3.45Å; D430-R1064 IonicContact OD1-CZ 3.8Å; D430-R1064 IonicContact OD1-NE 3.57Å; D430-R1064 PolarHBondContact OD1-NE 3.19Å; D430-R1064 IonicContact OD1-NH2 3.51Å; D430-R1064 IonicContact OD2-CZ 3.07Å; D430-R1064 IonicContact OD2-NE 3.39Å; D430-R1064 PolarHBondContact OD2-NE 3.1Å; D430-R1064 IonicContact OD2-NH2 2.83Å; D430-R1064 PolarHBondContact OD2-NH2 3.23Å | ||
| 431 | Y | 95.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -24.2 | -178.9 | -176.2 | -95.9 | 0 | 0 | 0 | 113.7 | C307 L337 L338 Y433 P435 Y438 N1007 Y1009 Y1010 R1064 | C307-Y431 HydrophobicContact CB-CE2 4.38Å; L337-Y431 HydrophobicContact CB-CD1 4.26Å; L337-Y431 HydrophobicContact CB-CD2 4.14Å; L337-Y431 HydrophobicContact CB-CE1 4.03Å; L337-Y431 HydrophobicContact CB-CE2 3.88Å; L337-Y431 HydrophobicContact CB-CG 4.31Å; L337-Y431 HydrophobicContact CD1-CD1 3.87Å; L337-Y431 HydrophobicContact CD1-CD2 4.35Å; L337-Y431 HydrophobicContact CD1-CE1 4.42Å; L337-Y431 HydrophobicContact CD1-CG 3.82Å; L337-Y431 HydrophobicContact CD2-CD1 4.26Å; L337-Y431 HydrophobicContact CD2-CE1 4.15Å; L337-Y431 HydrophobicContact CG-CD1 4.37Å; L337-Y431 HydrophobicContact CG-CE1 4.44Å; L337-Y431 VanDerWaalsContact O-CZ 3.25Å; L337-Y431 PolarHBondContact O-OH 2.99Å; L338-Y431 HydrophobicContact CD2-CE2 4.14Å; Y431-Y433 VanDerWaalsContact C-N 3.26Å; Y431-Y433 PolarHBondContact O-N 3.18Å; Y431-P435 HydrophobicContact CD2-CB 4.06Å; Y431-P435 HydrophobicContact CE2-CB 3.96Å; Y431-Y438 AromaticContact CD2-CD1 3.47Å; Y431-Y438 HydrophobicContact CD2-CD1 3.47Å; Y431-Y438 VanDerWaalsContact CD2-CD1 3.47Å; Y431-Y438 HydrophobicContact CD2-CE1 4.02Å; Y431-Y438 AromaticContact CD2-CG 3.83Å; Y431-Y438 HydrophobicContact CD2-CG 3.83Å; Y431-Y438 HydrophobicContact CE2-CD1 4.31Å; Y431-Y438 HydrophobicContact CG-CD1 4.25Å; Y431-Y438 HydrophobicContact CG-CG 4.34Å; Y431-N1007 WeakPolarHBondContact CE1-ND2 3.47Å; Y431-N1007 PolarHBondContact O-ND2 2.87Å; Y431-Y1009 HydrophobicContact CE1-CD1 4.44Å; Y431-Y1009 WeakPolarHBondContact OH-CD1 3.41Å; Y431-Y1009 WeakPolarHBondContact OH-CE1 3.38Å; Y431-Y1010 AromaticContact CD1-CD2 3.78Å; Y431-Y1010 HydrophobicContact CD1-CD2 3.78Å; Y431-Y1010 HydrophobicContact CD1-CG 4.29Å; Y431-Y1010 HydrophobicContact CE1-CD2 4.13Å; Y431-R1064 PolarHBondContact N-O 2.92Å |
| 432 | L | 92.1 | Very high | 95.5 | Very high | 11 Ų | 11 | 19.5 Ų | 19.5 | 6% | 0.058 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -26.6 | 177.4 | -166.5 | 63.5 | 0 | 0 | 0 | 113.1 | D430 I1006 N1007 Y1010 R1064 | D430-L432 PolarHBondContact O-N 3.46Å; D430-L432 VanDerWaalsContact O-N 3.13Å; D430-L432 WeakPolarHBondContact OD1-CB 3.47Å; D430-L432 PolarHBondContact OD1-N 3.44Å; L432-I1006 HydrophobicContact CD1-CG2 3.32Å; L432-I1006 HydrophobicContact CD2-CG2 3.98Å; L432-I1006 HydrophobicContact CG-CG2 3.73Å; L432-N1007 HydrophobicContact CD1-CB 4.23Å; L432-N1007 WeakPolarHBondContact O-CB 3.38Å; L432-N1007 PolarHBondContact O-N 3.08Å; L432-N1007 VanDerWaalsContact O-N 3.1Å; L432-Y1010 HydrophobicContact CD1-CD1 3.36Å; L432-Y1010 HydrophobicContact CD1-CE1 4.03Å; L432-Y1010 HydrophobicContact CD1-CG 3.99Å; L432-R1064 HydrophobicContact CB-CG 4.24Å |
| 433 | Y | 93.3 | Very high | 95.6 | Very high | 70 Ų | 70 | 19.3 Ų | 19.3 | 28% | 0.275 | 9% | 0.089 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -118.7 | -36.4 | -171.7 | -54.6 | -47.5 | 0 | 0 | 0 | 112.6 | R418 D430 Y431 P435 | R418-Y433 VanDerWaalsContact NH1-CD1 3.29Å; D430-Y433 HydrophobicContact CB-CD2 3.9Å; D430-Y433 PolarHBondContact O-N 3Å; Y431-Y433 VanDerWaalsContact C-N 3.26Å; Y431-Y433 PolarHBondContact O-N 3.18Å; Y433-P435 WeakPolarHBondContact O-CD 3.17Å |
| 434 | Y | 94.7 | Very high | 95.6 | Very high | 46 Ų | 46 | 19.1 Ų | 19.1 | 18% | 0.18 | 9% | 0.088 | C | C | . | . | trans | -127.8 | 53.4 | -172.6 | -41.9 | -50.2 | 0 | 0 | 0 | 111.7 | V420 L422 V425 D430 S436 I437 Y438 | V420-Y434 HydrophobicContact CB-CE1 4.03Å; V420-Y434 HydrophobicContact CG1-CD1 4.38Å; V420-Y434 HydrophobicContact CG1-CE1 3.65Å; V420-Y434 HydrophobicContact CG2-CE1 4.01Å; L422-Y434 HydrophobicContact CD2-CD1 3.68Å; L422-Y434 HydrophobicContact CD2-CG 4.27Å; V425-Y434 HydrophobicContact CB-CD2 3.87Å; V425-Y434 HydrophobicContact CB-CE2 4.04Å; V425-Y434 HydrophobicContact CB-CG 4.37Å; V425-Y434 HydrophobicContact CG1-CD2 4.15Å; V425-Y434 HydrophobicContact CG1-CE2 3.86Å; V425-Y434 HydrophobicContact CG2-CD1 4.29Å; V425-Y434 HydrophobicContact CG2-CD2 3.7Å; V425-Y434 HydrophobicContact CG2-CE2 4.28Å; V425-Y434 HydrophobicContact CG2-CG 3.72Å; D430-Y434 PolarHBondContact O-N 3.47Å; Y434-S436 VanDerWaalsContact C-N 3.32Å; Y434-S436 PolarHBondContact O-N 2.96Å; Y434-I437 PolarHBondContact O-N 3.39Å; Y434-I437 VanDerWaalsContact O-N 3.08Å; Y434-Y438 PolarHBondContact O-N 3.03Å | ||
| 435 | P | 96.6 | Very high | 95.7 | Very high | 4 Ų | 4 | 17.9 Ų | 17.9 | 3% | 0.026 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -58.2 | -38.3 | -168.7 | 22.2 | -33.6 | 0 | 0 | 0 | 113.7 | Y308 Y431 Y433 I437 Y438 A439 | Y308-P435 WeakPolarHBondContact O-CB 3.35Å; Y308-P435 WeakPolarHBondContact O-CG 3.37Å; Y431-P435 HydrophobicContact CD2-CB 4.06Å; Y431-P435 HydrophobicContact CE2-CB 3.96Å; Y433-P435 WeakPolarHBondContact O-CD 3.17Å; P435-I437 PolarHBondContact O-N 2.9Å; P435-Y438 PolarHBondContact O-N 2.86Å; P435-A439 WeakPolarHBondContact O-CB 3.21Å; P435-A439 PolarHBondContact O-N 2.35Å |
| 436 | S | 97.7 | Very high | 95.8 | Very high | 6 Ų | 6 | 16.8 Ų | 16.8 | 4% | 0.042 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -67.1 | -35.7 | 178.3 | 57.7 | 0 | 0 | 0 | 0 | 113.3 | L403 Y434 T440 | L403-S436 VanDerWaalsContact O-CB 3.25Å; L403-S436 WeakPolarHBondContact O-CB 3.41Å; L403-S436 PolarHBondContact O-OG 3.17Å; Y434-S436 VanDerWaalsContact C-N 3.32Å; Y434-S436 PolarHBondContact O-N 2.96Å; S436-T440 WeakPolarHBondContact O-CB 3.24Å; S436-T440 PolarHBondContact O-N 3.34Å; S436-T440 PolarHBondContact O-OG1 3.39Å |
| 437 | I | 98 | Very high | 95.9 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -77.3 | -37.9 | 178.5 | -51.8 | -54.1 | 0 | 0 | 0 | 111 | V362 L403 L422 V425 Y426 P429 Y434 P435 K441 | V362-I437 HydrophobicContact CG2-CD1 4.06Å; L403-I437 HydrophobicContact CD1-CD1 4.28Å; L422-I437 HydrophobicContact CB-CD1 4.02Å; L422-I437 HydrophobicContact CB-CG1 3.92Å; L422-I437 HydrophobicContact CD2-CG1 4.2Å; L422-I437 HydrophobicContact CG-CG1 4.44Å; V425-I437 HydrophobicContact CG2-CB 4.26Å; V425-I437 HydrophobicContact CG2-CG1 4.2Å; V425-I437 HydrophobicContact CG2-CG2 4.07Å; Y426-I437 HydrophobicContact CD1-CG2 3.73Å; Y426-I437 HydrophobicContact CD2-CG2 3.63Å; Y426-I437 HydrophobicContact CE1-CG2 3.91Å; Y426-I437 HydrophobicContact CE2-CD1 3.84Å; Y426-I437 HydrophobicContact CE2-CG2 3.79Å; Y426-I437 HydrophobicContact CG-CG2 3.6Å; P429-I437 HydrophobicContact CB-CB 4.28Å; P429-I437 HydrophobicContact CB-CG2 4.07Å; P429-I437 HydrophobicContact CG-CG2 4.49Å; Y434-I437 PolarHBondContact O-N 3.39Å; Y434-I437 VanDerWaalsContact O-N 3.08Å; P435-I437 PolarHBondContact O-N 2.9Å; I437-K441 WeakPolarHBondContact O-CB 3.37Å; I437-K441 PolarHBondContact O-N 2.8Å |
| 438 | Y | 97.8 | Very high | 96 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -55.8 | -55.1 | 168.1 | 177.9 | -81.7 | 0 | 0 | 0 | 110.6 | D335 L337 L338 Y431 Y434 P435 T440 K441 A442 L1063 A1066 L1069 | D335-Y438 WeakPolarHBondContact OD2-CE1 3.45Å; D335-Y438 PolarHBondContact OD2-OH 2.74Å; L337-Y438 HydrophobicContact CD1-CE1 4.46Å; L338-Y438 HydrophobicContact CD2-CD1 4.38Å; Y431-Y438 AromaticContact CD2-CD1 3.47Å; Y431-Y438 HydrophobicContact CD2-CD1 3.47Å; Y431-Y438 VanDerWaalsContact CD2-CD1 3.47Å; Y431-Y438 HydrophobicContact CD2-CE1 4.02Å; Y431-Y438 AromaticContact CD2-CG 3.83Å; Y431-Y438 HydrophobicContact CD2-CG 3.83Å; Y431-Y438 HydrophobicContact CE2-CD1 4.31Å; Y431-Y438 HydrophobicContact CG-CD1 4.25Å; Y431-Y438 HydrophobicContact CG-CG 4.34Å; Y434-Y438 PolarHBondContact O-N 3.03Å; P435-Y438 PolarHBondContact O-N 2.86Å; Y438-T440 VanDerWaalsContact C-N 3.33Å; Y438-T440 PolarHBondContact O-N 3.32Å; Y438-K441 PolarHBondContact O-N 2.77Å; Y438-K441 VanDerWaalsContact O-N 3.15Å; Y438-A442 HydrophobicContact CE1-CB 4.29Å; Y438-A442 WeakPolarHBondContact O-CB 3.43Å; Y438-A442 PolarHBondContact O-N 2.89Å; Y438-L1063 WeakPolarHBondContact CE2-O 3.43Å; Y438-L1063 PolarHBondContact OH-O 2.73Å; Y438-A1066 HydrophobicContact CD2-CB 3.88Å; Y438-A1066 HydrophobicContact CE2-CB 3.77Å; Y438-L1069 HydrophobicContact CD2-CD1 4.35Å; Y438-L1069 HydrophobicContact CE2-CD1 4.1Å |
| 439 | A | 98.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 8.1 Ų | 8.1 | 0% | 0 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -61.5 | -40.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L306 C307 L338 P435 A442 L443 | L306-A439 HydrophobicContact CD1-CB 4.01Å; L306-A439 HydrophobicContact CD2-CB 3.83Å; L306-A439 HydrophobicContact CG-CB 3.71Å; C307-A439 HydrophobicContact CB-CB 4.27Å; L338-A439 HydrophobicContact CD1-CB 4.39Å; L338-A439 HydrophobicContact CD2-CB 3.41Å; L338-A439 VanDerWaalsContact CD2-CB 3.41Å; P435-A439 WeakPolarHBondContact O-CB 3.21Å; P435-A439 PolarHBondContact O-N 2.35Å; A439-A442 PolarHBondContact O-N 3.08Å; A439-L443 WeakPolarHBondContact O-CB 3.31Å; A439-L443 PolarHBondContact O-N 3.42Å |
| 440 | T | 98.2 | Very high | 96 | Very high | 1 Ų | 1 | 10.8 Ų | 10.8 | 1% | 0.006 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -61 | -47.2 | 174.7 | -58.3 | 0 | 0 | 0 | 0 | 111.3 | I400 L403 Y426 S436 Y438 L443 I444 | I400-T440 HydrophobicContact CD1-CG2 4.22Å; L403-T440 WeakPolarHBondContact CD2-OG1 3.32Å; Y426-T440 HydrophobicContact CE1-CG2 4.18Å; S436-T440 WeakPolarHBondContact O-CB 3.24Å; S436-T440 PolarHBondContact O-N 3.34Å; S436-T440 PolarHBondContact O-OG1 3.39Å; Y438-T440 VanDerWaalsContact C-N 3.33Å; Y438-T440 PolarHBondContact O-N 3.32Å; T440-L443 PolarHBondContact O-N 3.4Å; T440-I444 HydrophobicContact CG2-CD1 3.83Å; T440-I444 WeakPolarHBondContact O-CD1 3.39Å; T440-I444 WeakPolarHBondContact O-CG1 3.41Å; T440-I444 PolarHBondContact O-N 3.37Å; T440-I444 VanDerWaalsContact O-N 3.08Å |
| 441 | K | 97.5 | Very high | 96 | Very high | 5 Ų | 5 | 10.1 Ų | 10.1 | 2% | 0.022 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -64.2 | -46.1 | 179.1 | -167.2 | 177.7 | -166.9 | -175.5 | 0 | 111.7 | Y426 L427 P429 I437 Y438 L443 I444 T445 L1069 L1161 | Y426-K441 WeakPolarHBondContact O-CD 3.49Å; Y426-K441 WeakPolarHBondContact O-CE 3.46Å; Y426-K441 PolarHBondContact O-NZ 3.3Å; L427-K441 PolarHBondContact O-NZ 2.91Å; P429-K441 HydrophobicContact CG-CB 4.48Å; P429-K441 HydrophobicContact CG-CD 4.18Å; I437-K441 WeakPolarHBondContact O-CB 3.37Å; I437-K441 PolarHBondContact O-N 2.8Å; Y438-K441 PolarHBondContact O-N 2.77Å; Y438-K441 VanDerWaalsContact O-N 3.15Å; K441-L443 VanDerWaalsContact C-N 3.35Å; K441-L443 PolarHBondContact O-N 3.44Å; K441-I444 PolarHBondContact O-N 1.83Å; K441-T445 PolarHBondContact O-N 3.16Å; K441-T445 PolarHBondContact O-OG1 2.83Å; K441-L1069 HydrophobicContact CB-CD1 4.31Å; K441-L1069 HydrophobicContact CD-CB 3.99Å; K441-L1069 HydrophobicContact CD-CD1 4.46Å; K441-L1069 WeakPolarHBondContact CE-O 3.18Å; K441-L1069 HydrophobicContact CG-CB 4.37Å; K441-L1069 HydrophobicContact CG-CD1 4.37Å; K441-L1069 PolarHBondContact NZ-O 3.11Å; K441-L1161 HydrophobicContact CG-CD2 4.19Å |
| 442 | A | 97.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -55.9 | -47.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | F334 L338 Y438 A439 T445 Y446 Y457 L1069 | F334-A442 HydrophobicContact CE2-CB 4.24Å; L338-A442 HydrophobicContact CD1-CB 3.89Å; Y438-A442 HydrophobicContact CE1-CB 4.29Å; Y438-A442 WeakPolarHBondContact O-CB 3.43Å; Y438-A442 PolarHBondContact O-N 2.89Å; A439-A442 PolarHBondContact O-N 3.08Å; A442-T445 PolarHBondContact O-N 3.3Å; A442-Y446 WeakPolarHBondContact O-CB 3.3Å; A442-Y446 PolarHBondContact O-N 3.32Å; A442-Y457 HydrophobicContact CB-CE2 3.98Å; A442-Y457 WeakPolarHBondContact CB-OH 3.44Å; A442-L1069 HydrophobicContact CB-CD1 3.98Å |
| 443 | L | 97.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -60.8 | -45.8 | 178.5 | -172.3 | 72.5 | 0 | 0 | 0 | 112.3 | L317 F334 F339 L357 I400 A439 T440 K441 Y446 Y447 | L317-L443 HydrophobicContact CD1-CD2 3.88Å; L317-L443 HydrophobicContact CD2-CD1 3.92Å; L317-L443 HydrophobicContact CD2-CD2 3.8Å; F334-L443 HydrophobicContact CZ-CD1 4.49Å; F339-L443 HydrophobicContact CZ-CD1 4.15Å; L357-L443 HydrophobicContact CD2-CD2 3.96Å; L357-L443 HydrophobicContact CD2-CG 4.38Å; I400-L443 HydrophobicContact CD1-CD2 4.31Å; A439-L443 WeakPolarHBondContact O-CB 3.31Å; A439-L443 PolarHBondContact O-N 3.42Å; T440-L443 PolarHBondContact O-N 3.4Å; K441-L443 VanDerWaalsContact C-N 3.35Å; K441-L443 PolarHBondContact O-N 3.44Å; L443-Y446 PolarHBondContact O-N 2.97Å; L443-Y447 HydrophobicContact CD1-CD2 4.26Å; L443-Y447 HydrophobicContact CD1-CE2 3.4Å; L443-Y447 HydrophobicContact CD2-CE2 4.16Å; L443-Y447 HydrophobicContact CG-CD2 4Å; L443-Y447 HydrophobicContact CG-CE2 3.47Å; L443-Y447 VanDerWaalsContact CG-CE2 3.47Å; L443-Y447 WeakPolarHBondContact O-CD2 3.4Å; L443-Y447 PolarHBondContact O-N 2.81Å; L443-Y447 VanDerWaalsContact O-N 3.1Å |
| 444 | I | 97.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -66.7 | -41.7 | 179 | -59.8 | 165.6 | 0 | 0 | 0 | 110.3 | L357 T440 K441 Y447 H448 Y1088 L1161 L1165 L1167 | L357-I444 HydrophobicContact CD1-CG1 4Å; L357-I444 HydrophobicContact CD1-CG2 4.38Å; L357-I444 HydrophobicContact CD2-CG1 3.9Å; L357-I444 HydrophobicContact CG-CG1 4.36Å; T440-I444 HydrophobicContact CG2-CD1 3.83Å; T440-I444 WeakPolarHBondContact O-CD1 3.39Å; T440-I444 WeakPolarHBondContact O-CG1 3.41Å; T440-I444 PolarHBondContact O-N 3.37Å; T440-I444 VanDerWaalsContact O-N 3.08Å; K441-I444 PolarHBondContact O-N 1.83Å; I444-Y447 PolarHBondContact O-N 2.97Å; I444-H448 WeakPolarHBondContact O-CB 3.43Å; I444-H448 PolarHBondContact O-N 3.5Å; I444-Y1088 HydrophobicContact CD1-CD2 3.58Å; I444-Y1088 HydrophobicContact CD1-CE2 3.49Å; I444-Y1088 VanDerWaalsContact CD1-CE2 3.49Å; I444-Y1088 HydrophobicContact CG1-CD2 4.5Å; I444-L1161 HydrophobicContact CB-CD2 4.43Å; I444-L1161 HydrophobicContact CD1-CD1 3.5Å; I444-L1161 VanDerWaalsContact CD1-CD1 3.5Å; I444-L1161 HydrophobicContact CD1-CD2 3.91Å; I444-L1161 HydrophobicContact CD1-CG 4.37Å; I444-L1161 HydrophobicContact CG2-CD2 4.37Å; I444-L1165 HydrophobicContact CB-CD1 4.43Å; I444-L1165 HydrophobicContact CG2-CD1 3.51Å; I444-L1167 HydrophobicContact CG2-CD1 4.22Å |
| 445 | T | 96.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -62.2 | -42.6 | 176 | -62.8 | 0 | 0 | 0 | 0 | 112.1 | K441 A442 H448 T449 L1069 Y1074 | K441-T445 PolarHBondContact O-N 3.16Å; K441-T445 PolarHBondContact O-OG1 2.83Å; A442-T445 PolarHBondContact O-N 3.3Å; T445-H448 PolarHBondContact O-N 3.44Å; T445-T449 PolarHBondContact O-N 3.38Å; T445-T449 PolarHBondContact O-OG1 3.16Å; T445-L1069 HydrophobicContact CG2-CD2 4.3Å; T445-Y1074 HydrophobicContact CG2-CD1 3.89Å; T445-Y1074 HydrophobicContact CG2-CD2 4.29Å; T445-Y1074 HydrophobicContact CG2-CE1 3.42Å; T445-Y1074 VanDerWaalsContact CG2-CE1 3.42Å; T445-Y1074 HydrophobicContact CG2-CE2 3.86Å; T445-Y1074 HydrophobicContact CG2-CG 4.29Å |
| 446 | Y | 96.2 | Very high | 94.9 | Very high | 2 Ų | 2 | 17.6 Ų | 17.6 | 1% | 0.008 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -60.9 | -44.6 | 176.3 | 170.7 | -109.4 | 0 | 0 | 0 | 112.9 | D332 F334 A442 L443 Y451 G452 | D332-Y446 HydrophobicContact CB-CE2 4.39Å; D332-Y446 PolarHBondContact N-OH 2.89Å; D332-Y446 PolarHBondContact OD2-OH 3.46Å; F334-Y446 HydrophobicContact CB-CD2 3.79Å; F334-Y446 HydrophobicContact CB-CE2 3.84Å; F334-Y446 AromaticContact CD1-CD1 3.55Å; F334-Y446 HydrophobicContact CD1-CD1 3.55Å; F334-Y446 AromaticContact CD1-CD2 3.43Å; F334-Y446 HydrophobicContact CD1-CD2 3.43Å; F334-Y446 VanDerWaalsContact CD1-CD2 3.43Å; F334-Y446 AromaticContact CD1-CE1 3.72Å; F334-Y446 HydrophobicContact CD1-CE1 3.72Å; F334-Y446 AromaticContact CD1-CE2 3.62Å; F334-Y446 HydrophobicContact CD1-CE2 3.62Å; F334-Y446 AromaticContact CD1-CG 3.39Å; F334-Y446 HydrophobicContact CD1-CG 3.39Å; F334-Y446 AromaticContact CD1-CZ 3.76Å; F334-Y446 HydrophobicContact CD2-CD2 4.1Å; F334-Y446 HydrophobicContact CD2-CG 4.16Å; F334-Y446 AromaticContact CE1-CD1 3.39Å; F334-Y446 HydrophobicContact CE1-CD1 3.39Å; F334-Y446 HydrophobicContact CE1-CD2 4.03Å; F334-Y446 AromaticContact CE1-CE1 3.89Å; F334-Y446 HydrophobicContact CE1-CE1 3.89Å; F334-Y446 HydrophobicContact CE1-CE2 4.46Å; F334-Y446 AromaticContact CE1-CG 3.46Å; F334-Y446 HydrophobicContact CE1-CG 3.46Å; F334-Y446 VanDerWaalsContact CE1-CG 3.46Å; F334-Y446 HydrophobicContact CE2-CG 4.21Å; F334-Y446 HydrophobicContact CG-CD1 4.39Å; F334-Y446 AromaticContact CG-CD2 3.49Å; F334-Y446 HydrophobicContact CG-CD2 3.49Å; F334-Y446 VanDerWaalsContact CG-CD2 3.49Å; F334-Y446 AromaticContact CG-CE2 3.88Å; F334-Y446 HydrophobicContact CG-CE2 3.88Å; F334-Y446 AromaticContact CG-CG 3.77Å; F334-Y446 HydrophobicContact CG-CG 3.77Å; F334-Y446 HydrophobicContact CZ-CD1 4.13Å; F334-Y446 AromaticContact CZ-CG 3.89Å; F334-Y446 HydrophobicContact CZ-CG 3.89Å; A442-Y446 WeakPolarHBondContact O-CB 3.3Å; A442-Y446 PolarHBondContact O-N 3.32Å; L443-Y446 PolarHBondContact O-N 2.97Å; Y446-Y451 AromaticContact CE1-CD1 3.66Å; Y446-Y451 HydrophobicContact CE1-CD1 3.66Å; Y446-Y451 HydrophobicContact CE1-CG 4.44Å; Y446-Y451 VanDerWaalsContact CE2-O 3.28Å; Y446-Y451 WeakPolarHBondContact CE2-O 3.49Å; Y446-Y451 AromaticContact CZ-CD1 3.81Å; Y446-Y451 WeakPolarHBondContact O-CA 3.33Å; Y446-Y451 PolarHBondContact O-N 2.58Å; Y446-G452 PolarHBondContact O-N 3.31Å |
| 447 | Y | 96.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -71.5 | -38.4 | 175.3 | -64.4 | -47.2 | 0 | 0 | 0 | 112 | E331 V355 L357 K398 L443 I444 T449 N450 Y451 N1084 | E331-Y447 WeakPolarHBondContact OE2-CE1 3.16Å; E331-Y447 PolarHBondContact OE2-OH 3.17Å; V355-Y447 HydrophobicContact CG1-CD2 4.1Å; V355-Y447 HydrophobicContact CG1-CG 4.27Å; V355-Y447 HydrophobicContact CG2-CD1 4.34Å; V355-Y447 HydrophobicContact CG2-CG 4.2Å; L357-Y447 HydrophobicContact CD1-CD2 4.2Å; L357-Y447 HydrophobicContact CD2-CD2 4.38Å; K398-Y447 HydrophobicContact CB-CE2 4.35Å; K398-Y447 HydrophobicContact CD-CE2 3.87Å; K398-Y447 WeakPolarHBondContact CD-OH 3.15Å; K398-Y447 VanDerWaalsContact CE-CZ 3.46Å; K398-Y447 WeakPolarHBondContact CE-OH 3.03Å; K398-Y447 HydrophobicContact CG-CD2 4.35Å; K398-Y447 HydrophobicContact CG-CE2 3.68Å; K398-Y447 PolarHBondContact NZ-OH 2.87Å; L443-Y447 HydrophobicContact CD1-CD2 4.26Å; L443-Y447 HydrophobicContact CD1-CE2 3.4Å; L443-Y447 HydrophobicContact CD2-CE2 4.16Å; L443-Y447 HydrophobicContact CG-CD2 4Å; L443-Y447 HydrophobicContact CG-CE2 3.47Å; L443-Y447 VanDerWaalsContact CG-CE2 3.47Å; L443-Y447 WeakPolarHBondContact O-CD2 3.4Å; L443-Y447 PolarHBondContact O-N 2.81Å; L443-Y447 VanDerWaalsContact O-N 3.1Å; I444-Y447 PolarHBondContact O-N 2.97Å; Y447-T449 VanDerWaalsContact C-N 3.26Å; Y447-T449 PolarHBondContact O-N 2.92Å; Y447-N450 WeakPolarHBondContact O-CA 3.29Å; Y447-N450 PolarHBondContact O-N 2.67Å; Y447-Y451 HydrophobicContact CD1-CD1 4Å; Y447-Y451 AromaticContact CD1-CE1 3.85Å; Y447-Y451 HydrophobicContact CD1-CE1 3.85Å; Y447-Y451 AromaticContact CE1-CD1 3.96Å; Y447-Y451 HydrophobicContact CE1-CD1 3.96Å; Y447-Y451 AromaticContact CE1-CE1 3.66Å; Y447-Y451 HydrophobicContact CE1-CE1 3.66Å; Y447-N1084 VanDerWaalsContact O-CB 3.24Å; Y447-N1084 WeakPolarHBondContact O-CB 3.29Å |
| 448 | H | 95.5 | Very high | 94 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -54.2 | -40.9 | 178.7 | 176.9 | 79.6 | 0 | 0 | 0 | 112.3 | I444 T445 N450 Y1074 F1077 D1078 S1083 N1084 V1085 L1165 | I444-H448 WeakPolarHBondContact O-CB 3.43Å; I444-H448 PolarHBondContact O-N 3.5Å; T445-H448 PolarHBondContact O-N 3.44Å; H448-N450 VanDerWaalsContact C-N 3.26Å; H448-N450 PolarHBondContact O-N 2.66Å; H448-Y1074 PolarHBondContact NE2-O 3.34Å; H448-F1077 WeakPolarHBondContact NE2-CB 3.46Å; H448-F1077 AromaticContact NE2-CD2 3.32Å; H448-F1077 VanDerWaalsContact NE2-CD2 3.32Å; H448-F1077 WeakPolarHBondContact NE2-CD2 3.46Å; H448-F1077 AromaticContact NE2-CG 3.87Å; H448-D1078 VanDerWaalsContact CE1-CB 3.42Å; H448-D1078 WeakPolarHBondContact CE1-CB 3Å; H448-D1078 PolarHBondContact CE1-N 2.93Å; H448-D1078 VanDerWaalsContact CE1-N 3.34Å; H448-S1083 VanDerWaalsContact CE1-CB 3.48Å; H448-S1083 WeakPolarHBondContact CE1-CB 3.37Å; H448-S1083 WeakPolarHBondContact ND1-CB 3.35Å; H448-S1083 PolarHBondContact ND1-OG 3.45Å; H448-S1083 WeakPolarHBondContact O-CA 3.16Å; H448-N1084 PolarHBondContact O-N 2.74Å; H448-V1085 HydrophobicContact CB-CG2 4.34Å; H448-L1165 HydrophobicContact CB-CD1 4.38Å; H448-L1165 HydrophobicContact CB-CD2 4.45Å; H448-L1165 VanDerWaalsContact CE1-C 3.45Å; H448-L1165 PolarHBondContact CE1-O 2.95Å |
| 449 | T | 93.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | 24.4 | 175.8 | 62.3 | 0 | 0 | 0 | 0 | 114.8 | T445 Y447 G452 T453 L454 K455 Y1074 F1077 | T445-T449 PolarHBondContact O-N 3.38Å; T445-T449 PolarHBondContact O-OG1 3.16Å; Y447-T449 VanDerWaalsContact C-N 3.26Å; Y447-T449 PolarHBondContact O-N 2.92Å; T449-G452 WeakPolarHBondContact OG1-CA 3.4Å; T449-T453 PolarHBondContact O-N 3.44Å; T449-T453 VanDerWaalsContact O-N 3.14Å; T449-L454 WeakPolarHBondContact O-CB 3.31Å; T449-L454 PolarHBondContact O-N 2.92Å; T449-K455 HydrophobicContact CG2-CB 4.14Å; T449-K455 PolarHBondContact OG1-O 2.82Å; T449-Y1074 HydrophobicContact CG2-CD1 3.47Å; T449-Y1074 VanDerWaalsContact CG2-CD1 3.47Å; T449-Y1074 HydrophobicContact CG2-CE1 3.47Å; T449-Y1074 VanDerWaalsContact CG2-CE1 3.47Å; T449-F1077 HydrophobicContact CG2-CD2 3.97Å; T449-F1077 HydrophobicContact CG2-CE2 3.79Å; T449-F1077 HydrophobicContact CG2-CZ 4.44Å |
| 450 | N | 93 | Very high | 92.9 | Very high | 56 Ų | 56 | 24.4 Ų | 24.4 | 30% | 0.299 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.1 | 67.4 | -179.6 | -170.7 | 24.5 | 0 | 0 | 0 | 112.3 | Y447 H448 G452 T453 L454 N1084 | Y447-N450 WeakPolarHBondContact O-CA 3.29Å; Y447-N450 PolarHBondContact O-N 2.67Å; H448-N450 VanDerWaalsContact C-N 3.26Å; H448-N450 PolarHBondContact O-N 2.66Å; N450-G452 VanDerWaalsContact C-N 3.27Å; N450-G452 PolarHBondContact O-N 2.89Å; N450-T453 WeakPolarHBondContact O-CB 3.47Å; N450-T453 PolarHBondContact O-N 2.68Å; N450-T453 PolarHBondContact O-OG1 2.85Å; N450-L454 HydrophobicContact CB-CD1 4.03Å; N450-L454 HydrophobicContact CB-CG 4.08Å; N450-N1084 HydrophobicContact CB-CB 4.2Å |
| 451 | Y | 93.6 | Very high | 92.2 | Very high | 12 Ų | 12 | 24.4 Ų | 24.4 | 5% | 0.047 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.9 | 35 | -178 | -54 | -85.3 | 0 | 0 | 0 | 113.1 | E331 K349 F350 Y446 Y447 T453 | E331-Y451 HydrophobicContact CG-CD1 4.13Å; E331-Y451 HydrophobicContact CG-CE1 3.79Å; K349-Y451 HydrophobicContact CB-CE1 4.33Å; K349-Y451 HydrophobicContact CB-CE2 4.49Å; K349-Y451 HydrophobicContact CD-CD1 4.3Å; K349-Y451 HydrophobicContact CD-CG 4.25Å; K349-Y451 HydrophobicContact CG-CD1 3.91Å; K349-Y451 HydrophobicContact CG-CE1 3.95Å; K349-Y451 HydrophobicContact CG-CG 4.26Å; F350-Y451 PolarHBondContact N-OH 3.27Å; F350-Y451 PolarHBondContact O-OH 2.67Å; Y446-Y451 AromaticContact CE1-CD1 3.66Å; Y446-Y451 HydrophobicContact CE1-CD1 3.66Å; Y446-Y451 HydrophobicContact CE1-CG 4.44Å; Y446-Y451 VanDerWaalsContact CE2-O 3.28Å; Y446-Y451 WeakPolarHBondContact CE2-O 3.49Å; Y446-Y451 AromaticContact CZ-CD1 3.81Å; Y446-Y451 WeakPolarHBondContact O-CA 3.33Å; Y446-Y451 PolarHBondContact O-N 2.58Å; Y447-Y451 HydrophobicContact CD1-CD1 4Å; Y447-Y451 AromaticContact CD1-CE1 3.85Å; Y447-Y451 HydrophobicContact CD1-CE1 3.85Å; Y447-Y451 AromaticContact CE1-CD1 3.96Å; Y447-Y451 HydrophobicContact CE1-CD1 3.96Å; Y447-Y451 AromaticContact CE1-CE1 3.66Å; Y447-Y451 HydrophobicContact CE1-CE1 3.66Å; Y451-T453 PolarHBondContact O-N 3.14Å |
| 452 | G | 91.3 | Very high | 91.4 | Very high | 19 Ų | 19 | 26.4 Ų | 26.4 | 20% | 0.196 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.7 | 2 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y446 T449 N450 K455 S456 | Y446-G452 PolarHBondContact O-N 3.31Å; T449-G452 WeakPolarHBondContact OG1-CA 3.4Å; N450-G452 VanDerWaalsContact C-N 3.27Å; N450-G452 PolarHBondContact O-N 2.89Å; G452-K455 CarbonylContact C-O 3.38Å; G452-K455 WeakPolarHBondContact CA-O 3.44Å; G452-K455 CarbonylContact O-C 3.48Å; G452-S456 PolarHBondContact O-N 2.85Å |
| 453 | T | 89.9 | Confident | 90.3 | Very high | 107 Ų | 107 | 31 Ų | 31 | 66% | 0.656 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | -39 | -172.9 | -46.2 | 0 | 0 | 0 | 0 | 112.7 | T449 N450 Y451 K455 | T449-T453 PolarHBondContact O-N 3.44Å; T449-T453 VanDerWaalsContact O-N 3.14Å; N450-T453 WeakPolarHBondContact O-CB 3.47Å; N450-T453 PolarHBondContact O-N 2.68Å; N450-T453 PolarHBondContact O-OG1 2.85Å; Y451-T453 PolarHBondContact O-N 3.14Å; T453-K455 VanDerWaalsContact C-N 3.33Å |
| 454 | L | 88.5 | Confident | 88.9 | Confident | 77 Ų | 77 | 31.5 Ų | 31.5 | 40% | 0.403 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -74.8 | -26.9 | 179.4 | -64.9 | 173.2 | 0 | 0 | 0 | 112.5 | T449 N450 F1077 D1082 | T449-L454 WeakPolarHBondContact O-CB 3.31Å; T449-L454 PolarHBondContact O-N 2.92Å; N450-L454 HydrophobicContact CB-CD1 4.03Å; N450-L454 HydrophobicContact CB-CG 4.08Å; L454-F1077 HydrophobicContact CB-CD1 4.23Å; L454-F1077 HydrophobicContact CB-CE1 3.84Å; L454-F1077 HydrophobicContact CB-CZ 4.4Å; L454-F1077 HydrophobicContact CD1-CD1 4.09Å; L454-D1082 HydrophobicContact CD1-CB 4.06Å |
| 455 | K | 89.6 | Confident | 87.5 | Confident | 47 Ų | 47 | 34.7 Ų | 34.7 | 20% | 0.204 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -163.8 | 131.4 | 177 | 169.4 | -178.9 | 176.4 | -175.6 | 0 | 108.3 | T449 G452 T453 Y457 D1071 Y1074 F1077 | T449-K455 HydrophobicContact CG2-CB 4.14Å; T449-K455 PolarHBondContact OG1-O 2.82Å; G452-K455 CarbonylContact C-O 3.38Å; G452-K455 WeakPolarHBondContact CA-O 3.44Å; G452-K455 CarbonylContact O-C 3.48Å; T453-K455 VanDerWaalsContact C-N 3.33Å; K455-Y457 PolarHBondContact O-N 2.87Å; K455-D1071 IonicContact NZ-OD1 3.88Å; K455-D1071 PolarHBondContact NZ-OD1 2.8Å; K455-D1071 IonicContact NZ-OD2 2.72Å; K455-D1071 PolarHBondContact NZ-OD2 3.15Å; K455-Y1074 HydrophobicContact CD-CD1 4.07Å; K455-Y1074 HydrophobicContact CD-CE1 3.77Å; K455-Y1074 HydrophobicContact CG-CE1 4.31Å; K455-F1077 HydrophobicContact CB-CE2 4.14Å; K455-F1077 HydrophobicContact CB-CZ 3.72Å; K455-F1077 HydrophobicContact CD-CE2 4.07Å; K455-F1077 HydrophobicContact CD-CZ 4.22Å |
| 456 | S | 88.1 | Confident | 86 | Confident | 37 Ų | 37 | 40 Ų | 40 | 26% | 0.259 | 22% | 0.218 | S | C | . | . | trans | -52.7 | 134.7 | 174.5 | 174.9 | 0 | 0 | 0 | 0 | 111 | G452 A458 D462 Y1074 | G452-S456 PolarHBondContact O-N 2.85Å; S456-A458 PolarHBondContact O-N 3.49Å; S456-A458 PolarHBondContact OG-N 2.89Å; S456-A458 PolarHBondContact OG-O 3.44Å; S456-D462 VanDerWaalsContact CB-OD1 3.24Å; S456-D462 WeakPolarHBondContact CB-OD1 3.49Å; S456-D462 PolarHBondContact OG-OD1 3.36Å; S456-Y1074 PolarHBondContact O-OH 3.48Å | ||
| 457 | Y | 89.3 | Confident | 84 | Confident | 8 Ų | 8 | 44.1 Ų | 44.1 | 3% | 0.031 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -53.6 | -39.2 | 174.8 | 169.3 | -103.3 | 0 | 0 | 0 | 112.7 | F334 D335 A442 K455 L1063 H1068 L1069 Y1074 | F334-Y457 AromaticContact CD2-CD1 3.69Å; F334-Y457 HydrophobicContact CD2-CD1 3.69Å; F334-Y457 AromaticContact CD2-CD2 3.66Å; F334-Y457 HydrophobicContact CD2-CD2 3.66Å; F334-Y457 AromaticContact CD2-CE1 3.8Å; F334-Y457 HydrophobicContact CD2-CE1 3.8Å; F334-Y457 AromaticContact CD2-CE2 3.77Å; F334-Y457 HydrophobicContact CD2-CE2 3.77Å; F334-Y457 AromaticContact CD2-CG 3.62Å; F334-Y457 HydrophobicContact CD2-CG 3.62Å; F334-Y457 AromaticContact CD2-CZ 3.85Å; F334-Y457 HydrophobicContact CE2-CD1 4.47Å; F334-Y457 AromaticContact CE2-CD2 3.89Å; F334-Y457 HydrophobicContact CE2-CD2 3.89Å; F334-Y457 HydrophobicContact CE2-CE1 4.23Å; F334-Y457 AromaticContact CE2-CE2 3.62Å; F334-Y457 HydrophobicContact CE2-CE2 3.62Å; F334-Y457 HydrophobicContact CE2-CG 4.31Å; F334-Y457 AromaticContact CE2-CZ 3.81Å; F334-Y457 HydrophobicContact CG-CG 4.5Å; D335-Y457 HydrophobicContact CB-CE1 3.76Å; D335-Y457 WeakPolarHBondContact OD2-CE1 3.44Å; D335-Y457 PolarHBondContact OD2-OH 3.09Å; A442-Y457 HydrophobicContact CB-CE2 3.98Å; A442-Y457 WeakPolarHBondContact CB-OH 3.44Å; K455-Y457 PolarHBondContact O-N 2.87Å; Y457-L1063 HydrophobicContact CE1-CD2 4.45Å; Y457-H1068 AromaticContact CE1-CD2 3.96Å; Y457-H1068 AromaticContact CE1-NE2 3.62Å; Y457-H1068 AromaticContact CZ-CD2 3.88Å; Y457-H1068 AromaticContact CZ-NE2 3.41Å; Y457-H1068 PolarHBondContact OH-NE2 3.28Å; Y457-H1068 VanDerWaalsContact OH-NE2 3.14Å; Y457-L1069 HydrophobicContact CD2-CD2 4.49Å; Y457-L1069 HydrophobicContact CE2-CD2 3.58Å; Y457-Y1074 PolarHBondContact O-OH 3.35Å |
| 458 | A | 88.9 | Confident | 81.4 | Confident | 4 Ų | 4 | 48.6 Ų | 48.6 | 3% | 0.033 | 26% | 0.257 | C | S | . | . | trans | -155.9 | 99.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | S456 F460 L461 | S456-A458 PolarHBondContact O-N 3.49Å; S456-A458 PolarHBondContact OG-N 2.89Å; S456-A458 PolarHBondContact OG-O 3.44Å; A458-F460 HydrophobicContact CB-CD1 4.15Å; A458-F460 HydrophobicContact CB-CE1 3.75Å; A458-F460 HydrophobicContact CB-CZ 4.11Å; A458-F460 PolarHBondContact O-N 2.77Å; A458-F460 VanDerWaalsContact O-N 3.14Å; A458-L461 HydrophobicContact CB-CB 4.37Å; A458-L461 HydrophobicContact CB-CD1 4.05Å; A458-L461 HydrophobicContact CB-CG 3.88Å; A458-L461 WeakPolarHBondContact O-CA 3.37Å; A458-L461 WeakPolarHBondContact O-CB 3.25Å; A458-L461 PolarHBondContact O-N 2.88Å | ||
| 459 | S | 86.1 | Confident | 78.7 | Confident | 88 Ų | 88 | 54.6 Ų | 54.6 | 62% | 0.615 | 29% | 0.288 | S | S | * | . | G | 310 helix | trans | -56.9 | -32.5 | -175.7 | 52.4 | 0 | 0 | 0 | 0 | 113.7 | L461 D462 | S459-L461 PolarHBondContact O-N 3.44Å; S459-D462 VanDerWaalsContact O-CB 3.31Å; S459-D462 WeakPolarHBondContact O-CB 3.48Å; S459-D462 PolarHBondContact O-N 3.47Å |
| 460 | F | 86.4 | Confident | 75.7 | Confident | 49 Ų | 49 | 61.3 Ų | 61.3 | 22% | 0.215 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -69.6 | -6.4 | 175.2 | 71.5 | -93.2 | 0 | 0 | 0 | 114.3 | A458 Q1059 Q1062 L1063 H1068 | A458-F460 HydrophobicContact CB-CD1 4.15Å; A458-F460 HydrophobicContact CB-CE1 3.75Å; A458-F460 HydrophobicContact CB-CZ 4.11Å; A458-F460 PolarHBondContact O-N 2.77Å; A458-F460 VanDerWaalsContact O-N 3.14Å; F460-Q1059 HydrophobicContact CD2-CB 4.36Å; F460-Q1059 HydrophobicContact CD2-CG 4.19Å; F460-Q1059 HydrophobicContact CE2-CB 4.37Å; F460-Q1059 PolarHBondContact O-NE2 3.25Å; F460-Q1062 HydrophobicContact CE2-CB 4.16Å; F460-Q1062 HydrophobicContact CZ-CB 4.16Å; F460-L1063 HydrophobicContact CE2-CD2 4.16Å; F460-L1063 HydrophobicContact CE2-CG 3.86Å; F460-L1063 HydrophobicContact CZ-CD2 3.7Å; F460-L1063 HydrophobicContact CZ-CG 3.79Å; F460-H1068 HydrophobicContact CE1-CB 4.04Å |
| 461 | L | 84.3 | Confident | 72.9 | Confident | 2 Ų | 2 | 61.8 Ų | 61.8 | 1% | 0.01 | 32% | 0.322 | C | S | . | . | G | 310 helix | trans | -98 | -9.3 | 167.3 | -58.6 | -171.6 | 0 | 0 | 0 | 113.4 | P336 A458 S459 D463 I464 F465 L1063 | P336-L461 HydrophobicContact CG-CD1 4.47Å; A458-L461 HydrophobicContact CB-CB 4.37Å; A458-L461 HydrophobicContact CB-CD1 4.05Å; A458-L461 HydrophobicContact CB-CG 3.88Å; A458-L461 WeakPolarHBondContact O-CA 3.37Å; A458-L461 WeakPolarHBondContact O-CB 3.25Å; A458-L461 PolarHBondContact O-N 2.88Å; S459-L461 PolarHBondContact O-N 3.44Å; L461-D463 VanDerWaalsContact C-N 3.28Å; L461-D463 PolarHBondContact O-N 3.18Å; L461-I464 HydrophobicContact CD2-CD1 3.71Å; L461-I464 VanDerWaalsContact O-CB 3.3Å; L461-I464 WeakPolarHBondContact O-CB 3.36Å; L461-I464 PolarHBondContact O-N 3.04Å; L461-I464 VanDerWaalsContact O-N 3.12Å; L461-F465 HydrophobicContact CB-CD2 3.93Å; L461-F465 HydrophobicContact CB-CE2 3.7Å; L461-F465 HydrophobicContact CD1-CE2 3.88Å; L461-F465 HydrophobicContact CD1-CZ 4.48Å; L461-F465 HydrophobicContact CG-CE2 4.47Å; L461-F465 VanDerWaalsContact O-CD2 3.23Å; L461-F465 WeakPolarHBondContact O-CD2 3.13Å; L461-F465 PolarHBondContact O-N 3.36Å; L461-F465 VanDerWaalsContact O-N 3.15Å; L461-L1063 HydrophobicContact CD1-CD1 4.14Å; L461-L1063 HydrophobicContact CD1-CD2 3.88Å; L461-L1063 HydrophobicContact CD1-CG 4.46Å; L461-L1063 HydrophobicContact CD2-CD1 4Å; L461-L1063 HydrophobicContact CD2-CG 4.36Å; L461-L1063 HydrophobicContact CG-CD2 4.38Å |
| 462 | D | 80.7 | Confident | 69.8 | Low | 47 Ų | 47 | 65.4 Ų | 65.4 | 25% | 0.251 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -60.8 | -39.3 | -172.9 | -72.1 | -14.6 | 0 | 0 | 0 | 111.7 | S456 S459 I464 F465 K466 | S456-D462 VanDerWaalsContact CB-OD1 3.24Å; S456-D462 WeakPolarHBondContact CB-OD1 3.49Å; S456-D462 PolarHBondContact OG-OD1 3.36Å; S459-D462 VanDerWaalsContact O-CB 3.31Å; S459-D462 WeakPolarHBondContact O-CB 3.48Å; S459-D462 PolarHBondContact O-N 3.47Å; D462-I464 VanDerWaalsContact C-N 3.3Å; D462-I464 PolarHBondContact O-N 3.15Å; D462-F465 PolarHBondContact O-N 3.1Å; D462-K466 WeakPolarHBondContact O-CB 3.47Å; D462-K466 WeakPolarHBondContact O-CG 3.42Å; D462-K466 PolarHBondContact O-N 3.11Å |
| 463 | D | 73.9 | Confident | 66.9 | Low | 95 Ų | 95 | 67.3 Ų | 67.3 | 51% | 0.508 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -68.3 | -32.2 | -179.2 | -59.5 | -26.8 | 0 | 0 | 0 | 112.3 | L461 K466 Q467 | L461-D463 VanDerWaalsContact C-N 3.28Å; L461-D463 PolarHBondContact O-N 3.18Å; D463-K466 IonicContact OD1-NZ 3.44Å; D463-K466 PolarHBondContact OD1-NZ 2.73Å; D463-Q467 WeakPolarHBondContact O-CG 3.43Å; D463-Q467 PolarHBondContact O-N 3.11Å |
| 464 | I | 68.2 | Low | 63.8 | Low | 11 Ų | 11 | 65.9 Ų | 65.9 | 6% | 0.056 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62.9 | -45.5 | 171.9 | -71.9 | 159 | 0 | 0 | 0 | 110.7 | L461 D462 L804 P805 Q1059 | L461-I464 HydrophobicContact CD2-CD1 3.71Å; L461-I464 VanDerWaalsContact O-CB 3.3Å; L461-I464 WeakPolarHBondContact O-CB 3.36Å; L461-I464 PolarHBondContact O-N 3.04Å; L461-I464 VanDerWaalsContact O-N 3.12Å; D462-I464 VanDerWaalsContact C-N 3.3Å; D462-I464 PolarHBondContact O-N 3.15Å; I464-L804 HydrophobicContact CB-CD2 4.49Å; I464-L804 HydrophobicContact CD1-CD2 3.41Å; I464-L804 VanDerWaalsContact CD1-CD2 3.41Å; I464-L804 HydrophobicContact CG1-CB 4.48Å; I464-L804 HydrophobicContact CG1-CD2 3.86Å; I464-L804 HydrophobicContact CG2-CB 3.77Å; I464-L804 HydrophobicContact CG2-CD2 3.83Å; I464-L804 HydrophobicContact CG2-CG 4.29Å; I464-P805 VanDerWaalsContact CG2-CD 3.48Å; I464-P805 HydrophobicContact CG2-CG 3.38Å; I464-Q1059 VanDerWaalsContact CD1-NE2 3.33Å |
| 465 | F | 67.3 | Low | 61.1 | Low | 68 Ų | 68 | 70.6 Ų | 70.6 | 30% | 0.298 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -76.7 | -30.2 | -179.5 | -67.3 | -63.6 | 0 | 0 | 0 | 112.6 | L461 D462 K468 P805 | L461-F465 HydrophobicContact CB-CD2 3.93Å; L461-F465 HydrophobicContact CB-CE2 3.7Å; L461-F465 HydrophobicContact CD1-CE2 3.88Å; L461-F465 HydrophobicContact CD1-CZ 4.48Å; L461-F465 HydrophobicContact CG-CE2 4.47Å; L461-F465 VanDerWaalsContact O-CD2 3.23Å; L461-F465 WeakPolarHBondContact O-CD2 3.13Å; L461-F465 PolarHBondContact O-N 3.36Å; L461-F465 VanDerWaalsContact O-N 3.15Å; D462-F465 PolarHBondContact O-N 3.1Å; F465-K468 WeakPolarHBondContact O-CB 3.4Å; F465-K468 PolarHBondContact O-N 3.04Å; F465-P805 HydrophobicContact CD1-CG 3.94Å; F465-P805 HydrophobicContact CE1-CB 4.13Å; F465-P805 HydrophobicContact CE1-CG 3.76Å |
| 466 | K | 65.8 | Low | 58.3 | Low | 112 Ų | 112 | 76.1 Ų | 76.1 | 49% | 0.487 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -68.6 | -38.1 | 173.6 | -74.4 | 168.4 | -166.9 | 158.9 | 0 | 113.2 | D462 D463 K468 L469 F470 | D462-K466 WeakPolarHBondContact O-CB 3.47Å; D462-K466 WeakPolarHBondContact O-CG 3.42Å; D462-K466 PolarHBondContact O-N 3.11Å; D463-K466 IonicContact OD1-NZ 3.44Å; D463-K466 PolarHBondContact OD1-NZ 2.73Å; K466-K468 PolarHBondContact O-N 3.12Å; K466-L469 WeakPolarHBondContact O-CA 3.3Å; K466-L469 VanDerWaalsContact O-CB 3.3Å; K466-L469 WeakPolarHBondContact O-CB 3.45Å; K466-L469 PolarHBondContact O-N 2.92Å; K466-F470 PolarHBondContact O-N 2.97Å |
| 467 | Q | 53 | Low | 55.8 | Low | 88 Ų | 88 | 80.8 Ų | 80.8 | 41% | 0.411 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -56.1 | -40.5 | 175.8 | -79.7 | 176.3 | 26.6 | 0 | 0 | 111.2 | D463 L469 F470 T471 | D463-Q467 WeakPolarHBondContact O-CG 3.43Å; D463-Q467 PolarHBondContact O-N 3.11Å; Q467-L469 VanDerWaalsContact C-N 3.26Å; Q467-L469 PolarHBondContact O-N 3.19Å; Q467-F470 PolarHBondContact O-N 2.95Å; Q467-T471 PolarHBondContact O-N 2.92Å; Q467-T471 PolarHBondContact O-OG1 3.12Å |
| 468 | K | 42.7 | Very low | 53.2 | Low | 94 Ų | 94 | 85.3 Ų | 85.3 | 41% | 0.409 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -58.3 | -35.7 | 173.6 | -173.9 | -173.1 | 175.2 | -169 | 0 | 112.9 | F465 K466 I472 | F465-K468 WeakPolarHBondContact O-CB 3.4Å; F465-K468 PolarHBondContact O-N 3.04Å; K466-K468 PolarHBondContact O-N 3.12Å; K468-I472 HydrophobicContact CG-CD1 4.21Å; K468-I472 WeakPolarHBondContact O-CD1 3.42Å; K468-I472 VanDerWaalsContact O-CG1 3.29Å; K468-I472 WeakPolarHBondContact O-CG1 3.49Å; K468-I472 PolarHBondContact O-N 3.34Å |
| 469 | L | 37.5 | Very low | 50.4 | Low | 125 Ų | 125 | 91.1 Ų | 91.1 | 65% | 0.654 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -66.9 | -52.6 | 178.1 | -145.4 | 79.8 | 0 | 0 | 0 | 110.3 | K466 Q467 T471 I472 T473 | K466-L469 WeakPolarHBondContact O-CA 3.3Å; K466-L469 VanDerWaalsContact O-CB 3.3Å; K466-L469 WeakPolarHBondContact O-CB 3.45Å; K466-L469 PolarHBondContact O-N 2.92Å; Q467-L469 VanDerWaalsContact C-N 3.26Å; Q467-L469 PolarHBondContact O-N 3.19Å; L469-T471 PolarHBondContact O-N 3.4Å; L469-I472 PolarHBondContact O-N 2.82Å; L469-I472 VanDerWaalsContact O-N 3.13Å; L469-T473 PolarHBondContact O-N 3.37Å; L469-T473 PolarHBondContact O-OG1 3.46Å |
| 470 | F | 32.4 | Very low | 47.7 | Very low | 141 Ų | 141 | 89.2 Ų | 89.2 | 62% | 0.618 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -60.7 | -41.6 | 179.8 | -95.8 | -78.6 | 0 | 0 | 0 | 113.8 | K466 Q467 I472 T473 N474 | K466-F470 PolarHBondContact O-N 2.97Å; Q467-F470 PolarHBondContact O-N 2.95Å; F470-I472 PolarHBondContact O-N 3.11Å; F470-T473 PolarHBondContact O-N 3.39Å; F470-N474 WeakPolarHBondContact O-CB 3.49Å; F470-N474 PolarHBondContact O-N 3.49Å; F470-N474 PolarHBondContact O-OD1 3.33Å |
| 471 | T | 32.6 | Very low | 45 | Very low | 66 Ų | 66 | 95.3 Ų | 95.3 | 41% | 0.405 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.8 | -31.2 | 177.5 | -48.1 | 0 | 0 | 0 | 0 | 112 | Q467 L469 | Q467-T471 PolarHBondContact O-N 2.92Å; Q467-T471 PolarHBondContact O-OG1 3.12Å; L469-T471 PolarHBondContact O-N 3.4Å |
| 472 | I | 29 | Very low | 42.3 | Very low | 89 Ų | 89 | 102.4 Ų | 102.4 | 46% | 0.456 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -75.1 | -46.4 | 175.4 | -66 | 168.8 | 0 | 0 | 0 | 110.4 | K468 L469 F470 Y475 F476 | K468-I472 HydrophobicContact CG-CD1 4.21Å; K468-I472 WeakPolarHBondContact O-CD1 3.42Å; K468-I472 VanDerWaalsContact O-CG1 3.29Å; K468-I472 WeakPolarHBondContact O-CG1 3.49Å; K468-I472 PolarHBondContact O-N 3.34Å; L469-I472 PolarHBondContact O-N 2.82Å; L469-I472 VanDerWaalsContact O-N 3.13Å; F470-I472 PolarHBondContact O-N 3.11Å; I472-Y475 PolarHBondContact O-N 3.03Å; I472-F476 HydrophobicContact CG2-CD2 4.43Å; I472-F476 HydrophobicContact CG2-CE2 4.01Å; I472-F476 WeakPolarHBondContact O-CD2 3.21Å |
| 473 | T | 29.7 | Very low | 39.8 | Very low | 59 Ų | 59 | 107.5 Ų | 107.5 | 36% | 0.362 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.1 | -46.8 | -179.3 | -26.1 | 0 | 0 | 0 | 0 | 112.3 | L469 F470 Y475 F476 E477 | L469-T473 PolarHBondContact O-N 3.37Å; L469-T473 PolarHBondContact O-OG1 3.46Å; F470-T473 PolarHBondContact O-N 3.39Å; T473-Y475 PolarHBondContact O-N 3.5Å; T473-F476 PolarHBondContact O-N 3.22Å; T473-E477 PolarHBondContact O-N 3.33Å; T473-E477 VanDerWaalsContact O-N 3.14Å |
| 474 | N | 26.6 | Very low | 37.3 | Very low | 77 Ų | 77 | 108.6 Ų | 108.6 | 41% | 0.412 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -64 | -28.7 | -177.5 | -71.3 | 14.3 | 0 | 0 | 0 | 112.3 | F470 F476 E477 T478 | F470-N474 WeakPolarHBondContact O-CB 3.49Å; F470-N474 PolarHBondContact O-N 3.49Å; F470-N474 PolarHBondContact O-OD1 3.33Å; N474-F476 PolarHBondContact O-N 2.76Å; N474-E477 PolarHBondContact O-N 3.48Å; N474-T478 WeakPolarHBondContact O-CG2 3.45Å; N474-T478 PolarHBondContact O-N 3.21Å; N474-T478 PolarHBondContact O-OG1 3.44Å; N474-T478 VanDerWaalsContact O-OG1 3.09Å |
| 475 | Y | 29.9 | Very low | 35.2 | Very low | 175 Ų | 175 | 114.1 Ų | 114.1 | 69% | 0.686 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -68.1 | -20.7 | 175.8 | -146 | -89.2 | 0 | 0 | 0 | 113.1 | I472 T473 N479 | I472-Y475 PolarHBondContact O-N 3.03Å; T473-Y475 PolarHBondContact O-N 3.5Å; Y475-N479 PolarHBondContact O-ND2 2.91Å; Y475-N479 VanDerWaalsContact O-ND2 3.12Å |
| 476 | F | 32.3 | Very low | 33.1 | Very low | 164 Ų | 164 | 118.6 Ų | 118.6 | 72% | 0.719 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -90.4 | -30.5 | 171.7 | -70 | -70 | 0 | 0 | 0 | 112.9 | I472 T473 N474 | I472-F476 HydrophobicContact CG2-CD2 4.43Å; I472-F476 HydrophobicContact CG2-CE2 4.01Å; I472-F476 WeakPolarHBondContact O-CD2 3.21Å; T473-F476 PolarHBondContact O-N 3.22Å; N474-F476 PolarHBondContact O-N 2.76Å |
| 477 | E | 35.5 | Very low | 31 | Very low | 135 Ų | 135 | 123.4 Ų | 123.4 | 63% | 0.631 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -80.9 | -37.1 | -179.8 | -69.2 | -175.7 | 173 | 0 | 0 | 113.5 | T473 N474 N479 G480 | T473-E477 PolarHBondContact O-N 3.33Å; T473-E477 VanDerWaalsContact O-N 3.14Å; N474-E477 PolarHBondContact O-N 3.48Å; E477-N479 PolarHBondContact O-N 3.38Å; E477-G480 PolarHBondContact O-N 3.25Å |
| 478 | T | 33.8 | Very low | 29.6 | Very low | 102 Ų | 102 | 124.8 Ų | 124.8 | 63% | 0.626 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.8 | -6.3 | -178.8 | 58.7 | 0 | 0 | 0 | 0 | 115 | N474 | N474-T478 WeakPolarHBondContact O-CG2 3.45Å; N474-T478 PolarHBondContact O-N 3.21Å; N474-T478 PolarHBondContact O-OG1 3.44Å; N474-T478 VanDerWaalsContact O-OG1 3.09Å |
| 479 | N | 31.1 | Very low | 28.7 | Very low | 126 Ų | 126 | 127.6 Ų | 127.6 | 67% | 0.674 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.9 | 13.4 | 169.2 | -68.9 | -63.1 | 0 | 0 | 0 | 112.4 | Y475 E477 | Y475-N479 PolarHBondContact O-ND2 2.91Å; Y475-N479 VanDerWaalsContact O-ND2 3.12Å; E477-N479 PolarHBondContact O-N 3.38Å |
| 480 | G | 28.2 | Very low | 28.2 | Very low | 49 Ų | 49 | 128.8 Ų | 128.8 | 51% | 0.505 | 66% | 0.658 | S | S | . | * | trans | -99.7 | 8.1 | -179 | 0 | 0 | 0 | 0 | 0 | 115.5 | E477 N482 | E477-G480 PolarHBondContact O-N 3.25Å; G480-N482 PolarHBondContact O-N 2.74Å | ||
| 481 | E | 30.7 | Very low | 27.8 | Very low | 176 Ų | 176 | 130.9 Ų | 130.9 | 82% | 0.822 | 67% | 0.67 | S | S | * | * | trans | -71.8 | 124.8 | 176.1 | -72.8 | -163.2 | 151.6 | 0 | 0 | 111.3 | I483 | E481-I483 PolarHBondContact O-N 2.96Š| ||
| 482 | N | 27.6 | Very low | 27.5 | Very low | 152 Ų | 152 | 133.6 Ų | 133.6 | 81% | 0.813 | 69% | 0.689 | S | S | * | * | trans | -65.1 | 98.6 | -173.9 | -64.4 | -68.1 | 0 | 0 | 0 | 111.3 | G480 T484 | G480-N482 PolarHBondContact O-N 2.74Å; N482-T484 VanDerWaalsContact C-N 3.3Å; N482-T484 PolarHBondContact O-N 3.47Å | ||
| 483 | I | 27.1 | Very low | 27.3 | Very low | 153 Ų | 153 | 140.8 Ų | 140.8 | 79% | 0.785 | 71% | 0.71 | S | S | * | * | trans | -71.1 | 92.5 | 163.2 | -58 | 179.3 | 0 | 0 | 0 | 107.5 | E481 I485 | E481-I483 PolarHBondContact O-N 2.96Å; I483-I485 HydrophobicContact CG2-CG1 4.02Å; I483-I485 PolarHBondContact O-N 3.33Å | ||
| 484 | T | 23.2 | Very low | 27 | Very low | 118 Ų | 118 | 148 Ų | 148 | 72% | 0.724 | 74% | 0.737 | S | S | * | * | trans | -68.1 | 94.9 | 171.7 | -36.4 | 0 | 0 | 0 | 0 | 108.5 | N482 E486 | N482-T484 VanDerWaalsContact C-N 3.3Å; N482-T484 PolarHBondContact O-N 3.47Å; T484-E486 PolarHBondContact O-N 3.29Å | ||
| 485 | I | 23.8 | Very low | 26.9 | Very low | 128 Ų | 128 | 152.4 Ų | 152.4 | 66% | 0.656 | 76% | 0.759 | S | S | * | * | trans | -74.4 | 91 | 178.1 | -56.8 | 176 | 0 | 0 | 0 | 108.5 | I483 Y487 | I483-I485 HydrophobicContact CG2-CG1 4.02Å; I483-I485 PolarHBondContact O-N 3.33Å; I485-Y487 PolarHBondContact O-N 3.4Å | ||
| 486 | E | 22.5 | Very low | 26.5 | Very low | 161 Ų | 161 | 149.1 Ų | 149.1 | 75% | 0.752 | 76% | 0.762 | S | S | * | * | trans | -69.2 | 118.9 | 168.8 | -72.1 | -167.1 | 148.5 | 0 | 0 | 110.2 | T484 T488 | T484-E486 PolarHBondContact O-N 3.29Å; E486-T488 PolarHBondContact O-N 3.2Å | ||
| 487 | Y | 21 | Very low | 26.5 | Very low | 213 Ų | 213 | 147.2 Ų | 147.2 | 84% | 0.835 | 77% | 0.766 | S | S | * | * | trans | -70.2 | 89.7 | 178.4 | -73.7 | -97.5 | 0 | 0 | 0 | 110.9 | I485 | I485-Y487 PolarHBondContact O-N 3.4Š| ||
| 488 | T | 24.3 | Very low | 25.9 | Very low | 118 Ų | 118 | 148 Ų | 148 | 72% | 0.724 | 77% | 0.774 | S | S | * | * | trans | -93 | 104.7 | 165.8 | 45.9 | 0 | 0 | 0 | 0 | 109.9 | E486 N490 | E486-T488 PolarHBondContact O-N 3.2Å; T488-N490 PolarHBondContact O-N 2.9Å | ||
| 489 | N | 23.8 | Very low | 25.4 | Very low | 152 Ų | 152 | 151.7 Ų | 151.7 | 81% | 0.813 | 78% | 0.784 | S | S | * | * | trans | -62.4 | 104.2 | 175.9 | -70.2 | -39.7 | 0 | 0 | 0 | 110.6 | ||||
| 490 | N | 27.5 | Very low | 25 | Very low | 151 Ų | 151 | 152.2 Ų | 152.2 | 81% | 0.807 | 79% | 0.792 | S | S | * | * | trans | -145.7 | 126 | 161.6 | -87.7 | -53.8 | 0 | 0 | 0 | 109.2 | T488 | T488-N490 PolarHBondContact O-N 2.9Š| ||
| 491 | E | 24.1 | Very low | 24.7 | Very low | 185 Ų | 185 | 157.4 Ų | 157.4 | 86% | 0.864 | 81% | 0.807 | S | S | * | * | trans | -62.7 | 135.3 | -171.2 | -62.7 | -174 | 133.8 | 0 | 0 | 112.3 | R493 | E491-R493 PolarHBondContact O-N 3.09Å; E491-R493 VanDerWaalsContact O-N 3.15Å | ||
| 492 | P | 26.1 | Very low | 24.2 | Very low | 123 Ų | 123 | 153.8 Ų | 153.8 | 80% | 0.799 | 80% | 0.8 | S | S | * | * | trans | -70.4 | 114 | -177.5 | 27.6 | -33.5 | 0 | 0 | 0 | 110.8 | K494 | P492-K494 PolarHBondContact O-N 2.75Š| ||
| 493 | R | 23.9 | Very low | 23.8 | Very low | 240 Ų | 240 | 154.7 Ų | 154.7 | 91% | 0.906 | 80% | 0.804 | S | S | * | * | trans | -58.3 | 121.4 | 175.5 | -73.6 | -176.3 | 177.7 | -179.1 | -0.1 | 110.7 | E491 L495 | E491-R493 PolarHBondContact O-N 3.09Å; E491-R493 VanDerWaalsContact O-N 3.15Å; R493-L495 PolarHBondContact O-N 2.78Å; R493-L495 VanDerWaalsContact O-N 3.13Å | ||
| 494 | K | 24 | Very low | 23.4 | Very low | 211 Ų | 211 | 153.1 Ų | 153.1 | 92% | 0.917 | 81% | 0.805 | S | S | * | * | trans | -57.3 | 110.5 | 173.4 | -66.7 | 170.7 | 178.7 | 170.8 | 0 | 110.6 | P492 | P492-K494 PolarHBondContact O-N 2.75Š| ||
| 495 | L | 24.1 | Very low | 23.3 | Very low | 169 Ų | 169 | 157 Ų | 157 | 89% | 0.885 | 82% | 0.815 | S | S | * | * | trans | -93.5 | 135 | 161.5 | -87.3 | 156.4 | 0 | 0 | 0 | 109 | R493 | R493-L495 PolarHBondContact O-N 2.78Å; R493-L495 VanDerWaalsContact O-N 3.13Å | ||
| 496 | S | 22.6 | Very low | 23.3 | Very low | 105 Ų | 105 | 154.3 Ų | 154.3 | 73% | 0.734 | 82% | 0.818 | S | S | * | * | trans | -77 | 138.6 | -164.6 | 45.7 | 0 | 0 | 0 | 0 | 113.3 | N498 | S496-N498 PolarHBondContact O-N 3.42Š| ||
| 497 | P | 30.9 | Very low | 23.2 | Very low | 124 Ų | 124 | 153.2 Ų | 153.2 | 81% | 0.805 | 82% | 0.823 | S | S | * | * | S | Bend | trans | -82.7 | 94 | 178 | 32.5 | -32.5 | 0 | 0 | 0 | 110.4 | ||
| 498 | N | 24.3 | Very low | 23.2 | Very low | 151 Ų | 151 | 152.5 Ų | 152.5 | 81% | 0.807 | 82% | 0.824 | S | S | * | * | trans | -165.9 | 51.9 | 168.6 | -108.3 | -10.2 | 0 | 0 | 0 | 114.6 | S496 | S496-N498 PolarHBondContact O-N 3.42Š| ||
| 499 | Q | 23.8 | Very low | 23.2 | Very low | 180 Ų | 180 | 156.4 Ų | 156.4 | 84% | 0.841 | 83% | 0.834 | S | S | * | * | trans | -139.3 | 71.3 | 165 | -73.4 | -163.7 | -18.8 | 0 | 0 | 112 | I501 | Q499-I501 PolarHBondContact O-N 3.39Š| ||
| 500 | T | 21.2 | Very low | 23 | Very low | 137 Ų | 137 | 154.8 Ų | 154.8 | 84% | 0.84 | 83% | 0.83 | S | S | * | * | trans | -80.8 | 98.4 | 165.6 | -55.2 | 0 | 0 | 0 | 0 | 108.8 | C502 | T500-C502 PolarHBondContact O-N 2.95Å; T500-C502 VanDerWaalsContact O-N 3.1Å | ||
| 501 | I | 22 | Very low | 22.8 | Very low | 159 Ų | 159 | 156.9 Ų | 156.9 | 82% | 0.815 | 83% | 0.832 | S | S | * | * | trans | -74.7 | 102.4 | 176.4 | -60.8 | 177.6 | 0 | 0 | 0 | 108.5 | Q499 | Q499-I501 PolarHBondContact O-N 3.39Š| ||
| 502 | C | 19.8 | Very low | 22.7 | Very low | 100 Ų | 100 | 156.2 Ų | 156.2 | 68% | 0.676 | 83% | 0.829 | S | S | * | * | trans | -80.5 | 140 | 179.3 | -157.8 | 0 | 0 | 0 | 0 | 110.8 | T500 C504 | T500-C502 PolarHBondContact O-N 2.95Å; T500-C502 VanDerWaalsContact O-N 3.1Å; C502-C504 PolarHBondContact O-N 2.89Å | ||
| 503 | L | 19.4 | Very low | 22.6 | Very low | 171 Ų | 171 | 159.4 Ų | 159.4 | 90% | 0.895 | 83% | 0.83 | S | S | * | * | trans | -69.1 | 118.6 | 170.9 | -75.7 | 107.2 | 0 | 0 | 0 | 109.6 | ||||
| 504 | C | 20.3 | Very low | 22.5 | Very low | 119 Ų | 119 | 154.8 Ų | 154.8 | 80% | 0.804 | 83% | 0.828 | S | S | * | * | trans | -106.8 | 118 | 171.1 | -65.8 | 0 | 0 | 0 | 0 | 109.7 | C502 G506 | C502-C504 PolarHBondContact O-N 2.89Å; C504-G506 PolarHBondContact O-N 3.21Å | ||
| 505 | E | 19.9 | Very low | 22.5 | Very low | 200 Ų | 200 | 152.2 Ų | 152.2 | 94% | 0.935 | 82% | 0.824 | S | S | * | * | trans | -70.2 | 122.4 | 168.4 | -63.8 | 179.9 | 137.8 | 0 | 0 | 109.5 | ||||
| 506 | G | 23.6 | Very low | 22.5 | Very low | 71 Ų | 71 | 149.1 Ų | 149.1 | 73% | 0.732 | 82% | 0.816 | S | S | * | * | trans | -109.3 | 92 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | C504 | C504-G506 PolarHBondContact O-N 3.21Š| ||
| 507 | T | 20.7 | Very low | 22.6 | Very low | 138 Ų | 138 | 151 Ų | 151 | 85% | 0.847 | 82% | 0.818 | S | S | * | * | trans | 10 | 131.8 | 155.9 | 48.2 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 508 | K | 21.2 | Very low | 22.2 | Very low | 199 Ų | 199 | 150 Ų | 150 | 87% | 0.865 | 81% | 0.813 | S | S | * | * | trans | -43 | 148.6 | 161.8 | -56.5 | 163.3 | 177.7 | 171.8 | 0 | 114.3 | ||||
| 509 | E | 23.8 | Very low | 22.1 | Very low | 199 Ų | 199 | 151.1 Ų | 151.1 | 93% | 0.93 | 81% | 0.813 | S | S | * | * | trans | -149.1 | 155.8 | 137.5 | -123.9 | 174.5 | -145.6 | 0 | 0 | 111.8 | ||||
| 510 | T | 21 | Very low | 22 | Very low | 118 Ų | 118 | 149.8 Ų | 149.8 | 72% | 0.724 | 82% | 0.817 | S | S | * | * | trans | -121 | 145.6 | -158.4 | 46.8 | 0 | 0 | 0 | 0 | 114 | ||||
| 511 | K | 23 | Very low | 21.9 | Very low | 196 Ų | 196 | 151.6 Ų | 151.6 | 85% | 0.852 | 82% | 0.816 | S | S | * | * | trans | -179.3 | 110.4 | 149.5 | -96.8 | 146.3 | -173.7 | 177.3 | 0 | 107.9 | ||||
| 512 | E | 20.8 | Very low | 22 | Very low | 170 Ų | 170 | 153.3 Ų | 153.3 | 79% | 0.794 | 82% | 0.821 | S | S | * | * | 89.8 | 141 | 61.3 | -83.5 | -155.4 | 147.5 | 0 | 0 | 115.4 | |||||
| 513 | K | 24.6 | Very low | 22 | Very low | 190 Ų | 190 | 157 Ų | 157 | 83% | 0.826 | 83% | 0.828 | S | S | * | * | trans | 69.4 | 105 | 176 | -63.8 | 178 | 178.9 | -179.2 | 0 | 115.8 | ||||
| 514 | V | 22.5 | Very low | 22.2 | Very low | 143 Ų | 143 | 157 Ų | 157 | 87% | 0.867 | 83% | 0.829 | S | S | * | * | cis | 97.4 | 122.9 | 36.2 | -179.9 | 0 | 0 | 0 | 0 | 114 | ||||
| 515 | L | 23.8 | Very low | 22.2 | Very low | 157 Ų | 157 | 157.4 Ų | 157.4 | 82% | 0.822 | 83% | 0.827 | S | S | * | * | trans | -51.3 | 151.7 | 174.3 | -111.3 | 67.2 | 0 | 0 | 0 | 117.7 | ||||
| 516 | S | 23.5 | Very low | 22.2 | Very low | 104 Ų | 104 | 153.1 Ų | 153.1 | 73% | 0.727 | 82% | 0.82 | S | S | * | * | trans | -174.2 | 118.8 | 139.9 | 53.4 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 517 | D | 24.1 | Very low | 22.2 | Very low | 146 Ų | 146 | 158.3 Ų | 158.3 | 78% | 0.781 | 83% | 0.825 | S | S | * | * | 67.1 | 138.2 | 80.9 | -65.1 | -16.4 | 0 | 0 | 0 | 113.6 | |||||
| 518 | C | 23.2 | Very low | 22.2 | Very low | 102 Ų | 102 | 158.6 Ų | 158.6 | 69% | 0.689 | 82% | 0.821 | S | S | * | * | cis | -166.1 | 173.5 | -18.2 | -151.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 519 | E | 21.1 | Very low | 22.3 | Very low | 174 Ų | 174 | 160.1 Ų | 160.1 | 81% | 0.813 | 82% | 0.823 | S | S | * | * | trans | 51.8 | 125 | 153.8 | -77.1 | 170.8 | -168.1 | 0 | 0 | 123.6 | ||||
| 520 | T | 22.6 | Very low | 22.3 | Very low | 152 Ų | 152 | 156 Ų | 156 | 93% | 0.933 | 82% | 0.817 | S | S | * | * | trans | -144.1 | 144.6 | 130.6 | 19.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 521 | Q | 19.4 | Very low | 22.4 | Very low | 175 Ų | 175 | 158.1 Ų | 158.1 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | trans | -93 | 145.1 | 178.9 | -60.7 | 170.3 | -47.8 | 0 | 0 | 110.9 | ||||
| 522 | E | 24.4 | Very low | 22.5 | Very low | 196 Ų | 196 | 157.8 Ų | 157.8 | 92% | 0.916 | 82% | 0.82 | S | S | * | * | trans | -123.5 | 122 | 153.2 | -77.6 | -167.5 | 147.4 | 0 | 0 | 110.3 | ||||
| 523 | Q | 19.9 | Very low | 22.8 | Very low | 176 Ų | 176 | 158.6 Ų | 158.6 | 82% | 0.822 | 82% | 0.824 | S | S | * | * | trans | -83.8 | 131.5 | 170 | -65.1 | 173.1 | -32.9 | 0 | 0 | 108.9 | ||||
| 524 | L | 22.1 | Very low | 22.8 | Very low | 173 Ų | 173 | 157 Ų | 157 | 91% | 0.906 | 82% | 0.819 | S | S | * | * | trans | -133 | 137.2 | 155.6 | -87.4 | 173.8 | 0 | 0 | 0 | 110.7 | ||||
| 525 | T | 21.5 | Very low | 22.9 | Very low | 126 Ų | 126 | 160.9 Ų | 160.9 | 77% | 0.773 | 82% | 0.82 | S | S | * | * | trans | -93.2 | 160.5 | -158.5 | 41.1 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 526 | S | 20 | Very low | 23.1 | Very low | 111 Ų | 111 | 159.3 Ų | 159.3 | 78% | 0.776 | 82% | 0.817 | S | S | * | * | trans | -67.2 | 131 | 175 | 51.8 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 527 | E | 22.7 | Very low | 23.4 | Very low | 180 Ų | 180 | 159.3 Ų | 159.3 | 84% | 0.841 | 81% | 0.808 | S | S | * | * | trans | -118.2 | 142.8 | 157.9 | -72.1 | -163.6 | 150 | 0 | 0 | 111.5 | ||||
| 528 | N | 21 | Very low | 23.6 | Very low | 143 Ų | 143 | 157.9 Ų | 157.9 | 77% | 0.765 | 80% | 0.8 | S | S | * | * | trans | -91.5 | 130.8 | -175.1 | -64.7 | -72.5 | 0 | 0 | 0 | 110.7 | ||||
| 529 | Y | 22.7 | Very low | 24 | Very low | 231 Ų | 231 | 161.6 Ų | 161.6 | 91% | 0.906 | 80% | 0.804 | S | S | * | * | trans | -133.3 | 114.8 | 152.1 | -90.7 | -78.6 | 0 | 0 | 0 | 111.6 | ||||
| 530 | S | 23.7 | Very low | 24.5 | Very low | 114 Ų | 114 | 160.4 Ų | 160.4 | 80% | 0.797 | 80% | 0.799 | S | S | * | * | trans | -84.8 | 134.7 | -179.5 | -78.2 | 0 | 0 | 0 | 0 | 112.1 | K532 | S530-K532 PolarHBondContact O-N 2.84Š| ||
| 531 | I | 24.9 | Very low | 24.9 | Very low | 161 Ų | 161 | 158.2 Ų | 158.2 | 83% | 0.826 | 78% | 0.781 | S | S | * | * | trans | -22.3 | 121.3 | 157.9 | -47.1 | 163.4 | 0 | 0 | 0 | 114 | ||||
| 532 | K | 24.7 | Very low | 25.4 | Very low | 189 Ų | 189 | 156.7 Ų | 156.7 | 82% | 0.822 | 77% | 0.774 | S | S | * | * | 160.3 | 93.2 | 126.1 | -89.2 | 176.3 | -179.1 | 178.9 | 0 | 111.2 | S530 | S530-K532 PolarHBondContact O-N 2.84Š| |||
| 533 | E | 25.5 | Very low | 25.9 | Very low | 187 Ų | 187 | 155.1 Ų | 155.1 | 87% | 0.874 | 77% | 0.767 | S | S | * | * | S | Bend | trans | 178.5 | 88.3 | 147.1 | -106.2 | 167.5 | -148.6 | 0 | 0 | 109.6 | ||
| 534 | H | 24.9 | Very low | 26.4 | Very low | 158 Ų | 158 | 153.7 Ų | 153.7 | 73% | 0.731 | 76% | 0.758 | S | S | * | * | trans | -166.9 | 8 | 161.6 | -107 | -55 | 0 | 0 | 0 | 114.1 | T536 | H534-T536 VanDerWaalsContact C-N 3.3Å; H534-T536 PolarHBondContact O-N 2.65Å | ||
| 535 | Y | 25.1 | Very low | 26.8 | Very low | 224 Ų | 224 | 152.8 Ų | 152.8 | 88% | 0.878 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.5 | 11.1 | -173.1 | -109.5 | -72.7 | 0 | 0 | 0 | 115.4 | ||
| 536 | T | 29.2 | Very low | 27.3 | Very low | 123 Ų | 123 | 154.6 Ų | 154.6 | 76% | 0.755 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.3 | -16 | -176.4 | 30.7 | 0 | 0 | 0 | 0 | 115.5 | H534 | H534-T536 VanDerWaalsContact C-N 3.3Å; H534-T536 PolarHBondContact O-N 2.65Å |
| 537 | N | 29.3 | Very low | 27.8 | Very low | 104 Ų | 104 | 153.2 Ų | 153.2 | 56% | 0.556 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -97.9 | -13.6 | -177.2 | -72.7 | 10.6 | 0 | 0 | 0 | 115.1 | K539 Q540 | N537-K539 PolarHBondContact O-N 3.31Å; N537-K539 VanDerWaalsContact O-N 3.11Å; N537-Q540 PolarHBondContact O-N 2.82Å |
| 538 | I | 28.1 | Very low | 28.2 | Very low | 117 Ų | 117 | 151.3 Ų | 151.3 | 60% | 0.6 | 73% | 0.73 | S | S | * | * | H | α-helix | trans | -72.2 | -4.9 | -179.6 | -62.3 | 177.2 | 0 | 0 | 0 | 112.6 | ||
| 539 | K | 31.2 | Very low | 28.6 | Very low | 180 Ų | 180 | 152.2 Ų | 152.2 | 78% | 0.783 | 73% | 0.727 | S | S | * | * | H | α-helix | trans | -97 | 7.3 | 174.5 | -94.9 | -162.7 | 172.2 | -164.3 | 0 | 115.9 | N537 | N537-K539 PolarHBondContact O-N 3.31Å; N537-K539 VanDerWaalsContact O-N 3.11Å |
| 540 | Q | 31.7 | Very low | 29 | Very low | 149 Ų | 149 | 148 Ų | 148 | 70% | 0.696 | 72% | 0.721 | S | S | * | * | H | α-helix | trans | -115.4 | -12 | 171 | -77 | -168.8 | -30.1 | 0 | 0 | 114.5 | N537 | N537-Q540 PolarHBondContact O-N 2.82Å |
| 541 | D | 31.9 | Very low | 29.3 | Very low | 106 Ų | 106 | 145.9 Ų | 145.9 | 57% | 0.567 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -86.3 | -24 | 174.5 | -67.9 | -36.2 | 0 | 0 | 0 | 113 | E543 K544 E545 | D541-E543 VanDerWaalsContact C-N 3.27Å; D541-E543 PolarHBondContact O-N 2.94Å; D541-K544 PolarHBondContact O-N 2.88Å; D541-K544 VanDerWaalsContact O-N 3.12Å; D541-E545 PolarHBondContact O-N 3.15Å |
| 542 | E | 29.4 | Very low | 29.4 | Very low | 143 Ų | 143 | 142.1 Ų | 142.1 | 67% | 0.668 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -67 | -22.8 | 173.6 | -72.7 | -170.6 | 151.7 | 0 | 0 | 113.3 | ||
| 543 | E | 33.7 | Very low | 29.7 | Very low | 163 Ų | 163 | 138.7 Ų | 138.7 | 76% | 0.762 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -88.2 | -7.6 | 172.6 | -73.4 | -173.8 | 167.5 | 0 | 0 | 113.6 | D541 | D541-E543 VanDerWaalsContact C-N 3.27Å; D541-E543 PolarHBondContact O-N 2.94Å |
| 544 | K | 32.2 | Very low | 30 | Very low | 145 Ų | 145 | 136.1 Ų | 136.1 | 63% | 0.63 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -93.1 | -30.9 | 173.3 | -82 | -176.1 | 175.9 | 175.7 | 0 | 113.5 | D541 E546 S547 | D541-K544 PolarHBondContact O-N 2.88Å; D541-K544 VanDerWaalsContact O-N 3.12Å; K544-E546 VanDerWaalsContact C-N 3.32Å; K544-E546 PolarHBondContact O-N 3.16Å; K544-S547 PolarHBondContact O-N 2.99Å; K544-S547 PolarHBondContact O-OG 3.05Å |
| 545 | E | 28.8 | Very low | 30.3 | Very low | 155 Ų | 155 | 136.2 Ų | 136.2 | 72% | 0.724 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -67.9 | -25.3 | 176.5 | -69.6 | -161.7 | 150.7 | 0 | 0 | 113.8 | D541 S547 H548 | D541-E545 PolarHBondContact O-N 3.15Å; E545-S547 VanDerWaalsContact C-N 3.3Å; E545-S547 PolarHBondContact O-N 3.09Å; E545-H548 PolarHBondContact O-N 3.36Å |
| 546 | E | 32.3 | Very low | 30.5 | Very low | 164 Ų | 164 | 131.5 Ų | 131.5 | 77% | 0.766 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -71 | -20.2 | 172.8 | -81.2 | -163.7 | 155.5 | 0 | 0 | 113.9 | K544 | K544-E546 VanDerWaalsContact C-N 3.32Å; K544-E546 PolarHBondContact O-N 3.16Å |
| 547 | S | 31.7 | Very low | 30.4 | Very low | 82 Ų | 82 | 129.7 Ų | 129.7 | 57% | 0.573 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -87.4 | -17 | 176.1 | 64.4 | 0 | 0 | 0 | 0 | 114.3 | K544 E545 | K544-S547 PolarHBondContact O-N 2.99Å; K544-S547 PolarHBondContact O-OG 3.05Å; E545-S547 VanDerWaalsContact C-N 3.3Å; E545-S547 PolarHBondContact O-N 3.09Å |
| 548 | H | 30.6 | Very low | 30.4 | Very low | 139 Ų | 139 | 129.5 Ų | 129.5 | 64% | 0.644 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -92.9 | -8.1 | 178.3 | -106.4 | -22.9 | 0 | 0 | 0 | 115.1 | E545 | E545-H548 PolarHBondContact O-N 3.36Å |
| 549 | F | 29.3 | Very low | 30.4 | Very low | 163 Ų | 163 | 128.5 Ų | 128.5 | 72% | 0.715 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.7 | -7.8 | 173.7 | -116 | -82.1 | 0 | 0 | 0 | 114.9 | ||
| 550 | N | 31.4 | Very low | 30.1 | Very low | 143 Ų | 143 | 129.3 Ų | 129.3 | 77% | 0.765 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.7 | 8.8 | 178.6 | -79.7 | -25.7 | 0 | 0 | 0 | 114.7 | ||
| 551 | S | 29.9 | Very low | 30 | Very low | 69 Ų | 69 | 130.5 Ų | 130.5 | 48% | 0.483 | 66% | 0.663 | S | S | . | * | S | Bend | trans | -118.3 | 5.2 | 175.2 | 75.4 | 0 | 0 | 0 | 0 | 114.8 | ||
| 552 | T | 27.4 | Very low | 29.9 | Very low | 81 Ų | 81 | 133.9 Ų | 133.9 | 50% | 0.497 | 68% | 0.675 | S | S | . | * | S | Bend | trans | -112 | -6.2 | -178 | 34.6 | 0 | 0 | 0 | 0 | 114.9 | ||
| 553 | N | 29.6 | Very low | 29.7 | Very low | 117 Ų | 117 | 135.5 Ų | 135.5 | 63% | 0.626 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -84.1 | -20.1 | 170.3 | -82.7 | -23.4 | 0 | 0 | 0 | 113.8 | S557 | N553-S557 PolarHBondContact O-OG 3.33Š|
| 554 | D | 33 | Very low | 29.3 | Very low | 133 Ų | 133 | 135.6 Ų | 135.6 | 71% | 0.711 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.3 | -2.2 | -177.4 | -74.3 | -9 | 0 | 0 | 0 | 114.6 | ||
| 555 | Q | 31 | Very low | 29.1 | Very low | 161 Ų | 161 | 135.6 Ų | 135.6 | 75% | 0.752 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116 | 4.2 | 173.3 | -72.4 | -150.7 | -20.3 | 0 | 0 | 115.3 | ||
| 556 | L | 28 | Very low | 28.9 | Very low | 125 Ų | 125 | 135.9 Ų | 135.9 | 65% | 0.654 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.9 | -8.8 | 171.2 | -96.9 | 156.1 | 0 | 0 | 0 | 113.8 | ||
| 557 | S | 28.2 | Very low | 28.6 | Very low | 84 Ų | 84 | 137.2 Ų | 137.2 | 59% | 0.587 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -87.8 | -13.4 | 176 | -57 | 0 | 0 | 0 | 0 | 113.9 | N553 | N553-S557 PolarHBondContact O-OG 3.33Š|
| 558 | T | 28.5 | Very low | 28.2 | Very low | 100 Ų | 100 | 140.8 Ų | 140.8 | 61% | 0.613 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -102.2 | -3 | -175.6 | 44 | 0 | 0 | 0 | 0 | 115 | ||
| 559 | T | 28 | Very low | 27.9 | Very low | 97 Ų | 97 | 142 Ų | 142 | 60% | 0.595 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -97.9 | -12.3 | 172.6 | -32.9 | 0 | 0 | 0 | 0 | 113.2 | ||
| 560 | Y | 26 | Very low | 27.5 | Very low | 196 Ų | 196 | 142.3 Ų | 142.3 | 77% | 0.769 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -92 | -8.8 | -177.8 | -106.5 | -82.5 | 0 | 0 | 0 | 115.3 | ||
| 561 | E | 29.5 | Very low | 27.1 | Very low | 175 Ų | 175 | 142.9 Ų | 142.9 | 82% | 0.818 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -102.6 | 5.6 | 176.8 | -71.8 | -165 | 151.4 | 0 | 0 | 114.6 | ||
| 562 | Q | 29.3 | Very low | 26.7 | Very low | 176 Ų | 176 | 145 Ų | 145 | 82% | 0.822 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -117.8 | 21.6 | 177.5 | -71.6 | -164.1 | -19 | 0 | 0 | 115.1 | ||
| 563 | Q | 26 | Very low | 26.5 | Very low | 178 Ų | 178 | 150.1 Ų | 150.1 | 83% | 0.832 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -128.5 | 12.6 | 172.6 | -77.6 | -162.8 | -36.4 | 0 | 0 | 115.4 | ||
| 564 | M | 24 | Very low | 26.2 | Very low | 164 Ų | 164 | 148.8 Ų | 148.8 | 81% | 0.808 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -98.8 | -8.5 | 175 | -70.9 | -65.2 | -75.9 | 0 | 0 | 114.6 | N566 | M564-N566 PolarHBondContact O-N 2.9Š|
| 565 | D | 28 | Very low | 25.6 | Very low | 146 Ų | 146 | 152.6 Ų | 152.6 | 78% | 0.781 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.8 | 81 | 172.8 | -76.6 | -29.6 | 0 | 0 | 0 | 111.2 | ||
| 566 | N | 25.9 | Very low | 25.3 | Very low | 160 Ų | 160 | 151.5 Ų | 151.5 | 86% | 0.856 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 179.3 | 31.5 | 148.6 | -96.8 | -35.1 | 0 | 0 | 0 | 116.8 | M564 | M564-N566 PolarHBondContact O-N 2.9Š|
| 567 | Q | 26.2 | Very low | 25 | Very low | 193 Ų | 193 | 152.3 Ų | 152.3 | 90% | 0.902 | 78% | 0.776 | S | S | * | * | trans | -135.5 | 49.1 | 166.7 | -72 | -161 | -4.8 | 0 | 0 | 114.2 | ||||
| 568 | N | 21.9 | Very low | 24.8 | Very low | 157 Ų | 157 | 152 Ų | 152 | 84% | 0.84 | 79% | 0.786 | S | S | * | * | trans | -99.1 | 82.2 | 161.2 | -88.9 | -40 | 0 | 0 | 0 | 110.1 | ||||
| 569 | I | 24.1 | Very low | 24.5 | Very low | 163 Ų | 163 | 155.7 Ų | 155.7 | 84% | 0.836 | 80% | 0.802 | S | S | * | * | trans | -117.2 | 109.5 | 163.7 | -64.5 | -176.5 | 0 | 0 | 0 | 109.3 | L571 | I569-L571 PolarHBondContact O-N 3.37Š| ||
| 570 | F | 22.2 | Very low | 24.3 | Very low | 170 Ų | 170 | 156 Ų | 156 | 75% | 0.746 | 81% | 0.807 | S | S | * | * | trans | -40.8 | 127.2 | 172.7 | -85.8 | -115.4 | 0 | 0 | 0 | 114 | T572 | F570-T572 HydrophobicContact CD1-CG2 3.87Å; F570-T572 HydrophobicContact CE1-CG2 4.23Å | ||
| 571 | L | 22.5 | Very low | 24.2 | Very low | 156 Ų | 156 | 151 Ų | 151 | 82% | 0.817 | 80% | 0.801 | S | S | * | * | trans | -132.5 | 68.3 | 147.4 | -92.9 | 173.2 | 0 | 0 | 0 | 110.1 | I569 K573 | I569-L571 PolarHBondContact O-N 3.37Å; L571-K573 PolarHBondContact O-N 2.85Å | ||
| 572 | T | 21.2 | Very low | 23.8 | Very low | 113 Ų | 113 | 148.2 Ų | 148.2 | 69% | 0.693 | 80% | 0.801 | S | S | * | * | trans | -61.1 | 115.6 | 159.3 | 43.8 | 0 | 0 | 0 | 0 | 109.4 | F570 | F570-T572 HydrophobicContact CD1-CG2 3.87Å; F570-T572 HydrophobicContact CE1-CG2 4.23Å | ||
| 573 | K | 24.2 | Very low | 23.5 | Very low | 188 Ų | 188 | 146 Ų | 146 | 82% | 0.817 | 80% | 0.8 | S | S | * | * | trans | -124.9 | 124.1 | 160.1 | -78.6 | -168 | 173.7 | -177.9 | 0 | 110.3 | L571 | L571-K573 PolarHBondContact O-N 2.85Š| ||
| 574 | S | 23.6 | Very low | 23.3 | Very low | 90 Ų | 90 | 143 Ų | 143 | 63% | 0.629 | 79% | 0.794 | S | S | * | * | trans | -58.2 | 141 | -172.1 | 37 | 0 | 0 | 0 | 0 | 113.3 | D576 | S574-D576 VanDerWaalsContact C-N 3.32Å; S574-D576 VanDerWaalsContact CB-OD2 3.23Å; S574-D576 WeakPolarHBondContact CB-OD2 3.4Å; S574-D576 PolarHBondContact O-N 3.25Å; S574-D576 PolarHBondContact OG-OD2 3.47Å | ||
| 575 | F | 20 | Very low | 23.2 | Very low | 213 Ų | 213 | 140.3 Ų | 140.3 | 93% | 0.934 | 79% | 0.791 | S | S | * | * | trans | -75.4 | 88.3 | 152.8 | -82.9 | -93.7 | 0 | 0 | 0 | 108.1 | ||||
| 576 | D | 24.1 | Very low | 23 | Very low | 138 Ų | 138 | 141 Ų | 141 | 74% | 0.738 | 80% | 0.795 | S | S | * | * | trans | -86.1 | 117.8 | 170.2 | -76.6 | -55.7 | 0 | 0 | 0 | 110.7 | S574 G578 | S574-D576 VanDerWaalsContact C-N 3.32Å; S574-D576 VanDerWaalsContact CB-OD2 3.23Å; S574-D576 WeakPolarHBondContact CB-OD2 3.4Å; S574-D576 PolarHBondContact O-N 3.25Å; S574-D576 PolarHBondContact OG-OD2 3.47Å; D576-G578 PolarHBondContact O-N 3.06Å | ||
| 577 | T | 22.2 | Very low | 22.8 | Very low | 141 Ų | 141 | 138.2 Ų | 138.2 | 87% | 0.865 | 79% | 0.788 | S | S | * | * | trans | -72.1 | 106.5 | -178.7 | 46.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 578 | G | 24.1 | Very low | 22.6 | Very low | 78 Ų | 78 | 136.7 Ų | 136.7 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | trans | -103.6 | 58.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | D576 S580 | D576-G578 PolarHBondContact O-N 3.06Å; G578-S580 PolarHBondContact O-N 3.31Å | ||
| 579 | L | 22.1 | Very low | 22.6 | Very low | 178 Ų | 178 | 133.7 Ų | 133.7 | 93% | 0.932 | 78% | 0.777 | S | S | * | * | trans | -83.5 | 104.5 | 167.6 | -110.7 | 162.9 | 0 | 0 | 0 | 108.8 | ||||
| 580 | S | 23.1 | Very low | 22.6 | Very low | 102 Ų | 102 | 135 Ų | 135 | 71% | 0.713 | 78% | 0.776 | S | S | * | * | trans | -149.6 | 135.9 | 166.2 | 57.3 | 0 | 0 | 0 | 0 | 113.6 | G578 | G578-S580 PolarHBondContact O-N 3.31Š| ||
| 581 | S | 23.1 | Very low | 22.6 | Very low | 92 Ų | 92 | 133.4 Ų | 133.4 | 64% | 0.643 | 78% | 0.781 | S | S | * | * | trans | 40.2 | 101.1 | 161.1 | 50.4 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 582 | S | 22.2 | Very low | 22.7 | Very low | 116 Ų | 116 | 133.3 Ų | 133.3 | 81% | 0.811 | 78% | 0.781 | S | S | * | * | 50.9 | 88.5 | 78.4 | 80.6 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 583 | T | 23.1 | Very low | 22.7 | Very low | 131 Ų | 131 | 132.9 Ų | 132.9 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | trans | -122.4 | 90.3 | 163.7 | 9.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 584 | T | 21.7 | Very low | 22.7 | Very low | 114 Ų | 114 | 132 Ų | 132 | 70% | 0.699 | 79% | 0.786 | S | S | * | * | trans | 39.1 | 99.7 | 142.1 | 48.8 | 0 | 0 | 0 | 0 | 118.1 | N586 | T584-N586 PolarHBondContact O-N 3.15Å; T584-N586 VanDerWaalsContact O-N 3.08Å | ||
| 585 | S | 21.6 | Very low | 22.8 | Very low | 108 Ų | 108 | 132.1 Ų | 132.1 | 76% | 0.755 | 79% | 0.792 | S | S | * | * | trans | -55 | 102 | 155.6 | 50.2 | 0 | 0 | 0 | 0 | 112.3 | S587 | S585-S587 VanDerWaalsContact C-N 3.27Å; S585-S587 PolarHBondContact O-N 2.96Å | ||
| 586 | N | 22.8 | Very low | 22.8 | Very low | 159 Ų | 159 | 131.1 Ų | 131.1 | 85% | 0.85 | 79% | 0.79 | S | S | * | * | trans | -88.4 | 67.3 | 161.6 | -88.2 | -17.7 | 0 | 0 | 0 | 110.4 | T584 L588 | T584-N586 PolarHBondContact O-N 3.15Å; T584-N586 VanDerWaalsContact O-N 3.08Å; N586-L588 VanDerWaalsContact C-N 3.32Å; N586-L588 PolarHBondContact O-N 3.33Å; N586-L588 VanDerWaalsContact O-N 3.1Å | ||
| 587 | S | 22.4 | Very low | 22.8 | Very low | 102 Ų | 102 | 133.8 Ų | 133.8 | 71% | 0.713 | 80% | 0.798 | S | S | * | * | trans | -78.9 | 80.4 | 168.4 | 55.4 | 0 | 0 | 0 | 0 | 109.8 | S585 S589 | S585-S587 VanDerWaalsContact C-N 3.27Å; S585-S587 PolarHBondContact O-N 2.96Å; S587-S589 PolarHBondContact O-N 2.89Å; S587-S589 VanDerWaalsContact O-N 3.09Å | ||
| 588 | L | 21.6 | Very low | 22.9 | Very low | 162 Ų | 162 | 133.3 Ų | 133.3 | 85% | 0.848 | 79% | 0.786 | S | S | * | * | trans | -74.3 | 102.2 | 173.1 | -169.9 | 66.2 | 0 | 0 | 0 | 109.7 | N586 | N586-L588 VanDerWaalsContact C-N 3.32Å; N586-L588 PolarHBondContact O-N 3.33Å; N586-L588 VanDerWaalsContact O-N 3.1Å | ||
| 589 | S | 22 | Very low | 23 | Very low | 94 Ų | 94 | 138 Ų | 138 | 66% | 0.657 | 79% | 0.792 | S | S | * | * | trans | -62.8 | 138.1 | 170.5 | 46.4 | 0 | 0 | 0 | 0 | 111.4 | S587 | S587-S589 PolarHBondContact O-N 2.89Å; S587-S589 VanDerWaalsContact O-N 3.09Å | ||
| 590 | K | 24.5 | Very low | 23 | Very low | 190 Ų | 190 | 132.9 Ų | 132.9 | 83% | 0.826 | 77% | 0.771 | S | S | * | * | trans | -161.7 | 64.5 | 153.5 | -111.5 | 164.5 | -171.2 | -179.6 | 0 | 110.9 | N592 | K590-N592 PolarHBondContact O-N 3.21Š| ||
| 591 | T | 22.1 | Very low | 23 | Very low | 137 Ų | 137 | 132.8 Ų | 132.8 | 84% | 0.84 | 77% | 0.77 | S | S | * | * | trans | -73.8 | 101.5 | 159.8 | 45.5 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 592 | N | 24.4 | Very low | 23.1 | Very low | 153 Ų | 153 | 137.9 Ų | 137.9 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | -81.5 | 125.2 | 165.2 | -87.3 | 5.8 | 0 | 0 | 0 | 109.2 | K590 | K590-N592 PolarHBondContact O-N 3.21Š| ||
| 593 | S | 22.1 | Very low | 23.2 | Very low | 105 Ų | 105 | 140.7 Ų | 140.7 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | trans | -68.7 | 161.5 | 171.1 | 45.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 594 | L | 24.5 | Very low | 23.1 | Very low | 170 Ų | 170 | 142.7 Ų | 142.7 | 89% | 0.89 | 79% | 0.786 | S | S | * | * | trans | 174.9 | 84.7 | 139.7 | -92.4 | 161.7 | 0 | 0 | 0 | 104.9 | ||||
| 595 | A | 24.5 | Very low | 23.2 | Very low | 91 Ų | 91 | 141.8 Ų | 141.8 | 75% | 0.752 | 78% | 0.784 | S | S | * | * | 82.3 | 102.9 | 88.3 | 0 | 0 | 0 | 0 | 0 | 111 | |||||
| 596 | E | 20.5 | Very low | 23.5 | Very low | 192 Ų | 192 | 142.5 Ų | 142.5 | 90% | 0.897 | 79% | 0.786 | S | S | * | * | trans | -69.7 | 131.9 | 163.9 | -64.3 | 171.3 | 132.1 | 0 | 0 | 108.3 | ||||
| 597 | E | 25.3 | Very low | 23.6 | Very low | 194 Ų | 194 | 142.5 Ų | 142.5 | 91% | 0.907 | 78% | 0.784 | S | S | * | * | trans | -118.2 | 141.2 | 160.4 | -108.2 | -171.3 | 173.8 | 0 | 0 | 110.1 | ||||
| 598 | H | 23.3 | Very low | 23.6 | Very low | 131 Ų | 131 | 145.8 Ų | 145.8 | 61% | 0.606 | 79% | 0.788 | S | S | * | * | trans | -76.1 | 160.2 | -172.7 | -64 | -142.5 | 0 | 0 | 0 | 109.9 | E1761 | H598-E1761 IonicContact CE1-OE1 3.42Å; H598-E1761 IonicContact CE1-OE2 2.84Å; H598-E1761 PolarHBondContact CE1-OE2 2.93Å; H598-E1761 IonicContact NE2-OE2 2.66Å; H598-E1761 PolarHBondContact NE2-OE2 3.43Å | ||
| 599 | L | 26.4 | Very low | 23.8 | Very low | 177 Ų | 177 | 146.7 Ų | 146.7 | 93% | 0.927 | 79% | 0.788 | S | S | * | * | -166.4 | 108.3 | 128.5 | -104.7 | 159.5 | 0 | 0 | 0 | 111.3 | |||||
| 600 | S | 22 | Very low | 23.9 | Very low | 71 Ų | 71 | 149.5 Ų | 149.5 | 50% | 0.497 | 79% | 0.792 | S | S | . | * | trans | -80.2 | 141.3 | 175.9 | 63 | 0 | 0 | 0 | 0 | 112.3 | K1759 | S600-K1759 PolarHBondContact OG-NZ 3.03Š| ||
| 601 | S | 22.3 | Very low | 23.8 | Very low | 100 Ų | 100 | 150.3 Ų | 150.3 | 70% | 0.699 | 80% | 0.796 | S | S | * | * | trans | 56.8 | 102.8 | 149.3 | 61.8 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 602 | K | 26 | Very low | 24 | Very low | 199 Ų | 199 | 150.4 Ų | 150.4 | 87% | 0.865 | 79% | 0.792 | S | S | * | * | trans | -130 | 122.8 | 145.7 | -84.2 | -172.3 | 175.3 | 177.2 | 0 | 111 | ||||
| 603 | H | 24.4 | Very low | 23.9 | Very low | 174 Ų | 174 | 148.1 Ų | 148.1 | 81% | 0.806 | 79% | 0.788 | S | S | * | * | trans | 42.2 | 109.2 | 156.8 | -75.5 | -84.5 | 0 | 0 | 0 | 120.3 | ||||
| 604 | L | 21.1 | Very low | 24 | Very low | 174 Ų | 174 | 148.6 Ų | 148.6 | 91% | 0.911 | 79% | 0.791 | S | S | * | * | -63.1 | 135.6 | 129.8 | -76.9 | 84.8 | 0 | 0 | 0 | 108.8 | |||||
| 605 | S | 23.1 | Very low | 24 | Very low | 95 Ų | 95 | 144 Ų | 144 | 66% | 0.664 | 79% | 0.785 | S | S | * | * | trans | -132.8 | 129.8 | 150.3 | 51.7 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 606 | P | 29.3 | Very low | 24 | Very low | 122 Ų | 122 | 145 Ų | 145 | 79% | 0.792 | 79% | 0.787 | S | S | * | * | trans | -78.9 | 135.4 | -171 | 31.8 | -34 | 0 | 0 | 0 | 111 | ||||
| 607 | I | 25 | Very low | 24.1 | Very low | 159 Ų | 159 | 141.8 Ų | 141.8 | 82% | 0.815 | 78% | 0.78 | S | S | * | * | trans | -122.8 | 96.1 | 158.3 | -62.4 | -178.6 | 0 | 0 | 0 | 106.3 | ||||
| 608 | E | 21.4 | Very low | 24 | Very low | 171 Ų | 171 | 140.7 Ų | 140.7 | 80% | 0.799 | 77% | 0.772 | S | S | * | * | trans | -59.8 | 129.6 | 155.3 | -61 | 173.8 | 130.2 | 0 | 0 | 107.7 | ||||
| 609 | H | 25.4 | Very low | 24 | Very low | 182 Ų | 182 | 141 Ų | 141 | 84% | 0.843 | 78% | 0.778 | S | S | * | * | trans | -178.4 | 162.3 | 135.1 | -101 | -69.3 | 0 | 0 | 0 | 110.2 | ||||
| 610 | M | 23.7 | Very low | 24 | Very low | 152 Ų | 152 | 138.3 Ų | 138.3 | 75% | 0.749 | 77% | 0.765 | S | S | * | * | trans | 75 | 53.7 | 174.9 | -54.1 | -173.2 | 68.3 | 0 | 0 | 116.9 | N612 | M610-N612 PolarHBondContact O-N 3.41Å; M610-N612 VanDerWaalsContact O-N 3.17Å | ||
| 611 | F | 22.5 | Very low | 24.1 | Very low | 208 Ų | 208 | 142.9 Ų | 142.9 | 91% | 0.912 | 78% | 0.779 | S | S | * | * | trans | -58.8 | 106 | 135.4 | -86.1 | -90.8 | 0 | 0 | 0 | 109 | ||||
| 612 | N | 26.4 | Very low | 24.3 | Very low | 138 Ų | 138 | 145 Ų | 145 | 74% | 0.738 | 78% | 0.782 | S | S | * | * | trans | -115.4 | 81.1 | 162.9 | -96.8 | -9.7 | 0 | 0 | 0 | 109.3 | M610 | M610-N612 PolarHBondContact O-N 3.41Å; M610-N612 VanDerWaalsContact O-N 3.17Å | ||
| 613 | S | 23.3 | Very low | 24.3 | Very low | 105 Ų | 105 | 141.1 Ų | 141.1 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | trans | -82 | 107.1 | 171.7 | 52.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 614 | S | 23.5 | Very low | 24.5 | Very low | 116 Ų | 116 | 136.1 Ų | 136.1 | 81% | 0.811 | 76% | 0.759 | S | S | * | * | trans | -172.3 | 52.3 | 159.7 | 36.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 615 | G | 25.4 | Very low | 24.7 | Very low | 74 Ų | 74 | 133 Ų | 133 | 76% | 0.763 | 74% | 0.743 | S | S | * | * | trans | -99.3 | 97.9 | 163.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | T617 | G615-T617 PolarHBondContact O-N 3.47Å; G615-T617 VanDerWaalsContact O-N 3.15Å | ||
| 616 | S | 23.5 | Very low | 25.1 | Very low | 112 Ų | 112 | 129.9 Ų | 129.9 | 78% | 0.783 | 72% | 0.72 | S | S | * | * | trans | -62.4 | 115.1 | 179.4 | 56.6 | 0 | 0 | 0 | 0 | 110.6 | K618 | S616-K618 PolarHBondContact O-N 3.49Š| ||
| 617 | T | 22.9 | Very low | 25.1 | Very low | 124 Ų | 124 | 128.6 Ų | 128.6 | 76% | 0.761 | 70% | 0.703 | S | S | * | * | trans | -60.7 | 107.5 | 170.6 | 45.1 | 0 | 0 | 0 | 0 | 109.3 | G615 N619 | G615-T617 PolarHBondContact O-N 3.47Å; G615-T617 VanDerWaalsContact O-N 3.15Å; T617-N619 PolarHBondContact O-N 3.33Å | ||
| 618 | K | 23.4 | Very low | 25.4 | Very low | 170 Ų | 170 | 126.2 Ų | 126.2 | 74% | 0.739 | 68% | 0.684 | S | S | * | * | trans | -64.7 | 115.8 | 159.6 | -75.5 | -175.3 | 172.6 | -174.5 | 0 | 107.1 | S616 D620 | S616-K618 PolarHBondContact O-N 3.49Å; K618-D620 PolarHBondContact O-N 3.07Å | ||
| 619 | N | 24.1 | Very low | 26.3 | Very low | 138 Ų | 138 | 120.2 Ų | 120.2 | 74% | 0.738 | 66% | 0.656 | S | S | * | * | trans | -74.6 | 85.3 | 162.4 | -70.5 | -12.5 | 0 | 0 | 0 | 106.5 | T617 E621 | T617-N619 PolarHBondContact O-N 3.33Å; N619-E621 VanDerWaalsContact C-N 3.27Å; N619-E621 PolarHBondContact O-N 3.04Å | ||
| 620 | D | 25 | Very low | 26.4 | Very low | 120 Ų | 120 | 117.1 Ų | 117.1 | 64% | 0.642 | 65% | 0.646 | S | S | * | * | trans | -70.5 | 91.4 | 168.6 | -66.6 | -34.9 | 0 | 0 | 0 | 107.1 | K618 D622 | K618-D620 PolarHBondContact O-N 3.07Å; D620-D622 PolarHBondContact O-N 3.37Å | ||
| 621 | E | 24.7 | Very low | 27 | Very low | 168 Ų | 168 | 112.4 Ų | 112.4 | 79% | 0.785 | 62% | 0.622 | S | S | * | * | trans | -70.6 | 73.4 | 170.6 | -71.4 | -166.4 | 162.3 | 0 | 0 | 109.6 | N619 T623 | N619-E621 VanDerWaalsContact C-N 3.27Å; N619-E621 PolarHBondContact O-N 3.04Å; E621-T623 PolarHBondContact O-N 3.36Å | ||
| 622 | D | 27.3 | Very low | 27.1 | Very low | 145 Ų | 145 | 106.8 Ų | 106.8 | 78% | 0.775 | 61% | 0.606 | S | S | * | * | trans | -66 | 81.6 | 170.1 | -88.8 | -21.5 | 0 | 0 | 0 | 109.8 | D620 S624 | D620-D622 PolarHBondContact O-N 3.37Å; D622-S624 PolarHBondContact O-N 3.42Å | ||
| 623 | T | 25.3 | Very low | 27.3 | Very low | 116 Ų | 116 | 105.2 Ų | 105.2 | 71% | 0.712 | 60% | 0.597 | S | S | * | * | trans | -69.2 | 77 | 168.8 | 58.1 | 0 | 0 | 0 | 0 | 109.1 | E621 I625 | E621-T623 PolarHBondContact O-N 3.36Å; T623-I625 PolarHBondContact O-N 2.96Å | ||
| 624 | S | 27.6 | Very low | 27.4 | Very low | 69 Ų | 69 | 103.1 Ų | 103.1 | 48% | 0.483 | 59% | 0.585 | S | S | . | * | trans | -62.7 | 107.7 | -178.9 | 53.1 | 0 | 0 | 0 | 0 | 110.5 | D622 V626 | D622-S624 PolarHBondContact O-N 3.42Å; S624-V626 PolarHBondContact O-N 2.8Å | ||
| 625 | I | 26.7 | Very low | 27.8 | Very low | 110 Ų | 110 | 99.8 Ų | 99.8 | 56% | 0.564 | 56% | 0.559 | S | S | * | * | trans | -67.3 | 105.4 | 176.7 | -62.8 | 174.7 | 0 | 0 | 0 | 107.5 | T623 H627 | T623-I625 PolarHBondContact O-N 2.96Å; I625-H627 VanDerWaalsContact C-N 3.31Å; I625-H627 PolarHBondContact O-CD2 3.03Å; I625-H627 PolarHBondContact O-N 3.44Å | ||
| 626 | V | 30 | Very low | 27.9 | Very low | 29 Ų | 29 | 102.3 Ų | 102.3 | 18% | 0.176 | 56% | 0.559 | C | S | . | * | trans | -71 | 90.9 | 175.5 | -177.7 | 0 | 0 | 0 | 0 | 108.3 | S624 R628 F1201 | S624-V626 PolarHBondContact O-N 2.8Å; V626-R628 PolarHBondContact O-N 3.4Å; V626-F1201 HydrophobicContact CG2-CD2 4.05Å; V626-F1201 HydrophobicContact CG2-CG 4.48Å | ||
| 627 | H | 29.3 | Very low | 28.1 | Very low | 95 Ų | 95 | 102.2 Ų | 102.2 | 44% | 0.44 | 55% | 0.55 | S | S | . | . | trans | -60.3 | 104.8 | 174.1 | -70.3 | -75.9 | 0 | 0 | 0 | 109.9 | I625 I629 | I625-H627 VanDerWaalsContact C-N 3.31Å; I625-H627 PolarHBondContact O-CD2 3.03Å; I625-H627 PolarHBondContact O-N 3.44Å; H627-I629 PolarHBondContact O-N 3.3Å | ||
| 628 | R | 32.1 | Very low | 28.3 | Very low | 109 Ų | 109 | 103.8 Ų | 103.8 | 41% | 0.411 | 55% | 0.546 | S | S | . | . | trans | -60.4 | 128.8 | 162.4 | -163.9 | 172 | -166.5 | -174.2 | 1.8 | 106.7 | E378 V626 N630 | E378-R628 IonicContact OE1-NE 3.72Å; V626-R628 PolarHBondContact O-N 3.4Å; R628-N630 WeakPolarHBondContact CD-OD1 3.49Å; R628-N630 PolarHBondContact O-N 3.32Å | ||
| 629 | I | 39.9 | Very low | 28.5 | Very low | 44 Ų | 44 | 99.5 Ų | 99.5 | 23% | 0.226 | 53% | 0.531 | C | S | . | . | trans | -65.9 | 87 | 156.3 | -59.6 | 177.2 | 0 | 0 | 0 | 104.5 | I199 L295 H627 F631 | I199-I629 HydrophobicContact CD1-CG2 4.04Å; L295-I629 HydrophobicContact CD1-CD1 4.39Å; H627-I629 PolarHBondContact O-N 3.3Å; I629-F631 VanDerWaalsContact C-N 3.29Å; I629-F631 HydrophobicContact CB-CE2 4.26Å; I629-F631 HydrophobicContact CB-CZ 4.21Å; I629-F631 HydrophobicContact CG2-CD1 4.2Å; I629-F631 HydrophobicContact CG2-CD2 4.42Å; I629-F631 HydrophobicContact CG2-CE1 3.73Å; I629-F631 HydrophobicContact CG2-CE2 3.96Å; I629-F631 HydrophobicContact CG2-CZ 3.58Å; I629-F631 VanDerWaalsContact O-CD2 3.31Å; I629-F631 WeakPolarHBondContact O-CD2 3.49Å; I629-F631 PolarHBondContact O-N 3.23Å | ||
| 630 | N | 28.9 | Very low | 28.5 | Very low | 118 Ų | 118 | 96.7 Ų | 96.7 | 63% | 0.631 | 52% | 0.522 | S | S | * | . | trans | -62.8 | 102.6 | 169.3 | -81.5 | -28.5 | 0 | 0 | 0 | 104.7 | R628 P632 | R628-N630 WeakPolarHBondContact CD-OD1 3.49Å; R628-N630 PolarHBondContact O-N 3.32Å; N630-P632 WeakPolarHBondContact O-CD 3.08Å | ||
| 631 | F | 34.4 | Very low | 28.4 | Very low | 52 Ų | 52 | 97.1 Ų | 97.1 | 23% | 0.228 | 53% | 0.529 | C | S | . | . | trans | -73.4 | 100.7 | 157.7 | -56.7 | -78.8 | 0 | 0 | 0 | 105.3 | L196 I199 I629 I633 | L196-F631 HydrophobicContact CD2-CE1 3.61Å; L196-F631 HydrophobicContact CD2-CZ 3.54Å; L196-F631 HydrophobicContact CG-CE1 4.21Å; L196-F631 HydrophobicContact CG-CZ 4.44Å; I199-F631 HydrophobicContact CD1-CD1 4.43Å; I199-F631 HydrophobicContact CD1-CE1 3.78Å; I629-F631 VanDerWaalsContact C-N 3.29Å; I629-F631 HydrophobicContact CB-CE2 4.26Å; I629-F631 HydrophobicContact CB-CZ 4.21Å; I629-F631 HydrophobicContact CG2-CD1 4.2Å; I629-F631 HydrophobicContact CG2-CD2 4.42Å; I629-F631 HydrophobicContact CG2-CE1 3.73Å; I629-F631 HydrophobicContact CG2-CE2 3.96Å; I629-F631 HydrophobicContact CG2-CZ 3.58Å; I629-F631 VanDerWaalsContact O-CD2 3.31Å; I629-F631 WeakPolarHBondContact O-CD2 3.49Å; I629-F631 PolarHBondContact O-N 3.23Å; F631-I633 VanDerWaalsContact C-N 3.32Å; F631-I633 PolarHBondContact O-N 3.15Å | ||
| 632 | P | 25.6 | Very low | 28.4 | Very low | 90 Ų | 90 | 95.1 Ų | 95.1 | 58% | 0.584 | 53% | 0.529 | S | S | * | . | trans | -58.2 | 112.7 | 156.4 | 27.9 | -33.1 | 0 | 0 | 0 | 105.2 | K195 N630 A634 | K195-P632 PolarHBondContact NZ-O 3.03Å; N630-P632 WeakPolarHBondContact O-CD 3.08Å; P632-A634 HydrophobicContact CB-CB 4.41Å; P632-A634 PolarHBondContact O-N 3.18Å | ||
| 633 | I | 29.6 | Very low | 28.2 | Very low | 106 Ų | 106 | 95.6 Ų | 95.6 | 54% | 0.544 | 53% | 0.531 | S | S | . | . | trans | -69.6 | 65.3 | 149.1 | -48.8 | 179.9 | 0 | 0 | 0 | 105.6 | W184 F631 D635 | W184-I633 HydrophobicContact CZ3-CD1 4.45Å; F631-I633 VanDerWaalsContact C-N 3.32Å; F631-I633 PolarHBondContact O-N 3.15Å; I633-D635 VanDerWaalsContact CG2-CG 3.44Å; I633-D635 VanDerWaalsContact CG2-OD1 3.27Å; I633-D635 WeakPolarHBondContact CG2-OD1 3.08Å; I633-D635 WeakPolarHBondContact CG2-OD2 3.46Å; I633-D635 PolarHBondContact O-N 3.41Å | ||
| 634 | A | 26.8 | Very low | 28 | Very low | 60 Ų | 60 | 99.1 Ų | 99.1 | 50% | 0.496 | 54% | 0.54 | S | S | . | . | trans | -62 | 84.7 | 145.2 | 0 | 0 | 0 | 0 | 0 | 104.4 | K195 P632 | K195-A634 PolarHBondContact NZ-O 3.04Å; P632-A634 HydrophobicContact CB-CB 4.41Å; P632-A634 PolarHBondContact O-N 3.18Å | ||
| 635 | D | 30.5 | Very low | 27.8 | Very low | 47 Ų | 47 | 101.9 Ų | 101.9 | 25% | 0.251 | 56% | 0.558 | S | S | . | * | trans | -61.3 | 135 | 154.4 | -72.1 | -46.3 | 0 | 0 | 0 | 106.3 | R133 I633 D637 | R133-D635 IonicContact CZ-OD2 3.38Å; R133-D635 IonicContact NH1-OD2 3.83Å; R133-D635 PolarHBondContact NH1-OD2 3Å; R133-D635 IonicContact NH2-OD2 3.32Å; R133-D635 PolarHBondContact NH2-OD2 3.43Å; I633-D635 VanDerWaalsContact CG2-CG 3.44Å; I633-D635 VanDerWaalsContact CG2-OD1 3.27Å; I633-D635 WeakPolarHBondContact CG2-OD1 3.08Å; I633-D635 WeakPolarHBondContact CG2-OD2 3.46Å; I633-D635 PolarHBondContact O-N 3.41Å; D635-D637 PolarHBondContact O-N 3Å | ||
| 636 | T | 28.6 | Very low | 27.6 | Very low | 127 Ų | 127 | 103.3 Ų | 103.3 | 78% | 0.779 | 57% | 0.566 | S | S | * | * | trans | -54.6 | 105.4 | -168.7 | 34.9 | 0 | 0 | 0 | 0 | 112.4 | K638 | T636-K638 PolarHBondContact O-N 3.31Å; T636-K638 VanDerWaalsContact O-N 3.11Å | ||
| 637 | D | 27.1 | Very low | 27.2 | Very low | 109 Ų | 109 | 108.4 Ų | 108.4 | 58% | 0.583 | 60% | 0.598 | S | S | * | * | trans | -59.3 | 112.9 | 177.9 | -80.6 | -48.5 | 0 | 0 | 0 | 110.4 | D635 N639 | D635-D637 PolarHBondContact O-N 3Å; D637-N639 VanDerWaalsContact C-N 3.29Å; D637-N639 PolarHBondContact O-N 3.48Å | ||
| 638 | K | 28.2 | Very low | 26.9 | Very low | 157 Ų | 157 | 112.4 Ų | 112.4 | 68% | 0.683 | 62% | 0.617 | S | S | * | * | trans | -93.2 | 61.5 | 173.6 | -69.2 | -165.9 | 175.9 | -167.3 | 0 | 110.2 | T636 | T636-K638 PolarHBondContact O-N 3.31Å; T636-K638 VanDerWaalsContact O-N 3.11Å | ||
| 639 | N | 26.5 | Very low | 26.5 | Very low | 80 Ų | 80 | 115.2 Ų | 115.2 | 43% | 0.428 | 64% | 0.639 | S | S | . | * | trans | -108.9 | 91.4 | -174.8 | -63.7 | 3 | 0 | 0 | 0 | 110.4 | P137 D637 | P137-N639 WeakPolarHBondContact CA-OD1 3.18Å; P137-N639 HydrophobicContact CB-CB 4.48Å; D637-N639 VanDerWaalsContact C-N 3.29Å; D637-N639 PolarHBondContact O-N 3.48Å | ||
| 640 | S | 24.4 | Very low | 25.6 | Very low | 79 Ų | 79 | 123.8 Ų | 123.8 | 55% | 0.552 | 67% | 0.668 | S | S | * | * | trans | -112.4 | 111 | 164.4 | 59.1 | 0 | 0 | 0 | 0 | 108.7 | T642 | S640-T642 PolarHBondContact O-N 3.04Š| ||
| 641 | V | 23.4 | Very low | 25.3 | Very low | 130 Ų | 130 | 123 Ų | 123 | 79% | 0.788 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 126.4 | 178.7 | 177.2 | 0 | 0 | 0 | 0 | 109.5 | ||
| 642 | T | 24.4 | Very low | 24.7 | Very low | 125 Ų | 125 | 127.5 Ų | 127.5 | 77% | 0.767 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -91.7 | 117.4 | 176.1 | 48.5 | 0 | 0 | 0 | 0 | 109.7 | S640 | S640-T642 PolarHBondContact O-N 3.04Š|
| 643 | N | 22.1 | Very low | 24.5 | Very low | 155 Ų | 155 | 128.4 Ų | 128.4 | 83% | 0.829 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 145.4 | 170.4 | -78.4 | -5.5 | 0 | 0 | 0 | 111.1 | ||
| 644 | E | 22.6 | Very low | 24.2 | Very low | 191 Ų | 191 | 130.3 Ų | 130.3 | 89% | 0.893 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 134.4 | 172.8 | -64.6 | 171.9 | 145 | 0 | 0 | 110.6 | ||
| 645 | C | 22.4 | Very low | 24 | Very low | 127 Ų | 127 | 138.5 Ų | 138.5 | 86% | 0.858 | 74% | 0.744 | S | S | * | * | trans | -155.3 | 109.1 | 147.1 | -161.2 | 0 | 0 | 0 | 0 | 108 | ||||
| 646 | D | 23.3 | Very low | 23.6 | Very low | 139 Ų | 139 | 142.6 Ų | 142.6 | 74% | 0.743 | 76% | 0.76 | S | S | * | * | trans | -67.6 | 142.4 | 170.8 | -68.1 | -65 | 0 | 0 | 0 | 110.6 | ||||
| 647 | T | 21.9 | Very low | 23.3 | Very low | 136 Ų | 136 | 142.7 Ų | 142.7 | 83% | 0.834 | 75% | 0.751 | S | S | * | * | 174.5 | 151.7 | 105.6 | 31.8 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 648 | E | 23.3 | Very low | 23.1 | Very low | 180 Ų | 180 | 141.9 Ų | 141.9 | 84% | 0.841 | 76% | 0.759 | S | S | * | * | trans | -13.7 | 127.2 | 173.2 | -51.3 | -174.9 | 142 | 0 | 0 | 118.8 | ||||
| 649 | L | 22.8 | Very low | 22.7 | Very low | 168 Ų | 168 | 140.6 Ų | 140.6 | 88% | 0.88 | 76% | 0.758 | S | S | * | * | -170 | 154.6 | 109.7 | -101.2 | 164.1 | 0 | 0 | 0 | 114.6 | |||||
| 650 | R | 20.4 | Very low | 22.5 | Very low | 223 Ų | 223 | 140.3 Ų | 140.3 | 84% | 0.842 | 76% | 0.76 | S | S | * | * | trans | -44.8 | 133 | -178.3 | -90.6 | 171 | 164.9 | 161.5 | -5.8 | 116.6 | ||||
| 651 | S | 23.4 | Very low | 22.5 | Very low | 102 Ų | 102 | 144.4 Ų | 144.4 | 71% | 0.713 | 77% | 0.77 | S | S | * | * | trans | 26.1 | 101.1 | 134.9 | 62.7 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 652 | T | 21.7 | Very low | 22.4 | Very low | 146 Ų | 146 | 144.1 Ų | 144.1 | 90% | 0.896 | 77% | 0.769 | S | S | * | * | -152 | 138.6 | 121.1 | 14.6 | 0 | 0 | 0 | 0 | 109.7 | N654 | T652-N654 PolarHBondContact O-N 2.91Š| |||
| 653 | S | 22.3 | Very low | 22.4 | Very low | 110 Ų | 110 | 145.2 Ų | 145.2 | 77% | 0.769 | 77% | 0.77 | S | S | * | * | trans | -77.5 | 110.1 | -179.1 | 50.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 654 | N | 23 | Very low | 22.6 | Very low | 146 Ų | 146 | 144.4 Ų | 144.4 | 78% | 0.781 | 77% | 0.765 | S | S | * | * | trans | 179.5 | 104.3 | 144 | -90.5 | -26.1 | 0 | 0 | 0 | 109.1 | T652 | T652-N654 PolarHBondContact O-N 2.91Š| ||
| 655 | Y | 21.8 | Very low | 22.8 | Very low | 232 Ų | 232 | 141.5 Ų | 141.5 | 91% | 0.91 | 76% | 0.756 | S | S | * | * | trans | -155.8 | 154.9 | 131.8 | -119.9 | -79.2 | 0 | 0 | 0 | 112 | ||||
| 656 | F | 22.6 | Very low | 23.2 | Very low | 133 Ų | 133 | 141 Ų | 141 | 58% | 0.583 | 75% | 0.751 | S | S | * | * | trans | -71 | 165.1 | -163.3 | -104.7 | -117.8 | 0 | 0 | 0 | 115.4 | A658 P825 | F656-A658 PolarHBondContact O-N 2.87Å; F656-P825 HydrophobicContact CE2-CB 3.63Å; F656-P825 HydrophobicContact CE2-CG 3.97Å; F656-P825 HydrophobicContact CZ-CB 3.63Å; F656-P825 HydrophobicContact CZ-CG 3.82Å | ||
| 657 | H | 21.8 | Very low | 23.2 | Very low | 129 Ų | 129 | 140.9 Ų | 140.9 | 60% | 0.597 | 75% | 0.749 | S | S | * | * | trans | -35.8 | 120.5 | 164.4 | -81.2 | -116.4 | 0 | 0 | 0 | 112.9 | I659 | H657-I659 HydrophobicContact CB-CG1 4.42Å; H657-I659 PolarHBondContact O-N 3.29Å | ||
| 658 | A | 22.1 | Very low | 23.2 | Very low | 91 Ų | 91 | 143.6 Ų | 143.6 | 75% | 0.752 | 75% | 0.749 | S | S | * | * | trans | -63 | 89.5 | 152.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | F656 T660 | F656-A658 PolarHBondContact O-N 2.87Å; A658-T660 VanDerWaalsContact C-N 3.3Å; A658-T660 PolarHBondContact O-N 3.35Å | ||
| 659 | I | 21.7 | Very low | 23.2 | Very low | 131 Ų | 131 | 141.1 Ų | 141.1 | 67% | 0.672 | 75% | 0.747 | S | S | * | * | trans | -71 | 95.7 | 154.4 | -65.3 | 173.9 | 0 | 0 | 0 | 105 | H657 E661 | H657-I659 HydrophobicContact CB-CG1 4.42Å; H657-I659 PolarHBondContact O-N 3.29Å; I659-E661 HydrophobicContact CG2-CB 4.21Å; I659-E661 HydrophobicContact CG2-CG 3.83Å; I659-E661 PolarHBondContact O-N 2.87Å | ||
| 660 | T | 22.3 | Very low | 23.2 | Very low | 74 Ų | 74 | 140.7 Ų | 140.7 | 45% | 0.454 | 75% | 0.745 | S | S | . | * | trans | -74.2 | 71.9 | 164.5 | 43.8 | 0 | 0 | 0 | 0 | 109.2 | A658 T662 | A658-T660 VanDerWaalsContact C-N 3.3Å; A658-T660 PolarHBondContact O-N 3.35Å; T660-T662 PolarHBondContact O-N 3.41Å | ||
| 661 | E | 22.4 | Very low | 23.3 | Very low | 165 Ų | 165 | 134.8 Ų | 134.8 | 77% | 0.771 | 74% | 0.737 | S | S | * | * | trans | -76.8 | 99.6 | 150.1 | -84.8 | -177.1 | 166.9 | 0 | 0 | 107.2 | I659 N663 | I659-E661 HydrophobicContact CG2-CB 4.21Å; I659-E661 HydrophobicContact CG2-CG 3.83Å; I659-E661 PolarHBondContact O-N 2.87Å; E661-N663 VanDerWaalsContact C-N 3.26Å; E661-N663 PolarHBondContact O-N 2.95Å | ||
| 662 | T | 22.7 | Very low | 23.2 | Very low | 124 Ų | 124 | 140.7 Ų | 140.7 | 76% | 0.761 | 74% | 0.744 | S | S | * | * | trans | -67.4 | 88.1 | 163.4 | 47.7 | 0 | 0 | 0 | 0 | 108.6 | T660 | T660-T662 PolarHBondContact O-N 3.41Š| ||
| 663 | N | 24.6 | Very low | 23.3 | Very low | 148 Ų | 148 | 141.9 Ų | 141.9 | 79% | 0.791 | 74% | 0.744 | S | S | * | * | trans | -168.7 | 80.9 | 161.1 | -94.7 | -24.6 | 0 | 0 | 0 | 111.1 | E661 | E661-N663 VanDerWaalsContact C-N 3.26Å; E661-N663 PolarHBondContact O-N 2.95Å | ||
| 664 | N | 25.7 | Very low | 23.5 | Very low | 137 Ų | 137 | 143.3 Ų | 143.3 | 73% | 0.733 | 74% | 0.743 | S | S | * | * | trans | -171 | 122 | 162.8 | -89.7 | -52.1 | 0 | 0 | 0 | 104.2 | ||||
| 665 | L | 25.9 | Very low | 23.5 | Very low | 131 Ų | 131 | 143.8 Ų | 143.8 | 69% | 0.686 | 75% | 0.746 | S | S | * | * | cis | -143.2 | 173.7 | 31.8 | -130 | 80.9 | 0 | 0 | 0 | 109.1 | ||||
| 666 | P | 31.8 | Very low | 23.6 | Very low | 116 Ų | 116 | 140.9 Ų | 140.9 | 75% | 0.753 | 75% | 0.745 | S | S | * | * | S | Bend | cis | -120.7 | 141.7 | 45.1 | 8.1 | 16.3 | 0 | 0 | 0 | 116.5 | ||
| 667 | L | 22.8 | Very low | 23.5 | Very low | 136 Ų | 136 | 140.8 Ų | 140.8 | 71% | 0.712 | 76% | 0.755 | S | S | * | * | trans | 65.7 | 84.6 | 151.5 | -62.3 | 162.9 | 0 | 0 | 0 | 117.1 | T669 | L667-T669 VanDerWaalsContact C-N 3.33Å; L667-T669 PolarHBondContact O-N 2.91Å | ||
| 668 | K | 23.1 | Very low | 23.5 | Very low | 193 Ų | 193 | 139 Ų | 139 | 84% | 0.839 | 76% | 0.758 | S | S | * | * | trans | -53.7 | 99.7 | 137.8 | -75.1 | 178.6 | 175.2 | 176.6 | 0 | 109.3 | ||||
| 669 | T | 21.6 | Very low | 23.4 | Very low | 128 Ų | 128 | 142.2 Ų | 142.2 | 79% | 0.785 | 76% | 0.76 | S | S | * | * | trans | -98.4 | 130.1 | 147 | -52.3 | 0 | 0 | 0 | 0 | 107 | L667 | L667-T669 VanDerWaalsContact C-N 3.33Å; L667-T669 PolarHBondContact O-N 2.91Å | ||
| 670 | L | 23.8 | Very low | 23.4 | Very low | 160 Ų | 160 | 140.6 Ų | 140.6 | 84% | 0.838 | 76% | 0.76 | S | S | * | * | trans | -75.4 | 154.8 | -171.4 | -164.6 | 71.4 | 0 | 0 | 0 | 111.6 | ||||
| 671 | S | 22.5 | Very low | 23.4 | Very low | 98 Ų | 98 | 142.1 Ų | 142.1 | 69% | 0.685 | 77% | 0.77 | S | S | * | * | trans | 91.8 | 148.8 | 161 | 84.4 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 672 | R | 22.4 | Very low | 23.4 | Very low | 226 Ų | 226 | 140.4 Ų | 140.4 | 85% | 0.853 | 77% | 0.773 | S | S | * | * | trans | 78.5 | 65.9 | 172.1 | -52.9 | -171.2 | -174.5 | -160.6 | -1 | 116.6 | N674 | R672-N674 VanDerWaalsContact C-N 3.25Å; R672-N674 PolarHBondContact O-N 2.9Å | ||
| 673 | L | 23.2 | Very low | 23.3 | Very low | 171 Ų | 171 | 143.5 Ų | 143.5 | 90% | 0.895 | 78% | 0.776 | S | S | * | * | -46.1 | 99.7 | 123.9 | -106.2 | 160.3 | 0 | 0 | 0 | 109 | |||||
| 674 | N | 25.2 | Very low | 23.2 | Very low | 140 Ų | 140 | 145 Ų | 145 | 75% | 0.749 | 78% | 0.778 | S | S | * | * | trans | 167.1 | 97.3 | 151.8 | -90 | -10.4 | 0 | 0 | 0 | 106 | R672 | R672-N674 VanDerWaalsContact C-N 3.25Å; R672-N674 PolarHBondContact O-N 2.9Å | ||
| 675 | D | 22.9 | Very low | 23 | Very low | 157 Ų | 157 | 147.3 Ų | 147.3 | 84% | 0.84 | 78% | 0.782 | S | S | * | * | -158.4 | 125.7 | 127.6 | -97.1 | -29.5 | 0 | 0 | 0 | 111.2 | T677 | D675-T677 VanDerWaalsContact C-N 3.33Å; D675-T677 PolarHBondContact O-N 2.95Å | |||
| 676 | L | 23.8 | Very low | 22.8 | Very low | 171 Ų | 171 | 146.9 Ų | 146.9 | 90% | 0.895 | 79% | 0.785 | S | S | * | * | trans | -74 | 83.5 | 172.8 | -73.1 | 148.9 | 0 | 0 | 0 | 108.5 | S678 | L676-S678 PolarHBondContact O-N 3.18Š| ||
| 677 | T | 21.9 | Very low | 22.4 | Very low | 130 Ų | 130 | 148.9 Ų | 148.9 | 80% | 0.798 | 78% | 0.784 | S | S | * | * | trans | -77 | 74.1 | 160.2 | 59 | 0 | 0 | 0 | 0 | 109 | D675 I679 | D675-T677 VanDerWaalsContact C-N 3.33Å; D675-T677 PolarHBondContact O-N 2.95Å; T677-I679 PolarHBondContact O-N 2.97Å | ||
| 678 | S | 21.2 | Very low | 22.5 | Very low | 93 Ų | 93 | 149 Ų | 149 | 65% | 0.65 | 78% | 0.784 | S | S | * | * | trans | -53 | 109.9 | 157.2 | 40.7 | 0 | 0 | 0 | 0 | 108.3 | L676 S680 | L676-S678 PolarHBondContact O-N 3.18Å; S678-S680 PolarHBondContact O-N 3.15Å | ||
| 679 | I | 21.2 | Very low | 22.6 | Very low | 158 Ų | 158 | 147.4 Ų | 147.4 | 81% | 0.81 | 79% | 0.785 | S | S | * | * | trans | -70.4 | 84.2 | 155.2 | -59.7 | 179.1 | 0 | 0 | 0 | 105.1 | T677 T681 | T677-I679 PolarHBondContact O-N 2.97Å; I679-T681 VanDerWaalsContact C-N 3.3Å; I679-T681 PolarHBondContact O-N 3.19Å | ||
| 680 | S | 21.7 | Very low | 22.7 | Very low | 96 Ų | 96 | 151 Ų | 151 | 67% | 0.671 | 79% | 0.79 | S | S | * | * | trans | -65 | 94.7 | 168.7 | 39.6 | 0 | 0 | 0 | 0 | 107.6 | S678 P682 | S678-S680 PolarHBondContact O-N 3.15Å; S680-P682 WeakPolarHBondContact O-CD 3.34Å; S680-P682 VanDerWaalsContact O-N 3.14Å | ||
| 681 | T | 20.4 | Very low | 22.7 | Very low | 107 Ų | 107 | 152.2 Ų | 152.2 | 66% | 0.656 | 79% | 0.789 | S | S | * | * | trans | -56.8 | 112.8 | 164.4 | 41.7 | 0 | 0 | 0 | 0 | 108.1 | I679 F683 | I679-T681 VanDerWaalsContact C-N 3.3Å; I679-T681 PolarHBondContact O-N 3.19Å; T681-F683 PolarHBondContact O-N 2.93Å | ||
| 682 | P | 23 | Very low | 22.9 | Very low | 128 Ų | 128 | 154.2 Ų | 154.2 | 83% | 0.831 | 80% | 0.796 | S | S | * | * | trans | -80.6 | 79.3 | -178.1 | 31 | -28.2 | 0 | 0 | 0 | 108.9 | S680 H684 | S680-P682 WeakPolarHBondContact O-CD 3.34Å; S680-P682 VanDerWaalsContact O-N 3.14Å; P682-H684 PolarHBondContact O-N 3.27Å; P682-H684 VanDerWaalsContact O-N 3.09Å | ||
| 683 | F | 20.5 | Very low | 23.1 | Very low | 189 Ų | 189 | 153.7 Ų | 153.7 | 83% | 0.829 | 80% | 0.796 | S | S | * | * | trans | -65 | 99.8 | 154.7 | -100.8 | -92.4 | 0 | 0 | 0 | 107.7 | T681 | T681-F683 PolarHBondContact O-N 2.93Š| ||
| 684 | H | 23.3 | Very low | 23.2 | Very low | 180 Ų | 180 | 154.6 Ų | 154.6 | 83% | 0.833 | 79% | 0.793 | S | S | * | * | -169.7 | 128.1 | 124.7 | -113.7 | -85 | 0 | 0 | 0 | 113.1 | P682 | P682-H684 PolarHBondContact O-N 3.27Å; P682-H684 VanDerWaalsContact O-N 3.09Å | |||
| 685 | K | 21.5 | Very low | 23.2 | Very low | 185 Ų | 185 | 155.4 Ų | 155.4 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | trans | -62.3 | 143.3 | 144.3 | -57.7 | 167.9 | 177 | 175.3 | 0 | 106.3 | ||||
| 686 | T | 22.2 | Very low | 23.4 | Very low | 122 Ų | 122 | 154.6 Ų | 154.6 | 75% | 0.748 | 80% | 0.797 | S | S | * | * | cis | -150.7 | 167.4 | 23.6 | 15.6 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 687 | E | 23.6 | Very low | 23.4 | Very low | 159 Ų | 159 | 157.5 Ų | 157.5 | 74% | 0.743 | 80% | 0.796 | S | S | * | * | cis | -164.5 | 170.2 | 23.9 | -137.1 | 165.2 | -165.9 | 0 | 0 | 110.2 | ||||
| 688 | L | 23.4 | Very low | 23.7 | Very low | 137 Ų | 137 | 160.3 Ų | 160.3 | 72% | 0.717 | 80% | 0.8 | S | S | * | * | trans | 42.2 | 95.5 | 154.1 | -72.7 | 154.3 | 0 | 0 | 0 | 119.8 | ||||
| 689 | N | 24.6 | Very low | 23.8 | Very low | 160 Ų | 160 | 163.9 Ų | 163.9 | 86% | 0.856 | 81% | 0.811 | S | S | * | * | -173.9 | 123.7 | 103.1 | -100.7 | -57 | 0 | 0 | 0 | 113.3 | |||||
| 690 | K | 25.1 | Very low | 24 | Very low | 203 Ų | 203 | 165.7 Ų | 165.7 | 88% | 0.883 | 81% | 0.813 | S | S | * | * | trans | -90.4 | 117.6 | 170.9 | -77.5 | -179.7 | 176.5 | 176 | 0 | 110.5 | ||||
| 691 | K | 24.2 | Very low | 24.2 | Very low | 187 Ų | 187 | 167.1 Ų | 167.1 | 81% | 0.813 | 82% | 0.82 | S | S | * | * | trans | -135.8 | 128.4 | 143.4 | -87.8 | -170.1 | 176.8 | 176.4 | 0 | 110 | ||||
| 692 | V | 26.6 | Very low | 24.3 | Very low | 140 Ų | 140 | 167.8 Ų | 167.8 | 85% | 0.848 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 119.8 | -179.2 | 175 | 0 | 0 | 0 | 0 | 109 | ||
| 693 | Y | 25.5 | Very low | 24.3 | Very low | 214 Ų | 214 | 173.7 Ų | 173.7 | 84% | 0.839 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -94.4 | 126.7 | 167.2 | -79.7 | -84.3 | 0 | 0 | 0 | 110.1 | ||
| 694 | K | 25.4 | Very low | 24.3 | Very low | 191 Ų | 191 | 173.3 Ų | 173.3 | 83% | 0.83 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 130.7 | 171.7 | -81.2 | -179.8 | 172.5 | 177.7 | 0 | 110.2 | ||
| 695 | N | 25.9 | Very low | 24.5 | Very low | 156 Ų | 156 | 170.4 Ų | 170.4 | 83% | 0.834 | 83% | 0.825 | S | S | * | * | trans | 36.4 | 92.5 | 152 | -62.6 | -9.5 | 0 | 0 | 0 | 118.4 | ||||
| 696 | V | 25.8 | Very low | 24.5 | Very low | 140 Ų | 140 | 169 Ų | 169 | 85% | 0.848 | 83% | 0.825 | S | S | * | * | trans | -95.7 | 113.5 | 150.8 | 179.2 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 697 | R | 24.2 | Very low | 24.4 | Very low | 232 Ų | 232 | 169 Ų | 169 | 88% | 0.875 | 83% | 0.825 | S | S | * | * | trans | -68.7 | 132.3 | 171.3 | -85.3 | 179.2 | 168.1 | 171.5 | -4.2 | 109.2 | L699 | R697-L699 PolarHBondContact O-N 3.3Å; R697-L699 VanDerWaalsContact O-N 3.15Å | ||
| 698 | H | 28.6 | Very low | 24.3 | Very low | 190 Ų | 190 | 167.2 Ų | 167.2 | 88% | 0.88 | 83% | 0.828 | S | S | * | * | trans | -61.1 | 115.3 | 172 | -75.4 | -87.9 | 0 | 0 | 0 | 110.9 | ||||
| 699 | L | 24.1 | Very low | 24.3 | Very low | 168 Ų | 168 | 167.9 Ų | 167.9 | 88% | 0.88 | 83% | 0.833 | S | S | * | * | trans | -69.1 | 126.9 | 166.7 | -86 | 149.4 | 0 | 0 | 0 | 109.3 | R697 | R697-L699 PolarHBondContact O-N 3.3Å; R697-L699 VanDerWaalsContact O-N 3.15Å | ||
| 700 | K | 24.6 | Very low | 24.3 | Very low | 195 Ų | 195 | 166.7 Ų | 166.7 | 85% | 0.848 | 83% | 0.831 | S | S | * | * | trans | -68.8 | 126.1 | 171.5 | -70.9 | -179.8 | 175.7 | -180 | 0 | 108.8 | T702 | K700-T702 PolarHBondContact O-N 3.24Š| ||
| 701 | P | 26.7 | Very low | 24.2 | Very low | 127 Ų | 127 | 166 Ų | 166 | 83% | 0.825 | 83% | 0.831 | S | S | * | * | trans | -73.5 | 109.9 | 178.9 | 28.2 | -32.6 | 0 | 0 | 0 | 110.8 | R703 | P701-R703 PolarHBondContact O-N 3.12Š| ||
| 702 | T | 22.3 | Very low | 24.2 | Very low | 121 Ų | 121 | 165.6 Ų | 165.6 | 74% | 0.742 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 123.8 | 167 | 25.7 | 0 | 0 | 0 | 0 | 110.5 | K700 F704 | K700-T702 PolarHBondContact O-N 3.24Å; T702-F704 PolarHBondContact O-N 3.41Å |
| 703 | R | 21.6 | Very low | 24 | Very low | 251 Ų | 251 | 162.2 Ų | 162.2 | 95% | 0.947 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 117 | 168 | -80.1 | 177.5 | 166.9 | 169.6 | -5.5 | 109.4 | P701 | P701-R703 PolarHBondContact O-N 3.12Š|
| 704 | F | 21.6 | Very low | 24 | Very low | 182 Ų | 182 | 157.8 Ų | 157.8 | 80% | 0.798 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -93.7 | 137 | 157.6 | -93.7 | -89.1 | 0 | 0 | 0 | 109.5 | T702 | T702-F704 PolarHBondContact O-N 3.41Š|
| 705 | P | 26.6 | Very low | 23.9 | Very low | 118 Ų | 118 | 158 Ų | 158 | 77% | 0.766 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -81 | 140.4 | -177.2 | 33.1 | -33.6 | 0 | 0 | 0 | 110.6 | ||
| 706 | I | 21.7 | Very low | 24 | Very low | 156 Ų | 156 | 160.4 Ų | 160.4 | 80% | 0.8 | 84% | 0.838 | S | S | * | * | trans | -112.5 | 119.2 | 169.1 | -63.5 | -179.7 | 0 | 0 | 0 | 108.3 | ||||
| 707 | T | 20.8 | Very low | 24.3 | Very low | 122 Ų | 122 | 159.4 Ų | 159.4 | 75% | 0.748 | 83% | 0.834 | S | S | * | * | trans | -60.1 | 128.2 | 174.6 | 39.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 708 | C | 21.7 | Very low | 24.3 | Very low | 121 Ų | 121 | 155.7 Ų | 155.7 | 82% | 0.818 | 83% | 0.831 | S | S | * | * | trans | -89.5 | 112.5 | 166.7 | -65.1 | 0 | 0 | 0 | 0 | 109.5 | T710 | C708-T710 PolarHBondContact O-N 3.29Š| ||
| 709 | N | 22.2 | Very low | 24.2 | Very low | 151 Ų | 151 | 155.3 Ų | 155.3 | 81% | 0.807 | 83% | 0.83 | S | S | * | * | trans | -70.1 | 121.1 | 172.8 | -72.3 | -13.7 | 0 | 0 | 0 | 109.9 | ||||
| 710 | T | 24.4 | Very low | 24.3 | Very low | 135 Ų | 135 | 153.1 Ų | 153.1 | 83% | 0.828 | 82% | 0.819 | S | S | * | * | trans | -87.2 | 107.2 | 171.5 | 46.9 | 0 | 0 | 0 | 0 | 110 | C708 L712 | C708-T710 PolarHBondContact O-N 3.29Å; T710-L712 PolarHBondContact O-N 2.82Å | ||
| 711 | E | 24.1 | Very low | 24.3 | Very low | 188 Ų | 188 | 150.3 Ų | 150.3 | 88% | 0.879 | 82% | 0.822 | S | S | * | * | trans | -82.8 | 101 | 172.6 | -74.4 | -172.4 | 156.2 | 0 | 0 | 111.7 | ||||
| 712 | L | 22.8 | Very low | 24.2 | Very low | 180 Ų | 180 | 152.7 Ų | 152.7 | 94% | 0.942 | 82% | 0.822 | S | S | * | * | trans | 11.3 | 119.5 | 142 | -140.7 | 73.9 | 0 | 0 | 0 | 118.2 | T710 | T710-L712 PolarHBondContact O-N 2.82Š| ||
| 713 | G | 23.6 | Very low | 24.5 | Very low | 68 Ų | 68 | 152 Ų | 152 | 70% | 0.701 | 83% | 0.828 | S | S | * | * | trans | -156.7 | 73.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 714 | S | 25.3 | Very low | 24.7 | Very low | 122 Ų | 122 | 144.1 Ų | 144.1 | 85% | 0.853 | 82% | 0.817 | S | S | * | * | trans | 50.2 | 106 | 163.4 | 58 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 715 | Q | 23 | Very low | 24.8 | Very low | 194 Ų | 194 | 140.2 Ų | 140.2 | 91% | 0.907 | 81% | 0.812 | S | S | * | * | trans | -70.6 | 150.8 | 162.2 | -60 | 159.5 | -39 | 0 | 0 | 112 | ||||
| 716 | K | 27.2 | Very low | 24.7 | Very low | 207 Ų | 207 | 145.6 Ų | 145.6 | 90% | 0.9 | 82% | 0.817 | S | S | * | * | trans | -160.6 | 154.2 | 141.6 | -106.3 | 172.9 | -177.9 | -175.9 | 0 | 109.3 | ||||
| 717 | P | 32.9 | Very low | 25.1 | Very low | 119 Ų | 119 | 144.6 Ų | 144.6 | 77% | 0.773 | 82% | 0.819 | S | S | * | * | -100.3 | 162.9 | -123.5 | 36.4 | -39.7 | 0 | 0 | 0 | 116.7 | |||||
| 718 | L | 23.8 | Very low | 25.2 | Very low | 155 Ų | 155 | 147.8 Ų | 147.8 | 81% | 0.812 | 83% | 0.825 | S | S | * | * | trans | -55.1 | 135.6 | 161.2 | -173.6 | 75.2 | 0 | 0 | 0 | 111.6 | ||||
| 719 | E | 27.7 | Very low | 25.5 | Very low | 182 Ų | 182 | 148.8 Ų | 148.8 | 85% | 0.85 | 83% | 0.828 | S | S | * | * | trans | -133.1 | 148.7 | 156.8 | -93.1 | -172.9 | 167.1 | 0 | 0 | 109.5 | ||||
| 720 | D | 24.7 | Very low | 25.9 | Very low | 122 Ų | 122 | 146.5 Ų | 146.5 | 65% | 0.652 | 83% | 0.829 | S | S | * | * | trans | -81.7 | 151.8 | -158.4 | -59 | -66.8 | 0 | 0 | 0 | 115 | ||||
| 721 | C | 25.2 | Very low | 25.8 | Very low | 136 Ų | 136 | 148 Ų | 148 | 92% | 0.919 | 83% | 0.831 | S | S | * | * | trans | -151 | 84.6 | 146.5 | -101.5 | 0 | 0 | 0 | 0 | 111 | A723 | C721-A723 PolarHBondContact O-N 2.86Š| ||
| 722 | H | 24.1 | Very low | 25.8 | Very low | 177 Ų | 177 | 143.9 Ų | 143.9 | 82% | 0.819 | 82% | 0.823 | S | S | * | * | trans | -67.4 | 121.5 | 162.9 | -79.2 | -95.6 | 0 | 0 | 0 | 110.5 | ||||
| 723 | A | 30.3 | Very low | 25.9 | Very low | 105 Ų | 105 | 141.3 Ų | 141.3 | 87% | 0.868 | 82% | 0.815 | S | S | * | * | trans | -146.2 | 95.4 | 161.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | C721 | C721-A723 PolarHBondContact O-N 2.86Š| ||
| 724 | A | 24.8 | Very low | 26.1 | Very low | 87 Ų | 87 | 145.2 Ų | 145.2 | 72% | 0.719 | 83% | 0.825 | S | S | * | * | trans | -109.9 | 144.5 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 725 | S | 23.9 | Very low | 26 | Very low | 99 Ų | 99 | 144 Ų | 144 | 69% | 0.692 | 82% | 0.817 | S | S | * | * | trans | 78.2 | 158.8 | 149.6 | 84.4 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 726 | R | 25.4 | Very low | 26.1 | Very low | 231 Ų | 231 | 142 Ų | 142 | 87% | 0.872 | 81% | 0.813 | S | S | * | * | trans | 79.5 | 131.8 | 173 | -56.4 | 165.4 | -174.7 | -157 | -1.8 | 113.8 | ||||
| 727 | T | 29.1 | Very low | 26 | Very low | 136 Ų | 136 | 140.5 Ų | 140.5 | 83% | 0.834 | 81% | 0.813 | S | S | * | * | cis | -133.1 | 135.9 | 13.3 | 43.9 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 728 | Q | 23.7 | Very low | 25.5 | Very low | 189 Ų | 189 | 142.7 Ų | 142.7 | 88% | 0.883 | 82% | 0.818 | S | S | * | * | trans | -113.1 | 117.8 | 167.1 | 178.5 | -174.1 | 31.6 | 0 | 0 | 107 | ||||
| 729 | T | 26.7 | Very low | 25.5 | Very low | 142 Ų | 142 | 140.9 Ų | 140.9 | 87% | 0.871 | 82% | 0.815 | S | S | * | * | trans | 168.1 | 119.1 | 155.4 | 35.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 730 | A | 30.1 | Very low | 25.4 | Very low | 102 Ų | 102 | 139.4 Ų | 139.4 | 84% | 0.843 | 81% | 0.812 | S | S | * | * | trans | 169.7 | 83 | 141.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 731 | I | 23.4 | Very low | 25.2 | Very low | 166 Ų | 166 | 140.7 Ų | 140.7 | 85% | 0.851 | 82% | 0.824 | S | S | * | * | trans | -114.7 | 157.4 | 163.5 | -67.4 | 174.2 | 0 | 0 | 0 | 106.4 | ||||
| 732 | S | 23.3 | Very low | 25.1 | Very low | 103 Ų | 103 | 139.1 Ų | 139.1 | 72% | 0.72 | 81% | 0.811 | S | S | * | * | trans | 82.4 | 137.7 | -166.4 | 76.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 733 | T | 25.6 | Very low | 25.1 | Very low | 125 Ų | 125 | 140.3 Ų | 140.3 | 77% | 0.767 | 81% | 0.813 | S | S | * | * | cis | -163 | 142.2 | 1.2 | 12.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 734 | T | 28.1 | Very low | 24.7 | Very low | 151 Ų | 151 | 143 Ų | 143 | 93% | 0.926 | 81% | 0.812 | S | S | * | * | trans | -170.9 | 111.6 | 145.1 | 22.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 735 | S | 22.6 | Very low | 24.6 | Very low | 97 Ų | 97 | 144.4 Ų | 144.4 | 68% | 0.678 | 81% | 0.812 | S | S | * | * | trans | -109.7 | 165.4 | 175.5 | 52.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 736 | N | 24.9 | Very low | 24.5 | Very low | 152 Ų | 152 | 146.3 Ų | 146.3 | 81% | 0.813 | 82% | 0.82 | S | S | * | * | trans | 69.4 | 95.4 | 160.9 | -54.3 | -21.8 | 0 | 0 | 0 | 118.5 | ||||
| 737 | L | 25.9 | Very low | 24.3 | Very low | 175 Ų | 175 | 140.3 Ų | 140.3 | 92% | 0.916 | 81% | 0.813 | S | S | * | * | trans | -150 | 117.5 | 137.8 | -103.7 | 175.2 | 0 | 0 | 0 | 110 | ||||
| 738 | L | 21.5 | Very low | 24 | Very low | 165 Ų | 165 | 140.7 Ų | 140.7 | 86% | 0.864 | 82% | 0.816 | S | S | * | * | trans | -95.7 | 116 | -175.9 | -168.1 | 86.7 | 0 | 0 | 0 | 110.1 | ||||
| 739 | P | 24.7 | Very low | 24.1 | Very low | 116 Ų | 116 | 139.7 Ų | 139.7 | 75% | 0.753 | 82% | 0.815 | S | S | * | * | trans | -91.6 | 120.3 | -179.5 | 0.9 | 18.3 | 0 | 0 | 0 | 112.1 | ||||
| 740 | L | 24.7 | Very low | 24 | Very low | 151 Ų | 151 | 140.3 Ų | 140.3 | 79% | 0.791 | 81% | 0.813 | S | S | * | * | trans | -64.8 | 128.6 | 177 | -146.5 | 80.6 | 0 | 0 | 0 | 111.6 | T742 | L740-T742 PolarHBondContact O-N 3.22Š| ||
| 741 | V | 21.5 | Very low | 24.1 | Very low | 150 Ų | 150 | 140.2 Ų | 140.2 | 91% | 0.909 | 80% | 0.804 | S | S | * | * | trans | -77.9 | 86.3 | 176.5 | -178.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 742 | T | 23.4 | Very low | 24.2 | Very low | 103 Ų | 103 | 139.9 Ų | 139.9 | 63% | 0.632 | 80% | 0.804 | S | S | * | * | trans | -96.5 | 120.5 | 172.3 | -42.1 | 0 | 0 | 0 | 0 | 109.9 | L740 L744 | L740-T742 PolarHBondContact O-N 3.22Å; T742-L744 PolarHBondContact O-N 2.84Å; T742-L744 VanDerWaalsContact O-N 3.15Å | ||
| 743 | K | 23.2 | Very low | 24.3 | Very low | 202 Ų | 202 | 140.5 Ų | 140.5 | 88% | 0.878 | 80% | 0.803 | S | S | * | * | trans | -55.4 | 116.9 | 168.9 | -81.6 | 174.8 | 171.9 | 172.8 | 0 | 109.8 | ||||
| 744 | L | 22.6 | Very low | 24.3 | Very low | 161 Ų | 161 | 139.3 Ų | 139.3 | 84% | 0.843 | 81% | 0.806 | S | S | * | * | trans | -136.6 | 140.2 | 157.4 | -97 | 169.8 | 0 | 0 | 0 | 111 | T742 | T742-L744 PolarHBondContact O-N 2.84Å; T742-L744 VanDerWaalsContact O-N 3.15Å | ||
| 745 | T | 21.7 | Very low | 24.1 | Very low | 117 Ų | 117 | 141.3 Ų | 141.3 | 72% | 0.718 | 80% | 0.802 | S | S | * | * | trans | -89.8 | 140.2 | -169.3 | 44.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 746 | T | 22 | Very low | 24.4 | Very low | 138 Ų | 138 | 142.4 Ų | 142.4 | 85% | 0.847 | 81% | 0.807 | S | S | * | * | trans | 41.2 | 100 | 148.1 | 56.9 | 0 | 0 | 0 | 0 | 118 | ||||
| 747 | S | 22.1 | Very low | 24.5 | Very low | 106 Ų | 106 | 140.2 Ų | 140.2 | 74% | 0.741 | 80% | 0.803 | S | S | * | * | trans | -130.2 | 115.9 | 150.5 | 62.3 | 0 | 0 | 0 | 0 | 110.1 | L749 | S747-L749 PolarHBondContact O-N 3.44Š| ||
| 748 | T | 23.3 | Very low | 24.5 | Very low | 144 Ų | 144 | 136.4 Ų | 136.4 | 88% | 0.883 | 79% | 0.791 | S | S | * | * | trans | -56 | 128 | 170.3 | 44.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 749 | L | 24.9 | Very low | 24.8 | Very low | 167 Ų | 167 | 137.1 Ų | 137.1 | 87% | 0.874 | 80% | 0.795 | S | S | * | * | trans | -122.9 | 124.3 | 165.2 | -82.3 | 169.2 | 0 | 0 | 0 | 110.1 | S747 | S747-L749 PolarHBondContact O-N 3.44Š| ||
| 750 | N | 24 | Very low | 24.9 | Very low | 155 Ų | 155 | 138 Ų | 138 | 83% | 0.829 | 79% | 0.793 | S | S | * | * | trans | -77.8 | 153.1 | -176.8 | -125.3 | -5.6 | 0 | 0 | 0 | 110.7 | ||||
| 751 | P | 32.5 | Very low | 25 | Very low | 100 Ų | 100 | 138.2 Ų | 138.2 | 65% | 0.649 | 80% | 0.795 | S | S | * | * | trans | -87.7 | 130.4 | -176.2 | 33.8 | -31.6 | 0 | 0 | 0 | 112.6 | ||||
| 752 | N | 26.1 | Very low | 25.4 | Very low | 160 Ų | 160 | 134.7 Ų | 134.7 | 86% | 0.856 | 79% | 0.79 | S | S | * | * | trans | -127.2 | 96.8 | 158.2 | -76.9 | -36.5 | 0 | 0 | 0 | 105.9 | ||||
| 753 | V | 24 | Very low | 25.4 | Very low | 116 Ų | 116 | 137.3 Ų | 137.3 | 70% | 0.703 | 80% | 0.798 | S | S | * | * | 57.2 | 89.7 | 83.7 | -174.3 | 0 | 0 | 0 | 0 | 111.9 | K755 | V753-K755 HydrophobicContact CG1-CG 4.42Š| |||
| 754 | A | 27.1 | Very low | 25.5 | Very low | 100 Ų | 100 | 133.2 Ų | 133.2 | 83% | 0.826 | 80% | 0.795 | S | S | * | * | trans | -125.6 | 106.3 | 155.3 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 755 | K | 23.2 | Very low | 25.6 | Very low | 193 Ų | 193 | 134.3 Ų | 134.3 | 84% | 0.839 | 79% | 0.793 | S | S | * | * | trans | -87 | 136.2 | 177.6 | -67.1 | 176.5 | 176.3 | 178.7 | 0 | 109.9 | V753 | V753-K755 HydrophobicContact CG1-CG 4.42Š| ||
| 756 | P | 28.4 | Very low | 25.8 | Very low | 119 Ų | 119 | 137.3 Ų | 137.3 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | trans | -85.1 | 124.3 | 148.7 | 4 | 14.9 | 0 | 0 | 0 | 109.4 | S758 | P756-S758 PolarHBondContact O-N 3.12Š| ||
| 757 | S | 28.4 | Very low | 25.9 | Very low | 106 Ų | 106 | 139.5 Ų | 139.5 | 74% | 0.741 | 79% | 0.794 | S | S | * | * | trans | -39.6 | 120.5 | 160.9 | 40.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 758 | S | 25.5 | Very low | 25.8 | Very low | 95 Ų | 95 | 139.6 Ų | 139.6 | 66% | 0.664 | 79% | 0.794 | S | S | * | * | 56.9 | 103.9 | 89.2 | 71.6 | 0 | 0 | 0 | 0 | 114.4 | P756 | P756-S758 PolarHBondContact O-N 3.12Š| |||
| 759 | L | 27.9 | Very low | 25.9 | Very low | 181 Ų | 181 | 139 Ų | 139 | 95% | 0.948 | 79% | 0.786 | S | S | * | * | trans | -129.6 | 118 | 150.9 | -157.8 | 78.4 | 0 | 0 | 0 | 106.7 | ||||
| 760 | D | 26.3 | Very low | 25.9 | Very low | 134 Ų | 134 | 139.5 Ų | 139.5 | 72% | 0.717 | 78% | 0.784 | S | S | * | * | trans | -90.1 | 164.3 | -169 | -79.2 | -50.9 | 0 | 0 | 0 | 114 | ||||
| 761 | D | 26.2 | Very low | 25.9 | Very low | 155 Ų | 155 | 140.4 Ų | 140.4 | 83% | 0.829 | 78% | 0.783 | S | S | * | * | trans | 62.8 | 125.3 | 153.7 | -70.1 | -30.1 | 0 | 0 | 0 | 121.9 | ||||
| 762 | G | 29.8 | Very low | 25.4 | Very low | 77 Ų | 77 | 146.4 Ų | 146.4 | 79% | 0.794 | 79% | 0.792 | S | S | * | * | trans | 176.1 | 54.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | S764 | G762-S764 PolarHBondContact O-N 2.82Š| ||
| 763 | I | 24.5 | Very low | 25.1 | Very low | 157 Ų | 157 | 149.9 Ų | 149.9 | 81% | 0.805 | 80% | 0.795 | S | S | * | * | trans | -62 | 125.4 | -176.9 | -64 | 169.4 | 0 | 0 | 0 | 111.7 | ||||
| 764 | S | 26 | Very low | 25 | Very low | 116 Ų | 116 | 155.5 Ų | 155.5 | 81% | 0.811 | 80% | 0.804 | S | S | * | * | trans | -147.4 | 112.4 | 149.6 | -170.4 | 0 | 0 | 0 | 0 | 111.7 | G762 | G762-S764 PolarHBondContact O-N 2.82Š| ||
| 765 | K | 24.5 | Very low | 24.7 | Very low | 185 Ų | 185 | 156.7 Ų | 156.7 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | trans | -94.9 | 150.1 | 172.4 | -83.2 | 177.8 | 173 | 171.1 | 0 | 110 | ||||
| 766 | K | 24.3 | Very low | 24.6 | Very low | 179 Ų | 179 | 153.3 Ų | 153.3 | 78% | 0.778 | 80% | 0.796 | S | S | * | * | trans | 75.5 | 127.4 | 175.4 | -50.4 | 171.8 | -179.5 | 177.8 | 0 | 112 | ||||
| 767 | F | 24.2 | Very low | 24.3 | Very low | 185 Ų | 185 | 155.1 Ų | 155.1 | 81% | 0.811 | 80% | 0.795 | S | S | * | * | -138.5 | 135.3 | 50.8 | -91.7 | -93.8 | 0 | 0 | 0 | 114.2 | |||||
| 768 | S | 21.7 | Very low | 24 | Very low | 107 Ų | 107 | 159 Ų | 159 | 75% | 0.748 | 80% | 0.801 | S | S | * | * | trans | -74 | 129.9 | 153.9 | 54.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 769 | N | 24.6 | Very low | 23.9 | Very low | 132 Ų | 132 | 164.4 Ų | 164.4 | 71% | 0.706 | 81% | 0.812 | S | S | * | * | trans | -144.4 | 125.7 | 156.6 | -102.2 | -29.1 | 0 | 0 | 0 | 111.6 | H771 | N769-H771 PolarHBondContact O-N 2.73Š| ||
| 770 | Q | 24.6 | Very low | 23.7 | Very low | 178 Ų | 178 | 162.2 Ų | 162.2 | 83% | 0.832 | 81% | 0.807 | S | S | * | * | trans | -79.5 | 95.8 | -175.8 | -64.9 | 173.2 | -13.8 | 0 | 0 | 110.4 | R772 | Q770-R772 PolarHBondContact O-N 3.33Š| ||
| 771 | H | 24.9 | Very low | 23.6 | Very low | 174 Ų | 174 | 161.4 Ų | 161.4 | 81% | 0.806 | 81% | 0.809 | S | S | * | * | trans | -81.1 | 88 | 169.2 | -80.2 | -69.7 | 0 | 0 | 0 | 111.5 | N769 Y773 | N769-H771 PolarHBondContact O-N 2.73Å; H771-Y773 PolarHBondContact O-N 2.88Å | ||
| 772 | R | 22 | Very low | 23.6 | Very low | 225 Ų | 225 | 158.9 Ų | 158.9 | 85% | 0.849 | 80% | 0.803 | S | S | * | * | trans | -53.1 | 125 | 160.9 | -86.6 | 176.5 | 163.6 | 149.4 | -5.5 | 109.5 | Q770 R774 | Q770-R772 PolarHBondContact O-N 3.33Å; R772-R774 PolarHBondContact O-N 3.45Å | ||
| 773 | Y | 19.6 | Very low | 23.2 | Very low | 234 Ų | 234 | 163.4 Ų | 163.4 | 92% | 0.918 | 80% | 0.804 | S | S | * | * | trans | -57.3 | 119.9 | 163.7 | -79.4 | -100 | 0 | 0 | 0 | 109.6 | H771 | H771-Y773 PolarHBondContact O-N 2.88Š| ||
| 774 | R | 20.6 | Very low | 23.2 | Very low | 233 Ų | 233 | 161.9 Ų | 161.9 | 88% | 0.879 | 80% | 0.804 | S | S | * | * | trans | -130 | 96.5 | 163.2 | -146.5 | 178.1 | -165.2 | -177.3 | 3.7 | 108.8 | R772 V776 | R772-R774 PolarHBondContact O-N 3.45Å; R774-V776 PolarHBondContact O-N 2.91Å | ||
| 775 | T | 20.7 | Very low | 23.1 | Very low | 126 Ų | 126 | 161.3 Ų | 161.3 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | trans | -57.8 | 124.2 | 173.6 | -44.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 776 | V | 21.5 | Very low | 23 | Very low | 121 Ų | 121 | 163.8 Ų | 163.8 | 73% | 0.733 | 81% | 0.806 | S | S | * | * | trans | -118.9 | 115.4 | 165.6 | 176.9 | 0 | 0 | 0 | 0 | 106.8 | R774 | R774-V776 PolarHBondContact O-N 2.91Š| ||
| 777 | E | 21.6 | Very low | 22.9 | Very low | 158 Ų | 158 | 162.1 Ų | 162.1 | 74% | 0.738 | 80% | 0.804 | S | S | * | * | trans | -71 | 128.3 | 174.4 | -64.1 | 168.8 | 145.8 | 0 | 0 | 109 | ||||
| 778 | Q | 22.6 | Very low | 22.8 | Very low | 186 Ų | 186 | 158.9 Ų | 158.9 | 87% | 0.869 | 80% | 0.804 | S | S | * | * | trans | -109.9 | 134.3 | 166.7 | -81.2 | -172.9 | -22.7 | 0 | 0 | 110 | ||||
| 779 | K | 23.1 | Very low | 22.7 | Very low | 209 Ų | 209 | 163.7 Ų | 163.7 | 91% | 0.909 | 81% | 0.808 | S | S | * | * | trans | -78.7 | 143.7 | -173.5 | -70.9 | 176.5 | 174.1 | 177.3 | 0 | 112.1 | ||||
| 780 | T | 25.1 | Very low | 22.7 | Very low | 136 Ų | 136 | 167.5 Ų | 167.5 | 83% | 0.834 | 82% | 0.818 | S | S | * | * | trans | -107.5 | 132.3 | 169.9 | 48.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 781 | P | 23.5 | Very low | 22.6 | Very low | 116 Ų | 116 | 166.1 Ų | 166.1 | 75% | 0.753 | 82% | 0.817 | S | S | * | * | trans | -119.3 | 160.7 | 143.6 | 36.7 | -26.7 | 0 | 0 | 0 | 109.9 | ||||
| 782 | S | 25.4 | Very low | 22.8 | Very low | 102 Ų | 102 | 166.2 Ų | 166.2 | 71% | 0.713 | 82% | 0.815 | S | S | * | * | cis | -166.3 | 143.6 | -12.4 | 42.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 783 | Q | 22.6 | Very low | 23 | Very low | 172 Ų | 172 | 163.4 Ų | 163.4 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | trans | 43.5 | 124.9 | 156.3 | -65.3 | -176.8 | -25.3 | 0 | 0 | 121.6 | ||||
| 784 | P | 24.1 | Very low | 23.3 | Very low | 126 Ų | 126 | 160.8 Ų | 160.8 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | trans | -106 | 132.2 | 140 | 33.9 | -25.9 | 0 | 0 | 0 | 110.9 | ||||
| 785 | S | 23.7 | Very low | 23.5 | Very low | 104 Ų | 104 | 161.6 Ų | 161.6 | 73% | 0.727 | 81% | 0.813 | S | S | * | * | trans | -77.8 | 143.5 | 172.3 | 45 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 786 | Y | 22.7 | Very low | 23.6 | Very low | 237 Ų | 237 | 166.9 Ų | 166.9 | 93% | 0.929 | 82% | 0.819 | S | S | * | * | trans | -141.6 | 126.2 | 159.1 | -115.6 | -86.3 | 0 | 0 | 0 | 110.9 | ||||
| 787 | I | 21.4 | Very low | 23.8 | Very low | 144 Ų | 144 | 165.8 Ų | 165.8 | 74% | 0.738 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -87.6 | 129 | -171.7 | -70.5 | 166.4 | 0 | 0 | 0 | 109.6 | ||
| 788 | S | 22.2 | Very low | 24 | Very low | 116 Ų | 116 | 165.2 Ų | 165.2 | 81% | 0.811 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -87.5 | 124.3 | 173 | 47.8 | 0 | 0 | 0 | 0 | 111.2 | ||
| 789 | Y | 20.2 | Very low | 24.1 | Very low | 209 Ų | 209 | 162.9 Ų | 162.9 | 82% | 0.82 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 126.9 | 167.8 | -91.1 | -98.5 | 0 | 0 | 0 | 110.1 | ||
| 790 | F | 24.3 | Very low | 24.2 | Very low | 212 Ų | 212 | 162 Ų | 162 | 93% | 0.93 | 81% | 0.813 | S | S | * | * | trans | -153.2 | 133.5 | 142.5 | -108 | -71.3 | 0 | 0 | 0 | 110.4 | ||||
| 791 | D | 24.1 | Very low | 24.4 | Very low | 149 Ų | 149 | 157.2 Ų | 157.2 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | trans | -90.9 | 156.4 | -164.4 | -160.8 | 7.9 | 0 | 0 | 0 | 113.6 | ||||
| 792 | K | 28.7 | Very low | 24.6 | Very low | 175 Ų | 175 | 155.6 Ų | 155.6 | 76% | 0.761 | 77% | 0.768 | S | S | * | * | trans | -89.6 | 119 | -172.4 | -64.8 | 157.1 | -177.9 | 159.3 | 0 | 110.4 | ||||
| 793 | N | 26.6 | Very low | 25.2 | Very low | 167 Ų | 167 | 151.8 Ų | 151.8 | 89% | 0.893 | 74% | 0.741 | S | S | * | * | trans | -130.5 | 113.3 | 154 | -99.5 | -48.8 | 0 | 0 | 0 | 112.5 | ||||
| 794 | K | 26 | Very low | 26.2 | Very low | 179 Ų | 179 | 144.3 Ų | 144.3 | 78% | 0.778 | 71% | 0.707 | S | S | * | * | trans | -79.8 | 120.1 | -176.1 | -64.3 | 166.6 | -179.7 | 166.4 | 0 | 109.9 | ||||
| 795 | R | 23.8 | Very low | 27.1 | Very low | 249 Ų | 249 | 138.8 Ų | 138.8 | 94% | 0.94 | 67% | 0.671 | S | S | * | * | trans | -117.6 | 104.2 | 148.4 | -78.5 | -170.3 | 173.8 | -176.3 | -1 | 109.2 | S797 | R795-S797 PolarHBondContact O-N 2.7Š| ||
| 796 | R | 23.2 | Very low | 27.8 | Very low | 238 Ų | 238 | 140 Ų | 140 | 90% | 0.898 | 66% | 0.66 | S | S | * | * | trans | -75.7 | 105.6 | 171.7 | -75.3 | 174.2 | 166 | 172.2 | -7.8 | 108.1 | ||||
| 797 | S | 24.9 | Very low | 28.8 | Very low | 98 Ų | 98 | 130.2 Ų | 130.2 | 69% | 0.685 | 62% | 0.623 | S | S | * | * | trans | -111.3 | 107.1 | 163.1 | 58.7 | 0 | 0 | 0 | 0 | 109 | R795 L799 | R795-S797 PolarHBondContact O-N 2.7Å; S797-L799 PolarHBondContact O-N 3.45Å | ||
| 798 | T | 25.4 | Very low | 29.9 | Very low | 146 Ų | 146 | 124.4 Ų | 124.4 | 90% | 0.896 | 59% | 0.593 | S | S | * | * | trans | -72.8 | 86.8 | 174.8 | 43.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 799 | L | 24.9 | Very low | 30.9 | Very low | 136 Ų | 136 | 120.1 Ų | 120.1 | 71% | 0.712 | 56% | 0.561 | S | S | * | * | trans | -88.8 | 127.7 | 166.1 | -111.5 | 78 | 0 | 0 | 0 | 109.7 | S797 | S797-L799 PolarHBondContact O-N 3.45Š| ||
| 800 | K | 24.9 | Very low | 31.8 | Very low | 191 Ų | 191 | 117.8 Ų | 117.8 | 83% | 0.83 | 56% | 0.555 | S | S | * | * | trans | -65.8 | 145.8 | 168.6 | -69.2 | -179.1 | 174.4 | -177.2 | 0 | 109.7 | D802 | K800-D802 PolarHBondContact O-N 3.08Š| ||
| 801 | V | 30 | Very low | 32.3 | Very low | 35 Ų | 35 | 112.8 Ų | 112.8 | 21% | 0.212 | 53% | 0.53 | C | S | . | . | trans | -90.8 | 83.5 | -173.6 | -177.6 | 0 | 0 | 0 | 0 | 110.2 | F807 R1052 | V801-F807 HydrophobicContact CB-CE2 4.4Å; V801-F807 HydrophobicContact CG1-CD1 4.17Å; V801-F807 HydrophobicContact CG1-CD2 3.65Å; V801-F807 HydrophobicContact CG1-CE1 4.06Å; V801-F807 HydrophobicContact CG1-CE2 3.53Å; V801-F807 HydrophobicContact CG1-CG 3.95Å; V801-F807 HydrophobicContact CG1-CZ 3.72Å; V801-F807 HydrophobicContact CG2-CE2 3.9Å; V801-F807 HydrophobicContact CG2-CZ 4.29Å; V801-R1052 PolarHBondContact O-NH1 3.43Å; V801-R1052 VanDerWaalsContact O-NH1 3.1Å | ||
| 802 | D | 26.9 | Very low | 32.9 | Very low | 83 Ų | 83 | 106.8 Ų | 106.8 | 44% | 0.444 | 50% | 0.498 | S | S | . | . | trans | -109.2 | 144 | 166.7 | -67.6 | -51.6 | 0 | 0 | 0 | 110.7 | K800 R1052 | K800-D802 PolarHBondContact O-N 3.08Å; D802-R1052 IonicContact OD1-CZ 2.65Å; D802-R1052 IonicContact OD1-NH1 3.7Å; D802-R1052 PolarHBondContact OD1-NH1 2.95Å; D802-R1052 IonicContact OD1-NH2 3.82Å; D802-R1052 PolarHBondContact OD1-NH2 3.39Å | ||
| 803 | C | 38.8 | Very low | 33.2 | Very low | 21 Ų | 21 | 102.8 Ų | 102.8 | 14% | 0.142 | 49% | 0.488 | C | S | . | . | trans | 77.4 | 90.2 | -176.7 | -57 | 0 | 0 | 0 | 0 | 117.6 | Y806 F807 | C803-Y806 PolarHBondContact O-N 3.49Å; C803-F807 WeakPolarHBondContact O-CB 3.45Å; C803-F807 PolarHBondContact O-N 2.96Å | ||
| 804 | L | 43.5 | Very low | 33.6 | Very low | 16 Ų | 16 | 99.5 Ų | 99.5 | 8% | 0.084 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -49.4 | -52.1 | 174.2 | 174.1 | 69.9 | 0 | 0 | 0 | 115.7 | I464 Y806 F807 L808 L1056 | I464-L804 HydrophobicContact CB-CD2 4.49Å; I464-L804 HydrophobicContact CD1-CD2 3.41Å; I464-L804 VanDerWaalsContact CD1-CD2 3.41Å; I464-L804 HydrophobicContact CG1-CB 4.48Å; I464-L804 HydrophobicContact CG1-CD2 3.86Å; I464-L804 HydrophobicContact CG2-CB 3.77Å; I464-L804 HydrophobicContact CG2-CD2 3.83Å; I464-L804 HydrophobicContact CG2-CG 4.29Å; L804-Y806 PolarHBondContact O-N 3.02Å; L804-F807 WeakPolarHBondContact O-CA 3.13Å; L804-F807 WeakPolarHBondContact O-CB 3.47Å; L804-F807 PolarHBondContact O-N 2.97Å; L804-L808 HydrophobicContact CD1-CD1 3.53Å; L804-L808 HydrophobicContact CD1-CG 3.64Å; L804-L808 HydrophobicContact CD2-CD1 4.22Å; L804-L808 HydrophobicContact CG-CD1 3.9Å; L804-L808 HydrophobicContact CG-CG 4.32Å; L804-L808 PolarHBondContact O-N 2.87Å; L804-L1056 HydrophobicContact CB-CD2 3.88Å; L804-L1056 HydrophobicContact CD1-CB 4.01Å; L804-L1056 HydrophobicContact CD1-CD1 3.51Å; L804-L1056 HydrophobicContact CD1-CD2 3.39Å; L804-L1056 HydrophobicContact CD1-CG 3.75Å; L804-L1056 HydrophobicContact CD2-CD2 3.35Å; L804-L1056 HydrophobicContact CG-CD2 3.66Å |
| 805 | P | 43.7 | Very low | 34.1 | Very low | 10 Ų | 10 | 95.8 Ų | 95.8 | 7% | 0.065 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -63.1 | -45 | -168.5 | -20.6 | 34.9 | 0 | 0 | 0 | 107.8 | I464 F465 F807 M809 | I464-P805 VanDerWaalsContact CG2-CD 3.48Å; I464-P805 HydrophobicContact CG2-CG 3.38Å; F465-P805 HydrophobicContact CD1-CG 3.94Å; F465-P805 HydrophobicContact CE1-CB 4.13Å; F465-P805 HydrophobicContact CE1-CG 3.76Å; P805-F807 VanDerWaalsContact C-N 3.32Å; P805-F807 PolarHBondContact O-N 3.37Å; P805-M809 HydrophobicContact CB-SD 4.2Å; P805-M809 WeakPolarHBondContact O-CB 3.31Å; P805-M809 WeakPolarHBondContact O-CG 3.3Å; P805-M809 PolarHBondContact O-N 3.48Å |
| 806 | Y | 38.7 | Very low | 34.7 | Very low | 128 Ų | 128 | 92.6 Ų | 92.6 | 50% | 0.502 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -67 | -26.5 | 173.6 | -119.9 | -81.5 | 0 | 0 | 0 | 114.1 | C803 L804 M809 K810 | C803-Y806 PolarHBondContact O-N 3.49Å; L804-Y806 PolarHBondContact O-N 3.02Å; Y806-M809 HydrophobicContact CD2-CE 4.18Å; Y806-M809 HydrophobicContact CE2-CE 4.12Å; Y806-K810 HydrophobicContact CD1-CB 4.44Å; Y806-K810 WeakPolarHBondContact O-CA 3.49Å; Y806-K810 WeakPolarHBondContact O-CB 3.13Å; Y806-K810 PolarHBondContact O-N 3.17Å |
| 807 | F | 42.1 | Very low | 35.3 | Very low | 32 Ų | 32 | 86.5 Ų | 86.5 | 14% | 0.14 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -72.9 | -50.5 | 175 | -178.8 | -113.8 | 0 | 0 | 0 | 112.1 | V801 C803 L804 P805 M809 K810 W811 L1017 L1020 | V801-F807 HydrophobicContact CB-CE2 4.4Å; V801-F807 HydrophobicContact CG1-CD1 4.17Å; V801-F807 HydrophobicContact CG1-CD2 3.65Å; V801-F807 HydrophobicContact CG1-CE1 4.06Å; V801-F807 HydrophobicContact CG1-CE2 3.53Å; V801-F807 HydrophobicContact CG1-CG 3.95Å; V801-F807 HydrophobicContact CG1-CZ 3.72Å; V801-F807 HydrophobicContact CG2-CE2 3.9Å; V801-F807 HydrophobicContact CG2-CZ 4.29Å; C803-F807 WeakPolarHBondContact O-CB 3.45Å; C803-F807 PolarHBondContact O-N 2.96Å; L804-F807 WeakPolarHBondContact O-CA 3.13Å; L804-F807 WeakPolarHBondContact O-CB 3.47Å; L804-F807 PolarHBondContact O-N 2.97Å; P805-F807 VanDerWaalsContact C-N 3.32Å; P805-F807 PolarHBondContact O-N 3.37Å; F807-M809 VanDerWaalsContact C-N 3.32Å; F807-M809 PolarHBondContact O-N 2.88Å; F807-K810 PolarHBondContact O-N 3.15Å; F807-W811 PolarHBondContact O-N 3.05Å; F807-W811 VanDerWaalsContact O-N 3.12Å; F807-L1017 HydrophobicContact CE1-CD2 4.46Å; F807-L1020 HydrophobicContact CE1-CD1 3.71Å; F807-L1020 HydrophobicContact CE2-CD1 4.36Å; F807-L1020 HydrophobicContact CE2-CD2 4.3Å; F807-L1020 HydrophobicContact CZ-CB 4.41Å; F807-L1020 HydrophobicContact CZ-CD1 3.54Å; F807-L1020 HydrophobicContact CZ-CD2 3.84Å; F807-L1020 HydrophobicContact CZ-CG 4.12Å |
| 808 | L | 45.6 | Very low | 35.4 | Very low | 23 Ų | 23 | 85.7 Ų | 85.7 | 12% | 0.12 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -60.9 | -41.5 | 172.1 | -80.3 | 174.8 | 0 | 0 | 0 | 111.8 | P336 L804 N812 I1013 L1017 L1060 | P336-L808 HydrophobicContact CB-CD1 4.42Å; L804-L808 HydrophobicContact CD1-CD1 3.53Å; L804-L808 HydrophobicContact CD1-CG 3.64Å; L804-L808 HydrophobicContact CD2-CD1 4.22Å; L804-L808 HydrophobicContact CG-CD1 3.9Å; L804-L808 HydrophobicContact CG-CG 4.32Å; L804-L808 PolarHBondContact O-N 2.87Å; L808-N812 WeakPolarHBondContact O-CB 3.25Å; L808-N812 PolarHBondContact O-N 3.2Å; L808-I1013 HydrophobicContact CD2-CG2 3.97Å; L808-L1017 HydrophobicContact CD2-CD1 4.01Å; L808-L1017 HydrophobicContact CD2-CD2 3.78Å; L808-L1017 HydrophobicContact CD2-CG 3.84Å; L808-L1060 HydrophobicContact CD1-CD1 4.01Å; L808-L1060 HydrophobicContact CD1-CD2 4.15Å; L808-L1060 HydrophobicContact CD1-CG 4.34Å; L808-L1060 HydrophobicContact CD2-CD1 4.31Å |
| 809 | M | 43.6 | Very low | 35.4 | Very low | 26 Ų | 26 | 85.7 Ų | 85.7 | 13% | 0.128 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -65.3 | -54.3 | 175.9 | -71 | 163.3 | 44.4 | 0 | 0 | 110.9 | L342 P805 Y806 F807 W811 N812 | L342-M809 VanDerWaalsContact CD1-C 3.48Å; L342-M809 VanDerWaalsContact CD1-CA 3.45Å; L342-M809 HydrophobicContact CD1-CB 3.61Å; L342-M809 HydrophobicContact CD1-CG 4.12Å; L342-M809 WeakPolarHBondContact CD1-O 3.44Å; L342-M809 HydrophobicContact CD2-CB 3.8Å; L342-M809 HydrophobicContact CD2-CE 3.87Å; L342-M809 HydrophobicContact CD2-CG 3.49Å; L342-M809 VanDerWaalsContact CD2-CG 3.49Å; L342-M809 HydrophobicContact CD2-SD 4.18Å; L342-M809 HydrophobicContact CG-CB 4.24Å; L342-M809 HydrophobicContact CG-CG 4.41Å; P805-M809 HydrophobicContact CB-SD 4.2Å; P805-M809 WeakPolarHBondContact O-CB 3.31Å; P805-M809 WeakPolarHBondContact O-CG 3.3Å; P805-M809 PolarHBondContact O-N 3.48Å; Y806-M809 HydrophobicContact CD2-CE 4.18Å; Y806-M809 HydrophobicContact CE2-CE 4.12Å; F807-M809 VanDerWaalsContact C-N 3.32Å; F807-M809 PolarHBondContact O-N 2.88Å; M809-W811 PolarHBondContact O-N 2.69Å; M809-W811 VanDerWaalsContact O-N 3.15Å; M809-N812 WeakPolarHBondContact O-CB 3.12Å; M809-N812 PolarHBondContact O-N 3.3Å |
| 810 | K | 38 | Very low | 35.4 | Very low | 159 Ų | 159 | 85.2 Ų | 85.2 | 69% | 0.691 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -68.1 | -17.8 | -174.1 | -167.1 | 175.7 | -174.4 | -179.8 | 0 | 113.9 | Y806 F807 | Y806-K810 HydrophobicContact CD1-CB 4.44Å; Y806-K810 WeakPolarHBondContact O-CA 3.49Å; Y806-K810 WeakPolarHBondContact O-CB 3.13Å; Y806-K810 PolarHBondContact O-N 3.17Å; F807-K810 PolarHBondContact O-N 3.15Å |
| 811 | W | 34.9 | Very low | 35.5 | Very low | 107 Ų | 107 | 82.1 Ų | 82.1 | 41% | 0.405 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | 7.8 | 170.3 | -97.2 | 49.9 | 0 | 0 | 0 | 114.4 | F807 M809 V813 L1020 | F807-W811 PolarHBondContact O-N 3.05Å; F807-W811 VanDerWaalsContact O-N 3.12Å; M809-W811 PolarHBondContact O-N 2.69Å; M809-W811 VanDerWaalsContact O-N 3.15Å; W811-V813 PolarHBondContact O-N 3.17Å; W811-L1020 HydrophobicContact CD2-CD1 4.36Å; W811-L1020 HydrophobicContact CD2-CD2 4.32Å; W811-L1020 HydrophobicContact CE3-CD1 3.88Å; W811-L1020 HydrophobicContact CE3-CD2 4.01Å; W811-L1020 HydrophobicContact CE3-CG 4.05Å; W811-L1020 HydrophobicContact CH2-CD2 3.85Å; W811-L1020 HydrophobicContact CH2-CG 4.48Å; W811-L1020 HydrophobicContact CZ2-CD2 4.17Å; W811-L1020 HydrophobicContact CZ3-CD1 4.27Å; W811-L1020 HydrophobicContact CZ3-CD2 3.77Å; W811-L1020 HydrophobicContact CZ3-CG 3.92Å |
| 812 | N | 36.2 | Very low | 35.4 | Very low | 24 Ų | 24 | 89.1 Ų | 89.1 | 13% | 0.128 | 45% | 0.453 | C | S | . | . | trans | -74.4 | 70.1 | 169.5 | -155.7 | 28.4 | 0 | 0 | 0 | 109.6 | L342 L808 M809 Y1009 | L342-N812 HydrophobicContact CD1-CB 3.67Å; L808-N812 WeakPolarHBondContact O-CB 3.25Å; L808-N812 PolarHBondContact O-N 3.2Å; M809-N812 WeakPolarHBondContact O-CB 3.12Å; M809-N812 PolarHBondContact O-N 3.3Å; N812-Y1009 PolarHBondContact ND2-OH 3.19Å; N812-Y1009 VanDerWaalsContact OD1-CE2 3.24Å; N812-Y1009 WeakPolarHBondContact OD1-CE2 3.33Å | ||
| 813 | V | 35.9 | Very low | 35.4 | Very low | 90 Ų | 90 | 93 Ų | 93 | 55% | 0.545 | 47% | 0.468 | S | S | . | . | trans | -53.8 | 124.9 | 172.4 | -179.7 | 0 | 0 | 0 | 0 | 107 | W811 Y815 | W811-V813 PolarHBondContact O-N 3.17Å; V813-Y815 PolarHBondContact O-N 3.2Å; V813-Y815 VanDerWaalsContact O-N 3.15Å | ||
| 814 | P | 34.8 | Very low | 34.7 | Very low | 99 Ų | 99 | 97.5 Ų | 97.5 | 64% | 0.643 | 50% | 0.5 | S | S | * | . | trans | -57.8 | 125.4 | -176.5 | 21.9 | -32.8 | 0 | 0 | 0 | 109.2 | Q816 | P814-Q816 PolarHBondContact O-N 3.09Š| ||
| 815 | Y | 36.2 | Very low | 33.9 | Very low | 100 Ų | 100 | 100.6 Ų | 100.6 | 39% | 0.392 | 52% | 0.521 | S | S | . | . | trans | -59.6 | 95.4 | -175.6 | 176 | -98.8 | 0 | 0 | 0 | 110.5 | V813 K817 P1008 | V813-Y815 PolarHBondContact O-N 3.2Å; V813-Y815 VanDerWaalsContact O-N 3.15Å; Y815-K817 HydrophobicContact CD1-CB 4.21Å; Y815-K817 HydrophobicContact CE1-CB 3.74Å; Y815-K817 HydrophobicContact CE1-CD 4.41Å; Y815-K817 HydrophobicContact CE1-CG 3.96Å; Y815-K817 PolarHBondContact O-N 3.29Å; Y815-P1008 HydrophobicContact CE2-CB 4.27Å | ||
| 816 | Q | 36.5 | Very low | 33.2 | Very low | 182 Ų | 182 | 110 Ų | 110 | 85% | 0.85 | 56% | 0.561 | S | S | * | * | trans | -75.2 | 93.9 | 171 | -74.7 | -173.7 | -12.4 | 0 | 0 | 107.9 | P814 A818 | P814-Q816 PolarHBondContact O-N 3.09Å; Q816-A818 PolarHBondContact O-N 3.04Å; Q816-A818 VanDerWaalsContact O-N 3.13Å | ||
| 817 | K | 35.2 | Very low | 32.5 | Very low | 111 Ų | 111 | 111.8 Ų | 111.8 | 48% | 0.483 | 58% | 0.578 | S | S | . | * | trans | -54.1 | 117.6 | 176.1 | -168.4 | 164.9 | -172.8 | 164.7 | 0 | 109.2 | E311 Y815 I819 | E311-K817 PolarHBondContact O-NZ 3.37Å; Y815-K817 HydrophobicContact CD1-CB 4.21Å; Y815-K817 HydrophobicContact CE1-CB 3.74Å; Y815-K817 HydrophobicContact CE1-CD 4.41Å; Y815-K817 HydrophobicContact CE1-CG 3.96Å; Y815-K817 PolarHBondContact O-N 3.29Å; K817-I819 PolarHBondContact O-N 2.86Å | ||
| 818 | A | 26.9 | Very low | 31.7 | Very low | 81 Ų | 81 | 116.4 Ų | 116.4 | 67% | 0.669 | 61% | 0.609 | S | S | * | * | trans | -58.2 | 111.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | Q816 T820 | Q816-A818 PolarHBondContact O-N 3.04Å; Q816-A818 VanDerWaalsContact O-N 3.13Å; A818-T820 PolarHBondContact O-N 3.15Å | ||
| 819 | I | 25.9 | Very low | 31 | Very low | 145 Ų | 145 | 121.1 Ų | 121.1 | 74% | 0.744 | 64% | 0.644 | S | S | * | * | trans | -74.4 | 96 | -176.2 | -56.3 | 178.1 | 0 | 0 | 0 | 107.8 | K817 T821 | K817-I819 PolarHBondContact O-N 2.86Å; I819-T821 VanDerWaalsContact C-N 3.26Å; I819-T821 HydrophobicContact CG2-CG2 3.99Å; I819-T821 PolarHBondContact O-N 2.83Å | ||
| 820 | T | 26.1 | Very low | 30.2 | Very low | 127 Ų | 127 | 128.5 Ų | 128.5 | 78% | 0.779 | 68% | 0.679 | S | S | * | * | trans | -71.8 | 83 | 170.3 | 41.2 | 0 | 0 | 0 | 0 | 109.7 | A818 K822 | A818-T820 PolarHBondContact O-N 3.15Å; T820-K822 PolarHBondContact O-N 3.21Å | ||
| 821 | T | 26.5 | Very low | 29.5 | Very low | 126 Ų | 126 | 128.8 Ų | 128.8 | 77% | 0.773 | 69% | 0.688 | S | S | * | * | trans | -60.6 | 107.2 | 174.7 | 47.5 | 0 | 0 | 0 | 0 | 110.3 | I819 | I819-T821 VanDerWaalsContact C-N 3.26Å; I819-T821 HydrophobicContact CG2-CG2 3.99Å; I819-T821 PolarHBondContact O-N 2.83Å | ||
| 822 | K | 26.8 | Very low | 29 | Very low | 182 Ų | 182 | 132 Ų | 132 | 79% | 0.791 | 71% | 0.711 | S | S | * | * | trans | -73 | 139.3 | 176.6 | -75.7 | -176.9 | 174 | 176.6 | 0 | 111.7 | T820 | T820-K822 PolarHBondContact O-N 3.21Š| ||
| 823 | H | 27.8 | Very low | 28.3 | Very low | 164 Ų | 164 | 140 Ų | 140 | 76% | 0.759 | 75% | 0.745 | S | S | * | * | trans | 68.4 | 86.5 | 164.8 | -56.5 | -60.1 | 0 | 0 | 0 | 117.7 | ||||
| 824 | S | 24.3 | Very low | 27.7 | Very low | 115 Ų | 115 | 143.7 Ų | 143.7 | 80% | 0.804 | 76% | 0.76 | S | S | * | * | trans | -72.6 | 131.4 | 152.2 | 45 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 825 | P | 27 | Very low | 27.2 | Very low | 81 Ų | 81 | 144.7 Ų | 144.7 | 53% | 0.526 | 76% | 0.764 | S | S | . | * | trans | -76.3 | 138.6 | 174.7 | 25.9 | -29.1 | 0 | 0 | 0 | 112.3 | F656 L827 | F656-P825 HydrophobicContact CE2-CB 3.63Å; F656-P825 HydrophobicContact CE2-CG 3.97Å; F656-P825 HydrophobicContact CZ-CB 3.63Å; F656-P825 HydrophobicContact CZ-CG 3.82Å; P825-L827 PolarHBondContact O-N 3.42Å | ||
| 826 | K | 28.2 | Very low | 26.5 | Very low | 208 Ų | 208 | 147.7 Ų | 147.7 | 90% | 0.904 | 79% | 0.787 | S | S | * | * | trans | -70.1 | 106.9 | 169.9 | -68.4 | -179.2 | 175.5 | -176 | 0 | 109.7 | ||||
| 827 | L | 24 | Very low | 25.8 | Very low | 165 Ų | 165 | 144.7 Ų | 144.7 | 86% | 0.864 | 78% | 0.782 | S | S | * | * | trans | -85.5 | 137.4 | 168.7 | -147 | 78.2 | 0 | 0 | 0 | 109.7 | P825 | P825-L827 PolarHBondContact O-N 3.42Š| ||
| 828 | T | 26.4 | Very low | 25.3 | Very low | 130 Ų | 130 | 148.9 Ų | 148.9 | 80% | 0.798 | 80% | 0.8 | S | S | * | * | trans | -92 | 159 | -174.3 | 41.1 | 0 | 0 | 0 | 0 | 113.3 | E830 | T828-E830 PolarHBondContact O-N 3.13Š| ||
| 829 | S | 29 | Very low | 25.1 | Very low | 122 Ų | 122 | 152.9 Ų | 152.9 | 85% | 0.853 | 81% | 0.808 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.6 | 44.7 | -149.4 | 62.6 | 0 | 0 | 0 | 0 | 117.2 | ||
| 830 | E | 27 | Very low | 24.9 | Very low | 181 Ų | 181 | 152.7 Ų | 152.7 | 85% | 0.846 | 81% | 0.809 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.9 | -15.1 | -178.1 | -75.1 | -170.5 | 139.4 | 0 | 0 | 116.1 | T828 L832 | T828-E830 PolarHBondContact O-N 3.13Å; E830-L832 PolarHBondContact O-N 3.42Å |
| 831 | N | 24.1 | Very low | 24.8 | Very low | 165 Ų | 165 | 154.8 Ų | 154.8 | 88% | 0.882 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -100.7 | 32.4 | -173.6 | -70.3 | -5.9 | 0 | 0 | 0 | 115.1 | ||
| 832 | L | 24.1 | Very low | 24.6 | Very low | 173 Ų | 173 | 154.9 Ų | 154.9 | 91% | 0.906 | 81% | 0.81 | S | S | * | * | trans | -125.7 | 67.8 | 176 | -95.9 | 165.8 | 0 | 0 | 0 | 112.5 | E830 | E830-L832 PolarHBondContact O-N 3.42Š| ||
| 833 | K | 22.2 | Very low | 24.5 | Very low | 192 Ų | 192 | 153.3 Ų | 153.3 | 84% | 0.835 | 81% | 0.81 | S | S | * | * | trans | -139.1 | 143.4 | 157 | -75.9 | -174.8 | 177.6 | 176 | 0 | 108.1 | ||||
| 834 | I | 22.2 | Very low | 24.1 | Very low | 168 Ų | 168 | 153.7 Ų | 153.7 | 86% | 0.862 | 81% | 0.812 | S | S | * | * | trans | 72.2 | 117.6 | -175.5 | -45.6 | 155.7 | 0 | 0 | 0 | 109.7 | ||||
| 835 | V | 25.4 | Very low | 24.1 | Very low | 121 Ų | 121 | 157 Ų | 157 | 73% | 0.733 | 82% | 0.815 | S | S | * | * | cis | -128.5 | 141.9 | 29.8 | 175.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 836 | N | 21 | Very low | 23.8 | Very low | 163 Ų | 163 | 156.9 Ų | 156.9 | 87% | 0.872 | 82% | 0.821 | S | S | * | * | trans | -145.4 | 107.1 | 173 | -144.3 | -0.4 | 0 | 0 | 0 | 109.8 | ||||
| 837 | T | 22.8 | Very low | 23.6 | Very low | 119 Ų | 119 | 154.1 Ų | 154.1 | 73% | 0.73 | 81% | 0.814 | S | S | * | * | trans | -162.9 | 102.1 | 178.5 | 12.3 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 838 | K | 24.2 | Very low | 23.4 | Very low | 199 Ų | 199 | 155.4 Ų | 155.4 | 87% | 0.865 | 81% | 0.809 | S | S | * | * | 67.9 | 91.6 | 78.6 | -79.4 | -161.2 | 173.2 | -172.7 | 0 | 116.4 | |||||
| 839 | I | 21.4 | Very low | 23.3 | Very low | 165 Ų | 165 | 158.5 Ų | 158.5 | 85% | 0.846 | 81% | 0.812 | S | S | * | * | trans | -154.2 | 114.6 | 144.4 | -54.8 | -176.1 | 0 | 0 | 0 | 103.7 | ||||
| 840 | N | 23.1 | Very low | 22.9 | Very low | 141 Ų | 141 | 158.9 Ų | 158.9 | 75% | 0.754 | 80% | 0.804 | S | S | * | * | cis | 79.6 | 99.1 | 31.8 | -156.4 | 45.7 | 0 | 0 | 0 | 115 | ||||
| 841 | L | 23.9 | Very low | 22.8 | Very low | 171 Ų | 171 | 157.8 Ų | 157.8 | 90% | 0.895 | 81% | 0.805 | S | S | * | * | trans | -161.1 | 142.2 | 159.4 | -106 | 171.2 | 0 | 0 | 0 | 110.8 | ||||
| 842 | N | 21.4 | Very low | 22.8 | Very low | 128 Ų | 128 | 157.7 Ų | 157.7 | 68% | 0.684 | 80% | 0.799 | S | S | * | * | trans | -98.6 | 171.7 | -173.9 | -63.9 | -21.8 | 0 | 0 | 0 | 112.9 | ||||
| 843 | N | 24.6 | Very low | 22.7 | Very low | 148 Ų | 148 | 161.1 Ų | 161.1 | 79% | 0.791 | 80% | 0.8 | S | S | * | * | trans | 142.7 | 98.4 | 145.6 | -71.2 | 0.1 | 0 | 0 | 0 | 108.3 | ||||
| 844 | E | 20.9 | Very low | 22.9 | Very low | 173 Ų | 173 | 159.6 Ų | 159.6 | 81% | 0.808 | 80% | 0.801 | S | S | * | * | 71.1 | 125.4 | 71.6 | -75.9 | -167.9 | 162.1 | 0 | 0 | 115.9 | |||||
| 845 | E | 23 | Very low | 23.1 | Very low | 183 Ų | 183 | 155 Ų | 155 | 86% | 0.855 | 79% | 0.788 | S | S | * | * | trans | 66.3 | 145.3 | 160.7 | -61.2 | -175.6 | 167.4 | 0 | 0 | 120.3 | ||||
| 846 | A | 21.8 | Very low | 23.1 | Very low | 79 Ų | 79 | 159.3 Ų | 159.3 | 65% | 0.653 | 80% | 0.796 | S | S | * | * | cis | -171 | 179 | -22.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 847 | I | 23.9 | Very low | 23.4 | Very low | 150 Ų | 150 | 159.7 Ų | 159.7 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | trans | 78.1 | 95.5 | 161.2 | -51.7 | 166.4 | 0 | 0 | 0 | 115.6 | ||||
| 848 | Y | 20 | Very low | 23.6 | Very low | 193 Ų | 193 | 163.8 Ų | 163.8 | 76% | 0.757 | 80% | 0.801 | S | S | * | * | 62.6 | 109.9 | 85.9 | -89.4 | -95.1 | 0 | 0 | 0 | 116.3 | |||||
| 849 | F | 23.4 | Very low | 23.7 | Very low | 194 Ų | 194 | 157.4 Ų | 157.4 | 85% | 0.851 | 79% | 0.792 | S | S | * | * | -170.2 | 146.2 | 94.9 | -114.6 | -86.2 | 0 | 0 | 0 | 111.9 | |||||
| 850 | N | 21.1 | Very low | 23.8 | Very low | 130 Ų | 130 | 159.7 Ų | 159.7 | 70% | 0.695 | 80% | 0.796 | S | S | * | * | trans | -75.7 | 152.1 | 173 | -62.1 | -46.9 | 0 | 0 | 0 | 110.6 | ||||
| 851 | D | 24.5 | Very low | 24 | Very low | 159 Ų | 159 | 161.8 Ų | 161.8 | 85% | 0.85 | 80% | 0.798 | S | S | * | * | -164.3 | 153.5 | 114 | -104.6 | -15.8 | 0 | 0 | 0 | 114.4 | |||||
| 852 | E | 23.6 | Very low | 24.2 | Very low | 163 Ų | 163 | 157.1 Ų | 157.1 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | trans | -63 | 135.6 | -164.8 | -54.4 | 178.9 | 141 | 0 | 0 | 114.8 | ||||
| 853 | R | 22.6 | Very low | 24.6 | Very low | 245 Ų | 245 | 156.9 Ų | 156.9 | 93% | 0.925 | 78% | 0.778 | S | S | * | * | trans | -151.5 | 92.1 | 145.9 | -123.2 | 169.1 | -101.5 | -163.2 | -4.5 | 111.4 | A855 | R853-A855 PolarHBondContact O-N 2.7Å; R853-A855 VanDerWaalsContact O-N 3.09Å | ||
| 854 | N | 25.6 | Very low | 24.8 | Very low | 160 Ų | 160 | 155.4 Ų | 155.4 | 86% | 0.856 | 77% | 0.77 | S | S | * | * | trans | -50.4 | 113.2 | 179.9 | -89.8 | -56.7 | 0 | 0 | 0 | 112.1 | K856 | N854-K856 PolarHBondContact O-N 2.85Š| ||
| 855 | A | 26.6 | Very low | 25.3 | Very low | 71 Ų | 71 | 152 Ų | 152 | 59% | 0.587 | 76% | 0.757 | S | S | * | * | trans | -77.9 | 123.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | R853 Q857 | R853-A855 PolarHBondContact O-N 2.7Å; R853-A855 VanDerWaalsContact O-N 3.09Å; A855-Q857 HydrophobicContact CB-CB 4.29Å; A855-Q857 HydrophobicContact CB-CG 4.03Å; A855-Q857 PolarHBondContact O-N 3.04Å | ||
| 856 | K | 26.2 | Very low | 25.5 | Very low | 211 Ų | 211 | 149.1 Ų | 149.1 | 92% | 0.917 | 75% | 0.745 | S | S | * | * | trans | -70 | 59.5 | 153.7 | -75.2 | -178.6 | 176.5 | 173.4 | 0 | 109.9 | N854 K858 | N854-K856 PolarHBondContact O-N 2.85Å; K856-K858 PolarHBondContact O-N 3.2Å | ||
| 857 | Q | 26.1 | Very low | 25.8 | Very low | 172 Ų | 172 | 154 Ų | 154 | 80% | 0.804 | 75% | 0.748 | S | S | * | * | trans | -72.6 | 111.5 | 173.3 | -97 | -175 | 13.5 | 0 | 0 | 109.5 | A855 G859 | A855-Q857 HydrophobicContact CB-CB 4.29Å; A855-Q857 HydrophobicContact CB-CG 4.03Å; A855-Q857 PolarHBondContact O-N 3.04Å; Q857-G859 PolarHBondContact O-N 3.32Å | ||
| 858 | K | 27.4 | Very low | 26.1 | Very low | 204 Ų | 204 | 150.7 Ų | 150.7 | 89% | 0.887 | 74% | 0.738 | S | S | * | * | trans | -64.1 | 83.3 | 167.7 | -69.9 | 172.6 | 175.9 | 172.8 | 0 | 108.7 | K856 F860 | K856-K858 PolarHBondContact O-N 3.2Å; K858-F860 PolarHBondContact O-N 2.94Å | ||
| 859 | G | 25.8 | Very low | 26.6 | Very low | 66 Ų | 66 | 144.6 Ų | 144.6 | 68% | 0.68 | 72% | 0.724 | S | S | * | * | trans | -60.7 | 120.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q857 K861 | Q857-G859 PolarHBondContact O-N 3.32Å; G859-K861 PolarHBondContact O-N 3.41Å | ||
| 860 | F | 24.9 | Very low | 27.2 | Very low | 213 Ų | 213 | 144.4 Ų | 144.4 | 93% | 0.934 | 72% | 0.722 | S | S | * | * | trans | -59.6 | 107.2 | 171.5 | -82.1 | -109.9 | 0 | 0 | 0 | 109.3 | K858 S862 | K858-F860 PolarHBondContact O-N 2.94Å; F860-S862 PolarHBondContact O-N 3.04Å | ||
| 861 | K | 27.8 | Very low | 27.9 | Very low | 184 Ų | 184 | 146.4 Ų | 146.4 | 80% | 0.8 | 73% | 0.725 | S | S | * | * | trans | -72 | 127.2 | 167.3 | -80.2 | -170.4 | 172.7 | -175.8 | 0 | 109.3 | G859 | G859-K861 PolarHBondContact O-N 3.41Š| ||
| 862 | S | 28 | Very low | 28.1 | Very low | 73 Ų | 73 | 145 Ų | 145 | 51% | 0.51 | 71% | 0.711 | S | S | . | * | trans | -46.3 | 144.8 | 174.1 | -175.8 | 0 | 0 | 0 | 0 | 111.8 | F860 D864 N865 | F860-S862 PolarHBondContact O-N 3.04Å; S862-D864 PolarHBondContact O-N 2.88Å; S862-D864 VanDerWaalsContact O-N 3.08Å; S862-D864 PolarHBondContact OG-OD2 3.19Å; S862-N865 PolarHBondContact O-N 2.86Å | ||
| 863 | I | 29.8 | Very low | 28.4 | Very low | 124 Ų | 124 | 144.7 Ų | 144.7 | 64% | 0.636 | 71% | 0.708 | S | S | * | * | G | 310 helix | trans | -60.9 | -18.4 | -177.7 | -71.7 | 173 | 0 | 0 | 0 | 112.2 | N865 M866 | I863-N865 PolarHBondContact O-N 3Å; I863-N865 VanDerWaalsContact O-N 3.1Å; I863-M866 WeakPolarHBondContact O-CB 3.5Å; I863-M866 PolarHBondContact O-N 3.06Å |
| 864 | D | 28.3 | Very low | 28.9 | Very low | 117 Ų | 117 | 136.6 Ų | 136.6 | 63% | 0.626 | 69% | 0.689 | S | S | * | * | G | 310 helix | trans | -59 | -23.6 | 176.8 | -54.6 | -52 | 0 | 0 | 0 | 114 | S862 | S862-D864 PolarHBondContact O-N 2.88Å; S862-D864 VanDerWaalsContact O-N 3.08Å; S862-D864 PolarHBondContact OG-OD2 3.19Å |
| 865 | N | 30.2 | Very low | 29.2 | Very low | 102 Ų | 102 | 136.7 Ų | 136.7 | 55% | 0.545 | 68% | 0.678 | S | S | . | * | G | 310 helix | trans | -87.3 | 1.6 | 175 | -87.3 | -54.3 | 0 | 0 | 0 | 114.4 | S862 I863 S868 | S862-N865 PolarHBondContact O-N 2.86Å; I863-N865 PolarHBondContact O-N 3Å; I863-N865 VanDerWaalsContact O-N 3.1Å; N865-S868 PolarHBondContact O-OG 3.13Å |
| 866 | M | 28 | Very low | 29.3 | Very low | 121 Ų | 121 | 138.2 Ų | 138.2 | 60% | 0.596 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -75.9 | -23.6 | -178.2 | -134 | 169.9 | 67.6 | 0 | 0 | 113.1 | I863 | I863-M866 WeakPolarHBondContact O-CB 3.5Å; I863-M866 PolarHBondContact O-N 3.06Å |
| 867 | Y | 27.2 | Very low | 29.2 | Very low | 182 Ų | 182 | 136.4 Ų | 136.4 | 71% | 0.714 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -92.2 | -10.3 | -179.5 | -66.1 | -78.8 | 0 | 0 | 0 | 115 | ||
| 868 | S | 31.3 | Very low | 29.2 | Very low | 81 Ų | 81 | 138.6 Ų | 138.6 | 57% | 0.566 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -87.3 | -5.4 | 172.4 | 66.6 | 0 | 0 | 0 | 0 | 113.6 | N865 K870 | N865-S868 PolarHBondContact O-OG 3.13Å; S868-K870 PolarHBondContact O-N 3.36Å |
| 869 | S | 30.7 | Very low | 29.2 | Very low | 65 Ų | 65 | 136.5 Ų | 136.5 | 46% | 0.455 | 66% | 0.664 | S | S | . | * | trans | -63.4 | 125.4 | -175.9 | -176 | 0 | 0 | 0 | 0 | 112.7 | K871 F872 | S869-K871 PolarHBondContact O-N 3.36Å; S869-F872 PolarHBondContact O-N 2.86Å | ||
| 870 | K | 35.9 | Very low | 29.2 | Very low | 189 Ų | 189 | 142.8 Ų | 142.8 | 82% | 0.822 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -53.2 | -18.5 | -176.9 | -68.4 | -177.5 | 178 | -179.7 | 0 | 114.5 | S868 F872 K873 | S868-K870 PolarHBondContact O-N 3.36Å; K870-F872 PolarHBondContact O-N 3.39Å; K870-K873 PolarHBondContact O-N 3.08Å |
| 871 | K | 34.6 | Very low | 29.2 | Very low | 173 Ų | 173 | 139 Ų | 139 | 75% | 0.752 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -71.2 | -18.9 | 175.9 | -105.7 | 178.5 | 178 | 172.7 | 0 | 115.3 | S869 S874 | S869-K871 PolarHBondContact O-N 3.36Å; K871-S874 PolarHBondContact O-OG 3.4Å |
| 872 | F | 28.9 | Very low | 29.1 | Very low | 128 Ų | 128 | 138.9 Ų | 138.9 | 56% | 0.561 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -81.6 | -34.1 | 171.9 | -156.3 | -98.9 | 0 | 0 | 0 | 111.4 | S869 K870 S874 Y875 L876 | S869-F872 PolarHBondContact O-N 2.86Å; K870-F872 PolarHBondContact O-N 3.39Å; F872-S874 PolarHBondContact O-N 3.07Å; F872-Y875 PolarHBondContact O-N 3.16Å; F872-L876 HydrophobicContact CD1-CD1 3.95Å; F872-L876 HydrophobicContact CE1-CD1 4.06Å; F872-L876 PolarHBondContact O-N 3.1Å |
| 873 | K | 30.8 | Very low | 28.9 | Very low | 158 Ų | 158 | 144.5 Ų | 144.5 | 69% | 0.687 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -60.9 | -24.2 | 175.4 | -75 | -168.5 | 173.6 | -173.3 | 0 | 113.8 | K870 Y875 L876 K877 | K870-K873 PolarHBondContact O-N 3.08Å; K873-Y875 VanDerWaalsContact C-N 3.32Å; K873-Y875 PolarHBondContact O-N 3.11Å; K873-L876 PolarHBondContact O-N 2.91Å; K873-K877 PolarHBondContact O-N 3.45Å; K873-K877 VanDerWaalsContact O-N 3.08Å |
| 874 | S | 33.7 | Very low | 28.6 | Very low | 75 Ų | 75 | 149.1 Ų | 149.1 | 52% | 0.524 | 69% | 0.69 | S | S | . | * | H | α-helix | trans | -70.1 | -25.3 | 174.6 | 63.5 | 0 | 0 | 0 | 0 | 113.7 | K871 F872 | K871-S874 PolarHBondContact O-OG 3.4Å; F872-S874 PolarHBondContact O-N 3.07Å |
| 875 | Y | 31.1 | Very low | 28.4 | Very low | 161 Ų | 161 | 153 Ų | 153 | 63% | 0.631 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -80.7 | -29.4 | 173.2 | -76.1 | -83.4 | 0 | 0 | 0 | 112.3 | F872 K873 | F872-Y875 PolarHBondContact O-N 3.16Å; K873-Y875 VanDerWaalsContact C-N 3.32Å; K873-Y875 PolarHBondContact O-N 3.11Å |
| 876 | L | 28.2 | Very low | 28.1 | Very low | 104 Ų | 104 | 154.6 Ų | 154.6 | 55% | 0.545 | 71% | 0.709 | S | S | . | * | H | α-helix | trans | -79.7 | -14 | 174.3 | -80.5 | 159.9 | 0 | 0 | 0 | 113.9 | F872 K873 Y878 | F872-L876 HydrophobicContact CD1-CD1 3.95Å; F872-L876 HydrophobicContact CE1-CD1 4.06Å; F872-L876 PolarHBondContact O-N 3.1Å; K873-L876 PolarHBondContact O-N 2.91Å; L876-Y878 PolarHBondContact O-N 2.82Å |
| 877 | K | 25.6 | Very low | 27.9 | Very low | 173 Ų | 173 | 155.3 Ų | 155.3 | 75% | 0.752 | 72% | 0.715 | S | S | * | * | trans | -76 | 18 | -179.5 | -141.5 | -175.3 | -177.8 | -172.6 | 0 | 115 | K873 E879 | K873-K877 PolarHBondContact O-N 3.45Å; K873-K877 VanDerWaalsContact O-N 3.08Å; K877-E879 PolarHBondContact O-N 3.07Å | ||
| 878 | Y | 25.3 | Very low | 27.7 | Very low | 218 Ų | 218 | 155.1 Ų | 155.1 | 86% | 0.855 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -89.1 | 62.2 | 152.5 | -84.3 | -81 | 0 | 0 | 0 | 109.3 | L876 | L876-Y878 PolarHBondContact O-N 2.82Š|
| 879 | E | 27.5 | Very low | 27.3 | Very low | 159 Ų | 159 | 156 Ų | 156 | 74% | 0.743 | 73% | 0.725 | S | S | * | * | trans | -59.8 | 149.5 | 174 | -76.2 | -169.9 | 134 | 0 | 0 | 111.1 | K877 V881 | K877-E879 PolarHBondContact O-N 3.07Å; E879-V881 PolarHBondContact O-N 2.89Å | ||
| 880 | K | 25.8 | Very low | 27 | Very low | 198 Ų | 198 | 160.4 Ų | 160.4 | 86% | 0.861 | 74% | 0.743 | S | S | * | * | trans | -36.2 | 112.1 | 178.7 | -66.2 | 170.6 | 179.1 | 173.5 | 0 | 111.1 | K882 | K880-K882 PolarHBondContact O-N 2.72Š| ||
| 881 | V | 25.4 | Very low | 26.4 | Very low | 134 Ų | 134 | 159.7 Ų | 159.7 | 81% | 0.812 | 74% | 0.743 | S | S | * | * | trans | -62.5 | 89.2 | 168.4 | 179.9 | 0 | 0 | 0 | 0 | 108.1 | E879 K883 | E879-V881 PolarHBondContact O-N 2.89Å; V881-K883 PolarHBondContact O-N 3.18Å; V881-K883 VanDerWaalsContact O-N 3.13Å | ||
| 882 | K | 24.9 | Very low | 26 | Very low | 181 Ų | 181 | 161.2 Ų | 161.2 | 79% | 0.787 | 75% | 0.749 | S | S | * | * | trans | -51.2 | 121.5 | 160.6 | -82.3 | -178.5 | 174.8 | 173.7 | 0 | 105.3 | K880 R884 | K880-K882 PolarHBondContact O-N 2.72Å; K882-R884 PolarHBondContact O-N 3.44Å | ||
| 883 | K | 24.5 | Very low | 25.7 | Very low | 192 Ų | 192 | 164.6 Ų | 164.6 | 84% | 0.835 | 76% | 0.764 | S | S | * | * | trans | -65.5 | 70.2 | 179.4 | -70.8 | 175.6 | 177.5 | 168.9 | 0 | 110.4 | V881 K885 | V881-K883 PolarHBondContact O-N 3.18Å; V881-K883 VanDerWaalsContact O-N 3.13Å; K883-K885 PolarHBondContact O-N 3.47Å | ||
| 884 | R | 23.2 | Very low | 25.4 | Very low | 220 Ų | 220 | 162.6 Ų | 162.6 | 83% | 0.83 | 77% | 0.77 | S | S | * | * | trans | -61.3 | 125.9 | 164.6 | -77.5 | -175.9 | 169.4 | 169.6 | -3.1 | 106.5 | K882 I886 | K882-R884 PolarHBondContact O-N 3.44Å; R884-I886 VanDerWaalsContact C-N 3.31Å; R884-I886 PolarHBondContact O-N 2.84Å | ||
| 885 | K | 24.2 | Very low | 24.9 | Very low | 199 Ų | 199 | 166.2 Ų | 166.2 | 87% | 0.865 | 78% | 0.782 | S | S | * | * | trans | -62.6 | 98 | 165.8 | -80.6 | 174 | 173 | 175.8 | 0 | 106.7 | K883 N887 | K883-K885 PolarHBondContact O-N 3.47Å; K885-N887 PolarHBondContact O-N 3.09Å; K885-N887 VanDerWaalsContact O-N 3.09Å | ||
| 886 | I | 22.9 | Very low | 24.5 | Very low | 135 Ų | 135 | 166.3 Ų | 166.3 | 69% | 0.692 | 79% | 0.793 | S | S | * | * | trans | -72.5 | 101.6 | 167.4 | -60.6 | 174.4 | 0 | 0 | 0 | 105.8 | R884 | R884-I886 VanDerWaalsContact C-N 3.31Å; R884-I886 PolarHBondContact O-N 2.84Å | ||
| 887 | N | 24 | Very low | 24.3 | Very low | 137 Ų | 137 | 168.6 Ų | 168.6 | 73% | 0.733 | 81% | 0.805 | S | S | * | * | trans | -69.6 | 127.9 | 162.2 | -77.1 | -11.7 | 0 | 0 | 0 | 106.9 | K885 S889 | K885-N887 PolarHBondContact O-N 3.09Å; K885-N887 VanDerWaalsContact O-N 3.09Å; N887-S889 PolarHBondContact O-N 3.26Å; N887-S889 VanDerWaalsContact O-N 3.08Å | ||
| 888 | F | 22.4 | Very low | 24.2 | Very low | 177 Ų | 177 | 166.8 Ų | 166.8 | 78% | 0.776 | 81% | 0.809 | S | S | * | * | trans | -76.2 | 95.3 | 178.6 | -77.1 | -99.4 | 0 | 0 | 0 | 109.6 | ||||
| 889 | S | 23.6 | Very low | 24.1 | Very low | 100 Ų | 100 | 163 Ų | 163 | 70% | 0.699 | 81% | 0.808 | S | S | * | * | trans | -78.5 | 120 | 158.3 | 44.2 | 0 | 0 | 0 | 0 | 108.6 | N887 E891 | N887-S889 PolarHBondContact O-N 3.26Å; N887-S889 VanDerWaalsContact O-N 3.08Å; S889-E891 PolarHBondContact O-N 3.31Å | ||
| 890 | N | 24.2 | Very low | 23.8 | Very low | 157 Ų | 157 | 164.5 Ų | 164.5 | 84% | 0.84 | 82% | 0.815 | S | S | * | * | trans | -72.9 | 94.3 | 179.2 | -76.2 | -24.7 | 0 | 0 | 0 | 110.7 | ||||
| 891 | E | 23.8 | Very low | 23.7 | Very low | 174 Ų | 174 | 162.4 Ų | 162.4 | 81% | 0.813 | 81% | 0.812 | S | S | * | * | trans | -83.8 | 131.6 | 163.2 | -71.1 | -170.8 | 157.3 | 0 | 0 | 110.5 | S889 F893 | S889-E891 PolarHBondContact O-N 3.31Å; E891-F893 PolarHBondContact O-N 3.15Å | ||
| 892 | K | 25.7 | Very low | 23.7 | Very low | 206 Ų | 206 | 161.8 Ų | 161.8 | 90% | 0.896 | 81% | 0.811 | S | S | * | * | trans | -83.6 | 113.9 | -173.8 | -65.7 | 171.6 | 180 | 172.5 | 0 | 109 | S894 | K892-S894 PolarHBondContact O-N 2.93Š| ||
| 893 | F | 23.6 | Very low | 23.6 | Very low | 199 Ų | 199 | 164 Ų | 164 | 87% | 0.873 | 82% | 0.816 | S | S | * | * | trans | -63.4 | 123.6 | 167.3 | -81 | -92.3 | 0 | 0 | 0 | 110.1 | E891 | E891-F893 PolarHBondContact O-N 3.15Š| ||
| 894 | S | 23.2 | Very low | 23.7 | Very low | 115 Ų | 115 | 162.5 Ų | 162.5 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | trans | -68.7 | 125.4 | 171.3 | 36.7 | 0 | 0 | 0 | 0 | 109.9 | K892 L896 | K892-S894 PolarHBondContact O-N 2.93Å; S894-L896 PolarHBondContact O-N 2.92Å | ||
| 895 | I | 24.3 | Very low | 23.7 | Very low | 151 Ų | 151 | 159.2 Ų | 159.2 | 77% | 0.774 | 82% | 0.816 | S | S | * | * | trans | -79.2 | 113.6 | 174.6 | -63.5 | 171.3 | 0 | 0 | 0 | 107.3 | N897 | I895-N897 PolarHBondContact O-N 3.49Š| ||
| 896 | L | 22.9 | Very low | 23.8 | Very low | 164 Ų | 164 | 157.1 Ų | 157.1 | 86% | 0.859 | 81% | 0.814 | S | S | * | * | trans | -66.9 | 120.3 | 169.9 | -92.8 | 152.2 | 0 | 0 | 0 | 109.2 | S894 T898 | S894-L896 PolarHBondContact O-N 2.92Å; L896-T898 PolarHBondContact O-N 2.95Å | ||
| 897 | N | 24.1 | Very low | 23.9 | Very low | 152 Ų | 152 | 158 Ų | 158 | 81% | 0.813 | 83% | 0.826 | S | S | * | * | trans | -68.2 | 113.5 | 179.5 | -72.8 | -36.7 | 0 | 0 | 0 | 110.3 | I895 T899 | I895-N897 PolarHBondContact O-N 3.49Å; N897-T899 PolarHBondContact O-N 3.19Å | ||
| 898 | T | 23 | Very low | 23.7 | Very low | 135 Ų | 135 | 159.5 Ų | 159.5 | 83% | 0.828 | 83% | 0.831 | S | S | * | * | trans | -75.9 | 115.2 | 167.8 | 17.6 | 0 | 0 | 0 | 0 | 110 | L896 Q900 | L896-T898 PolarHBondContact O-N 2.95Å; T898-Q900 PolarHBondContact O-N 3.27Å | ||
| 899 | T | 23.2 | Very low | 23.8 | Very low | 137 Ų | 137 | 156.6 Ų | 156.6 | 84% | 0.84 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 125 | 177.9 | 10.8 | 0 | 0 | 0 | 0 | 111.2 | N897 I901 | N897-T899 PolarHBondContact O-N 3.19Å; T899-I901 PolarHBondContact O-N 3.2Å |
| 900 | Q | 21.8 | Very low | 23.8 | Very low | 191 Ų | 191 | 158.1 Ų | 158.1 | 89% | 0.893 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 119.9 | 174.9 | -66.7 | 176.5 | -56.3 | 0 | 0 | 109.7 | T898 | T898-Q900 PolarHBondContact O-N 3.27Š|
| 901 | I | 22.4 | Very low | 23.7 | Very low | 154 Ų | 154 | 158.9 Ų | 158.9 | 79% | 0.79 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -95.7 | 126.9 | 166.2 | -60.9 | 179.1 | 0 | 0 | 0 | 107.3 | T899 | T899-I901 PolarHBondContact O-N 3.2Š|
| 902 | P | 25 | Very low | 23.6 | Very low | 121 Ų | 121 | 157.9 Ų | 157.9 | 79% | 0.786 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 133.5 | -169 | 29.2 | -34.7 | 0 | 0 | 0 | 112.1 | ||
| 903 | Y | 24.1 | Very low | 23.4 | Very low | 228 Ų | 228 | 156.4 Ų | 156.4 | 89% | 0.894 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 129.7 | 164.9 | -109.9 | -104.2 | 0 | 0 | 0 | 108.8 | ||
| 904 | N | 26.1 | Very low | 23.3 | Very low | 161 Ų | 161 | 155.5 Ų | 155.5 | 86% | 0.861 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -89 | 116.7 | 177.8 | -139.2 | 23.4 | 0 | 0 | 0 | 108.9 | D906 | N904-D906 PolarHBondContact O-N 2.73Š|
| 905 | D | 24 | Very low | 23.3 | Very low | 150 Ų | 150 | 158.4 Ų | 158.4 | 80% | 0.802 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 116.7 | 172.5 | -78.3 | -46.9 | 0 | 0 | 0 | 109.6 | ||
| 906 | D | 25.3 | Very low | 23.3 | Very low | 155 Ų | 155 | 159 Ų | 159 | 83% | 0.829 | 84% | 0.84 | S | S | * | * | trans | -171.2 | 100.4 | 151.4 | -103 | -27.3 | 0 | 0 | 0 | 111.3 | N904 | N904-D906 PolarHBondContact O-N 2.73Š| ||
| 907 | T | 25.5 | Very low | 23.3 | Very low | 153 Ų | 153 | 157.9 Ų | 157.9 | 94% | 0.939 | 84% | 0.84 | S | S | * | * | trans | 170.7 | 73.3 | 148.4 | 27.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 908 | M | 19.7 | Very low | 23.2 | Very low | 169 Ų | 169 | 156.7 Ų | 156.7 | 83% | 0.833 | 84% | 0.839 | S | S | * | * | trans | -89.5 | 167 | 167.7 | -134.3 | -71.5 | -175.8 | 0 | 0 | 110.2 | ||||
| 909 | T | 23.6 | Very low | 23.1 | Very low | 117 Ų | 117 | 159.4 Ų | 159.4 | 72% | 0.718 | 84% | 0.842 | S | S | * | * | trans | 67.2 | 109.5 | 175.8 | 72.8 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 910 | T | 25.4 | Very low | 23.1 | Very low | 131 Ų | 131 | 161.1 Ų | 161.1 | 80% | 0.804 | 84% | 0.84 | S | S | * | * | -160.8 | 123.3 | 77.3 | 18.4 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 911 | L | 20.9 | Very low | 23.1 | Very low | 173 Ų | 173 | 159.3 Ų | 159.3 | 91% | 0.906 | 84% | 0.836 | S | S | * | * | trans | -137.3 | 98.8 | 179.6 | -141.6 | 162.6 | 0 | 0 | 0 | 107.6 | ||||
| 912 | I | 22 | Very low | 23.1 | Very low | 153 Ų | 153 | 163.2 Ų | 163.2 | 79% | 0.785 | 84% | 0.843 | S | S | * | * | trans | -88.5 | 134.4 | -172.9 | -66.8 | 176.8 | 0 | 0 | 0 | 109.9 | ||||
| 913 | Q | 20.7 | Very low | 23 | Very low | 176 Ų | 176 | 162.9 Ų | 162.9 | 82% | 0.822 | 84% | 0.843 | S | S | * | * | trans | -68.2 | 146.1 | 178 | -68.5 | 165.8 | -80.4 | 0 | 0 | 112 | ||||
| 914 | L | 22.4 | Very low | 22.9 | Very low | 179 Ų | 179 | 157.9 Ų | 157.9 | 94% | 0.937 | 84% | 0.84 | S | S | * | * | trans | -121.4 | 138.8 | 154.4 | -88.1 | 165.5 | 0 | 0 | 0 | 109.1 | ||||
| 915 | Q | 23.4 | Very low | 22.7 | Very low | 176 Ų | 176 | 155 Ų | 155 | 82% | 0.822 | 83% | 0.832 | S | S | * | * | trans | -89.9 | 160.7 | -159.3 | -70.6 | 168.4 | -62.1 | 0 | 0 | 113.8 | ||||
| 916 | N | 22.9 | Very low | 22.6 | Very low | 163 Ų | 163 | 153 Ų | 153 | 87% | 0.872 | 83% | 0.831 | S | S | * | * | trans | -63.8 | 136.4 | 175 | -54.5 | -38.9 | 0 | 0 | 0 | 111.4 | ||||
| 917 | T | 23.4 | Very low | 22.5 | Very low | 142 Ų | 142 | 154.1 Ų | 154.1 | 87% | 0.871 | 84% | 0.835 | S | S | * | * | trans | -112.7 | 137.9 | 163.2 | 51.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 918 | T | 22.6 | Very low | 22.4 | Very low | 127 Ų | 127 | 154.3 Ų | 154.3 | 78% | 0.779 | 83% | 0.83 | S | S | * | * | trans | -83.3 | 157.3 | -159.5 | 40.9 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 919 | E | 20.3 | Very low | 22.5 | Very low | 191 Ų | 191 | 153.6 Ų | 153.6 | 89% | 0.893 | 83% | 0.829 | S | S | * | * | trans | -65.2 | 152.8 | 170.6 | -62.8 | 169.8 | 135.2 | 0 | 0 | 111.6 | ||||
| 920 | H | 23.5 | Very low | 22.4 | Very low | 174 Ų | 174 | 153 Ų | 153 | 81% | 0.806 | 83% | 0.829 | S | S | * | * | trans | -133.7 | 126.8 | 169 | -98.3 | -66.3 | 0 | 0 | 0 | 110.4 | ||||
| 921 | D | 21.7 | Very low | 22.3 | Very low | 153 Ų | 153 | 152.4 Ų | 152.4 | 82% | 0.818 | 83% | 0.826 | S | S | * | * | trans | -69.4 | 145 | -176.6 | -66.2 | -67.3 | 0 | 0 | 0 | 114.3 | ||||
| 922 | Y | 23.5 | Very low | 22.4 | Very low | 236 Ų | 236 | 149.6 Ų | 149.6 | 93% | 0.925 | 82% | 0.816 | S | S | * | * | trans | -138.5 | 133.3 | 151.5 | -85.6 | -80.2 | 0 | 0 | 0 | 110.1 | ||||
| 923 | S | 22.9 | Very low | 22.4 | Very low | 113 Ų | 113 | 148.9 Ų | 148.9 | 79% | 0.79 | 81% | 0.812 | S | S | * | * | trans | -115.4 | 141.8 | -168 | 54.2 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 924 | C | 20.8 | Very low | 22.5 | Very low | 123 Ų | 123 | 148.7 Ų | 148.7 | 83% | 0.831 | 81% | 0.811 | S | S | * | * | trans | -159.8 | 97.2 | 158.8 | -115.7 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 925 | S | 21.2 | Very low | 22.6 | Very low | 100 Ų | 100 | 149.1 Ų | 149.1 | 70% | 0.699 | 81% | 0.805 | S | S | * | * | trans | 31.9 | 104.9 | 141.1 | 58.5 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 926 | S | 22.3 | Very low | 22.6 | Very low | 110 Ų | 110 | 147.3 Ų | 147.3 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | 61.8 | 105.4 | 121.8 | 68 | 0 | 0 | 0 | 0 | 122 | |||||
| 927 | I | 23.6 | Very low | 22.6 | Very low | 177 Ų | 177 | 146.7 Ų | 146.7 | 91% | 0.908 | 80% | 0.798 | S | S | * | * | trans | -125.5 | 140 | 131.8 | -66.1 | -177.2 | 0 | 0 | 0 | 107.6 | ||||
| 928 | N | 23.2 | Very low | 22.5 | Very low | 157 Ų | 157 | 146.8 Ų | 146.8 | 84% | 0.84 | 79% | 0.792 | S | S | * | * | trans | -64.1 | 140.2 | -165.3 | -106 | -47.4 | 0 | 0 | 0 | 115.2 | ||||
| 929 | L | 21.5 | Very low | 22.4 | Very low | 154 Ų | 154 | 147.1 Ų | 147.1 | 81% | 0.806 | 79% | 0.787 | S | S | * | * | trans | -128.2 | 111.9 | 166.9 | -158.3 | 96.9 | 0 | 0 | 0 | 110 | ||||
| 930 | S | 22.3 | Very low | 22.4 | Very low | 104 Ų | 104 | 146.4 Ų | 146.4 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | trans | -159.1 | 137.4 | 164.7 | 60.5 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 931 | T | 23.6 | Very low | 22.3 | Very low | 120 Ų | 120 | 146.6 Ų | 146.6 | 74% | 0.736 | 79% | 0.785 | S | S | * | * | cis | -130 | 109.4 | 7.2 | 45.3 | 0 | 0 | 0 | 0 | 110.8 | I933 | T931-I933 PolarHBondContact O-N 3.14Š| ||
| 932 | V | 22.9 | Very low | 22.3 | Very low | 114 Ų | 114 | 144.1 Ų | 144.1 | 69% | 0.691 | 78% | 0.779 | S | S | * | * | trans | -82.1 | 108 | 162.7 | 175.5 | 0 | 0 | 0 | 0 | 107.2 | E934 | V932-E934 PolarHBondContact O-N 2.84Š| ||
| 933 | I | 22.4 | Very low | 22.2 | Very low | 137 Ų | 137 | 139.4 Ų | 139.4 | 70% | 0.703 | 78% | 0.775 | S | S | * | * | trans | -77.1 | 100.9 | 170.2 | -63.3 | 172.7 | 0 | 0 | 0 | 106.8 | T931 K935 | T931-I933 PolarHBondContact O-N 3.14Å; I933-K935 HydrophobicContact CG2-CG 4.46Å; I933-K935 PolarHBondContact O-N 3.28Å | ||
| 934 | E | 22.8 | Very low | 22.1 | Very low | 173 Ų | 173 | 140 Ų | 140 | 81% | 0.808 | 77% | 0.77 | S | S | * | * | trans | -60.9 | 105.4 | 164.9 | -69.7 | -174.2 | 135.8 | 0 | 0 | 108.3 | V932 D936 | V932-E934 PolarHBondContact O-N 2.84Å; E934-D936 PolarHBondContact O-N 2.9Å | ||
| 935 | K | 24.3 | Very low | 22.2 | Very low | 188 Ų | 188 | 140.5 Ų | 140.5 | 82% | 0.817 | 76% | 0.759 | S | S | * | * | trans | -80.5 | 100.2 | 163.1 | -83.9 | -171.3 | 174.6 | 179.4 | 0 | 107.5 | I933 | I933-K935 HydrophobicContact CG2-CG 4.46Å; I933-K935 PolarHBondContact O-N 3.28Å | ||
| 936 | D | 23.8 | Very low | 22.2 | Very low | 137 Ų | 137 | 141 Ų | 141 | 73% | 0.733 | 75% | 0.753 | S | S | * | * | trans | -36.8 | 149.4 | 164.3 | -83.3 | -54.4 | 0 | 0 | 0 | 112.6 | E934 I938 | E934-D936 PolarHBondContact O-N 2.9Å; D936-I938 VanDerWaalsContact C-N 3.29Å; D936-I938 PolarHBondContact O-N 3.38Å | ||
| 937 | N | 22 | Very low | 22.2 | Very low | 151 Ų | 151 | 138 Ų | 138 | 81% | 0.807 | 73% | 0.73 | S | S | * | * | trans | -57 | 88 | 173.9 | -70.2 | -70.1 | 0 | 0 | 0 | 111.2 | I939 | N937-I939 HydrophobicContact CB-CG1 4.5Å; N937-I939 PolarHBondContact O-N 2.95Å | ||
| 938 | I | 20.8 | Very low | 22.2 | Very low | 144 Ų | 144 | 135.4 Ų | 135.4 | 74% | 0.738 | 72% | 0.718 | S | S | * | * | trans | -71.6 | 83.4 | 165.7 | -59.8 | -177.5 | 0 | 0 | 0 | 107.2 | D936 M940 | D936-I938 VanDerWaalsContact C-N 3.29Å; D936-I938 PolarHBondContact O-N 3.38Å; I938-M940 PolarHBondContact O-N 2.88Å | ||
| 939 | I | 21.2 | Very low | 22.3 | Very low | 133 Ų | 133 | 134 Ų | 134 | 68% | 0.682 | 71% | 0.711 | S | S | * | * | trans | -57.8 | 92.3 | 161 | -62.4 | 166.2 | 0 | 0 | 0 | 106.2 | N937 K941 | N937-I939 HydrophobicContact CB-CG1 4.5Å; N937-I939 PolarHBondContact O-N 2.95Å; I939-K941 HydrophobicContact CG2-CG 4.25Å; I939-K941 PolarHBondContact O-N 3.49Å | ||
| 940 | M | 20.3 | Very low | 22.3 | Very low | 177 Ų | 177 | 133.4 Ų | 133.4 | 87% | 0.872 | 71% | 0.708 | S | S | * | * | trans | -62.4 | 89.6 | 165.7 | -87.9 | -93.2 | -151.3 | 0 | 0 | 107.8 | I938 S942 | I938-M940 PolarHBondContact O-N 2.88Å; M940-S942 PolarHBondContact O-N 3.11Å | ||
| 941 | K | 21.6 | Very low | 22.4 | Very low | 178 Ų | 178 | 132.1 Ų | 132.1 | 77% | 0.774 | 70% | 0.699 | S | S | * | * | trans | -57.5 | 104.3 | 176.6 | -71.8 | 176.9 | 177.1 | 175.4 | 0 | 109.2 | I939 T943 | I939-K941 HydrophobicContact CG2-CG 4.25Å; I939-K941 PolarHBondContact O-N 3.49Å; K941-T943 PolarHBondContact O-N 2.98Å | ||
| 942 | S | 22.1 | Very low | 22.4 | Very low | 101 Ų | 101 | 134.4 Ų | 134.4 | 71% | 0.706 | 70% | 0.701 | S | S | * | * | trans | -69.8 | 92.6 | 170.6 | 57.3 | 0 | 0 | 0 | 0 | 109.4 | M940 N944 | M940-S942 PolarHBondContact O-N 3.11Å; S942-N944 PolarHBondContact O-N 3.32Å; S942-N944 VanDerWaalsContact O-N 3.07Å | ||
| 943 | T | 21.5 | Very low | 22.5 | Very low | 136 Ų | 136 | 134.9 Ų | 134.9 | 83% | 0.834 | 70% | 0.704 | S | S | * | * | trans | -72.7 | 99.1 | 177.6 | 35.4 | 0 | 0 | 0 | 0 | 111 | K941 | K941-T943 PolarHBondContact O-N 2.98Š| ||
| 944 | N | 21 | Very low | 22.5 | Very low | 127 Ų | 127 | 136 Ų | 136 | 68% | 0.679 | 71% | 0.709 | S | S | * | * | trans | -61.4 | 144.4 | 167.1 | -69.5 | -49.4 | 0 | 0 | 0 | 111.9 | S942 | S942-N944 PolarHBondContact O-N 3.32Å; S942-N944 VanDerWaalsContact O-N 3.07Å | ||
| 945 | H | 21 | Very low | 22.7 | Very low | 132 Ų | 132 | 136.9 Ų | 136.9 | 61% | 0.611 | 71% | 0.713 | S | S | * | * | trans | 174.9 | 82.2 | 153.8 | -91.3 | -38.3 | 0 | 0 | 0 | 108.6 | N1535 | H945-N1535 HydrophobicContact CB-CB 4.41Å; H945-N1535 VanDerWaalsContact CB-ND2 3.27Å; H945-N1535 WeakPolarHBondContact CB-ND2 3.38Å; H945-N1535 PolarHBondContact ND1-ND2 3.3Å | ||
| 946 | I | 21.9 | Very low | 22.9 | Very low | 112 Ų | 112 | 134.5 Ų | 134.5 | 57% | 0.574 | 71% | 0.709 | S | S | * | * | 66.2 | 147.6 | 83.3 | -42.9 | 167.5 | 0 | 0 | 0 | 114 | N1535 | I946-N1535 WeakPolarHBondContact O-CB 3.38Å; I946-N1535 PolarHBondContact O-OD1 2.96Å; I946-N1535 VanDerWaalsContact O-OD1 3.14Å | |||
| 947 | V | 22.7 | Very low | 23.2 | Very low | 46 Ų | 46 | 135.5 Ų | 135.5 | 28% | 0.279 | 71% | 0.712 | S | S | . | * | trans | 70.5 | 136.6 | 165.1 | -176.5 | 0 | 0 | 0 | 0 | 117.3 | N1535 | V947-N1535 WeakPolarHBondContact CB-OD1 3.38Å; V947-N1535 VanDerWaalsContact CG2-OD1 3.23Å; V947-N1535 WeakPolarHBondContact CG2-OD1 3.42Å | ||
| 948 | N | 22.8 | Very low | 23.4 | Very low | 123 Ų | 123 | 132.6 Ų | 132.6 | 66% | 0.658 | 70% | 0.704 | S | S | * | * | cis | -166.3 | 163.9 | -25.5 | -103.7 | -11.9 | 0 | 0 | 0 | 108.8 | ||||
| 949 | N | 25.3 | Very low | 24 | Very low | 128 Ų | 128 | 132.1 Ų | 132.1 | 68% | 0.684 | 70% | 0.703 | S | S | * | * | trans | 26.8 | 147.9 | 137.6 | -55.7 | -5.4 | 0 | 0 | 0 | 120.6 | ||||
| 950 | N | 23 | Very low | 24.5 | Very low | 140 Ų | 140 | 133.5 Ų | 133.5 | 75% | 0.749 | 71% | 0.707 | S | S | * | * | cis | -167.2 | 164 | 29.3 | -131.8 | -1.2 | 0 | 0 | 0 | 113.5 | ||||
| 951 | S | 23.3 | Very low | 25 | Very low | 78 Ų | 78 | 132.2 Ų | 132.2 | 55% | 0.545 | 70% | 0.699 | S | S | . | * | trans | 6.6 | 142.6 | 153 | 58.9 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 952 | H | 24.7 | Very low | 25.5 | Very low | 167 Ų | 167 | 127.9 Ų | 127.9 | 77% | 0.773 | 69% | 0.687 | S | S | * | * | 161 | 140.5 | 129 | -90.5 | -64.8 | 0 | 0 | 0 | 108.7 | |||||
| 953 | T | 24 | Very low | 26 | Very low | 124 Ų | 124 | 128.9 Ų | 128.9 | 76% | 0.761 | 68% | 0.684 | S | S | * | * | cis | -167.6 | 156 | -18.3 | 0.3 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 954 | M | 23.1 | Very low | 26.4 | Very low | 161 Ų | 161 | 130.5 Ų | 130.5 | 79% | 0.793 | 68% | 0.682 | S | S | * | * | trans | -52.2 | 156.1 | 171.6 | -70.8 | -76.1 | -147.1 | 0 | 0 | 114.3 | ||||
| 955 | E | 27.4 | Very low | 26.8 | Very low | 192 Ų | 192 | 131.1 Ų | 131.1 | 90% | 0.897 | 68% | 0.684 | S | S | * | * | trans | -151.4 | 144.3 | 133.8 | -119.4 | 166.3 | -150 | 0 | 0 | 110.7 | ||||
| 956 | D | 28 | Very low | 27.1 | Very low | 138 Ų | 138 | 131.6 Ų | 131.6 | 74% | 0.738 | 69% | 0.688 | S | S | * | * | trans | -92.3 | 148.8 | -163.4 | -60.3 | -76.4 | 0 | 0 | 0 | 113.8 | ||||
| 957 | I | 29.1 | Very low | 27.3 | Very low | 157 Ų | 157 | 133.3 Ų | 133.3 | 81% | 0.805 | 70% | 0.699 | S | S | * | * | trans | -129.1 | 138.9 | 160.4 | -62 | -177.3 | 0 | 0 | 0 | 108.9 | ||||
| 958 | S | 27.3 | Very low | 27.4 | Very low | 90 Ų | 90 | 139.2 Ų | 139.2 | 63% | 0.629 | 72% | 0.723 | S | S | * | * | trans | -79.5 | 156.4 | -158.4 | 44.9 | 0 | 0 | 0 | 0 | 115.8 | E960 | S958-E960 PolarHBondContact O-N 3.13Š| ||
| 959 | N | 33.2 | Very low | 27.6 | Very low | 134 Ų | 134 | 140.8 Ų | 140.8 | 72% | 0.717 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.3 | 8.2 | -171.5 | -81 | -37.2 | 0 | 0 | 0 | 116.9 | ||
| 960 | E | 32.1 | Very low | 27.6 | Very low | 163 Ų | 163 | 144.2 Ų | 144.2 | 76% | 0.762 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.6 | -33 | -170.5 | -133.3 | 131.3 | -140.3 | 0 | 0 | 113 | S958 V962 | S958-E960 PolarHBondContact O-N 3.13Å; E960-V962 VanDerWaalsContact C-N 3.34Å |
| 961 | E | 29.6 | Very low | 27.7 | Very low | 150 Ų | 150 | 146.9 Ų | 146.9 | 70% | 0.701 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.9 | -24.5 | 174 | -65.6 | -169.6 | 144.2 | 0 | 0 | 113 | N963 Q964 | E961-N963 VanDerWaalsContact C-N 3.29Å; E961-N963 PolarHBondContact O-N 2.9Å; E961-Q964 PolarHBondContact O-N 2.71Å |
| 962 | V | 32.2 | Very low | 27.8 | Very low | 87 Ų | 87 | 148.8 Ų | 148.8 | 53% | 0.527 | 75% | 0.75 | S | S | . | * | H | α-helix | trans | -69.3 | -28.1 | 179.9 | -179.1 | 0 | 0 | 0 | 0 | 111.8 | E960 | E960-V962 VanDerWaalsContact C-N 3.34Å |
| 963 | N | 32.9 | Very low | 27.7 | Very low | 122 Ų | 122 | 149.9 Ų | 149.9 | 65% | 0.652 | 75% | 0.753 | S | S | * | * | H | α-helix | trans | -78.1 | -17.8 | -179 | -78.4 | -31 | 0 | 0 | 0 | 114.3 | E961 | E961-N963 VanDerWaalsContact C-N 3.29Å; E961-N963 PolarHBondContact O-N 2.9Å |
| 964 | Q | 29.1 | Very low | 27.8 | Very low | 170 Ų | 170 | 150.2 Ų | 150.2 | 79% | 0.794 | 75% | 0.75 | S | S | * | * | H | α-helix | trans | -85.3 | -21.1 | 175.6 | -75.6 | -168.6 | -9.8 | 0 | 0 | 113.9 | E961 | E961-Q964 PolarHBondContact O-N 2.71Å |
| 965 | I | 30.1 | Very low | 27.8 | Very low | 139 Ų | 139 | 148.8 Ų | 148.8 | 71% | 0.713 | 75% | 0.751 | S | S | * | * | H | α-helix | trans | -89.9 | -10.2 | -177 | -61.6 | 177.6 | 0 | 0 | 0 | 112.5 | N967 | I965-N967 VanDerWaalsContact C-N 3.32Å; I965-N967 PolarHBondContact O-N 3.13Å |
| 966 | M | 27.9 | Very low | 27.6 | Very low | 142 Ų | 142 | 143.6 Ų | 143.6 | 70% | 0.7 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.1 | 9.8 | -177.4 | -72.5 | -68.5 | -70.4 | 0 | 0 | 115.3 | ||
| 967 | N | 26.1 | Very low | 27.4 | Very low | 148 Ų | 148 | 145.2 Ų | 145.2 | 79% | 0.791 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.8 | 10.4 | -178.3 | -89.5 | -9.9 | 0 | 0 | 0 | 115.4 | I965 | I965-N967 VanDerWaalsContact C-N 3.32Å; I965-N967 PolarHBondContact O-N 3.13Å |
| 968 | E | 25 | Very low | 27 | Very low | 171 Ų | 171 | 141.1 Ų | 141.1 | 80% | 0.799 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -95.8 | 126.7 | 171.4 | -69.4 | -164.8 | 158.2 | 0 | 0 | 112.5 | F970 | E968-F970 PolarHBondContact O-N 3.18Š|
| 969 | E | 27.1 | Very low | 26.9 | Very low | 155 Ų | 155 | 143.4 Ų | 143.4 | 72% | 0.724 | 73% | 0.734 | S | S | * | * | trans | -67.1 | 116.4 | -168.3 | -60.2 | -180 | 137.6 | 0 | 0 | 112.9 | Y971 | E969-Y971 HydrophobicContact CB-CE2 4.35Å; E969-Y971 WeakPolarHBondContact O-CD2 3.21Å; E969-Y971 PolarHBondContact O-N 3.23Å | ||
| 970 | F | 25.2 | Very low | 26.5 | Very low | 200 Ų | 200 | 140.4 Ų | 140.4 | 88% | 0.877 | 72% | 0.72 | S | S | * | * | trans | -71.2 | 89.6 | 176.3 | -92.4 | -95.8 | 0 | 0 | 0 | 112.4 | E968 S972 | E968-F970 PolarHBondContact O-N 3.18Å; F970-S972 PolarHBondContact O-N 2.83Å | ||
| 971 | Y | 24.6 | Very low | 26.1 | Very low | 196 Ų | 196 | 133.5 Ų | 133.5 | 77% | 0.769 | 69% | 0.692 | S | S | * | * | trans | -62.6 | 103.1 | 166.8 | -83.2 | -97.3 | 0 | 0 | 0 | 111 | E969 F973 | E969-Y971 HydrophobicContact CB-CE2 4.35Å; E969-Y971 WeakPolarHBondContact O-CD2 3.21Å; E969-Y971 PolarHBondContact O-N 3.23Å; Y971-F973 PolarHBondContact O-N 3.43Å | ||
| 972 | S | 24.5 | Very low | 26.2 | Very low | 118 Ų | 118 | 128.4 Ų | 128.4 | 83% | 0.825 | 67% | 0.67 | S | S | * | * | trans | -74.7 | 112.8 | 179.2 | 64.4 | 0 | 0 | 0 | 0 | 111.9 | F970 D974 | F970-S972 PolarHBondContact O-N 2.83Å; S972-D974 PolarHBondContact O-N 3.21Å | ||
| 973 | F | 23.6 | Very low | 26.3 | Very low | 190 Ų | 190 | 126 Ų | 126 | 83% | 0.833 | 65% | 0.652 | S | S | * | * | trans | -74.6 | 120.4 | -177.9 | -153.4 | -95.6 | 0 | 0 | 0 | 112.2 | Y971 T975 | Y971-F973 PolarHBondContact O-N 3.43Å; F973-T975 PolarHBondContact O-N 3.27Å | ||
| 974 | D | 25.2 | Very low | 26.5 | Very low | 131 Ų | 131 | 120.7 Ų | 120.7 | 70% | 0.701 | 63% | 0.627 | S | S | * | * | trans | -76.5 | 117.5 | -175.1 | -172.8 | 11.5 | 0 | 0 | 0 | 112.3 | S972 S976 | S972-D974 PolarHBondContact O-N 3.21Å; D974-S976 PolarHBondContact O-N 3.45Å | ||
| 975 | T | 24.1 | Very low | 26.6 | Very low | 132 Ų | 132 | 113.5 Ų | 113.5 | 81% | 0.81 | 60% | 0.595 | S | S | * | * | trans | -98.7 | 64 | -173.2 | 38.2 | 0 | 0 | 0 | 0 | 112.1 | F973 H977 | F973-T975 PolarHBondContact O-N 3.27Å; T975-H977 PolarHBondContact O-N 2.95Å | ||
| 976 | S | 23.1 | Very low | 26.8 | Very low | 82 Ų | 82 | 109.2 Ų | 109.2 | 57% | 0.573 | 57% | 0.574 | S | S | * | * | trans | -93.2 | 27.9 | -168.1 | 62.3 | 0 | 0 | 0 | 0 | 116.4 | D974 | D974-S976 PolarHBondContact O-N 3.45Š| ||
| 977 | H | 22.9 | Very low | 26.8 | Very low | 172 Ų | 172 | 104.9 Ų | 104.9 | 80% | 0.796 | 55% | 0.553 | S | S | * | * | trans | -121.7 | 73 | 177.5 | -71.6 | -16 | 0 | 0 | 0 | 114 | T975 | T975-H977 PolarHBondContact O-N 2.95Š| ||
| 978 | S | 22.2 | Very low | 27 | Very low | 72 Ų | 72 | 100.8 Ų | 100.8 | 50% | 0.503 | 53% | 0.532 | S | S | . | . | S | Bend | trans | -132.4 | 144 | 153.8 | 78.8 | 0 | 0 | 0 | 0 | 110.6 | V980 | S978-V980 WeakPolarHBondContact O-CG2 3.47Å; S978-V980 PolarHBondContact O-N 3.41Å |
| 979 | V | 23.6 | Very low | 27.2 | Very low | 138 Ų | 138 | 96.2 Ų | 96.2 | 84% | 0.836 | 52% | 0.523 | S | S | * | . | trans | -74 | 93.8 | -175.9 | -178.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 980 | V | 25.4 | Very low | 27.2 | Very low | 71 Ų | 71 | 95 Ų | 95 | 43% | 0.43 | 52% | 0.522 | S | S | . | . | trans | -86.8 | 122.6 | -177.9 | -171.5 | 0 | 0 | 0 | 0 | 111.4 | S978 N982 | S978-V980 WeakPolarHBondContact O-CG2 3.47Å; S978-V980 PolarHBondContact O-N 3.41Å; V980-N982 VanDerWaalsContact CG1-OD1 3.24Å; V980-N982 WeakPolarHBondContact CG1-OD1 3.21Å; V980-N982 PolarHBondContact O-N 3.19Å; V980-N982 VanDerWaalsContact O-N 3.14Å | ||
| 981 | G | 24.7 | Very low | 27.2 | Very low | 17 Ų | 17 | 94.3 Ų | 94.3 | 18% | 0.175 | 52% | 0.521 | C | S | . | . | trans | -67.7 | 103.3 | 162.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | Q1144 | G981-Q1144 PolarHBondContact O-NE2 3.05Å; G981-Q1144 VanDerWaalsContact O-NE2 3.08Å | ||
| 982 | N | 30.4 | Very low | 27.2 | Very low | 43 Ų | 43 | 95.3 Ų | 95.3 | 23% | 0.23 | 53% | 0.525 | C | S | . | . | trans | -95.1 | 94.1 | 176.8 | -73.5 | -7 | 0 | 0 | 0 | 110.2 | V980 S1096 R1147 | V980-N982 VanDerWaalsContact CG1-OD1 3.24Å; V980-N982 WeakPolarHBondContact CG1-OD1 3.21Å; V980-N982 PolarHBondContact O-N 3.19Å; V980-N982 VanDerWaalsContact O-N 3.14Å; N982-S1096 WeakPolarHBondContact CB-OG 3.46Å; N982-S1096 WeakPolarHBondContact O-CB 3.32Å; N982-S1096 PolarHBondContact O-OG 2.82Å; N982-R1147 PolarHBondContact OD1-NH2 3.01Å | ||
| 983 | E | 35.3 | Very low | 27.4 | Very low | 36 Ų | 36 | 96.3 Ų | 96.3 | 17% | 0.168 | 52% | 0.521 | C | S | . | . | trans | -66.9 | 169.2 | 146.3 | -78.4 | 153 | -130.3 | 0 | 0 | 109 | R424 K1153 | R424-E983 IonicContact CZ-OE2 3Å; R424-E983 IonicContact NH2-OE2 2.74Å; R424-E983 PolarHBondContact NH2-OE2 2.83Å; E983-K1153 WeakPolarHBondContact OE1-CE 3.46Å; E983-K1153 IonicContact OE1-NZ 2.83Å; E983-K1153 PolarHBondContact OE1-NZ 3.03Å | ||
| 984 | G | 37.2 | Very low | 27.5 | Very low | 12 Ų | 12 | 94.9 Ų | 94.9 | 12% | 0.124 | 52% | 0.522 | C | S | . | . | trans | -35.2 | 136.4 | -166.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | D986 | G984-D986 PolarHBondContact O-N 2.64Å; G984-D986 VanDerWaalsContact O-N 3.14Å | ||
| 985 | S | 31.3 | Very low | 27.7 | Very low | 18 Ų | 18 | 96.5 Ų | 96.5 | 13% | 0.126 | 53% | 0.529 | C | S | . | . | trans | -76.1 | 95.9 | 178.2 | 43 | 0 | 0 | 0 | 0 | 111.9 | N118 K119 Q120 L987 | N118-S985 VanDerWaalsContact CB-O 3.22Å; N118-S985 WeakPolarHBondContact CB-O 3.5Å; N118-S985 PolarHBondContact ND2-O 3.27Å; K119-S985 WeakPolarHBondContact O-CB 3.37Å; K119-S985 PolarHBondContact O-OG 3.21Å; Q120-S985 PolarHBondContact NE2-OG 3.17Å; Q120-S985 VanDerWaalsContact NE2-OG 3.14Å; Q120-S985 PolarHBondContact OE1-OG 2.93Å; S985-L987 PolarHBondContact O-N 3.49Å | ||
| 986 | D | 33.2 | Very low | 27.9 | Very low | 50 Ų | 50 | 99 Ų | 99 | 27% | 0.267 | 53% | 0.532 | S | S | . | . | trans | -87 | 91.1 | 175 | -60.9 | -16.9 | 0 | 0 | 0 | 110.7 | N93 G984 K1148 | N93-D986 PolarHBondContact OD1-OD1 3.07Å; G984-D986 PolarHBondContact O-N 2.64Å; G984-D986 VanDerWaalsContact O-N 3.14Å; D986-K1148 WeakPolarHBondContact O-CD 3.38Å; D986-K1148 WeakPolarHBondContact O-CE 3.36Å; D986-K1148 PolarHBondContact O-NZ 3.16Å | ||
| 987 | L | 28.9 | Very low | 28 | Very low | 50 Ų | 50 | 104.7 Ų | 104.7 | 26% | 0.262 | 54% | 0.541 | S | S | . | . | trans | -133.1 | 116.7 | 176.2 | -69.6 | -163.1 | 0 | 0 | 0 | 108.7 | R94 N118 K119 S985 | R94-L987 PolarHBondContact NH2-O 3.38Å; N118-L987 WeakPolarHBondContact CA-O 3.33Å; N118-L987 PolarHBondContact OD1-O 3.17Å; K119-L987 HydrophobicContact CB-CD1 3.77Å; K119-L987 HydrophobicContact CD-CD1 4.02Å; S985-L987 PolarHBondContact O-N 3.49Å | ||
| 988 | D | 29.6 | Very low | 28.3 | Very low | 63 Ų | 63 | 104.1 Ų | 104.1 | 34% | 0.337 | 54% | 0.544 | S | S | . | . | cis | -152.6 | 169.8 | 9.9 | -92.8 | -52.6 | 0 | 0 | 0 | 113.1 | R94 K1148 | R94-D988 PolarHBondContact NH1-O 2.94Å; D988-K1148 IonicContact OD1-NZ 3.88Å; D988-K1148 PolarHBondContact OD1-NZ 3.23Å | ||
| 989 | A | 28.8 | Very low | 28.7 | Very low | 74 Ų | 74 | 107.7 Ų | 107.7 | 61% | 0.612 | 55% | 0.55 | S | S | * | * | trans | -132.8 | 91.7 | -179 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 990 | D | 27.1 | Very low | 28.9 | Very low | 131 Ų | 131 | 109.2 Ų | 109.2 | 70% | 0.701 | 55% | 0.552 | S | S | * | * | trans | -65.8 | 147.7 | 173.3 | -63.2 | -49.8 | 0 | 0 | 0 | 110.8 | Y992 | D990-Y992 PolarHBondContact O-N 2.92Š| ||
| 991 | H | 24.9 | Very low | 29.3 | Very low | 185 Ų | 185 | 112.6 Ų | 112.6 | 86% | 0.856 | 57% | 0.568 | S | S | * | * | trans | -67.7 | 89.7 | -178.2 | -119.6 | 40.1 | 0 | 0 | 0 | 110.7 | N993 | H991-N993 PolarHBondContact O-N 3.22Š| ||
| 992 | Y | 26.1 | Very low | 29.9 | Very low | 217 Ų | 217 | 119.7 Ų | 119.7 | 85% | 0.851 | 60% | 0.596 | S | S | * | * | trans | -76.6 | 116.7 | 166.1 | -93.8 | -87 | 0 | 0 | 0 | 109.4 | D990 D994 | D990-Y992 PolarHBondContact O-N 2.92Å; Y992-D994 PolarHBondContact O-N 3.4Å | ||
| 993 | N | 27.7 | Very low | 30.6 | Very low | 139 Ų | 139 | 121.9 Ų | 121.9 | 74% | 0.743 | 61% | 0.608 | S | S | * | * | trans | -66.1 | 128.1 | 179 | -71.9 | -38.4 | 0 | 0 | 0 | 110.9 | H991 L995 | H991-N993 PolarHBondContact O-N 3.22Å; N993-L995 PolarHBondContact O-N 3.04Å | ||
| 994 | D | 26.7 | Very low | 31.3 | Very low | 160 Ų | 160 | 127 Ų | 127 | 86% | 0.856 | 64% | 0.636 | S | S | * | * | trans | -60.6 | 105.2 | 171.5 | -73.4 | -44.2 | 0 | 0 | 0 | 110.1 | Y992 | Y992-D994 PolarHBondContact O-N 3.4Š| ||
| 995 | L | 29.3 | Very low | 32.2 | Very low | 164 Ų | 164 | 126.8 Ų | 126.8 | 86% | 0.859 | 63% | 0.633 | S | S | * | * | trans | -103.3 | 99.9 | 164.1 | -93.6 | 167.1 | 0 | 0 | 0 | 108.7 | N993 R997 | N993-L995 PolarHBondContact O-N 3.04Å; L995-R997 PolarHBondContact O-N 3.42Å | ||
| 996 | E | 26.6 | Very low | 34.3 | Very low | 186 Ų | 186 | 128.4 Ų | 128.4 | 87% | 0.869 | 64% | 0.639 | S | S | * | * | trans | -56.4 | 117.1 | 179.4 | -64.7 | 179.6 | 154.3 | 0 | 0 | 111.1 | ||||
| 997 | R | 26.3 | Very low | 36.7 | Very low | 201 Ų | 201 | 126 Ų | 126 | 76% | 0.758 | 63% | 0.627 | S | S | * | * | trans | -134.1 | 105.8 | 166.6 | -152.2 | -176.9 | -69.6 | -167.8 | 1.1 | 108.2 | L995 F999 | L995-R997 PolarHBondContact O-N 3.42Å; R997-F999 VanDerWaalsContact C-N 3.31Å; R997-F999 HydrophobicContact CG-CE2 4.34Å; R997-F999 PolarHBondContact O-N 2.96Å | ||
| 998 | N | 28.6 | Very low | 39.1 | Very low | 159 Ų | 159 | 125.3 Ų | 125.3 | 85% | 0.85 | 63% | 0.625 | S | S | * | * | trans | -71 | 79.7 | -173.4 | -71.7 | -37.4 | 0 | 0 | 0 | 112.2 | ||||
| 999 | F | 30.1 | Very low | 41.6 | Very low | 148 Ų | 148 | 122.9 Ų | 122.9 | 65% | 0.649 | 61% | 0.611 | S | S | * | * | trans | -89 | 127 | 155 | -77.9 | -84.9 | 0 | 0 | 0 | 108.4 | R997 D1001 | R997-F999 VanDerWaalsContact C-N 3.31Å; R997-F999 HydrophobicContact CG-CE2 4.34Å; R997-F999 PolarHBondContact O-N 2.96Å; F999-D1001 VanDerWaalsContact C-N 3.29Å; F999-D1001 PolarHBondContact O-N 2.69Å; F999-D1001 VanDerWaalsContact O-N 3.11Å | ||
| 1000 | I | 29.3 | Very low | 44.3 | Very low | 169 Ų | 169 | 119.5 Ų | 119.5 | 87% | 0.867 | 58% | 0.582 | S | S | * | * | trans | -84.2 | 80.9 | 175.5 | -54.6 | 174.2 | 0 | 0 | 0 | 106.7 | ||||
| 1001 | D | 33.6 | Very low | 47 | Very low | 143 Ų | 143 | 115.5 Ų | 115.5 | 77% | 0.765 | 56% | 0.562 | S | S | * | * | trans | -66.1 | 137.4 | 165.2 | -81.5 | -33.2 | 0 | 0 | 0 | 109 | F999 D1003 | F999-D1001 VanDerWaalsContact C-N 3.29Å; F999-D1001 PolarHBondContact O-N 2.69Å; F999-D1001 VanDerWaalsContact O-N 3.11Å; D1001-D1003 PolarHBondContact O-N 2.74Å | ||
| 1002 | E | 36.9 | Very low | 49.7 | Very low | 165 Ų | 165 | 108.9 Ų | 108.9 | 77% | 0.771 | 53% | 0.532 | S | S | * | . | trans | -59.7 | 122.7 | 171.7 | -66.3 | -179.9 | 157.6 | 0 | 0 | 109.2 | L1004 | E1002-L1004 PolarHBondContact O-N 3.01Š| ||
| 1003 | D | 46 | Very low | 52.3 | Low | 90 Ų | 90 | 99.1 Ų | 99.1 | 48% | 0.481 | 49% | 0.494 | S | S | . | . | trans | -75.7 | 74.4 | -177.9 | -170.5 | 13.2 | 0 | 0 | 0 | 111.8 | D1001 S1005 | D1001-D1003 PolarHBondContact O-N 2.74Å; D1003-S1005 VanDerWaalsContact CG-OG 3.3Å; D1003-S1005 PolarHBondContact O-N 3.15Å; D1003-S1005 WeakPolarHBondContact OD1-CB 3.39Å; D1003-S1005 PolarHBondContact OD1-N 3.02Å; D1003-S1005 VanDerWaalsContact OD1-N 3.13Å; D1003-S1005 PolarHBondContact OD1-OG 3.15Å; D1003-S1005 PolarHBondContact OD2-OG 3.11Å | ||
| 1004 | L | 48.8 | Very low | 54.9 | Low | 143 Ų | 143 | 94.9 Ų | 94.9 | 75% | 0.749 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | 1.5 | 170.7 | -65 | 172.2 | 0 | 0 | 0 | 113 | E1002 I1006 | E1002-L1004 PolarHBondContact O-N 3.01Å; L1004-I1006 PolarHBondContact O-N 3.24Å |
| 1005 | S | 57.3 | Low | 57.6 | Low | 8 Ų | 8 | 92.7 Ų | 92.7 | 6% | 0.056 | 46% | 0.456 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -3.8 | -177 | 83.6 | 0 | 0 | 0 | 0 | 114.4 | Y89 L310 R418 D1003 | Y89-S1005 VanDerWaalsContact OH-CB 3.28Å; Y89-S1005 WeakPolarHBondContact OH-CB 3.45Å; Y89-S1005 PolarHBondContact OH-OG 2.91Å; L310-S1005 WeakPolarHBondContact CD1-O 3.46Å; R418-S1005 PolarHBondContact NH1-O 3.37Å; R418-S1005 PolarHBondContact NH1-OG 3.13Å; D1003-S1005 VanDerWaalsContact CG-OG 3.3Å; D1003-S1005 PolarHBondContact O-N 3.15Å; D1003-S1005 WeakPolarHBondContact OD1-CB 3.39Å; D1003-S1005 PolarHBondContact OD1-N 3.02Å; D1003-S1005 VanDerWaalsContact OD1-N 3.13Å; D1003-S1005 PolarHBondContact OD1-OG 3.15Å; D1003-S1005 PolarHBondContact OD2-OG 3.11Å |
| 1006 | I | 73.9 | Confident | 60.1 | Low | 52 Ų | 52 | 85.8 Ų | 85.8 | 27% | 0.267 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -103.5 | 130.6 | -176.4 | -56.8 | -175.6 | 0 | 0 | 0 | 109.2 | L432 L1004 P1008 V1011 | L432-I1006 HydrophobicContact CD1-CG2 3.32Å; L432-I1006 HydrophobicContact CD2-CG2 3.98Å; L432-I1006 HydrophobicContact CG-CG2 3.73Å; L1004-I1006 PolarHBondContact O-N 3.24Å; I1006-P1008 WeakPolarHBondContact O-CD 3.38Å; I1006-V1011 HydrophobicContact CB-CG2 4.37Å; I1006-V1011 HydrophobicContact CG2-CG2 3.43Å; I1006-V1011 VanDerWaalsContact CG2-CG2 3.43Å |
| 1007 | N | 83.3 | Confident | 62.4 | Low | 0 Ų | 0 | 77.1 Ų | 77.1 | 0% | 0 | 38% | 0.381 | C | S | . | . | trans | -49.3 | 106.2 | 177.4 | 175.9 | -13.8 | 0 | 0 | 0 | 111.2 | L310 Y431 L432 Y1009 Y1010 V1011 | L310-N1007 HydrophobicContact CD1-CB 4.15Å; Y431-N1007 WeakPolarHBondContact CE1-ND2 3.47Å; Y431-N1007 PolarHBondContact O-ND2 2.87Å; L432-N1007 HydrophobicContact CD1-CB 4.23Å; L432-N1007 WeakPolarHBondContact O-CB 3.38Å; L432-N1007 PolarHBondContact O-N 3.08Å; L432-N1007 VanDerWaalsContact O-N 3.1Å; N1007-Y1009 VanDerWaalsContact C-N 3.26Å; N1007-Y1009 PolarHBondContact O-N 3.22Å; N1007-Y1009 WeakPolarHBondContact OD1-CB 3.25Å; N1007-Y1009 PolarHBondContact OD1-N 3.35Å; N1007-Y1010 PolarHBondContact O-N 3.12Å; N1007-Y1010 VanDerWaalsContact O-N 3.16Å; N1007-Y1010 PolarHBondContact OD1-N 2.81Å; N1007-V1011 PolarHBondContact O-N 3.03Å; N1007-V1011 VanDerWaalsContact O-N 3.07Å | ||
| 1008 | P | 80.6 | Confident | 64.9 | Low | 34 Ų | 34 | 68.9 Ų | 68.9 | 22% | 0.221 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -71.8 | -26.3 | -168.4 | 28.4 | -34.9 | 0 | 0 | 0 | 111.6 | L310 Y815 I1006 V1011 H1012 | L310-P1008 WeakPolarHBondContact O-CD 3.44Å; Y815-P1008 HydrophobicContact CE2-CB 4.27Å; I1006-P1008 WeakPolarHBondContact O-CD 3.38Å; P1008-V1011 PolarHBondContact O-N 3.38Å; P1008-H1012 WeakPolarHBondContact O-CB 3.47Å; P1008-H1012 PolarHBondContact O-N 2.96Å |
| 1009 | Y | 81.9 | Confident | 67.4 | Low | 13 Ų | 13 | 64.1 Ų | 64.1 | 5% | 0.051 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -67.1 | -41.7 | 174.1 | 171.4 | -97 | 0 | 0 | 0 | 111.3 | Y308 P340 Y431 N812 N1007 H1012 I1013 | Y308-Y1009 AromaticContact CD2-CD2 3.9Å; Y308-Y1009 HydrophobicContact CD2-CD2 3.9Å; Y308-Y1009 HydrophobicContact CD2-CE2 4.31Å; Y308-Y1009 HydrophobicContact CD2-CG 4.09Å; Y308-Y1009 HydrophobicContact CE2-CD2 4.27Å; Y308-Y1009 HydrophobicContact CE2-CE2 4.43Å; P340-Y1009 HydrophobicContact CB-CE2 3.79Å; P340-Y1009 WeakPolarHBondContact CB-OH 3.45Å; Y431-Y1009 HydrophobicContact CE1-CD1 4.44Å; Y431-Y1009 WeakPolarHBondContact OH-CD1 3.41Å; Y431-Y1009 WeakPolarHBondContact OH-CE1 3.38Å; N812-Y1009 PolarHBondContact ND2-OH 3.19Å; N812-Y1009 VanDerWaalsContact OD1-CE2 3.24Å; N812-Y1009 WeakPolarHBondContact OD1-CE2 3.33Å; N1007-Y1009 VanDerWaalsContact C-N 3.26Å; N1007-Y1009 PolarHBondContact O-N 3.22Å; N1007-Y1009 WeakPolarHBondContact OD1-CB 3.25Å; N1007-Y1009 PolarHBondContact OD1-N 3.35Å; Y1009-H1012 PolarHBondContact O-N 3.11Å; Y1009-I1013 HydrophobicContact CD1-CD1 4.03Å; Y1009-I1013 HydrophobicContact CE1-CD1 3.48Å; Y1009-I1013 VanDerWaalsContact CE1-CD1 3.48Å; Y1009-I1013 HydrophobicContact CE2-CD1 4.41Å; Y1009-I1013 WeakPolarHBondContact O-CG1 3.38Å; Y1009-I1013 PolarHBondContact O-N 2.95Å |
| 1010 | Y | 85.4 | Confident | 69.5 | Low | 3 Ų | 3 | 57.5 Ų | 57.5 | 1% | 0.012 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66.9 | -38.3 | 172.5 | -177.2 | -90.5 | 0 | 0 | 0 | 112.5 | L337 Y431 L432 N1007 I1013 L1014 R1064 | L337-Y1010 HydrophobicContact CD1-CE2 4.48Å; L337-Y1010 HydrophobicContact CD2-CD2 3.8Å; L337-Y1010 HydrophobicContact CD2-CE2 4Å; Y431-Y1010 AromaticContact CD1-CD2 3.78Å; Y431-Y1010 HydrophobicContact CD1-CD2 3.78Å; Y431-Y1010 HydrophobicContact CD1-CG 4.29Å; Y431-Y1010 HydrophobicContact CE1-CD2 4.13Å; L432-Y1010 HydrophobicContact CD1-CD1 3.36Å; L432-Y1010 HydrophobicContact CD1-CE1 4.03Å; L432-Y1010 HydrophobicContact CD1-CG 3.99Å; N1007-Y1010 PolarHBondContact O-N 3.12Å; N1007-Y1010 VanDerWaalsContact O-N 3.16Å; N1007-Y1010 PolarHBondContact OD1-N 2.81Å; Y1010-I1013 PolarHBondContact O-N 2.69Å; Y1010-L1014 HydrophobicContact CD1-CD1 3.99Å; Y1010-L1014 HydrophobicContact CD1-CG 4.19Å; Y1010-L1014 HydrophobicContact CE1-CD1 3.34Å; Y1010-L1014 HydrophobicContact CE1-CD2 4.38Å; Y1010-L1014 HydrophobicContact CE1-CG 3.74Å; Y1010-L1014 PolarHBondContact O-N 2.87Å; Y1010-L1014 VanDerWaalsContact O-N 3.08Å; Y1010-R1064 HydrophobicContact CE1-CG 4.45Å; Y1010-R1064 HydrophobicContact CE2-CB 3.91Å; Y1010-R1064 HydrophobicContact CE2-CG 4.03Å; Y1010-R1064 WeakPolarHBondContact OH-CD 3.18Å |
| 1011 | V | 84 | Confident | 71.8 | Confident | 46 Ų | 46 | 50.9 Ų | 50.9 | 28% | 0.279 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.5 | -46.1 | 174 | 176 | 0 | 0 | 0 | 0 | 110.5 | I1006 N1007 P1008 I1013 L1014 E1015 | I1006-V1011 HydrophobicContact CB-CG2 4.37Å; I1006-V1011 HydrophobicContact CG2-CG2 3.43Å; I1006-V1011 VanDerWaalsContact CG2-CG2 3.43Å; N1007-V1011 PolarHBondContact O-N 3.03Å; N1007-V1011 VanDerWaalsContact O-N 3.07Å; P1008-V1011 PolarHBondContact O-N 3.38Å; V1011-I1013 VanDerWaalsContact C-N 3.32Å; V1011-I1013 PolarHBondContact O-N 2.69Å; V1011-L1014 CarbonylContact O-C 3.54Å; V1011-L1014 PolarHBondContact O-N 2.76Å; V1011-E1015 HydrophobicContact CG1-CG 4.21Å; V1011-E1015 WeakPolarHBondContact O-CG 3.19Å; V1011-E1015 PolarHBondContact O-N 3.2Å |
| 1012 | H | 80.9 | Confident | 73.8 | Confident | 47 Ų | 47 | 52 Ų | 52 | 22% | 0.218 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.1 | -39.2 | 176.8 | -178.1 | -101.5 | 0 | 0 | 0 | 112.9 | P1008 Y1009 E1015 S1016 | P1008-H1012 WeakPolarHBondContact O-CB 3.47Å; P1008-H1012 PolarHBondContact O-N 2.96Å; Y1009-H1012 PolarHBondContact O-N 3.11Å; H1012-E1015 PolarHBondContact O-N 3.05Å; H1012-S1016 VanDerWaalsContact O-CB 3.29Å; H1012-S1016 WeakPolarHBondContact O-CB 3.24Å; H1012-S1016 PolarHBondContact O-N 3.3Å; H1012-S1016 PolarHBondContact O-OG 3.02Å |
| 1013 | I | 82.2 | Confident | 75.7 | Confident | 12 Ų | 12 | 48.3 Ų | 48.3 | 6% | 0.062 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -61 | -47.1 | 172.2 | -71.1 | 165.4 | 0 | 0 | 0 | 111.1 | L337 L808 Y1009 Y1010 V1011 S1016 L1017 L1060 | L337-I1013 HydrophobicContact CD2-CD1 4.45Å; L808-I1013 HydrophobicContact CD2-CG2 3.97Å; Y1009-I1013 HydrophobicContact CD1-CD1 4.03Å; Y1009-I1013 HydrophobicContact CE1-CD1 3.48Å; Y1009-I1013 VanDerWaalsContact CE1-CD1 3.48Å; Y1009-I1013 HydrophobicContact CE2-CD1 4.41Å; Y1009-I1013 WeakPolarHBondContact O-CG1 3.38Å; Y1009-I1013 PolarHBondContact O-N 2.95Å; Y1010-I1013 PolarHBondContact O-N 2.69Å; V1011-I1013 VanDerWaalsContact C-N 3.32Å; V1011-I1013 PolarHBondContact O-N 2.69Å; I1013-S1016 PolarHBondContact O-N 3.04Å; I1013-L1017 PolarHBondContact O-N 2.95Å; I1013-L1060 HydrophobicContact CG2-CD1 3.94Å |
| 1014 | L | 81.3 | Confident | 77.1 | Confident | 50 Ų | 50 | 45.3 Ų | 45.3 | 26% | 0.262 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -66.2 | -36.6 | 178.5 | -73.1 | -172.5 | 0 | 0 | 0 | 113.1 | Y1010 V1011 G1018 K1057 | Y1010-L1014 HydrophobicContact CD1-CD1 3.99Å; Y1010-L1014 HydrophobicContact CD1-CG 4.19Å; Y1010-L1014 HydrophobicContact CE1-CD1 3.34Å; Y1010-L1014 HydrophobicContact CE1-CD2 4.38Å; Y1010-L1014 HydrophobicContact CE1-CG 3.74Å; Y1010-L1014 PolarHBondContact O-N 2.87Å; Y1010-L1014 VanDerWaalsContact O-N 3.08Å; V1011-L1014 CarbonylContact O-C 3.54Å; V1011-L1014 PolarHBondContact O-N 2.76Å; L1014-G1018 PolarHBondContact O-N 3.5Å; L1014-K1057 HydrophobicContact CD2-CG 4.45Å |
| 1015 | E | 83.3 | Confident | 78.4 | Confident | 113 Ų | 113 | 43.2 Ų | 43.2 | 53% | 0.528 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -68.7 | -43.7 | 175.7 | -73.9 | -175.8 | 164.3 | 0 | 0 | 111.3 | V1011 H1012 L1017 G1018 T1019 | V1011-E1015 HydrophobicContact CG1-CG 4.21Å; V1011-E1015 WeakPolarHBondContact O-CG 3.19Å; V1011-E1015 PolarHBondContact O-N 3.2Å; H1012-E1015 PolarHBondContact O-N 3.05Å; E1015-L1017 PolarHBondContact O-N 3.42Å; E1015-G1018 CarbonylContact O-C 3.55Å; E1015-G1018 VanDerWaalsContact O-CA 3.31Å; E1015-G1018 WeakPolarHBondContact O-CA 3.08Å; E1015-G1018 PolarHBondContact O-N 3.11Å; E1015-T1019 WeakPolarHBondContact O-CG2 3.14Å; E1015-T1019 PolarHBondContact O-N 2.74Å |
| 1016 | S | 81.1 | Confident | 79.4 | Confident | 19 Ų | 19 | 47.3 Ų | 47.3 | 13% | 0.133 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -55.8 | -51.8 | 174.5 | -62.4 | 0 | 0 | 0 | 0 | 110.8 | H1012 I1013 G1018 T1019 L1020 | H1012-S1016 VanDerWaalsContact O-CB 3.29Å; H1012-S1016 WeakPolarHBondContact O-CB 3.24Å; H1012-S1016 PolarHBondContact O-N 3.3Å; H1012-S1016 PolarHBondContact O-OG 3.02Å; I1013-S1016 PolarHBondContact O-N 3.04Å; S1016-G1018 VanDerWaalsContact C-N 3.29Å; S1016-G1018 PolarHBondContact O-N 2.84Å; S1016-T1019 PolarHBondContact O-N 2.85Å; S1016-T1019 VanDerWaalsContact O-N 3.12Å; S1016-T1019 PolarHBondContact O-OG1 3.47Å; S1016-L1020 WeakPolarHBondContact O-CD1 3.4Å; S1016-L1020 WeakPolarHBondContact O-CG 3.25Å; S1016-L1020 PolarHBondContact O-N 2.88Å; S1016-L1020 VanDerWaalsContact O-N 3.11Å |
| 1017 | L | 76.2 | Confident | 79.5 | Confident | 4 Ų | 4 | 50.5 Ų | 50.5 | 2% | 0.021 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -56.9 | -41.2 | 171.1 | -75.4 | 179.1 | 0 | 0 | 0 | 112.6 | F807 L808 I1013 E1015 T1019 L1020 V1021 I1053 L1060 | F807-L1017 HydrophobicContact CE1-CD2 4.46Å; L808-L1017 HydrophobicContact CD2-CD1 4.01Å; L808-L1017 HydrophobicContact CD2-CD2 3.78Å; L808-L1017 HydrophobicContact CD2-CG 3.84Å; I1013-L1017 PolarHBondContact O-N 2.95Å; E1015-L1017 PolarHBondContact O-N 3.42Å; L1017-T1019 VanDerWaalsContact C-N 3.31Å; L1017-T1019 PolarHBondContact O-N 2.83Å; L1017-L1020 PolarHBondContact O-N 3.08Å; L1017-V1021 WeakPolarHBondContact O-CG2 3.17Å; L1017-V1021 PolarHBondContact O-N 3.19Å; L1017-I1053 HydrophobicContact CD2-CG2 4.21Å; L1017-L1060 HydrophobicContact CD1-CD1 3.37Å |
| 1018 | G | 78.3 | Confident | 78.6 | Confident | 28 Ų | 28 | 52.8 Ų | 52.8 | 29% | 0.289 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61.4 | -34.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | L1014 E1015 S1016 R1022 | L1014-G1018 PolarHBondContact O-N 3.5Å; E1015-G1018 CarbonylContact O-C 3.55Å; E1015-G1018 VanDerWaalsContact O-CA 3.31Å; E1015-G1018 WeakPolarHBondContact O-CA 3.08Å; E1015-G1018 PolarHBondContact O-N 3.11Å; S1016-G1018 VanDerWaalsContact C-N 3.29Å; S1016-G1018 PolarHBondContact O-N 2.84Å; G1018-R1022 WeakPolarHBondContact O-CG 3.2Å; G1018-R1022 PolarHBondContact O-N 2.67Å |
| 1019 | T | 81.3 | Confident | 77.7 | Confident | 59 Ų | 59 | 56 Ų | 56 | 36% | 0.362 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -70.7 | -40.5 | 172.9 | 67.6 | 0 | 0 | 0 | 0 | 111.6 | E1015 S1016 L1017 R1022 Q1023 | E1015-T1019 WeakPolarHBondContact O-CG2 3.14Å; E1015-T1019 PolarHBondContact O-N 2.74Å; S1016-T1019 PolarHBondContact O-N 2.85Å; S1016-T1019 VanDerWaalsContact O-N 3.12Å; S1016-T1019 PolarHBondContact O-OG1 3.47Å; L1017-T1019 VanDerWaalsContact C-N 3.31Å; L1017-T1019 PolarHBondContact O-N 2.83Å; T1019-R1022 WeakPolarHBondContact O-CB 3.21Å; T1019-R1022 PolarHBondContact O-N 3.25Å; T1019-R1022 VanDerWaalsContact O-N 3.12Å; T1019-Q1023 WeakPolarHBondContact O-CG 3.16Å; T1019-Q1023 PolarHBondContact O-N 2.93Å |
| 1020 | L | 74.7 | Confident | 76.5 | Confident | 9 Ų | 9 | 62 Ų | 62 | 5% | 0.047 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.1 | -43.6 | 178.4 | -66.8 | 157.6 | 0 | 0 | 0 | 111.4 | F807 W811 S1016 L1017 R1022 Q1023 E1024 I1053 | F807-L1020 HydrophobicContact CE1-CD1 3.71Å; F807-L1020 HydrophobicContact CE2-CD1 4.36Å; F807-L1020 HydrophobicContact CE2-CD2 4.3Å; F807-L1020 HydrophobicContact CZ-CB 4.41Å; F807-L1020 HydrophobicContact CZ-CD1 3.54Å; F807-L1020 HydrophobicContact CZ-CD2 3.84Å; F807-L1020 HydrophobicContact CZ-CG 4.12Å; W811-L1020 HydrophobicContact CD2-CD1 4.36Å; W811-L1020 HydrophobicContact CD2-CD2 4.32Å; W811-L1020 HydrophobicContact CE3-CD1 3.88Å; W811-L1020 HydrophobicContact CE3-CD2 4.01Å; W811-L1020 HydrophobicContact CE3-CG 4.05Å; W811-L1020 HydrophobicContact CH2-CD2 3.85Å; W811-L1020 HydrophobicContact CH2-CG 4.48Å; W811-L1020 HydrophobicContact CZ2-CD2 4.17Å; W811-L1020 HydrophobicContact CZ3-CD1 4.27Å; W811-L1020 HydrophobicContact CZ3-CD2 3.77Å; W811-L1020 HydrophobicContact CZ3-CG 3.92Å; S1016-L1020 WeakPolarHBondContact O-CD1 3.4Å; S1016-L1020 WeakPolarHBondContact O-CG 3.25Å; S1016-L1020 PolarHBondContact O-N 2.88Å; S1016-L1020 VanDerWaalsContact O-N 3.11Å; L1017-L1020 PolarHBondContact O-N 3.08Å; L1020-R1022 VanDerWaalsContact C-N 3.27Å; L1020-R1022 PolarHBondContact O-N 3.25Å; L1020-Q1023 PolarHBondContact O-N 3.45Å; L1020-Q1023 VanDerWaalsContact O-N 3.12Å; L1020-E1024 PolarHBondContact O-N 3.44Å; L1020-I1053 HydrophobicContact CB-CD1 4.5Å |
| 1021 | V | 76.7 | Confident | 74.9 | Confident | 30 Ų | 30 | 64.6 Ų | 64.6 | 18% | 0.182 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -53.5 | -43.1 | 170.6 | 171 | 0 | 0 | 0 | 0 | 111.9 | L1017 K1025 L1050 I1053 | L1017-V1021 WeakPolarHBondContact O-CG2 3.17Å; L1017-V1021 PolarHBondContact O-N 3.19Å; V1021-K1025 HydrophobicContact CG1-CD 4.32Å; V1021-K1025 WeakPolarHBondContact O-CB 3.47Å; V1021-K1025 WeakPolarHBondContact O-CG 3.33Å; V1021-K1025 PolarHBondContact O-N 3.22Å; V1021-K1025 VanDerWaalsContact O-N 3.11Å; V1021-L1050 HydrophobicContact CG1-CD1 3.78Å; V1021-I1053 HydrophobicContact CG2-CB 4Å; V1021-I1053 HydrophobicContact CG2-CG2 3.31Å |
| 1022 | R | 75.5 | Confident | 73.2 | Confident | 167 Ų | 167 | 68.8 Ų | 68.8 | 63% | 0.63 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -70.3 | -38.2 | 179.6 | -67.2 | 173.6 | -163.7 | -168.6 | 6.9 | 111.6 | G1018 T1019 L1020 N1026 | G1018-R1022 WeakPolarHBondContact O-CG 3.2Å; G1018-R1022 PolarHBondContact O-N 2.67Å; T1019-R1022 WeakPolarHBondContact O-CB 3.21Å; T1019-R1022 PolarHBondContact O-N 3.25Å; T1019-R1022 VanDerWaalsContact O-N 3.12Å; L1020-R1022 VanDerWaalsContact C-N 3.27Å; L1020-R1022 PolarHBondContact O-N 3.25Å; R1022-N1026 WeakPolarHBondContact O-CB 3.17Å; R1022-N1026 PolarHBondContact O-N 3.05Å; R1022-N1026 PolarHBondContact O-ND2 3Å; R1022-N1026 PolarHBondContact O-OD1 3.41Å |
| 1023 | Q | 76.9 | Confident | 71.7 | Confident | 88 Ų | 88 | 74.7 Ų | 74.7 | 41% | 0.411 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -64.1 | -45.9 | 177.6 | -71.7 | 177 | 15.2 | 0 | 0 | 111.4 | T1019 L1020 N1026 K1027 | T1019-Q1023 WeakPolarHBondContact O-CG 3.16Å; T1019-Q1023 PolarHBondContact O-N 2.93Å; L1020-Q1023 PolarHBondContact O-N 3.45Å; L1020-Q1023 VanDerWaalsContact O-N 3.12Å; Q1023-N1026 PolarHBondContact O-N 3.01Å; Q1023-K1027 WeakPolarHBondContact O-CG 3.31Å; Q1023-K1027 PolarHBondContact O-N 3.09Å; Q1023-K1027 VanDerWaalsContact O-N 3.12Å |
| 1024 | E | 76.1 | Confident | 70 | Confident | 27 Ų | 27 | 78 Ų | 78 | 13% | 0.126 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -65.1 | -44 | 176.3 | -63.2 | -45.3 | 129.3 | 0 | 0 | 112.3 | L1020 N1026 K1027 T1028 E1049 I1053 | L1020-E1024 PolarHBondContact O-N 3.44Å; E1024-N1026 PolarHBondContact O-N 2.84Å; E1024-K1027 WeakPolarHBondContact O-CB 3.2Å; E1024-K1027 PolarHBondContact O-N 3.25Å; E1024-K1027 WeakPolarHBondContact OE1-CE 3.25Å; E1024-K1027 IonicContact OE1-NZ 2.64Å; E1024-K1027 PolarHBondContact OE1-NZ 3.18Å; E1024-K1027 WeakPolarHBondContact OE2-CD 3.43Å; E1024-K1027 IonicContact OE2-NZ 3.04Å; E1024-K1027 PolarHBondContact OE2-NZ 2.77Å; E1024-T1028 PolarHBondContact O-N 2.91Å; E1024-E1049 HydrophobicContact CG-CB 4.32Å; E1024-I1053 HydrophobicContact CB-CD1 4.46Å; E1024-I1053 HydrophobicContact CG-CD1 3.76Å |
| 1025 | K | 76.1 | Confident | 68 | Low | 99 Ų | 99 | 81 Ų | 81 | 43% | 0.43 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -59 | -35.1 | 174.7 | -75 | -172.5 | -179 | -156.9 | 0 | 113.4 | V1021 T1028 N1029 L1050 | V1021-K1025 HydrophobicContact CG1-CD 4.32Å; V1021-K1025 WeakPolarHBondContact O-CB 3.47Å; V1021-K1025 WeakPolarHBondContact O-CG 3.33Å; V1021-K1025 PolarHBondContact O-N 3.22Å; V1021-K1025 VanDerWaalsContact O-N 3.11Å; K1025-T1028 WeakPolarHBondContact CA-OG1 3.5Å; K1025-T1028 PolarHBondContact O-OG1 2.95Å; K1025-N1029 PolarHBondContact O-N 3.16Å; K1025-N1029 VanDerWaalsContact O-N 3.15Å; K1025-N1029 PolarHBondContact O-OD1 3.33Å; K1025-L1050 HydrophobicContact CD-CD1 4.33Å; K1025-L1050 HydrophobicContact CD-CD2 4.49Å; K1025-L1050 VanDerWaalsContact CE-CD2 3.47Å; K1025-L1050 HydrophobicContact CG-CD1 4.12Å; K1025-L1050 HydrophobicContact CG-CD2 4.23Å |
| 1026 | N | 77.8 | Confident | 65.9 | Low | 94 Ų | 94 | 80.6 Ų | 80.6 | 50% | 0.503 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -71.3 | -33 | 176.2 | -70.4 | -11.9 | 0 | 0 | 0 | 111.9 | R1022 Q1023 E1024 H1030 | R1022-N1026 WeakPolarHBondContact O-CB 3.17Å; R1022-N1026 PolarHBondContact O-N 3.05Å; R1022-N1026 PolarHBondContact O-ND2 3Å; R1022-N1026 PolarHBondContact O-OD1 3.41Å; Q1023-N1026 PolarHBondContact O-N 3.01Å; E1024-N1026 PolarHBondContact O-N 2.84Å; N1026-H1030 PolarHBondContact O-CD2 3.48Å; N1026-H1030 PolarHBondContact O-N 3.08Å |
| 1027 | K | 75.1 | Confident | 63.8 | Low | 118 Ų | 118 | 85 Ų | 85 | 51% | 0.513 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -66.2 | -46.4 | 172.6 | -66.1 | 177.1 | -162.6 | 162.8 | 0 | 111.7 | Q1023 E1024 N1029 H1030 S1031 | Q1023-K1027 WeakPolarHBondContact O-CG 3.31Å; Q1023-K1027 PolarHBondContact O-N 3.09Å; Q1023-K1027 VanDerWaalsContact O-N 3.12Å; E1024-K1027 WeakPolarHBondContact O-CB 3.2Å; E1024-K1027 PolarHBondContact O-N 3.25Å; E1024-K1027 WeakPolarHBondContact OE1-CE 3.25Å; E1024-K1027 IonicContact OE1-NZ 2.64Å; E1024-K1027 PolarHBondContact OE1-NZ 3.18Å; E1024-K1027 WeakPolarHBondContact OE2-CD 3.43Å; E1024-K1027 IonicContact OE2-NZ 3.04Å; E1024-K1027 PolarHBondContact OE2-NZ 2.77Å; K1027-N1029 VanDerWaalsContact C-N 3.27Å; K1027-N1029 PolarHBondContact O-N 2.77Å; K1027-H1030 PolarHBondContact O-N 2.92Å; K1027-H1030 VanDerWaalsContact O-N 3.12Å; K1027-S1031 PolarHBondContact O-N 3.23Å |
| 1028 | T | 64.5 | Low | 62 | Low | 49 Ų | 49 | 90.3 Ų | 90.3 | 30% | 0.301 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.4 | -31.3 | 179.8 | 56.3 | 0 | 0 | 0 | 0 | 112.8 | E1024 K1025 S1031 N1032 | E1024-T1028 PolarHBondContact O-N 2.91Å; K1025-T1028 WeakPolarHBondContact CA-OG1 3.5Å; K1025-T1028 PolarHBondContact O-OG1 2.95Å; T1028-S1031 WeakPolarHBondContact CA-OG 3.42Å; T1028-S1031 PolarHBondContact O-OG 2.96Å; T1028-N1032 VanDerWaalsContact O-CG 3.27Å; T1028-N1032 PolarHBondContact O-OD1 2.87Å |
| 1029 | N | 62.7 | Low | 59.8 | Low | 100 Ų | 100 | 96.7 Ų | 96.7 | 54% | 0.535 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -70.8 | -37.5 | 174.1 | -69.4 | -3 | 0 | 0 | 0 | 111.7 | K1025 K1027 N1032 | K1025-N1029 PolarHBondContact O-N 3.16Å; K1025-N1029 VanDerWaalsContact O-N 3.15Å; K1025-N1029 PolarHBondContact O-OD1 3.33Å; K1027-N1029 VanDerWaalsContact C-N 3.27Å; K1027-N1029 PolarHBondContact O-N 2.77Å; N1029-N1032 PolarHBondContact O-N 3.48Å |
| 1030 | H | 56.4 | Low | 57.5 | Low | 139 Ų | 139 | 100 Ų | 100 | 64% | 0.644 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -74 | -24.3 | 178.1 | -77.9 | -50.7 | 0 | 0 | 0 | 114.4 | N1026 K1027 N1032 | N1026-H1030 PolarHBondContact O-CD2 3.48Å; N1026-H1030 PolarHBondContact O-N 3.08Å; K1027-H1030 PolarHBondContact O-N 2.92Å; K1027-H1030 VanDerWaalsContact O-N 3.12Å; H1030-N1032 VanDerWaalsContact C-N 3.34Å |
| 1031 | S | 52 | Low | 55.5 | Low | 59 Ų | 59 | 105.7 Ų | 105.7 | 41% | 0.413 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -70.7 | -30.3 | 171.4 | 49.8 | 0 | 0 | 0 | 0 | 112.7 | K1027 T1028 E1033 A1034 | K1027-S1031 PolarHBondContact O-N 3.23Å; T1028-S1031 WeakPolarHBondContact CA-OG 3.42Å; T1028-S1031 PolarHBondContact O-OG 2.96Å; S1031-E1033 PolarHBondContact O-N 3.04Å; S1031-A1034 PolarHBondContact O-N 3.49Å |
| 1032 | N | 48.4 | Very low | 53.4 | Low | 134 Ų | 134 | 111.7 Ų | 111.7 | 72% | 0.717 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -81.3 | -13.9 | -172.2 | -67.7 | 8.9 | 0 | 0 | 0 | 114 | T1028 N1029 H1030 A1034 | T1028-N1032 VanDerWaalsContact O-CG 3.27Å; T1028-N1032 PolarHBondContact O-OD1 2.87Å; N1029-N1032 PolarHBondContact O-N 3.48Å; H1030-N1032 VanDerWaalsContact C-N 3.34Å; N1032-A1034 VanDerWaalsContact C-N 3.32Å |
| 1033 | E | 50 | Low | 51.5 | Low | 171 Ų | 171 | 111 Ų | 111 | 80% | 0.799 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.4 | -0.7 | 173 | -71.9 | -177.1 | 155.4 | 0 | 0 | 113.1 | S1031 | S1031-E1033 PolarHBondContact O-N 3.04Š|
| 1034 | A | 45.3 | Very low | 49.5 | Very low | 80 Ų | 80 | 113.9 Ų | 113.9 | 66% | 0.661 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -147.3 | 41.5 | -169.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | S1031 N1032 | S1031-A1034 PolarHBondContact O-N 3.49Å; N1032-A1034 VanDerWaalsContact C-N 3.32Å |
| 1035 | V | 40.6 | Very low | 47.5 | Very low | 115 Ų | 115 | 122.6 Ų | 122.6 | 70% | 0.697 | 68% | 0.677 | S | S | * | * | trans | -136.9 | 100.2 | 164.7 | -172.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1036 | S | 37.3 | Very low | 45.9 | Very low | 104 Ų | 104 | 124.7 Ų | 124.7 | 73% | 0.727 | 69% | 0.693 | S | S | * | * | trans | -78.9 | 120.7 | 159.6 | 52.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1037 | S | 37.3 | Very low | 44.6 | Very low | 110 Ų | 110 | 125.8 Ų | 125.8 | 77% | 0.769 | 70% | 0.697 | S | S | * | * | trans | 33.2 | 85.6 | 156.3 | 62.3 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1038 | V | 38.3 | Very low | 44.5 | Very low | 117 Ų | 117 | 123.3 Ų | 123.3 | 71% | 0.709 | 69% | 0.689 | S | S | * | * | trans | -132.2 | 112 | 150.1 | -179.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1039 | N | 33.6 | Very low | 44.9 | Very low | 161 Ų | 161 | 123 Ų | 123 | 86% | 0.861 | 68% | 0.684 | S | S | * | * | trans | -76.7 | 123.9 | 171.9 | -65.5 | -26.3 | 0 | 0 | 0 | 109.1 | ||||
| 1040 | T | 31.7 | Very low | 45.6 | Very low | 130 Ų | 130 | 120.2 Ų | 120.2 | 80% | 0.798 | 67% | 0.669 | S | S | * | * | trans | -154.6 | 121.7 | 155.5 | 16.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1041 | T | 32.3 | Very low | 46.7 | Very low | 127 Ų | 127 | 117.3 Ų | 117.3 | 78% | 0.779 | 66% | 0.658 | S | S | * | * | trans | -77.4 | 115.1 | -178 | 46 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1042 | D | 34.1 | Very low | 47.9 | Very low | 156 Ų | 156 | 117.5 Ų | 117.5 | 83% | 0.834 | 65% | 0.65 | S | S | * | * | trans | -151.5 | 45 | 171.1 | -113.8 | -20.1 | 0 | 0 | 0 | 111 | N1044 | D1042-N1044 VanDerWaalsContact C-N 3.28Å; D1042-N1044 PolarHBondContact O-N 3.46Å; D1042-N1044 VanDerWaalsContact O-N 3.09Å | ||
| 1043 | D | 34.7 | Very low | 49.4 | Very low | 152 Ų | 152 | 111.3 Ų | 111.3 | 81% | 0.813 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.9 | 11.9 | -164.1 | -76.7 | -46.6 | 0 | 0 | 0 | 116.6 | ||
| 1044 | N | 35.6 | Very low | 50.9 | Low | 149 Ų | 149 | 107.2 Ų | 107.2 | 80% | 0.797 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.7 | 4.8 | -165.8 | -100.4 | -21.3 | 0 | 0 | 0 | 118 | D1042 | D1042-N1044 VanDerWaalsContact C-N 3.28Å; D1042-N1044 PolarHBondContact O-N 3.46Å; D1042-N1044 VanDerWaalsContact O-N 3.09Å |
| 1045 | F | 34.3 | Very low | 52.7 | Low | 210 Ų | 210 | 107.5 Ų | 107.5 | 92% | 0.921 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -135.5 | 1.9 | 175.8 | -83.5 | -72.7 | 0 | 0 | 0 | 117 | M1047 | F1045-M1047 PolarHBondContact O-N 2.59Š|
| 1046 | N | 42.1 | Very low | 54.6 | Low | 143 Ų | 143 | 103 Ų | 103 | 77% | 0.765 | 56% | 0.559 | S | S | * | * | trans | -93.8 | 69 | -179.2 | -159.6 | 3 | 0 | 0 | 0 | 112.6 | N1048 | N1046-N1048 VanDerWaalsContact C-N 3.29Å; N1046-N1048 PolarHBondContact O-N 2.7Å | ||
| 1047 | M | 50.7 | Low | 56.8 | Low | 117 Ų | 117 | 101.1 Ų | 101.1 | 58% | 0.576 | 54% | 0.538 | S | S | * | . | trans | -61.4 | 98.2 | 158.2 | -99.8 | -70.3 | -83.6 | 0 | 0 | 107.7 | F1045 E1049 N1051 | F1045-M1047 PolarHBondContact O-N 2.59Å; M1047-E1049 PolarHBondContact O-N 2.88Å; M1047-N1051 HydrophobicContact CE-CB 3.8Å; M1047-N1051 HydrophobicContact SD-CB 4.24Å | ||
| 1048 | N | 71.7 | Confident | 59.2 | Low | 66 Ų | 66 | 100 Ų | 100 | 35% | 0.353 | 52% | 0.521 | S | S | . | . | trans | -39.6 | 126.6 | -177.2 | -177.7 | -19.4 | 0 | 0 | 0 | 110.3 | N1046 L1050 N1051 R1052 | N1046-N1048 VanDerWaalsContact C-N 3.29Å; N1046-N1048 PolarHBondContact O-N 2.7Å; N1048-L1050 CarbonylContact O-C 3.46Å; N1048-L1050 PolarHBondContact O-N 3.34Å; N1048-L1050 WeakPolarHBondContact OD1-CB 3.38Å; N1048-L1050 PolarHBondContact OD1-N 2.99Å; N1048-L1050 VanDerWaalsContact OD1-N 3.12Å; N1048-N1051 WeakPolarHBondContact O-CA 3.39Å; N1048-N1051 VanDerWaalsContact O-CB 3.31Å; N1048-N1051 WeakPolarHBondContact O-CB 3.38Å; N1048-N1051 PolarHBondContact O-N 3.03Å; N1048-R1052 PolarHBondContact O-N 2.81Å | ||
| 1049 | E | 74 | Confident | 61.5 | Low | 43 Ų | 43 | 95.2 Ų | 95.2 | 20% | 0.201 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -50.3 | -30.1 | -178 | -79.5 | -63.5 | 143.5 | 0 | 0 | 112.7 | E1024 M1047 N1051 R1052 I1053 | E1024-E1049 HydrophobicContact CG-CB 4.32Å; M1047-E1049 PolarHBondContact O-N 2.88Å; E1049-N1051 PolarHBondContact O-N 3.49Å; E1049-R1052 WeakPolarHBondContact O-CB 3.33Å; E1049-R1052 PolarHBondContact O-N 3.08Å; E1049-R1052 VanDerWaalsContact OE1-CD 3.29Å; E1049-R1052 WeakPolarHBondContact OE1-CD 3.41Å; E1049-R1052 IonicContact OE1-CZ 2.96Å; E1049-R1052 IonicContact OE1-NE 3.75Å; E1049-R1052 IonicContact OE1-NH1 2.69Å; E1049-R1052 PolarHBondContact OE1-NH1 3.03Å; E1049-I1053 WeakPolarHBondContact O-CG1 3.49Å; E1049-I1053 PolarHBondContact O-N 3.46Å |
| 1050 | L | 77.6 | Confident | 64 | Low | 41 Ų | 41 | 87.8 Ų | 87.8 | 22% | 0.215 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -58.1 | -42.9 | 171 | 178.5 | 60.8 | 0 | 0 | 0 | 113.8 | V1021 K1025 N1048 I1053 Q1054 | V1021-L1050 HydrophobicContact CG1-CD1 3.78Å; K1025-L1050 HydrophobicContact CD-CD1 4.33Å; K1025-L1050 HydrophobicContact CD-CD2 4.49Å; K1025-L1050 VanDerWaalsContact CE-CD2 3.47Å; K1025-L1050 HydrophobicContact CG-CD1 4.12Å; K1025-L1050 HydrophobicContact CG-CD2 4.23Å; N1048-L1050 CarbonylContact O-C 3.46Å; N1048-L1050 PolarHBondContact O-N 3.34Å; N1048-L1050 WeakPolarHBondContact OD1-CB 3.38Å; N1048-L1050 PolarHBondContact OD1-N 2.99Å; N1048-L1050 VanDerWaalsContact OD1-N 3.12Å; L1050-I1053 PolarHBondContact O-N 2.99Å; L1050-Q1054 WeakPolarHBondContact O-CB 3.49Å; L1050-Q1054 PolarHBondContact O-N 2.77Å |
| 1051 | N | 80 | Confident | 66.7 | Low | 78 Ų | 78 | 84.8 Ų | 84.8 | 42% | 0.417 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -67.3 | -38.9 | 177 | -66.3 | -7.9 | 0 | 0 | 0 | 110.8 | M1047 N1048 E1049 Q1054 L1055 | M1047-N1051 HydrophobicContact CE-CB 3.8Å; M1047-N1051 HydrophobicContact SD-CB 4.24Å; N1048-N1051 WeakPolarHBondContact O-CA 3.39Å; N1048-N1051 VanDerWaalsContact O-CB 3.31Å; N1048-N1051 WeakPolarHBondContact O-CB 3.38Å; N1048-N1051 PolarHBondContact O-N 3.03Å; E1049-N1051 PolarHBondContact O-N 3.49Å; N1051-Q1054 PolarHBondContact O-N 2.95Å; N1051-L1055 PolarHBondContact O-N 3.1Å |
| 1052 | R | 77.3 | Confident | 69.3 | Low | 64 Ų | 64 | 83.2 Ų | 83.2 | 24% | 0.242 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -56 | -60.6 | 170.3 | -61.4 | 176.9 | 102.4 | -179.8 | 1.2 | 108.2 | V801 D802 N1048 E1049 Q1054 L1055 L1056 | V801-R1052 PolarHBondContact O-NH1 3.43Å; V801-R1052 VanDerWaalsContact O-NH1 3.1Å; D802-R1052 IonicContact OD1-CZ 2.65Å; D802-R1052 IonicContact OD1-NH1 3.7Å; D802-R1052 PolarHBondContact OD1-NH1 2.95Å; D802-R1052 IonicContact OD1-NH2 3.82Å; D802-R1052 PolarHBondContact OD1-NH2 3.39Å; N1048-R1052 PolarHBondContact O-N 2.81Å; E1049-R1052 WeakPolarHBondContact O-CB 3.33Å; E1049-R1052 PolarHBondContact O-N 3.08Å; E1049-R1052 VanDerWaalsContact OE1-CD 3.29Å; E1049-R1052 WeakPolarHBondContact OE1-CD 3.41Å; E1049-R1052 IonicContact OE1-CZ 2.96Å; E1049-R1052 IonicContact OE1-NE 3.75Å; E1049-R1052 IonicContact OE1-NH1 2.69Å; E1049-R1052 PolarHBondContact OE1-NH1 3.03Å; R1052-Q1054 VanDerWaalsContact C-N 3.25Å; R1052-Q1054 PolarHBondContact O-N 3.05Å; R1052-Q1054 VanDerWaalsContact O-N 3.12Å; R1052-L1055 WeakPolarHBondContact O-CB 3.4Å; R1052-L1055 PolarHBondContact O-N 3.13Å; R1052-L1056 WeakPolarHBondContact O-CG 3.48Å; R1052-L1056 PolarHBondContact O-N 2.92Å |
| 1053 | I | 79.2 | Confident | 72 | Confident | 4 Ų | 4 | 75.9 Ų | 75.9 | 2% | 0.021 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -59.3 | -31.8 | -176.4 | -53.8 | 161.6 | 0 | 0 | 0 | 113.5 | L1017 L1020 V1021 E1024 E1049 L1050 K1057 | L1017-I1053 HydrophobicContact CD2-CG2 4.21Å; L1020-I1053 HydrophobicContact CB-CD1 4.5Å; V1021-I1053 HydrophobicContact CG2-CB 4Å; V1021-I1053 HydrophobicContact CG2-CG2 3.31Å; E1024-I1053 HydrophobicContact CB-CD1 4.46Å; E1024-I1053 HydrophobicContact CG-CD1 3.76Å; E1049-I1053 WeakPolarHBondContact O-CG1 3.49Å; E1049-I1053 PolarHBondContact O-N 3.46Å; L1050-I1053 PolarHBondContact O-N 2.99Å; I1053-K1057 PolarHBondContact O-N 3.41Å; I1053-K1057 VanDerWaalsContact O-N 3.15Å |
| 1054 | Q | 82 | Confident | 74.7 | Confident | 84 Ų | 84 | 71 Ų | 71 | 39% | 0.393 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -67.6 | -46.8 | 174 | -179.5 | 56.9 | 32.7 | 0 | 0 | 112.5 | L1050 N1051 R1052 L1056 K1057 E1058 | L1050-Q1054 WeakPolarHBondContact O-CB 3.49Å; L1050-Q1054 PolarHBondContact O-N 2.77Å; N1051-Q1054 PolarHBondContact O-N 2.95Å; R1052-Q1054 VanDerWaalsContact C-N 3.25Å; R1052-Q1054 PolarHBondContact O-N 3.05Å; R1052-Q1054 VanDerWaalsContact O-N 3.12Å; Q1054-L1056 VanDerWaalsContact C-N 3.27Å; Q1054-L1056 PolarHBondContact O-N 2.87Å; Q1054-K1057 WeakPolarHBondContact O-CB 3.15Å; Q1054-K1057 PolarHBondContact O-N 2.81Å; Q1054-E1058 PolarHBondContact NE2-OE1 2.55Å; Q1054-E1058 PolarHBondContact O-N 3.19Å; Q1054-E1058 VanDerWaalsContact O-N 3.11Å |
| 1055 | L | 83.1 | Confident | 77.4 | Confident | 87 Ų | 87 | 68.7 Ų | 68.7 | 46% | 0.455 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -56.9 | -42.6 | 173.7 | 175.4 | 64.2 | 0 | 0 | 0 | 111.4 | N1051 R1052 K1057 E1058 Q1059 | N1051-L1055 PolarHBondContact O-N 3.1Å; R1052-L1055 WeakPolarHBondContact O-CB 3.4Å; R1052-L1055 PolarHBondContact O-N 3.13Å; L1055-K1057 VanDerWaalsContact C-N 3.3Å; L1055-K1057 PolarHBondContact O-N 3.23Å; L1055-E1058 WeakPolarHBondContact O-CB 3.34Å; L1055-E1058 PolarHBondContact O-N 3.05Å; L1055-E1058 VanDerWaalsContact O-N 3.1Å; L1055-Q1059 HydrophobicContact CD1-CG 4.29Å; L1055-Q1059 HydrophobicContact CG-CG 4.48Å; L1055-Q1059 WeakPolarHBondContact O-CG 3.24Å; L1055-Q1059 PolarHBondContact O-N 2.84Å; L1055-Q1059 PolarHBondContact O-OE1 3.42Å |
| 1056 | L | 80.8 | Confident | 80 | Confident | 19 Ų | 19 | 58.7 Ų | 58.7 | 10% | 0.099 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.8 | -38.7 | 179.1 | -62.6 | 173.7 | 0 | 0 | 0 | 112.4 | L804 R1052 Q1054 L1060 | L804-L1056 HydrophobicContact CB-CD2 3.88Å; L804-L1056 HydrophobicContact CD1-CB 4.01Å; L804-L1056 HydrophobicContact CD1-CD1 3.51Å; L804-L1056 HydrophobicContact CD1-CD2 3.39Å; L804-L1056 HydrophobicContact CD1-CG 3.75Å; L804-L1056 HydrophobicContact CD2-CD2 3.35Å; L804-L1056 HydrophobicContact CG-CD2 3.66Å; R1052-L1056 WeakPolarHBondContact O-CG 3.48Å; R1052-L1056 PolarHBondContact O-N 2.92Å; Q1054-L1056 VanDerWaalsContact C-N 3.27Å; Q1054-L1056 PolarHBondContact O-N 2.87Å; L1056-L1060 WeakPolarHBondContact O-CG 3.3Å; L1056-L1060 PolarHBondContact O-N 3.41Å; L1056-L1060 VanDerWaalsContact O-N 3.09Å |
| 1057 | K | 83.1 | Confident | 82.2 | Confident | 65 Ų | 65 | 55.6 Ų | 55.6 | 28% | 0.283 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -68.1 | -37.4 | 174.9 | -175.5 | -177 | 175.4 | -172.6 | 0 | 112 | L1014 I1053 Q1054 L1055 Q1061 | L1014-K1057 HydrophobicContact CD2-CG 4.45Å; I1053-K1057 PolarHBondContact O-N 3.41Å; I1053-K1057 VanDerWaalsContact O-N 3.15Å; Q1054-K1057 WeakPolarHBondContact O-CB 3.15Å; Q1054-K1057 PolarHBondContact O-N 2.81Å; L1055-K1057 VanDerWaalsContact C-N 3.3Å; L1055-K1057 PolarHBondContact O-N 3.23Å; K1057-Q1061 WeakPolarHBondContact O-CG 3.44Å; K1057-Q1061 PolarHBondContact O-N 3.28Å; K1057-Q1061 VanDerWaalsContact O-N 3.11Å |
| 1058 | E | 86.6 | Confident | 84 | Confident | 86 Ų | 86 | 51 Ų | 51 | 40% | 0.402 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -69.1 | -43.3 | 176.8 | -71.6 | 169.1 | -161.8 | 0 | 0 | 111.6 | Q1054 L1055 L1060 Q1061 Q1062 | Q1054-E1058 PolarHBondContact NE2-OE1 2.55Å; Q1054-E1058 PolarHBondContact O-N 3.19Å; Q1054-E1058 VanDerWaalsContact O-N 3.11Å; L1055-E1058 WeakPolarHBondContact O-CB 3.34Å; L1055-E1058 PolarHBondContact O-N 3.05Å; L1055-E1058 VanDerWaalsContact O-N 3.1Å; E1058-L1060 PolarHBondContact O-N 3.46Å; E1058-Q1061 WeakPolarHBondContact O-CB 3.16Å; E1058-Q1061 PolarHBondContact O-N 3.06Å; E1058-Q1061 VanDerWaalsContact O-N 3.1Å; E1058-Q1062 WeakPolarHBondContact O-CG 3.32Å; E1058-Q1062 PolarHBondContact O-N 2.83Å |
| 1059 | Q | 86.1 | Confident | 85 | Confident | 18 Ų | 18 | 47.8 Ų | 47.8 | 8% | 0.084 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.3 | -40.4 | 174.6 | -70.7 | 168.7 | -52.2 | 0 | 0 | 112 | F460 I464 L1055 Q1061 Q1062 L1063 | F460-Q1059 HydrophobicContact CD2-CB 4.36Å; F460-Q1059 HydrophobicContact CD2-CG 4.19Å; F460-Q1059 HydrophobicContact CE2-CB 4.37Å; F460-Q1059 PolarHBondContact O-NE2 3.25Å; I464-Q1059 VanDerWaalsContact CD1-NE2 3.33Å; L1055-Q1059 HydrophobicContact CD1-CG 4.29Å; L1055-Q1059 HydrophobicContact CG-CG 4.48Å; L1055-Q1059 WeakPolarHBondContact O-CG 3.24Å; L1055-Q1059 PolarHBondContact O-N 2.84Å; L1055-Q1059 PolarHBondContact O-OE1 3.42Å; Q1059-Q1061 VanDerWaalsContact C-N 3.35Å; Q1059-Q1061 PolarHBondContact O-N 2.89Å; Q1059-Q1062 PolarHBondContact O-N 2.96Å; Q1059-L1063 WeakPolarHBondContact O-CG 3.35Å; Q1059-L1063 PolarHBondContact O-N 2.99Å |
| 1060 | L | 87 | Confident | 85.6 | Confident | 4 Ų | 4 | 48.4 Ų | 48.4 | 2% | 0.021 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.9 | -37 | 172.1 | -77.1 | 172.1 | 0 | 0 | 0 | 113 | L337 L808 I1013 L1017 L1056 E1058 Q1062 L1063 R1064 | L337-L1060 HydrophobicContact CD2-CD2 3.85Å; L337-L1060 HydrophobicContact CG-CD2 4.44Å; L808-L1060 HydrophobicContact CD1-CD1 4.01Å; L808-L1060 HydrophobicContact CD1-CD2 4.15Å; L808-L1060 HydrophobicContact CD1-CG 4.34Å; L808-L1060 HydrophobicContact CD2-CD1 4.31Å; I1013-L1060 HydrophobicContact CG2-CD1 3.94Å; L1017-L1060 HydrophobicContact CD1-CD1 3.37Å; L1056-L1060 WeakPolarHBondContact O-CG 3.3Å; L1056-L1060 PolarHBondContact O-N 3.41Å; L1056-L1060 VanDerWaalsContact O-N 3.09Å; E1058-L1060 PolarHBondContact O-N 3.46Å; L1060-Q1062 VanDerWaalsContact C-N 3.35Å; L1060-L1063 HydrophobicContact CD2-CD1 4.29Å; L1060-R1064 VanDerWaalsContact O-CB 3.24Å; L1060-R1064 WeakPolarHBondContact O-CB 3.36Å; L1060-R1064 PolarHBondContact O-N 2.84Å |
| 1061 | Q | 87.9 | Confident | 86.1 | Confident | 68 Ų | 68 | 49.4 Ų | 49.4 | 32% | 0.318 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -68.7 | -32.5 | 174.7 | -74 | -177.3 | 9 | 0 | 0 | 112.9 | K1057 E1058 Q1059 K1065 | K1057-Q1061 WeakPolarHBondContact O-CG 3.44Å; K1057-Q1061 PolarHBondContact O-N 3.28Å; K1057-Q1061 VanDerWaalsContact O-N 3.11Å; E1058-Q1061 WeakPolarHBondContact O-CB 3.16Å; E1058-Q1061 PolarHBondContact O-N 3.06Å; E1058-Q1061 VanDerWaalsContact O-N 3.1Å; Q1059-Q1061 VanDerWaalsContact C-N 3.35Å; Q1059-Q1061 PolarHBondContact O-N 2.89Å; Q1061-K1065 WeakPolarHBondContact O-CG 3.38Å |
| 1062 | Q | 88.2 | Confident | 86.4 | Confident | 94 Ų | 94 | 50.6 Ų | 50.6 | 44% | 0.439 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -69.3 | -50.1 | 172.3 | -69.2 | 177.6 | 14.7 | 0 | 0 | 110.8 | F460 E1058 Q1059 L1060 R1064 K1065 | F460-Q1062 HydrophobicContact CE2-CB 4.16Å; F460-Q1062 HydrophobicContact CZ-CB 4.16Å; E1058-Q1062 WeakPolarHBondContact O-CG 3.32Å; E1058-Q1062 PolarHBondContact O-N 2.83Å; Q1059-Q1062 PolarHBondContact O-N 2.96Å; L1060-Q1062 VanDerWaalsContact C-N 3.35Å; Q1062-R1064 PolarHBondContact O-N 3.45Å; Q1062-K1065 PolarHBondContact O-N 2.87Å |
| 1063 | L | 90.6 | Very high | 86.9 | Confident | 2 Ų | 2 | 50.7 Ų | 50.7 | 1% | 0.01 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -51.5 | -55.7 | 174.8 | -80.4 | 170.2 | 0 | 0 | 0 | 111.2 | P336 L337 Y438 Y457 F460 L461 Q1059 L1060 K1065 A1066 | P336-L1063 HydrophobicContact CG-CD1 4.19Å; L337-L1063 HydrophobicContact CD1-CB 4Å; Y438-L1063 WeakPolarHBondContact CE2-O 3.43Å; Y438-L1063 PolarHBondContact OH-O 2.73Å; Y457-L1063 HydrophobicContact CE1-CD2 4.45Å; F460-L1063 HydrophobicContact CE2-CD2 4.16Å; F460-L1063 HydrophobicContact CE2-CG 3.86Å; F460-L1063 HydrophobicContact CZ-CD2 3.7Å; F460-L1063 HydrophobicContact CZ-CG 3.79Å; L461-L1063 HydrophobicContact CD1-CD1 4.14Å; L461-L1063 HydrophobicContact CD1-CD2 3.88Å; L461-L1063 HydrophobicContact CD1-CG 4.46Å; L461-L1063 HydrophobicContact CD2-CD1 4Å; L461-L1063 HydrophobicContact CD2-CG 4.36Å; L461-L1063 HydrophobicContact CG-CD2 4.38Å; Q1059-L1063 WeakPolarHBondContact O-CG 3.35Å; Q1059-L1063 PolarHBondContact O-N 2.99Å; L1060-L1063 HydrophobicContact CD2-CD1 4.29Å; L1063-K1065 PolarHBondContact O-N 2.64Å; L1063-A1066 PolarHBondContact O-N 2.85Å |
| 1064 | R | 91.6 | Very high | 87.3 | Confident | 49 Ų | 49 | 50.6 Ų | 50.6 | 19% | 0.185 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -47.6 | -40.5 | -179.3 | -179.5 | -156.9 | 135.4 | -178.1 | 0.6 | 113.1 | D430 Y431 L432 Y1010 L1060 Q1062 A1066 | D430-R1064 WeakPolarHBondContact CA-O 3.5Å; D430-R1064 VanDerWaalsContact OD1-CG 3.25Å; D430-R1064 WeakPolarHBondContact OD1-CG 3.45Å; D430-R1064 IonicContact OD1-CZ 3.8Å; D430-R1064 IonicContact OD1-NE 3.57Å; D430-R1064 PolarHBondContact OD1-NE 3.19Å; D430-R1064 IonicContact OD1-NH2 3.51Å; D430-R1064 IonicContact OD2-CZ 3.07Å; D430-R1064 IonicContact OD2-NE 3.39Å; D430-R1064 PolarHBondContact OD2-NE 3.1Å; D430-R1064 IonicContact OD2-NH2 2.83Å; D430-R1064 PolarHBondContact OD2-NH2 3.23Å; Y431-R1064 PolarHBondContact N-O 2.92Å; L432-R1064 HydrophobicContact CB-CG 4.24Å; Y1010-R1064 HydrophobicContact CE1-CG 4.45Å; Y1010-R1064 HydrophobicContact CE2-CB 3.91Å; Y1010-R1064 HydrophobicContact CE2-CG 4.03Å; Y1010-R1064 WeakPolarHBondContact OH-CD 3.18Å; L1060-R1064 VanDerWaalsContact O-CB 3.24Å; L1060-R1064 WeakPolarHBondContact O-CB 3.36Å; L1060-R1064 PolarHBondContact O-N 2.84Å; Q1062-R1064 PolarHBondContact O-N 3.45Å; R1064-A1066 VanDerWaalsContact C-N 3.3Å; R1064-A1066 PolarHBondContact O-N 3.39Å |
| 1065 | K | 90.5 | Very high | 87.5 | Confident | 101 Ų | 101 | 49.3 Ų | 49.3 | 44% | 0.439 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -8.5 | -176.1 | -73.1 | 174.9 | 179.3 | 174.8 | 0 | 114.5 | K428 Q1061 Q1062 L1063 D1067 | K428-K1065 WeakPolarHBondContact CE-O 3.28Å; Q1061-K1065 WeakPolarHBondContact O-CG 3.38Å; Q1062-K1065 PolarHBondContact O-N 2.87Å; L1063-K1065 PolarHBondContact O-N 2.64Å; K1065-D1067 WeakPolarHBondContact CB-OD2 3.26Å; K1065-D1067 PolarHBondContact O-N 3.49Å |
| 1066 | A | 90.4 | Very high | 87.4 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.9 | 28.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | P429 Y438 L1063 R1064 H1068 L1069 | P429-A1066 HydrophobicContact CG-CB 4.43Å; P429-A1066 WeakPolarHBondContact O-CB 3.4Å; Y438-A1066 HydrophobicContact CD2-CB 3.88Å; Y438-A1066 HydrophobicContact CE2-CB 3.77Å; L1063-A1066 PolarHBondContact O-N 2.85Å; R1064-A1066 VanDerWaalsContact C-N 3.3Å; R1064-A1066 PolarHBondContact O-N 3.39Å; A1066-H1068 VanDerWaalsContact C-N 3.29Å; A1066-H1068 PolarHBondContact O-N 3.45Å; A1066-L1069 HydrophobicContact CB-CB 4.17Å; A1066-L1069 HydrophobicContact CB-CD1 4.05Å; A1066-L1069 HydrophobicContact CB-CG 4.29Å; A1066-L1069 CarbonylContact O-C 3.53Å; A1066-L1069 PolarHBondContact O-N 3.47Å; A1066-L1069 VanDerWaalsContact O-N 3.13Å |
| 1067 | D | 88.8 | Confident | 87.3 | Confident | 77 Ų | 77 | 53 Ų | 53 | 41% | 0.412 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -60.6 | -39.6 | 177.6 | -80.4 | -62.7 | 0 | 0 | 0 | 111.4 | K428 K1065 L1069 S1070 | K428-D1067 VanDerWaalsContact CE-OD1 3.24Å; K428-D1067 WeakPolarHBondContact CE-OD1 3.38Å; K428-D1067 IonicContact NZ-OD1 3.91Å; K428-D1067 PolarHBondContact NZ-OD1 2.65Å; K428-D1067 IonicContact NZ-OD2 2.72Å; K1065-D1067 WeakPolarHBondContact CB-OD2 3.26Å; K1065-D1067 PolarHBondContact O-N 3.49Å; D1067-L1069 VanDerWaalsContact C-N 3.32Å; D1067-L1069 PolarHBondContact O-N 2.83Å; D1067-S1070 PolarHBondContact O-N 3.02Å; D1067-S1070 PolarHBondContact O-OG 2.87Å |
| 1068 | H | 88.5 | Confident | 86.9 | Confident | 20 Ų | 20 | 51 Ų | 51 | 9% | 0.093 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -63.6 | -33.8 | 173.8 | 61.8 | -60.4 | 0 | 0 | 0 | 113.3 | Y457 F460 A1066 S1070 D1071 | Y457-H1068 AromaticContact CE1-CD2 3.96Å; Y457-H1068 AromaticContact CE1-NE2 3.62Å; Y457-H1068 AromaticContact CZ-CD2 3.88Å; Y457-H1068 AromaticContact CZ-NE2 3.41Å; Y457-H1068 PolarHBondContact OH-NE2 3.28Å; Y457-H1068 VanDerWaalsContact OH-NE2 3.14Å; F460-H1068 HydrophobicContact CE1-CB 4.04Å; A1066-H1068 VanDerWaalsContact C-N 3.29Å; A1066-H1068 PolarHBondContact O-N 3.45Å; H1068-S1070 PolarHBondContact O-N 3.4Å; H1068-S1070 VanDerWaalsContact O-N 3.09Å; H1068-D1071 WeakPolarHBondContact O-CB 3.09Å; H1068-D1071 PolarHBondContact O-N 3.31Å |
| 1069 | L | 91.3 | Very high | 86.1 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -76.4 | 16.4 | 172.6 | -51.5 | -179.3 | 0 | 0 | 0 | 112.9 | Y438 K441 A442 T445 Y457 A1066 D1067 H1164 | Y438-L1069 HydrophobicContact CD2-CD1 4.35Å; Y438-L1069 HydrophobicContact CE2-CD1 4.1Å; K441-L1069 HydrophobicContact CB-CD1 4.31Å; K441-L1069 HydrophobicContact CD-CB 3.99Å; K441-L1069 HydrophobicContact CD-CD1 4.46Å; K441-L1069 WeakPolarHBondContact CE-O 3.18Å; K441-L1069 HydrophobicContact CG-CB 4.37Å; K441-L1069 HydrophobicContact CG-CD1 4.37Å; K441-L1069 PolarHBondContact NZ-O 3.11Å; A442-L1069 HydrophobicContact CB-CD1 3.98Å; T445-L1069 HydrophobicContact CG2-CD2 4.3Å; Y457-L1069 HydrophobicContact CD2-CD2 4.49Å; Y457-L1069 HydrophobicContact CE2-CD2 3.58Å; A1066-L1069 HydrophobicContact CB-CB 4.17Å; A1066-L1069 HydrophobicContact CB-CD1 4.05Å; A1066-L1069 HydrophobicContact CB-CG 4.29Å; A1066-L1069 CarbonylContact O-C 3.53Å; A1066-L1069 PolarHBondContact O-N 3.47Å; A1066-L1069 VanDerWaalsContact O-N 3.13Å; D1067-L1069 VanDerWaalsContact C-N 3.32Å; D1067-L1069 PolarHBondContact O-N 2.83Å; L1069-H1164 VanDerWaalsContact C-CE1 3.47Å; L1069-H1164 PolarHBondContact O-CE1 2.96Å; L1069-H1164 VanDerWaalsContact O-CE1 3.3Å; L1069-H1164 PolarHBondContact O-NE2 3.46Å |
| 1070 | S | 87.3 | Confident | 84.7 | Confident | 56 Ų | 56 | 58.9 Ų | 58.9 | 39% | 0.392 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | -124.9 | 4.8 | 171.1 | 69.8 | 0 | 0 | 0 | 0 | 113.5 | D1067 H1068 | D1067-S1070 PolarHBondContact O-N 3.02Å; D1067-S1070 PolarHBondContact O-OG 2.87Å; H1068-S1070 PolarHBondContact O-N 3.4Å; H1068-S1070 VanDerWaalsContact O-N 3.09Å |
| 1071 | D | 87.8 | Confident | 84.1 | Confident | 61 Ų | 61 | 66.9 Ų | 66.9 | 33% | 0.326 | 32% | 0.324 | S | S | . | . | trans | -59.2 | 133.5 | 176.8 | -177.2 | -19.3 | 0 | 0 | 0 | 111.6 | K455 H1068 D1073 Y1074 H1164 | K455-D1071 IonicContact NZ-OD1 3.88Å; K455-D1071 PolarHBondContact NZ-OD1 2.8Å; K455-D1071 IonicContact NZ-OD2 2.72Å; K455-D1071 PolarHBondContact NZ-OD2 3.15Å; H1068-D1071 WeakPolarHBondContact O-CB 3.09Å; H1068-D1071 PolarHBondContact O-N 3.31Å; D1071-D1073 VanDerWaalsContact C-N 3.35Å; D1071-D1073 WeakPolarHBondContact OD1-CB 3.3Å; D1071-D1073 PolarHBondContact OD1-N 2.92Å; D1071-Y1074 HydrophobicContact CB-CD2 3.88Å; D1071-Y1074 HydrophobicContact CB-CE2 3.83Å; D1071-Y1074 WeakPolarHBondContact O-CD2 3.34Å; D1071-H1164 PolarHBondContact O-CE1 2.76Å; D1071-H1164 PolarHBondContact O-ND1 2.85Å | ||
| 1072 | V | 86.7 | Confident | 83.9 | Confident | 104 Ų | 104 | 66.8 Ų | 66.8 | 63% | 0.63 | 33% | 0.326 | S | S | * | . | G | 310 helix | trans | -74.2 | -25.7 | -175.5 | -177.8 | 0 | 0 | 0 | 0 | 111.8 | Y1074 L1075 | V1072-Y1074 PolarHBondContact O-N 2.92Å; V1072-Y1074 VanDerWaalsContact O-N 3.16Å; V1072-L1075 HydrophobicContact CG1-CD1 4.21Å; V1072-L1075 WeakPolarHBondContact O-CB 3.31Å; V1072-L1075 PolarHBondContact O-N 3.39Å; V1072-L1075 VanDerWaalsContact O-N 3.08Å |
| 1073 | D | 87.6 | Confident | 84.1 | Confident | 65 Ų | 65 | 62.7 Ų | 62.7 | 35% | 0.348 | 31% | 0.308 | S | S | . | . | G | 310 helix | trans | -70.2 | -14.2 | -173.9 | -81.2 | -17 | 0 | 0 | 0 | 114 | D1071 L1075 R1076 | D1071-D1073 VanDerWaalsContact C-N 3.35Å; D1071-D1073 WeakPolarHBondContact OD1-CB 3.3Å; D1071-D1073 PolarHBondContact OD1-N 2.92Å; D1073-L1075 PolarHBondContact O-N 3.4Å; D1073-R1076 WeakPolarHBondContact O-CG 3.47Å; D1073-R1076 PolarHBondContact O-N 2.9Å; D1073-R1076 IonicContact OD1-CZ 2.96Å; D1073-R1076 IonicContact OD1-NE 3.66Å; D1073-R1076 PolarHBondContact OD1-NE 3.1Å; D1073-R1076 IonicContact OD1-NH2 3.08Å; D1073-R1076 PolarHBondContact OD1-NH2 3.15Å; D1073-R1076 IonicContact OD2-NH2 2.74Å |
| 1074 | Y | 88.3 | Confident | 84.3 | Confident | 3 Ų | 3 | 63.4 Ų | 63.4 | 1% | 0.012 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -64.8 | -22.1 | 170.8 | -68 | -70.9 | 0 | 0 | 0 | 113.2 | T445 H448 T449 K455 S456 Y457 D1071 V1072 R1076 F1077 H1164 L1165 | T445-Y1074 HydrophobicContact CG2-CD1 3.89Å; T445-Y1074 HydrophobicContact CG2-CD2 4.29Å; T445-Y1074 HydrophobicContact CG2-CE1 3.42Å; T445-Y1074 VanDerWaalsContact CG2-CE1 3.42Å; T445-Y1074 HydrophobicContact CG2-CE2 3.86Å; T445-Y1074 HydrophobicContact CG2-CG 4.29Å; H448-Y1074 PolarHBondContact NE2-O 3.34Å; T449-Y1074 HydrophobicContact CG2-CD1 3.47Å; T449-Y1074 VanDerWaalsContact CG2-CD1 3.47Å; T449-Y1074 HydrophobicContact CG2-CE1 3.47Å; T449-Y1074 VanDerWaalsContact CG2-CE1 3.47Å; K455-Y1074 HydrophobicContact CD-CD1 4.07Å; K455-Y1074 HydrophobicContact CD-CE1 3.77Å; K455-Y1074 HydrophobicContact CG-CE1 4.31Å; S456-Y1074 PolarHBondContact O-OH 3.48Å; Y457-Y1074 PolarHBondContact O-OH 3.35Å; D1071-Y1074 HydrophobicContact CB-CD2 3.88Å; D1071-Y1074 HydrophobicContact CB-CE2 3.83Å; D1071-Y1074 WeakPolarHBondContact O-CD2 3.34Å; V1072-Y1074 PolarHBondContact O-N 2.92Å; V1072-Y1074 VanDerWaalsContact O-N 3.16Å; Y1074-R1076 PolarHBondContact O-N 3.48Å; Y1074-R1076 VanDerWaalsContact O-N 3.16Å; Y1074-F1077 HydrophobicContact CD1-CE2 4.29Å; Y1074-F1077 WeakPolarHBondContact O-CD2 3.41Å; Y1074-H1164 AromaticContact CD2-CE1 3.48Å; Y1074-H1164 VanDerWaalsContact CD2-CE1 3.48Å; Y1074-H1164 WeakPolarHBondContact CD2-CE1 3.37Å; Y1074-H1164 AromaticContact CD2-NE2 3.86Å; Y1074-L1165 HydrophobicContact CG-CD2 4.35Å |
| 1075 | L | 85.2 | Confident | 84.5 | Confident | 56 Ų | 56 | 61.3 Ų | 61.3 | 29% | 0.293 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -64.7 | -14.4 | 175.6 | -74.8 | 174 | 0 | 0 | 0 | 114.4 | V1072 D1073 H1164 | V1072-L1075 HydrophobicContact CG1-CD1 4.21Å; V1072-L1075 WeakPolarHBondContact O-CB 3.31Å; V1072-L1075 PolarHBondContact O-N 3.39Å; V1072-L1075 VanDerWaalsContact O-N 3.08Å; D1073-L1075 PolarHBondContact O-N 3.4Å; L1075-H1164 WeakPolarHBondContact CG-O 3.41Å; L1075-H1164 PolarHBondContact N-O 2.75Å |
| 1076 | R | 81.1 | Confident | 84.8 | Confident | 156 Ų | 156 | 57.7 Ų | 57.7 | 59% | 0.589 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -74.2 | -31.8 | -175.5 | -58.3 | -176.5 | -168.2 | -153.1 | 8.6 | 112.6 | D1073 Y1074 K1079 | D1073-R1076 WeakPolarHBondContact O-CG 3.47Å; D1073-R1076 PolarHBondContact O-N 2.9Å; D1073-R1076 IonicContact OD1-CZ 2.96Å; D1073-R1076 IonicContact OD1-NE 3.66Å; D1073-R1076 PolarHBondContact OD1-NE 3.1Å; D1073-R1076 IonicContact OD1-NH2 3.08Å; D1073-R1076 PolarHBondContact OD1-NH2 3.15Å; D1073-R1076 IonicContact OD2-NH2 2.74Å; Y1074-R1076 PolarHBondContact O-N 3.48Å; Y1074-R1076 VanDerWaalsContact O-N 3.16Å; R1076-K1079 PolarHBondContact O-N 3.42Å |
| 1077 | F | 79.9 | Confident | 85.1 | Confident | 27 Ų | 27 | 58 Ų | 58 | 12% | 0.118 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -76.2 | -24.3 | -171.1 | -52 | -72.4 | 0 | 0 | 0 | 115 | H448 T449 L454 K455 Y1074 D1082 S1083 | H448-F1077 WeakPolarHBondContact NE2-CB 3.46Å; H448-F1077 AromaticContact NE2-CD2 3.32Å; H448-F1077 VanDerWaalsContact NE2-CD2 3.32Å; H448-F1077 WeakPolarHBondContact NE2-CD2 3.46Å; H448-F1077 AromaticContact NE2-CG 3.87Å; T449-F1077 HydrophobicContact CG2-CD2 3.97Å; T449-F1077 HydrophobicContact CG2-CE2 3.79Å; T449-F1077 HydrophobicContact CG2-CZ 4.44Å; L454-F1077 HydrophobicContact CB-CD1 4.23Å; L454-F1077 HydrophobicContact CB-CE1 3.84Å; L454-F1077 HydrophobicContact CB-CZ 4.4Å; L454-F1077 HydrophobicContact CD1-CD1 4.09Å; K455-F1077 HydrophobicContact CB-CE2 4.14Å; K455-F1077 HydrophobicContact CB-CZ 3.72Å; K455-F1077 HydrophobicContact CD-CE2 4.07Å; K455-F1077 HydrophobicContact CD-CZ 4.22Å; Y1074-F1077 HydrophobicContact CD1-CE2 4.29Å; Y1074-F1077 WeakPolarHBondContact O-CD2 3.41Å; F1077-D1082 HydrophobicContact CB-CB 4.09Å; F1077-D1082 HydrophobicContact CD1-CB 4.29Å; F1077-D1082 WeakPolarHBondContact O-CB 3.29Å; F1077-D1082 PolarHBondContact O-N 2.8Å; F1077-S1083 PolarHBondContact O-N 3.44Å |
| 1078 | D | 74.2 | Confident | 85.6 | Confident | 24 Ų | 24 | 54.4 Ų | 54.4 | 13% | 0.128 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -77 | -24.6 | 172.4 | 176.9 | 98.3 | 0 | 0 | 0 | 112.3 | H448 N1080 K1112 L1165 G1166 L1167 T1168 | H448-D1078 VanDerWaalsContact CE1-CB 3.42Å; H448-D1078 WeakPolarHBondContact CE1-CB 3Å; H448-D1078 PolarHBondContact CE1-N 2.93Å; H448-D1078 VanDerWaalsContact CE1-N 3.34Å; D1078-N1080 VanDerWaalsContact C-N 3.28Å; D1078-N1080 PolarHBondContact O-N 3.03Å; D1078-K1112 PolarHBondContact O-NZ 3.09Å; D1078-K1112 VanDerWaalsContact O-NZ 3.12Å; D1078-K1112 IonicContact OD2-NZ 3.75Å; D1078-K1112 PolarHBondContact OD2-NZ 2.75Å; D1078-L1165 VanDerWaalsContact CB-O 3.31Å; D1078-L1165 WeakPolarHBondContact CB-O 3.03Å; D1078-G1166 VanDerWaalsContact CG-C 3.44Å; D1078-L1167 WeakPolarHBondContact OD1-CA 2.63Å; D1078-T1168 PolarHBondContact OD1-N 3.2Å |
| 1079 | K | 68.3 | Low | 86.1 | Confident | 166 Ų | 166 | 53.5 Ų | 53.5 | 72% | 0.722 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -72.7 | -22.6 | 178.1 | -66.1 | -170.9 | 176 | -171.3 | 0 | 113.5 | R1076 | R1076-K1079 PolarHBondContact O-N 3.42Å |
| 1080 | N | 58 | Low | 86.4 | Confident | 103 Ų | 103 | 53.5 Ų | 53.5 | 55% | 0.551 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.7 | 1.7 | -178.8 | -65.1 | -5.8 | 0 | 0 | 0 | 113.2 | D1078 D1082 | D1078-N1080 VanDerWaalsContact C-N 3.28Å; D1078-N1080 PolarHBondContact O-N 3.03Å; N1080-D1082 HydrophobicContact CB-CB 4.19Å; N1080-D1082 VanDerWaalsContact CB-CG 3.45Å; N1080-D1082 WeakPolarHBondContact CB-OD2 3.47Å; N1080-D1082 PolarHBondContact ND2-OD2 3.14Å; N1080-D1082 PolarHBondContact O-N 3.47Å; N1080-D1082 VanDerWaalsContact O-N 3.11Å |
| 1081 | E | 73.3 | Confident | 87 | Confident | 172 Ų | 172 | 50.9 Ų | 50.9 | 80% | 0.804 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.3 | 5.8 | -166.8 | -51 | -174.7 | 167.5 | 0 | 0 | 115 | K354 S1083 | K354-E1081 PolarHBondContact NZ-O 3.26Å; E1081-S1083 VanDerWaalsContact C-N 3.28Å; E1081-S1083 PolarHBondContact O-N 2.99Å |
| 1082 | D | 84.2 | Confident | 87.5 | Confident | 67 Ų | 67 | 48.1 Ų | 48.1 | 36% | 0.358 | 24% | 0.238 | S | C | . | . | trans | -61.7 | -30 | 178.8 | -69.6 | -32.5 | 0 | 0 | 0 | 113.1 | L454 F1077 N1080 N1084 | L454-D1082 HydrophobicContact CD1-CB 4.06Å; F1077-D1082 HydrophobicContact CB-CB 4.09Å; F1077-D1082 HydrophobicContact CD1-CB 4.29Å; F1077-D1082 WeakPolarHBondContact O-CB 3.29Å; F1077-D1082 PolarHBondContact O-N 2.8Å; N1080-D1082 HydrophobicContact CB-CB 4.19Å; N1080-D1082 VanDerWaalsContact CB-CG 3.45Å; N1080-D1082 WeakPolarHBondContact CB-OD2 3.47Å; N1080-D1082 PolarHBondContact ND2-OD2 3.14Å; N1080-D1082 PolarHBondContact O-N 3.47Å; N1080-D1082 VanDerWaalsContact O-N 3.11Å; D1082-N1084 PolarHBondContact O-N 3.49Å | ||
| 1083 | S | 92.1 | Very high | 87.9 | Confident | 8 Ų | 8 | 43.2 Ų | 43.2 | 6% | 0.056 | 21% | 0.208 | C | C | . | . | trans | -55 | 126.2 | -175.3 | -179.2 | 0 | 0 | 0 | 0 | 112 | K354 H448 F1077 E1081 V1085 | K354-S1083 PolarHBondContact NZ-O 2.73Å; H448-S1083 VanDerWaalsContact CE1-CB 3.48Å; H448-S1083 WeakPolarHBondContact CE1-CB 3.37Å; H448-S1083 WeakPolarHBondContact ND1-CB 3.35Å; H448-S1083 PolarHBondContact ND1-OG 3.45Å; H448-S1083 WeakPolarHBondContact O-CA 3.16Å; F1077-S1083 PolarHBondContact O-N 3.44Å; E1081-S1083 VanDerWaalsContact C-N 3.28Å; E1081-S1083 PolarHBondContact O-N 2.99Å; S1083-V1085 PolarHBondContact O-N 3.28Å; S1083-V1085 PolarHBondContact OG-N 3.36Å | ||
| 1084 | N | 95.1 | Very high | 88.1 | Confident | 16 Ų | 16 | 40.5 Ų | 40.5 | 9% | 0.086 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -78.4 | -3.7 | 176.5 | -154.3 | 31.5 | 0 | 0 | 0 | 113.1 | K353 K354 V355 Y447 H448 N450 D1082 | K353-N1084 PolarHBondContact O-OD1 3.18Å; K353-N1084 VanDerWaalsContact O-OD1 3.13Å; K354-N1084 CarbonylContact C-O 3.49Å; K354-N1084 WeakPolarHBondContact CA-O 3.41Å; K354-N1084 WeakPolarHBondContact CD-OD1 3.46Å; V355-N1084 PolarHBondContact N-O 3.11Å; Y447-N1084 VanDerWaalsContact O-CB 3.24Å; Y447-N1084 WeakPolarHBondContact O-CB 3.29Å; H448-N1084 PolarHBondContact O-N 2.74Å; N450-N1084 HydrophobicContact CB-CB 4.2Å; D1082-N1084 PolarHBondContact O-N 3.49Å |
| 1085 | V | 96.6 | Very high | 88.1 | Confident | 6 Ų | 6 | 40.6 Ų | 40.6 | 4% | 0.036 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 114.3 | 176.9 | 175.6 | 0 | 0 | 0 | 0 | 109.3 | V355 L357 H448 S1083 L1167 | V355-V1085 HydrophobicContact CB-CG2 4.38Å; L357-V1085 HydrophobicContact CD1-CG1 3.86Å; L357-V1085 HydrophobicContact CD1-CG2 3.78Å; H448-V1085 HydrophobicContact CB-CG2 4.34Å; S1083-V1085 PolarHBondContact O-N 3.28Å; S1083-V1085 PolarHBondContact OG-N 3.36Å; V1085-L1167 HydrophobicContact CB-CD2 4.04Å; V1085-L1167 HydrophobicContact CG1-CD1 3.96Å; V1085-L1167 HydrophobicContact CG1-CD2 4.16Å |
| 1086 | A | 95.8 | Very high | 87.9 | Confident | 25 Ų | 25 | 38.3 Ų | 38.3 | 21% | 0.207 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | -39.5 | 179 | 0 | 0 | 0 | 0 | 0 | 112.7 | K354 V355 Y395 H1169 | K354-A1086 HydrophobicContact CB-CB 3.76Å; K354-A1086 HydrophobicContact CG-CB 4.39Å; V355-A1086 PolarHBondContact O-N 3.05Å; Y395-A1086 HydrophobicContact CE1-CB 4.07Å; A1086-H1169 WeakPolarHBondContact O-CB 3.28Å |
| 1087 | F | 98.1 | Very high | 88 | Confident | 5 Ų | 5 | 33.7 Ų | 33.7 | 2% | 0.022 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 143.7 | -175.6 | -68.4 | -94.9 | 0 | 0 | 0 | 112.1 | V356 L357 F1089 Y1119 H1169 Y1171 I1267 F1270 | V356-F1087 HydrophobicContact CG1-CB 4.18Å; V356-F1087 HydrophobicContact CG2-CB 4.31Å; V356-F1087 HydrophobicContact CG2-CD2 4.21Å; L357-F1087 PolarHBondContact N-O 3.02Å; F1087-F1089 HydrophobicContact CB-CD2 4.29Å; F1087-F1089 HydrophobicContact CB-CE2 3.52Å; F1087-F1089 HydrophobicContact CB-CZ 3.89Å; F1087-F1089 HydrophobicContact CD1-CE1 4.46Å; F1087-F1089 HydrophobicContact CD1-CE2 4.11Å; F1087-F1089 AromaticContact CD1-CZ 3.58Å; F1087-F1089 HydrophobicContact CD1-CZ 3.58Å; F1087-F1089 HydrophobicContact CE1-CZ 4.49Å; F1087-F1089 HydrophobicContact CG-CE2 4.07Å; F1087-F1089 HydrophobicContact CG-CZ 4.02Å; F1087-Y1119 HydrophobicContact CD1-CD2 4.48Å; F1087-Y1119 HydrophobicContact CD1-CE2 4.24Å; F1087-Y1119 AromaticContact CE1-CD2 3.5Å; F1087-Y1119 HydrophobicContact CE1-CD2 3.5Å; F1087-Y1119 VanDerWaalsContact CE1-CD2 3.5Å; F1087-Y1119 AromaticContact CE1-CE2 3.57Å; F1087-Y1119 HydrophobicContact CE1-CE2 3.57Å; F1087-Y1119 HydrophobicContact CE1-CG 4.01Å; F1087-Y1119 HydrophobicContact CZ-CD2 4.04Å; F1087-Y1119 HydrophobicContact CZ-CE2 4.16Å; F1087-H1169 WeakPolarHBondContact CA-O 2.97Å; F1087-H1169 HydrophobicContact CD1-CB 3.42Å; F1087-H1169 VanDerWaalsContact CD1-CB 3.42Å; F1087-H1169 AromaticContact CD1-CG 3.9Å; F1087-H1169 HydrophobicContact CE1-CB 3.63Å; F1087-H1169 AromaticContact CE1-CD2 3.95Å; F1087-H1169 AromaticContact CE1-CG 3.53Å; F1087-H1169 AromaticContact CE1-ND1 3.86Å; F1087-H1169 HydrophobicContact CG-CB 4.08Å; F1087-H1169 HydrophobicContact CZ-CB 4.45Å; F1087-Y1171 HydrophobicContact CD1-CE2 4.27Å; F1087-I1267 HydrophobicContact CD2-CD1 4.22Å; F1087-I1267 HydrophobicContact CD2-CG1 4.27Å; F1087-I1267 HydrophobicContact CD2-CG2 4.46Å; F1087-I1267 HydrophobicContact CE1-CG1 4.38Å; F1087-I1267 HydrophobicContact CE2-CG1 4.09Å; F1087-I1267 HydrophobicContact CE2-CG2 3.95Å; F1087-I1267 HydrophobicContact CG-CD1 4.37Å; F1087-I1267 HydrophobicContact CZ-CG1 4.16Å; F1087-F1270 HydrophobicContact CZ-CD1 4.38Å |
| 1088 | Y | 98.3 | Very high | 88.1 | Confident | 2 Ų | 2 | 36.4 Ų | 36.4 | 1% | 0.008 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 128.2 | 165.6 | 174.1 | -97.4 | 0 | 0 | 0 | 111.3 | L357 S359 Y426 I444 D1090 L1161 H1169 C1170 Y1171 | L357-Y1088 HydrophobicContact CB-CD2 3.98Å; L357-Y1088 CarbonylContact O-C 3.58Å; L357-Y1088 WeakPolarHBondContact O-CA 3.42Å; S359-Y1088 PolarHBondContact OG-OH 3.19Å; S359-Y1088 VanDerWaalsContact OG-OH 3.08Å; Y426-Y1088 PolarHBondContact OH-OH 2.87Å; I444-Y1088 HydrophobicContact CD1-CD2 3.58Å; I444-Y1088 HydrophobicContact CD1-CE2 3.49Å; I444-Y1088 VanDerWaalsContact CD1-CE2 3.49Å; I444-Y1088 HydrophobicContact CG1-CD2 4.5Å; Y1088-D1090 HydrophobicContact CE1-CB 3.83Å; Y1088-L1161 HydrophobicContact CD1-CD1 3.84Å; Y1088-L1161 HydrophobicContact CD2-CD1 4.09Å; Y1088-L1161 HydrophobicContact CE1-CD1 3.59Å; Y1088-L1161 HydrophobicContact CE2-CD1 3.85Å; Y1088-L1161 HydrophobicContact CG-CD1 4.07Å; Y1088-H1169 PolarHBondContact N-O 3.39Å; Y1088-C1170 VanDerWaalsContact CD1-SG 3.59Å; Y1088-Y1171 PolarHBondContact O-N 3.38Å |
| 1089 | F | 98.7 | Very high | 88.7 | Confident | 1 Ų | 1 | 35.3 Ų | 35.3 | 0% | 0.004 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 122.1 | 177.3 | -57.6 | -78.6 | 0 | 0 | 0 | 111.8 | V356 L357 V358 S359 F1087 L1091 Y1119 Y1171 V1173 L1263 M1264 I1267 | V356-F1089 HydrophobicContact CG1-CD2 4.28Å; V356-F1089 HydrophobicContact CG1-CE2 4.03Å; L357-F1089 PolarHBondContact O-N 2.68Å; V358-F1089 CarbonylContact C-O 3.56Å; V358-F1089 WeakPolarHBondContact CA-O 3.35Å; V358-F1089 HydrophobicContact CG1-CB 4.34Å; V358-F1089 HydrophobicContact CG2-CB 4.38Å; V358-F1089 HydrophobicContact CG2-CD2 4.06Å; S359-F1089 PolarHBondContact N-O 3.15Å; F1087-F1089 HydrophobicContact CB-CD2 4.29Å; F1087-F1089 HydrophobicContact CB-CE2 3.52Å; F1087-F1089 HydrophobicContact CB-CZ 3.89Å; F1087-F1089 HydrophobicContact CD1-CE1 4.46Å; F1087-F1089 HydrophobicContact CD1-CE2 4.11Å; F1087-F1089 AromaticContact CD1-CZ 3.58Å; F1087-F1089 HydrophobicContact CD1-CZ 3.58Å; F1087-F1089 HydrophobicContact CE1-CZ 4.49Å; F1087-F1089 HydrophobicContact CG-CE2 4.07Å; F1087-F1089 HydrophobicContact CG-CZ 4.02Å; F1089-L1091 HydrophobicContact CB-CD2 4.22Å; F1089-Y1119 AromaticContact CE1-CE1 3.64Å; F1089-Y1119 HydrophobicContact CE1-CE1 3.64Å; F1089-Y1119 AromaticContact CE1-CZ 3.78Å; F1089-Y1119 WeakPolarHBondContact CE1-OH 3.39Å; F1089-Y1119 AromaticContact CZ-CE1 3.96Å; F1089-Y1119 HydrophobicContact CZ-CE1 3.96Å; F1089-Y1119 HydrophobicContact CZ-CE2 4.48Å; F1089-Y1119 AromaticContact CZ-CZ 3.62Å; F1089-Y1119 WeakPolarHBondContact CZ-OH 3.19Å; F1089-Y1171 AromaticContact CD1-CD2 3.98Å; F1089-Y1171 HydrophobicContact CD1-CD2 3.98Å; F1089-Y1171 HydrophobicContact CD1-CG 4.44Å; F1089-Y1171 AromaticContact CE1-CD2 3.52Å; F1089-Y1171 HydrophobicContact CE1-CD2 3.52Å; F1089-Y1171 HydrophobicContact CE1-CE2 4.25Å; F1089-Y1171 HydrophobicContact CE1-CG 4.32Å; F1089-Y1171 HydrophobicContact CZ-CD2 4.31Å; F1089-V1173 HydrophobicContact CD1-CG2 4.2Å; F1089-L1263 HydrophobicContact CD1-CD2 4.31Å; F1089-L1263 HydrophobicContact CE1-CD2 4.07Å; F1089-M1264 HydrophobicContact CE2-CE 4.28Å; F1089-I1267 HydrophobicContact CE2-CD1 4.21Å; F1089-I1267 HydrophobicContact CZ-CD1 4.44Å |
| 1090 | D | 98.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 113.2 | 170.5 | -169.5 | 19.3 | 0 | 0 | 0 | 108.9 | S359 N423 Y1088 H1092 Y1171 T1172 V1173 | S359-D1090 PolarHBondContact OG-OD1 2.78Å; N423-D1090 PolarHBondContact ND2-OD2 3.03Å; Y1088-D1090 HydrophobicContact CE1-CB 3.83Å; D1090-H1092 IonicContact OD1-CD2 2.63Å; D1090-H1092 IonicContact OD2-CD2 3.26Å; D1090-Y1171 PolarHBondContact N-O 3.43Å; D1090-T1172 CarbonylContact O-C 3.57Å; D1090-T1172 WeakPolarHBondContact O-CA 3.45Å; D1090-V1173 PolarHBondContact O-N 3.04Å |
| 1091 | L | 98.8 | Very high | 91.6 | Very high | 1 Ų | 1 | 22.5 Ų | 22.5 | 1% | 0.005 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 126.2 | -170.5 | -54.3 | -176.4 | 0 | 0 | 0 | 112.4 | V358 S359 A360 S369 V372 F373 L376 F1089 V1173 L1263 | V358-L1091 HydrophobicContact CG1-CD1 3.69Å; V358-L1091 HydrophobicContact CG1-CG 3.97Å; S359-L1091 PolarHBondContact O-N 3.01Å; A360-L1091 HydrophobicContact CB-CB 4.01Å; A360-L1091 HydrophobicContact CB-CD1 4.31Å; S369-L1091 WeakPolarHBondContact CB-O 3.34Å; V372-L1091 HydrophobicContact CB-CD1 4.21Å; V372-L1091 HydrophobicContact CG1-CD1 3.9Å; V372-L1091 HydrophobicContact CG1-CD2 4.15Å; F373-L1091 HydrophobicContact CB-CD1 4.06Å; F373-L1091 HydrophobicContact CD2-CD1 4.38Å; L376-L1091 HydrophobicContact CD2-CD1 4.09Å; F1089-L1091 HydrophobicContact CB-CD2 4.22Å; L1091-V1173 HydrophobicContact CD2-CB 3.71Å; L1091-V1173 HydrophobicContact CD2-CG1 4.39Å; L1091-V1173 HydrophobicContact CD2-CG2 3.85Å; L1091-L1263 HydrophobicContact CD2-CD1 4.34Å |
| 1092 | H | 98.2 | Very high | 92.7 | Very high | 4 Ų | 4 | 14.3 Ų | 14.3 | 2% | 0.019 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 175.6 | -170.8 | -78.5 | -88.3 | 0 | 0 | 0 | 113.7 | V362 H363 E366 N423 D1090 T1172 V1173 E1174 C1175 | V362-H1092 WeakPolarHBondContact CG1-NE2 3.34Å; H363-H1092 AromaticContact CD2-NE2 3.03Å; H363-H1092 PolarHBondContact CD2-NE2 2.84Å; H363-H1092 AromaticContact CE1-CE1 3.06Å; H363-H1092 PolarHBondContact CE1-CE1 2.93Å; H363-H1092 AromaticContact CE1-ND1 3.31Å; H363-H1092 PolarHBondContact CE1-ND1 2.88Å; H363-H1092 VanDerWaalsContact CE1-ND1 3.31Å; H363-H1092 AromaticContact CE1-NE2 2.49Å; H363-H1092 PolarHBondContact CE1-NE2 2.91Å; H363-H1092 AromaticContact CG-CE1 3.45Å; H363-H1092 VanDerWaalsContact CG-CE1 3.45Å; H363-H1092 AromaticContact CG-ND1 4Å; H363-H1092 AromaticContact CG-NE2 3.22Å; H363-H1092 AromaticContact ND1-CE1 2.63Å; H363-H1092 PolarHBondContact ND1-CE1 3.39Å; H363-H1092 AromaticContact ND1-ND1 3.24Å; H363-H1092 PolarHBondContact ND1-ND1 3.07Å; H363-H1092 AromaticContact ND1-NE2 2.93Å; H363-H1092 PolarHBondContact ND1-NE2 3.26Å; H363-H1092 AromaticContact NE2-NE2 2.58Å; H363-H1092 PolarHBondContact NE2-NE2 3.45Å; E366-H1092 IonicContact OE1-CE1 2.8Å; E366-H1092 PolarHBondContact OE1-CE1 3.14Å; E366-H1092 VanDerWaalsContact OE1-CE1 3.24Å; E366-H1092 WeakPolarHBondContact OE2-CA 3.16Å; E366-H1092 WeakPolarHBondContact OE2-CB 3.39Å; E366-H1092 CovalentContact OE2-CE1 1.82Å; E366-H1092 IonicContact OE2-CE1 3.13Å; E366-H1092 PolarHBondContact OE2-CE1 2.72Å; E366-H1092 IonicContact OE2-CG 2.81Å; E366-H1092 IonicContact OE2-ND1 3.2Å; E366-H1092 PolarHBondContact OE2-ND1 3.49Å; N423-H1092 PolarHBondContact ND2-NE2 3.28Å; D1090-H1092 IonicContact OD1-CD2 2.63Å; D1090-H1092 IonicContact OD2-CD2 3.26Å; H1092-T1172 HydrophobicContact CB-CG2 4.37Å; H1092-T1172 VanDerWaalsContact CD2-CG2 3.46Å; H1092-T1172 WeakPolarHBondContact CD2-CG2 3.41Å; H1092-V1173 WeakPolarHBondContact CA-O 3.34Å; H1092-V1173 WeakPolarHBondContact CB-O 3.5Å; H1092-V1173 PolarHBondContact N-O 3.42Å; H1092-E1174 HydrophobicContact CB-CG 4.49Å; H1092-C1175 PolarHBondContact O-N 3.2Å |
| 1093 | G | 95 | Very high | 93.3 | Very high | 1 Ų | 1 | 11.5 Ų | 11.5 | 1% | 0.01 | 6% | 0.057 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 142.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | E366 C1175 | E366-G1093 WeakPolarHBondContact CG-O 3.45Å; E366-G1093 PolarHBondContact OE2-N 3.26Å; E366-G1093 VanDerWaalsContact OE2-N 3.07Å; G1093-C1175 CarbonylContact C-O 3.11Å; G1093-C1175 WeakPolarHBondContact CA-O 3.49Å |
| 1094 | H | 92.6 | Very high | 93.5 | Very high | 8 Ų | 8 | 11.1 Ų | 11.1 | 4% | 0.037 | 5% | 0.054 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 160.1 | -171.2 | 62.1 | 82.3 | 0 | 0 | 0 | 114.7 | K1097 G1099 F1101 E1174 C1175 N1176 Y1177 | H1094-K1097 PolarHBondContact CE1-O 3.44Å; H1094-K1097 PolarHBondContact ND1-O 3.17Å; H1094-G1099 PolarHBondContact NE2-O 3.32Å; H1094-F1101 AromaticContact CD2-CZ 3.76Å; H1094-F1101 AromaticContact CE1-CE1 3.38Å; H1094-F1101 WeakPolarHBondContact CE1-CE1 3.1Å; H1094-F1101 AromaticContact CE1-CZ 3.72Å; H1094-F1101 AromaticContact NE2-CE1 3.19Å; H1094-F1101 WeakPolarHBondContact NE2-CE1 3.26Å; H1094-F1101 AromaticContact NE2-CZ 3.39Å; H1094-F1101 WeakPolarHBondContact NE2-CZ 3.21Å; H1094-E1174 VanDerWaalsContact CD2-C 3.42Å; H1094-E1174 IonicContact CD2-OE2 3.39Å; H1094-E1174 PolarHBondContact CD2-OE2 3.47Å; H1094-E1174 IonicContact CG-OE2 2.8Å; H1094-E1174 PolarHBondContact NE2-O 3.36Å; H1094-C1175 VanDerWaalsContact CD2-C 3.49Å; H1094-C1175 PolarHBondContact CD2-N 3.49Å; H1094-C1175 VanDerWaalsContact CD2-N 3.28Å; H1094-C1175 PolarHBondContact N-O 3.32Å; H1094-C1175 VanDerWaalsContact NE2-C 3.3Å; H1094-C1175 PolarHBondContact NE2-N 2.91Å; H1094-N1176 PolarHBondContact CE1-N 2.67Å; H1094-N1176 PolarHBondContact NE2-N 2.93Å; H1094-N1176 WeakPolarHBondContact O-CA 3.1Å; H1094-Y1177 WeakPolarHBondContact O-CD2 3.42Å; H1094-Y1177 PolarHBondContact O-N 2.82Å |
| 1095 | C | 87.7 | Confident | 93.5 | Very high | 4 Ų | 4 | 10.4 Ų | 10.4 | 3% | 0.027 | 5% | 0.05 | C | C | . | . | S | Bend | trans | -98.8 | -6.5 | 176 | 58.2 | 0 | 0 | 0 | 0 | 114.5 | Q120 I123 | Q120-C1095 VanDerWaalsContact OE1-CB 3.24Å; Q120-C1095 PolarHBondContact OE1-SG 2.82Å; I123-C1095 HydrophobicContact CB-CB 4.08Å; I123-C1095 WeakPolarHBondContact CB-O 3.36Å; I123-C1095 HydrophobicContact CD1-CB 4.02Å; I123-C1095 HydrophobicContact CG1-CB 4.34Å; I123-C1095 HydrophobicContact CG2-CB 4.5Å |
| 1096 | S | 81.9 | Confident | 93.5 | Very high | 9 Ų | 9 | 14.7 Ų | 14.7 | 6% | 0.063 | 7% | 0.065 | C | C | . | . | S | Bend | trans | -98.7 | -59 | -156.9 | -67 | 0 | 0 | 0 | 0 | 116.7 | K122 N982 | K122-S1096 VanDerWaalsContact CD-O 3.29Å; K122-S1096 WeakPolarHBondContact CD-O 3.46Å; K122-S1096 WeakPolarHBondContact CE-O 3.48Å; K122-S1096 PolarHBondContact NZ-O 3.21Å; N982-S1096 WeakPolarHBondContact CB-OG 3.46Å; N982-S1096 WeakPolarHBondContact O-CB 3.32Å; N982-S1096 PolarHBondContact O-OG 2.82Å |
| 1097 | K | 83.2 | Confident | 93.4 | Very high | 58 Ų | 58 | 14 Ų | 14 | 25% | 0.252 | 6% | 0.059 | S | C | . | . | S | Bend | trans | -86.6 | 162.9 | 171.6 | -72.1 | -178.2 | 170.3 | -155.6 | 0 | 109 | H1094 F1101 S1134 N1176 | H1094-K1097 PolarHBondContact CE1-O 3.44Å; H1094-K1097 PolarHBondContact ND1-O 3.17Å; K1097-F1101 HydrophobicContact CB-CD1 4.49Å; K1097-F1101 HydrophobicContact CB-CE1 3.52Å; K1097-F1101 HydrophobicContact CB-CZ 3.94Å; K1097-F1101 HydrophobicContact CD-CD1 4.34Å; K1097-F1101 HydrophobicContact CD-CE1 3.69Å; K1097-F1101 HydrophobicContact CD-CE2 4.23Å; K1097-F1101 HydrophobicContact CD-CZ 3.65Å; K1097-F1101 HydrophobicContact CG-CE1 4.23Å; K1097-F1101 HydrophobicContact CG-CZ 4.28Å; K1097-S1134 PolarHBondContact NZ-O 2.9Å; K1097-N1176 PolarHBondContact O-ND2 3.45Å |
| 1098 | R | 82.3 | Confident | 93.1 | Very high | 85 Ų | 85 | 22 Ų | 22 | 32% | 0.321 | 10% | 0.096 | S | C | . | . | S | Bend | trans | -84 | 165.2 | 166 | -75.5 | -179 | 167.4 | 165 | -6.6 | 109.4 | Q126 G1180 I1248 | Q126-R1098 PolarHBondContact O-NH2 2.78Å; R1098-G1180 WeakPolarHBondContact CD-O 3.46Å; R1098-I1248 VanDerWaalsContact NH1-CD1 3.35Å |
| 1099 | G | 86 | Confident | 92.7 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 12% | 0.119 | C | C | . | . | S | Bend | trans | 78.3 | -178.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | H1094 N1176 S1179 P1181 Y1251 | H1094-G1099 PolarHBondContact NE2-O 3.32Å; G1099-N1176 WeakPolarHBondContact O-CB 3.45Å; G1099-N1176 PolarHBondContact O-N 2.84Å; G1099-S1179 PolarHBondContact N-O 3.3Å; G1099-P1181 VanDerWaalsContact CA-CD 3.45Å; G1099-Y1251 WeakPolarHBondContact CA-OH 3.42Å |
| 1100 | C | 92.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 145.2 | 164.1 | -57.6 | 0 | 0 | 0 | 0 | 108.7 | Y1129 F1130 D1131 E1174 C1175 V1259 | C1100-Y1129 PolarHBondContact N-O 3.18Å; C1100-F1130 CarbonylContact O-C 3.54Å; C1100-F1130 VanDerWaalsContact O-CA 3.32Å; C1100-F1130 WeakPolarHBondContact O-CA 3.07Å; C1100-D1131 PolarHBondContact O-N 3.09Å; C1100-E1174 CarbonylContact C-O 3.55Å; C1100-E1174 WeakPolarHBondContact CA-O 3.44Å; C1100-C1175 HydrophobicContact CB-CB 4.41Å; C1100-C1175 VanDerWaalsContact SG-CB 3.55Å; C1100-C1175 PolarHBondContact SG-SG 3.17Å; C1100-V1259 HydrophobicContact CB-CG1 4.13Å; C1100-V1259 HydrophobicContact CB-CG2 3.94Å |
| 1101 | F | 94.3 | Very high | 92.2 | Very high | 1 Ų | 1 | 34.1 Ų | 34.1 | 0% | 0.004 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | -179.1 | 177.9 | 50.3 | -92.4 | 0 | 0 | 0 | 109.5 | H1094 K1097 Y1103 D1131 S1134 E1174 | H1094-F1101 AromaticContact CD2-CZ 3.76Å; H1094-F1101 AromaticContact CE1-CE1 3.38Å; H1094-F1101 WeakPolarHBondContact CE1-CE1 3.1Å; H1094-F1101 AromaticContact CE1-CZ 3.72Å; H1094-F1101 AromaticContact NE2-CE1 3.19Å; H1094-F1101 WeakPolarHBondContact NE2-CE1 3.26Å; H1094-F1101 AromaticContact NE2-CZ 3.39Å; H1094-F1101 WeakPolarHBondContact NE2-CZ 3.21Å; K1097-F1101 HydrophobicContact CB-CD1 4.49Å; K1097-F1101 HydrophobicContact CB-CE1 3.52Å; K1097-F1101 HydrophobicContact CB-CZ 3.94Å; K1097-F1101 HydrophobicContact CD-CD1 4.34Å; K1097-F1101 HydrophobicContact CD-CE1 3.69Å; K1097-F1101 HydrophobicContact CD-CE2 4.23Å; K1097-F1101 HydrophobicContact CD-CZ 3.65Å; K1097-F1101 HydrophobicContact CG-CE1 4.23Å; K1097-F1101 HydrophobicContact CG-CZ 4.28Å; F1101-Y1103 HydrophobicContact CD2-CD1 4.35Å; F1101-Y1103 AromaticContact CD2-CE1 3.93Å; F1101-Y1103 HydrophobicContact CD2-CE1 3.93Å; F1101-Y1103 HydrophobicContact CE2-CD1 4.33Å; F1101-Y1103 AromaticContact CE2-CE1 3.54Å; F1101-Y1103 HydrophobicContact CE2-CE1 3.54Å; F1101-Y1103 AromaticContact CE2-CZ 3.65Å; F1101-D1131 WeakPolarHBondContact CB-O 3.32Å; F1101-S1134 VanDerWaalsContact CD1-CB 3.46Å; F1101-E1174 HydrophobicContact CD2-CB 3.83Å; F1101-E1174 HydrophobicContact CE1-CB 4.46Å; F1101-E1174 HydrophobicContact CE2-CB 3.36Å; F1101-E1174 HydrophobicContact CE2-CG 3.92Å; F1101-E1174 HydrophobicContact CZ-CB 3.71Å; F1101-E1174 HydrophobicContact CZ-CG 4.49Å; F1101-E1174 PolarHBondContact N-O 2.71Å; F1101-E1174 PolarHBondContact O-N 3.13Å |
| 1102 | L | 95.7 | Very high | 92 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 155.5 | 173.5 | 70.6 | 73.8 | 0 | 0 | 0 | 113.8 | Y1119 A1120 F1130 C1135 N1136 F1137 Y1171 T1172 V1173 | L1102-Y1119 HydrophobicContact CD2-CD1 4.26Å; L1102-Y1119 HydrophobicContact CD2-CE1 4.23Å; L1102-A1120 HydrophobicContact CD1-CB 3.93Å; L1102-A1120 HydrophobicContact CD2-CB 3.82Å; L1102-A1120 HydrophobicContact CG-CB 3.9Å; L1102-F1130 HydrophobicContact CB-CE2 4.44Å; L1102-F1130 HydrophobicContact CB-CZ 4.34Å; L1102-F1130 HydrophobicContact CD2-CE2 4.4Å; L1102-F1130 HydrophobicContact CD2-CZ 3.97Å; L1102-F1130 HydrophobicContact CG-CE2 4.43Å; L1102-F1130 HydrophobicContact CG-CZ 3.89Å; L1102-C1135 PolarHBondContact N-SG 3.13Å; L1102-C1135 VanDerWaalsContact N-SG 3.39Å; L1102-C1135 WeakPolarHBondContact O-CA 3.42Å; L1102-C1135 VanDerWaalsContact O-CB 3.3Å; L1102-C1135 WeakPolarHBondContact O-CB 3.41Å; L1102-N1136 PolarHBondContact O-N 3.12Å; L1102-N1136 VanDerWaalsContact O-N 3.17Å; L1102-F1137 HydrophobicContact CD1-CE1 3.76Å; L1102-F1137 HydrophobicContact CD1-CZ 3.73Å; L1102-Y1171 HydrophobicContact CD1-CD1 3.5Å; L1102-Y1171 HydrophobicContact CD1-CE1 3.77Å; L1102-Y1171 HydrophobicContact CD1-CG 4.42Å; L1102-Y1171 HydrophobicContact CD2-CD1 3.99Å; L1102-Y1171 HydrophobicContact CD2-CE1 4.27Å; L1102-Y1171 HydrophobicContact CD2-CG 4.22Å; L1102-Y1171 HydrophobicContact CG-CD1 4.28Å; L1102-T1172 CarbonylContact C-O 3.58Å; L1102-T1172 VanDerWaalsContact CA-O 3.26Å; L1102-T1172 WeakPolarHBondContact CA-O 3.31Å; L1102-V1173 HydrophobicContact CB-CG2 4.34Å |
| 1103 | Y | 97.1 | Very high | 91.8 | Very high | 8 Ų | 8 | 37 Ų | 37 | 3% | 0.031 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 118.5 | 163.9 | -56.2 | -37.3 | 0 | 0 | 0 | 108.3 | F1101 N1136 R1158 Y1171 T1172 E1174 | F1101-Y1103 HydrophobicContact CD2-CD1 4.35Å; F1101-Y1103 AromaticContact CD2-CE1 3.93Å; F1101-Y1103 HydrophobicContact CD2-CE1 3.93Å; F1101-Y1103 HydrophobicContact CE2-CD1 4.33Å; F1101-Y1103 AromaticContact CE2-CE1 3.54Å; F1101-Y1103 HydrophobicContact CE2-CE1 3.54Å; F1101-Y1103 AromaticContact CE2-CZ 3.65Å; Y1103-N1136 WeakPolarHBondContact CA-O 3.49Å; Y1103-N1136 HydrophobicContact CD1-CB 3.65Å; Y1103-N1136 HydrophobicContact CE1-CB 3.94Å; Y1103-R1158 WeakPolarHBondContact O-CD 3.08Å; Y1103-Y1171 WeakPolarHBondContact O-CA 3.44Å; Y1103-T1172 HydrophobicContact CD2-CG2 4.49Å; Y1103-T1172 PolarHBondContact N-O 3.14Å; Y1103-T1172 PolarHBondContact O-N 2.82Å; Y1103-E1174 HydrophobicContact CD2-CG 4.08Å; Y1103-E1174 HydrophobicContact CE2-CG 3.73Å; Y1103-E1174 WeakPolarHBondContact CE2-OE1 3.13Å |
| 1104 | G | 96.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 17% | 0.167 | C | C | . | . | trans | -94.3 | 177 | 164.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | N1136 R1158 | G1104-N1136 PolarHBondContact N-O 3.29Å; G1104-R1158 PolarHBondContact O-NH1 3.34Å | ||
| 1105 | N | 96.2 | Very high | 92 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 17% | 0.173 | C | C | . | . | trans | -84.9 | 163.1 | 171.7 | -68.6 | -47.8 | 0 | 0 | 0 | 111 | L1107 N1116 M1142 R1158 W1162 | N1105-L1107 HydrophobicContact CB-CD2 4.24Å; N1105-N1116 PolarHBondContact O-ND2 3.06Å; N1105-M1142 HydrophobicContact CB-CE 3.77Å; N1105-M1142 HydrophobicContact CB-SD 4.23Å; N1105-R1158 PolarHBondContact ND2-O 2.93Å; N1105-W1162 HydrophobicContact CB-CD2 4.23Å; N1105-W1162 HydrophobicContact CB-CG 4.21Å; N1105-W1162 WeakPolarHBondContact ND2-CB 3.16Å | ||
| 1106 | W | 96.1 | Very high | 92.4 | Very high | 96 Ų | 96 | 37.6 Ų | 37.6 | 36% | 0.364 | 17% | 0.171 | S | C | . | . | trans | -87 | 134.3 | 164.1 | -179.4 | 79.2 | 0 | 0 | 0 | 108.4 | E1108 F1137 L1139 M1142 | W1106-E1108 HydrophobicContact CE3-CG 4.38Å; W1106-E1108 HydrophobicContact CH2-CB 4.43Å; W1106-E1108 HydrophobicContact CH2-CG 3.64Å; W1106-E1108 HydrophobicContact CZ3-CB 4.47Å; W1106-E1108 HydrophobicContact CZ3-CG 3.41Å; W1106-E1108 VanDerWaalsContact CZ3-CG 3.41Å; W1106-F1137 WeakPolarHBondContact CA-O 3.34Å; W1106-F1137 VanDerWaalsContact CB-O 3.28Å; W1106-F1137 WeakPolarHBondContact CB-O 3.46Å; W1106-L1139 HydrophobicContact CB-CB 4.21Å; W1106-L1139 HydrophobicContact CB-CD1 4.4Å; W1106-L1139 HydrophobicContact CD2-CB 4.36Å; W1106-L1139 HydrophobicContact CD2-CD1 4.19Å; W1106-L1139 HydrophobicContact CE3-CD1 3.67Å; W1106-L1139 HydrophobicContact CG-CB 4.18Å; W1106-L1139 HydrophobicContact CZ3-CD1 4.28Å; W1106-M1142 HydrophobicContact CB-SD 3.62Å; W1106-M1142 PolarHBondContact N-SD 2.85Å | ||
| 1107 | L | 94 | Very high | 93 | Very high | 12 Ų | 12 | 37.2 Ų | 37.2 | 6% | 0.063 | 17% | 0.169 | C | C | . | . | trans | -123.7 | 137.9 | -174.8 | -54.1 | 177.6 | 0 | 0 | 0 | 109.2 | N1105 K1112 M1113 N1116 W1162 T1168 | N1105-L1107 HydrophobicContact CB-CD2 4.24Å; L1107-K1112 HydrophobicContact CD1-CB 3.89Å; L1107-K1112 WeakPolarHBondContact CD1-O 3.25Å; L1107-M1113 HydrophobicContact CB-CB 4.24Å; L1107-M1113 HydrophobicContact CB-SD 4.15Å; L1107-M1113 HydrophobicContact CG-SD 4.39Å; L1107-N1116 HydrophobicContact CD1-CB 3.79Å; L1107-N1116 WeakPolarHBondContact CD1-ND2 3.14Å; L1107-W1162 HydrophobicContact CD2-CZ2 4.07Å; L1107-T1168 HydrophobicContact CD1-CG2 3.89Å | ||
| 1108 | E | 90.1 | Very high | 93.5 | Very high | 173 Ų | 173 | 34.5 Ų | 34.5 | 81% | 0.808 | 16% | 0.157 | S | C | * | . | S | Bend | trans | -71.5 | -35.1 | -178.9 | -69.1 | 176.1 | -179.8 | 0 | 0 | 112.2 | W1106 | W1106-E1108 HydrophobicContact CE3-CG 4.38Å; W1106-E1108 HydrophobicContact CH2-CB 4.43Å; W1106-E1108 HydrophobicContact CH2-CG 3.64Å; W1106-E1108 HydrophobicContact CZ3-CB 4.47Å; W1106-E1108 HydrophobicContact CZ3-CG 3.41Å; W1106-E1108 VanDerWaalsContact CZ3-CG 3.41Å |
| 1109 | E | 91.2 | Very high | 94.2 | Very high | 103 Ų | 103 | 30.4 Ų | 30.4 | 48% | 0.481 | 14% | 0.141 | S | C | . | . | S | Bend | trans | -81.9 | 121.5 | 179.5 | -171.3 | -175.1 | 164.8 | 0 | 0 | 110.8 | N1111 K1112 M1113 | E1109-N1111 VanDerWaalsContact C-N 3.34Å; E1109-N1111 PolarHBondContact O-N 3.09Å; E1109-K1112 HydrophobicContact CB-CB 4.32Å; E1109-K1112 HydrophobicContact CB-CG 4.38Å; E1109-K1112 HydrophobicContact CG-CG 4.45Å; E1109-K1112 PolarHBondContact O-N 2.82Å; E1109-K1112 VanDerWaalsContact OE2-CD 3.3Å; E1109-K1112 WeakPolarHBondContact OE2-CD 3.2Å; E1109-K1112 WeakPolarHBondContact OE2-CE 3.16Å; E1109-M1113 WeakPolarHBondContact O-CB 3.3Å; E1109-M1113 PolarHBondContact O-N 2.76Å |
| 1110 | E | 93.4 | Very high | 94.6 | Very high | 68 Ų | 68 | 30.4 Ų | 30.4 | 32% | 0.318 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -59.1 | -41.2 | -174.8 | -179.7 | 170.1 | -143.7 | 0 | 0 | 113 | M1113 V1114 R1314 R1318 | E1110-M1113 CarbonylContact O-C 3.23Å; E1110-M1113 WeakPolarHBondContact O-CB 3.41Å; E1110-M1113 PolarHBondContact O-N 2.66Å; E1110-V1114 HydrophobicContact CG-CG2 4.3Å; E1110-V1114 VanDerWaalsContact O-CG2 3.3Å; E1110-V1114 WeakPolarHBondContact O-CG2 3.3Å; E1110-V1114 PolarHBondContact O-N 2.94Å; E1110-R1314 HydrophobicContact CG-CG 4.37Å; E1110-R1314 VanDerWaalsContact OE1-CG 3.25Å; E1110-R1314 WeakPolarHBondContact OE1-CG 3.32Å; E1110-R1318 VanDerWaalsContact CD-NH2 3.25Å; E1110-R1318 IonicContact OE1-CZ 3.76Å; E1110-R1318 VanDerWaalsContact OE1-CZ 3.22Å; E1110-R1318 IonicContact OE1-NE 2.71Å; E1110-R1318 PolarHBondContact OE1-NE 3.07Å; E1110-R1318 IonicContact OE1-NH2 3.68Å; E1110-R1318 PolarHBondContact OE1-NH2 2.79Å; E1110-R1318 IonicContact OE2-CZ 3.98Å; E1110-R1318 IonicContact OE2-NE 2.79Å; E1110-R1318 IonicContact OE2-NH2 3.59Å; E1110-R1318 PolarHBondContact OE2-NH2 3.25Å |
| 1111 | N | 93.4 | Very high | 94.5 | Very high | 86 Ų | 86 | 30.5 Ų | 30.5 | 46% | 0.46 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -66.6 | -43.8 | -178.9 | -69.2 | -33.5 | 0 | 0 | 0 | 111.9 | E1109 M1113 V1114 D1115 R1314 | E1109-N1111 VanDerWaalsContact C-N 3.34Å; E1109-N1111 PolarHBondContact O-N 3.09Å; N1111-M1113 VanDerWaalsContact C-N 3.28Å; N1111-M1113 PolarHBondContact O-N 2.77Å; N1111-V1114 WeakPolarHBondContact O-CB 3.47Å; N1111-V1114 PolarHBondContact O-N 3.13Å; N1111-D1115 PolarHBondContact O-N 3.39Å; N1111-R1314 PolarHBondContact OD1-NH2 2.78Å |
| 1112 | K | 93.3 | Very high | 94.3 | Very high | 49 Ų | 49 | 30.4 Ų | 30.4 | 21% | 0.213 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61.7 | -38 | 172.7 | -66.7 | -171.3 | 170 | -166.3 | 0 | 111.5 | D1078 L1107 E1109 D1115 N1116 T1168 | D1078-K1112 PolarHBondContact O-NZ 3.09Å; D1078-K1112 VanDerWaalsContact O-NZ 3.12Å; D1078-K1112 IonicContact OD2-NZ 3.75Å; D1078-K1112 PolarHBondContact OD2-NZ 2.75Å; L1107-K1112 HydrophobicContact CD1-CB 3.89Å; L1107-K1112 WeakPolarHBondContact CD1-O 3.25Å; E1109-K1112 HydrophobicContact CB-CB 4.32Å; E1109-K1112 HydrophobicContact CB-CG 4.38Å; E1109-K1112 HydrophobicContact CG-CG 4.45Å; E1109-K1112 PolarHBondContact O-N 2.82Å; E1109-K1112 VanDerWaalsContact OE2-CD 3.3Å; E1109-K1112 WeakPolarHBondContact OE2-CD 3.2Å; E1109-K1112 WeakPolarHBondContact OE2-CE 3.16Å; K1112-D1115 PolarHBondContact O-N 3.07Å; K1112-N1116 WeakPolarHBondContact O-CB 3.25Å; K1112-N1116 PolarHBondContact O-N 2.93Å; K1112-T1168 HydrophobicContact CB-CG2 4.08Å; K1112-T1168 WeakPolarHBondContact CD-OG1 3.36Å |
| 1113 | M | 95.3 | Very high | 94.1 | Very high | 15 Ų | 15 | 30.4 Ų | 30.4 | 7% | 0.074 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -65.4 | -41.5 | 175.1 | -168.7 | 66.7 | -177.2 | 0 | 0 | 112.5 | L1107 E1109 E1110 N1111 D1115 V1117 F1137 I1317 | L1107-M1113 HydrophobicContact CB-CB 4.24Å; L1107-M1113 HydrophobicContact CB-SD 4.15Å; L1107-M1113 HydrophobicContact CG-SD 4.39Å; E1109-M1113 WeakPolarHBondContact O-CB 3.3Å; E1109-M1113 PolarHBondContact O-N 2.76Å; E1110-M1113 CarbonylContact O-C 3.23Å; E1110-M1113 WeakPolarHBondContact O-CB 3.41Å; E1110-M1113 PolarHBondContact O-N 2.66Å; N1111-M1113 VanDerWaalsContact C-N 3.28Å; N1111-M1113 PolarHBondContact O-N 2.77Å; M1113-D1115 VanDerWaalsContact C-N 3.35Å; M1113-V1117 HydrophobicContact CE-CG2 4.33Å; M1113-V1117 WeakPolarHBondContact O-CG2 3.4Å; M1113-V1117 PolarHBondContact O-N 2.63Å; M1113-V1117 VanDerWaalsContact O-N 3.08Å; M1113-F1137 HydrophobicContact CE-CB 3.52Å; M1113-F1137 HydrophobicContact CE-CG 4.43Å; M1113-I1317 HydrophobicContact CB-CD1 4.24Å; M1113-I1317 HydrophobicContact CG-CD1 3.77Å; M1113-I1317 HydrophobicContact CG-CG1 4.16Å; M1113-I1317 HydrophobicContact CG-CG2 4.03Å; M1113-I1317 WeakPolarHBondContact O-CD1 3.23Å |
| 1114 | V | 96 | Very high | 93.5 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -56.8 | -48.9 | 173.5 | 165.6 | 0 | 0 | 0 | 0 | 110.5 | E1110 N1111 V1117 L1118 R1310 A1313 R1314 I1317 | E1110-V1114 HydrophobicContact CG-CG2 4.3Å; E1110-V1114 VanDerWaalsContact O-CG2 3.3Å; E1110-V1114 WeakPolarHBondContact O-CG2 3.3Å; E1110-V1114 PolarHBondContact O-N 2.94Å; N1111-V1114 WeakPolarHBondContact O-CB 3.47Å; N1111-V1114 PolarHBondContact O-N 3.13Å; V1114-V1117 PolarHBondContact O-N 3.36Å; V1114-L1118 WeakPolarHBondContact O-CB 3.49Å; V1114-L1118 PolarHBondContact O-N 3.36Å; V1114-R1310 HydrophobicContact CG1-CB 4.1Å; V1114-R1310 HydrophobicContact CG1-CG 4.21Å; V1114-A1313 HydrophobicContact CG1-CB 4.18Å; V1114-R1314 HydrophobicContact CG2-CB 3.66Å; V1114-R1314 HydrophobicContact CG2-CG 3.94Å; V1114-I1317 VanDerWaalsContact CA-CD1 3.47Å; V1114-I1317 HydrophobicContact CB-CD1 4.28Å; V1114-I1317 HydrophobicContact CG2-CD1 3.8Å |
| 1115 | D | 95.4 | Very high | 92.8 | Very high | 27 Ų | 27 | 30.5 Ų | 30.5 | 14% | 0.144 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -70.5 | -38.9 | -175.8 | -76.6 | 24.4 | 0 | 0 | 0 | 112.3 | N1111 K1112 M1113 V1117 L1118 Y1119 F1270 R1310 | N1111-D1115 PolarHBondContact O-N 3.39Å; K1112-D1115 PolarHBondContact O-N 3.07Å; M1113-D1115 VanDerWaalsContact C-N 3.35Å; D1115-V1117 VanDerWaalsContact C-N 3.32Å; D1115-V1117 PolarHBondContact O-N 2.58Å; D1115-L1118 PolarHBondContact O-N 2.49Å; D1115-Y1119 PolarHBondContact O-N 3.31Å; D1115-F1270 HydrophobicContact CB-CE2 3.95Å; D1115-F1270 HydrophobicContact CB-CZ 3.84Å; D1115-R1310 IonicContact OD1-CZ 2.8Å; D1115-R1310 VanDerWaalsContact OD1-CZ 3.26Å; D1115-R1310 IonicContact OD1-NH1 2.93Å; D1115-R1310 PolarHBondContact OD1-NH1 3.49Å; D1115-R1310 IonicContact OD1-NH2 3.64Å; D1115-R1310 IonicContact OD2-CZ 2.61Å; D1115-R1310 IonicContact OD2-NH1 3.7Å; D1115-R1310 PolarHBondContact OD2-NH1 2.98Å; D1115-R1310 IonicContact OD2-NH2 3.47Å; D1115-R1310 PolarHBondContact OD2-NH2 2.93Å |
| 1116 | N | 95.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -58.9 | -39.4 | 173 | 173.5 | 22.6 | 0 | 0 | 0 | 112.5 | N1105 L1107 K1112 F1137 T1168 Y1171 | N1105-N1116 PolarHBondContact O-ND2 3.06Å; L1107-N1116 HydrophobicContact CD1-CB 3.79Å; L1107-N1116 WeakPolarHBondContact CD1-ND2 3.14Å; K1112-N1116 WeakPolarHBondContact O-CB 3.25Å; K1112-N1116 PolarHBondContact O-N 2.93Å; N1116-F1137 WeakPolarHBondContact O-CE1 3.3Å; N1116-T1168 HydrophobicContact CB-CG2 4.26Å; N1116-Y1171 WeakPolarHBondContact CA-OH 3.4Å; N1116-Y1171 PolarHBondContact O-OH 3.03Å; N1116-Y1171 WeakPolarHBondContact OD1-CE1 3.26Å; N1116-Y1171 PolarHBondContact OD1-OH 2.82Å |
| 1117 | V | 95.2 | Very high | 91.8 | Very high | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.006 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -78.3 | -42.1 | 174.9 | 172.9 | 0 | 0 | 0 | 0 | 112.2 | M1113 V1114 D1115 Y1119 A1120 L1121 F1132 F1137 A1313 Y1316 I1317 | M1113-V1117 HydrophobicContact CE-CG2 4.33Å; M1113-V1117 WeakPolarHBondContact O-CG2 3.4Å; M1113-V1117 PolarHBondContact O-N 2.63Å; M1113-V1117 VanDerWaalsContact O-N 3.08Å; V1114-V1117 PolarHBondContact O-N 3.36Å; D1115-V1117 VanDerWaalsContact C-N 3.32Å; D1115-V1117 PolarHBondContact O-N 2.58Å; V1117-Y1119 VanDerWaalsContact C-N 3.3Å; V1117-Y1119 PolarHBondContact O-N 3.24Å; V1117-A1120 WeakPolarHBondContact O-CB 3.38Å; V1117-A1120 PolarHBondContact O-N 2.76Å; V1117-A1120 VanDerWaalsContact O-N 3.11Å; V1117-L1121 PolarHBondContact O-N 3.04Å; V1117-L1121 VanDerWaalsContact O-N 3.17Å; V1117-F1132 HydrophobicContact CG1-CE2 4.07Å; V1117-F1132 HydrophobicContact CG1-CZ 3.79Å; V1117-F1137 HydrophobicContact CB-CZ 4.5Å; V1117-F1137 HydrophobicContact CG2-CD1 4.03Å; V1117-F1137 HydrophobicContact CG2-CD2 3.89Å; V1117-F1137 HydrophobicContact CG2-CE1 4.16Å; V1117-F1137 HydrophobicContact CG2-CE2 4.03Å; V1117-F1137 HydrophobicContact CG2-CG 3.9Å; V1117-F1137 HydrophobicContact CG2-CZ 4.17Å; V1117-A1313 HydrophobicContact CG1-CB 4.35Å; V1117-Y1316 HydrophobicContact CG1-CD1 3.86Å; V1117-Y1316 HydrophobicContact CG1-CE1 4.13Å; V1117-I1317 HydrophobicContact CB-CD1 4.2Å; V1117-I1317 HydrophobicContact CB-CG1 4.47Å; V1117-I1317 HydrophobicContact CG2-CD1 3.95Å; V1117-I1317 HydrophobicContact CG2-CG1 3.93Å |
| 1118 | L | 94.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -56.1 | -44 | 179.6 | 172.4 | 63.1 | 0 | 0 | 0 | 111.7 | V1114 D1115 A1120 L1121 L1122 F1270 I1306 L1309 R1310 A1313 | V1114-L1118 WeakPolarHBondContact O-CB 3.49Å; V1114-L1118 PolarHBondContact O-N 3.36Å; D1115-L1118 PolarHBondContact O-N 2.49Å; L1118-A1120 VanDerWaalsContact C-N 3.29Å; L1118-A1120 PolarHBondContact O-N 1.82Å; L1118-L1121 WeakPolarHBondContact O-CA 3.41Å; L1118-L1121 WeakPolarHBondContact O-CB 3.36Å; L1118-L1121 PolarHBondContact O-N 3.24Å; L1118-L1122 HydrophobicContact CD1-CD1 4.38Å; L1118-L1122 HydrophobicContact CD1-CG 4.29Å; L1118-L1122 HydrophobicContact CG-CD1 4.19Å; L1118-L1122 WeakPolarHBondContact O-CG 3.41Å; L1118-L1122 PolarHBondContact O-N 3.36Å; L1118-F1270 HydrophobicContact CD2-CD2 4.14Å; L1118-F1270 HydrophobicContact CD2-CE2 4.03Å; L1118-F1270 HydrophobicContact CG-CD2 4.29Å; L1118-F1270 HydrophobicContact CG-CE2 4.41Å; L1118-I1306 HydrophobicContact CD1-CD1 4.4Å; L1118-I1306 HydrophobicContact CD2-CD1 3.92Å; L1118-I1306 HydrophobicContact CD2-CG1 4.34Å; L1118-I1306 HydrophobicContact CG-CD1 4.49Å; L1118-L1309 HydrophobicContact CD1-CB 3.63Å; L1118-L1309 HydrophobicContact CD1-CD1 4.48Å; L1118-R1310 HydrophobicContact CD2-CG 3.52Å; L1118-A1313 HydrophobicContact CB-CB 4.39Å |
| 1119 | Y | 96.7 | Very high | 91 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -55.6 | -45.1 | 177.1 | 175.9 | -93.9 | 0 | 0 | 0 | 111.8 | F1087 F1089 L1102 D1115 V1117 L1121 L1122 V1123 Y1171 L1263 A1266 I1267 | F1087-Y1119 HydrophobicContact CD1-CD2 4.48Å; F1087-Y1119 HydrophobicContact CD1-CE2 4.24Å; F1087-Y1119 AromaticContact CE1-CD2 3.5Å; F1087-Y1119 HydrophobicContact CE1-CD2 3.5Å; F1087-Y1119 VanDerWaalsContact CE1-CD2 3.5Å; F1087-Y1119 AromaticContact CE1-CE2 3.57Å; F1087-Y1119 HydrophobicContact CE1-CE2 3.57Å; F1087-Y1119 HydrophobicContact CE1-CG 4.01Å; F1087-Y1119 HydrophobicContact CZ-CD2 4.04Å; F1087-Y1119 HydrophobicContact CZ-CE2 4.16Å; F1089-Y1119 AromaticContact CE1-CE1 3.64Å; F1089-Y1119 HydrophobicContact CE1-CE1 3.64Å; F1089-Y1119 AromaticContact CE1-CZ 3.78Å; F1089-Y1119 WeakPolarHBondContact CE1-OH 3.39Å; F1089-Y1119 AromaticContact CZ-CE1 3.96Å; F1089-Y1119 HydrophobicContact CZ-CE1 3.96Å; F1089-Y1119 HydrophobicContact CZ-CE2 4.48Å; F1089-Y1119 AromaticContact CZ-CZ 3.62Å; F1089-Y1119 WeakPolarHBondContact CZ-OH 3.19Å; L1102-Y1119 HydrophobicContact CD2-CD1 4.26Å; L1102-Y1119 HydrophobicContact CD2-CE1 4.23Å; D1115-Y1119 PolarHBondContact O-N 3.31Å; V1117-Y1119 VanDerWaalsContact C-N 3.3Å; V1117-Y1119 PolarHBondContact O-N 3.24Å; Y1119-L1121 VanDerWaalsContact C-N 3.3Å; Y1119-L1121 PolarHBondContact O-N 3.03Å; Y1119-L1122 WeakPolarHBondContact O-CB 3.15Å; Y1119-L1122 PolarHBondContact O-N 3.05Å; Y1119-L1122 VanDerWaalsContact O-N 3.16Å; Y1119-V1123 HydrophobicContact CD1-CG2 4.3Å; Y1119-V1123 HydrophobicContact CE1-CG2 3.7Å; Y1119-V1123 WeakPolarHBondContact O-CG2 3.33Å; Y1119-V1123 PolarHBondContact O-N 3.34Å; Y1119-V1123 VanDerWaalsContact O-N 3.07Å; Y1119-Y1171 WeakPolarHBondContact CB-OH 3.17Å; Y1119-Y1171 HydrophobicContact CD1-CD2 4.19Å; Y1119-Y1171 HydrophobicContact CD1-CE1 4.47Å; Y1119-Y1171 AromaticContact CD1-CE2 3.42Å; Y1119-Y1171 HydrophobicContact CD1-CE2 3.42Å; Y1119-Y1171 VanDerWaalsContact CD1-CE2 3.42Å; Y1119-Y1171 AromaticContact CD1-CZ 3.6Å; Y1119-Y1171 HydrophobicContact CE1-CD2 4.18Å; Y1119-Y1171 AromaticContact CE1-CE2 3.83Å; Y1119-Y1171 HydrophobicContact CE1-CE2 3.83Å; Y1119-Y1171 HydrophobicContact CG-CE2 4.12Å; Y1119-L1263 HydrophobicContact CE1-CD2 4.36Å; Y1119-L1263 PolarHBondContact OH-O 2.79Å; Y1119-A1266 HydrophobicContact CD2-CB 4.43Å; Y1119-A1266 HydrophobicContact CE2-CB 3.85Å; Y1119-I1267 HydrophobicContact CE2-CG1 3.83Å |
| 1120 | A | 93.7 | Very high | 90.8 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -64.2 | -34.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L1102 V1117 L1118 L1122 V1123 G1124 F1130 F1132 F1137 | L1102-A1120 HydrophobicContact CD1-CB 3.93Å; L1102-A1120 HydrophobicContact CD2-CB 3.82Å; L1102-A1120 HydrophobicContact CG-CB 3.9Å; V1117-A1120 WeakPolarHBondContact O-CB 3.38Å; V1117-A1120 PolarHBondContact O-N 2.76Å; V1117-A1120 VanDerWaalsContact O-N 3.11Å; L1118-A1120 VanDerWaalsContact C-N 3.29Å; L1118-A1120 PolarHBondContact O-N 1.82Å; A1120-L1122 VanDerWaalsContact C-N 3.33Å; A1120-V1123 PolarHBondContact O-N 2.96Å; A1120-G1124 PolarHBondContact O-N 3.43Å; A1120-G1124 VanDerWaalsContact O-N 3.16Å; A1120-F1130 HydrophobicContact CB-CE1 4.41Å; A1120-F1130 HydrophobicContact CB-CZ 4.35Å; A1120-F1130 WeakPolarHBondContact O-CE1 3.42Å; A1120-F1132 HydrophobicContact CB-CD2 4.14Å; A1120-F1132 HydrophobicContact CB-CE2 4.13Å; A1120-F1137 HydrophobicContact CB-CZ 3.71Å |
| 1121 | L | 90.3 | Very high | 90.5 | Very high | 1 Ų | 1 | 12.9 Ų | 12.9 | 1% | 0.005 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -63.4 | -41.1 | 174.3 | -175.6 | 65.3 | 0 | 0 | 0 | 111.1 | V1117 L1118 Y1119 V1123 G1124 V1125 F1132 L1186 F1303 L1309 W1312 | V1117-L1121 PolarHBondContact O-N 3.04Å; V1117-L1121 VanDerWaalsContact O-N 3.17Å; L1118-L1121 WeakPolarHBondContact O-CA 3.41Å; L1118-L1121 WeakPolarHBondContact O-CB 3.36Å; L1118-L1121 PolarHBondContact O-N 3.24Å; Y1119-L1121 VanDerWaalsContact C-N 3.3Å; Y1119-L1121 PolarHBondContact O-N 3.03Å; L1121-V1123 VanDerWaalsContact C-N 3.35Å; L1121-V1123 PolarHBondContact O-N 2.91Å; L1121-G1124 CarbonylContact O-C 3.53Å; L1121-G1124 WeakPolarHBondContact O-CA 3.25Å; L1121-G1124 PolarHBondContact O-N 3.22Å; L1121-G1124 VanDerWaalsContact O-N 3.07Å; L1121-V1125 PolarHBondContact O-N 2.99Å; L1121-F1132 HydrophobicContact CB-CD2 4.01Å; L1121-F1132 HydrophobicContact CB-CE2 3.77Å; L1121-F1132 HydrophobicContact CB-CZ 4.45Å; L1121-F1132 HydrophobicContact CD1-CD1 4.37Å; L1121-F1132 HydrophobicContact CD1-CD2 4.13Å; L1121-F1132 HydrophobicContact CD1-CE2 4.26Å; L1121-F1132 HydrophobicContact CD1-CG 4.18Å; L1121-F1132 HydrophobicContact CD1-CZ 4.44Å; L1121-L1186 HydrophobicContact CD1-CD2 4.3Å; L1121-F1303 HydrophobicContact CD1-CE1 4.17Å; L1121-F1303 HydrophobicContact CD1-CZ 4.37Å; L1121-F1303 HydrophobicContact CD2-CE1 4.13Å; L1121-F1303 HydrophobicContact CD2-CZ 4.47Å; L1121-F1303 HydrophobicContact CG-CE1 4.29Å; L1121-L1309 HydrophobicContact CD2-CD2 3.86Å; L1121-W1312 HydrophobicContact CD1-CH2 4.25Å; L1121-W1312 HydrophobicContact CD1-CZ3 3.97Å; L1121-W1312 HydrophobicContact CD2-CD2 4.37Å; L1121-W1312 HydrophobicContact CD2-CE3 3.52Å; L1121-W1312 HydrophobicContact CD2-CZ3 3.69Å; L1121-W1312 HydrophobicContact CG-CZ3 4.39Å |
| 1122 | L | 91.7 | Very high | 90.2 | Very high | 0 Ų | 0 | 9.1 Ų | 9.1 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -66.9 | -31.1 | 176.2 | -65.1 | 172.4 | 0 | 0 | 0 | 112.9 | L1118 Y1119 A1120 G1124 V1125 N1126 A1266 D1269 F1270 L1282 I1306 L1309 | L1118-L1122 HydrophobicContact CD1-CD1 4.38Å; L1118-L1122 HydrophobicContact CD1-CG 4.29Å; L1118-L1122 HydrophobicContact CG-CD1 4.19Å; L1118-L1122 WeakPolarHBondContact O-CG 3.41Å; L1118-L1122 PolarHBondContact O-N 3.36Å; Y1119-L1122 WeakPolarHBondContact O-CB 3.15Å; Y1119-L1122 PolarHBondContact O-N 3.05Å; Y1119-L1122 VanDerWaalsContact O-N 3.16Å; A1120-L1122 VanDerWaalsContact C-N 3.33Å; L1122-G1124 VanDerWaalsContact C-N 3.32Å; L1122-V1125 WeakPolarHBondContact O-CB 3.2Å; L1122-V1125 PolarHBondContact O-N 2.95Å; L1122-N1126 PolarHBondContact O-N 2.93Å; L1122-N1126 VanDerWaalsContact O-N 3.15Å; L1122-N1126 PolarHBondContact O-ND2 3.16Å; L1122-A1266 HydrophobicContact CB-CB 3.95Å; L1122-D1269 HydrophobicContact CD1-CB 4.16Å; L1122-D1269 HydrophobicContact CD2-CB 4.13Å; L1122-F1270 HydrophobicContact CD1-CB 3.75Å; L1122-F1270 HydrophobicContact CD1-CD2 4.15Å; L1122-F1270 HydrophobicContact CD1-CG 4.47Å; L1122-L1282 HydrophobicContact CD2-CD1 3.85Å; L1122-L1282 HydrophobicContact CD2-CD2 4.19Å; L1122-I1306 HydrophobicContact CD1-CD1 4.14Å; L1122-L1309 HydrophobicContact CD2-CD1 3.96Å |
| 1123 | V | 91.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -65.2 | -38.9 | 169 | -172.9 | 0 | 0 | 0 | 0 | 110.7 | Y1119 A1120 L1121 N1126 S1127 F1130 A1262 L1263 A1266 | Y1119-V1123 HydrophobicContact CD1-CG2 4.3Å; Y1119-V1123 HydrophobicContact CE1-CG2 3.7Å; Y1119-V1123 WeakPolarHBondContact O-CG2 3.33Å; Y1119-V1123 PolarHBondContact O-N 3.34Å; Y1119-V1123 VanDerWaalsContact O-N 3.07Å; A1120-V1123 PolarHBondContact O-N 2.96Å; L1121-V1123 VanDerWaalsContact C-N 3.35Å; L1121-V1123 PolarHBondContact O-N 2.91Å; V1123-N1126 PolarHBondContact O-N 3.23Å; V1123-N1126 VanDerWaalsContact O-N 3.09Å; V1123-S1127 PolarHBondContact O-N 3.4Å; V1123-F1130 HydrophobicContact CB-CD1 4.13Å; V1123-F1130 HydrophobicContact CB-CD2 4.16Å; V1123-F1130 HydrophobicContact CB-CE1 4.04Å; V1123-F1130 HydrophobicContact CB-CE2 4.06Å; V1123-F1130 HydrophobicContact CB-CG 4.17Å; V1123-F1130 HydrophobicContact CB-CZ 3.98Å; V1123-F1130 HydrophobicContact CG1-CB 4.22Å; V1123-F1130 HydrophobicContact CG1-CD1 4.14Å; V1123-F1130 HydrophobicContact CG1-CD2 3.4Å; V1123-F1130 HydrophobicContact CG1-CE1 4.34Å; V1123-F1130 HydrophobicContact CG1-CE2 3.62Å; V1123-F1130 HydrophobicContact CG1-CG 3.65Å; V1123-F1130 HydrophobicContact CG1-CZ 4.07Å; V1123-A1262 HydrophobicContact CG1-CB 4.22Å; V1123-L1263 HydrophobicContact CG1-CD2 4.14Å; V1123-L1263 HydrophobicContact CG1-CG 4.45Å; V1123-L1263 HydrophobicContact CG2-CD2 3.91Å; V1123-A1266 HydrophobicContact CB-CB 4.44Å; V1123-A1266 HydrophobicContact CG2-CB 3.69Å |
| 1124 | G | 84.7 | Confident | 89.5 | Confident | 6 Ų | 6 | 10 Ų | 10 | 6% | 0.062 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -68.4 | -27.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | A1120 L1121 L1122 N1126 | A1120-G1124 PolarHBondContact O-N 3.43Å; A1120-G1124 VanDerWaalsContact O-N 3.16Å; L1121-G1124 CarbonylContact O-C 3.53Å; L1121-G1124 WeakPolarHBondContact O-CA 3.25Å; L1121-G1124 PolarHBondContact O-N 3.22Å; L1121-G1124 VanDerWaalsContact O-N 3.07Å; L1122-G1124 VanDerWaalsContact C-N 3.32Å; G1124-N1126 VanDerWaalsContact C-N 3.32Å |
| 1125 | V | 81.8 | Confident | 89.3 | Confident | 4 Ų | 4 | 10.5 Ų | 10.5 | 2% | 0.024 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -65.5 | -38.8 | 166.6 | 164.8 | 0 | 0 | 0 | 0 | 110.3 | L1121 L1122 I1190 K1278 | L1121-V1125 PolarHBondContact O-N 2.99Å; L1122-V1125 WeakPolarHBondContact O-CB 3.2Å; L1122-V1125 PolarHBondContact O-N 2.95Å; V1125-I1190 HydrophobicContact CB-CD1 4.12Å; V1125-I1190 HydrophobicContact CG1-CD1 4.08Å; V1125-I1190 HydrophobicContact CG1-CG2 4.44Å; V1125-I1190 HydrophobicContact CG2-CD1 3.79Å; V1125-I1190 WeakPolarHBondContact O-CG2 3.34Å; V1125-K1278 HydrophobicContact CG1-CB 4.3Å; V1125-K1278 WeakPolarHBondContact O-CD 3.27Å |
| 1126 | N | 85.7 | Confident | 89.2 | Confident | 8 Ų | 8 | 11.3 Ų | 11.3 | 4% | 0.043 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -87.3 | -30.8 | -172 | -78.2 | -68.4 | 0 | 0 | 0 | 115.5 | L1122 V1123 G1124 A1262 I1265 D1269 K1278 | L1122-N1126 PolarHBondContact O-N 2.93Å; L1122-N1126 VanDerWaalsContact O-N 3.15Å; L1122-N1126 PolarHBondContact O-ND2 3.16Å; V1123-N1126 PolarHBondContact O-N 3.23Å; V1123-N1126 VanDerWaalsContact O-N 3.09Å; G1124-N1126 VanDerWaalsContact C-N 3.32Å; N1126-A1262 HydrophobicContact CB-CB 3.62Å; N1126-I1265 WeakPolarHBondContact OD1-CG2 3.42Å; N1126-D1269 PolarHBondContact ND2-OD2 2.93Å; N1126-K1278 PolarHBondContact O-NZ 3.15Å |
| 1127 | S | 85 | Confident | 89.3 | Confident | 2 Ų | 2 | 12 Ų | 12 | 1% | 0.014 | 7% | 0.065 | C | C | . | . | trans | -128 | 130.1 | 174 | -173.4 | 0 | 0 | 0 | 0 | 113.2 | V1123 Y1129 F1130 D1258 | V1123-S1127 PolarHBondContact O-N 3.4Å; S1127-Y1129 PolarHBondContact O-N 3.26Å; S1127-Y1129 WeakPolarHBondContact OG-CD2 3.4Å; S1127-Y1129 PolarHBondContact OG-N 3.2Å; S1127-F1130 WeakPolarHBondContact O-CB 3.47Å; S1127-F1130 PolarHBondContact O-N 3.28Å; S1127-F1130 VanDerWaalsContact O-N 3.17Å; S1127-D1258 WeakPolarHBondContact CB-OD1 3.33Å; S1127-D1258 PolarHBondContact OG-OD1 3.07Å | ||
| 1128 | I | 81.4 | Confident | 89.2 | Confident | 27 Ų | 27 | 14 Ų | 14 | 14% | 0.138 | 8% | 0.08 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | -14.3 | 173.9 | 71.1 | 163.6 | 0 | 0 | 0 | 113.3 | F1130 P1183 A1191 Y1208 W1212 | I1128-F1130 VanDerWaalsContact C-N 3.3Å; I1128-P1183 HydrophobicContact CB-CB 4.42Å; I1128-A1191 HydrophobicContact CG2-CB 3.63Å; I1128-Y1208 HydrophobicContact CD1-CE1 4.39Å; I1128-Y1208 WeakPolarHBondContact CD1-OH 3.5Å; I1128-W1212 HydrophobicContact CD1-CH2 3.97Å |
| 1129 | Y | 86.1 | Confident | 89.1 | Confident | 13 Ų | 13 | 18 Ų | 18 | 5% | 0.051 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -8.5 | 178.2 | -52.4 | -49.3 | 0 | 0 | 0 | 112.5 | C1100 S1127 Y1208 Y1251 H1255 D1258 | C1100-Y1129 PolarHBondContact N-O 3.18Å; S1127-Y1129 PolarHBondContact O-N 3.26Å; S1127-Y1129 WeakPolarHBondContact OG-CD2 3.4Å; S1127-Y1129 PolarHBondContact OG-N 3.2Å; Y1129-Y1208 VanDerWaalsContact OH-CZ 3.26Å; Y1129-Y1208 PolarHBondContact OH-OH 2.96Å; Y1129-Y1208 VanDerWaalsContact OH-OH 3.13Å; Y1129-Y1251 WeakPolarHBondContact CA-OH 3.45Å; Y1129-Y1251 WeakPolarHBondContact CB-OH 3.39Å; Y1129-Y1251 HydrophobicContact CD1-CD1 4.46Å; Y1129-Y1251 AromaticContact CD1-CE1 3.6Å; Y1129-Y1251 HydrophobicContact CD1-CE1 3.6Å; Y1129-Y1251 HydrophobicContact CE1-CE1 4.3Å; Y1129-Y1251 HydrophobicContact CG-CE1 4.11Å; Y1129-Y1251 PolarHBondContact O-OH 3.31Å; Y1129-H1255 AromaticContact CD1-CD2 3.91Å; Y1129-H1255 HydrophobicContact CD2-CB 4.15Å; Y1129-H1255 AromaticContact CE1-CD2 3.33Å; Y1129-H1255 WeakPolarHBondContact CE1-CD2 3.05Å; Y1129-H1255 HydrophobicContact CE2-CB 4.09Å; Y1129-H1255 AromaticContact CE2-CD2 3.93Å; Y1129-H1255 HydrophobicContact CG-CB 4.47Å; Y1129-H1255 AromaticContact CZ-CD2 3.33Å; Y1129-H1255 AromaticContact CZ-CG 3.95Å; Y1129-D1258 HydrophobicContact CD2-CB 3.92Å; Y1129-D1258 HydrophobicContact CE2-CB 3.95Å |
| 1130 | F | 87.5 | Confident | 88.9 | Confident | 7 Ų | 7 | 25.9 Ų | 25.9 | 3% | 0.031 | 13% | 0.13 | C | C | . | . | B | Isolated β-bridge | trans | -91.9 | 117.2 | 178.2 | -168.6 | -87.7 | 0 | 0 | 0 | 111.5 | C1100 L1102 A1120 V1123 S1127 I1128 F1132 V1259 | C1100-F1130 CarbonylContact O-C 3.54Å; C1100-F1130 VanDerWaalsContact O-CA 3.32Å; C1100-F1130 WeakPolarHBondContact O-CA 3.07Å; L1102-F1130 HydrophobicContact CB-CE2 4.44Å; L1102-F1130 HydrophobicContact CB-CZ 4.34Å; L1102-F1130 HydrophobicContact CD2-CE2 4.4Å; L1102-F1130 HydrophobicContact CD2-CZ 3.97Å; L1102-F1130 HydrophobicContact CG-CE2 4.43Å; L1102-F1130 HydrophobicContact CG-CZ 3.89Å; A1120-F1130 HydrophobicContact CB-CE1 4.41Å; A1120-F1130 HydrophobicContact CB-CZ 4.35Å; A1120-F1130 WeakPolarHBondContact O-CE1 3.42Å; V1123-F1130 HydrophobicContact CB-CD1 4.13Å; V1123-F1130 HydrophobicContact CB-CD2 4.16Å; V1123-F1130 HydrophobicContact CB-CE1 4.04Å; V1123-F1130 HydrophobicContact CB-CE2 4.06Å; V1123-F1130 HydrophobicContact CB-CG 4.17Å; V1123-F1130 HydrophobicContact CB-CZ 3.98Å; V1123-F1130 HydrophobicContact CG1-CB 4.22Å; V1123-F1130 HydrophobicContact CG1-CD1 4.14Å; V1123-F1130 HydrophobicContact CG1-CD2 3.4Å; V1123-F1130 HydrophobicContact CG1-CE1 4.34Å; V1123-F1130 HydrophobicContact CG1-CE2 3.62Å; V1123-F1130 HydrophobicContact CG1-CG 3.65Å; V1123-F1130 HydrophobicContact CG1-CZ 4.07Å; S1127-F1130 WeakPolarHBondContact O-CB 3.47Å; S1127-F1130 PolarHBondContact O-N 3.28Å; S1127-F1130 VanDerWaalsContact O-N 3.17Å; I1128-F1130 VanDerWaalsContact C-N 3.3Å; F1130-F1132 PolarHBondContact O-N 3.49Å; F1130-V1259 HydrophobicContact CD2-CG1 4.41Å |
| 1131 | D | 86.8 | Confident | 88.8 | Confident | 25 Ų | 25 | 26 Ų | 26 | 13% | 0.134 | 13% | 0.131 | C | C | . | . | trans | -94.9 | 89.1 | -179.2 | -177.5 | 3.4 | 0 | 0 | 0 | 110.3 | C1100 F1101 D1133 S1134 P1181 | C1100-D1131 PolarHBondContact O-N 3.09Å; F1101-D1131 WeakPolarHBondContact CB-O 3.32Å; D1131-D1133 VanDerWaalsContact C-N 3.28Å; D1131-D1133 PolarHBondContact O-N 3.42Å; D1131-D1133 PolarHBondContact OD1-N 2.68Å; D1131-S1134 VanDerWaalsContact CG-CB 3.42Å; D1131-S1134 WeakPolarHBondContact O-CB 3.48Å; D1131-S1134 PolarHBondContact O-N 2.93Å; D1131-S1134 VanDerWaalsContact O-N 3.07Å; D1131-S1134 PolarHBondContact OD1-N 3.12Å; D1131-S1134 WeakPolarHBondContact OD2-CB 3.38Å; D1131-S1134 PolarHBondContact OD2-OG 3.27Å; D1131-P1181 HydrophobicContact CB-CG 3.97Å | ||
| 1132 | F | 87.1 | Confident | 89 | Confident | 6 Ų | 6 | 25.9 Ų | 25.9 | 3% | 0.026 | 13% | 0.13 | C | C | . | . | G | 310 helix | trans | -56.3 | -41.1 | 176.4 | 177.8 | -93 | 0 | 0 | 0 | 112.4 | V1117 A1120 L1121 F1130 S1134 C1135 W1312 Y1316 | V1117-F1132 HydrophobicContact CG1-CE2 4.07Å; V1117-F1132 HydrophobicContact CG1-CZ 3.79Å; A1120-F1132 HydrophobicContact CB-CD2 4.14Å; A1120-F1132 HydrophobicContact CB-CE2 4.13Å; L1121-F1132 HydrophobicContact CB-CD2 4.01Å; L1121-F1132 HydrophobicContact CB-CE2 3.77Å; L1121-F1132 HydrophobicContact CB-CZ 4.45Å; L1121-F1132 HydrophobicContact CD1-CD1 4.37Å; L1121-F1132 HydrophobicContact CD1-CD2 4.13Å; L1121-F1132 HydrophobicContact CD1-CE2 4.26Å; L1121-F1132 HydrophobicContact CD1-CG 4.18Å; L1121-F1132 HydrophobicContact CD1-CZ 4.44Å; F1130-F1132 PolarHBondContact O-N 3.49Å; F1132-S1134 PolarHBondContact O-N 3.04Å; F1132-S1134 VanDerWaalsContact O-N 3.14Å; F1132-C1135 VanDerWaalsContact O-CB 3.24Å; F1132-C1135 WeakPolarHBondContact O-CB 3.2Å; F1132-C1135 PolarHBondContact O-N 2.77Å; F1132-C1135 PolarHBondContact O-SG 3.43Å; F1132-W1312 HydrophobicContact CD1-CH2 4.38Å; F1132-W1312 AromaticContact CE1-CH2 3.65Å; F1132-W1312 HydrophobicContact CE1-CH2 3.65Å; F1132-W1312 AromaticContact CE1-CZ3 3.89Å; F1132-W1312 HydrophobicContact CE1-CZ3 3.89Å; F1132-W1312 HydrophobicContact CZ-CH2 4.13Å; F1132-W1312 AromaticContact CZ-CZ3 3.87Å; F1132-W1312 HydrophobicContact CZ-CZ3 3.87Å; F1132-Y1316 HydrophobicContact CE1-CD2 4.29Å; F1132-Y1316 HydrophobicContact CE1-CE1 4.23Å; F1132-Y1316 AromaticContact CE1-CE2 3.86Å; F1132-Y1316 HydrophobicContact CE1-CE2 3.86Å; F1132-Y1316 AromaticContact CE1-CZ 3.82Å; F1132-Y1316 HydrophobicContact CZ-CD1 4.37Å; F1132-Y1316 HydrophobicContact CZ-CE1 4.07Å; F1132-Y1316 HydrophobicContact CZ-CE2 4.47Å |
| 1133 | D | 84.9 | Confident | 89 | Confident | 68 Ų | 68 | 30 Ų | 30 | 36% | 0.364 | 15% | 0.146 | S | C | . | . | G | 310 helix | trans | -62.7 | -22.7 | 179.6 | -64.1 | -9.3 | 0 | 0 | 0 | 111.7 | D1131 N1327 | D1131-D1133 VanDerWaalsContact C-N 3.28Å; D1131-D1133 PolarHBondContact O-N 3.42Å; D1131-D1133 PolarHBondContact OD1-N 2.68Å; D1133-N1327 PolarHBondContact OD2-ND2 3.34Å |
| 1134 | S | 88.4 | Confident | 88.9 | Confident | 15 Ų | 15 | 32.3 Ų | 32.3 | 11% | 0.105 | 16% | 0.157 | C | C | . | . | G | 310 helix | trans | -84.8 | -8.3 | 173.6 | -82.8 | 0 | 0 | 0 | 0 | 115.2 | K1097 F1101 D1131 F1132 | K1097-S1134 PolarHBondContact NZ-O 2.9Å; F1101-S1134 VanDerWaalsContact CD1-CB 3.46Å; D1131-S1134 VanDerWaalsContact CG-CB 3.42Å; D1131-S1134 WeakPolarHBondContact O-CB 3.48Å; D1131-S1134 PolarHBondContact O-N 2.93Å; D1131-S1134 VanDerWaalsContact O-N 3.07Å; D1131-S1134 PolarHBondContact OD1-N 3.12Å; D1131-S1134 WeakPolarHBondContact OD2-CB 3.38Å; D1131-S1134 PolarHBondContact OD2-OG 3.27Å; F1132-S1134 PolarHBondContact O-N 3.04Å; F1132-S1134 VanDerWaalsContact O-N 3.14Å |
| 1135 | C | 92.3 | Very high | 89 | Confident | 11 Ų | 11 | 39.3 Ų | 39.3 | 7% | 0.074 | 19% | 0.186 | C | C | . | . | trans | -65 | 156.8 | 177.8 | -64.7 | 0 | 0 | 0 | 0 | 112 | L1102 F1132 F1137 | L1102-C1135 PolarHBondContact N-SG 3.13Å; L1102-C1135 VanDerWaalsContact N-SG 3.39Å; L1102-C1135 WeakPolarHBondContact O-CA 3.42Å; L1102-C1135 VanDerWaalsContact O-CB 3.3Å; L1102-C1135 WeakPolarHBondContact O-CB 3.41Å; F1132-C1135 VanDerWaalsContact O-CB 3.24Å; F1132-C1135 WeakPolarHBondContact O-CB 3.2Å; F1132-C1135 PolarHBondContact O-N 2.77Å; F1132-C1135 PolarHBondContact O-SG 3.43Å; C1135-F1137 HydrophobicContact CB-CE2 3.63Å; C1135-F1137 HydrophobicContact CB-CZ 4.06Å | ||
| 1136 | N | 93.3 | Very high | 89 | Confident | 44 Ų | 44 | 40.7 Ų | 40.7 | 24% | 0.235 | 19% | 0.193 | C | C | . | . | trans | -146.1 | 112.9 | -178.4 | -170 | -26.4 | 0 | 0 | 0 | 113.3 | L1102 Y1103 G1104 S1138 N1141 | L1102-N1136 PolarHBondContact O-N 3.12Å; L1102-N1136 VanDerWaalsContact O-N 3.17Å; Y1103-N1136 WeakPolarHBondContact CA-O 3.49Å; Y1103-N1136 HydrophobicContact CD1-CB 3.65Å; Y1103-N1136 HydrophobicContact CE1-CB 3.94Å; G1104-N1136 PolarHBondContact N-O 3.29Å; N1136-S1138 WeakPolarHBondContact OD1-CB 3.39Å; N1136-S1138 PolarHBondContact OD1-N 2.96Å; N1136-S1138 PolarHBondContact OD1-OG 3.18Å; N1136-N1141 PolarHBondContact O-ND2 2.91Å; N1136-N1141 WeakPolarHBondContact OD1-CB 2.97Å | ||
| 1137 | F | 95.9 | Very high | 88.3 | Confident | 14 Ų | 14 | 48.1 Ų | 48.1 | 6% | 0.061 | 22% | 0.221 | C | C | . | . | trans | -111.3 | 18.8 | -179.2 | -50 | -94.3 | 0 | 0 | 0 | 112.5 | L1102 W1106 M1113 N1116 V1117 A1120 C1135 Y1171 | L1102-F1137 HydrophobicContact CD1-CE1 3.76Å; L1102-F1137 HydrophobicContact CD1-CZ 3.73Å; W1106-F1137 WeakPolarHBondContact CA-O 3.34Å; W1106-F1137 VanDerWaalsContact CB-O 3.28Å; W1106-F1137 WeakPolarHBondContact CB-O 3.46Å; M1113-F1137 HydrophobicContact CE-CB 3.52Å; M1113-F1137 HydrophobicContact CE-CG 4.43Å; N1116-F1137 WeakPolarHBondContact O-CE1 3.3Å; V1117-F1137 HydrophobicContact CB-CZ 4.5Å; V1117-F1137 HydrophobicContact CG2-CD1 4.03Å; V1117-F1137 HydrophobicContact CG2-CD2 3.89Å; V1117-F1137 HydrophobicContact CG2-CE1 4.16Å; V1117-F1137 HydrophobicContact CG2-CE2 4.03Å; V1117-F1137 HydrophobicContact CG2-CG 3.9Å; V1117-F1137 HydrophobicContact CG2-CZ 4.17Å; A1120-F1137 HydrophobicContact CB-CZ 3.71Å; C1135-F1137 HydrophobicContact CB-CE2 3.63Å; C1135-F1137 HydrophobicContact CB-CZ 4.06Å; F1137-Y1171 HydrophobicContact CE1-CE1 4.36Å | ||
| 1138 | S | 93.7 | Very high | 87.4 | Confident | 44 Ų | 44 | 53.6 Ų | 53.6 | 31% | 0.308 | 24% | 0.244 | S | C | . | . | trans | -81.9 | 143.6 | -175.5 | 67.6 | 0 | 0 | 0 | 0 | 112.7 | N1136 R1140 N1141 M1142 | N1136-S1138 WeakPolarHBondContact OD1-CB 3.39Å; N1136-S1138 PolarHBondContact OD1-N 2.96Å; N1136-S1138 PolarHBondContact OD1-OG 3.18Å; S1138-R1140 PolarHBondContact O-N 3.4Å; S1138-R1140 VanDerWaalsContact O-N 3.17Å; S1138-N1141 WeakPolarHBondContact O-CB 3.41Å; S1138-N1141 PolarHBondContact O-N 2.86Å; S1138-N1141 PolarHBondContact OG-N 3.34Å; S1138-M1142 PolarHBondContact O-N 2.89Å | ||
| 1139 | L | 92.8 | Very high | 86.6 | Confident | 83 Ų | 83 | 53.8 Ų | 53.8 | 44% | 0.435 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -51.8 | -38.3 | 171.6 | -169.1 | 72.2 | 0 | 0 | 0 | 111.7 | W1106 N1141 M1142 Y1143 | W1106-L1139 HydrophobicContact CB-CB 4.21Å; W1106-L1139 HydrophobicContact CB-CD1 4.4Å; W1106-L1139 HydrophobicContact CD2-CB 4.36Å; W1106-L1139 HydrophobicContact CD2-CD1 4.19Å; W1106-L1139 HydrophobicContact CE3-CD1 3.67Å; W1106-L1139 HydrophobicContact CG-CB 4.18Å; W1106-L1139 HydrophobicContact CZ3-CD1 4.28Å; L1139-N1141 VanDerWaalsContact C-N 3.28Å; L1139-N1141 PolarHBondContact O-N 3.24Å; L1139-M1142 HydrophobicContact CD1-SD 4.22Å; L1139-M1142 WeakPolarHBondContact O-CB 3.4Å; L1139-M1142 PolarHBondContact O-N 2.79Å; L1139-Y1143 HydrophobicContact CD1-CD2 4.11Å; L1139-Y1143 HydrophobicContact CD1-CE2 3.63Å; L1139-Y1143 HydrophobicContact CG-CD2 4.17Å; L1139-Y1143 HydrophobicContact CG-CE2 4.19Å; L1139-Y1143 WeakPolarHBondContact O-CD2 3.46Å; L1139-Y1143 PolarHBondContact O-N 3.15Å |
| 1140 | R | 92.3 | Very high | 85.7 | Confident | 165 Ų | 165 | 59.7 Ų | 59.7 | 62% | 0.623 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -57.2 | -37.3 | 175.4 | -175.2 | 179.4 | 177.3 | -168.9 | -1 | 112.7 | S1138 M1142 Q1144 | S1138-R1140 PolarHBondContact O-N 3.4Å; S1138-R1140 VanDerWaalsContact O-N 3.17Å; R1140-M1142 VanDerWaalsContact C-N 3.32Å; R1140-Q1144 WeakPolarHBondContact O-CB 3.39Å; R1140-Q1144 PolarHBondContact O-N 3.19Å; R1140-Q1144 VanDerWaalsContact O-N 3.09Å |
| 1141 | N | 92.6 | Very high | 85.3 | Confident | 2 Ų | 2 | 61.3 Ų | 61.3 | 1% | 0.011 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -78.4 | -12.4 | 178.3 | -173.4 | 43 | 0 | 0 | 0 | 113.5 | N1136 S1138 L1139 K1153 R1158 | N1136-N1141 PolarHBondContact O-ND2 2.91Å; N1136-N1141 WeakPolarHBondContact OD1-CB 2.97Å; S1138-N1141 WeakPolarHBondContact O-CB 3.41Å; S1138-N1141 PolarHBondContact O-N 2.86Å; S1138-N1141 PolarHBondContact OG-N 3.34Å; L1139-N1141 VanDerWaalsContact C-N 3.28Å; L1139-N1141 PolarHBondContact O-N 3.24Å; N1141-K1153 WeakPolarHBondContact O-CD 3.39Å; N1141-K1153 PolarHBondContact OD1-NZ 3.47Å; N1141-R1158 PolarHBondContact O-NH2 3.04Å; N1141-R1158 VanDerWaalsContact O-NH2 3.09Å |
| 1142 | M | 93.1 | Very high | 85.4 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -83 | -37.9 | 173.3 | -60.6 | 167.2 | 76 | 0 | 0 | 111.3 | N1105 W1106 S1138 L1139 R1140 K1153 E1154 V1159 W1162 | N1105-M1142 HydrophobicContact CB-CE 3.77Å; N1105-M1142 HydrophobicContact CB-SD 4.23Å; W1106-M1142 HydrophobicContact CB-SD 3.62Å; W1106-M1142 PolarHBondContact N-SD 2.85Å; S1138-M1142 PolarHBondContact O-N 2.89Å; L1139-M1142 HydrophobicContact CD1-SD 4.22Å; L1139-M1142 WeakPolarHBondContact O-CB 3.4Å; L1139-M1142 PolarHBondContact O-N 2.79Å; R1140-M1142 VanDerWaalsContact C-N 3.32Å; M1142-K1153 CarbonylContact O-C 3.57Å; M1142-K1153 VanDerWaalsContact O-C 3.23Å; M1142-K1153 WeakPolarHBondContact O-CB 3.41Å; M1142-E1154 PolarHBondContact O-N 3.37Å; M1142-V1159 HydrophobicContact CB-CG1 4.11Å; M1142-V1159 HydrophobicContact CB-CG2 4.17Å; M1142-V1159 HydrophobicContact CE-CG1 4.1Å; M1142-V1159 HydrophobicContact CG-CG2 4.35Å; M1142-W1162 HydrophobicContact CE-CD2 4.17Å; M1142-W1162 HydrophobicContact CE-CE3 3.39Å; M1142-W1162 HydrophobicContact CE-CH2 3.8Å; M1142-W1162 HydrophobicContact CE-CZ2 4.49Å; M1142-W1162 HydrophobicContact CE-CZ3 3.19Å |
| 1143 | Y | 92.5 | Very high | 85.5 | Confident | 86 Ų | 86 | 61.5 Ų | 61.5 | 34% | 0.337 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -107.1 | 11.3 | -175 | -60 | -76.2 | 0 | 0 | 0 | 114.3 | L1139 K1145 E1154 K1163 | L1139-Y1143 HydrophobicContact CD1-CD2 4.11Å; L1139-Y1143 HydrophobicContact CD1-CE2 3.63Å; L1139-Y1143 HydrophobicContact CG-CD2 4.17Å; L1139-Y1143 HydrophobicContact CG-CE2 4.19Å; L1139-Y1143 WeakPolarHBondContact O-CD2 3.46Å; L1139-Y1143 PolarHBondContact O-N 3.15Å; Y1143-K1145 PolarHBondContact O-N 3.27Å; Y1143-E1154 HydrophobicContact CD1-CB 4.26Å; Y1143-E1154 HydrophobicContact CD1-CG 4.32Å; Y1143-E1154 HydrophobicContact CE1-CB 4.44Å; Y1143-E1154 HydrophobicContact CE1-CG 4.04Å; Y1143-K1163 WeakPolarHBondContact OH-CE 3.3Å; Y1143-K1163 PolarHBondContact OH-NZ 2.68Å |
| 1144 | Q | 89 | Confident | 85.9 | Confident | 49 Ų | 49 | 60.8 Ų | 60.8 | 23% | 0.229 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -57.9 | 128.6 | 175.6 | -169.8 | 178.7 | -12.6 | 0 | 0 | 109.9 | G981 R1140 T1152 K1153 | G981-Q1144 PolarHBondContact O-NE2 3.05Å; G981-Q1144 VanDerWaalsContact O-NE2 3.08Å; R1140-Q1144 WeakPolarHBondContact O-CB 3.39Å; R1140-Q1144 PolarHBondContact O-N 3.19Å; R1140-Q1144 VanDerWaalsContact O-N 3.09Å; Q1144-T1152 WeakPolarHBondContact O-CA 3.48Å; Q1144-K1153 HydrophobicContact CB-CD 4.09Å; Q1144-K1153 HydrophobicContact CB-CG 4.4Å; Q1144-K1153 PolarHBondContact O-N 3.06Å |
| 1145 | K | 87.7 | Confident | 86.1 | Confident | 152 Ų | 152 | 60.1 Ų | 60.1 | 66% | 0.661 | 30% | 0.295 | S | S | * | . | B | Isolated β-bridge | trans | -74.9 | 145.1 | 171.9 | -72.1 | 177.8 | 179.4 | 177.6 | 0 | 110.6 | Y1143 T1152 | Y1143-K1145 PolarHBondContact O-N 3.27Å; K1145-T1152 HydrophobicContact CG-CG2 3.63Å |
| 1146 | D | 80 | Confident | 86.3 | Confident | 34 Ų | 34 | 59.9 Ų | 59.9 | 18% | 0.182 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -67.3 | 145.7 | 169.4 | -63.6 | -43.5 | 0 | 0 | 0 | 110.1 | R424 K1148 G1149 S1151 | R424-D1146 WeakPolarHBondContact CD-OD2 3.22Å; R424-D1146 IonicContact CZ-OD1 3.76Å; R424-D1146 IonicContact CZ-OD2 3.14Å; R424-D1146 VanDerWaalsContact NE-CG 3.34Å; R424-D1146 IonicContact NE-OD1 3.53Å; R424-D1146 PolarHBondContact NE-OD1 3.13Å; R424-D1146 VanDerWaalsContact NE-OD1 3.07Å; R424-D1146 IonicContact NE-OD2 3.9Å; R424-D1146 PolarHBondContact NE-OD2 2.87Å; R424-D1146 IonicContact NH2-OD1 2.89Å; R424-D1146 PolarHBondContact NH2-OD1 3.41Å; R424-D1146 IonicContact NH2-OD2 3.66Å; D1146-K1148 PolarHBondContact O-N 2.71Å; D1146-K1148 VanDerWaalsContact O-N 3.1Å; D1146-G1149 PolarHBondContact O-N 2.89Å; D1146-S1151 PolarHBondContact N-O 2.69Å; D1146-S1151 WeakPolarHBondContact OD2-CB 3.4Å; D1146-S1151 PolarHBondContact OD2-OG 3.18Å |
| 1147 | R | 72.1 | Confident | 86.4 | Confident | 164 Ų | 164 | 57.8 Ų | 57.8 | 62% | 0.619 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -57.1 | -31.3 | -171.8 | -72 | 174.9 | 166.2 | -137.7 | -4.2 | 114.7 | N982 | N982-R1147 PolarHBondContact OD1-NH2 3.01Š|
| 1148 | K | 65.5 | Low | 86.4 | Confident | 116 Ų | 116 | 57.2 Ų | 57.2 | 50% | 0.504 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -121.1 | -2.3 | -177 | -72.2 | -177.2 | 167.2 | 174.6 | 0 | 113.9 | D986 D988 D1146 | D986-K1148 WeakPolarHBondContact O-CD 3.38Å; D986-K1148 WeakPolarHBondContact O-CE 3.36Å; D986-K1148 PolarHBondContact O-NZ 3.16Å; D988-K1148 IonicContact OD1-NZ 3.88Å; D988-K1148 PolarHBondContact OD1-NZ 3.23Å; D1146-K1148 PolarHBondContact O-N 2.71Å; D1146-K1148 VanDerWaalsContact O-N 3.1Å |
| 1149 | G | 64.2 | Low | 86.5 | Confident | 32 Ų | 32 | 55.1 Ų | 55.1 | 33% | 0.33 | 27% | 0.266 | S | S | . | . | trans | -104.5 | 158.4 | -172.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | D1146 | D1146-G1149 PolarHBondContact O-N 2.89Š| ||
| 1150 | T | 67.8 | Low | 86.6 | Confident | 137 Ų | 137 | 51.3 Ų | 51.3 | 84% | 0.84 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -79.6 | -7.6 | 158.3 | 53.2 | 0 | 0 | 0 | 0 | 112.3 | ||
| 1151 | S | 80.1 | Confident | 86.8 | Confident | 41 Ų | 41 | 43.4 Ų | 43.4 | 29% | 0.287 | 22% | 0.216 | S | C | . | . | trans | -72.7 | 150.2 | 177 | 46.2 | 0 | 0 | 0 | 0 | 112.8 | D1146 | D1146-S1151 PolarHBondContact N-O 2.69Å; D1146-S1151 WeakPolarHBondContact OD2-CB 3.4Å; D1146-S1151 PolarHBondContact OD2-OG 3.18Å | ||
| 1152 | T | 87.5 | Confident | 86.9 | Confident | 29 Ų | 29 | 45.7 Ų | 45.7 | 18% | 0.178 | 22% | 0.224 | C | C | . | . | B | Isolated β-bridge | trans | -118.3 | 159.6 | 173.6 | 46.9 | 0 | 0 | 0 | 0 | 109.6 | R424 Q1144 K1145 E1154 G1155 | R424-T1152 VanDerWaalsContact CD-O 3.32Å; R424-T1152 WeakPolarHBondContact CD-O 3.49Å; Q1144-T1152 WeakPolarHBondContact O-CA 3.48Å; K1145-T1152 HydrophobicContact CG-CG2 3.63Å; T1152-E1154 PolarHBondContact O-N 2.79Å; T1152-E1154 VanDerWaalsContact OG1-CB 3.31Å; T1152-E1154 WeakPolarHBondContact OG1-CB 3.25Å; T1152-G1155 PolarHBondContact O-N 3.08Å |
| 1153 | K | 90.5 | Very high | 86.8 | Confident | 6 Ų | 6 | 48.9 Ų | 48.9 | 3% | 0.026 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -60.8 | -8 | 168.8 | -65.6 | -172.8 | -171.1 | -169.7 | 0 | 114 | E983 N1141 M1142 Q1144 G1155 A1156 V1159 | E983-K1153 WeakPolarHBondContact OE1-CE 3.46Å; E983-K1153 IonicContact OE1-NZ 2.83Å; E983-K1153 PolarHBondContact OE1-NZ 3.03Å; N1141-K1153 WeakPolarHBondContact O-CD 3.39Å; N1141-K1153 PolarHBondContact OD1-NZ 3.47Å; M1142-K1153 CarbonylContact O-C 3.57Å; M1142-K1153 VanDerWaalsContact O-C 3.23Å; M1142-K1153 WeakPolarHBondContact O-CB 3.41Å; Q1144-K1153 HydrophobicContact CB-CD 4.09Å; Q1144-K1153 HydrophobicContact CB-CG 4.4Å; Q1144-K1153 PolarHBondContact O-N 3.06Å; K1153-G1155 PolarHBondContact O-N 3.5Å; K1153-A1156 WeakPolarHBondContact O-CB 3.31Å; K1153-A1156 PolarHBondContact O-N 3.01Å; K1153-V1159 WeakPolarHBondContact O-CG2 3.32Å |
| 1154 | E | 92.2 | Very high | 86.8 | Confident | 52 Ų | 52 | 45.4 Ų | 45.4 | 24% | 0.243 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -60 | -30.5 | 168.5 | -168.9 | 177.2 | -168.1 | 0 | 0 | 112.6 | L427 M1142 Y1143 T1152 A1156 V1159 K1163 | L427-E1154 HydrophobicContact CD1-CG 4.25Å; L427-E1154 HydrophobicContact CD2-CG 4.4Å; M1142-E1154 PolarHBondContact O-N 3.37Å; Y1143-E1154 HydrophobicContact CD1-CB 4.26Å; Y1143-E1154 HydrophobicContact CD1-CG 4.32Å; Y1143-E1154 HydrophobicContact CE1-CB 4.44Å; Y1143-E1154 HydrophobicContact CE1-CG 4.04Å; T1152-E1154 PolarHBondContact O-N 2.79Å; T1152-E1154 VanDerWaalsContact OG1-CB 3.31Å; T1152-E1154 WeakPolarHBondContact OG1-CB 3.25Å; E1154-A1156 PolarHBondContact O-N 3.1Å; E1154-V1159 HydrophobicContact CG-CG1 4.46Å; E1154-K1163 HydrophobicContact CG-CD 3.93Å; E1154-K1163 VanDerWaalsContact OE1-CE 3.29Å; E1154-K1163 WeakPolarHBondContact OE1-CE 3.3Å; E1154-K1163 IonicContact OE1-NZ 3.57Å; E1154-K1163 PolarHBondContact OE1-NZ 2.83Å |
| 1155 | G | 92.9 | Very high | 87 | Confident | 2 Ų | 2 | 43.1 Ų | 43.1 | 2% | 0.021 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -76.1 | -4.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | R424 V425 Y426 T1152 K1153 | R424-G1155 CarbonylContact C-O 3.6Å; R424-G1155 WeakPolarHBondContact CA-O 3.19Å; V425-G1155 PolarHBondContact N-O 2.92Å; Y426-G1155 PolarHBondContact N-O 3.28Å; Y426-G1155 VanDerWaalsContact N-O 3.12Å; T1152-G1155 PolarHBondContact O-N 3.08Å; K1153-G1155 PolarHBondContact O-N 3.5Å |
| 1156 | A | 96.1 | Very high | 87.2 | Confident | 5 Ų | 5 | 36.4 Ų | 36.4 | 4% | 0.041 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -82.2 | 149.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | N423 K1153 E1154 R1158 V1159 A1160 | N423-A1156 VanDerWaalsContact O-CA 3.26Å; N423-A1156 WeakPolarHBondContact O-CA 3.22Å; N423-A1156 WeakPolarHBondContact O-CB 3.32Å; N423-A1156 WeakPolarHBondContact OD1-CA 3.37Å; N423-A1156 VanDerWaalsContact OD1-CB 3.29Å; N423-A1156 WeakPolarHBondContact OD1-CB 3.39Å; K1153-A1156 WeakPolarHBondContact O-CB 3.31Å; K1153-A1156 PolarHBondContact O-N 3.01Å; E1154-A1156 PolarHBondContact O-N 3.1Å; A1156-R1158 VanDerWaalsContact C-N 3.35Å; A1156-R1158 PolarHBondContact O-N 3.47Å; A1156-V1159 PolarHBondContact O-N 3.05Å; A1156-A1160 WeakPolarHBondContact O-CB 3.3Å; A1156-A1160 PolarHBondContact O-N 3.26Å |
| 1157 | G | 94.9 | Very high | 87.9 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -49.4 | -52.8 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | N423 Y426 V1159 A1160 L1161 | N423-G1157 PolarHBondContact OD1-N 2.86Å; Y426-G1157 VanDerWaalsContact CD2-N 3.33Å; Y426-G1157 VanDerWaalsContact CG-CA 3.46Å; G1157-V1159 VanDerWaalsContact C-N 3.32Å; G1157-V1159 PolarHBondContact O-N 3.4Å; G1157-A1160 PolarHBondContact O-N 3.24Å; G1157-L1161 WeakPolarHBondContact O-CB 3.31Å; G1157-L1161 WeakPolarHBondContact O-CD1 3.32Å; G1157-L1161 WeakPolarHBondContact O-CG 3.44Å; G1157-L1161 PolarHBondContact O-N 3.47Å |
| 1158 | R | 96.5 | Very high | 88.8 | Confident | 3 Ų | 3 | 28 Ų | 28 | 1% | 0.011 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -46.1 | -48.7 | 175.6 | 174.6 | -172.1 | 59.6 | 122.5 | 2.8 | 114.4 | Y1103 G1104 N1105 N1141 A1156 W1162 C1170 T1172 | Y1103-R1158 WeakPolarHBondContact O-CD 3.08Å; G1104-R1158 PolarHBondContact O-NH1 3.34Å; N1105-R1158 PolarHBondContact ND2-O 2.93Å; N1141-R1158 PolarHBondContact O-NH2 3.04Å; N1141-R1158 VanDerWaalsContact O-NH2 3.09Å; A1156-R1158 VanDerWaalsContact C-N 3.35Å; A1156-R1158 PolarHBondContact O-N 3.47Å; R1158-W1162 WeakPolarHBondContact O-CB 3.45Å; R1158-C1170 WeakPolarHBondContact CG-O 3Å; R1158-C1170 PolarHBondContact O-SG 2.68Å; R1158-T1172 VanDerWaalsContact CB-OG1 3.31Å; R1158-T1172 WeakPolarHBondContact CB-OG1 3.49Å |
| 1159 | V | 96.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -86.2 | -42.1 | -172.4 | -173.4 | 0 | 0 | 0 | 0 | 110.5 | M1142 K1153 E1154 A1156 G1157 K1163 | M1142-V1159 HydrophobicContact CB-CG1 4.11Å; M1142-V1159 HydrophobicContact CB-CG2 4.17Å; M1142-V1159 HydrophobicContact CE-CG1 4.1Å; M1142-V1159 HydrophobicContact CG-CG2 4.35Å; K1153-V1159 WeakPolarHBondContact O-CG2 3.32Å; E1154-V1159 HydrophobicContact CG-CG1 4.46Å; A1156-V1159 PolarHBondContact O-N 3.05Å; G1157-V1159 VanDerWaalsContact C-N 3.32Å; G1157-V1159 PolarHBondContact O-N 3.4Å; V1159-K1163 HydrophobicContact CG1-CD 4.33Å; V1159-K1163 WeakPolarHBondContact O-CB 3.28Å; V1159-K1163 WeakPolarHBondContact O-CG 3.38Å; V1159-K1163 PolarHBondContact O-N 3.27Å |
| 1160 | A | 95.4 | Very high | 91.9 | Very high | 2 Ų | 2 | 22 Ų | 22 | 2% | 0.017 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -65.3 | -39.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L427 A1156 G1157 H1164 | L427-A1160 HydrophobicContact CD2-CB 4.01Å; L427-A1160 HydrophobicContact CG-CB 4.25Å; A1156-A1160 WeakPolarHBondContact O-CB 3.3Å; A1156-A1160 PolarHBondContact O-N 3.26Å; G1157-A1160 PolarHBondContact O-N 3.24Å; A1160-H1164 WeakPolarHBondContact O-CB 3.45Å; A1160-H1164 PolarHBondContact O-N 3.27Å |
| 1161 | L | 95.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -70.3 | -44.5 | 177.9 | -68.1 | 166.4 | 0 | 0 | 0 | 111.3 | K441 I444 Y1088 G1157 K1163 H1164 L1165 | K441-L1161 HydrophobicContact CG-CD2 4.19Å; I444-L1161 HydrophobicContact CB-CD2 4.43Å; I444-L1161 HydrophobicContact CD1-CD1 3.5Å; I444-L1161 VanDerWaalsContact CD1-CD1 3.5Å; I444-L1161 HydrophobicContact CD1-CD2 3.91Å; I444-L1161 HydrophobicContact CD1-CG 4.37Å; I444-L1161 HydrophobicContact CG2-CD2 4.37Å; Y1088-L1161 HydrophobicContact CD1-CD1 3.84Å; Y1088-L1161 HydrophobicContact CD2-CD1 4.09Å; Y1088-L1161 HydrophobicContact CE1-CD1 3.59Å; Y1088-L1161 HydrophobicContact CE2-CD1 3.85Å; Y1088-L1161 HydrophobicContact CG-CD1 4.07Å; G1157-L1161 WeakPolarHBondContact O-CB 3.31Å; G1157-L1161 WeakPolarHBondContact O-CD1 3.32Å; G1157-L1161 WeakPolarHBondContact O-CG 3.44Å; G1157-L1161 PolarHBondContact O-N 3.47Å; L1161-K1163 VanDerWaalsContact C-N 3.34Å; L1161-K1163 PolarHBondContact O-N 3.32Å; L1161-H1164 PolarHBondContact O-N 3.46Å; L1161-H1164 VanDerWaalsContact O-N 3.12Å; L1161-L1165 HydrophobicContact CD2-CD1 4.21Å; L1161-L1165 WeakPolarHBondContact O-CB 3.34Å; L1161-L1165 PolarHBondContact O-N 2.6Å |
| 1162 | W | 94.4 | Very high | 94.2 | Very high | 49 Ų | 49 | 13.9 Ų | 13.9 | 19% | 0.186 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -59.6 | -43.5 | 173.6 | 166.8 | 77.3 | 0 | 0 | 0 | 112.1 | N1105 L1107 M1142 R1158 H1164 G1166 C1170 | N1105-W1162 HydrophobicContact CB-CD2 4.23Å; N1105-W1162 HydrophobicContact CB-CG 4.21Å; N1105-W1162 WeakPolarHBondContact ND2-CB 3.16Å; L1107-W1162 HydrophobicContact CD2-CZ2 4.07Å; M1142-W1162 HydrophobicContact CE-CD2 4.17Å; M1142-W1162 HydrophobicContact CE-CE3 3.39Å; M1142-W1162 HydrophobicContact CE-CH2 3.8Å; M1142-W1162 HydrophobicContact CE-CZ2 4.49Å; M1142-W1162 HydrophobicContact CE-CZ3 3.19Å; R1158-W1162 WeakPolarHBondContact O-CB 3.45Å; W1162-H1164 PolarHBondContact O-N 3.2Å; W1162-H1164 VanDerWaalsContact O-N 3.16Å; W1162-G1166 VanDerWaalsContact CD1-O 3.26Å; W1162-G1166 VanDerWaalsContact O-CA 3.29Å; W1162-G1166 WeakPolarHBondContact O-CA 3.35Å; W1162-G1166 PolarHBondContact O-N 3.39Å; W1162-C1170 HydrophobicContact CB-CB 4.47Å |
| 1163 | K | 92.2 | Very high | 94.7 | Very high | 67 Ų | 67 | 12.5 Ų | 12.5 | 29% | 0.291 | 6% | 0.062 | S | C | . | . | H | α-helix | trans | -60.8 | -22.3 | 175.3 | -84.4 | -175.5 | 168.3 | -119.2 | 0 | 114.9 | Y1143 E1154 V1159 L1161 | Y1143-K1163 WeakPolarHBondContact OH-CE 3.3Å; Y1143-K1163 PolarHBondContact OH-NZ 2.68Å; E1154-K1163 HydrophobicContact CG-CD 3.93Å; E1154-K1163 VanDerWaalsContact OE1-CE 3.29Å; E1154-K1163 WeakPolarHBondContact OE1-CE 3.3Å; E1154-K1163 IonicContact OE1-NZ 3.57Å; E1154-K1163 PolarHBondContact OE1-NZ 2.83Å; V1159-K1163 HydrophobicContact CG1-CD 4.33Å; V1159-K1163 WeakPolarHBondContact O-CB 3.28Å; V1159-K1163 WeakPolarHBondContact O-CG 3.38Å; V1159-K1163 PolarHBondContact O-N 3.27Å; L1161-K1163 VanDerWaalsContact C-N 3.34Å; L1161-K1163 PolarHBondContact O-N 3.32Å |
| 1164 | H | 91.4 | Very high | 95 | Very high | 14 Ų | 14 | 12.3 Ų | 12.3 | 7% | 0.065 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -103.7 | -32.8 | -175.4 | 178.9 | 50.2 | 0 | 0 | 0 | 112.7 | L1069 D1071 Y1074 L1075 A1160 L1161 W1162 | L1069-H1164 VanDerWaalsContact C-CE1 3.47Å; L1069-H1164 PolarHBondContact O-CE1 2.96Å; L1069-H1164 VanDerWaalsContact O-CE1 3.3Å; L1069-H1164 PolarHBondContact O-NE2 3.46Å; D1071-H1164 PolarHBondContact O-CE1 2.76Å; D1071-H1164 PolarHBondContact O-ND1 2.85Å; Y1074-H1164 AromaticContact CD2-CE1 3.48Å; Y1074-H1164 VanDerWaalsContact CD2-CE1 3.48Å; Y1074-H1164 WeakPolarHBondContact CD2-CE1 3.37Å; Y1074-H1164 AromaticContact CD2-NE2 3.86Å; L1075-H1164 WeakPolarHBondContact CG-O 3.41Å; L1075-H1164 PolarHBondContact N-O 2.75Å; A1160-H1164 WeakPolarHBondContact O-CB 3.45Å; A1160-H1164 PolarHBondContact O-N 3.27Å; L1161-H1164 PolarHBondContact O-N 3.46Å; L1161-H1164 VanDerWaalsContact O-N 3.12Å; W1162-H1164 PolarHBondContact O-N 3.2Å; W1162-H1164 VanDerWaalsContact O-N 3.16Å |
| 1165 | L | 93.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 9.9 Ų | 9.9 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -121 | -11.2 | -169.2 | -54.7 | -179.3 | 0 | 0 | 0 | 113.4 | I444 H448 Y1074 D1078 L1161 L1167 | I444-L1165 HydrophobicContact CB-CD1 4.43Å; I444-L1165 HydrophobicContact CG2-CD1 3.51Å; H448-L1165 HydrophobicContact CB-CD1 4.38Å; H448-L1165 HydrophobicContact CB-CD2 4.45Å; H448-L1165 VanDerWaalsContact CE1-C 3.45Å; H448-L1165 PolarHBondContact CE1-O 2.95Å; Y1074-L1165 HydrophobicContact CG-CD2 4.35Å; D1078-L1165 VanDerWaalsContact CB-O 3.31Å; D1078-L1165 WeakPolarHBondContact CB-O 3.03Å; L1161-L1165 HydrophobicContact CD2-CD1 4.21Å; L1161-L1165 WeakPolarHBondContact O-CB 3.34Å; L1161-L1165 PolarHBondContact O-N 2.6Å; L1165-L1167 HydrophobicContact CB-CD1 4.24Å; L1165-L1167 HydrophobicContact CB-CG 3.88Å; L1165-L1167 HydrophobicContact CD1-CD1 4.06Å; L1165-L1167 PolarHBondContact O-N 2.97Å |
| 1166 | G | 92.6 | Very high | 95.2 | Very high | 12 Ų | 12 | 9.8 Ų | 9.8 | 12% | 0.124 | 5% | 0.049 | C | C | . | . | trans | 81.8 | -17.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | D1078 W1162 T1168 | D1078-G1166 VanDerWaalsContact CG-C 3.44Å; W1162-G1166 VanDerWaalsContact CD1-O 3.26Å; W1162-G1166 VanDerWaalsContact O-CA 3.29Å; W1162-G1166 WeakPolarHBondContact O-CA 3.35Å; W1162-G1166 PolarHBondContact O-N 3.39Å; G1166-T1168 PolarHBondContact O-N 3.03Å; G1166-T1168 VanDerWaalsContact O-N 3.15Å | ||
| 1167 | L | 93.4 | Very high | 95.1 | Very high | 5 Ų | 5 | 9.6 Ų | 9.6 | 3% | 0.026 | 5% | 0.047 | C | C | . | . | trans | -35.7 | 109.6 | -171.8 | -61.1 | 177.7 | 0 | 0 | 0 | 114.7 | I444 D1078 V1085 L1165 C1170 | I444-L1167 HydrophobicContact CG2-CD1 4.22Å; D1078-L1167 WeakPolarHBondContact OD1-CA 2.63Å; V1085-L1167 HydrophobicContact CB-CD2 4.04Å; V1085-L1167 HydrophobicContact CG1-CD1 3.96Å; V1085-L1167 HydrophobicContact CG1-CD2 4.16Å; L1165-L1167 HydrophobicContact CB-CD1 4.24Å; L1165-L1167 HydrophobicContact CB-CG 3.88Å; L1165-L1167 HydrophobicContact CD1-CD1 4.06Å; L1165-L1167 PolarHBondContact O-N 2.97Å; L1167-C1170 HydrophobicContact CB-CB 4.29Å; L1167-C1170 WeakPolarHBondContact O-CB 3.45Å | ||
| 1168 | T | 93 | Very high | 94.8 | Very high | 16 Ų | 16 | 9.7 Ų | 9.7 | 10% | 0.098 | 5% | 0.047 | C | C | . | . | S | Bend | trans | -58.8 | -50 | 178.7 | -63.9 | 0 | 0 | 0 | 0 | 112.1 | D1078 L1107 K1112 N1116 G1166 C1170 | D1078-T1168 PolarHBondContact OD1-N 3.2Å; L1107-T1168 HydrophobicContact CD1-CG2 3.89Å; K1112-T1168 HydrophobicContact CB-CG2 4.08Å; K1112-T1168 WeakPolarHBondContact CD-OG1 3.36Å; N1116-T1168 HydrophobicContact CB-CG2 4.26Å; G1166-T1168 PolarHBondContact O-N 3.03Å; G1166-T1168 VanDerWaalsContact O-N 3.15Å; T1168-C1170 PolarHBondContact O-N 3.42Å |
| 1169 | H | 96.5 | Very high | 94.2 | Very high | 21 Ų | 21 | 9.6 Ų | 9.6 | 10% | 0.097 | 5% | 0.047 | C | C | . | . | S | Bend | trans | -93 | 68.4 | -177 | -62.1 | -64.7 | 0 | 0 | 0 | 112.1 | A1086 F1087 Y1088 Y1171 F1270 | A1086-H1169 WeakPolarHBondContact O-CB 3.28Å; F1087-H1169 WeakPolarHBondContact CA-O 2.97Å; F1087-H1169 HydrophobicContact CD1-CB 3.42Å; F1087-H1169 VanDerWaalsContact CD1-CB 3.42Å; F1087-H1169 AromaticContact CD1-CG 3.9Å; F1087-H1169 HydrophobicContact CE1-CB 3.63Å; F1087-H1169 AromaticContact CE1-CD2 3.95Å; F1087-H1169 AromaticContact CE1-CG 3.53Å; F1087-H1169 AromaticContact CE1-ND1 3.86Å; F1087-H1169 HydrophobicContact CG-CB 4.08Å; F1087-H1169 HydrophobicContact CZ-CB 4.45Å; Y1088-H1169 PolarHBondContact N-O 3.39Å; H1169-Y1171 HydrophobicContact CB-CD2 4.47Å; H1169-Y1171 HydrophobicContact CB-CE2 3.68Å; H1169-Y1171 AromaticContact ND1-CE2 3.98Å; H1169-Y1171 AromaticContact ND1-CZ 3.87Å; H1169-Y1171 PolarHBondContact ND1-OH 2.99Å; H1169-F1270 AromaticContact CE1-CE2 3.82Å; H1169-F1270 AromaticContact CE1-CZ 3.53Å; H1169-F1270 AromaticContact NE2-CE1 3.68Å; H1169-F1270 AromaticContact NE2-CZ 3.4Å; H1169-F1270 WeakPolarHBondContact NE2-CZ 3.12Å |
| 1170 | C | 96.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 9.7 Ų | 9.7 | 0% | 0 | 5% | 0.049 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 113.6 | 180 | -165.4 | 0 | 0 | 0 | 0 | 109.4 | Y1088 R1158 W1162 L1167 T1168 | Y1088-C1170 VanDerWaalsContact CD1-SG 3.59Å; R1158-C1170 WeakPolarHBondContact CG-O 3Å; R1158-C1170 PolarHBondContact O-SG 2.68Å; W1162-C1170 HydrophobicContact CB-CB 4.47Å; L1167-C1170 HydrophobicContact CB-CB 4.29Å; L1167-C1170 WeakPolarHBondContact O-CB 3.45Å; T1168-C1170 PolarHBondContact O-N 3.42Å |
| 1171 | Y | 98.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 6% | 0.061 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 145 | -163.6 | -61.4 | -64.1 | 0 | 0 | 0 | 114 | F1087 Y1088 F1089 D1090 L1102 Y1103 N1116 Y1119 F1137 H1169 | F1087-Y1171 HydrophobicContact CD1-CE2 4.27Å; Y1088-Y1171 PolarHBondContact O-N 3.38Å; F1089-Y1171 AromaticContact CD1-CD2 3.98Å; F1089-Y1171 HydrophobicContact CD1-CD2 3.98Å; F1089-Y1171 HydrophobicContact CD1-CG 4.44Å; F1089-Y1171 AromaticContact CE1-CD2 3.52Å; F1089-Y1171 HydrophobicContact CE1-CD2 3.52Å; F1089-Y1171 HydrophobicContact CE1-CE2 4.25Å; F1089-Y1171 HydrophobicContact CE1-CG 4.32Å; F1089-Y1171 HydrophobicContact CZ-CD2 4.31Å; D1090-Y1171 PolarHBondContact N-O 3.43Å; L1102-Y1171 HydrophobicContact CD1-CD1 3.5Å; L1102-Y1171 HydrophobicContact CD1-CE1 3.77Å; L1102-Y1171 HydrophobicContact CD1-CG 4.42Å; L1102-Y1171 HydrophobicContact CD2-CD1 3.99Å; L1102-Y1171 HydrophobicContact CD2-CE1 4.27Å; L1102-Y1171 HydrophobicContact CD2-CG 4.22Å; L1102-Y1171 HydrophobicContact CG-CD1 4.28Å; Y1103-Y1171 WeakPolarHBondContact O-CA 3.44Å; N1116-Y1171 WeakPolarHBondContact CA-OH 3.4Å; N1116-Y1171 PolarHBondContact O-OH 3.03Å; N1116-Y1171 WeakPolarHBondContact OD1-CE1 3.26Å; N1116-Y1171 PolarHBondContact OD1-OH 2.82Å; Y1119-Y1171 WeakPolarHBondContact CB-OH 3.17Å; Y1119-Y1171 HydrophobicContact CD1-CD2 4.19Å; Y1119-Y1171 HydrophobicContact CD1-CE1 4.47Å; Y1119-Y1171 AromaticContact CD1-CE2 3.42Å; Y1119-Y1171 HydrophobicContact CD1-CE2 3.42Å; Y1119-Y1171 VanDerWaalsContact CD1-CE2 3.42Å; Y1119-Y1171 AromaticContact CD1-CZ 3.6Å; Y1119-Y1171 HydrophobicContact CE1-CD2 4.18Å; Y1119-Y1171 AromaticContact CE1-CE2 3.83Å; Y1119-Y1171 HydrophobicContact CE1-CE2 3.83Å; Y1119-Y1171 HydrophobicContact CG-CE2 4.12Å; F1137-Y1171 HydrophobicContact CE1-CE1 4.36Å; H1169-Y1171 HydrophobicContact CB-CD2 4.47Å; H1169-Y1171 HydrophobicContact CB-CE2 3.68Å; H1169-Y1171 AromaticContact ND1-CE2 3.98Å; H1169-Y1171 AromaticContact ND1-CZ 3.87Å; H1169-Y1171 PolarHBondContact ND1-OH 2.99Å |
| 1172 | T | 98.5 | Very high | 90 | Very high | 8 Ų | 8 | 16.8 Ų | 16.8 | 5% | 0.049 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 120 | 160.5 | -57.2 | 0 | 0 | 0 | 0 | 107.7 | D1090 H1092 L1102 Y1103 R1158 E1174 | D1090-T1172 CarbonylContact O-C 3.57Å; D1090-T1172 WeakPolarHBondContact O-CA 3.45Å; H1092-T1172 HydrophobicContact CB-CG2 4.37Å; H1092-T1172 VanDerWaalsContact CD2-CG2 3.46Å; H1092-T1172 WeakPolarHBondContact CD2-CG2 3.41Å; L1102-T1172 CarbonylContact C-O 3.58Å; L1102-T1172 VanDerWaalsContact CA-O 3.26Å; L1102-T1172 WeakPolarHBondContact CA-O 3.31Å; Y1103-T1172 HydrophobicContact CD2-CG2 4.49Å; Y1103-T1172 PolarHBondContact N-O 3.14Å; Y1103-T1172 PolarHBondContact O-N 2.82Å; R1158-T1172 VanDerWaalsContact CB-OG1 3.31Å; R1158-T1172 WeakPolarHBondContact CB-OG1 3.49Å; T1172-E1174 HydrophobicContact CG2-CG 4.28Å |
| 1173 | V | 98.4 | Very high | 88.2 | Confident | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 129.1 | 177.6 | -176.4 | 0 | 0 | 0 | 0 | 109.2 | F1089 D1090 L1091 H1092 L1102 L1263 | F1089-V1173 HydrophobicContact CD1-CG2 4.2Å; D1090-V1173 PolarHBondContact O-N 3.04Å; L1091-V1173 HydrophobicContact CD2-CB 3.71Å; L1091-V1173 HydrophobicContact CD2-CG1 4.39Å; L1091-V1173 HydrophobicContact CD2-CG2 3.85Å; H1092-V1173 WeakPolarHBondContact CA-O 3.34Å; H1092-V1173 WeakPolarHBondContact CB-O 3.5Å; H1092-V1173 PolarHBondContact N-O 3.42Å; L1102-V1173 HydrophobicContact CB-CG2 4.34Å; V1173-L1263 HydrophobicContact CG1-CD1 4.46Å; V1173-L1263 HydrophobicContact CG2-CD1 4.19Å; V1173-L1263 HydrophobicContact CG2-CD2 4.14Å |
| 1174 | E | 97 | Very high | 86.4 | Confident | 3 Ų | 3 | 13.5 Ų | 13.5 | 1% | 0.014 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 123 | -166.5 | -80.5 | -84 | -152.7 | 0 | 0 | 109.1 | H1092 H1094 C1100 F1101 Y1103 T1172 | H1092-E1174 HydrophobicContact CB-CG 4.49Å; H1094-E1174 VanDerWaalsContact CD2-C 3.42Å; H1094-E1174 IonicContact CD2-OE2 3.39Å; H1094-E1174 PolarHBondContact CD2-OE2 3.47Å; H1094-E1174 IonicContact CG-OE2 2.8Å; H1094-E1174 PolarHBondContact NE2-O 3.36Å; C1100-E1174 CarbonylContact C-O 3.55Å; C1100-E1174 WeakPolarHBondContact CA-O 3.44Å; F1101-E1174 HydrophobicContact CD2-CB 3.83Å; F1101-E1174 HydrophobicContact CE1-CB 4.46Å; F1101-E1174 HydrophobicContact CE2-CB 3.36Å; F1101-E1174 HydrophobicContact CE2-CG 3.92Å; F1101-E1174 HydrophobicContact CZ-CB 3.71Å; F1101-E1174 HydrophobicContact CZ-CG 4.49Å; F1101-E1174 PolarHBondContact N-O 2.71Å; F1101-E1174 PolarHBondContact O-N 3.13Å; Y1103-E1174 HydrophobicContact CD2-CG 4.08Å; Y1103-E1174 HydrophobicContact CE2-CG 3.73Å; Y1103-E1174 WeakPolarHBondContact CE2-OE1 3.13Å; T1172-E1174 HydrophobicContact CG2-CG 4.28Å |
| 1175 | C | 95.5 | Very high | 84.4 | Confident | 1 Ų | 1 | 18.8 Ų | 18.8 | 1% | 0.007 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 125.8 | -174.7 | -63.1 | 0 | 0 | 0 | 0 | 114.2 | P368 V372 H1092 G1093 H1094 C1100 Y1256 | P368-C1175 HydrophobicContact CB-CB 3.73Å; V372-C1175 VanDerWaalsContact CG2-SG 3.54Å; H1092-C1175 PolarHBondContact O-N 3.2Å; G1093-C1175 CarbonylContact C-O 3.11Å; G1093-C1175 WeakPolarHBondContact CA-O 3.49Å; H1094-C1175 VanDerWaalsContact CD2-C 3.49Å; H1094-C1175 PolarHBondContact CD2-N 3.49Å; H1094-C1175 VanDerWaalsContact CD2-N 3.28Å; H1094-C1175 PolarHBondContact N-O 3.32Å; H1094-C1175 VanDerWaalsContact NE2-C 3.3Å; H1094-C1175 PolarHBondContact NE2-N 2.91Å; C1100-C1175 HydrophobicContact CB-CB 4.41Å; C1100-C1175 VanDerWaalsContact SG-CB 3.55Å; C1100-C1175 PolarHBondContact SG-SG 3.17Å; C1175-Y1256 HydrophobicContact CB-CD1 4.03Å; C1175-Y1256 HydrophobicContact CB-CE1 4.14Å |
| 1176 | N | 93.5 | Very high | 82.6 | Confident | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 132.3 | 179.8 | -176 | -94.4 | 0 | 0 | 0 | 113.1 | H1094 K1097 G1099 N1178 S1179 Y1256 | H1094-N1176 PolarHBondContact CE1-N 2.67Å; H1094-N1176 PolarHBondContact NE2-N 2.93Å; H1094-N1176 WeakPolarHBondContact O-CA 3.1Å; K1097-N1176 PolarHBondContact O-ND2 3.45Å; G1099-N1176 WeakPolarHBondContact O-CB 3.45Å; G1099-N1176 PolarHBondContact O-N 2.84Å; N1176-N1178 PolarHBondContact O-N 3.18Å; N1176-N1178 VanDerWaalsContact O-N 3.13Å; N1176-N1178 VanDerWaalsContact OD1-CA 3.25Å; N1176-N1178 WeakPolarHBondContact OD1-CA 3.3Å; N1176-N1178 VanDerWaalsContact OD1-CB 3.25Å; N1176-N1178 WeakPolarHBondContact OD1-CB 3.5Å; N1176-N1178 PolarHBondContact OD1-N 3.36Å; N1176-S1179 PolarHBondContact OD1-N 3.13Å; N1176-S1179 PolarHBondContact OD1-O 2.86Å; N1176-Y1256 WeakPolarHBondContact O-CE1 3.35Å; N1176-Y1256 PolarHBondContact O-OH 3.43Å |
| 1177 | Y | 93.2 | Very high | 80.9 | Confident | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.096 | C | C | . | . | S | Bend | trans | -64.4 | -16 | 178.5 | -57.8 | -91 | 0 | 0 | 0 | 115.8 | I123 F128 R146 F180 C181 G365 E366 P368 H1094 Y1256 | I123-Y1177 HydrophobicContact CD1-CD2 3.97Å; I123-Y1177 HydrophobicContact CD1-CG 4.36Å; F128-Y1177 WeakPolarHBondContact CE2-O 3.48Å; R146-Y1177 PolarHBondContact NH2-O 3.2Å; F180-Y1177 HydrophobicContact CD1-CD1 4.36Å; F180-Y1177 HydrophobicContact CD1-CE1 4.31Å; F180-Y1177 AromaticContact CE1-CD1 3.85Å; F180-Y1177 HydrophobicContact CE1-CD1 3.85Å; F180-Y1177 HydrophobicContact CE1-CD2 4.1Å; F180-Y1177 AromaticContact CE1-CE1 3.84Å; F180-Y1177 HydrophobicContact CE1-CE1 3.84Å; F180-Y1177 HydrophobicContact CE1-CE2 4.14Å; F180-Y1177 AromaticContact CE1-CG 3.97Å; F180-Y1177 HydrophobicContact CE1-CG 3.97Å; F180-Y1177 AromaticContact CE1-CZ 4Å; C181-Y1177 HydrophobicContact CB-CD1 3.65Å; C181-Y1177 HydrophobicContact CB-CE1 4.43Å; C181-Y1177 HydrophobicContact CB-CG 4.43Å; G365-Y1177 WeakPolarHBondContact O-CE1 3.08Å; G365-Y1177 PolarHBondContact O-OH 3.44Å; E366-Y1177 WeakPolarHBondContact CA-OH 3.29Å; E366-Y1177 WeakPolarHBondContact CG-OH 3.08Å; P368-Y1177 VanDerWaalsContact CD-CE1 3.46Å; P368-Y1177 HydrophobicContact CG-CD1 3.56Å; P368-Y1177 HydrophobicContact CG-CE1 3.93Å; P368-Y1177 HydrophobicContact CG-CG 4.17Å; H1094-Y1177 WeakPolarHBondContact O-CD2 3.42Å; H1094-Y1177 PolarHBondContact O-N 2.82Å; Y1177-Y1256 VanDerWaalsContact C-OH 3.3Å; Y1177-Y1256 WeakPolarHBondContact CA-OH 3.38Å; Y1177-Y1256 PolarHBondContact O-OH 3.47Å |
| 1178 | N | 89.1 | Confident | 79.1 | Confident | 2 Ų | 2 | 24.6 Ų | 24.6 | 1% | 0.011 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -110.5 | -62 | -171.5 | -173.5 | 48 | 0 | 0 | 0 | 114.7 | I123 Q126 F128 N1176 R1250 Y1251 | I123-N1178 HydrophobicContact CD1-CB 4.4Å; I123-N1178 HydrophobicContact CG1-CB 4.33Å; Q126-N1178 PolarHBondContact O-ND2 2.71Å; F128-N1178 VanDerWaalsContact CA-OD1 3.26Å; F128-N1178 WeakPolarHBondContact CA-OD1 3.28Å; F128-N1178 HydrophobicContact CB-CB 3.96Å; F128-N1178 HydrophobicContact CD2-CB 3.64Å; F128-N1178 HydrophobicContact CG-CB 4.22Å; N1176-N1178 PolarHBondContact O-N 3.18Å; N1176-N1178 VanDerWaalsContact O-N 3.13Å; N1176-N1178 VanDerWaalsContact OD1-CA 3.25Å; N1176-N1178 WeakPolarHBondContact OD1-CA 3.3Å; N1176-N1178 VanDerWaalsContact OD1-CB 3.25Å; N1176-N1178 WeakPolarHBondContact OD1-CB 3.5Å; N1176-N1178 PolarHBondContact OD1-N 3.36Å; N1178-R1250 CarbonylContact O-C 3.48Å; N1178-R1250 WeakPolarHBondContact O-CA 3.34Å; N1178-Y1251 PolarHBondContact O-N 3.37Å |
| 1179 | S | 83.3 | Confident | 77.3 | Confident | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.007 | 13% | 0.126 | C | C | . | . | B | Isolated β-bridge | trans | -165.5 | 154 | -159.5 | 61.4 | 0 | 0 | 0 | 0 | 113.8 | G1099 N1176 | G1099-S1179 PolarHBondContact N-O 3.3Å; N1176-S1179 PolarHBondContact OD1-N 3.13Å; N1176-S1179 PolarHBondContact OD1-O 2.86Å |
| 1180 | G | 75.3 | Confident | 75.3 | Confident | 3 Ų | 3 | 26 Ų | 26 | 3% | 0.031 | 12% | 0.123 | C | C | . | . | P | Polyproline II helix | trans | -73.1 | 168.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | R1098 I1248 Y1251 | R1098-G1180 WeakPolarHBondContact CD-O 3.46Å; G1180-I1248 VanDerWaalsContact O-CG2 3.31Å; G1180-I1248 WeakPolarHBondContact O-CG2 3.42Å; G1180-Y1251 VanDerWaalsContact CA-CZ 3.43Å; G1180-Y1251 WeakPolarHBondContact CA-OH 3.49Å; G1180-Y1251 PolarHBondContact N-OH 3.31Å |
| 1181 | P | 66.7 | Low | 73.1 | Confident | 41 Ų | 41 | 26.8 Ų | 26.8 | 27% | 0.266 | 13% | 0.13 | S | C | . | . | P | Polyproline II helix | trans | -61.8 | 169 | 147.1 | 33.8 | -36.2 | 0 | 0 | 0 | 109.5 | G1099 D1131 | G1099-P1181 VanDerWaalsContact CA-CD 3.45Å; D1131-P1181 HydrophobicContact CB-CG 3.97Å |
| 1182 | L | 57.2 | Low | 70.5 | Confident | 110 Ų | 110 | 30.6 Ų | 30.6 | 58% | 0.576 | 16% | 0.156 | S | C | * | . | S | Bend | trans | -61.6 | 140.1 | 161.3 | -72.1 | 169.8 | 0 | 0 | 0 | 108.1 | S1184 I1248 | L1182-S1184 PolarHBondContact O-N 2.69Å; L1182-I1248 HydrophobicContact CD2-CG1 4.19Å; L1182-I1248 HydrophobicContact CG-CG1 4.42Å |
| 1183 | P | 57.5 | Low | 68.1 | Low | 20 Ų | 20 | 31.8 Ų | 31.8 | 13% | 0.13 | 17% | 0.167 | C | C | . | . | P | Polyproline II helix | trans | -55.9 | 130.7 | -178.3 | 21.7 | -32.4 | 0 | 0 | 0 | 110.3 | I1128 S1187 R1188 | I1128-P1183 HydrophobicContact CB-CB 4.42Å; P1183-S1187 WeakPolarHBondContact CA-OG 3.38Å; P1183-S1187 VanDerWaalsContact CB-OG 3.25Å; P1183-S1187 WeakPolarHBondContact CB-OG 3.37Å; P1183-R1188 HydrophobicContact CB-CG 3.93Å; P1183-R1188 HydrophobicContact CG-CG 3.76Å; P1183-R1188 PolarHBondContact O-NE 3.34Å; P1183-R1188 PolarHBondContact O-NH2 2.82Å |
| 1184 | S | 52.4 | Low | 65.3 | Low | 27 Ų | 27 | 38 Ų | 38 | 19% | 0.189 | 20% | 0.196 | C | C | . | . | P | Polyproline II helix | trans | -55.9 | 164.2 | 179.6 | 67 | 0 | 0 | 0 | 0 | 110.6 | L1182 L1186 S1187 R1188 M1326 | L1182-S1184 PolarHBondContact O-N 2.69Å; S1184-L1186 VanDerWaalsContact C-N 3.27Å; S1184-L1186 PolarHBondContact O-N 2.9Å; S1184-S1187 PolarHBondContact N-OG 2.63Å; S1184-S1187 PolarHBondContact O-N 2.93Å; S1184-S1187 PolarHBondContact O-OG 2.87Å; S1184-S1187 PolarHBondContact OG-N 3.2Å; S1184-S1187 PolarHBondContact OG-OG 3.04Å; S1184-R1188 PolarHBondContact O-N 3.46Å; S1184-M1326 WeakPolarHBondContact OG-CE 3.46Å |
| 1185 | R | 50.8 | Low | 62.7 | Low | 125 Ų | 125 | 41.9 Ų | 41.9 | 47% | 0.472 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -54.5 | -49.7 | 178.4 | -177.9 | 176.1 | 177.5 | 169.8 | 2.3 | 110 | S1187 R1188 F1189 | R1185-S1187 PolarHBondContact O-N 2.78Å; R1185-R1188 PolarHBondContact O-N 3.3Å; R1185-F1189 HydrophobicContact CG-CD2 3.73Å; R1185-F1189 HydrophobicContact CG-CE2 3.71Å; R1185-F1189 VanDerWaalsContact O-CD2 3.3Å; R1185-F1189 WeakPolarHBondContact O-CD2 3.3Å; R1185-F1189 PolarHBondContact O-N 2.83Å |
| 1186 | L | 56.3 | Low | 60 | Low | 3 Ų | 3 | 48.2 Ų | 48.2 | 2% | 0.016 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -56 | -50.9 | 176.2 | -176.3 | 72.6 | 0 | 0 | 0 | 112.7 | L1121 S1184 R1188 F1189 I1190 L1300 F1303 M1326 | L1121-L1186 HydrophobicContact CD1-CD2 4.3Å; S1184-L1186 VanDerWaalsContact C-N 3.27Å; S1184-L1186 PolarHBondContact O-N 2.9Å; L1186-R1188 VanDerWaalsContact C-N 3.27Å; L1186-R1188 PolarHBondContact O-N 2.91Å; L1186-F1189 PolarHBondContact O-N 2.83Å; L1186-F1189 VanDerWaalsContact O-N 3.11Å; L1186-I1190 HydrophobicContact CD1-CD1 3.75Å; L1186-I1190 HydrophobicContact CD1-CG1 4.26Å; L1186-I1190 HydrophobicContact CD2-CD1 4.26Å; L1186-I1190 HydrophobicContact CG-CD1 3.68Å; L1186-I1190 HydrophobicContact CG-CG1 4.37Å; L1186-I1190 WeakPolarHBondContact O-CG1 3.46Å; L1186-I1190 PolarHBondContact O-N 2.76Å; L1186-L1300 HydrophobicContact CD1-CD1 4.31Å; L1186-F1303 HydrophobicContact CD1-CD1 3.79Å; L1186-F1303 HydrophobicContact CD1-CD2 4.21Å; L1186-F1303 HydrophobicContact CD1-CE1 3.58Å; L1186-F1303 HydrophobicContact CD1-CE2 3.98Å; L1186-F1303 HydrophobicContact CD1-CG 4.16Å; L1186-F1303 HydrophobicContact CD1-CZ 3.68Å; L1186-F1303 HydrophobicContact CD2-CD1 4.27Å; L1186-F1303 HydrophobicContact CD2-CE1 3.38Å; L1186-F1303 HydrophobicContact CD2-CZ 3.61Å; L1186-F1303 HydrophobicContact CG-CE1 4.11Å; L1186-F1303 HydrophobicContact CG-CZ 4.27Å; L1186-M1326 HydrophobicContact CB-CE 3.62Å; L1186-M1326 HydrophobicContact CB-SD 3.43Å; L1186-M1326 WeakPolarHBondContact CB-SD 3.35Å; L1186-M1326 HydrophobicContact CD2-CE 3.74Å; L1186-M1326 HydrophobicContact CG-CE 4.34Å |
| 1187 | S | 56.4 | Low | 57.7 | Low | 3 Ų | 3 | 50 Ų | 50 | 2% | 0.021 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -68.7 | -26.4 | -176.3 | 71 | 0 | 0 | 0 | 0 | 112.7 | P1183 S1184 R1185 A1191 | P1183-S1187 WeakPolarHBondContact CA-OG 3.38Å; P1183-S1187 VanDerWaalsContact CB-OG 3.25Å; P1183-S1187 WeakPolarHBondContact CB-OG 3.37Å; S1184-S1187 PolarHBondContact N-OG 2.63Å; S1184-S1187 PolarHBondContact O-N 2.93Å; S1184-S1187 PolarHBondContact O-OG 2.87Å; S1184-S1187 PolarHBondContact OG-N 3.2Å; S1184-S1187 PolarHBondContact OG-OG 3.04Å; R1185-S1187 PolarHBondContact O-N 2.78Å; S1187-A1191 WeakPolarHBondContact O-CB 3.5Å; S1187-A1191 PolarHBondContact O-N 2.98Å |
| 1188 | R | 55.1 | Low | 55.2 | Low | 133 Ų | 133 | 54.1 Ų | 54.1 | 50% | 0.502 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -67.9 | -46.3 | 166.2 | -83.8 | -176.3 | -82.4 | 167.3 | -2.4 | 113.1 | P1183 S1184 R1185 L1186 I1190 A1191 S1192 | P1183-R1188 HydrophobicContact CB-CG 3.93Å; P1183-R1188 HydrophobicContact CG-CG 3.76Å; P1183-R1188 PolarHBondContact O-NE 3.34Å; P1183-R1188 PolarHBondContact O-NH2 2.82Å; S1184-R1188 PolarHBondContact O-N 3.46Å; R1185-R1188 PolarHBondContact O-N 3.3Å; L1186-R1188 VanDerWaalsContact C-N 3.27Å; L1186-R1188 PolarHBondContact O-N 2.91Å; R1188-I1190 PolarHBondContact O-N 3.17Å; R1188-A1191 CarbonylContact O-C 3.56Å; R1188-A1191 PolarHBondContact O-N 2.84Å; R1188-S1192 WeakPolarHBondContact O-CB 3.39Å; R1188-S1192 PolarHBondContact O-N 3.11Å; R1188-S1192 PolarHBondContact O-OG 2.99Å |
| 1189 | F | 55.3 | Low | 53.2 | Low | 59 Ų | 59 | 58.7 Ų | 58.7 | 26% | 0.259 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.7 | -43.4 | 177.7 | -89.6 | -81 | 0 | 0 | 0 | 111.9 | R1185 L1186 S1192 A1193 | R1185-F1189 HydrophobicContact CG-CD2 3.73Å; R1185-F1189 HydrophobicContact CG-CE2 3.71Å; R1185-F1189 VanDerWaalsContact O-CD2 3.3Å; R1185-F1189 WeakPolarHBondContact O-CD2 3.3Å; R1185-F1189 PolarHBondContact O-N 2.83Å; L1186-F1189 PolarHBondContact O-N 2.83Å; L1186-F1189 VanDerWaalsContact O-N 3.11Å; F1189-S1192 WeakPolarHBondContact CA-OG 3.34Å; F1189-S1192 PolarHBondContact O-N 2.72Å; F1189-S1192 PolarHBondContact O-OG 2.98Å; F1189-A1193 PolarHBondContact O-N 3.21Å |
| 1190 | I | 54.7 | Low | 51.6 | Low | 6 Ų | 6 | 59 Ų | 59 | 3% | 0.031 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -71.2 | -37.9 | 178.4 | -62.2 | 175.2 | 0 | 0 | 0 | 111.2 | V1125 L1186 R1188 S1192 A1193 K1278 | V1125-I1190 HydrophobicContact CB-CD1 4.12Å; V1125-I1190 HydrophobicContact CG1-CD1 4.08Å; V1125-I1190 HydrophobicContact CG1-CG2 4.44Å; V1125-I1190 HydrophobicContact CG2-CD1 3.79Å; V1125-I1190 WeakPolarHBondContact O-CG2 3.34Å; L1186-I1190 HydrophobicContact CD1-CD1 3.75Å; L1186-I1190 HydrophobicContact CD1-CG1 4.26Å; L1186-I1190 HydrophobicContact CD2-CD1 4.26Å; L1186-I1190 HydrophobicContact CG-CD1 3.68Å; L1186-I1190 HydrophobicContact CG-CG1 4.37Å; L1186-I1190 WeakPolarHBondContact O-CG1 3.46Å; L1186-I1190 PolarHBondContact O-N 2.76Å; R1188-I1190 PolarHBondContact O-N 3.17Å; I1190-S1192 PolarHBondContact O-N 3Å; I1190-A1193 VanDerWaalsContact O-CB 3.27Å; I1190-A1193 WeakPolarHBondContact O-CB 3.37Å; I1190-A1193 PolarHBondContact O-N 2.99Å; I1190-K1278 HydrophobicContact CG2-CB 4.28Å; I1190-K1278 HydrophobicContact CG2-CD 3.97Å |
| 1191 | A | 49.8 | Very low | 50.1 | Low | 17 Ų | 17 | 63.7 Ų | 63.7 | 14% | 0.14 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -74.1 | -10.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | I1128 S1187 R1188 I1204 | I1128-A1191 HydrophobicContact CG2-CB 3.63Å; S1187-A1191 WeakPolarHBondContact O-CB 3.5Å; S1187-A1191 PolarHBondContact O-N 2.98Å; R1188-A1191 CarbonylContact O-C 3.56Å; R1188-A1191 PolarHBondContact O-N 2.84Å; A1191-I1204 HydrophobicContact CB-CG1 4.25Å; A1191-I1204 HydrophobicContact CB-CG2 4.1Å |
| 1192 | S | 44 | Very low | 49 | Very low | 81 Ų | 81 | 62.7 Ų | 62.7 | 57% | 0.566 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | -0.1 | 169.1 | 65.2 | 0 | 0 | 0 | 0 | 113.9 | R1188 F1189 I1190 H1194 | R1188-S1192 WeakPolarHBondContact O-CB 3.39Å; R1188-S1192 PolarHBondContact O-N 3.11Å; R1188-S1192 PolarHBondContact O-OG 2.99Å; F1189-S1192 WeakPolarHBondContact CA-OG 3.34Å; F1189-S1192 PolarHBondContact O-N 2.72Å; F1189-S1192 PolarHBondContact O-OG 2.98Å; I1190-S1192 PolarHBondContact O-N 3Å; S1192-H1194 PolarHBondContact O-N 3Å |
| 1193 | A | 49.1 | Very low | 47.8 | Very low | 33 Ų | 33 | 59.8 Ų | 59.8 | 27% | 0.273 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -57.9 | 130.2 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | F1189 I1190 L1294 | F1189-A1193 PolarHBondContact O-N 3.21Å; I1190-A1193 VanDerWaalsContact O-CB 3.27Å; I1190-A1193 WeakPolarHBondContact O-CB 3.37Å; I1190-A1193 PolarHBondContact O-N 2.99Å; A1193-L1294 HydrophobicContact CB-CD2 3.98Å |
| 1194 | H | 38.6 | Very low | 46.7 | Very low | 130 Ų | 130 | 61.1 Ų | 61.1 | 60% | 0.602 | 32% | 0.321 | S | S | * | . | trans | -63.3 | 133.8 | -170.2 | -159.6 | -94.3 | 0 | 0 | 0 | 110.6 | S1192 N1196 | S1192-H1194 PolarHBondContact O-N 3Å; H1194-N1196 PolarHBondContact CE1-OD1 3.07Å; H1194-N1196 PolarHBondContact ND1-OD1 2.75Å; H1194-N1196 PolarHBondContact O-N 2.88Å | ||
| 1195 | P | 42.1 | Very low | 45.7 | Very low | 84 Ų | 84 | 61.3 Ų | 61.3 | 55% | 0.545 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | 32.9 | 180 | 31.6 | -36.5 | 0 | 0 | 0 | 114.1 | D1197 S1198 | P1195-D1197 CarbonylContact O-C 3.48Å; P1195-D1197 PolarHBondContact O-N 3.03Å; P1195-S1198 PolarHBondContact O-N 2.93Å |
| 1196 | N | 40.6 | Very low | 44.8 | Very low | 134 Ų | 134 | 59.8 Ų | 59.8 | 72% | 0.717 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -20.6 | 157.3 | -74.8 | 9.3 | 0 | 0 | 0 | 111 | H1194 S1198 | H1194-N1196 PolarHBondContact CE1-OD1 3.07Å; H1194-N1196 PolarHBondContact ND1-OD1 2.75Å; H1194-N1196 PolarHBondContact O-N 2.88Å; N1196-S1198 PolarHBondContact O-N 3.04Å |
| 1197 | D | 44.4 | Very low | 43.8 | Very low | 39 Ų | 39 | 63.1 Ų | 63.1 | 21% | 0.209 | 35% | 0.346 | C | S | . | . | trans | -52.7 | 37.5 | 154.6 | -108.3 | 29.4 | 0 | 0 | 0 | 114.5 | P1195 K1199 C1200 | P1195-D1197 CarbonylContact O-C 3.48Å; P1195-D1197 PolarHBondContact O-N 3.03Å; D1197-K1199 PolarHBondContact O-N 3.29Å; D1197-K1199 VanDerWaalsContact O-N 3.14Å; D1197-C1200 HydrophobicContact CB-CB 3.79Å; D1197-C1200 VanDerWaalsContact CG-SG 3.57Å; D1197-C1200 CarbonylContact O-C 3.59Å; D1197-C1200 WeakPolarHBondContact O-CA 3.31Å; D1197-C1200 VanDerWaalsContact O-CB 3.26Å; D1197-C1200 WeakPolarHBondContact O-CB 3.35Å; D1197-C1200 PolarHBondContact O-N 2.71Å; D1197-C1200 WeakPolarHBondContact OD2-CB 3.23Å; D1197-C1200 PolarHBondContact OD2-SG 2.88Å | ||
| 1198 | S | 40.3 | Very low | 42.7 | Very low | 85 Ų | 85 | 65.7 Ų | 65.7 | 59% | 0.594 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -26.3 | 178.5 | 61.4 | 0 | 0 | 0 | 0 | 112.9 | P1195 N1196 F1201 | P1195-S1198 PolarHBondContact O-N 2.93Å; N1196-S1198 PolarHBondContact O-N 3.04Å; S1198-F1201 VanDerWaalsContact O-CD2 3.29Å; S1198-F1201 WeakPolarHBondContact O-CD2 3.42Å |
| 1199 | K | 47.6 | Very low | 41.4 | Very low | 99 Ų | 99 | 61.7 Ų | 61.7 | 43% | 0.43 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -30 | 170.4 | -68 | 178.6 | 171.4 | 176.6 | 0 | 113.3 | D1197 F1201 W1276 E1288 | D1197-K1199 PolarHBondContact O-N 3.29Å; D1197-K1199 VanDerWaalsContact O-N 3.14Å; K1199-F1201 PolarHBondContact O-N 2.96Å; K1199-W1276 HydrophobicContact CB-CD2 4.17Å; K1199-W1276 HydrophobicContact CB-CH2 4.31Å; K1199-W1276 HydrophobicContact CB-CZ2 3.83Å; K1199-W1276 HydrophobicContact CD-CZ2 4.26Å; K1199-W1276 HydrophobicContact CG-CZ2 4.35Å; K1199-W1276 VanDerWaalsContact O-CZ3 3.23Å; K1199-W1276 WeakPolarHBondContact O-CZ3 3.43Å; K1199-E1288 WeakPolarHBondContact CD-OE2 3.31Å; K1199-E1288 IonicContact NZ-OE2 2.77Å; K1199-E1288 PolarHBondContact NZ-OE2 2.97Å |
| 1200 | C | 49.5 | Very low | 40.2 | Very low | 7 Ų | 7 | 64.7 Ų | 64.7 | 5% | 0.047 | 38% | 0.382 | C | S | . | . | S | Bend | trans | -71.7 | 76.4 | 168.4 | -82.2 | 0 | 0 | 0 | 0 | 109.9 | D1197 T1202 W1276 | D1197-C1200 HydrophobicContact CB-CB 3.79Å; D1197-C1200 VanDerWaalsContact CG-SG 3.57Å; D1197-C1200 CarbonylContact O-C 3.59Å; D1197-C1200 WeakPolarHBondContact O-CA 3.31Å; D1197-C1200 VanDerWaalsContact O-CB 3.26Å; D1197-C1200 WeakPolarHBondContact O-CB 3.35Å; D1197-C1200 PolarHBondContact O-N 2.71Å; D1197-C1200 WeakPolarHBondContact OD2-CB 3.23Å; D1197-C1200 PolarHBondContact OD2-SG 2.88Å; C1200-T1202 CarbonylContact O-C 3.57Å; C1200-T1202 PolarHBondContact O-N 3.46Å; C1200-W1276 VanDerWaalsContact SG-CB 3.52Å |
| 1201 | F | 43.6 | Very low | 39 | Very low | 102 Ų | 102 | 67.7 Ų | 67.7 | 45% | 0.447 | 40% | 0.395 | S | S | . | . | trans | -69.7 | 34.2 | -178.2 | -111.9 | -76.2 | 0 | 0 | 0 | 115.1 | V626 S1198 K1199 | V626-F1201 HydrophobicContact CG2-CD2 4.05Å; V626-F1201 HydrophobicContact CG2-CG 4.48Å; S1198-F1201 VanDerWaalsContact O-CD2 3.29Å; S1198-F1201 WeakPolarHBondContact O-CD2 3.42Å; K1199-F1201 PolarHBondContact O-N 2.96Å | ||
| 1202 | T | 42.8 | Very low | 38.2 | Very low | 20 Ų | 20 | 68.9 Ų | 68.9 | 12% | 0.123 | 40% | 0.396 | C | S | . | . | trans | -111 | 72.1 | 149.3 | 49.3 | 0 | 0 | 0 | 0 | 109.4 | C1200 I1204 | C1200-T1202 CarbonylContact O-C 3.57Å; C1200-T1202 PolarHBondContact O-N 3.46Å; T1202-I1204 PolarHBondContact O-N 3Å | ||
| 1203 | P | 32.5 | Very low | 37.7 | Very low | 48 Ų | 48 | 68.6 Ų | 68.6 | 31% | 0.312 | 39% | 0.394 | S | S | . | . | trans | -52.3 | 137 | 169.4 | -26.9 | 34.4 | 0 | 0 | 0 | 110.6 | G1205 T1206 | P1203-G1205 PolarHBondContact O-N 2.8Å; P1203-T1206 HydrophobicContact CB-CG2 3.99Å; P1203-T1206 WeakPolarHBondContact CD-OG1 3.49Å; P1203-T1206 HydrophobicContact CG-CG2 3.73Å | ||
| 1204 | I | 35.4 | Very low | 37 | Very low | 49 Ų | 49 | 70.7 Ų | 70.7 | 25% | 0.251 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | 69.1 | 163.8 | -55.6 | 108.3 | 0 | 0 | 0 | 107.6 | A1191 T1202 W1212 | A1191-I1204 HydrophobicContact CB-CG1 4.25Å; A1191-I1204 HydrophobicContact CB-CG2 4.1Å; T1202-I1204 PolarHBondContact O-N 3Å; I1204-W1212 HydrophobicContact CG2-CZ2 3.89Å |
| 1205 | G | 31.6 | Very low | 36.6 | Very low | 30 Ų | 30 | 66.6 Ų | 66.6 | 31% | 0.309 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 173.1 | -35.9 | -170.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | P1203 F1207 Y1208 | P1203-G1205 PolarHBondContact O-N 2.8Å; G1205-F1207 VanDerWaalsContact C-N 3.25Å; G1205-F1207 PolarHBondContact O-N 2.77Å; G1205-F1207 VanDerWaalsContact O-N 3.09Å; G1205-Y1208 VanDerWaalsContact CA-CD2 3.4Å; G1205-Y1208 WeakPolarHBondContact O-CB 3.43Å; G1205-Y1208 PolarHBondContact O-N 3.37Å |
| 1206 | T | 32 | Very low | 36.2 | Very low | 93 Ų | 93 | 65.6 Ų | 65.6 | 57% | 0.571 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -12.3 | -169.9 | 37.6 | 0 | 0 | 0 | 0 | 116.2 | P1203 | P1203-T1206 HydrophobicContact CB-CG2 3.99Å; P1203-T1206 WeakPolarHBondContact CD-OG1 3.49Å; P1203-T1206 HydrophobicContact CG-CG2 3.73Å |
| 1207 | F | 33.8 | Very low | 35.9 | Very low | 73 Ų | 73 | 63.6 Ų | 63.6 | 32% | 0.32 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.6 | 2.8 | 169.7 | -70.2 | -69.9 | 0 | 0 | 0 | 113.7 | G1205 A1254 | G1205-F1207 VanDerWaalsContact C-N 3.25Å; G1205-F1207 PolarHBondContact O-N 2.77Å; G1205-F1207 VanDerWaalsContact O-N 3.09Å; F1207-A1254 HydrophobicContact CB-CB 4.24Å; F1207-A1254 HydrophobicContact CD1-CB 3.26Å; F1207-A1254 HydrophobicContact CE1-CB 3.58Å; F1207-A1254 HydrophobicContact CG-CB 3.79Å; F1207-A1254 HydrophobicContact CZ-CB 4.37Å |
| 1208 | Y | 33.8 | Very low | 35.5 | Very low | 57 Ų | 57 | 64.3 Ų | 64.3 | 22% | 0.224 | 37% | 0.37 | C | S | . | . | trans | -100.4 | 119.5 | -175.4 | -59 | -107 | 0 | 0 | 0 | 108.3 | I1128 Y1129 G1205 W1212 | I1128-Y1208 HydrophobicContact CD1-CE1 4.39Å; I1128-Y1208 WeakPolarHBondContact CD1-OH 3.5Å; Y1129-Y1208 VanDerWaalsContact OH-CZ 3.26Å; Y1129-Y1208 PolarHBondContact OH-OH 2.96Å; Y1129-Y1208 VanDerWaalsContact OH-OH 3.13Å; G1205-Y1208 VanDerWaalsContact CA-CD2 3.4Å; G1205-Y1208 WeakPolarHBondContact O-CB 3.43Å; G1205-Y1208 PolarHBondContact O-N 3.37Å; Y1208-W1212 HydrophobicContact CD1-CB 3.78Å; Y1208-W1212 AromaticContact CD1-CD2 3.57Å; Y1208-W1212 HydrophobicContact CD1-CD2 3.57Å; Y1208-W1212 AromaticContact CD1-CE3 3.67Å; Y1208-W1212 HydrophobicContact CD1-CE3 3.67Å; Y1208-W1212 AromaticContact CD1-CG 3.64Å; Y1208-W1212 HydrophobicContact CD1-CG 3.64Å; Y1208-W1212 HydrophobicContact CD1-CZ3 4.43Å; Y1208-W1212 AromaticContact CE1-CD2 3.68Å; Y1208-W1212 HydrophobicContact CE1-CD2 3.68Å; Y1208-W1212 AromaticContact CE1-CE3 3.62Å; Y1208-W1212 HydrophobicContact CE1-CE3 3.62Å; Y1208-W1212 HydrophobicContact CE1-CG 4.19Å; Y1208-W1212 HydrophobicContact CE1-CH2 4.3Å; Y1208-W1212 HydrophobicContact CE1-CZ2 4.36Å; Y1208-W1212 AromaticContact CE1-CZ3 3.94Å; Y1208-W1212 HydrophobicContact CE1-CZ3 3.94Å; Y1208-W1212 HydrophobicContact CG-CB 3.99Å; Y1208-W1212 HydrophobicContact CG-CD2 4.37Å; Y1208-W1212 HydrophobicContact CG-CG 4.01Å | ||
| 1209 | G | 28.3 | Very low | 35.1 | Very low | 49 Ų | 49 | 62.8 Ų | 62.8 | 51% | 0.505 | 36% | 0.363 | S | S | . | . | trans | -60 | 172.1 | 163 | 0 | 0 | 0 | 0 | 0 | 111 | H1211 W1212 | G1209-H1211 PolarHBondContact O-N 2.83Å; G1209-W1212 PolarHBondContact O-N 3.43Å | ||
| 1210 | P | 29 | Very low | 34.4 | Very low | 123 Ų | 123 | 61.3 Ų | 61.3 | 80% | 0.799 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -6.8 | -167.1 | 18.8 | -32.8 | 0 | 0 | 0 | 117 | W1212 | P1210-W1212 PolarHBondContact O-N 3.05Š|
| 1211 | H | 29.6 | Very low | 33.5 | Very low | 69 Ų | 69 | 65.4 Ų | 65.4 | 32% | 0.319 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -77.4 | -9.3 | -177 | -158.1 | -67 | 0 | 0 | 0 | 115.1 | G1209 M1215 A1244 | G1209-H1211 PolarHBondContact O-N 2.83Å; H1211-M1215 PolarHBondContact O-N 3.44Å; H1211-A1244 PolarHBondContact CE1-O 2.86Å; H1211-A1244 VanDerWaalsContact NE2-C 3.3Å; H1211-A1244 WeakPolarHBondContact NE2-CB 3.42Å; H1211-A1244 PolarHBondContact NE2-O 3.15Å |
| 1212 | W | 34.4 | Very low | 32.9 | Very low | 42 Ų | 42 | 68.5 Ų | 68.5 | 16% | 0.159 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -81.9 | -37.2 | -178.3 | -176.6 | -108 | 0 | 0 | 0 | 113.6 | I1128 I1204 Y1208 G1209 P1210 D1214 M1215 V1216 | I1128-W1212 HydrophobicContact CD1-CH2 3.97Å; I1204-W1212 HydrophobicContact CG2-CZ2 3.89Å; Y1208-W1212 HydrophobicContact CD1-CB 3.78Å; Y1208-W1212 AromaticContact CD1-CD2 3.57Å; Y1208-W1212 HydrophobicContact CD1-CD2 3.57Å; Y1208-W1212 AromaticContact CD1-CE3 3.67Å; Y1208-W1212 HydrophobicContact CD1-CE3 3.67Å; Y1208-W1212 AromaticContact CD1-CG 3.64Å; Y1208-W1212 HydrophobicContact CD1-CG 3.64Å; Y1208-W1212 HydrophobicContact CD1-CZ3 4.43Å; Y1208-W1212 AromaticContact CE1-CD2 3.68Å; Y1208-W1212 HydrophobicContact CE1-CD2 3.68Å; Y1208-W1212 AromaticContact CE1-CE3 3.62Å; Y1208-W1212 HydrophobicContact CE1-CE3 3.62Å; Y1208-W1212 HydrophobicContact CE1-CG 4.19Å; Y1208-W1212 HydrophobicContact CE1-CH2 4.3Å; Y1208-W1212 HydrophobicContact CE1-CZ2 4.36Å; Y1208-W1212 AromaticContact CE1-CZ3 3.94Å; Y1208-W1212 HydrophobicContact CE1-CZ3 3.94Å; Y1208-W1212 HydrophobicContact CG-CB 3.99Å; Y1208-W1212 HydrophobicContact CG-CD2 4.37Å; Y1208-W1212 HydrophobicContact CG-CG 4.01Å; G1209-W1212 PolarHBondContact O-N 3.43Å; P1210-W1212 PolarHBondContact O-N 3.05Å; W1212-D1214 PolarHBondContact O-N 3.02Å; W1212-M1215 HydrophobicContact CE3-CB 4.21Å; W1212-M1215 HydrophobicContact CE3-CE 4.49Å; W1212-M1215 HydrophobicContact CE3-SD 4.13Å; W1212-M1215 HydrophobicContact CZ3-CE 4.12Å; W1212-M1215 HydrophobicContact CZ3-SD 4.34Å; W1212-M1215 PolarHBondContact O-N 3.45Å; W1212-V1216 HydrophobicContact CD2-CG2 4.13Å; W1212-V1216 HydrophobicContact CG-CG2 4.36Å; W1212-V1216 HydrophobicContact CZ2-CG2 3.9Å; W1212-V1216 PolarHBondContact O-N 2.55Å |
| 1213 | S | 33.6 | Very low | 32.3 | Very low | 75 Ų | 75 | 70.3 Ų | 70.3 | 52% | 0.524 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -53.5 | -44.7 | 172.4 | -51.6 | 0 | 0 | 0 | 0 | 110.4 | M1215 V1216 N1217 | S1213-M1215 PolarHBondContact O-N 3.5Å; S1213-V1216 PolarHBondContact O-N 3.25Å; S1213-N1217 WeakPolarHBondContact O-CB 3.33Å; S1213-N1217 PolarHBondContact O-N 3.21Å; S1213-N1217 PolarHBondContact O-ND2 3.37Å |
| 1214 | D | 32.6 | Very low | 32 | Very low | 76 Ų | 76 | 77 Ų | 77 | 41% | 0.406 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -65.3 | -36.1 | 177.3 | -56.3 | -24.1 | 0 | 0 | 0 | 112.7 | W1212 T1218 L1245 | W1212-D1214 PolarHBondContact O-N 3.02Å; D1214-T1218 WeakPolarHBondContact O-CB 3.18Å; D1214-T1218 PolarHBondContact O-N 3.5Å; D1214-T1218 PolarHBondContact O-OG1 3.32Å; D1214-L1245 HydrophobicContact CB-CD1 4.17Å; D1214-L1245 HydrophobicContact CB-CD2 3.65Å; D1214-L1245 HydrophobicContact CB-CG 4.22Å |
| 1215 | M | 31.3 | Very low | 31.5 | Very low | 45 Ų | 45 | 82.2 Ų | 82.2 | 22% | 0.222 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -71 | -43.3 | 177.3 | -77.3 | -175.2 | 66.2 | 0 | 0 | 112.7 | H1211 W1212 S1213 T1218 A1219 L1245 | H1211-M1215 PolarHBondContact O-N 3.44Å; W1212-M1215 HydrophobicContact CE3-CB 4.21Å; W1212-M1215 HydrophobicContact CE3-CE 4.49Å; W1212-M1215 HydrophobicContact CE3-SD 4.13Å; W1212-M1215 HydrophobicContact CZ3-CE 4.12Å; W1212-M1215 HydrophobicContact CZ3-SD 4.34Å; W1212-M1215 PolarHBondContact O-N 3.45Å; S1213-M1215 PolarHBondContact O-N 3.5Å; M1215-T1218 PolarHBondContact O-N 3.2Å; M1215-A1219 VanDerWaalsContact O-CB 3.31Å; M1215-A1219 WeakPolarHBondContact O-CB 3.22Å; M1215-A1219 PolarHBondContact O-N 3.29Å; M1215-L1245 HydrophobicContact CG-CD2 4.03Å |
| 1216 | V | 34.5 | Very low | 31 | Very low | 62 Ų | 62 | 90.6 Ų | 90.6 | 38% | 0.376 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.9 | -46.6 | 176.2 | 177.9 | 0 | 0 | 0 | 0 | 109.6 | W1212 S1213 T1218 A1219 S1220 | W1212-V1216 HydrophobicContact CD2-CG2 4.13Å; W1212-V1216 HydrophobicContact CG-CG2 4.36Å; W1212-V1216 HydrophobicContact CZ2-CG2 3.9Å; W1212-V1216 PolarHBondContact O-N 2.55Å; S1213-V1216 PolarHBondContact O-N 3.25Å; V1216-T1218 VanDerWaalsContact C-N 3.33Å; V1216-T1218 PolarHBondContact O-N 2.99Å; V1216-A1219 PolarHBondContact O-N 3.23Å; V1216-A1219 VanDerWaalsContact O-N 3.11Å; V1216-S1220 PolarHBondContact O-N 3.3Å; V1216-S1220 PolarHBondContact O-OG 2.8Å; V1216-S1220 VanDerWaalsContact O-OG 3.1Å |
| 1217 | N | 34.3 | Very low | 30.6 | Very low | 92 Ų | 92 | 90.6 Ų | 90.6 | 49% | 0.492 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.2 | -37.6 | 176.7 | -70.2 | -17.5 | 0 | 0 | 0 | 112.2 | S1213 S1220 S1221 | S1213-N1217 WeakPolarHBondContact O-CB 3.33Å; S1213-N1217 PolarHBondContact O-N 3.21Å; S1213-N1217 PolarHBondContact O-ND2 3.37Å; N1217-S1220 WeakPolarHBondContact CA-OG 3.45Å; N1217-S1220 PolarHBondContact O-OG 2.77Å; N1217-S1221 WeakPolarHBondContact O-CB 3.26Å; N1217-S1221 PolarHBondContact O-N 3.14Å; N1217-S1221 PolarHBondContact O-OG 3.42Å |
| 1218 | T | 35.7 | Very low | 30.1 | Very low | 54 Ų | 54 | 96.4 Ų | 96.4 | 33% | 0.331 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -68.1 | -38.2 | 174.3 | -58.2 | 0 | 0 | 0 | 0 | 111.3 | D1214 M1215 V1216 S1221 Q1222 | D1214-T1218 WeakPolarHBondContact O-CB 3.18Å; D1214-T1218 PolarHBondContact O-N 3.5Å; D1214-T1218 PolarHBondContact O-OG1 3.32Å; M1215-T1218 PolarHBondContact O-N 3.2Å; V1216-T1218 VanDerWaalsContact C-N 3.33Å; V1216-T1218 PolarHBondContact O-N 2.99Å; T1218-S1221 PolarHBondContact O-N 3.36Å; T1218-Q1222 WeakPolarHBondContact O-CG 3.41Å; T1218-Q1222 PolarHBondContact O-N 3.34Å |
| 1219 | A | 31.1 | Very low | 29.7 | Very low | 54 Ų | 54 | 100.8 Ų | 100.8 | 45% | 0.446 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -69.8 | -37.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | M1215 V1216 | M1215-A1219 VanDerWaalsContact O-CB 3.31Å; M1215-A1219 WeakPolarHBondContact O-CB 3.22Å; M1215-A1219 PolarHBondContact O-N 3.29Å; V1216-A1219 PolarHBondContact O-N 3.23Å; V1216-A1219 VanDerWaalsContact O-N 3.11Å |
| 1220 | S | 32.4 | Very low | 29.6 | Very low | 67 Ų | 67 | 103 Ų | 103 | 47% | 0.469 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -77.1 | -27.4 | 173.1 | 59.5 | 0 | 0 | 0 | 0 | 112.7 | V1216 N1217 Q1222 | V1216-S1220 PolarHBondContact O-N 3.3Å; V1216-S1220 PolarHBondContact O-OG 2.8Å; V1216-S1220 VanDerWaalsContact O-OG 3.1Å; N1217-S1220 WeakPolarHBondContact CA-OG 3.45Å; N1217-S1220 PolarHBondContact O-OG 2.77Å; S1220-Q1222 VanDerWaalsContact C-N 3.34Å |
| 1221 | S | 31.4 | Very low | 29.3 | Very low | 93 Ų | 93 | 103.8 Ų | 103.8 | 65% | 0.65 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -75.4 | -17.7 | 175.7 | -60 | 0 | 0 | 0 | 0 | 114.1 | N1217 T1218 S1223 | N1217-S1221 WeakPolarHBondContact O-CB 3.26Å; N1217-S1221 PolarHBondContact O-N 3.14Å; N1217-S1221 PolarHBondContact O-OG 3.42Å; T1218-S1221 PolarHBondContact O-N 3.36Å; S1221-S1223 VanDerWaalsContact C-N 3.27Å; S1221-S1223 PolarHBondContact O-N 2.86Å |
| 1222 | Q | 31.8 | Very low | 29 | Very low | 167 Ų | 167 | 105.8 Ų | 105.8 | 78% | 0.78 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | 6.3 | 178.7 | -74.2 | -173 | 3.7 | 0 | 0 | 114.2 | T1218 S1220 | T1218-Q1222 WeakPolarHBondContact O-CG 3.41Å; T1218-Q1222 PolarHBondContact O-N 3.34Å; S1220-Q1222 VanDerWaalsContact C-N 3.34Å |
| 1223 | S | 30 | Very low | 28.5 | Very low | 59 Ų | 59 | 109 Ų | 109 | 41% | 0.413 | 63% | 0.631 | S | S | . | * | S | Bend | trans | -142.6 | 139.4 | 167.8 | 51.7 | 0 | 0 | 0 | 0 | 108 | S1221 | S1221-S1223 VanDerWaalsContact C-N 3.27Å; S1221-S1223 PolarHBondContact O-N 2.86Å |
| 1224 | F | 25.1 | Very low | 28.2 | Very low | 189 Ų | 189 | 112.6 Ų | 112.6 | 83% | 0.829 | 65% | 0.65 | S | S | * | * | S | Bend | trans | 76.2 | 64.6 | -173.7 | -45.1 | -73.2 | 0 | 0 | 0 | 115.8 | ||
| 1225 | N | 25 | Very low | 27.8 | Very low | 157 Ų | 157 | 113.3 Ų | 113.3 | 84% | 0.84 | 66% | 0.662 | S | S | * | * | -165.5 | 88 | 128.7 | -96.1 | -21.7 | 0 | 0 | 0 | 110.7 | |||||
| 1226 | F | 21.6 | Very low | 27.4 | Very low | 206 Ų | 206 | 119.3 Ų | 119.3 | 90% | 0.904 | 69% | 0.689 | S | S | * | * | trans | -80.1 | 137.5 | 157.1 | -92.5 | -94.2 | 0 | 0 | 0 | 108.2 | ||||
| 1227 | S | 23.7 | Very low | 27.1 | Very low | 93 Ų | 93 | 122.8 Ų | 122.8 | 65% | 0.65 | 71% | 0.71 | S | S | * | * | trans | 64.4 | 127.7 | -174.8 | 71.2 | 0 | 0 | 0 | 0 | 114 | ||||
| 1228 | F | 23.4 | Very low | 26.6 | Very low | 196 Ų | 196 | 124.7 Ų | 124.7 | 86% | 0.86 | 73% | 0.73 | S | S | * | * | -145 | 175.3 | 53.3 | -111.2 | -98.3 | 0 | 0 | 0 | 114.4 | |||||
| 1229 | N | 25 | Very low | 26.1 | Very low | 148 Ų | 148 | 130.5 Ų | 130.5 | 79% | 0.791 | 75% | 0.754 | S | S | * | * | trans | -79.8 | 153.5 | -169.5 | -73.9 | -46.8 | 0 | 0 | 0 | 115.6 | ||||
| 1230 | A | 25.3 | Very low | 25.8 | Very low | 96 Ų | 96 | 134.2 Ų | 134.2 | 79% | 0.793 | 78% | 0.777 | S | S | * | * | trans | 50.6 | 98.8 | 141.8 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1231 | C | 23.9 | Very low | 25.6 | Very low | 140 Ų | 140 | 134.3 Ų | 134.3 | 95% | 0.946 | 79% | 0.788 | S | S | * | * | trans | -143.3 | 111.4 | 138.4 | -123.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1232 | S | 23 | Very low | 25.2 | Very low | 111 Ų | 111 | 140.7 Ų | 140.7 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | trans | -88.8 | 162.7 | 178.8 | 47.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1233 | S | 24.6 | Very low | 25 | Very low | 109 Ų | 109 | 142 Ų | 142 | 76% | 0.762 | 81% | 0.806 | S | S | * | * | trans | 68.1 | 92.5 | 166.7 | 60.6 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1234 | T | 27.5 | Very low | 25 | Very low | 150 Ų | 150 | 142.4 Ų | 142.4 | 92% | 0.92 | 81% | 0.813 | S | S | * | * | trans | -142.5 | 105.1 | 131.6 | 32.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 1235 | S | 22.9 | Very low | 25.1 | Very low | 92 Ų | 92 | 136.9 Ų | 136.9 | 64% | 0.643 | 79% | 0.792 | S | S | * | * | trans | -94.9 | 167.8 | 169.3 | 50.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1236 | H | 24.2 | Very low | 25.6 | Very low | 171 Ų | 171 | 137.3 Ų | 137.3 | 79% | 0.792 | 79% | 0.794 | S | S | * | * | trans | 80.9 | 81.2 | 176.1 | -45.8 | -73.3 | 0 | 0 | 0 | 117.1 | ||||
| 1237 | T | 26.9 | Very low | 27 | Very low | 135 Ų | 135 | 129.7 Ų | 129.7 | 83% | 0.828 | 77% | 0.773 | S | S | * | * | -162.2 | 104.2 | 108.8 | 30 | 0 | 0 | 0 | 0 | 109.2 | Q1239 | T1237-Q1239 PolarHBondContact O-N 2.55Š| |||
| 1238 | S | 23.2 | Very low | 28.8 | Very low | 131 Ų | 131 | 127.6 Ų | 127.6 | 92% | 0.916 | 75% | 0.754 | S | S | * | * | trans | -80.9 | 80 | 177 | 55.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 1239 | Q | 25.2 | Very low | 30.7 | Very low | 176 Ų | 176 | 120.7 Ų | 120.7 | 82% | 0.822 | 73% | 0.729 | S | S | * | * | trans | -108.3 | 146.9 | 161.4 | -71.4 | -171.9 | -5.5 | 0 | 0 | 109.9 | T1237 G1241 | T1237-Q1239 PolarHBondContact O-N 2.55Å; Q1239-G1241 PolarHBondContact O-N 2.83Å | ||
| 1240 | S | 26.2 | Very low | 33.5 | Very low | 132 Ų | 132 | 118 Ų | 118 | 92% | 0.923 | 71% | 0.708 | S | S | * | * | trans | -69.7 | 89.4 | -162.7 | 50.6 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1241 | G | 28.3 | Very low | 36.5 | Very low | 69 Ų | 69 | 113.5 Ų | 113.5 | 71% | 0.711 | 67% | 0.671 | S | S | * | * | trans | -100.2 | -9.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | Q1239 | Q1239-G1241 PolarHBondContact O-N 2.83Š| ||
| 1242 | Y | 22.8 | Very low | 39.7 | Very low | 228 Ų | 228 | 109 Ų | 109 | 89% | 0.894 | 64% | 0.639 | S | S | * | * | trans | -106.6 | 99.2 | -173.4 | -67.9 | -82.9 | 0 | 0 | 0 | 112.8 | ||||
| 1243 | Q | 26.5 | Very low | 43 | Very low | 194 Ų | 194 | 105.2 Ų | 105.2 | 91% | 0.907 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -175.2 | -4.3 | 145.3 | -109.9 | 167.3 | 47.7 | 0 | 0 | 118.9 | L1245 | Q1243-L1245 PolarHBondContact O-N 3.2Š|
| 1244 | A | 30.9 | Very low | 46.1 | Very low | 68 Ų | 68 | 100.6 Ų | 100.6 | 56% | 0.562 | 58% | 0.58 | S | S | * | * | G | 310 helix | trans | -66.6 | -40.8 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | H1211 N1246 | H1211-A1244 PolarHBondContact CE1-O 2.86Å; H1211-A1244 VanDerWaalsContact NE2-C 3.3Å; H1211-A1244 WeakPolarHBondContact NE2-CB 3.42Å; H1211-A1244 PolarHBondContact NE2-O 3.15Å; A1244-N1246 VanDerWaalsContact C-N 3.32Å; A1244-N1246 PolarHBondContact O-N 2.78Å |
| 1245 | L | 28 | Very low | 49.1 | Very low | 73 Ų | 73 | 94.2 Ų | 94.2 | 38% | 0.382 | 54% | 0.54 | S | S | . | . | G | 310 helix | trans | -71.6 | 0.7 | -156.8 | -92.8 | 166.7 | 0 | 0 | 0 | 119.6 | D1214 M1215 Q1243 | D1214-L1245 HydrophobicContact CB-CD1 4.17Å; D1214-L1245 HydrophobicContact CB-CD2 3.65Å; D1214-L1245 HydrophobicContact CB-CG 4.22Å; M1215-L1245 HydrophobicContact CG-CD2 4.03Å; Q1243-L1245 PolarHBondContact O-N 3.2Å |
| 1246 | N | 34.6 | Very low | 52.5 | Low | 166 Ų | 166 | 89.9 Ų | 89.9 | 89% | 0.888 | 51% | 0.509 | S | S | * | . | G | 310 helix | trans | -110.7 | 8.5 | -174.2 | -77.7 | -28.5 | 0 | 0 | 0 | 115.3 | A1244 | A1244-N1246 VanDerWaalsContact C-N 3.32Å; A1244-N1246 PolarHBondContact O-N 2.78Å |
| 1247 | G | 51.7 | Low | 55.9 | Low | 46 Ų | 46 | 83.3 Ų | 83.3 | 47% | 0.474 | 48% | 0.479 | S | S | . | . | P | Polyproline II helix | trans | -84 | 122.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 1248 | I | 60.4 | Low | 58.9 | Low | 49 Ų | 49 | 78.1 Ų | 78.1 | 25% | 0.251 | 45% | 0.446 | S | S | . | . | P | Polyproline II helix | trans | -60.1 | 126 | 163.6 | -62.7 | 175.2 | 0 | 0 | 0 | 107.9 | R1098 G1180 L1182 R1250 | R1098-I1248 VanDerWaalsContact NH1-CD1 3.35Å; G1180-I1248 VanDerWaalsContact O-CG2 3.31Å; G1180-I1248 WeakPolarHBondContact O-CG2 3.42Å; L1182-I1248 HydrophobicContact CD2-CG1 4.19Å; L1182-I1248 HydrophobicContact CG-CG1 4.42Å; I1248-R1250 PolarHBondContact O-N 3.26Å |
| 1249 | P | 63.7 | Low | 62.3 | Low | 51 Ų | 51 | 71.9 Ų | 71.9 | 33% | 0.331 | 40% | 0.402 | S | S | . | . | P | Polyproline II helix | trans | -60.1 | 130.2 | -176.3 | 21.7 | -32 | 0 | 0 | 0 | 111.2 | ||
| 1250 | R | 83.1 | Confident | 65.7 | Low | 91 Ų | 91 | 63.5 Ų | 63.5 | 34% | 0.343 | 36% | 0.363 | S | S | . | . | B | Isolated β-bridge | trans | -84.4 | 127.3 | 175.5 | -61.1 | -171.4 | -166.2 | 173 | 6 | 109.3 | G127 N1178 I1248 | G127-R1250 PolarHBondContact O-NE 3.48Å; G127-R1250 PolarHBondContact O-NH1 3.02Å; G127-R1250 PolarHBondContact O-NH2 3.08Å; N1178-R1250 CarbonylContact O-C 3.48Å; N1178-R1250 WeakPolarHBondContact O-CA 3.34Å; I1248-R1250 PolarHBondContact O-N 3.26Å |
| 1251 | Y | 88.7 | Confident | 69 | Low | 2 Ų | 2 | 57.3 Ų | 57.3 | 1% | 0.008 | 32% | 0.32 | C | S | . | . | P | Polyproline II helix | trans | -60.4 | 145 | -178.1 | -68.9 | -8.4 | 0 | 0 | 0 | 112.3 | R146 Y182 G1099 Y1129 N1178 G1180 H1255 Y1256 | R146-Y1251 PolarHBondContact NE-O 3.46Å; R146-Y1251 PolarHBondContact NH2-O 3.38Å; Y182-Y1251 WeakPolarHBondContact CE2-O 3.29Å; G1099-Y1251 WeakPolarHBondContact CA-OH 3.42Å; Y1129-Y1251 WeakPolarHBondContact CA-OH 3.45Å; Y1129-Y1251 WeakPolarHBondContact CB-OH 3.39Å; Y1129-Y1251 HydrophobicContact CD1-CD1 4.46Å; Y1129-Y1251 AromaticContact CD1-CE1 3.6Å; Y1129-Y1251 HydrophobicContact CD1-CE1 3.6Å; Y1129-Y1251 HydrophobicContact CE1-CE1 4.3Å; Y1129-Y1251 HydrophobicContact CG-CE1 4.11Å; Y1129-Y1251 PolarHBondContact O-OH 3.31Å; N1178-Y1251 PolarHBondContact O-N 3.37Å; G1180-Y1251 VanDerWaalsContact CA-CZ 3.43Å; G1180-Y1251 WeakPolarHBondContact CA-OH 3.49Å; G1180-Y1251 PolarHBondContact N-OH 3.31Å; Y1251-H1255 HydrophobicContact CD1-CB 3.96Å; Y1251-H1255 AromaticContact CD1-CD2 3.41Å; Y1251-H1255 VanDerWaalsContact CD1-CD2 3.41Å; Y1251-H1255 WeakPolarHBondContact CD1-CD2 3.46Å; Y1251-H1255 AromaticContact CD1-CG 3.91Å; Y1251-H1255 AromaticContact CE1-CD2 3.95Å; Y1251-H1255 HydrophobicContact CG-CB 4.04Å; Y1251-Y1256 HydrophobicContact CD2-CD1 4.41Å; Y1251-Y1256 AromaticContact CD2-CE1 3.69Å; Y1251-Y1256 HydrophobicContact CD2-CE1 3.69Å; Y1251-Y1256 HydrophobicContact CG-CE1 4.37Å |
| 1252 | T | 90.9 | Very high | 72.1 | Confident | 45 Ų | 45 | 54.1 Ų | 54.1 | 28% | 0.276 | 29% | 0.287 | S | S | . | . | trans | -126 | 170.7 | 173.6 | 70 | 0 | 0 | 0 | 0 | 108.3 | A1254 H1255 Y1256 | T1252-A1254 PolarHBondContact O-N 3.41Å; T1252-A1254 VanDerWaalsContact O-N 3.15Å; T1252-H1255 PolarHBondContact N-ND1 2.96Å; T1252-H1255 VanDerWaalsContact N-ND1 3.15Å; T1252-H1255 WeakPolarHBondContact O-CB 3.4Å; T1252-H1255 PolarHBondContact O-N 3.36Å; T1252-H1255 PolarHBondContact OG1-CE1 2.99Å; T1252-H1255 PolarHBondContact OG1-ND1 3.48Å; T1252-Y1256 WeakPolarHBondContact O-CD2 3.21Å | ||
| 1253 | P | 92.8 | Very high | 75.7 | Confident | 31 Ų | 31 | 43.3 Ų | 43.3 | 20% | 0.201 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -43.8 | -47.4 | 174.5 | -34.4 | 40.3 | 0 | 0 | 0 | 113.7 | Y182 H371 H1255 Y1256 E1257 | Y182-P1253 HydrophobicContact CD1-CG 3.85Å; Y182-P1253 HydrophobicContact CD2-CG 4.39Å; Y182-P1253 HydrophobicContact CE1-CG 4.35Å; Y182-P1253 HydrophobicContact CG-CG 3.88Å; H371-P1253 HydrophobicContact CB-CB 4.47Å; P1253-H1255 VanDerWaalsContact C-N 3.25Å; P1253-H1255 PolarHBondContact O-N 3.39Å; P1253-H1255 VanDerWaalsContact O-N 3.13Å; P1253-Y1256 WeakPolarHBondContact O-CB 3.23Å; P1253-Y1256 PolarHBondContact O-N 3.43Å; P1253-E1257 WeakPolarHBondContact O-CG 3.16Å; P1253-E1257 PolarHBondContact O-N 3.48Å |
| 1254 | A | 88.8 | Confident | 79.1 | Confident | 13 Ų | 13 | 34 Ų | 34 | 11% | 0.107 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -54 | -31.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | F1207 T1252 D1258 | F1207-A1254 HydrophobicContact CB-CB 4.24Å; F1207-A1254 HydrophobicContact CD1-CB 3.26Å; F1207-A1254 HydrophobicContact CE1-CB 3.58Å; F1207-A1254 HydrophobicContact CG-CB 3.79Å; F1207-A1254 HydrophobicContact CZ-CB 4.37Å; T1252-A1254 PolarHBondContact O-N 3.41Å; T1252-A1254 VanDerWaalsContact O-N 3.15Å; A1254-D1258 WeakPolarHBondContact O-CB 3.44Å; A1254-D1258 PolarHBondContact O-N 3.31Å |
| 1255 | H | 90.5 | Very high | 82 | Confident | 16 Ų | 16 | 31 Ų | 31 | 7% | 0.074 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -73.2 | -38.9 | 178 | -64.5 | 66 | 0 | 0 | 0 | 111 | Y1129 Y1251 T1252 P1253 D1258 V1259 | Y1129-H1255 AromaticContact CD1-CD2 3.91Å; Y1129-H1255 HydrophobicContact CD2-CB 4.15Å; Y1129-H1255 AromaticContact CE1-CD2 3.33Å; Y1129-H1255 WeakPolarHBondContact CE1-CD2 3.05Å; Y1129-H1255 HydrophobicContact CE2-CB 4.09Å; Y1129-H1255 AromaticContact CE2-CD2 3.93Å; Y1129-H1255 HydrophobicContact CG-CB 4.47Å; Y1129-H1255 AromaticContact CZ-CD2 3.33Å; Y1129-H1255 AromaticContact CZ-CG 3.95Å; Y1251-H1255 HydrophobicContact CD1-CB 3.96Å; Y1251-H1255 AromaticContact CD1-CD2 3.41Å; Y1251-H1255 VanDerWaalsContact CD1-CD2 3.41Å; Y1251-H1255 WeakPolarHBondContact CD1-CD2 3.46Å; Y1251-H1255 AromaticContact CD1-CG 3.91Å; Y1251-H1255 AromaticContact CE1-CD2 3.95Å; Y1251-H1255 HydrophobicContact CG-CB 4.04Å; T1252-H1255 PolarHBondContact N-ND1 2.96Å; T1252-H1255 VanDerWaalsContact N-ND1 3.15Å; T1252-H1255 WeakPolarHBondContact O-CB 3.4Å; T1252-H1255 PolarHBondContact O-N 3.36Å; T1252-H1255 PolarHBondContact OG1-CE1 2.99Å; T1252-H1255 PolarHBondContact OG1-ND1 3.48Å; P1253-H1255 VanDerWaalsContact C-N 3.25Å; P1253-H1255 PolarHBondContact O-N 3.39Å; P1253-H1255 VanDerWaalsContact O-N 3.13Å; H1255-D1258 WeakPolarHBondContact O-CB 3.5Å; H1255-D1258 PolarHBondContact O-N 3.22Å; H1255-V1259 PolarHBondContact O-N 3.04Å |
| 1256 | Y | 94.5 | Very high | 85.2 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -71.3 | -39.9 | 174 | -54.1 | -59.4 | 0 | 0 | 0 | 111.1 | P368 H371 V372 C1175 N1176 Y1177 Y1251 T1252 P1253 D1258 V1259 G1260 | P368-Y1256 HydrophobicContact CB-CD1 3.94Å; P368-Y1256 HydrophobicContact CB-CD2 4.44Å; P368-Y1256 HydrophobicContact CB-CE1 3.74Å; P368-Y1256 HydrophobicContact CB-CE2 4.28Å; P368-Y1256 HydrophobicContact CB-CG 4.29Å; P368-Y1256 HydrophobicContact CG-CE1 4.18Å; P368-Y1256 HydrophobicContact CG-CE2 4.4Å; H371-Y1256 HydrophobicContact CB-CD2 3.8Å; H371-Y1256 HydrophobicContact CB-CG 4.1Å; V372-Y1256 WeakPolarHBondContact CA-O 3.23Å; C1175-Y1256 HydrophobicContact CB-CD1 4.03Å; C1175-Y1256 HydrophobicContact CB-CE1 4.14Å; N1176-Y1256 WeakPolarHBondContact O-CE1 3.35Å; N1176-Y1256 PolarHBondContact O-OH 3.43Å; Y1177-Y1256 VanDerWaalsContact C-OH 3.3Å; Y1177-Y1256 WeakPolarHBondContact CA-OH 3.38Å; Y1177-Y1256 PolarHBondContact O-OH 3.47Å; Y1251-Y1256 HydrophobicContact CD2-CD1 4.41Å; Y1251-Y1256 AromaticContact CD2-CE1 3.69Å; Y1251-Y1256 HydrophobicContact CD2-CE1 3.69Å; Y1251-Y1256 HydrophobicContact CG-CE1 4.37Å; T1252-Y1256 WeakPolarHBondContact O-CD2 3.21Å; P1253-Y1256 WeakPolarHBondContact O-CB 3.23Å; P1253-Y1256 PolarHBondContact O-N 3.43Å; Y1256-D1258 PolarHBondContact O-N 3.22Å; Y1256-V1259 PolarHBondContact O-N 2.87Å; Y1256-V1259 VanDerWaalsContact O-N 3.15Å; Y1256-G1260 PolarHBondContact O-N 3.09Å |
| 1257 | E | 96 | Very high | 88.2 | Confident | 34 Ų | 34 | 19.7 Ų | 19.7 | 16% | 0.159 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -57 | -39 | 174.1 | -70.9 | 164.4 | -153.4 | 0 | 0 | 111.2 | H371 G375 P1253 G1260 R1261 | H371-E1257 WeakPolarHBondContact O-CA 3.49Å; H371-E1257 WeakPolarHBondContact O-CG 3.31Å; G375-E1257 WeakPolarHBondContact CA-O 3.45Å; P1253-E1257 WeakPolarHBondContact O-CG 3.16Å; P1253-E1257 PolarHBondContact O-N 3.48Å; E1257-G1260 WeakPolarHBondContact O-CA 3.46Å; E1257-G1260 PolarHBondContact O-N 2.75Å; E1257-G1260 VanDerWaalsContact O-N 3.15Å; E1257-R1261 WeakPolarHBondContact O-CG 3.44Å; E1257-R1261 PolarHBondContact O-N 3.47Å |
| 1258 | D | 90.7 | Very high | 90.2 | Very high | 25 Ų | 25 | 17.5 Ų | 17.5 | 13% | 0.134 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -62.3 | -42.8 | 175.7 | -166 | -109.3 | 0 | 0 | 0 | 113.6 | S1127 Y1129 A1254 H1255 Y1256 G1260 R1261 A1262 | S1127-D1258 WeakPolarHBondContact CB-OD1 3.33Å; S1127-D1258 PolarHBondContact OG-OD1 3.07Å; Y1129-D1258 HydrophobicContact CD2-CB 3.92Å; Y1129-D1258 HydrophobicContact CE2-CB 3.95Å; A1254-D1258 WeakPolarHBondContact O-CB 3.44Å; A1254-D1258 PolarHBondContact O-N 3.31Å; H1255-D1258 WeakPolarHBondContact O-CB 3.5Å; H1255-D1258 PolarHBondContact O-N 3.22Å; Y1256-D1258 PolarHBondContact O-N 3.22Å; D1258-G1260 VanDerWaalsContact C-N 3.26Å; D1258-G1260 PolarHBondContact O-N 2.7Å; D1258-R1261 VanDerWaalsContact CB-NH2 3.31Å; D1258-R1261 PolarHBondContact O-N 2.94Å; D1258-R1261 IonicContact OD2-CZ 2.85Å; D1258-R1261 IonicContact OD2-NE 3.84Å; D1258-R1261 IonicContact OD2-NH2 2.68Å; D1258-R1261 PolarHBondContact OD2-NH2 3.23Å; D1258-A1262 WeakPolarHBondContact O-CB 3.25Å; D1258-A1262 PolarHBondContact O-N 2.89Å |
| 1259 | V | 93.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -61.9 | -37.8 | 172.4 | 177.3 | 0 | 0 | 0 | 0 | 110.7 | C1100 F1130 H1255 Y1256 A1262 L1263 | C1100-V1259 HydrophobicContact CB-CG1 4.13Å; C1100-V1259 HydrophobicContact CB-CG2 3.94Å; F1130-V1259 HydrophobicContact CD2-CG1 4.41Å; H1255-V1259 PolarHBondContact O-N 3.04Å; Y1256-V1259 PolarHBondContact O-N 2.87Å; Y1256-V1259 VanDerWaalsContact O-N 3.15Å; V1259-A1262 PolarHBondContact O-N 3.11Å; V1259-L1263 WeakPolarHBondContact O-CG 3.24Å; V1259-L1263 PolarHBondContact O-N 2.74Å |
| 1260 | G | 97.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -57.9 | -48.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | V372 L376 Y1256 E1257 D1258 L1263 | V372-G1260 WeakPolarHBondContact O-CA 3.22Å; L376-G1260 WeakPolarHBondContact CB-O 3.47Å; Y1256-G1260 PolarHBondContact O-N 3.09Å; E1257-G1260 WeakPolarHBondContact O-CA 3.46Å; E1257-G1260 PolarHBondContact O-N 2.75Å; E1257-G1260 VanDerWaalsContact O-N 3.15Å; D1258-G1260 VanDerWaalsContact C-N 3.26Å; D1258-G1260 PolarHBondContact O-N 2.7Å; G1260-L1263 PolarHBondContact O-N 3.09Å |
| 1261 | R | 95.4 | Very high | 93.6 | Very high | 3 Ų | 3 | 12.3 Ų | 12.3 | 1% | 0.011 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -62.2 | -43.7 | 175.2 | -64.3 | -170.9 | -66.8 | -91.5 | -4.3 | 112.2 | G375 F379 E1257 D1258 L1263 M1264 I1265 | G375-R1261 WeakPolarHBondContact O-CG 3.27Å; F379-R1261 HydrophobicContact CB-CG 3.82Å; F379-R1261 HydrophobicContact CD2-CG 4.47Å; F379-R1261 HydrophobicContact CG-CG 4.15Å; E1257-R1261 WeakPolarHBondContact O-CG 3.44Å; E1257-R1261 PolarHBondContact O-N 3.47Å; D1258-R1261 VanDerWaalsContact CB-NH2 3.31Å; D1258-R1261 PolarHBondContact O-N 2.94Å; D1258-R1261 IonicContact OD2-CZ 2.85Å; D1258-R1261 IonicContact OD2-NE 3.84Å; D1258-R1261 IonicContact OD2-NH2 2.68Å; D1258-R1261 PolarHBondContact OD2-NH2 3.23Å; R1261-L1263 VanDerWaalsContact C-N 3.33Å; R1261-L1263 PolarHBondContact O-N 2.89Å; R1261-M1264 PolarHBondContact O-N 2.67Å; R1261-I1265 WeakPolarHBondContact O-CG1 3.29Å; R1261-I1265 PolarHBondContact O-N 2.96Å |
| 1262 | A | 93.7 | Very high | 93.8 | Very high | 2 Ų | 2 | 16.1 Ų | 16.1 | 2% | 0.017 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -64.9 | -33.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | V1123 N1126 D1258 V1259 M1264 A1266 | V1123-A1262 HydrophobicContact CG1-CB 4.22Å; N1126-A1262 HydrophobicContact CB-CB 3.62Å; D1258-A1262 WeakPolarHBondContact O-CB 3.25Å; D1258-A1262 PolarHBondContact O-N 2.89Å; V1259-A1262 PolarHBondContact O-N 3.11Å; A1262-M1264 VanDerWaalsContact C-N 3.31Å; A1262-M1264 PolarHBondContact O-N 3.08Å; A1262-A1266 VanDerWaalsContact O-CB 3.22Å; A1262-A1266 WeakPolarHBondContact O-CB 3.37Å; A1262-A1266 PolarHBondContact O-N 3.16Å |
| 1263 | L | 97.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -58 | -44.8 | 169 | -70.4 | 165.6 | 0 | 0 | 0 | 111.1 | V372 F1089 L1091 Y1119 V1123 V1173 V1259 G1260 R1261 I1267 | V372-L1263 HydrophobicContact CG1-CD1 4.04Å; F1089-L1263 HydrophobicContact CD1-CD2 4.31Å; F1089-L1263 HydrophobicContact CE1-CD2 4.07Å; L1091-L1263 HydrophobicContact CD2-CD1 4.34Å; Y1119-L1263 HydrophobicContact CE1-CD2 4.36Å; Y1119-L1263 PolarHBondContact OH-O 2.79Å; V1123-L1263 HydrophobicContact CG1-CD2 4.14Å; V1123-L1263 HydrophobicContact CG1-CG 4.45Å; V1123-L1263 HydrophobicContact CG2-CD2 3.91Å; V1173-L1263 HydrophobicContact CG1-CD1 4.46Å; V1173-L1263 HydrophobicContact CG2-CD1 4.19Å; V1173-L1263 HydrophobicContact CG2-CD2 4.14Å; V1259-L1263 WeakPolarHBondContact O-CG 3.24Å; V1259-L1263 PolarHBondContact O-N 2.74Å; G1260-L1263 PolarHBondContact O-N 3.09Å; R1261-L1263 VanDerWaalsContact C-N 3.33Å; R1261-L1263 PolarHBondContact O-N 2.89Å; L1263-I1267 PolarHBondContact O-N 2.85Å |
| 1264 | M | 97.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -71.4 | -41 | -178.8 | -59.6 | -62.2 | 92.3 | 0 | 0 | 112.4 | L376 F379 L380 L391 F397 F1089 R1261 A1262 A1266 I1267 | L376-M1264 HydrophobicContact CB-CG 3.69Å; L376-M1264 HydrophobicContact CB-SD 4.24Å; F379-M1264 HydrophobicContact CD1-CB 3.74Å; F379-M1264 HydrophobicContact CD1-CG 4.23Å; F379-M1264 HydrophobicContact CE1-CB 3.7Å; L380-M1264 HydrophobicContact CD1-SD 4.08Å; L380-M1264 HydrophobicContact CD2-SD 4.3Å; L380-M1264 HydrophobicContact CG-CG 4.46Å; L380-M1264 HydrophobicContact CG-SD 4.36Å; L391-M1264 HydrophobicContact CD1-CB 3.77Å; L391-M1264 WeakPolarHBondContact CD2-O 3.33Å; F397-M1264 HydrophobicContact CD1-SD 4.14Å; F397-M1264 HydrophobicContact CE1-SD 3.66Å; F1089-M1264 HydrophobicContact CE2-CE 4.28Å; R1261-M1264 PolarHBondContact O-N 2.67Å; A1262-M1264 VanDerWaalsContact C-N 3.31Å; A1262-M1264 PolarHBondContact O-N 3.08Å; M1264-A1266 VanDerWaalsContact C-N 3.34Å; M1264-A1266 PolarHBondContact O-N 3.14Å; M1264-I1267 HydrophobicContact CE-CD1 3.87Å; M1264-I1267 WeakPolarHBondContact O-CB 3.49Å; M1264-I1267 PolarHBondContact O-N 2.99Å; M1264-I1267 HydrophobicContact SD-CD1 4.49Å |
| 1265 | I | 93.3 | Very high | 93.6 | Very high | 5 Ų | 5 | 13.5 Ų | 13.5 | 3% | 0.026 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -66.1 | -37.6 | 177.2 | -60.2 | 165.5 | 0 | 0 | 0 | 111 | F379 N1126 R1261 I1267 L1268 D1269 | F379-I1265 HydrophobicContact CE1-CG1 3.96Å; F379-I1265 HydrophobicContact CE2-CG1 4.48Å; F379-I1265 HydrophobicContact CZ-CD1 4.18Å; F379-I1265 HydrophobicContact CZ-CG1 3.65Å; N1126-I1265 WeakPolarHBondContact OD1-CG2 3.42Å; R1261-I1265 WeakPolarHBondContact O-CG1 3.29Å; R1261-I1265 PolarHBondContact O-N 2.96Å; I1265-I1267 PolarHBondContact O-N 3.25Å; I1265-L1268 WeakPolarHBondContact O-CB 2.9Å; I1265-L1268 PolarHBondContact O-N 2.82Å; I1265-D1269 PolarHBondContact O-N 3.3Å; I1265-D1269 VanDerWaalsContact O-N 3.1Å |
| 1266 | A | 94.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -61.2 | -27 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y1119 L1122 V1123 A1262 M1264 F1270 | Y1119-A1266 HydrophobicContact CD2-CB 4.43Å; Y1119-A1266 HydrophobicContact CE2-CB 3.85Å; L1122-A1266 HydrophobicContact CB-CB 3.95Å; V1123-A1266 HydrophobicContact CB-CB 4.44Å; V1123-A1266 HydrophobicContact CG2-CB 3.69Å; A1262-A1266 VanDerWaalsContact O-CB 3.22Å; A1262-A1266 WeakPolarHBondContact O-CB 3.37Å; A1262-A1266 PolarHBondContact O-N 3.16Å; M1264-A1266 VanDerWaalsContact C-N 3.34Å; M1264-A1266 PolarHBondContact O-N 3.14Å; A1266-F1270 WeakPolarHBondContact O-CB 2.87Å; A1266-F1270 PolarHBondContact O-N 2.82Å |
| 1267 | I | 97.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -66.1 | -40 | 172.2 | -63.9 | 171.8 | 0 | 0 | 0 | 110.6 | V356 L391 Y395 F1087 F1089 Y1119 L1263 M1264 I1265 N1271 | V356-I1267 HydrophobicContact CG1-CD1 4.28Å; V356-I1267 HydrophobicContact CG2-CD1 4.22Å; L391-I1267 HydrophobicContact CD2-CB 4.17Å; L391-I1267 HydrophobicContact CD2-CG2 4.17Å; Y395-I1267 HydrophobicContact CD2-CG2 4.21Å; Y395-I1267 HydrophobicContact CE1-CG2 4.41Å; Y395-I1267 HydrophobicContact CE2-CG2 3.53Å; F1087-I1267 HydrophobicContact CD2-CD1 4.22Å; F1087-I1267 HydrophobicContact CD2-CG1 4.27Å; F1087-I1267 HydrophobicContact CD2-CG2 4.46Å; F1087-I1267 HydrophobicContact CE1-CG1 4.38Å; F1087-I1267 HydrophobicContact CE2-CG1 4.09Å; F1087-I1267 HydrophobicContact CE2-CG2 3.95Å; F1087-I1267 HydrophobicContact CG-CD1 4.37Å; F1087-I1267 HydrophobicContact CZ-CG1 4.16Å; F1089-I1267 HydrophobicContact CE2-CD1 4.21Å; F1089-I1267 HydrophobicContact CZ-CD1 4.44Å; Y1119-I1267 HydrophobicContact CE2-CG1 3.83Å; L1263-I1267 PolarHBondContact O-N 2.85Å; M1264-I1267 HydrophobicContact CE-CD1 3.87Å; M1264-I1267 WeakPolarHBondContact O-CB 3.49Å; M1264-I1267 PolarHBondContact O-N 2.99Å; M1264-I1267 HydrophobicContact SD-CD1 4.49Å; I1265-I1267 PolarHBondContact O-N 3.25Å; I1267-N1271 PolarHBondContact O-N 2.8Å; I1267-N1271 PolarHBondContact O-ND2 3.47Å |
| 1268 | L | 94.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -67.9 | -45.1 | 177.1 | -64.2 | 173.9 | 0 | 0 | 0 | 111.9 | R387 E390 L391 I1265 F1270 N1271 Q1272 I1273 N1274 | R387-L1268 HydrophobicContact CB-CD1 3.55Å; R387-L1268 HydrophobicContact CG-CD1 4.11Å; E390-L1268 HydrophobicContact CB-CD2 4.07Å; L391-L1268 HydrophobicContact CD1-CD1 4.32Å; L391-L1268 HydrophobicContact CD1-CG 4.42Å; L391-L1268 HydrophobicContact CD2-CD2 3.87Å; L391-L1268 HydrophobicContact CD2-CG 3.86Å; L391-L1268 HydrophobicContact CG-CD1 4.02Å; L391-L1268 HydrophobicContact CG-CD2 3.77Å; L391-L1268 HydrophobicContact CG-CG 3.78Å; I1265-L1268 WeakPolarHBondContact O-CB 2.9Å; I1265-L1268 PolarHBondContact O-N 2.82Å; L1268-F1270 VanDerWaalsContact C-N 3.33Å; L1268-F1270 PolarHBondContact O-N 3.07Å; L1268-N1271 CarbonylContact O-C 3.16Å; L1268-N1271 PolarHBondContact O-N 3Å; L1268-Q1272 PolarHBondContact O-N 2.87Å; L1268-I1273 HydrophobicContact CB-CG1 4.43Å; L1268-I1273 HydrophobicContact CD2-CD1 3.76Å; L1268-I1273 HydrophobicContact CD2-CG1 3.79Å; L1268-I1273 PolarHBondContact O-N 2.99Å; L1268-N1274 HydrophobicContact CB-CB 3.64Å; L1268-N1274 HydrophobicContact CD1-CB 4.48Å |
| 1269 | D | 91.5 | Very high | 90.9 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -61.2 | -42 | 177.9 | -72.3 | -22.7 | 0 | 0 | 0 | 111.7 | L1122 N1126 I1265 N1271 Q1272 N1274 L1282 | L1122-D1269 HydrophobicContact CD1-CB 4.16Å; L1122-D1269 HydrophobicContact CD2-CB 4.13Å; N1126-D1269 PolarHBondContact ND2-OD2 2.93Å; I1265-D1269 PolarHBondContact O-N 3.3Å; I1265-D1269 VanDerWaalsContact O-N 3.1Å; D1269-N1271 VanDerWaalsContact C-N 3.26Å; D1269-N1271 PolarHBondContact O-N 2.93Å; D1269-Q1272 PolarHBondContact O-N 2.95Å; D1269-N1274 WeakPolarHBondContact OD1-CB 3.41Å; D1269-N1274 PolarHBondContact OD1-ND2 3.34Å; D1269-L1282 HydrophobicContact CB-CB 4.23Å; D1269-L1282 HydrophobicContact CB-CD1 4.09Å |
| 1270 | F | 94.3 | Very high | 89.7 | Confident | 18 Ų | 18 | 14.3 Ų | 14.3 | 8% | 0.079 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -62 | -35.7 | 180 | -178.8 | -91.6 | 0 | 0 | 0 | 112.2 | F1087 D1115 L1118 L1122 H1169 A1266 L1268 | F1087-F1270 HydrophobicContact CZ-CD1 4.38Å; D1115-F1270 HydrophobicContact CB-CE2 3.95Å; D1115-F1270 HydrophobicContact CB-CZ 3.84Å; L1118-F1270 HydrophobicContact CD2-CD2 4.14Å; L1118-F1270 HydrophobicContact CD2-CE2 4.03Å; L1118-F1270 HydrophobicContact CG-CD2 4.29Å; L1118-F1270 HydrophobicContact CG-CE2 4.41Å; L1122-F1270 HydrophobicContact CD1-CB 3.75Å; L1122-F1270 HydrophobicContact CD1-CD2 4.15Å; L1122-F1270 HydrophobicContact CD1-CG 4.47Å; H1169-F1270 AromaticContact CE1-CE2 3.82Å; H1169-F1270 AromaticContact CE1-CZ 3.53Å; H1169-F1270 AromaticContact NE2-CE1 3.68Å; H1169-F1270 AromaticContact NE2-CZ 3.4Å; H1169-F1270 WeakPolarHBondContact NE2-CZ 3.12Å; A1266-F1270 WeakPolarHBondContact O-CB 2.87Å; A1266-F1270 PolarHBondContact O-N 2.82Å; L1268-F1270 VanDerWaalsContact C-N 3.33Å; L1268-F1270 PolarHBondContact O-N 3.07Å |
| 1271 | N | 92.1 | Very high | 88.7 | Confident | 65 Ų | 65 | 15.6 Ų | 15.6 | 35% | 0.348 | 9% | 0.09 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | 2.9 | -179.3 | -66.4 | -80.9 | 0 | 0 | 0 | 113.5 | Y395 I1267 L1268 D1269 I1273 | Y395-N1271 PolarHBondContact OH-ND2 3.31Å; I1267-N1271 PolarHBondContact O-N 2.8Å; I1267-N1271 PolarHBondContact O-ND2 3.47Å; L1268-N1271 CarbonylContact O-C 3.16Å; L1268-N1271 PolarHBondContact O-N 3Å; D1269-N1271 VanDerWaalsContact C-N 3.26Å; D1269-N1271 PolarHBondContact O-N 2.93Å; N1271-I1273 VanDerWaalsContact C-N 3.34Å; N1271-I1273 HydrophobicContact CB-CD1 4.27Å; N1271-I1273 HydrophobicContact CB-CG1 3.94Å; N1271-I1273 PolarHBondContact O-N 3.37Å |
| 1272 | Q | 92.6 | Very high | 87.9 | Confident | 81 Ų | 81 | 15.5 Ų | 15.5 | 38% | 0.379 | 9% | 0.09 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54 | 44.2 | -176.3 | -59.9 | 173.3 | 105.8 | 0 | 0 | 114.1 | L1268 D1269 L1282 G1284 I1306 | L1268-Q1272 PolarHBondContact O-N 2.87Å; D1269-Q1272 PolarHBondContact O-N 2.95Å; Q1272-L1282 WeakPolarHBondContact CA-O 3.39Å; Q1272-G1284 WeakPolarHBondContact O-CA 3.16Å; Q1272-I1306 VanDerWaalsContact CD-CG2 3.42Å; Q1272-I1306 HydrophobicContact CG-CB 4.23Å; Q1272-I1306 HydrophobicContact CG-CG2 4.12Å; Q1272-I1306 VanDerWaalsContact OE1-CG2 3.25Å |
| 1273 | I | 91.1 | Very high | 87 | Confident | 27 Ų | 27 | 15.4 Ų | 15.4 | 14% | 0.138 | 9% | 0.089 | C | C | . | . | trans | -127.9 | 23.5 | 178.2 | 55.2 | 163.8 | 0 | 0 | 0 | 112.1 | H394 Y395 L1268 N1271 P1275 T1286 | H394-I1273 HydrophobicContact CB-CD1 4.18Å; Y395-I1273 HydrophobicContact CE2-CD1 4.47Å; L1268-I1273 HydrophobicContact CB-CG1 4.43Å; L1268-I1273 HydrophobicContact CD2-CD1 3.76Å; L1268-I1273 HydrophobicContact CD2-CG1 3.79Å; L1268-I1273 PolarHBondContact O-N 2.99Å; N1271-I1273 VanDerWaalsContact C-N 3.34Å; N1271-I1273 HydrophobicContact CB-CD1 4.27Å; N1271-I1273 HydrophobicContact CB-CG1 3.94Å; N1271-I1273 PolarHBondContact O-N 3.37Å; I1273-P1275 VanDerWaalsContact O-CD 3.3Å; I1273-P1275 WeakPolarHBondContact O-CD 3.14Å; I1273-T1286 VanDerWaalsContact CA-OG1 3.25Å; I1273-T1286 WeakPolarHBondContact CA-OG1 3.4Å; I1273-T1286 PolarHBondContact O-OG1 2.6Å | ||
| 1274 | N | 90.1 | Very high | 86.2 | Confident | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 11% | 0.11 | C | C | . | . | trans | -82.2 | 114.8 | 176.7 | -170.1 | -7.9 | 0 | 0 | 0 | 110.2 | R387 L1268 D1269 W1276 P1277 G1283 | R387-N1274 WeakPolarHBondContact CG-OD1 3.45Å; L1268-N1274 HydrophobicContact CB-CB 3.64Å; L1268-N1274 HydrophobicContact CD1-CB 4.48Å; D1269-N1274 WeakPolarHBondContact OD1-CB 3.41Å; D1269-N1274 PolarHBondContact OD1-ND2 3.34Å; N1274-W1276 PolarHBondContact ND2-O 3.39Å; N1274-W1276 PolarHBondContact O-N 2.86Å; N1274-W1276 PolarHBondContact OD1-N 3.26Å; N1274-W1276 PolarHBondContact OD1-O 3.27Å; N1274-P1277 HydrophobicContact CB-CB 4.18Å; N1274-P1277 WeakPolarHBondContact ND2-CA 3.44Å; N1274-P1277 WeakPolarHBondContact O-CD 2.93Å; N1274-G1283 WeakPolarHBondContact O-CA 3.18Å | ||
| 1275 | P | 86.8 | Confident | 85.2 | Confident | 7 Ų | 7 | 23.3 Ų | 23.3 | 5% | 0.045 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -67.8 | -26.7 | 177.4 | 27.2 | -33.9 | 0 | 0 | 0 | 112.7 | H386 R387 E390 I1273 T1286 E1288 | H386-P1275 HydrophobicContact CB-CB 4.17Å; H386-P1275 HydrophobicContact CB-CG 3.71Å; R387-P1275 HydrophobicContact CG-CG 3.98Å; E390-P1275 HydrophobicContact CG-CG 4.16Å; I1273-P1275 VanDerWaalsContact O-CD 3.3Å; I1273-P1275 WeakPolarHBondContact O-CD 3.14Å; P1275-T1286 WeakPolarHBondContact CA-O 3.45Å; P1275-E1288 PolarHBondContact O-N 3.04Å |
| 1276 | W | 85.6 | Confident | 84.5 | Confident | 9 Ų | 9 | 25 Ų | 25 | 3% | 0.034 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -128.8 | 76.3 | 178.3 | -54.9 | -37.4 | 0 | 0 | 0 | 111.2 | H386 R387 K1199 C1200 N1274 E1288 V1291 | H386-W1276 HydrophobicContact CB-CD2 4.26Å; H386-W1276 HydrophobicContact CB-CE3 4.28Å; H386-W1276 HydrophobicContact CB-CH2 3.77Å; H386-W1276 HydrophobicContact CB-CZ2 3.73Å; H386-W1276 HydrophobicContact CB-CZ3 4.04Å; H386-W1276 AromaticContact CD2-CH2 3.96Å; H386-W1276 AromaticContact CD2-CZ2 3.96Å; H386-W1276 AromaticContact CE1-CZ2 3.7Å; H386-W1276 AromaticContact CG-CE2 3.92Å; H386-W1276 AromaticContact CG-CH2 3.6Å; H386-W1276 AromaticContact CG-CZ2 3.33Å; H386-W1276 AromaticContact ND1-CE2 3.61Å; H386-W1276 AromaticContact ND1-CH2 3.91Å; H386-W1276 AromaticContact ND1-CZ2 3.15Å; H386-W1276 WeakPolarHBondContact ND1-CZ2 3.13Å; H386-W1276 AromaticContact ND1-NE1 3.87Å; R387-W1276 HydrophobicContact CG-CB 4.39Å; R387-W1276 HydrophobicContact CG-CE3 4.06Å; K1199-W1276 HydrophobicContact CB-CD2 4.17Å; K1199-W1276 HydrophobicContact CB-CH2 4.31Å; K1199-W1276 HydrophobicContact CB-CZ2 3.83Å; K1199-W1276 HydrophobicContact CD-CZ2 4.26Å; K1199-W1276 HydrophobicContact CG-CZ2 4.35Å; K1199-W1276 VanDerWaalsContact O-CZ3 3.23Å; K1199-W1276 WeakPolarHBondContact O-CZ3 3.43Å; C1200-W1276 VanDerWaalsContact SG-CB 3.52Å; N1274-W1276 PolarHBondContact ND2-O 3.39Å; N1274-W1276 PolarHBondContact O-N 2.86Å; N1274-W1276 PolarHBondContact OD1-N 3.26Å; N1274-W1276 PolarHBondContact OD1-O 3.27Å; W1276-E1288 PolarHBondContact NE1-OE1 3.47Å; W1276-V1291 HydrophobicContact CB-CG1 4.05Å |
| 1277 | P | 82.9 | Confident | 83.8 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 18% | 0.177 | C | C | . | . | trans | -82.1 | 143.7 | -178.8 | 36.6 | -37.3 | 0 | 0 | 0 | 111.5 | N1274 V1279 L1282 G1292 | N1274-P1277 HydrophobicContact CB-CB 4.18Å; N1274-P1277 WeakPolarHBondContact ND2-CA 3.44Å; N1274-P1277 WeakPolarHBondContact O-CD 2.93Å; P1277-V1279 WeakPolarHBondContact CB-O 3.2Å; P1277-V1279 PolarHBondContact O-N 3.09Å; P1277-L1282 HydrophobicContact CB-CB 4.09Å; P1277-G1292 WeakPolarHBondContact O-CA 3.33Å | ||
| 1278 | K | 74.1 | Confident | 82.9 | Confident | 33 Ų | 33 | 29.1 Ų | 29.1 | 14% | 0.143 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -67.7 | -12.8 | 170.3 | -70.5 | -176.4 | 171.7 | -174.1 | 0 | 113.6 | V1125 N1126 I1190 | V1125-K1278 HydrophobicContact CG1-CB 4.3Å; V1125-K1278 WeakPolarHBondContact O-CD 3.27Å; N1126-K1278 PolarHBondContact O-NZ 3.15Å; I1190-K1278 HydrophobicContact CG2-CB 4.28Å; I1190-K1278 HydrophobicContact CG2-CD 3.97Å |
| 1279 | V | 72.9 | Confident | 81.8 | Confident | 6 Ų | 6 | 34 Ų | 34 | 4% | 0.036 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -138.4 | 114.5 | 178.3 | -179 | 0 | 0 | 0 | 0 | 107.3 | P1277 G1281 L1282 L1294 W1297 F1303 | P1277-V1279 WeakPolarHBondContact CB-O 3.2Å; P1277-V1279 PolarHBondContact O-N 3.09Å; V1279-G1281 PolarHBondContact O-N 3.32Å; V1279-L1282 HydrophobicContact CB-CD1 3.83Å; V1279-L1282 HydrophobicContact CB-CG 4.04Å; V1279-L1282 HydrophobicContact CG1-CG 4.43Å; V1279-L1282 HydrophobicContact CG2-CD1 4.19Å; V1279-L1282 WeakPolarHBondContact O-CB 3.33Å; V1279-L1282 PolarHBondContact O-N 3.18Å; V1279-L1294 HydrophobicContact CB-CD1 4.12Å; V1279-L1294 HydrophobicContact CG1-CD1 3.97Å; V1279-L1294 HydrophobicContact CG2-CD1 4.08Å; V1279-W1297 HydrophobicContact CG1-CH2 4.34Å; V1279-W1297 HydrophobicContact CG2-CH2 4.04Å; V1279-W1297 HydrophobicContact CG2-CZ2 4.48Å; V1279-F1303 WeakPolarHBondContact CG1-O 3.49Å |
| 1280 | A | 68.7 | Low | 80.7 | Confident | 45 Ų | 45 | 40.3 Ų | 40.3 | 37% | 0.372 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | -49.6 | -38.1 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114 | L1282 G1283 G1292 | A1280-L1282 PolarHBondContact O-N 3.13Å; A1280-G1283 PolarHBondContact O-N 3.06Å; A1280-G1292 WeakPolarHBondContact CB-O 3.13Å; A1280-G1292 PolarHBondContact N-O 3.33Å |
| 1281 | G | 75.6 | Confident | 79.5 | Confident | 26 Ų | 26 | 40.4 Ų | 40.4 | 27% | 0.268 | 26% | 0.257 | S | S | . | . | G | 310 helix | trans | -67.6 | 9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | V1279 | V1279-G1281 PolarHBondContact O-N 3.32Š|
| 1282 | L | 79.8 | Confident | 78.3 | Confident | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -113.6 | -8.4 | 174.4 | -61 | 177.9 | 0 | 0 | 0 | 113.9 | L1122 D1269 Q1272 P1277 V1279 A1280 I1306 L1309 | L1122-L1282 HydrophobicContact CD2-CD1 3.85Å; L1122-L1282 HydrophobicContact CD2-CD2 4.19Å; D1269-L1282 HydrophobicContact CB-CB 4.23Å; D1269-L1282 HydrophobicContact CB-CD1 4.09Å; Q1272-L1282 WeakPolarHBondContact CA-O 3.39Å; P1277-L1282 HydrophobicContact CB-CB 4.09Å; V1279-L1282 HydrophobicContact CB-CD1 3.83Å; V1279-L1282 HydrophobicContact CB-CG 4.04Å; V1279-L1282 HydrophobicContact CG1-CG 4.43Å; V1279-L1282 HydrophobicContact CG2-CD1 4.19Å; V1279-L1282 WeakPolarHBondContact O-CB 3.33Å; V1279-L1282 PolarHBondContact O-N 3.18Å; A1280-L1282 PolarHBondContact O-N 3.13Å; L1282-I1306 HydrophobicContact CD2-CB 4.25Å; L1282-I1306 HydrophobicContact CD2-CD1 3.83Å; L1282-L1309 HydrophobicContact CD2-CD1 3.91Å |
| 1283 | G | 74 | Confident | 76.8 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -89.1 | -11 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | N1274 A1280 T1286 A1287 | N1274-G1283 WeakPolarHBondContact O-CA 3.18Å; A1280-G1283 PolarHBondContact O-N 3.06Å; G1283-T1286 PolarHBondContact O-N 3.26Å; G1283-T1286 PolarHBondContact O-OG1 3.18Å; G1283-A1287 PolarHBondContact O-N 3.03Å |
| 1284 | G | 81.1 | Confident | 75.2 | Confident | 43 Ų | 43 | 39.6 Ų | 39.6 | 44% | 0.443 | 26% | 0.257 | S | S | . | . | G | 310 helix | trans | 53.1 | -135.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q1272 | Q1272-G1284 WeakPolarHBondContact O-CA 3.16Š|
| 1285 | S | 77.2 | Confident | 73.4 | Confident | 123 Ų | 123 | 45.7 Ų | 45.7 | 86% | 0.86 | 29% | 0.294 | S | S | * | . | G | 310 helix | trans | -83.2 | -10.3 | -178.8 | 55.5 | 0 | 0 | 0 | 0 | 114.7 | ||
| 1286 | T | 77.7 | Confident | 71.8 | Confident | 41 Ų | 41 | 51 Ų | 51 | 25% | 0.252 | 32% | 0.322 | S | S | . | . | G | 310 helix | trans | -91.5 | -10.8 | 177.1 | 51.7 | 0 | 0 | 0 | 0 | 113.4 | I1273 P1275 G1283 E1288 | I1273-T1286 VanDerWaalsContact CA-OG1 3.25Å; I1273-T1286 WeakPolarHBondContact CA-OG1 3.4Å; I1273-T1286 PolarHBondContact O-OG1 2.6Å; P1275-T1286 WeakPolarHBondContact CA-O 3.45Å; G1283-T1286 PolarHBondContact O-N 3.26Å; G1283-T1286 PolarHBondContact O-OG1 3.18Å; T1286-E1288 PolarHBondContact O-N 3.22Å |
| 1287 | A | 80 | Confident | 70 | Confident | 37 Ų | 37 | 51.9 Ų | 51.9 | 31% | 0.306 | 33% | 0.325 | S | S | . | . | P | Polyproline II helix | trans | -57.5 | 129.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | G1283 | G1283-A1287 PolarHBondContact O-N 3.03Š|
| 1288 | E | 77.4 | Confident | 68.5 | Low | 49 Ų | 49 | 58 Ų | 58 | 23% | 0.229 | 37% | 0.368 | C | S | . | . | P | Polyproline II helix | trans | -67.8 | 137.8 | 166.5 | -81.1 | -177.6 | -142.3 | 0 | 0 | 110.6 | H386 K1199 P1275 W1276 T1286 N1290 V1291 | H386-E1288 IonicContact CE1-OE1 3.77Å; H386-E1288 PolarHBondContact CE1-OE1 3.38Å; H386-E1288 IonicContact ND1-OE1 2.82Å; H386-E1288 PolarHBondContact ND1-OE1 3.11Å; H386-E1288 VanDerWaalsContact ND1-OE1 3.11Å; K1199-E1288 WeakPolarHBondContact CD-OE2 3.31Å; K1199-E1288 IonicContact NZ-OE2 2.77Å; K1199-E1288 PolarHBondContact NZ-OE2 2.97Å; P1275-E1288 PolarHBondContact O-N 3.04Å; W1276-E1288 PolarHBondContact NE1-OE1 3.47Å; T1286-E1288 PolarHBondContact O-N 3.22Å; E1288-N1290 PolarHBondContact O-N 3.2Å; E1288-V1291 HydrophobicContact CB-CB 4.48Å; E1288-V1291 HydrophobicContact CB-CG2 3.69Å; E1288-V1291 PolarHBondContact O-N 3.27Å |
| 1289 | S | 72.1 | Confident | 67.5 | Low | 103 Ų | 103 | 59.1 Ų | 59.1 | 72% | 0.72 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | 135.3 | 176 | 54.6 | 0 | 0 | 0 | 0 | 110.8 | V1291 | S1289-V1291 VanDerWaalsContact C-N 3.3Å; S1289-V1291 PolarHBondContact O-N 3.42Å |
| 1290 | N | 68.7 | Low | 67.1 | Low | 133 Ų | 133 | 59.5 Ų | 59.5 | 71% | 0.711 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.3 | -1.7 | -177.5 | -47.3 | -42 | 0 | 0 | 0 | 116.8 | E1288 I1293 | E1288-N1290 PolarHBondContact O-N 3.2Å; N1290-I1293 HydrophobicContact CB-CD1 4.36Å |
| 1291 | V | 70 | Confident | 67.2 | Low | 19 Ų | 19 | 61 Ų | 61 | 12% | 0.115 | 39% | 0.388 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | 139.4 | 174.2 | -173.7 | 0 | 0 | 0 | 0 | 110.9 | W1276 E1288 S1289 I1293 | W1276-V1291 HydrophobicContact CB-CG1 4.05Å; E1288-V1291 HydrophobicContact CB-CB 4.48Å; E1288-V1291 HydrophobicContact CB-CG2 3.69Å; E1288-V1291 PolarHBondContact O-N 3.27Å; S1289-V1291 VanDerWaalsContact C-N 3.3Å; S1289-V1291 PolarHBondContact O-N 3.42Å; V1291-I1293 PolarHBondContact O-N 3.18Å |
| 1292 | G | 66.3 | Low | 67 | Low | 9 Ų | 9 | 62.4 Ų | 62.4 | 9% | 0.093 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 67.7 | 12.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | P1277 A1280 L1294 | P1277-G1292 WeakPolarHBondContact O-CA 3.33Å; A1280-G1292 WeakPolarHBondContact CB-O 3.13Å; A1280-G1292 PolarHBondContact N-O 3.33Å; G1292-L1294 WeakPolarHBondContact O-CG 3.31Å; G1292-L1294 PolarHBondContact O-N 3.16Å |
| 1293 | I | 60.7 | Low | 66.5 | Low | 108 Ų | 108 | 62.5 Ų | 62.5 | 55% | 0.554 | 39% | 0.388 | S | S | * | . | trans | -73.3 | 106.3 | 172.6 | -61.4 | -169.9 | 0 | 0 | 0 | 108.8 | N1290 V1291 | N1290-I1293 HydrophobicContact CB-CD1 4.36Å; V1291-I1293 PolarHBondContact O-N 3.18Å | ||
| 1294 | L | 56.7 | Low | 66.4 | Low | 39 Ų | 39 | 66.6 Ų | 66.6 | 20% | 0.204 | 41% | 0.408 | C | S | . | . | trans | -92.1 | 114.7 | -173.1 | -64 | 138.1 | 0 | 0 | 0 | 111.1 | A1193 V1279 G1292 L1296 W1297 | A1193-L1294 HydrophobicContact CB-CD2 3.98Å; V1279-L1294 HydrophobicContact CB-CD1 4.12Å; V1279-L1294 HydrophobicContact CG1-CD1 3.97Å; V1279-L1294 HydrophobicContact CG2-CD1 4.08Å; G1292-L1294 WeakPolarHBondContact O-CG 3.31Å; G1292-L1294 PolarHBondContact O-N 3.16Å; L1294-L1296 VanDerWaalsContact C-N 3.29Å; L1294-L1296 PolarHBondContact O-N 3.48Å; L1294-W1297 HydrophobicContact CB-CB 4.49Å; L1294-W1297 VanDerWaalsContact CB-CD1 3.42Å; L1294-W1297 HydrophobicContact CB-CD2 4.2Å; L1294-W1297 HydrophobicContact CB-CG 3.81Å; L1294-W1297 HydrophobicContact CD1-CD2 4.06Å; L1294-W1297 HydrophobicContact CD1-CE3 4.5Å; L1294-W1297 HydrophobicContact CD1-CH2 3.95Å; L1294-W1297 HydrophobicContact CD1-CZ2 3.59Å; L1294-W1297 HydrophobicContact CD1-CZ3 4.39Å; L1294-W1297 HydrophobicContact CD2-CZ2 4.03Å; L1294-W1297 HydrophobicContact CG-CZ2 4.31Å | ||
| 1295 | T | 53.5 | Low | 66.4 | Low | 129 Ų | 129 | 67.2 Ų | 67.2 | 79% | 0.791 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -11.9 | -171.4 | 49.9 | 0 | 0 | 0 | 0 | 115.9 | ||
| 1296 | L | 52.4 | Low | 66.9 | Low | 119 Ų | 119 | 61.4 Ų | 61.4 | 62% | 0.623 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127.3 | 26.4 | -164.1 | -133.2 | 82.6 | 0 | 0 | 0 | 115.6 | L1294 | L1294-L1296 VanDerWaalsContact C-N 3.29Å; L1294-L1296 PolarHBondContact O-N 3.48Å |
| 1297 | W | 47.4 | Very low | 67.5 | Low | 26 Ų | 26 | 64.5 Ų | 64.5 | 10% | 0.098 | 38% | 0.375 | C | S | . | . | G | 310 helix | trans | -100.3 | 14.6 | -160.1 | -89.7 | 55.2 | 0 | 0 | 0 | 118.2 | V1279 L1294 S1299 L1300 F1303 M1304 | V1279-W1297 HydrophobicContact CG1-CH2 4.34Å; V1279-W1297 HydrophobicContact CG2-CH2 4.04Å; V1279-W1297 HydrophobicContact CG2-CZ2 4.48Å; L1294-W1297 HydrophobicContact CB-CB 4.49Å; L1294-W1297 VanDerWaalsContact CB-CD1 3.42Å; L1294-W1297 HydrophobicContact CB-CD2 4.2Å; L1294-W1297 HydrophobicContact CB-CG 3.81Å; L1294-W1297 HydrophobicContact CD1-CD2 4.06Å; L1294-W1297 HydrophobicContact CD1-CE3 4.5Å; L1294-W1297 HydrophobicContact CD1-CH2 3.95Å; L1294-W1297 HydrophobicContact CD1-CZ2 3.59Å; L1294-W1297 HydrophobicContact CD1-CZ3 4.39Å; L1294-W1297 HydrophobicContact CD2-CZ2 4.03Å; L1294-W1297 HydrophobicContact CG-CZ2 4.31Å; W1297-S1299 PolarHBondContact O-N 3.12Å; W1297-L1300 HydrophobicContact CE3-CB 4.15Å; W1297-L1300 PolarHBondContact O-N 3.06Å; W1297-F1303 HydrophobicContact CE3-CB 4.37Å; W1297-F1303 HydrophobicContact CH2-CB 3.42Å; W1297-F1303 VanDerWaalsContact CH2-CB 3.42Å; W1297-F1303 HydrophobicContact CH2-CG 4.4Å; W1297-F1303 HydrophobicContact CZ3-CB 3.22Å; W1297-F1303 HydrophobicContact CZ3-CG 4.47Å; W1297-F1303 WeakPolarHBondContact CZ3-O 3.33Å; W1297-M1304 HydrophobicContact CB-CE 3.85Å; W1297-M1304 HydrophobicContact CD2-CE 4.28Å; W1297-M1304 HydrophobicContact CE3-CE 3.5Å; W1297-M1304 HydrophobicContact CG-CE 4.47Å; W1297-M1304 HydrophobicContact CZ3-CE 4.29Å |
| 1298 | S | 52.2 | Low | 67.9 | Low | 129 Ų | 129 | 64.7 Ų | 64.7 | 90% | 0.902 | 37% | 0.373 | S | S | * | . | G | 310 helix | trans | -58 | -6.9 | 164.8 | 51.7 | 0 | 0 | 0 | 0 | 114 | ||
| 1299 | S | 53.1 | Low | 68.4 | Low | 57 Ų | 57 | 62.5 Ų | 62.5 | 40% | 0.399 | 36% | 0.363 | S | S | . | . | G | 310 helix | trans | -104.4 | -9.4 | -178 | 63 | 0 | 0 | 0 | 0 | 116.9 | W1297 | W1297-S1299 PolarHBondContact O-N 3.12Š|
| 1300 | L | 65.7 | Low | 69.3 | Low | 14 Ų | 14 | 60.7 Ų | 60.7 | 7% | 0.073 | 34% | 0.34 | C | S | . | . | trans | -142.6 | 66.1 | -175.5 | -71.3 | 176.6 | 0 | 0 | 0 | 113.5 | L1186 W1297 E1302 F1303 V1325 | L1186-L1300 HydrophobicContact CD1-CD1 4.31Å; W1297-L1300 HydrophobicContact CE3-CB 4.15Å; W1297-L1300 PolarHBondContact O-N 3.06Å; L1300-E1302 PolarHBondContact O-N 3.37Å; L1300-F1303 PolarHBondContact O-N 3.34Å; L1300-V1325 HydrophobicContact CD2-CG1 4.11Å | ||
| 1301 | P | 70.2 | Confident | 70.5 | Confident | 77 Ų | 77 | 58.8 Ų | 58.8 | 50% | 0.5 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -64.3 | -19.6 | -178.3 | 28.1 | -36.1 | 0 | 0 | 0 | 114.5 | F1303 M1304 | P1301-F1303 PolarHBondContact O-N 3.36Å; P1301-M1304 WeakPolarHBondContact O-CG 3.39Å; P1301-M1304 PolarHBondContact O-N 3.26Å |
| 1302 | E | 70.5 | Confident | 71.3 | Confident | 55 Ų | 55 | 58.5 Ų | 58.5 | 26% | 0.257 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | -69.7 | -20.7 | -178.5 | -57.7 | 88.8 | 164.3 | 0 | 0 | 113.5 | L1300 T1308 L1309 W1312 | L1300-E1302 PolarHBondContact O-N 3.37Å; E1302-T1308 CarbonylContact O-C 3.41Å; E1302-T1308 WeakPolarHBondContact O-CB 3.29Å; E1302-T1308 PolarHBondContact O-OG1 2.78Å; E1302-L1309 PolarHBondContact O-N 2.98Å; E1302-W1312 HydrophobicContact CB-CB 4.43Å; E1302-W1312 HydrophobicContact CB-CG 4.48Å |
| 1303 | F | 70.5 | Confident | 72.5 | Confident | 3 Ų | 3 | 58 Ų | 58 | 1% | 0.013 | 32% | 0.319 | C | S | . | . | G | 310 helix | trans | -102.2 | 9 | -176.3 | -71 | -104 | 0 | 0 | 0 | 112.5 | L1121 L1186 V1279 W1297 L1300 P1301 N1305 L1309 V1325 | L1121-F1303 HydrophobicContact CD1-CE1 4.17Å; L1121-F1303 HydrophobicContact CD1-CZ 4.37Å; L1121-F1303 HydrophobicContact CD2-CE1 4.13Å; L1121-F1303 HydrophobicContact CD2-CZ 4.47Å; L1121-F1303 HydrophobicContact CG-CE1 4.29Å; L1186-F1303 HydrophobicContact CD1-CD1 3.79Å; L1186-F1303 HydrophobicContact CD1-CD2 4.21Å; L1186-F1303 HydrophobicContact CD1-CE1 3.58Å; L1186-F1303 HydrophobicContact CD1-CE2 3.98Å; L1186-F1303 HydrophobicContact CD1-CG 4.16Å; L1186-F1303 HydrophobicContact CD1-CZ 3.68Å; L1186-F1303 HydrophobicContact CD2-CD1 4.27Å; L1186-F1303 HydrophobicContact CD2-CE1 3.38Å; L1186-F1303 HydrophobicContact CD2-CZ 3.61Å; L1186-F1303 HydrophobicContact CG-CE1 4.11Å; L1186-F1303 HydrophobicContact CG-CZ 4.27Å; V1279-F1303 WeakPolarHBondContact CG1-O 3.49Å; W1297-F1303 HydrophobicContact CE3-CB 4.37Å; W1297-F1303 HydrophobicContact CH2-CB 3.42Å; W1297-F1303 VanDerWaalsContact CH2-CB 3.42Å; W1297-F1303 HydrophobicContact CH2-CG 4.4Å; W1297-F1303 HydrophobicContact CZ3-CB 3.22Å; W1297-F1303 HydrophobicContact CZ3-CG 4.47Å; W1297-F1303 WeakPolarHBondContact CZ3-O 3.33Å; L1300-F1303 PolarHBondContact O-N 3.34Å; P1301-F1303 PolarHBondContact O-N 3.36Å; F1303-N1305 VanDerWaalsContact C-N 3.34Å; F1303-N1305 PolarHBondContact O-N 2.68Å; F1303-L1309 HydrophobicContact CB-CD2 4.16Å; F1303-L1309 HydrophobicContact CD1-CD2 3.32Å; F1303-L1309 HydrophobicContact CD2-CD2 4.5Å; F1303-L1309 HydrophobicContact CE1-CD2 3.65Å; F1303-L1309 HydrophobicContact CG-CD2 3.75Å; F1303-L1309 HydrophobicContact CZ-CD2 4.39Å; F1303-V1325 HydrophobicContact CE2-CG1 4.32Å |
| 1304 | M | 71.3 | Confident | 74 | Confident | 85 Ų | 85 | 54.9 Ų | 54.9 | 42% | 0.419 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -58.6 | -37.9 | -174.9 | -73.4 | -84.4 | 105.8 | 0 | 0 | 114.4 | W1297 P1301 T1308 | W1297-M1304 HydrophobicContact CB-CE 3.85Å; W1297-M1304 HydrophobicContact CD2-CE 4.28Å; W1297-M1304 HydrophobicContact CE3-CE 3.5Å; W1297-M1304 HydrophobicContact CG-CE 4.47Å; W1297-M1304 HydrophobicContact CZ3-CE 4.29Å; P1301-M1304 WeakPolarHBondContact O-CG 3.39Å; P1301-M1304 PolarHBondContact O-N 3.26Å; M1304-T1308 HydrophobicContact CB-CG2 4.39Å; M1304-T1308 PolarHBondContact N-OG1 3.25Å |
| 1305 | N | 81.8 | Confident | 75.6 | Confident | 56 Ų | 56 | 57.6 Ų | 57.6 | 30% | 0.299 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -157.2 | 175.3 | -178.9 | 58.2 | 64.3 | 0 | 0 | 0 | 111.3 | F1303 N1307 T1308 L1309 | F1303-N1305 VanDerWaalsContact C-N 3.34Å; F1303-N1305 PolarHBondContact O-N 2.68Å; N1305-N1307 PolarHBondContact O-N 2.99Å; N1305-N1307 WeakPolarHBondContact OD1-CA 3.22Å; N1305-N1307 WeakPolarHBondContact OD1-CB 3.36Å; N1305-N1307 PolarHBondContact OD1-N 3.12Å; N1305-T1308 PolarHBondContact N-OG1 3.1Å; N1305-T1308 VanDerWaalsContact N-OG1 3.15Å; N1305-T1308 PolarHBondContact O-N 3.48Å; N1305-T1308 PolarHBondContact O-OG1 2.86Å; N1305-T1308 PolarHBondContact OD1-N 3.18Å; N1305-L1309 WeakPolarHBondContact O-CG 3.47Å; N1305-L1309 PolarHBondContact O-N 3.06Å; N1305-L1309 VanDerWaalsContact O-N 3.14Å |
| 1306 | I | 87.1 | Confident | 77.2 | Confident | 2 Ų | 2 | 55.2 Ų | 55.2 | 1% | 0.01 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -58.5 | -30.8 | -179.4 | -159.2 | 66.5 | 0 | 0 | 0 | 113.5 | L1118 L1122 Q1272 L1282 R1310 | L1118-I1306 HydrophobicContact CD1-CD1 4.4Å; L1118-I1306 HydrophobicContact CD2-CD1 3.92Å; L1118-I1306 HydrophobicContact CD2-CG1 4.34Å; L1118-I1306 HydrophobicContact CG-CD1 4.49Å; L1122-I1306 HydrophobicContact CD1-CD1 4.14Å; Q1272-I1306 VanDerWaalsContact CD-CG2 3.42Å; Q1272-I1306 HydrophobicContact CG-CB 4.23Å; Q1272-I1306 HydrophobicContact CG-CG2 4.12Å; Q1272-I1306 VanDerWaalsContact OE1-CG2 3.25Å; L1282-I1306 HydrophobicContact CD2-CB 4.25Å; L1282-I1306 HydrophobicContact CD2-CD1 3.83Å; I1306-R1310 VanDerWaalsContact O-CG 3.32Å; I1306-R1310 WeakPolarHBondContact O-CG 3.5Å; I1306-R1310 PolarHBondContact O-N 3.31Å |
| 1307 | N | 90.3 | Very high | 78.9 | Confident | 105 Ų | 105 | 52.2 Ų | 52.2 | 56% | 0.561 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -76.4 | -41.6 | -177.6 | -64.2 | -34.7 | 0 | 0 | 0 | 111.3 | N1305 L1309 R1310 E1311 | N1305-N1307 PolarHBondContact O-N 2.99Å; N1305-N1307 WeakPolarHBondContact OD1-CA 3.22Å; N1305-N1307 WeakPolarHBondContact OD1-CB 3.36Å; N1305-N1307 PolarHBondContact OD1-N 3.12Å; N1307-L1309 PolarHBondContact O-N 3.44Å; N1307-R1310 PolarHBondContact O-N 2.95Å; N1307-E1311 PolarHBondContact O-N 3.14Å |
| 1308 | T | 88.4 | Confident | 80.9 | Confident | 42 Ų | 42 | 57.9 Ų | 57.9 | 26% | 0.258 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -63.5 | -34.8 | 173.5 | 60.8 | 0 | 0 | 0 | 0 | 111.2 | E1302 M1304 N1305 E1311 W1312 | E1302-T1308 CarbonylContact O-C 3.41Å; E1302-T1308 WeakPolarHBondContact O-CB 3.29Å; E1302-T1308 PolarHBondContact O-OG1 2.78Å; M1304-T1308 HydrophobicContact CB-CG2 4.39Å; M1304-T1308 PolarHBondContact N-OG1 3.25Å; N1305-T1308 PolarHBondContact N-OG1 3.1Å; N1305-T1308 VanDerWaalsContact N-OG1 3.15Å; N1305-T1308 PolarHBondContact O-N 3.48Å; N1305-T1308 PolarHBondContact O-OG1 2.86Å; N1305-T1308 PolarHBondContact OD1-N 3.18Å; T1308-E1311 PolarHBondContact O-N 2.97Å; T1308-W1312 WeakPolarHBondContact O-CB 3.27Å; T1308-W1312 PolarHBondContact O-N 3.13Å |
| 1309 | L | 87.2 | Confident | 82.3 | Confident | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.01 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -67.6 | -40.3 | 172.5 | -71.7 | 175.7 | 0 | 0 | 0 | 113.4 | L1118 L1121 L1122 L1282 E1302 F1303 N1305 N1307 W1312 A1313 | L1118-L1309 HydrophobicContact CD1-CB 3.63Å; L1118-L1309 HydrophobicContact CD1-CD1 4.48Å; L1121-L1309 HydrophobicContact CD2-CD2 3.86Å; L1122-L1309 HydrophobicContact CD2-CD1 3.96Å; L1282-L1309 HydrophobicContact CD2-CD1 3.91Å; E1302-L1309 PolarHBondContact O-N 2.98Å; F1303-L1309 HydrophobicContact CB-CD2 4.16Å; F1303-L1309 HydrophobicContact CD1-CD2 3.32Å; F1303-L1309 HydrophobicContact CD2-CD2 4.5Å; F1303-L1309 HydrophobicContact CE1-CD2 3.65Å; F1303-L1309 HydrophobicContact CG-CD2 3.75Å; F1303-L1309 HydrophobicContact CZ-CD2 4.39Å; N1305-L1309 WeakPolarHBondContact O-CG 3.47Å; N1305-L1309 PolarHBondContact O-N 3.06Å; N1305-L1309 VanDerWaalsContact O-N 3.14Å; N1307-L1309 PolarHBondContact O-N 3.44Å; L1309-W1312 PolarHBondContact O-N 3.46Å; L1309-A1313 WeakPolarHBondContact O-CB 3.42Å; L1309-A1313 PolarHBondContact O-N 2.83Å |
| 1310 | R | 92.3 | Very high | 82.9 | Confident | 65 Ų | 65 | 57.8 Ų | 57.8 | 25% | 0.245 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.3 | -44 | 171.7 | -77.7 | 169.5 | 178.1 | -97.4 | -7.8 | 111 | V1114 D1115 L1118 I1306 N1307 A1313 R1314 | V1114-R1310 HydrophobicContact CG1-CB 4.1Å; V1114-R1310 HydrophobicContact CG1-CG 4.21Å; D1115-R1310 IonicContact OD1-CZ 2.8Å; D1115-R1310 VanDerWaalsContact OD1-CZ 3.26Å; D1115-R1310 IonicContact OD1-NH1 2.93Å; D1115-R1310 PolarHBondContact OD1-NH1 3.49Å; D1115-R1310 IonicContact OD1-NH2 3.64Å; D1115-R1310 IonicContact OD2-CZ 2.61Å; D1115-R1310 IonicContact OD2-NH1 3.7Å; D1115-R1310 PolarHBondContact OD2-NH1 2.98Å; D1115-R1310 IonicContact OD2-NH2 3.47Å; D1115-R1310 PolarHBondContact OD2-NH2 2.93Å; L1118-R1310 HydrophobicContact CD2-CG 3.52Å; I1306-R1310 VanDerWaalsContact O-CG 3.32Å; I1306-R1310 WeakPolarHBondContact O-CG 3.5Å; I1306-R1310 PolarHBondContact O-N 3.31Å; N1307-R1310 PolarHBondContact O-N 2.95Å; R1310-A1313 PolarHBondContact O-N 2.94Å; R1310-R1314 WeakPolarHBondContact O-CB 3.33Å; R1310-R1314 PolarHBondContact O-N 3.42Å |
| 1311 | E | 92.5 | Very high | 82.3 | Confident | 93 Ų | 93 | 57.7 Ų | 57.7 | 44% | 0.435 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64.8 | -38 | 174.1 | -67.1 | -46.6 | 135.5 | 0 | 0 | 113 | N1307 T1308 R1314 K1315 | N1307-E1311 PolarHBondContact O-N 3.14Å; T1308-E1311 PolarHBondContact O-N 2.97Å; E1311-R1314 PolarHBondContact O-N 2.99Å; E1311-R1314 IonicContact OE1-CZ 2.79Å; E1311-R1314 IonicContact OE1-NH1 3.25Å; E1311-R1314 PolarHBondContact OE1-NH1 2.93Å; E1311-R1314 IonicContact OE2-NH1 2.89Å; E1311-R1314 PolarHBondContact OE2-NH1 2.91Å; E1311-K1315 VanDerWaalsContact O-CG 3.29Å; E1311-K1315 WeakPolarHBondContact O-CG 3.31Å; E1311-K1315 PolarHBondContact O-N 2.99Å |
| 1312 | W | 88.4 | Confident | 81.4 | Confident | 13 Ų | 13 | 57 Ų | 57 | 5% | 0.049 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.4 | -46.8 | 174 | -174.9 | 95.8 | 0 | 0 | 0 | 111.5 | L1121 F1132 E1302 T1308 L1309 R1314 K1315 Y1316 | L1121-W1312 HydrophobicContact CD1-CH2 4.25Å; L1121-W1312 HydrophobicContact CD1-CZ3 3.97Å; L1121-W1312 HydrophobicContact CD2-CD2 4.37Å; L1121-W1312 HydrophobicContact CD2-CE3 3.52Å; L1121-W1312 HydrophobicContact CD2-CZ3 3.69Å; L1121-W1312 HydrophobicContact CG-CZ3 4.39Å; F1132-W1312 HydrophobicContact CD1-CH2 4.38Å; F1132-W1312 AromaticContact CE1-CH2 3.65Å; F1132-W1312 HydrophobicContact CE1-CH2 3.65Å; F1132-W1312 AromaticContact CE1-CZ3 3.89Å; F1132-W1312 HydrophobicContact CE1-CZ3 3.89Å; F1132-W1312 HydrophobicContact CZ-CH2 4.13Å; F1132-W1312 AromaticContact CZ-CZ3 3.87Å; F1132-W1312 HydrophobicContact CZ-CZ3 3.87Å; E1302-W1312 HydrophobicContact CB-CB 4.43Å; E1302-W1312 HydrophobicContact CB-CG 4.48Å; T1308-W1312 WeakPolarHBondContact O-CB 3.27Å; T1308-W1312 PolarHBondContact O-N 3.13Å; L1309-W1312 PolarHBondContact O-N 3.46Å; W1312-R1314 VanDerWaalsContact C-N 3.33Å; W1312-R1314 PolarHBondContact O-N 3.14Å; W1312-K1315 PolarHBondContact O-N 2.77Å; W1312-Y1316 AromaticContact CH2-CD2 3.9Å; W1312-Y1316 HydrophobicContact CH2-CD2 3.9Å; W1312-Y1316 HydrophobicContact CH2-CG 4.23Å; W1312-Y1316 HydrophobicContact CZ3-CD2 4.32Å; W1312-Y1316 HydrophobicContact CZ3-CG 4.18Å; W1312-Y1316 WeakPolarHBondContact O-CB 3.19Å; W1312-Y1316 PolarHBondContact O-N 2.98Å |
| 1313 | A | 89.7 | Confident | 80.1 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.5 | -38.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | V1114 V1117 L1118 L1309 R1310 Y1316 I1317 | V1114-A1313 HydrophobicContact CG1-CB 4.18Å; V1117-A1313 HydrophobicContact CG1-CB 4.35Å; L1118-A1313 HydrophobicContact CB-CB 4.39Å; L1309-A1313 WeakPolarHBondContact O-CB 3.42Å; L1309-A1313 PolarHBondContact O-N 2.83Å; R1310-A1313 PolarHBondContact O-N 2.94Å; A1313-Y1316 WeakPolarHBondContact O-CB 3.25Å; A1313-Y1316 PolarHBondContact O-N 2.75Å; A1313-I1317 WeakPolarHBondContact O-CD1 3.48Å; A1313-I1317 VanDerWaalsContact O-CG1 3.31Å; A1313-I1317 WeakPolarHBondContact O-CG1 3.43Å; A1313-I1317 PolarHBondContact O-N 3.07Å |
| 1314 | R | 93.9 | Very high | 78.7 | Confident | 41 Ų | 41 | 66.3 Ų | 66.3 | 16% | 0.155 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -62.5 | -45.6 | 173 | -165.7 | 177.1 | -69.6 | 104.5 | -3.8 | 112.1 | E1110 N1111 V1114 R1310 E1311 W1312 Y1316 I1317 R1318 | E1110-R1314 HydrophobicContact CG-CG 4.37Å; E1110-R1314 VanDerWaalsContact OE1-CG 3.25Å; E1110-R1314 WeakPolarHBondContact OE1-CG 3.32Å; N1111-R1314 PolarHBondContact OD1-NH2 2.78Å; V1114-R1314 HydrophobicContact CG2-CB 3.66Å; V1114-R1314 HydrophobicContact CG2-CG 3.94Å; R1310-R1314 WeakPolarHBondContact O-CB 3.33Å; R1310-R1314 PolarHBondContact O-N 3.42Å; E1311-R1314 PolarHBondContact O-N 2.99Å; E1311-R1314 IonicContact OE1-CZ 2.79Å; E1311-R1314 IonicContact OE1-NH1 3.25Å; E1311-R1314 PolarHBondContact OE1-NH1 2.93Å; E1311-R1314 IonicContact OE2-NH1 2.89Å; E1311-R1314 PolarHBondContact OE2-NH1 2.91Å; W1312-R1314 VanDerWaalsContact C-N 3.33Å; W1312-R1314 PolarHBondContact O-N 3.14Å; R1314-Y1316 VanDerWaalsContact C-N 3.3Å; R1314-Y1316 PolarHBondContact O-N 2.85Å; R1314-I1317 PolarHBondContact O-N 3.45Å; R1314-R1318 WeakPolarHBondContact O-CG 3.32Å; R1314-R1318 PolarHBondContact O-N 3.23Å |
| 1315 | K | 90 | Very high | 77.4 | Confident | 97 Ų | 97 | 63.1 Ų | 63.1 | 42% | 0.422 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -60.9 | -38.5 | 173.1 | -71.1 | 170.1 | -174.7 | 176.2 | 0 | 111.6 | E1311 W1312 R1318 G1319 I1320 A1321 | E1311-K1315 VanDerWaalsContact O-CG 3.29Å; E1311-K1315 WeakPolarHBondContact O-CG 3.31Å; E1311-K1315 PolarHBondContact O-N 2.99Å; W1312-K1315 PolarHBondContact O-N 2.77Å; K1315-R1318 PolarHBondContact O-N 3.43Å; K1315-G1319 PolarHBondContact O-N 2.82Å; K1315-G1319 VanDerWaalsContact O-N 3.14Å; K1315-I1320 PolarHBondContact O-N 2.88Å; K1315-A1321 HydrophobicContact CB-CB 4.03Å; K1315-A1321 PolarHBondContact O-N 3.08Å |
| 1316 | Y | 86.8 | Confident | 75.3 | Confident | 79 Ų | 79 | 61.5 Ų | 61.5 | 31% | 0.31 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -64.3 | -47.7 | 177.6 | 175.2 | -93.4 | 0 | 0 | 0 | 111.6 | V1117 F1132 W1312 A1313 R1314 R1318 G1319 | V1117-Y1316 HydrophobicContact CG1-CD1 3.86Å; V1117-Y1316 HydrophobicContact CG1-CE1 4.13Å; F1132-Y1316 HydrophobicContact CE1-CD2 4.29Å; F1132-Y1316 HydrophobicContact CE1-CE1 4.23Å; F1132-Y1316 AromaticContact CE1-CE2 3.86Å; F1132-Y1316 HydrophobicContact CE1-CE2 3.86Å; F1132-Y1316 AromaticContact CE1-CZ 3.82Å; F1132-Y1316 HydrophobicContact CZ-CD1 4.37Å; F1132-Y1316 HydrophobicContact CZ-CE1 4.07Å; F1132-Y1316 HydrophobicContact CZ-CE2 4.47Å; W1312-Y1316 AromaticContact CH2-CD2 3.9Å; W1312-Y1316 HydrophobicContact CH2-CD2 3.9Å; W1312-Y1316 HydrophobicContact CH2-CG 4.23Å; W1312-Y1316 HydrophobicContact CZ3-CD2 4.32Å; W1312-Y1316 HydrophobicContact CZ3-CG 4.18Å; W1312-Y1316 WeakPolarHBondContact O-CB 3.19Å; W1312-Y1316 PolarHBondContact O-N 2.98Å; A1313-Y1316 WeakPolarHBondContact O-CB 3.25Å; A1313-Y1316 PolarHBondContact O-N 2.75Å; R1314-Y1316 VanDerWaalsContact C-N 3.3Å; R1314-Y1316 PolarHBondContact O-N 2.85Å; Y1316-R1318 VanDerWaalsContact C-N 3.31Å; Y1316-R1318 PolarHBondContact O-N 3.17Å; Y1316-G1319 PolarHBondContact O-N 2.89Å |
| 1317 | I | 88 | Confident | 72.7 | Confident | 56 Ų | 56 | 66.1 Ų | 66.1 | 29% | 0.287 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -61.2 | -39.3 | 177 | -68.3 | 156 | 0 | 0 | 0 | 111.7 | M1113 V1114 V1117 A1313 R1314 G1319 | M1113-I1317 HydrophobicContact CB-CD1 4.24Å; M1113-I1317 HydrophobicContact CG-CD1 3.77Å; M1113-I1317 HydrophobicContact CG-CG1 4.16Å; M1113-I1317 HydrophobicContact CG-CG2 4.03Å; M1113-I1317 WeakPolarHBondContact O-CD1 3.23Å; V1114-I1317 VanDerWaalsContact CA-CD1 3.47Å; V1114-I1317 HydrophobicContact CB-CD1 4.28Å; V1114-I1317 HydrophobicContact CG2-CD1 3.8Å; V1117-I1317 HydrophobicContact CB-CD1 4.2Å; V1117-I1317 HydrophobicContact CB-CG1 4.47Å; V1117-I1317 HydrophobicContact CG2-CD1 3.95Å; V1117-I1317 HydrophobicContact CG2-CG1 3.93Å; A1313-I1317 WeakPolarHBondContact O-CD1 3.48Å; A1313-I1317 VanDerWaalsContact O-CG1 3.31Å; A1313-I1317 WeakPolarHBondContact O-CG1 3.43Å; A1313-I1317 PolarHBondContact O-N 3.07Å; R1314-I1317 PolarHBondContact O-N 3.45Å; I1317-G1319 PolarHBondContact O-N 2.78Å |
| 1318 | R | 89.2 | Confident | 69.8 | Low | 144 Ų | 144 | 69.6 Ų | 69.6 | 54% | 0.543 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -7 | 175.7 | -66.9 | 179.5 | -178.1 | -167.4 | -0.4 | 114 | E1110 R1314 K1315 Y1316 I1320 | E1110-R1318 VanDerWaalsContact CD-NH2 3.25Å; E1110-R1318 IonicContact OE1-CZ 3.76Å; E1110-R1318 VanDerWaalsContact OE1-CZ 3.22Å; E1110-R1318 IonicContact OE1-NE 2.71Å; E1110-R1318 PolarHBondContact OE1-NE 3.07Å; E1110-R1318 IonicContact OE1-NH2 3.68Å; E1110-R1318 PolarHBondContact OE1-NH2 2.79Å; E1110-R1318 IonicContact OE2-CZ 3.98Å; E1110-R1318 IonicContact OE2-NE 2.79Å; E1110-R1318 IonicContact OE2-NH2 3.59Å; E1110-R1318 PolarHBondContact OE2-NH2 3.25Å; R1314-R1318 WeakPolarHBondContact O-CG 3.32Å; R1314-R1318 PolarHBondContact O-N 3.23Å; K1315-R1318 PolarHBondContact O-N 3.43Å; Y1316-R1318 VanDerWaalsContact C-N 3.31Å; Y1316-R1318 PolarHBondContact O-N 3.17Å; R1318-I1320 VanDerWaalsContact C-N 3.28Å; R1318-I1320 HydrophobicContact CB-CD1 3.75Å; R1318-I1320 HydrophobicContact CB-CG1 3.93Å; R1318-I1320 PolarHBondContact O-N 2.94Å |
| 1319 | G | 82.6 | Confident | 67 | Low | 68 Ų | 68 | 73.7 Ų | 73.7 | 70% | 0.701 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.5 | 18.4 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | K1315 Y1316 I1317 | K1315-G1319 PolarHBondContact O-N 2.82Å; K1315-G1319 VanDerWaalsContact O-N 3.14Å; Y1316-G1319 PolarHBondContact O-N 2.89Å; I1317-G1319 PolarHBondContact O-N 2.78Å |
| 1320 | I | 63.6 | Low | 64.1 | Low | 117 Ų | 117 | 80 Ų | 80 | 60% | 0.6 | 41% | 0.412 | S | S | * | . | trans | -102.4 | -12.7 | -176.8 | -56.3 | 171.7 | 0 | 0 | 0 | 111.5 | K1315 R1318 | K1315-I1320 PolarHBondContact O-N 2.88Å; R1318-I1320 VanDerWaalsContact C-N 3.28Å; R1318-I1320 HydrophobicContact CB-CD1 3.75Å; R1318-I1320 HydrophobicContact CB-CG1 3.93Å; R1318-I1320 PolarHBondContact O-N 2.94Å | ||
| 1321 | A | 55 | Low | 61 | Low | 12 Ų | 12 | 84.7 Ų | 84.7 | 10% | 0.099 | 44% | 0.441 | C | S | . | . | S | Bend | trans | -60 | 138.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | K1315 N1323 | K1315-A1321 HydrophobicContact CB-CB 4.03Å; K1315-A1321 PolarHBondContact O-N 3.08Å; A1321-N1323 PolarHBondContact O-N 3.36Å |
| 1322 | P | 50.7 | Low | 57.8 | Low | 63 Ų | 63 | 84.4 Ų | 84.4 | 41% | 0.409 | 45% | 0.446 | S | S | . | . | trans | -63.8 | 112.3 | 178.8 | 24.5 | -32.5 | 0 | 0 | 0 | 110.6 | N1324 V1325 | P1322-N1324 PolarHBondContact O-N 3.12Å; P1322-V1325 HydrophobicContact CG-CG2 4.08Å; P1322-V1325 PolarHBondContact O-N 3.3Å | ||
| 1323 | N | 43.6 | Very low | 54.8 | Low | 145 Ų | 145 | 94.3 Ų | 94.3 | 78% | 0.775 | 48% | 0.483 | S | S | * | . | G | 310 helix | trans | -50 | -23.8 | 176.9 | -67.9 | -36.8 | 0 | 0 | 0 | 113.5 | A1321 V1325 | A1321-N1323 PolarHBondContact O-N 3.36Å; N1323-V1325 PolarHBondContact O-N 3.01Å |
| 1324 | N | 39.9 | Very low | 52 | Low | 108 Ų | 108 | 100.7 Ų | 100.7 | 58% | 0.578 | 52% | 0.517 | S | S | * | . | G | 310 helix | trans | -75.6 | -12.1 | -170.5 | -62.3 | -8.1 | 0 | 0 | 0 | 115.2 | P1322 M1326 | P1322-N1324 PolarHBondContact O-N 3.12Å; N1324-M1326 VanDerWaalsContact C-N 3.32Å; N1324-M1326 PolarHBondContact O-N 2.75Å |
| 1325 | V | 43.8 | Very low | 48.9 | Very low | 18 Ų | 18 | 102.3 Ų | 102.3 | 11% | 0.109 | 53% | 0.531 | C | S | . | . | G | 310 helix | trans | -70.2 | -30.3 | -179.1 | -179.1 | 0 | 0 | 0 | 0 | 111.6 | L1300 F1303 P1322 N1323 | L1300-V1325 HydrophobicContact CD2-CG1 4.11Å; F1303-V1325 HydrophobicContact CE2-CG1 4.32Å; P1322-V1325 HydrophobicContact CG-CG2 4.08Å; P1322-V1325 PolarHBondContact O-N 3.3Å; N1323-V1325 PolarHBondContact O-N 3.01Å |
| 1326 | M | 39.3 | Very low | 46.1 | Very low | 22 Ų | 22 | 104.6 Ų | 104.6 | 11% | 0.108 | 54% | 0.544 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.4 | -32.7 | -171 | -73.3 | -64.6 | -129.3 | 0 | 0 | 116.6 | S1184 L1186 N1324 | S1184-M1326 WeakPolarHBondContact OG-CE 3.46Å; L1186-M1326 HydrophobicContact CB-CE 3.62Å; L1186-M1326 HydrophobicContact CB-SD 3.43Å; L1186-M1326 WeakPolarHBondContact CB-SD 3.35Å; L1186-M1326 HydrophobicContact CD2-CE 3.74Å; L1186-M1326 HydrophobicContact CG-CE 4.34Å; N1324-M1326 VanDerWaalsContact C-N 3.32Å; N1324-M1326 PolarHBondContact O-N 2.75Å |
| 1327 | N | 32.3 | Very low | 43.5 | Very low | 98 Ų | 98 | 109 Ų | 109 | 52% | 0.524 | 56% | 0.561 | S | S | . | * | S | Bend | trans | -153.8 | 132.2 | -176.2 | -99.1 | -59.2 | 0 | 0 | 0 | 117.7 | D1133 | D1133-N1327 PolarHBondContact OD2-ND2 3.34Š|
| 1328 | K | 27.9 | Very low | 40.8 | Very low | 179 Ų | 179 | 111 Ų | 111 | 78% | 0.778 | 57% | 0.571 | S | S | * | * | trans | 66.4 | 139.4 | 156.8 | -65.7 | -177.1 | 177.2 | -179.2 | 0 | 120.3 | ||||
| 1329 | P | 29.7 | Very low | 38.1 | Very low | 128 Ų | 128 | 109.3 Ų | 109.3 | 83% | 0.831 | 57% | 0.572 | S | S | * | * | trans | -76.4 | 141.8 | -179.5 | 31.8 | -35 | 0 | 0 | 0 | 113.3 | ||||
| 1330 | L | 27 | Very low | 35.8 | Very low | 134 Ų | 134 | 111 Ų | 111 | 70% | 0.702 | 57% | 0.569 | S | S | * | * | trans | -32.2 | 122.3 | 176.4 | -70.5 | 150.2 | 0 | 0 | 0 | 117.1 | ||||
| 1331 | I | 26.7 | Very low | 34.6 | Very low | 163 Ų | 163 | 111.8 Ų | 111.8 | 84% | 0.836 | 57% | 0.568 | S | S | * | * | trans | -127.5 | 71.3 | 140.3 | -53.2 | 179.7 | 0 | 0 | 0 | 107.9 | ||||
| 1332 | T | 25.6 | Very low | 33.6 | Very low | 88 Ų | 88 | 115.8 Ų | 115.8 | 54% | 0.54 | 59% | 0.591 | S | S | . | * | trans | -157.8 | 64.9 | 171.5 | 16.1 | 0 | 0 | 0 | 0 | 111.5 | N1334 T1335 | T1332-N1334 VanDerWaalsContact C-N 3.3Å; T1332-T1335 HydrophobicContact CG2-CG2 4.44Å | ||
| 1333 | R | 26 | Very low | 32.8 | Very low | 221 Ų | 221 | 118.5 Ų | 118.5 | 83% | 0.834 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -91.4 | 10.8 | 163.3 | -138.7 | 179 | -169.4 | 174 | 3.3 | 113.5 | ||
| 1334 | N | 30.9 | Very low | 32.5 | Very low | 133 Ų | 133 | 118.1 Ų | 118.1 | 71% | 0.711 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -105.9 | 3.9 | -177.4 | -72.4 | 4.9 | 0 | 0 | 0 | 114.3 | T1332 | T1332-N1334 VanDerWaalsContact C-N 3.3Š|
| 1335 | T | 29.2 | Very low | 32.1 | Very low | 75 Ų | 75 | 118.5 Ų | 118.5 | 46% | 0.46 | 60% | 0.601 | S | S | . | * | S | Bend | trans | -90.2 | -37.1 | 174.7 | 35.9 | 0 | 0 | 0 | 0 | 113 | T1332 Y1337 L1338 I1339 | T1332-T1335 HydrophobicContact CG2-CG2 4.44Å; T1335-Y1337 PolarHBondContact O-N 3.1Å; T1335-L1338 PolarHBondContact O-N 3.36Å; T1335-L1338 VanDerWaalsContact O-N 3.16Å; T1335-I1339 PolarHBondContact O-N 2.93Å |
| 1336 | E | 29.8 | Very low | 31.3 | Very low | 146 Ų | 146 | 122.4 Ų | 122.4 | 68% | 0.682 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -67.4 | -35.7 | 178.1 | -71.2 | 178.8 | 152.7 | 0 | 0 | 112.5 | L1338 I1339 | E1336-L1338 PolarHBondContact O-N 3.13Å; E1336-I1339 PolarHBondContact O-N 2.68Å |
| 1337 | Y | 32.7 | Very low | 30.8 | Very low | 170 Ų | 170 | 130.8 Ų | 130.8 | 67% | 0.667 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -66.7 | -14.3 | 174.3 | -166.8 | -102.1 | 0 | 0 | 0 | 114 | T1335 | T1335-Y1337 PolarHBondContact O-N 3.1Å |
| 1338 | L | 32.1 | Very low | 30.5 | Very low | 98 Ų | 98 | 130 Ų | 130 | 51% | 0.513 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -95.2 | -22.5 | 174.7 | -73.5 | 173.5 | 0 | 0 | 0 | 113 | T1335 E1336 V1342 | T1335-L1338 PolarHBondContact O-N 3.36Å; T1335-L1338 VanDerWaalsContact O-N 3.16Å; E1336-L1338 PolarHBondContact O-N 3.13Å; L1338-V1342 VanDerWaalsContact O-CG2 3.29Å; L1338-V1342 WeakPolarHBondContact O-CG2 3.19Å |
| 1339 | I | 30.8 | Very low | 30.4 | Very low | 110 Ų | 110 | 130.2 Ų | 130.2 | 56% | 0.564 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -75 | -42.9 | -178.7 | -68.2 | 169.7 | 0 | 0 | 0 | 110.5 | T1335 E1336 K1341 V1342 | T1335-I1339 PolarHBondContact O-N 2.93Å; E1336-I1339 PolarHBondContact O-N 2.68Å; I1339-K1341 PolarHBondContact O-N 3.08Å; I1339-V1342 PolarHBondContact O-N 2.71Å; I1339-V1342 VanDerWaalsContact O-N 3.12Å |
| 1340 | T | 35.6 | Very low | 30.1 | Very low | 103 Ų | 103 | 131.8 Ų | 131.8 | 63% | 0.632 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.6 | -5.5 | 177.9 | 47.9 | 0 | 0 | 0 | 0 | 115.2 | ||
| 1341 | K | 37.4 | Very low | 29.9 | Very low | 133 Ų | 133 | 132 Ų | 132 | 58% | 0.578 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.8 | 0.2 | 172.1 | -96.7 | -168.3 | 174.3 | -174 | 0 | 115.1 | I1339 | I1339-K1341 PolarHBondContact O-N 3.08Š|
| 1342 | V | 34.5 | Very low | 29.7 | Very low | 96 Ų | 96 | 133.2 Ų | 133.2 | 58% | 0.582 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.6 | -31.4 | 176.3 | 166 | 0 | 0 | 0 | 0 | 111.8 | L1338 I1339 D1344 I1345 S1346 | L1338-V1342 VanDerWaalsContact O-CG2 3.29Å; L1338-V1342 WeakPolarHBondContact O-CG2 3.19Å; I1339-V1342 PolarHBondContact O-N 2.71Å; I1339-V1342 VanDerWaalsContact O-N 3.12Å; V1342-D1344 VanDerWaalsContact C-N 3.3Å; V1342-D1344 PolarHBondContact O-N 3.44Å; V1342-I1345 PolarHBondContact O-N 3.05Å; V1342-I1345 VanDerWaalsContact O-N 3.1Å; V1342-S1346 PolarHBondContact O-N 2.87Å |
| 1343 | D | 34.1 | Very low | 29.5 | Very low | 121 Ų | 121 | 139.6 Ų | 139.6 | 65% | 0.647 | 69% | 0.687 | S | S | * | * | G | 310 helix | trans | -61.9 | -37 | 176.5 | -72.8 | -26.5 | 0 | 0 | 0 | 112.3 | I1345 S1346 | D1343-I1345 PolarHBondContact O-N 2.85Å; D1343-S1346 WeakPolarHBondContact O-CB 3.36Å; D1343-S1346 PolarHBondContact O-N 3.2Å; D1343-S1346 PolarHBondContact O-OG 3.4Å |
| 1344 | D | 36.3 | Very low | 29.4 | Very low | 137 Ų | 137 | 134.2 Ų | 134.2 | 73% | 0.733 | 68% | 0.684 | S | S | * | * | G | 310 helix | trans | -67.6 | -17.5 | 176 | -81.4 | -19.9 | 0 | 0 | 0 | 114.5 | V1342 | V1342-D1344 VanDerWaalsContact C-N 3.3Å; V1342-D1344 PolarHBondContact O-N 3.44Å |
| 1345 | I | 32.5 | Very low | 28.9 | Very low | 115 Ų | 115 | 134.2 Ų | 134.2 | 59% | 0.59 | 68% | 0.683 | S | S | * | * | G | 310 helix | trans | -101.8 | -5.8 | -178.1 | -57.9 | 178.6 | 0 | 0 | 0 | 111.6 | V1342 D1343 K1347 S1348 | V1342-I1345 PolarHBondContact O-N 3.05Å; V1342-I1345 VanDerWaalsContact O-N 3.1Å; D1343-I1345 PolarHBondContact O-N 2.85Å; I1345-K1347 PolarHBondContact O-N 3.3Å; I1345-S1348 PolarHBondContact O-N 3.41Å; I1345-S1348 PolarHBondContact O-OG 3.29Å |
| 1346 | S | 27.7 | Very low | 28.7 | Very low | 100 Ų | 100 | 136.5 Ų | 136.5 | 70% | 0.699 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61 | -11.1 | 175.7 | 68.3 | 0 | 0 | 0 | 0 | 114.9 | V1342 D1343 | V1342-S1346 PolarHBondContact O-N 2.87Å; D1343-S1346 WeakPolarHBondContact O-CB 3.36Å; D1343-S1346 PolarHBondContact O-N 3.2Å; D1343-S1346 PolarHBondContact O-OG 3.4Å |
| 1347 | K | 27.2 | Very low | 28.3 | Very low | 199 Ų | 199 | 131.1 Ų | 131.1 | 87% | 0.865 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90 | -1.7 | 177.5 | -82.5 | -176.6 | 176.9 | 173.3 | 0 | 116.1 | I1345 | I1345-K1347 PolarHBondContact O-N 3.3Š|
| 1348 | S | 26.6 | Very low | 27.9 | Very low | 81 Ų | 81 | 129.7 Ų | 129.7 | 57% | 0.566 | 68% | 0.678 | S | S | * | * | trans | -109.3 | 100.4 | 176.2 | 59.4 | 0 | 0 | 0 | 0 | 113.1 | I1345 I1350 | I1345-S1348 PolarHBondContact O-N 3.41Å; I1345-S1348 PolarHBondContact O-OG 3.29Å; S1348-I1350 PolarHBondContact O-N 2.96Å | ||
| 1349 | Q | 25.8 | Very low | 27.5 | Very low | 184 Ų | 184 | 128.1 Ų | 128.1 | 86% | 0.86 | 67% | 0.668 | S | S | * | * | trans | -59.6 | 116.9 | 168.9 | -64.7 | 172.4 | -24.1 | 0 | 0 | 111.2 | ||||
| 1350 | I | 23.2 | Very low | 27.1 | Very low | 161 Ų | 161 | 128.1 Ų | 128.1 | 83% | 0.826 | 68% | 0.678 | S | S | * | * | trans | -131.8 | 110.5 | 152.1 | -63.2 | -173.8 | 0 | 0 | 0 | 109.1 | S1348 | S1348-I1350 PolarHBondContact O-N 2.96Š| ||
| 1351 | I | 23.5 | Very low | 26.6 | Very low | 138 Ų | 138 | 128.9 Ų | 128.9 | 71% | 0.708 | 69% | 0.687 | S | S | * | * | trans | -74.2 | 127.3 | -179.6 | -71.9 | 167 | 0 | 0 | 0 | 110 | R1353 | I1351-R1353 HydrophobicContact CG2-CG 4.24Š| ||
| 1352 | Q | 21.6 | Very low | 25.8 | Very low | 189 Ų | 189 | 131.6 Ų | 131.6 | 88% | 0.883 | 70% | 0.699 | S | S | * | * | trans | -72.2 | 123.3 | 161.7 | -67.8 | 176.6 | -56.9 | 0 | 0 | 110.2 | ||||
| 1353 | R | 23 | Very low | 25.3 | Very low | 221 Ų | 221 | 136.3 Ų | 136.3 | 83% | 0.834 | 72% | 0.715 | S | S | * | * | trans | -139.9 | 99.4 | 149.9 | -75.9 | -166.6 | 177.4 | 177.5 | -1 | 107.3 | I1351 | I1351-R1353 HydrophobicContact CG2-CG 4.24Š| ||
| 1354 | S | 22.3 | Very low | 24.7 | Very low | 108 Ų | 108 | 138 Ų | 138 | 76% | 0.755 | 72% | 0.723 | S | S | * | * | 65.2 | 89.6 | 84.7 | 73.2 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 1355 | L | 22.2 | Very low | 24 | Very low | 133 Ų | 133 | 140 Ų | 140 | 70% | 0.696 | 73% | 0.732 | S | S | * | * | trans | -101.2 | 121.9 | 162.8 | -96.1 | 163.6 | 0 | 0 | 0 | 108.6 | T1601 | L1355-T1601 VanDerWaalsContact O-CG2 3.23Å; L1355-T1601 WeakPolarHBondContact O-CG2 3.28Å | ||
| 1356 | T | 23.1 | Very low | 23.5 | Very low | 123 Ų | 123 | 141.1 Ų | 141.1 | 76% | 0.755 | 74% | 0.74 | S | S | * | * | trans | -72.5 | -171.8 | 160.3 | 50.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1357 | T | 21.9 | Very low | 23.2 | Very low | 33 Ų | 33 | 143 Ų | 143 | 20% | 0.202 | 75% | 0.747 | C | S | . | * | trans | -147.9 | -172.9 | -141.1 | 39.7 | 0 | 0 | 0 | 0 | 107.6 | E1599 K1600 T1601 | T1357-E1599 VanDerWaalsContact C-CD 3.4Å; T1357-E1599 WeakPolarHBondContact CA-OE2 3.48Å; T1357-E1599 WeakPolarHBondContact CB-OE2 3.39Å; T1357-E1599 HydrophobicContact CG2-CB 4.5Å; T1357-E1599 PolarHBondContact N-OE2 3Å; T1357-E1599 VanDerWaalsContact O-OE2 3.08Å; T1357-E1599 WeakPolarHBondContact OG1-CB 3.34Å; T1357-E1599 PolarHBondContact OG1-OE2 2.74Å; T1357-K1600 WeakPolarHBondContact CG2-O 3.5Å; T1357-T1601 HydrophobicContact CG2-CG2 3.76Å; T1357-T1601 VanDerWaalsContact CG2-N 3.3Å | ||
| 1358 | N | 24 | Very low | 22.9 | Very low | 140 Ų | 140 | 139 Ų | 139 | 75% | 0.749 | 75% | 0.745 | S | S | * | * | trans | -149.6 | 155.8 | 163.8 | -124.5 | -86.1 | 0 | 0 | 0 | 118.7 | E1599 | N1358-E1599 VanDerWaalsContact CA-CD 3.47Å; N1358-E1599 WeakPolarHBondContact CA-OE1 3.18Å; N1358-E1599 PolarHBondContact ND2-OE1 2.84Å; N1358-E1599 VanDerWaalsContact O-CA 3.3Å; N1358-E1599 WeakPolarHBondContact O-CA 3.23Å | ||
| 1359 | E | 23.7 | Very low | 22.7 | Very low | 66 Ų | 66 | 140.3 Ų | 140.3 | 31% | 0.308 | 75% | 0.754 | S | S | . | * | trans | -118.3 | 124.3 | -156.9 | -130.5 | -175.5 | -155.7 | 0 | 0 | 113 | S1597 N1598 E1599 | E1359-S1597 VanDerWaalsContact OE1-C 3.28Å; E1359-S1597 PolarHBondContact OE1-N 3.44Å; E1359-N1598 HydrophobicContact CG-CB 3.22Å; E1359-N1598 WeakPolarHBondContact OE1-CB 3.02Å; E1359-N1598 PolarHBondContact OE1-N 3.19Å; E1359-E1599 HydrophobicContact CB-CG 3.65Å; E1359-E1599 HydrophobicContact CG-CG 3.78Å | ||
| 1360 | S | 23.6 | Very low | 22.6 | Very low | 110 Ų | 110 | 138.4 Ų | 138.4 | 77% | 0.769 | 75% | 0.754 | S | S | * | * | trans | 165.2 | 159.8 | 159.4 | 36.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 1361 | S | 24.7 | Very low | 22.5 | Very low | 118 Ų | 118 | 137.1 Ų | 137.1 | 83% | 0.825 | 76% | 0.758 | S | S | * | * | cis | -143.4 | 166.8 | -10.8 | 36.8 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1362 | K | 20.7 | Very low | 22.3 | Very low | 190 Ų | 190 | 135.1 Ų | 135.1 | 83% | 0.826 | 76% | 0.757 | S | S | * | * | trans | -121.5 | 124.9 | 178.8 | -76.5 | -178.6 | 173.1 | -177.4 | 0 | 110.2 | ||||
| 1363 | E | 22.8 | Very low | 22.4 | Very low | 196 Ų | 196 | 134.6 Ų | 134.6 | 92% | 0.916 | 75% | 0.754 | S | S | * | * | trans | -125 | 148.4 | 158 | -77.7 | -167.1 | 132.9 | 0 | 0 | 111.6 | ||||
| 1364 | L | 22.1 | Very low | 22.4 | Very low | 157 Ų | 157 | 134.3 Ų | 134.3 | 82% | 0.822 | 76% | 0.759 | S | S | * | * | trans | -86.2 | 136.2 | 175.9 | -80.8 | 71.1 | 0 | 0 | 0 | 108.5 | ||||
| 1365 | L | 22.1 | Very low | 22.3 | Very low | 177 Ų | 177 | 136.2 Ų | 136.2 | 93% | 0.927 | 76% | 0.761 | S | S | * | * | trans | -132.4 | 123.9 | 146.9 | -94.3 | 167.5 | 0 | 0 | 0 | 109.7 | ||||
| 1366 | N | 22.5 | Very low | 22.3 | Very low | 139 Ų | 139 | 138.3 Ų | 138.3 | 74% | 0.743 | 77% | 0.767 | S | S | * | * | trans | -68.6 | 148.7 | 164.6 | -73.6 | -34.8 | 0 | 0 | 0 | 108.8 | ||||
| 1367 | T | 20.9 | Very low | 22.3 | Very low | 139 Ų | 139 | 139.2 Ų | 139.2 | 85% | 0.853 | 77% | 0.773 | S | S | * | * | -174.1 | 125.8 | 114.4 | 22.1 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 1368 | S | 20.5 | Very low | 22.4 | Very low | 117 Ų | 117 | 143 Ų | 143 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | -84 | 104.3 | 163.4 | 51.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1369 | S | 22.9 | Very low | 22.3 | Very low | 108 Ų | 108 | 143.7 Ų | 143.7 | 76% | 0.755 | 80% | 0.802 | S | S | * | * | trans | 166.1 | 84.5 | 144 | 58.6 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1370 | V | 23.8 | Very low | 22.4 | Very low | 143 Ų | 143 | 146.9 Ų | 146.9 | 87% | 0.867 | 82% | 0.822 | S | S | * | * | trans | -148.2 | 101.3 | 133.2 | -176.1 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 1371 | C | 20 | Very low | 22.4 | Very low | 135 Ų | 135 | 150.5 Ų | 150.5 | 91% | 0.912 | 83% | 0.827 | S | S | * | * | trans | -139.4 | 73.7 | 178.6 | -158.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1372 | S | 21.1 | Very low | 22.5 | Very low | 96 Ų | 96 | 152 Ų | 152 | 67% | 0.671 | 83% | 0.826 | S | S | * | * | trans | -159.8 | 144.8 | 165.6 | 50.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1373 | Q | 22.5 | Very low | 22.6 | Very low | 177 Ų | 177 | 147.2 Ų | 147.2 | 83% | 0.827 | 82% | 0.821 | S | S | * | * | trans | 67.1 | 75.4 | 172.5 | -57.1 | -179.7 | -17.4 | 0 | 0 | 117.5 | ||||
| 1374 | F | 22.6 | Very low | 22.7 | Very low | 215 Ų | 215 | 144.2 Ų | 144.2 | 94% | 0.943 | 82% | 0.816 | S | S | * | * | trans | -135.7 | 94.6 | 133 | -92.5 | -73.7 | 0 | 0 | 0 | 109.8 | ||||
| 1375 | N | 21.3 | Very low | 22.7 | Very low | 149 Ų | 149 | 142.2 Ų | 142.2 | 80% | 0.797 | 82% | 0.816 | S | S | * | * | trans | -85.3 | 129.5 | 165.4 | -95.7 | -15.1 | 0 | 0 | 0 | 108.8 | ||||
| 1376 | Q | 21.8 | Very low | 22.8 | Very low | 177 Ų | 177 | 139 Ų | 139 | 83% | 0.827 | 80% | 0.799 | S | S | * | * | trans | 41.4 | 96.8 | 146.7 | -64.9 | 177.1 | -32.3 | 0 | 0 | 118.4 | ||||
| 1377 | T | 23.4 | Very low | 22.8 | Very low | 142 Ų | 142 | 138.6 Ų | 138.6 | 87% | 0.871 | 80% | 0.796 | S | S | * | * | trans | -121 | 112.3 | 131.3 | 40.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1378 | S | 23.3 | Very low | 22.9 | Very low | 112 Ų | 112 | 137.8 Ų | 137.8 | 78% | 0.783 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 121.8 | -180 | 50 | 0 | 0 | 0 | 0 | 110.7 | ||
| 1379 | I | 23.1 | Very low | 23 | Very low | 154 Ų | 154 | 137.3 Ų | 137.3 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -91.5 | 130.9 | 168 | -64.6 | 176.9 | 0 | 0 | 0 | 108.7 | ||
| 1380 | D | 24.1 | Very low | 23.1 | Very low | 134 Ų | 134 | 140.5 Ų | 140.5 | 72% | 0.717 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -64 | 130.4 | -166.3 | -81.4 | -54.9 | 0 | 0 | 0 | 115.3 | N1382 | D1380-N1382 PolarHBondContact O-N 3.33Å; D1380-N1382 VanDerWaalsContact O-N 3.14Å |
| 1381 | Q | 25.3 | Very low | 23.1 | Very low | 186 Ų | 186 | 138.3 Ų | 138.3 | 87% | 0.869 | 78% | 0.777 | S | S | * | * | trans | -84.8 | 69.2 | 170.9 | -69.4 | -172.1 | -15.7 | 0 | 0 | 112.2 | A1383 | Q1381-A1383 PolarHBondContact O-N 3.15Š| ||
| 1382 | N | 24.9 | Very low | 23.3 | Very low | 150 Ų | 150 | 138.6 Ų | 138.6 | 80% | 0.802 | 77% | 0.769 | S | S | * | * | trans | -96.7 | 63.5 | 174.1 | -88.8 | -35.7 | 0 | 0 | 0 | 112.9 | D1380 | D1380-N1382 PolarHBondContact O-N 3.33Å; D1380-N1382 VanDerWaalsContact O-N 3.14Å | ||
| 1383 | A | 23.6 | Very low | 23.3 | Very low | 89 Ų | 89 | 143.7 Ų | 143.7 | 74% | 0.736 | 78% | 0.775 | S | S | * | * | trans | -155.5 | 41.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | Q1381 | Q1381-A1383 PolarHBondContact O-N 3.15Š| ||
| 1384 | T | 24.2 | Very low | 23.5 | Very low | 133 Ų | 133 | 144.1 Ų | 144.1 | 82% | 0.816 | 77% | 0.774 | S | S | * | * | trans | -149.2 | 61.4 | 172.2 | 4.5 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1385 | S | 23.3 | Very low | 23.7 | Very low | 115 Ų | 115 | 142.1 Ų | 142.1 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | trans | -89.3 | 95.7 | 165.3 | 44.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1386 | L | 23.2 | Very low | 23.7 | Very low | 110 Ų | 110 | 140.6 Ų | 140.6 | 58% | 0.576 | 77% | 0.767 | S | S | * | * | trans | -124.3 | 142.3 | 166.7 | -97.1 | 164.5 | 0 | 0 | 0 | 110.7 | ||||
| 1387 | L | 23.3 | Very low | 23.8 | Very low | 130 Ų | 130 | 137.4 Ų | 137.4 | 68% | 0.681 | 76% | 0.764 | S | S | * | * | trans | -77.8 | 128.4 | -164.3 | -66.5 | 113.7 | 0 | 0 | 0 | 112.6 | ||||
| 1388 | T | 23.8 | Very low | 23.8 | Very low | 122 Ų | 122 | 139.4 Ų | 139.4 | 75% | 0.748 | 76% | 0.763 | S | S | * | * | trans | -99 | 116.4 | 160.4 | -45.1 | 0 | 0 | 0 | 0 | 107.8 | Q1390 | T1388-Q1390 PolarHBondContact O-N 3.24Å; T1388-Q1390 VanDerWaalsContact O-N 3.16Å | ||
| 1389 | V | 22.3 | Very low | 23.9 | Very low | 107 Ų | 107 | 143 Ų | 143 | 65% | 0.648 | 77% | 0.768 | S | S | * | * | trans | -67.5 | 111.5 | 178.4 | -176.5 | 0 | 0 | 0 | 0 | 109.3 | S1391 | V1389-S1391 PolarHBondContact O-N 3.29Š| ||
| 1390 | Q | 24 | Very low | 23.8 | Very low | 174 Ų | 174 | 144.1 Ų | 144.1 | 81% | 0.813 | 78% | 0.775 | S | S | * | * | trans | -73.8 | 119.1 | 166.2 | -71.8 | 178.7 | -73.3 | 0 | 0 | 108.2 | T1388 | T1388-Q1390 PolarHBondContact O-N 3.24Å; T1388-Q1390 VanDerWaalsContact O-N 3.16Å | ||
| 1391 | S | 23.5 | Very low | 23.7 | Very low | 98 Ų | 98 | 144.5 Ų | 144.5 | 69% | 0.685 | 78% | 0.777 | S | S | * | * | trans | -82.4 | 115.3 | 165.5 | 36.1 | 0 | 0 | 0 | 0 | 108.9 | V1389 Y1393 | V1389-S1391 PolarHBondContact O-N 3.29Å; S1391-Y1393 PolarHBondContact O-N 3.49Å | ||
| 1392 | D | 24.3 | Very low | 23.6 | Very low | 140 Ų | 140 | 141.6 Ų | 141.6 | 75% | 0.749 | 77% | 0.774 | S | S | * | * | trans | -66.7 | 95.1 | -178 | -77.4 | -56.8 | 0 | 0 | 0 | 112.5 | ||||
| 1393 | Y | 22.2 | Very low | 23.4 | Very low | 204 Ų | 204 | 141 Ų | 141 | 80% | 0.8 | 77% | 0.769 | S | S | * | * | trans | -114.1 | 80 | 161.1 | -85.3 | -85.3 | 0 | 0 | 0 | 109.8 | S1391 H1395 | S1391-Y1393 PolarHBondContact O-N 3.49Å; Y1393-H1395 PolarHBondContact O-N 2.71Å | ||
| 1394 | K | 26.2 | Very low | 23.4 | Very low | 185 Ų | 185 | 142.5 Ų | 142.5 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | trans | -69.8 | 98.4 | 168.8 | -80.5 | -175.5 | 177.3 | 175.1 | 0 | 109.8 | C1396 | K1394-C1396 PolarHBondContact O-N 2.87Å; K1394-C1396 VanDerWaalsContact O-N 3.16Å | ||
| 1395 | H | 26 | Very low | 23.8 | Very low | 174 Ų | 174 | 140.7 Ų | 140.7 | 81% | 0.806 | 76% | 0.76 | S | S | * | * | trans | -57 | 115.7 | 163.4 | -83.8 | -83.6 | 0 | 0 | 0 | 109.8 | Y1393 S1397 | Y1393-H1395 PolarHBondContact O-N 2.71Å; H1395-S1397 VanDerWaalsContact C-N 3.27Å; H1395-S1397 PolarHBondContact O-N 3.36Å | ||
| 1396 | C | 21.7 | Very low | 23.8 | Very low | 116 Ų | 116 | 141.7 Ų | 141.7 | 78% | 0.784 | 76% | 0.756 | S | S | * | * | trans | -75.4 | 79 | 171.5 | -69.9 | 0 | 0 | 0 | 0 | 110.2 | K1394 H1398 | K1394-C1396 PolarHBondContact O-N 2.87Å; K1394-C1396 VanDerWaalsContact O-N 3.16Å; C1396-H1398 PolarHBondContact O-N 2.82Å | ||
| 1397 | S | 24.7 | Very low | 23.7 | Very low | 110 Ų | 110 | 143.6 Ų | 143.6 | 77% | 0.769 | 76% | 0.76 | S | S | * | * | trans | -80.5 | 102.1 | 165.8 | 55.6 | 0 | 0 | 0 | 0 | 109.5 | H1395 Q1399 | H1395-S1397 VanDerWaalsContact C-N 3.27Å; H1395-S1397 PolarHBondContact O-N 3.36Å; S1397-Q1399 PolarHBondContact O-N 2.98Å; S1397-Q1399 VanDerWaalsContact O-N 3.13Å | ||
| 1398 | H | 22.7 | Very low | 23.6 | Very low | 184 Ų | 184 | 144.3 Ų | 144.3 | 85% | 0.852 | 76% | 0.758 | S | S | * | * | trans | -66.8 | 108.1 | 172.1 | -74.3 | -87.5 | 0 | 0 | 0 | 110.7 | C1396 | C1396-H1398 PolarHBondContact O-N 2.82Š| ||
| 1399 | Q | 25.1 | Very low | 23.5 | Very low | 187 Ų | 187 | 150.8 Ų | 150.8 | 87% | 0.874 | 77% | 0.769 | S | S | * | * | trans | -126 | 139.2 | 151.1 | -92 | -173.1 | -22.1 | 0 | 0 | 108.9 | S1397 | S1397-Q1399 PolarHBondContact O-N 2.98Å; S1397-Q1399 VanDerWaalsContact O-N 3.13Å | ||
| 1400 | L | 21.5 | Very low | 23.6 | Very low | 178 Ų | 178 | 151.8 Ų | 151.8 | 93% | 0.932 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 137.1 | -168.6 | -76.5 | 147.6 | 0 | 0 | 0 | 112 | ||
| 1401 | N | 21.5 | Very low | 23.5 | Very low | 143 Ų | 143 | 150.9 Ų | 150.9 | 77% | 0.765 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 134.9 | 175.8 | -66.7 | -38.3 | 0 | 0 | 0 | 112 | ||
| 1402 | P | 23.9 | Very low | 23.6 | Very low | 124 Ų | 124 | 154.4 Ų | 154.4 | 81% | 0.805 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 145.4 | 138.2 | 29.9 | -22.3 | 0 | 0 | 0 | 110.2 | ||
| 1403 | I | 21 | Very low | 23.6 | Very low | 137 Ų | 137 | 154.4 Ų | 154.4 | 70% | 0.703 | 77% | 0.765 | S | S | * | * | trans | -104.6 | 113.2 | -153.6 | -78.9 | 166.1 | 0 | 0 | 0 | 113.2 | ||||
| 1404 | T | 23 | Very low | 23.8 | Very low | 122 Ų | 122 | 151.8 Ų | 151.8 | 75% | 0.748 | 76% | 0.764 | S | S | * | * | trans | 61.6 | 178.8 | 143.9 | 72.4 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1405 | P | 33.5 | Very low | 23.8 | Very low | 95 Ų | 95 | 151.8 Ų | 151.8 | 62% | 0.617 | 77% | 0.768 | S | S | * | * | cis | -141.4 | 171.2 | 4.1 | 44.8 | -27.2 | 0 | 0 | 0 | 119.2 | ||||
| 1406 | N | 22.1 | Very low | 23.6 | Very low | 135 Ų | 135 | 152.4 Ų | 152.4 | 72% | 0.722 | 77% | 0.771 | S | S | * | * | trans | 72.7 | 142.5 | 151.6 | -61.9 | -22.8 | 0 | 0 | 0 | 119 | ||||
| 1407 | F | 20.8 | Very low | 23.7 | Very low | 151 Ų | 151 | 152.8 Ų | 152.8 | 66% | 0.662 | 77% | 0.771 | S | S | * | * | cis | -156.7 | 144.5 | 10.3 | -139.9 | -148 | 0 | 0 | 0 | 114.4 | ||||
| 1408 | K | 21.6 | Very low | 23.6 | Very low | 145 Ų | 145 | 155.7 Ų | 155.7 | 63% | 0.63 | 77% | 0.773 | S | S | * | * | trans | 38.7 | 131.5 | 148.9 | -66 | -178.5 | -178.2 | 172.4 | 0 | 122.3 | ||||
| 1409 | W | 21.1 | Very low | 23.5 | Very low | 257 Ų | 257 | 158.2 Ų | 158.2 | 97% | 0.973 | 78% | 0.776 | S | S | * | * | -141.7 | 153.1 | 115.6 | -118.7 | 65.5 | 0 | 0 | 0 | 109.9 | |||||
| 1410 | N | 24.7 | Very low | 23.5 | Very low | 129 Ų | 129 | 158.4 Ų | 158.4 | 69% | 0.69 | 77% | 0.774 | S | S | * | * | trans | -82 | 141.5 | -168.4 | -66.3 | -39 | 0 | 0 | 0 | 111.8 | ||||
| 1411 | K | 22.2 | Very low | 23.5 | Very low | 155 Ų | 155 | 155.7 Ų | 155.7 | 67% | 0.674 | 77% | 0.77 | S | S | * | * | 85.5 | 104.9 | 50.6 | -163.7 | -166.1 | -174.5 | -169.4 | 0 | 113.9 | |||||
| 1412 | H | 26.8 | Very low | 23.6 | Very low | 171 Ų | 171 | 154.9 Ų | 154.9 | 79% | 0.792 | 77% | 0.77 | S | S | * | * | trans | 178 | 97.7 | 142.5 | -99.2 | -74 | 0 | 0 | 0 | 106.8 | ||||
| 1413 | Q | 23 | Very low | 23.6 | Very low | 140 Ų | 140 | 154.9 Ų | 154.9 | 65% | 0.654 | 76% | 0.763 | S | S | * | * | 54.8 | 110.8 | 83.7 | -75.1 | -172 | -52.2 | 0 | 0 | 114.8 | |||||
| 1414 | N | 26.7 | Very low | 23.7 | Very low | 149 Ų | 149 | 155.7 Ų | 155.7 | 80% | 0.797 | 77% | 0.768 | S | S | * | * | -161.5 | 110.8 | 122.3 | -92.8 | -7.1 | 0 | 0 | 0 | 111.4 | |||||
| 1415 | E | 25.3 | Very low | 23.6 | Very low | 186 Ų | 186 | 159.2 Ų | 159.2 | 87% | 0.869 | 77% | 0.773 | S | S | * | * | trans | 45.9 | 102.6 | 141.8 | -57.8 | -178.9 | 167.3 | 0 | 0 | 120.4 | ||||
| 1416 | Q | 23.1 | Very low | 23.1 | Very low | 187 Ų | 187 | 159 Ų | 159 | 87% | 0.874 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -98.9 | 141.6 | 150.4 | -76.8 | -166 | -12.6 | 0 | 0 | 110.1 | ||
| 1417 | P | 22.8 | Very low | 23.2 | Very low | 123 Ų | 123 | 161 Ų | 161 | 80% | 0.799 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 139 | -178 | 30.9 | -34.3 | 0 | 0 | 0 | 112.8 | ||
| 1418 | H | 22.6 | Very low | 23.3 | Very low | 172 Ų | 172 | 161.1 Ų | 161.1 | 80% | 0.796 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 137.2 | 177.2 | -67.9 | -101.9 | 0 | 0 | 0 | 113.3 | ||
| 1419 | Y | 22.4 | Very low | 23.4 | Very low | 237 Ų | 237 | 159.7 Ų | 159.7 | 93% | 0.929 | 80% | 0.8 | S | S | * | * | trans | -132 | 136.1 | 140.2 | -93 | -80.8 | 0 | 0 | 0 | 110.7 | ||||
| 1420 | K | 23.7 | Very low | 23.5 | Very low | 191 Ų | 191 | 151.9 Ų | 151.9 | 83% | 0.83 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -76 | 133 | -163.5 | -68.3 | 171.8 | 176.1 | 174.3 | 0 | 112 | V1422 | K1420-V1422 PolarHBondContact O-N 2.86Š|
| 1421 | S | 22.2 | Very low | 23.8 | Very low | 121 Ų | 121 | 151.7 Ų | 151.7 | 85% | 0.846 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 124.2 | 156.1 | 41.2 | 0 | 0 | 0 | 0 | 109.5 | ||
| 1422 | V | 23 | Very low | 23.9 | Very low | 125 Ų | 125 | 155.3 Ų | 155.3 | 76% | 0.758 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -103.6 | 127.1 | 165.5 | 178.1 | 0 | 0 | 0 | 0 | 107.7 | K1420 | K1420-V1422 PolarHBondContact O-N 2.86Š|
| 1423 | N | 24 | Very low | 23.6 | Very low | 125 Ų | 125 | 152.3 Ų | 152.3 | 67% | 0.668 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -86.8 | 120.1 | -169.7 | -173 | 6 | 0 | 0 | 0 | 110 | F1425 | N1423-F1425 PolarHBondContact OD1-N 2.83Š|
| 1424 | L | 23.3 | Very low | 23.6 | Very low | 153 Ų | 153 | 151.7 Ų | 151.7 | 80% | 0.801 | 82% | 0.815 | S | S | * | * | trans | -106.7 | 46.2 | 174.7 | -112.2 | 87.8 | 0 | 0 | 0 | 112.6 | S1426 | L1424-S1426 VanDerWaalsContact C-N 3.27Å; L1424-S1426 PolarHBondContact O-N 2.88Å | ||
| 1425 | F | 21.3 | Very low | 23.4 | Very low | 196 Ų | 196 | 154.4 Ų | 154.4 | 86% | 0.86 | 82% | 0.82 | S | S | * | * | trans | -85.3 | 69.7 | 156.4 | -92.3 | -76.6 | 0 | 0 | 0 | 110.8 | N1423 | N1423-F1425 PolarHBondContact OD1-N 2.83Š| ||
| 1426 | S | 22.8 | Very low | 23.3 | Very low | 91 Ų | 91 | 150.5 Ų | 150.5 | 64% | 0.636 | 81% | 0.813 | S | S | * | * | trans | -174.1 | 104.1 | 161.4 | 40.7 | 0 | 0 | 0 | 0 | 111.2 | L1424 | L1424-S1426 VanDerWaalsContact C-N 3.27Å; L1424-S1426 PolarHBondContact O-N 2.88Å | ||
| 1427 | L | 24.3 | Very low | 23.4 | Very low | 178 Ų | 178 | 147.4 Ų | 147.4 | 93% | 0.932 | 81% | 0.812 | S | S | * | * | trans | 179.8 | 92.5 | 141.1 | -98.2 | 160.2 | 0 | 0 | 0 | 108.5 | ||||
| 1428 | N | 22.3 | Very low | 23.4 | Very low | 152 Ų | 152 | 148 Ų | 148 | 81% | 0.813 | 81% | 0.807 | S | S | * | * | trans | -75.6 | 154.4 | 171.3 | -81.1 | -30 | 0 | 0 | 0 | 111 | ||||
| 1429 | S | 22.9 | Very low | 23.5 | Very low | 116 Ų | 116 | 145.3 Ų | 145.3 | 81% | 0.811 | 81% | 0.808 | S | S | * | * | trans | 55.1 | 113.2 | 146.9 | 61.4 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1430 | A | 24.3 | Very low | 23.5 | Very low | 92 Ų | 92 | 140 Ų | 140 | 76% | 0.76 | 80% | 0.795 | S | S | * | * | -161 | 145.6 | 115.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 1431 | P | 30.9 | Very low | 23.7 | Very low | 125 Ų | 125 | 139 Ų | 139 | 81% | 0.812 | 80% | 0.799 | S | S | * | * | trans | -96.4 | 144.3 | -168.1 | 36.2 | -33.7 | 0 | 0 | 0 | 114 | ||||
| 1432 | Y | 23.7 | Very low | 23.8 | Very low | 232 Ų | 232 | 140 Ų | 140 | 91% | 0.91 | 80% | 0.795 | S | S | * | * | trans | -91.7 | 121.6 | 168.4 | -83.8 | -85.4 | 0 | 0 | 0 | 111.3 | ||||
| 1433 | S | 22.1 | Very low | 23.9 | Very low | 108 Ų | 108 | 143 Ų | 143 | 76% | 0.755 | 80% | 0.797 | S | S | * | * | trans | -87.8 | 110.5 | -178.4 | 47.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1434 | C | 22.2 | Very low | 23.8 | Very low | 127 Ų | 127 | 142.8 Ų | 142.8 | 86% | 0.858 | 80% | 0.801 | S | S | * | * | trans | -82.4 | 117.2 | 165.9 | -72 | 0 | 0 | 0 | 0 | 109.7 | S1436 | C1434-S1436 PolarHBondContact O-N 2.94Š| ||
| 1435 | K | 23 | Very low | 23.9 | Very low | 205 Ų | 205 | 143.2 Ų | 143.2 | 89% | 0.891 | 80% | 0.802 | S | S | * | * | trans | -70.8 | 114.2 | -174.7 | -66.4 | 175.9 | 178.2 | 176.9 | 0 | 111.5 | ||||
| 1436 | S | 23.2 | Very low | 23.9 | Very low | 105 Ų | 105 | 140.8 Ų | 140.8 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | trans | -86.7 | 105.3 | 162.6 | 42.9 | 0 | 0 | 0 | 0 | 110 | C1434 I1438 | C1434-S1436 PolarHBondContact O-N 2.94Å; S1436-I1438 PolarHBondContact O-N 2.94Å | ||
| 1437 | S | 25.5 | Very low | 24.1 | Very low | 121 Ų | 121 | 144.2 Ų | 144.2 | 85% | 0.846 | 81% | 0.808 | S | S | * | * | trans | -80.3 | 100.5 | 171.7 | 49.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1438 | I | 21.3 | Very low | 24.1 | Very low | 136 Ų | 136 | 143.4 Ų | 143.4 | 70% | 0.697 | 80% | 0.8 | S | S | * | * | trans | -70.7 | 127.9 | 174.5 | -63.9 | 162.8 | 0 | 0 | 0 | 109.6 | S1436 | S1436-I1438 PolarHBondContact O-N 2.94Š| ||
| 1439 | S | 25.7 | Very low | 24.3 | Very low | 116 Ų | 116 | 141.7 Ų | 141.7 | 81% | 0.811 | 80% | 0.799 | S | S | * | * | trans | -123.4 | 98.3 | 158.9 | 60.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 1440 | N | 22 | Very low | 24.4 | Very low | 125 Ų | 125 | 144.4 Ų | 144.4 | 67% | 0.668 | 80% | 0.799 | S | S | * | * | trans | -61.5 | 138.1 | 174.1 | -69.7 | -36.5 | 0 | 0 | 0 | 110.6 | ||||
| 1441 | N | 27.5 | Very low | 24.5 | Very low | 171 Ų | 171 | 149.1 Ų | 149.1 | 91% | 0.914 | 81% | 0.805 | S | S | * | * | trans | -146.1 | 126.5 | 141.1 | -97.9 | -30.7 | 0 | 0 | 0 | 109.5 | ||||
| 1442 | N | 23.7 | Very low | 24.2 | Very low | 141 Ų | 141 | 152.6 Ų | 152.6 | 75% | 0.754 | 81% | 0.811 | S | S | * | * | trans | -95.5 | 170.4 | -172.2 | -78.8 | -48.9 | 0 | 0 | 0 | 111.9 | ||||
| 1443 | K | 25.9 | Very low | 24.4 | Very low | 187 Ų | 187 | 149 Ų | 149 | 81% | 0.813 | 81% | 0.807 | S | S | * | * | trans | 78.6 | 98.9 | 163.7 | -70.1 | 179.2 | 177.3 | -178.3 | 0 | 115.3 | ||||
| 1444 | T | 21.8 | Very low | 24.6 | Very low | 121 Ų | 121 | 152.6 Ų | 152.6 | 74% | 0.742 | 81% | 0.812 | S | S | * | * | 66.7 | 113 | 84.9 | 61 | 0 | 0 | 0 | 0 | 114 | |||||
| 1445 | I | 25.7 | Very low | 24.6 | Very low | 162 Ų | 162 | 154.7 Ų | 154.7 | 83% | 0.831 | 81% | 0.813 | S | S | * | * | -159.2 | 146.4 | 112.5 | -94.7 | 150.4 | 0 | 0 | 0 | 107.5 | |||||
| 1446 | I | 21.9 | Very low | 24.7 | Very low | 146 Ų | 146 | 148.9 Ų | 148.9 | 75% | 0.749 | 80% | 0.798 | S | S | * | * | trans | -90 | 137 | 177.4 | -64.5 | 160.2 | 0 | 0 | 0 | 107.2 | E1448 | I1446-E1448 HydrophobicContact CG2-CG 4.15Š| ||
| 1447 | D | 27 | Very low | 24.6 | Very low | 162 Ų | 162 | 149.3 Ų | 149.3 | 87% | 0.866 | 80% | 0.801 | S | S | * | * | trans | -140 | 129.7 | 155.5 | -117.3 | -28.5 | 0 | 0 | 0 | 108.9 | ||||
| 1448 | E | 22.6 | Very low | 24.7 | Very low | 161 Ų | 161 | 150.2 Ų | 150.2 | 75% | 0.752 | 80% | 0.797 | S | S | * | * | trans | -92.9 | 119.5 | -171.5 | -64 | 177.5 | 138.5 | 0 | 0 | 110.5 | I1446 | I1446-E1448 HydrophobicContact CG2-CG 4.15Š| ||
| 1449 | S | 27 | Very low | 24.8 | Very low | 116 Ų | 116 | 151.2 Ų | 151.2 | 81% | 0.811 | 80% | 0.803 | S | S | * | * | trans | -136.5 | 101.7 | 165.1 | 68.6 | 0 | 0 | 0 | 0 | 110.7 | Q1451 | S1449-Q1451 PolarHBondContact O-N 2.81Š| ||
| 1450 | H | 25.4 | Very low | 24.8 | Very low | 174 Ų | 174 | 153.4 Ų | 153.4 | 81% | 0.806 | 80% | 0.8 | S | S | * | * | trans | -63.3 | 127.2 | -178.6 | -62.6 | -90.9 | 0 | 0 | 0 | 112.8 | ||||
| 1451 | Q | 26.5 | Very low | 24.8 | Very low | 191 Ų | 191 | 157 Ų | 157 | 89% | 0.893 | 81% | 0.805 | S | S | * | * | trans | -135.1 | 133 | 150.2 | -85 | -172.2 | -20.7 | 0 | 0 | 109 | S1449 | S1449-Q1451 PolarHBondContact O-N 2.81Š| ||
| 1452 | E | 25.2 | Very low | 24.7 | Very low | 198 Ų | 198 | 154.7 Ų | 154.7 | 93% | 0.925 | 79% | 0.793 | S | S | * | * | trans | -85.4 | 120 | -172.7 | -64.2 | 179.2 | 129.6 | 0 | 0 | 111.4 | Q1454 | E1452-Q1454 PolarHBondContact O-N 2.81Š| ||
| 1453 | D | 27.8 | Very low | 24.6 | Very low | 155 Ų | 155 | 158 Ų | 158 | 83% | 0.829 | 80% | 0.796 | S | S | * | * | trans | -70.7 | 115.5 | 177.9 | -84.2 | -47.8 | 0 | 0 | 0 | 112.5 | I1455 | D1453-I1455 PolarHBondContact O-N 2.98Å; D1453-I1455 VanDerWaalsContact O-N 3.13Å | ||
| 1454 | Q | 24.8 | Very low | 24.6 | Very low | 185 Ų | 185 | 156.5 Ų | 156.5 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | trans | -72.8 | 100.8 | 164.9 | -70.5 | -174.7 | 1.5 | 0 | 0 | 110.2 | E1452 S1456 | E1452-Q1454 PolarHBondContact O-N 2.81Å; Q1454-S1456 VanDerWaalsContact C-N 3.3Å; Q1454-S1456 PolarHBondContact O-N 3.12Å | ||
| 1455 | I | 23.3 | Very low | 24.6 | Very low | 170 Ų | 170 | 160.9 Ų | 160.9 | 87% | 0.872 | 80% | 0.799 | S | S | * | * | trans | -67.8 | 88.3 | 173 | -57.1 | 176.4 | 0 | 0 | 0 | 109.5 | D1453 | D1453-I1455 PolarHBondContact O-N 2.98Å; D1453-I1455 VanDerWaalsContact O-N 3.13Å | ||
| 1456 | S | 24.1 | Very low | 24.5 | Very low | 83 Ų | 83 | 160.3 Ų | 160.3 | 58% | 0.58 | 80% | 0.797 | S | S | * | * | trans | -87.5 | 127.8 | 167.8 | 61.4 | 0 | 0 | 0 | 0 | 110.2 | Q1454 N1458 | Q1454-S1456 VanDerWaalsContact C-N 3.3Å; Q1454-S1456 PolarHBondContact O-N 3.12Å; S1456-N1458 VanDerWaalsContact C-N 3.33Å; S1456-N1458 PolarHBondContact O-N 2.99Å | ||
| 1457 | S | 22.8 | Very low | 24.6 | Very low | 115 Ų | 115 | 159 Ų | 159 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | trans | -76.1 | 78.7 | -176.1 | 58.6 | 0 | 0 | 0 | 0 | 111.8 | L1459 | S1457-L1459 PolarHBondContact O-N 2.87Å; S1457-L1459 VanDerWaalsContact O-N 3.15Å | ||
| 1458 | N | 25.7 | Very low | 24.5 | Very low | 139 Ų | 139 | 156.6 Ų | 156.6 | 74% | 0.743 | 79% | 0.786 | S | S | * | * | trans | -75.6 | 100.7 | 174.2 | -81 | -38.3 | 0 | 0 | 0 | 111.1 | S1456 H1460 | S1456-N1458 VanDerWaalsContact C-N 3.33Å; S1456-N1458 PolarHBondContact O-N 2.99Å; N1458-H1460 PolarHBondContact O-N 2.91Å; N1458-H1460 VanDerWaalsContact O-N 3.1Å | ||
| 1459 | L | 25.1 | Very low | 24.7 | Very low | 158 Ų | 158 | 156 Ų | 156 | 83% | 0.827 | 79% | 0.788 | S | S | * | * | trans | -59.2 | 108.1 | 163.6 | -85.5 | 146.4 | 0 | 0 | 0 | 109.2 | S1457 Y1461 | S1457-L1459 PolarHBondContact O-N 2.87Å; S1457-L1459 VanDerWaalsContact O-N 3.15Å; L1459-Y1461 PolarHBondContact O-N 2.82Å; L1459-Y1461 VanDerWaalsContact O-N 3.14Å | ||
| 1460 | H | 24.3 | Very low | 24.7 | Very low | 161 Ų | 161 | 156.7 Ų | 156.7 | 75% | 0.745 | 79% | 0.788 | S | S | * | * | trans | -60.5 | 112.1 | -176.3 | -138 | 57.1 | 0 | 0 | 0 | 110.7 | N1458 D1462 | N1458-H1460 PolarHBondContact O-N 2.91Å; N1458-H1460 VanDerWaalsContact O-N 3.1Å; H1460-D1462 IonicContact CD2-OD1 3.72Å; H1460-D1462 PolarHBondContact CD2-OD1 3.18Å; H1460-D1462 IonicContact CD2-OD2 2.88Å; H1460-D1462 IonicContact NE2-OD1 3.47Å; H1460-D1462 PolarHBondContact NE2-OD1 3.46Å | ||
| 1461 | Y | 21.8 | Very low | 24.7 | Very low | 200 Ų | 200 | 155.2 Ų | 155.2 | 78% | 0.784 | 79% | 0.785 | S | S | * | * | trans | -96.8 | 98.1 | 163 | -86.9 | -90.4 | 0 | 0 | 0 | 107.6 | L1459 Y1463 | L1459-Y1461 PolarHBondContact O-N 2.82Å; L1459-Y1461 VanDerWaalsContact O-N 3.14Å; Y1461-Y1463 VanDerWaalsContact C-N 3.29Å; Y1461-Y1463 PolarHBondContact O-N 3.26Å | ||
| 1462 | D | 25.5 | Very low | 24.7 | Very low | 123 Ų | 123 | 154 Ų | 154 | 66% | 0.658 | 78% | 0.784 | S | S | * | * | trans | -68.2 | 86.5 | 174.5 | -77.1 | -50.3 | 0 | 0 | 0 | 110.9 | H1460 L1464 | H1460-D1462 IonicContact CD2-OD1 3.72Å; H1460-D1462 PolarHBondContact CD2-OD1 3.18Å; H1460-D1462 IonicContact CD2-OD2 2.88Å; H1460-D1462 IonicContact NE2-OD1 3.47Å; H1460-D1462 PolarHBondContact NE2-OD1 3.46Å; D1462-L1464 VanDerWaalsContact C-N 3.26Å; D1462-L1464 PolarHBondContact O-N 2.8Å | ||
| 1463 | Y | 22.2 | Very low | 24.7 | Very low | 211 Ų | 211 | 154.1 Ų | 154.1 | 83% | 0.827 | 78% | 0.782 | S | S | * | * | trans | -67.4 | 88.8 | 160 | -89.4 | -93.5 | 0 | 0 | 0 | 108.6 | Y1461 R1465 | Y1461-Y1463 VanDerWaalsContact C-N 3.29Å; Y1461-Y1463 PolarHBondContact O-N 3.26Å; Y1463-R1465 PolarHBondContact O-N 2.98Å | ||
| 1464 | L | 25.5 | Very low | 24.5 | Very low | 156 Ų | 156 | 153.1 Ų | 153.1 | 82% | 0.817 | 78% | 0.781 | S | S | * | * | trans | -64.6 | 81.9 | 165.3 | -78.4 | 171.6 | 0 | 0 | 0 | 109.7 | D1462 L1466 | D1462-L1464 VanDerWaalsContact C-N 3.26Å; D1462-L1464 PolarHBondContact O-N 2.8Å; L1464-L1466 PolarHBondContact O-N 3.02Å | ||
| 1465 | R | 22 | Very low | 24.4 | Very low | 213 Ų | 213 | 152 Ų | 152 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | trans | -70.2 | 81.3 | 168.6 | -173.8 | 177.6 | -176.6 | 165.9 | 1.5 | 108.3 | Y1463 N1467 | Y1463-R1465 PolarHBondContact O-N 2.98Å; R1465-N1467 PolarHBondContact O-N 2.86Å | ||
| 1466 | L | 24.5 | Very low | 24.4 | Very low | 149 Ų | 149 | 150.6 Ų | 150.6 | 78% | 0.78 | 78% | 0.775 | S | S | * | * | trans | -62.1 | 104.5 | 168.8 | -78.1 | 163 | 0 | 0 | 0 | 108.6 | L1464 C1468 | L1464-L1466 PolarHBondContact O-N 3.02Å; L1466-C1468 PolarHBondContact O-N 3.02Å | ||
| 1467 | N | 24.3 | Very low | 24.5 | Very low | 119 Ų | 119 | 155 Ų | 155 | 64% | 0.636 | 79% | 0.786 | S | S | * | * | trans | -65.3 | 118.5 | 167.7 | -86.6 | -7.1 | 0 | 0 | 0 | 108.6 | R1465 D1469 | R1465-N1467 PolarHBondContact O-N 2.86Å; N1467-D1469 PolarHBondContact O-N 2.7Å | ||
| 1468 | C | 24.6 | Very low | 24.6 | Very low | 112 Ų | 112 | 156.5 Ų | 156.5 | 76% | 0.757 | 79% | 0.785 | S | S | * | * | trans | -82 | 21.9 | -178.5 | -67.2 | 0 | 0 | 0 | 0 | 114.3 | L1466 T1470 | L1466-C1468 PolarHBondContact O-N 3.02Å; C1468-T1470 PolarHBondContact O-N 2.65Å | ||
| 1469 | D | 26.4 | Very low | 24.4 | Very low | 148 Ų | 148 | 157.2 Ų | 157.2 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | trans | -93 | 26 | -172.2 | -69.3 | -32.9 | 0 | 0 | 0 | 114.6 | N1467 | N1467-D1469 PolarHBondContact O-N 2.7Š| ||
| 1470 | T | 26.8 | Very low | 24.3 | Very low | 131 Ų | 131 | 157.7 Ų | 157.7 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -133.4 | 35.8 | -179.1 | -31.7 | 0 | 0 | 0 | 0 | 114.1 | C1468 | C1468-T1470 PolarHBondContact O-N 2.65Š|
| 1471 | I | 26.6 | Very low | 24.3 | Very low | 143 Ų | 143 | 157.4 Ų | 157.4 | 73% | 0.733 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -120.4 | -11.9 | 171.5 | -61.5 | -176.8 | 0 | 0 | 0 | 113.2 | K1473 | I1471-K1473 VanDerWaalsContact C-N 3.3Å; I1471-K1473 PolarHBondContact O-N 3.04Å |
| 1472 | N | 25.5 | Very low | 24.5 | Very low | 166 Ų | 166 | 155.4 Ų | 155.4 | 89% | 0.888 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -88.1 | 29.5 | 176 | -79.6 | -11 | 0 | 0 | 0 | 114.9 | ||
| 1473 | K | 25.3 | Very low | 24.2 | Very low | 200 Ų | 200 | 158.6 Ų | 158.6 | 87% | 0.87 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -139.2 | 54.7 | 170.3 | -76.9 | -163.8 | 176.7 | -177.4 | 0 | 113.3 | I1471 | I1471-K1473 VanDerWaalsContact C-N 3.3Å; I1471-K1473 PolarHBondContact O-N 3.04Å |
| 1474 | T | 24.6 | Very low | 24.3 | Very low | 134 Ų | 134 | 156 Ų | 156 | 82% | 0.822 | 80% | 0.803 | S | S | * | * | trans | -150.7 | 63.2 | 156.7 | 20.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1475 | L | 21.9 | Very low | 24.3 | Very low | 160 Ų | 160 | 156.9 Ų | 156.9 | 84% | 0.838 | 81% | 0.808 | S | S | * | * | trans | -102.6 | 166.4 | 146.1 | -137.8 | 80.1 | 0 | 0 | 0 | 107.3 | ||||
| 1476 | D | 23.1 | Very low | 24.3 | Very low | 142 Ų | 142 | 154.6 Ų | 154.6 | 76% | 0.759 | 81% | 0.81 | S | S | * | * | trans | 71.9 | 73.4 | 178.5 | -53 | -19.9 | 0 | 0 | 0 | 116.3 | ||||
| 1477 | H | 25.6 | Very low | 24.3 | Very low | 176 Ų | 176 | 157.3 Ų | 157.3 | 82% | 0.815 | 82% | 0.816 | S | S | * | * | S | Bend | -155.6 | 144.4 | 118.2 | -119.8 | -77 | 0 | 0 | 0 | 113 | |||
| 1478 | N | 26 | Very low | 24.3 | Very low | 146 Ų | 146 | 155.2 Ų | 155.2 | 78% | 0.781 | 82% | 0.822 | S | S | * | * | trans | 81 | 74.6 | 166.5 | -51.7 | -14.1 | 0 | 0 | 0 | 117 | ||||
| 1479 | I | 20.7 | Very low | 24.3 | Very low | 153 Ų | 153 | 157.6 Ų | 157.6 | 79% | 0.785 | 83% | 0.828 | S | S | * | * | trans | -69.3 | 159.2 | 148.2 | -73.4 | 169 | 0 | 0 | 0 | 109.7 | ||||
| 1480 | E | 22.9 | Very low | 24.1 | Very low | 169 Ų | 169 | 156.6 Ų | 156.6 | 79% | 0.79 | 83% | 0.827 | S | S | * | * | trans | 65.9 | 101.3 | 167.5 | -82.1 | 164.9 | 170.9 | 0 | 0 | 117.9 | ||||
| 1481 | N | 25 | Very low | 23.8 | Very low | 154 Ų | 154 | 160.7 Ų | 160.7 | 82% | 0.824 | 83% | 0.828 | S | S | * | * | -167.6 | 170.9 | 103.1 | -92.5 | -53.7 | 0 | 0 | 0 | 111.2 | |||||
| 1482 | D | 25.7 | Very low | 23.8 | Very low | 158 Ų | 158 | 161.2 Ų | 161.2 | 85% | 0.845 | 83% | 0.832 | S | S | * | * | trans | 80.7 | 37.3 | 170.7 | -56.5 | -15.7 | 0 | 0 | 0 | 119.2 | N1484 | D1482-N1484 PolarHBondContact O-N 2.94Š| ||
| 1483 | E | 19.9 | Very low | 23.8 | Very low | 190 Ų | 190 | 159.3 Ų | 159.3 | 89% | 0.888 | 82% | 0.822 | S | S | * | * | trans | -79.9 | 93.5 | 136.3 | -83.2 | -155.3 | 160.3 | 0 | 0 | 109.5 | ||||
| 1484 | N | 23.6 | Very low | 23.6 | Very low | 156 Ų | 156 | 156.1 Ų | 156.1 | 83% | 0.834 | 81% | 0.813 | S | S | * | * | trans | -177.4 | 96.7 | 151.1 | -99.6 | -47.5 | 0 | 0 | 0 | 111.2 | D1482 | D1482-N1484 PolarHBondContact O-N 2.94Š| ||
| 1485 | L | 25.4 | Very low | 23.5 | Very low | 176 Ų | 176 | 156.5 Ų | 156.5 | 92% | 0.921 | 81% | 0.81 | S | S | * | * | trans | -173.7 | 58.9 | 147.4 | -103.1 | 162.2 | 0 | 0 | 0 | 111.6 | ||||
| 1486 | L | 23 | Very low | 23.6 | Very low | 164 Ų | 164 | 157.1 Ų | 157.1 | 86% | 0.859 | 81% | 0.814 | S | S | * | * | trans | -91.1 | 142.2 | 157.5 | -84 | 169.6 | 0 | 0 | 0 | 109.7 | ||||
| 1487 | K | 22.5 | Very low | 23.6 | Very low | 206 Ų | 206 | 158.9 Ų | 158.9 | 90% | 0.896 | 82% | 0.818 | S | S | * | * | trans | 101.2 | 99.6 | 169.9 | -57.8 | 166.3 | -176.9 | 172.8 | 0 | 116.2 | ||||
| 1488 | G | 25.7 | Very low | 23.4 | Very low | 75 Ų | 75 | 158 Ų | 158 | 77% | 0.773 | 82% | 0.818 | S | S | * | * | trans | -144.3 | 130.5 | 157.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1489 | N | 24.5 | Very low | 23.2 | Very low | 163 Ų | 163 | 158 Ų | 158 | 87% | 0.872 | 82% | 0.817 | S | S | * | * | trans | -82.4 | 158.5 | -159.6 | -83.6 | -31.6 | 0 | 0 | 0 | 115.9 | ||||
| 1490 | T | 22.6 | Very low | 23.2 | Very low | 127 Ų | 127 | 155.5 Ų | 155.5 | 78% | 0.779 | 81% | 0.812 | S | S | * | * | trans | -53.3 | 160.7 | 170.3 | 53.2 | 0 | 0 | 0 | 0 | 116 | ||||
| 1491 | R | 20.2 | Very low | 23.2 | Very low | 217 Ų | 217 | 155.5 Ų | 155.5 | 82% | 0.819 | 81% | 0.811 | S | S | * | * | trans | 101.2 | 112.2 | 140.3 | -157.1 | -179.5 | -160.3 | 154.4 | 2 | 116.9 | ||||
| 1492 | N | 26.5 | Very low | 23 | Very low | 153 Ų | 153 | 155.5 Ų | 155.5 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | -170.5 | 162.6 | 123.3 | -92.5 | -11.3 | 0 | 0 | 0 | 111.5 | |||||
| 1493 | D | 24.6 | Very low | 22.9 | Very low | 126 Ų | 126 | 155.2 Ų | 155.2 | 67% | 0.674 | 81% | 0.808 | S | S | * | * | trans | -95.3 | 145 | -156 | -73.1 | -68.1 | 0 | 0 | 0 | 115.9 | ||||
| 1494 | I | 22 | Very low | 23.1 | Very low | 133 Ų | 133 | 154.7 Ų | 154.7 | 68% | 0.682 | 81% | 0.806 | S | S | * | * | 51.8 | 132.4 | 127.1 | -58.3 | 173.4 | 0 | 0 | 0 | 120.7 | |||||
| 1495 | N | 21.3 | Very low | 23.1 | Very low | 142 Ų | 142 | 155.3 Ų | 155.3 | 76% | 0.759 | 81% | 0.809 | S | S | * | * | trans | 69.4 | 111.2 | 161.6 | -70.3 | -15.1 | 0 | 0 | 0 | 118.4 | ||||
| 1496 | D | 25.4 | Very low | 22.9 | Very low | 173 Ų | 173 | 153.8 Ų | 153.8 | 93% | 0.925 | 80% | 0.802 | S | S | * | * | -146.2 | 145 | 123.2 | -108.2 | -34.6 | 0 | 0 | 0 | 111.3 | |||||
| 1497 | Q | 23.2 | Very low | 23 | Very low | 179 Ų | 179 | 155.4 Ų | 155.4 | 84% | 0.836 | 80% | 0.802 | S | S | * | * | trans | -91.7 | 155.3 | -172.4 | -73.2 | -176.2 | -11.4 | 0 | 0 | 113.1 | I1499 | Q1497-I1499 PolarHBondContact O-N 3.33Š| ||
| 1498 | L | 21 | Very low | 23 | Very low | 157 Ų | 157 | 153.8 Ų | 153.8 | 82% | 0.822 | 80% | 0.802 | S | S | * | * | trans | -61.1 | 127.2 | 176.9 | -73.6 | 77.6 | 0 | 0 | 0 | 111.7 | ||||
| 1499 | I | 21.5 | Very low | 22.8 | Very low | 148 Ų | 148 | 157.8 Ų | 157.8 | 76% | 0.759 | 81% | 0.805 | S | S | * | * | trans | -107.4 | 98.3 | 154.5 | -63.8 | 178.7 | 0 | 0 | 0 | 107.9 | Q1497 H1501 | Q1497-I1499 PolarHBondContact O-N 3.33Å; I1499-H1501 PolarHBondContact O-N 3.19Å | ||
| 1500 | C | 20.7 | Very low | 22.7 | Very low | 100 Ų | 100 | 159.2 Ų | 159.2 | 68% | 0.676 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 120.9 | 172.9 | -64.4 | 0 | 0 | 0 | 0 | 109.9 | ||
| 1501 | H | 22.1 | Very low | 22.7 | Very low | 168 Ų | 168 | 159.7 Ų | 159.7 | 78% | 0.778 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 122.7 | 172.2 | -96.3 | 49.1 | 0 | 0 | 0 | 111.1 | I1499 | I1499-H1501 PolarHBondContact O-N 3.19Š|
| 1502 | N | 21.6 | Very low | 22.8 | Very low | 154 Ų | 154 | 155.2 Ų | 155.2 | 82% | 0.824 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 135.1 | 164.8 | -74.2 | -30.8 | 0 | 0 | 0 | 109.5 | ||
| 1503 | I | 22.7 | Very low | 22.5 | Very low | 152 Ų | 152 | 156.2 Ų | 156.2 | 78% | 0.779 | 81% | 0.808 | S | S | * | * | trans | -120.7 | 112.4 | 165.3 | -62.6 | 179.7 | 0 | 0 | 0 | 106.8 | ||||
| 1504 | E | 25.4 | Very low | 22.5 | Very low | 179 Ų | 179 | 158.6 Ų | 158.6 | 84% | 0.836 | 82% | 0.815 | S | S | * | * | trans | -73.1 | 135.6 | -175.8 | -67.9 | 173.3 | 129.2 | 0 | 0 | 111.3 | D1506 | E1504-D1506 PolarHBondContact O-N 3.09Š| ||
| 1505 | N | 22.7 | Very low | 22.4 | Very low | 170 Ų | 170 | 155.8 Ų | 155.8 | 91% | 0.909 | 82% | 0.819 | S | S | * | * | trans | -89.7 | 84.6 | 179.4 | -77.7 | -71.7 | 0 | 0 | 0 | 110.4 | ||||
| 1506 | D | 22.8 | Very low | 22.6 | Very low | 144 Ų | 144 | 158.6 Ų | 158.6 | 77% | 0.77 | 83% | 0.827 | S | S | * | * | trans | -119.4 | 103.8 | 179.9 | -133.1 | -0.2 | 0 | 0 | 0 | 112.3 | E1504 | E1504-D1506 PolarHBondContact O-N 3.09Š| ||
| 1507 | K | 24.9 | Very low | 22.4 | Very low | 197 Ų | 197 | 156.8 Ų | 156.8 | 86% | 0.857 | 82% | 0.823 | S | S | * | * | trans | 175.1 | 67.8 | 153.8 | -98.5 | 159.3 | -171.4 | 174.8 | 0 | 111.5 | L1509 | K1507-L1509 PolarHBondContact O-N 3.35Š| ||
| 1508 | L | 22.2 | Very low | 22.4 | Very low | 172 Ų | 172 | 156.8 Ų | 156.8 | 90% | 0.901 | 83% | 0.826 | S | S | * | * | trans | -84.9 | 87.6 | 170.5 | -147.1 | 145.6 | 0 | 0 | 0 | 108.7 | K1510 | L1508-K1510 PolarHBondContact O-N 3.12Š| ||
| 1509 | L | 22 | Very low | 22.3 | Very low | 160 Ų | 160 | 155.4 Ų | 155.4 | 84% | 0.838 | 82% | 0.82 | S | S | * | * | trans | -77 | 121.7 | -176.7 | -106.2 | 164.9 | 0 | 0 | 0 | 111.5 | K1507 | K1507-L1509 PolarHBondContact O-N 3.35Š| ||
| 1510 | K | 22.2 | Very low | 22.5 | Very low | 192 Ų | 192 | 157.2 Ų | 157.2 | 84% | 0.835 | 83% | 0.825 | S | S | * | * | trans | -64.3 | 134.5 | 179.9 | -63 | 167.2 | 176.6 | 174.3 | 0 | 111.5 | L1508 | L1508-K1510 PolarHBondContact O-N 3.12Š| ||
| 1511 | T | 22 | Very low | 22.4 | Very low | 138 Ų | 138 | 156.6 Ų | 156.6 | 85% | 0.847 | 82% | 0.822 | S | S | * | * | trans | -123.4 | 119.4 | 149 | 45.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1512 | T | 21.9 | Very low | 22.4 | Very low | 122 Ų | 122 | 159.7 Ų | 159.7 | 75% | 0.748 | 83% | 0.828 | S | S | * | * | trans | -50.3 | 133.1 | -176.6 | 31.3 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1513 | L | 21 | Very low | 22.4 | Very low | 175 Ų | 175 | 161.7 Ų | 161.7 | 92% | 0.916 | 83% | 0.83 | S | S | * | * | trans | -107 | 94.9 | 155.5 | -92.3 | 160.2 | 0 | 0 | 0 | 107.4 | ||||
| 1514 | E | 24.2 | Very low | 22.3 | Very low | 176 Ų | 176 | 164 Ų | 164 | 82% | 0.822 | 84% | 0.84 | S | S | * | * | trans | -72.5 | 143 | 153.2 | -63.3 | 165.7 | 177.3 | 0 | 0 | 106.8 | ||||
| 1515 | G | 20.8 | Very low | 22.1 | Very low | 73 Ų | 73 | 163 Ų | 163 | 75% | 0.753 | 84% | 0.84 | S | S | * | * | cis | 145.7 | 64.7 | 1.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1516 | E | 25.2 | Very low | 22.4 | Very low | 201 Ų | 201 | 160.1 Ų | 160.1 | 94% | 0.939 | 83% | 0.83 | S | S | * | * | trans | -146.4 | 130.7 | 170.6 | -120 | 172.8 | -146.3 | 0 | 0 | 111.8 | ||||
| 1517 | T | 20.4 | Very low | 22.4 | Very low | 135 Ų | 135 | 162.9 Ų | 162.9 | 83% | 0.828 | 84% | 0.836 | S | S | * | * | trans | -110.4 | 132 | -172.5 | 46.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1518 | I | 22.8 | Very low | 22.2 | Very low | 179 Ų | 179 | 162.6 Ų | 162.6 | 92% | 0.918 | 84% | 0.835 | S | S | * | * | trans | -132.1 | 130.3 | 148.3 | -62 | -174 | 0 | 0 | 0 | 109.2 | ||||
| 1519 | D | 20.4 | Very low | 22.1 | Very low | 129 Ų | 129 | 160.1 Ų | 160.1 | 69% | 0.69 | 82% | 0.821 | S | S | * | * | trans | -91 | 144.4 | -175.2 | -177.1 | 13 | 0 | 0 | 0 | 111 | ||||
| 1520 | Q | 24.1 | Very low | 22 | Very low | 186 Ų | 186 | 161 Ų | 161 | 87% | 0.869 | 81% | 0.814 | S | S | * | * | trans | -164.7 | 107.3 | 143.3 | -112.6 | 168.6 | 43.3 | 0 | 0 | 112.2 | ||||
| 1521 | S | 19.8 | Very low | 22 | Very low | 86 Ų | 86 | 162.3 Ų | 162.3 | 60% | 0.601 | 82% | 0.82 | S | S | * | * | trans | -69.9 | 138.2 | 174.2 | 63.2 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1522 | Y | 20.7 | Very low | 22 | Very low | 233 Ų | 233 | 160.7 Ų | 160.7 | 91% | 0.914 | 81% | 0.814 | S | S | * | * | trans | -138.8 | 116.3 | 142.4 | -94.5 | -76.4 | 0 | 0 | 0 | 111.5 | ||||
| 1523 | K | 21.6 | Very low | 21.9 | Very low | 197 Ų | 197 | 161.4 Ų | 161.4 | 86% | 0.857 | 81% | 0.813 | S | S | * | * | trans | -82.7 | 142 | 172.6 | -67.5 | 168.2 | 176.6 | 167.4 | 0 | 109.4 | ||||
| 1524 | M | 21.1 | Very low | 22 | Very low | 201 Ų | 201 | 160.5 Ų | 160.5 | 99% | 0.99 | 80% | 0.804 | S | S | * | * | trans | -141.8 | 141.1 | 145.5 | -118.2 | -167.9 | 176.7 | 0 | 0 | 112.4 | ||||
| 1525 | N | 21.5 | Very low | 21.9 | Very low | 158 Ų | 158 | 153.3 Ų | 153.3 | 85% | 0.845 | 77% | 0.771 | S | S | * | * | trans | -114.5 | 147.1 | -161.5 | -143 | 2.8 | 0 | 0 | 0 | 109.5 | ||||
| 1526 | P | 30 | Very low | 22 | Very low | 108 Ų | 108 | 155.4 Ų | 155.4 | 70% | 0.701 | 77% | 0.765 | S | S | * | * | trans | -92 | 139.4 | -171.2 | 34.8 | -32 | 0 | 0 | 0 | 113.5 | ||||
| 1527 | K | 21.2 | Very low | 21.9 | Very low | 203 Ų | 203 | 150.7 Ų | 150.7 | 88% | 0.883 | 75% | 0.746 | S | S | * | * | trans | -171.9 | 104.6 | 159.2 | -99 | 153.5 | -173.6 | -174.5 | 0 | 106.1 | ||||
| 1528 | K | 20.6 | Very low | 22.1 | Very low | 191 Ų | 191 | 150.9 Ų | 150.9 | 83% | 0.83 | 74% | 0.742 | S | S | * | * | cis | 79.7 | 131 | 47.9 | -155 | -170.2 | -171.5 | -178.9 | 0 | 111.8 | ||||
| 1529 | I | 20.1 | Very low | 22.1 | Very low | 120 Ų | 120 | 148.7 Ų | 148.7 | 62% | 0.615 | 73% | 0.732 | S | S | * | * | trans | 64.4 | 146.1 | 175.6 | -10.3 | 173.3 | 0 | 0 | 0 | 113 | ||||
| 1530 | Y | 21.4 | Very low | 22.2 | Very low | 179 Ų | 179 | 148.8 Ų | 148.8 | 70% | 0.702 | 73% | 0.733 | S | S | * | * | cis | -143.4 | 158.6 | 11.5 | -71.6 | -102.3 | 0 | 0 | 0 | 109.6 | ||||
| 1531 | F | 21.9 | Very low | 22.2 | Very low | 219 Ų | 219 | 148.9 Ų | 148.9 | 96% | 0.961 | 73% | 0.73 | S | S | * | * | trans | -152.2 | 119.1 | 131.9 | -77.7 | -58.3 | 0 | 0 | 0 | 109.9 | ||||
| 1532 | S | 20.4 | Very low | 22.3 | Very low | 103 Ų | 103 | 152 Ų | 152 | 72% | 0.72 | 74% | 0.74 | S | S | * | * | trans | -85.3 | 141.6 | -176.8 | 50.4 | 0 | 0 | 0 | 0 | 111.8 | H1534 | S1532-H1534 PolarHBondContact O-N 3.36Š| ||
| 1533 | L | 20.1 | Very low | 22.3 | Very low | 138 Ų | 138 | 145 Ų | 145 | 72% | 0.723 | 73% | 0.725 | S | S | * | * | trans | -55.2 | 131.8 | 161.4 | -76.7 | 76.3 | 0 | 0 | 0 | 109 | ||||
| 1534 | H | 22.9 | Very low | 22.2 | Very low | 155 Ų | 155 | 143.1 Ų | 143.1 | 72% | 0.718 | 72% | 0.724 | S | S | * | * | trans | -121 | 88.1 | 159.4 | -142.6 | 58.8 | 0 | 0 | 0 | 110 | S1532 N1536 | S1532-H1534 PolarHBondContact O-N 3.36Å; H1534-N1536 PolarHBondContact O-N 3.47Å | ||
| 1535 | N | 22.8 | Very low | 22.5 | Very low | 25 Ų | 25 | 143.8 Ų | 143.8 | 13% | 0.134 | 72% | 0.722 | C | S | . | * | trans | -59 | 126.4 | 160.9 | -179 | 26.5 | 0 | 0 | 0 | 109.2 | H945 I946 V947 | H945-N1535 HydrophobicContact CB-CB 4.41Å; H945-N1535 VanDerWaalsContact CB-ND2 3.27Å; H945-N1535 WeakPolarHBondContact CB-ND2 3.38Å; H945-N1535 PolarHBondContact ND1-ND2 3.3Å; I946-N1535 WeakPolarHBondContact O-CB 3.38Å; I946-N1535 PolarHBondContact O-OD1 2.96Å; I946-N1535 VanDerWaalsContact O-OD1 3.14Å; V947-N1535 WeakPolarHBondContact CB-OD1 3.38Å; V947-N1535 VanDerWaalsContact CG2-OD1 3.23Å; V947-N1535 WeakPolarHBondContact CG2-OD1 3.42Å | ||
| 1536 | N | 23.6 | Very low | 22.6 | Very low | 118 Ų | 118 | 145.4 Ų | 145.4 | 63% | 0.631 | 72% | 0.721 | S | S | * | * | trans | -154.9 | 144.5 | 145.8 | -114.6 | -37.4 | 0 | 0 | 0 | 114.1 | H1534 | H1534-N1536 PolarHBondContact O-N 3.47Š| ||
| 1537 | N | 23.5 | Very low | 22.2 | Very low | 102 Ų | 102 | 150.4 Ų | 150.4 | 55% | 0.545 | 73% | 0.732 | S | S | . | * | trans | -77.5 | 171.2 | 176.1 | -73.5 | -51.4 | 0 | 0 | 0 | 111.8 | ||||
| 1538 | N | 23.1 | Very low | 22.2 | Very low | 139 Ų | 139 | 148 Ų | 148 | 74% | 0.743 | 73% | 0.729 | S | S | * | * | trans | 90.3 | 124.4 | 151.4 | -64.9 | -19 | 0 | 0 | 0 | 120 | ||||
| 1539 | N | 23.7 | Very low | 22.5 | Very low | 132 Ų | 132 | 146.8 Ų | 146.8 | 71% | 0.706 | 73% | 0.726 | S | S | * | * | trans | 94.8 | 113.3 | 136.2 | -66.7 | -11.9 | 0 | 0 | 0 | 121.6 | ||||
| 1540 | N | 23 | Very low | 22.8 | Very low | 131 Ų | 131 | 149 Ų | 149 | 70% | 0.701 | 73% | 0.734 | S | S | * | * | trans | 86.9 | 120.5 | 133.3 | -70.6 | -29.7 | 0 | 0 | 0 | 121.6 | ||||
| 1541 | K | 22.4 | Very low | 22.8 | Very low | 188 Ų | 188 | 148.3 Ų | 148.3 | 82% | 0.817 | 74% | 0.741 | S | S | * | * | trans | 63.4 | 127.9 | 146.5 | -60.9 | 175.3 | 179.5 | 178.5 | 0 | 115.7 | ||||
| 1542 | L | 21.6 | Very low | 22.7 | Very low | 152 Ų | 152 | 148.3 Ų | 148.3 | 80% | 0.796 | 74% | 0.736 | S | S | * | * | -169.9 | 151.4 | 62.2 | -157 | 72.3 | 0 | 0 | 0 | 113.2 | |||||
| 1543 | S | 20.9 | Very low | 22.9 | Very low | 87 Ų | 87 | 152.7 Ų | 152.7 | 61% | 0.608 | 74% | 0.742 | S | S | * | * | trans | 49 | 111.3 | 148.1 | 59.6 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 1544 | N | 20.8 | Very low | 23 | Very low | 157 Ų | 157 | 151.9 Ų | 151.9 | 84% | 0.84 | 75% | 0.745 | S | S | * | * | 51.2 | 109 | 120.4 | -62.9 | -22.4 | 0 | 0 | 0 | 121.9 | |||||
| 1545 | K | 27.5 | Very low | 23 | Very low | 215 Ų | 215 | 151.1 Ų | 151.1 | 94% | 0.935 | 75% | 0.752 | S | S | * | * | -157.4 | 151.4 | 107.1 | -108.1 | 168.3 | -175.3 | 177.3 | 0 | 111.7 | |||||
| 1546 | K | 23.3 | Very low | 23 | Very low | 191 Ų | 191 | 158.8 Ų | 158.8 | 83% | 0.83 | 78% | 0.784 | S | S | * | * | trans | -89.8 | 127.6 | -162.1 | -64.2 | 171.6 | 176.3 | 176.4 | 0 | 113 | ||||
| 1547 | F | 21.1 | Very low | 22.9 | Very low | 214 Ų | 214 | 158.4 Ų | 158.4 | 94% | 0.939 | 79% | 0.79 | S | S | * | * | trans | -146.2 | 112 | 142.2 | -104.7 | -82.3 | 0 | 0 | 0 | 107.2 | ||||
| 1548 | N | 22.2 | Very low | 22.8 | Very low | 151 Ų | 151 | 159.9 Ų | 159.9 | 81% | 0.807 | 80% | 0.798 | S | S | * | * | trans | -129.3 | 111.5 | -173.8 | -99.8 | -16.9 | 0 | 0 | 0 | 110 | ||||
| 1549 | H | 26.2 | Very low | 22.9 | Very low | 167 Ų | 167 | 160.4 Ų | 160.4 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | trans | -153 | 92.8 | 137.3 | -119.6 | -71.6 | 0 | 0 | 0 | 112.3 | ||||
| 1550 | Q | 25.4 | Very low | 22.8 | Very low | 166 Ų | 166 | 160.9 Ų | 160.9 | 78% | 0.776 | 80% | 0.803 | S | S | * | * | trans | 54.2 | 93.4 | 144.5 | -68.7 | 172 | -17.1 | 0 | 0 | 119.4 | ||||
| 1551 | L | 22.4 | Very low | 22.8 | Very low | 164 Ų | 164 | 161 Ų | 161 | 86% | 0.859 | 80% | 0.804 | S | S | * | * | trans | -54.8 | 152.2 | 154.3 | -81.9 | 149.6 | 0 | 0 | 0 | 113.8 | ||||
| 1552 | Y | 20.6 | Very low | 23 | Very low | 219 Ų | 219 | 158.6 Ų | 158.6 | 86% | 0.859 | 80% | 0.8 | S | S | * | * | trans | -22.4 | 129.4 | 155.1 | -84.5 | -105.9 | 0 | 0 | 0 | 115.6 | ||||
| 1553 | K | 22.9 | Very low | 23.1 | Very low | 195 Ų | 195 | 158.2 Ų | 158.2 | 85% | 0.848 | 80% | 0.798 | S | S | * | * | trans | -90.5 | 124 | 148.6 | -80.1 | -177 | 175.5 | 177.4 | 0 | 108.6 | T1555 | K1553-T1555 PolarHBondContact O-N 2.97Š| ||
| 1554 | P | 22.3 | Very low | 23.2 | Very low | 121 Ų | 121 | 160.8 Ų | 160.8 | 79% | 0.786 | 80% | 0.804 | S | S | * | * | trans | -75.8 | 107 | 176 | 29.9 | -32.2 | 0 | 0 | 0 | 109.7 | K1556 | P1554-K1556 PolarHBondContact O-N 3.26Š| ||
| 1555 | T | 22.6 | Very low | 23.3 | Very low | 140 Ų | 140 | 162.8 Ų | 162.8 | 86% | 0.859 | 81% | 0.805 | S | S | * | * | trans | -68.7 | 129.3 | 169.2 | 25.4 | 0 | 0 | 0 | 0 | 109.8 | K1553 | K1553-T1555 PolarHBondContact O-N 2.97Š| ||
| 1556 | K | 24.1 | Very low | 23 | Very low | 186 Ų | 186 | 162.6 Ų | 162.6 | 81% | 0.809 | 80% | 0.8 | S | S | * | * | trans | -53.1 | 137.4 | -171.7 | -67.1 | 172.1 | 176 | 177.3 | 0 | 112 | P1554 N1558 | P1554-K1556 PolarHBondContact O-N 3.26Å; K1556-N1558 VanDerWaalsContact C-N 3.3Å; K1556-N1558 PolarHBondContact O-N 2.78Å | ||
| 1557 | S | 20.8 | Very low | 23 | Very low | 109 Ų | 109 | 162.5 Ų | 162.5 | 76% | 0.762 | 80% | 0.8 | S | S | * | * | trans | -64.4 | 87.8 | 163.6 | 53.8 | 0 | 0 | 0 | 0 | 110.2 | N1559 | S1557-N1559 PolarHBondContact O-N 3.2Š| ||
| 1558 | N | 22.8 | Very low | 23.1 | Very low | 134 Ų | 134 | 159.6 Ų | 159.6 | 72% | 0.717 | 79% | 0.793 | S | S | * | * | trans | -71.4 | 109.9 | 163.4 | -84 | -1.6 | 0 | 0 | 0 | 108 | K1556 L1560 | K1556-N1558 VanDerWaalsContact C-N 3.3Å; K1556-N1558 PolarHBondContact O-N 2.78Å; N1558-L1560 VanDerWaalsContact C-N 3.27Å; N1558-L1560 PolarHBondContact O-N 2.79Å | ||
| 1559 | N | 23.5 | Very low | 23.1 | Very low | 149 Ų | 149 | 158.9 Ų | 158.9 | 80% | 0.797 | 79% | 0.788 | S | S | * | * | trans | -63.7 | 85.4 | 170.3 | -78.2 | -28.3 | 0 | 0 | 0 | 110.1 | S1557 N1561 | S1557-N1559 PolarHBondContact O-N 3.2Å; N1559-N1561 PolarHBondContact O-N 2.84Å | ||
| 1560 | L | 22.7 | Very low | 22.9 | Very low | 143 Ų | 143 | 158.3 Ų | 158.3 | 75% | 0.749 | 79% | 0.791 | S | S | * | * | trans | -77.6 | 81.9 | 166 | -92.2 | 149.6 | 0 | 0 | 0 | 109 | N1558 N1562 | N1558-L1560 VanDerWaalsContact C-N 3.27Å; N1558-L1560 PolarHBondContact O-N 2.79Å; L1560-N1562 PolarHBondContact O-N 2.8Å | ||
| 1561 | N | 23.4 | Very low | 22.9 | Very low | 134 Ų | 134 | 157.2 Ų | 157.2 | 72% | 0.717 | 79% | 0.789 | S | S | * | * | trans | -59.8 | 86.6 | 160.6 | -92.1 | -17.2 | 0 | 0 | 0 | 108.8 | N1559 N1563 | N1559-N1561 PolarHBondContact O-N 2.84Å; N1561-N1563 PolarHBondContact O-N 3.13Å | ||
| 1562 | N | 25 | Very low | 23 | Very low | 137 Ų | 137 | 159.4 Ų | 159.4 | 73% | 0.733 | 79% | 0.792 | S | S | * | * | trans | -70.5 | 86.5 | 165 | -84.9 | -12.8 | 0 | 0 | 0 | 108.5 | L1560 I1564 | L1560-N1562 PolarHBondContact O-N 2.8Å; N1562-I1564 VanDerWaalsContact C-N 3.27Å; N1562-I1564 PolarHBondContact O-N 2.7Å | ||
| 1563 | N | 24.2 | Very low | 23.1 | Very low | 143 Ų | 143 | 156.2 Ų | 156.2 | 77% | 0.765 | 79% | 0.79 | S | S | * | * | trans | -57.9 | 87.5 | 169.3 | -80.7 | -40 | 0 | 0 | 0 | 109.7 | N1561 K1565 | N1561-N1563 PolarHBondContact O-N 3.13Å; N1563-K1565 VanDerWaalsContact C-N 3.33Å; N1563-K1565 PolarHBondContact O-N 2.91Å | ||
| 1564 | I | 23.4 | Very low | 23.2 | Very low | 141 Ų | 141 | 156.4 Ų | 156.4 | 72% | 0.723 | 79% | 0.791 | S | S | * | * | trans | -66 | 101.5 | 164.8 | -64.4 | 179.1 | 0 | 0 | 0 | 106.3 | N1562 Y1566 | N1562-I1564 VanDerWaalsContact C-N 3.27Å; N1562-I1564 PolarHBondContact O-N 2.7Å; I1564-Y1566 VanDerWaalsContact C-N 3.32Å; I1564-Y1566 WeakPolarHBondContact O-CD2 2.95Å; I1564-Y1566 PolarHBondContact O-N 3.41Å | ||
| 1565 | K | 22.9 | Very low | 23.3 | Very low | 200 Ų | 200 | 156.3 Ų | 156.3 | 87% | 0.87 | 79% | 0.792 | S | S | * | * | trans | -70.1 | 81.9 | -168.1 | -159.8 | 173.5 | -171.6 | 174.8 | 0 | 109.9 | N1563 K1567 | N1563-K1565 VanDerWaalsContact C-N 3.33Å; N1563-K1565 PolarHBondContact O-N 2.91Å; K1565-K1567 PolarHBondContact O-N 2.67Å | ||
| 1566 | Y | 21.9 | Very low | 23.3 | Very low | 210 Ų | 210 | 156.5 Ų | 156.5 | 82% | 0.824 | 79% | 0.787 | S | S | * | * | trans | -55.5 | 109.9 | 169.6 | -80.7 | -84.4 | 0 | 0 | 0 | 108.6 | I1564 L1568 | I1564-Y1566 VanDerWaalsContact C-N 3.32Å; I1564-Y1566 WeakPolarHBondContact O-CD2 2.95Å; I1564-Y1566 PolarHBondContact O-N 3.41Å; Y1566-L1568 PolarHBondContact O-N 3.46Å | ||
| 1567 | K | 22.3 | Very low | 23.2 | Very low | 189 Ų | 189 | 157.7 Ų | 157.7 | 82% | 0.822 | 79% | 0.792 | S | S | * | * | trans | -74.1 | 82.2 | -178.8 | -166 | 175.3 | -176 | 179.4 | 0 | 108.3 | K1565 L1569 | K1565-K1567 PolarHBondContact O-N 2.67Å; K1567-L1569 PolarHBondContact O-N 3.04Å | ||
| 1568 | L | 22.7 | Very low | 23.2 | Very low | 154 Ų | 154 | 158.2 Ų | 158.2 | 81% | 0.806 | 79% | 0.791 | S | S | * | * | trans | -63 | 98.3 | -178 | -155.6 | 86 | 0 | 0 | 0 | 109.3 | Y1566 N1570 | Y1566-L1568 PolarHBondContact O-N 3.46Å; L1568-N1570 PolarHBondContact O-N 2.9Å | ||
| 1569 | L | 22.7 | Very low | 23.1 | Very low | 135 Ų | 135 | 158.7 Ų | 158.7 | 71% | 0.707 | 80% | 0.799 | S | S | * | * | trans | -76.6 | 105.9 | 177.2 | -143.6 | 83.2 | 0 | 0 | 0 | 108.2 | K1567 I1571 | K1567-L1569 PolarHBondContact O-N 3.04Å; L1569-I1571 PolarHBondContact O-N 3.14Å | ||
| 1570 | N | 22.2 | Very low | 23 | Very low | 156 Ų | 156 | 157.2 Ų | 157.2 | 83% | 0.834 | 80% | 0.796 | S | S | * | * | trans | -62.3 | 105.5 | 179.3 | -106.6 | -19 | 0 | 0 | 0 | 110.7 | L1568 | L1568-N1570 PolarHBondContact O-N 2.9Š| ||
| 1571 | I | 25.4 | Very low | 23 | Very low | 142 Ų | 142 | 156.8 Ų | 156.8 | 73% | 0.728 | 80% | 0.799 | S | S | * | * | trans | -122.5 | 118.6 | 165.6 | -60.4 | -178.2 | 0 | 0 | 0 | 107.4 | L1569 | L1569-I1571 PolarHBondContact O-N 3.14Š| ||
| 1572 | K | 23.8 | Very low | 23 | Very low | 210 Ų | 210 | 156 Ų | 156 | 91% | 0.913 | 80% | 0.799 | S | S | * | * | trans | -63.9 | 136 | -169.3 | -71.8 | 177.1 | 172.9 | 179.2 | 0 | 112.1 | ||||
| 1573 | N | 22.8 | Very low | 22.9 | Very low | 153 Ų | 153 | 155.4 Ų | 155.4 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | trans | -55.3 | 135.7 | 175 | -72 | -37.9 | 0 | 0 | 0 | 112.9 | ||||
| 1574 | K | 26 | Very low | 22.8 | Very low | 199 Ų | 199 | 154.4 Ų | 154.4 | 87% | 0.865 | 80% | 0.8 | S | S | * | * | trans | -131.6 | 108.1 | 150.8 | -87.5 | -169.9 | 172.8 | -178.6 | 0 | 110.2 | ||||
| 1575 | S | 23.3 | Very low | 22.8 | Very low | 118 Ų | 118 | 153.8 Ų | 153.8 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | trans | 40.9 | 98.8 | 159.6 | 58 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1576 | I | 22.8 | Very low | 22.8 | Very low | 145 Ų | 145 | 149.8 Ų | 149.8 | 74% | 0.744 | 80% | 0.795 | S | S | * | * | trans | -76.4 | 140.8 | 164.7 | -65.4 | 158.4 | 0 | 0 | 0 | 110.1 | ||||
| 1577 | F | 21.5 | Very low | 22.8 | Very low | 210 Ų | 210 | 146.1 Ų | 146.1 | 92% | 0.921 | 80% | 0.795 | S | S | * | * | trans | -159.7 | 73.6 | 147.9 | -108.2 | -66.9 | 0 | 0 | 0 | 112.4 | ||||
| 1578 | T | 21.4 | Very low | 22.9 | Very low | 121 Ų | 121 | 142 Ų | 142 | 74% | 0.742 | 79% | 0.786 | S | S | * | * | trans | -151.3 | 126.5 | 154.7 | 32.7 | 0 | 0 | 0 | 0 | 109.7 | T1580 | T1578-T1580 PolarHBondContact O-N 2.97Š| ||
| 1579 | T | 21.2 | Very low | 22.9 | Very low | 144 Ų | 144 | 140.2 Ų | 140.2 | 88% | 0.883 | 78% | 0.782 | S | S | * | * | trans | -82.7 | 88.5 | -172.5 | -10.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1580 | T | 21.7 | Very low | 22.9 | Very low | 117 Ų | 117 | 140.3 Ų | 140.3 | 72% | 0.718 | 78% | 0.783 | S | S | * | * | trans | -94.3 | 102.4 | 167.8 | 9.7 | 0 | 0 | 0 | 0 | 110.3 | T1578 T1582 | T1578-T1580 PolarHBondContact O-N 2.97Å; T1580-T1582 VanDerWaalsContact C-N 3.31Å; T1580-T1582 PolarHBondContact O-N 2.88Å | ||
| 1581 | T | 22.4 | Very low | 23.1 | Very low | 134 Ų | 134 | 142 Ų | 142 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | trans | -70 | 86.3 | 167.5 | 24.2 | 0 | 0 | 0 | 0 | 110.3 | T1583 | T1581-T1583 PolarHBondContact O-N 3.26Š| ||
| 1582 | T | 22.4 | Very low | 23 | Very low | 117 Ų | 117 | 144.8 Ų | 144.8 | 72% | 0.718 | 79% | 0.785 | S | S | * | * | trans | -73.6 | 87.6 | 172 | 47.1 | 0 | 0 | 0 | 0 | 111.3 | T1580 T1584 | T1580-T1582 VanDerWaalsContact C-N 3.31Å; T1580-T1582 PolarHBondContact O-N 2.88Å; T1582-T1584 PolarHBondContact O-N 2.96Å | ||
| 1583 | T | 22.9 | Very low | 23 | Very low | 125 Ų | 125 | 144.6 Ų | 144.6 | 77% | 0.767 | 79% | 0.785 | S | S | * | * | trans | -78.1 | 91.9 | 157.5 | 35 | 0 | 0 | 0 | 0 | 109.5 | T1581 T1585 | T1581-T1583 PolarHBondContact O-N 3.26Å; T1583-T1585 VanDerWaalsContact C-N 3.33Å; T1583-T1585 PolarHBondContact O-N 2.88Å | ||
| 1584 | T | 22.5 | Very low | 22.9 | Very low | 123 Ų | 123 | 146.2 Ų | 146.2 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | trans | -67 | 89.4 | 165.9 | 45.5 | 0 | 0 | 0 | 0 | 110 | T1582 T1586 | T1582-T1584 PolarHBondContact O-N 2.96Å; T1584-T1586 PolarHBondContact O-N 3.33Å | ||
| 1585 | T | 23.5 | Very low | 22.9 | Very low | 128 Ų | 128 | 144.7 Ų | 144.7 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | trans | -73.7 | 92.1 | 165 | 36.9 | 0 | 0 | 0 | 0 | 109.2 | T1583 T1587 | T1583-T1585 VanDerWaalsContact C-N 3.33Å; T1583-T1585 PolarHBondContact O-N 2.88Å; T1585-T1587 PolarHBondContact O-N 3.01Å | ||
| 1586 | T | 23.8 | Very low | 22.8 | Very low | 115 Ų | 115 | 148.5 Ų | 148.5 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | trans | -50 | 130 | 161.9 | 26.1 | 0 | 0 | 0 | 0 | 109.4 | T1584 T1588 | T1584-T1586 PolarHBondContact O-N 3.33Å; T1586-T1588 PolarHBondContact O-N 3.09Å | ||
| 1587 | T | 22.4 | Very low | 22.8 | Very low | 134 Ų | 134 | 145.2 Ų | 145.2 | 82% | 0.822 | 77% | 0.766 | S | S | * | * | trans | -69.7 | 74.4 | 173.6 | 39.7 | 0 | 0 | 0 | 0 | 110.5 | T1585 T1589 | T1585-T1587 PolarHBondContact O-N 3.01Å; T1587-T1589 PolarHBondContact O-N 2.87Å | ||
| 1588 | T | 23.3 | Very low | 22.9 | Very low | 103 Ų | 103 | 140.3 Ų | 140.3 | 63% | 0.632 | 75% | 0.749 | S | S | * | * | trans | -68.2 | 90.5 | 162.8 | -46.8 | 0 | 0 | 0 | 0 | 106.9 | T1586 N1590 | T1586-T1588 PolarHBondContact O-N 3.09Å; T1588-N1590 PolarHBondContact O-N 3.45Å | ||
| 1589 | T | 23.3 | Very low | 23 | Very low | 116 Ų | 116 | 137.4 Ų | 137.4 | 71% | 0.712 | 73% | 0.727 | S | S | * | * | trans | -63.1 | 88.8 | 171.7 | 51 | 0 | 0 | 0 | 0 | 108.5 | T1587 K1591 | T1587-T1589 PolarHBondContact O-N 2.87Å; T1589-K1591 PolarHBondContact O-N 3.34Å | ||
| 1590 | N | 23 | Very low | 23.2 | Very low | 137 Ų | 137 | 139.8 Ų | 139.8 | 73% | 0.733 | 73% | 0.725 | S | S | * | * | trans | -67.1 | 86.8 | 175.9 | -99.6 | -20.5 | 0 | 0 | 0 | 109 | T1588 Y1592 | T1588-N1590 PolarHBondContact O-N 3.45Å; N1590-Y1592 PolarHBondContact O-N 3.34Å | ||
| 1591 | K | 25.2 | Very low | 23.4 | Very low | 192 Ų | 192 | 138.6 Ų | 138.6 | 84% | 0.835 | 72% | 0.718 | S | S | * | * | trans | -70.7 | 32.1 | 177.8 | -114.8 | 178.9 | -179 | 175.4 | 0 | 112.6 | T1589 | T1589-K1591 PolarHBondContact O-N 3.34Š| ||
| 1592 | Y | 23.1 | Very low | 23.5 | Very low | 199 Ų | 199 | 141.6 Ų | 141.6 | 78% | 0.78 | 72% | 0.72 | S | S | * | * | trans | -138.9 | 85 | -179.6 | -74.6 | -75.9 | 0 | 0 | 0 | 111.3 | N1590 | N1590-Y1592 PolarHBondContact O-N 3.34Š| ||
| 1593 | F | 23.7 | Very low | 23.8 | Very low | 207 Ų | 207 | 144 Ų | 144 | 91% | 0.908 | 72% | 0.723 | S | S | * | * | trans | -154 | 67.6 | 141.9 | -107 | -67.8 | 0 | 0 | 0 | 109.8 | ||||
| 1594 | K | 22.6 | Very low | 23.9 | Very low | 187 Ų | 187 | 143.8 Ų | 143.8 | 81% | 0.813 | 72% | 0.72 | S | S | * | * | trans | -101.9 | 98.6 | 172 | -165.7 | -179.2 | -172.7 | -177.9 | 0 | 108.1 | ||||
| 1595 | K | 24.3 | Very low | 24 | Very low | 167 Ų | 167 | 145.3 Ų | 145.3 | 73% | 0.726 | 72% | 0.724 | S | S | * | * | trans | 54.3 | 104.8 | 169 | -89.6 | 179.9 | 162.7 | -174.7 | 0 | 117.2 | ||||
| 1596 | Y | 22.6 | Very low | 23.9 | Very low | 198 Ų | 198 | 143.6 Ų | 143.6 | 78% | 0.776 | 72% | 0.717 | S | S | * | * | -121.7 | 124.3 | 127.3 | -82 | -82.3 | 0 | 0 | 0 | 106 | |||||
| 1597 | S | 22.8 | Very low | 24 | Very low | 75 Ų | 75 | 147.7 Ų | 147.7 | 52% | 0.524 | 73% | 0.725 | S | S | . | * | trans | -159.4 | 62.8 | -166.9 | 70.5 | 0 | 0 | 0 | 0 | 111 | E1359 | E1359-S1597 VanDerWaalsContact OE1-C 3.28Å; E1359-S1597 PolarHBondContact OE1-N 3.44Å | ||
| 1598 | N | 23 | Very low | 24.1 | Very low | 107 Ų | 107 | 150.4 Ų | 150.4 | 57% | 0.572 | 73% | 0.726 | S | S | * | * | trans | -170.4 | -158.1 | 159.5 | -102.7 | -8.8 | 0 | 0 | 0 | 103.1 | E1359 | E1359-N1598 HydrophobicContact CG-CB 3.22Å; E1359-N1598 WeakPolarHBondContact OE1-CB 3.02Å; E1359-N1598 PolarHBondContact OE1-N 3.19Å | ||
| 1599 | E | 23.3 | Very low | 24.2 | Very low | 61 Ų | 61 | 154.9 Ų | 154.9 | 29% | 0.285 | 74% | 0.737 | S | S | . | * | trans | 75.5 | 109 | -164.9 | -42 | -153.2 | 148.4 | 0 | 0 | 113.3 | T1357 N1358 E1359 | T1357-E1599 VanDerWaalsContact C-CD 3.4Å; T1357-E1599 WeakPolarHBondContact CA-OE2 3.48Å; T1357-E1599 WeakPolarHBondContact CB-OE2 3.39Å; T1357-E1599 HydrophobicContact CG2-CB 4.5Å; T1357-E1599 PolarHBondContact N-OE2 3Å; T1357-E1599 VanDerWaalsContact O-OE2 3.08Å; T1357-E1599 WeakPolarHBondContact OG1-CB 3.34Å; T1357-E1599 PolarHBondContact OG1-OE2 2.74Å; N1358-E1599 VanDerWaalsContact CA-CD 3.47Å; N1358-E1599 WeakPolarHBondContact CA-OE1 3.18Å; N1358-E1599 PolarHBondContact ND2-OE1 2.84Å; N1358-E1599 VanDerWaalsContact O-CA 3.3Å; N1358-E1599 WeakPolarHBondContact O-CA 3.23Å; E1359-E1599 HydrophobicContact CB-CG 3.65Å; E1359-E1599 HydrophobicContact CG-CG 3.78Å | ||
| 1600 | K | 25.3 | Very low | 24.3 | Very low | 193 Ų | 193 | 154 Ų | 154 | 84% | 0.839 | 74% | 0.735 | S | S | * | * | trans | -93.8 | 126.1 | -176.3 | -67.2 | 173.7 | 177.9 | 173.9 | 0 | 112.2 | T1357 K1602 | T1357-K1600 WeakPolarHBondContact CG2-O 3.5Å; K1600-K1602 PolarHBondContact O-N 2.82Å | ||
| 1601 | T | 25.3 | Very low | 24.3 | Very low | 92 Ų | 92 | 158.3 Ų | 158.3 | 56% | 0.564 | 74% | 0.742 | S | S | * | * | trans | -75.6 | 106.7 | 174.2 | -9.9 | 0 | 0 | 0 | 0 | 109.9 | L1355 T1357 H1603 | L1355-T1601 VanDerWaalsContact O-CG2 3.23Å; L1355-T1601 WeakPolarHBondContact O-CG2 3.28Å; T1357-T1601 HydrophobicContact CG2-CG2 3.76Å; T1357-T1601 VanDerWaalsContact CG2-N 3.3Å; T1601-H1603 PolarHBondContact O-N 3.36Å | ||
| 1602 | K | 24.8 | Very low | 24.3 | Very low | 198 Ų | 198 | 155.5 Ų | 155.5 | 86% | 0.861 | 74% | 0.736 | S | S | * | * | trans | -63.1 | 100.8 | 167.1 | -79.4 | -176.7 | 174.3 | 179.5 | 0 | 108.2 | K1600 V1604 | K1600-K1602 PolarHBondContact O-N 2.82Å; K1602-V1604 PolarHBondContact O-N 2.82Å | ||
| 1603 | H | 28.5 | Very low | 24.3 | Very low | 168 Ų | 168 | 153.4 Ų | 153.4 | 78% | 0.778 | 73% | 0.733 | S | S | * | * | trans | -65.5 | 119.6 | 173.3 | -104.5 | -72.8 | 0 | 0 | 0 | 109.6 | T1601 N1605 | T1601-H1603 PolarHBondContact O-N 3.36Å; H1603-N1605 PolarHBondContact O-N 3.02Å | ||
| 1604 | V | 24.9 | Very low | 24.3 | Very low | 119 Ų | 119 | 148.3 Ų | 148.3 | 72% | 0.721 | 72% | 0.721 | S | S | * | * | trans | -62 | 132.4 | 167 | 174.3 | 0 | 0 | 0 | 0 | 108.6 | K1602 S1606 | K1602-V1604 PolarHBondContact O-N 2.82Å; V1604-S1606 VanDerWaalsContact C-N 3.27Å; V1604-S1606 PolarHBondContact O-N 3.29Å | ||
| 1605 | N | 24.5 | Very low | 24.3 | Very low | 155 Ų | 155 | 150.9 Ų | 150.9 | 83% | 0.829 | 73% | 0.725 | S | S | * | * | trans | -65.8 | 78.5 | 177.5 | -82.4 | -29.5 | 0 | 0 | 0 | 112 | H1603 K1607 | H1603-N1605 PolarHBondContact O-N 3.02Å; N1605-K1607 PolarHBondContact O-N 2.93Å | ||
| 1606 | S | 23 | Very low | 24.3 | Very low | 93 Ų | 93 | 152.3 Ų | 152.3 | 65% | 0.65 | 73% | 0.728 | S | S | * | * | trans | -70.1 | 114.5 | 146.6 | 51.3 | 0 | 0 | 0 | 0 | 106.9 | V1604 K1608 | V1604-S1606 VanDerWaalsContact C-N 3.27Å; V1604-S1606 PolarHBondContact O-N 3.29Å; S1606-K1608 VanDerWaalsContact C-N 3.33Å; S1606-K1608 PolarHBondContact O-N 3.2Å | ||
| 1607 | K | 25.2 | Very low | 24.3 | Very low | 201 Ų | 201 | 144.6 Ų | 144.6 | 87% | 0.874 | 71% | 0.708 | S | S | * | * | trans | -54.5 | 96.6 | 177.3 | -74.6 | 178.4 | 174.8 | 178.7 | 0 | 108.6 | N1605 F1609 | N1605-K1607 PolarHBondContact O-N 2.93Å; K1607-F1609 PolarHBondContact O-N 3.16Å | ||
| 1608 | K | 24.7 | Very low | 24.4 | Very low | 191 Ų | 191 | 149 Ų | 149 | 83% | 0.83 | 72% | 0.718 | S | S | * | * | trans | -65.2 | 107.3 | 175.1 | -85 | -178.7 | 176.4 | 174 | 0 | 106.8 | S1606 S1610 | S1606-K1608 VanDerWaalsContact C-N 3.33Å; S1606-K1608 PolarHBondContact O-N 3.2Å; K1608-S1610 PolarHBondContact O-N 2.61Å; K1608-S1610 VanDerWaalsContact O-N 3.08Å | ||
| 1609 | F | 24.7 | Very low | 24.5 | Very low | 196 Ų | 196 | 154.4 Ų | 154.4 | 86% | 0.86 | 73% | 0.732 | S | S | * | * | trans | -40.6 | 119.9 | 152.1 | -86.4 | -98.2 | 0 | 0 | 0 | 107.6 | K1607 R1611 | K1607-F1609 PolarHBondContact O-N 3.16Å; F1609-R1611 PolarHBondContact O-N 3.35Å | ||
| 1610 | S | 24.9 | Very low | 24.5 | Very low | 98 Ų | 98 | 157 Ų | 157 | 69% | 0.685 | 74% | 0.744 | S | S | * | * | trans | -61.7 | 89.1 | 165.8 | 39 | 0 | 0 | 0 | 0 | 107.3 | K1608 N1612 | K1608-S1610 PolarHBondContact O-N 2.61Å; K1608-S1610 VanDerWaalsContact O-N 3.08Å; S1610-N1612 PolarHBondContact O-N 3.14Å | ||
| 1611 | R | 23.3 | Very low | 24.4 | Very low | 228 Ų | 228 | 152.8 Ų | 152.8 | 86% | 0.86 | 74% | 0.739 | S | S | * | * | trans | -61.6 | 87.5 | 150.6 | -86.5 | -173.1 | 171.8 | 175 | -1.8 | 105.1 | F1609 E1613 | F1609-R1611 PolarHBondContact O-N 3.35Å; R1611-E1613 PolarHBondContact O-N 3.44Å | ||
| 1612 | N | 25.9 | Very low | 24.4 | Very low | 133 Ų | 133 | 154.2 Ų | 154.2 | 71% | 0.711 | 75% | 0.75 | S | S | * | * | trans | -45.1 | 117.6 | 167.5 | -70.6 | -28.5 | 0 | 0 | 0 | 106 | S1610 | S1610-N1612 PolarHBondContact O-N 3.14Š| ||
| 1613 | E | 22.5 | Very low | 24.4 | Very low | 154 Ų | 154 | 150.2 Ų | 150.2 | 72% | 0.72 | 75% | 0.747 | S | S | * | * | trans | -49.4 | 136.1 | 161 | -68.9 | -170.7 | 140.7 | 0 | 0 | 106.5 | R1611 R1615 | R1611-E1613 PolarHBondContact O-N 3.44Å; E1613-R1615 PolarHBondContact O-N 2.91Å | ||
| 1614 | P | 24.3 | Very low | 24.2 | Very low | 101 Ų | 101 | 145 Ų | 145 | 66% | 0.656 | 74% | 0.738 | S | S | * | * | trans | -65.5 | 94.2 | -176.1 | 27.2 | -33.3 | 0 | 0 | 0 | 107.1 | Y1616 | P1614-Y1616 VanDerWaalsContact O-CD2 3.25Å; P1614-Y1616 WeakPolarHBondContact O-CD2 3.48Å; P1614-Y1616 PolarHBondContact O-N 3.41Å | ||
| 1615 | R | 22.8 | Very low | 24.1 | Very low | 240 Ų | 240 | 149.2 Ų | 149.2 | 91% | 0.906 | 74% | 0.743 | S | S | * | * | trans | -50.9 | 112.9 | 159.2 | -79 | -174.1 | 174.4 | -177.6 | -1.6 | 103.6 | E1613 G1617 | E1613-R1615 PolarHBondContact O-N 2.91Å; R1615-G1617 PolarHBondContact O-N 2.63Å | ||
| 1616 | Y | 24.3 | Very low | 24.1 | Very low | 198 Ų | 198 | 147.6 Ų | 147.6 | 78% | 0.776 | 74% | 0.739 | S | S | * | * | trans | -68 | 62.8 | 166.7 | -76.3 | -100.1 | 0 | 0 | 0 | 107.5 | P1614 F1618 | P1614-Y1616 VanDerWaalsContact O-CD2 3.25Å; P1614-Y1616 WeakPolarHBondContact O-CD2 3.48Å; P1614-Y1616 PolarHBondContact O-N 3.41Å; Y1616-F1618 PolarHBondContact O-N 2.89Å; Y1616-F1618 VanDerWaalsContact O-N 3.13Å | ||
| 1617 | G | 23.2 | Very low | 24.1 | Very low | 36 Ų | 36 | 151.1 Ų | 151.1 | 37% | 0.371 | 74% | 0.742 | S | S | . | * | trans | -61.2 | 112.3 | 159.8 | 0 | 0 | 0 | 0 | 0 | 104.8 | R1615 Y1619 | R1615-G1617 PolarHBondContact O-N 2.63Å; G1617-Y1619 PolarHBondContact O-N 3.44Å | ||
| 1618 | F | 23.6 | Very low | 24.2 | Very low | 167 Ų | 167 | 149.6 Ų | 149.6 | 73% | 0.732 | 74% | 0.738 | S | S | * | * | trans | -57.2 | 96.3 | 166.5 | -78.9 | -105 | 0 | 0 | 0 | 106.5 | Y1616 H1620 | Y1616-F1618 PolarHBondContact O-N 2.89Å; Y1616-F1618 VanDerWaalsContact O-N 3.13Å; F1618-H1620 PolarHBondContact O-N 3.45Å | ||
| 1619 | Y | 24.5 | Very low | 24.1 | Very low | 220 Ų | 220 | 148.3 Ų | 148.3 | 86% | 0.863 | 73% | 0.732 | S | S | * | * | trans | -64.1 | 97.5 | 166.5 | -85.2 | -84.2 | 0 | 0 | 0 | 105.9 | G1617 S1621 | G1617-Y1619 PolarHBondContact O-N 3.44Å; Y1619-S1621 PolarHBondContact O-N 3.06Å | ||
| 1620 | H | 24.1 | Very low | 24 | Very low | 115 Ų | 115 | 144 Ų | 144 | 53% | 0.532 | 73% | 0.727 | S | S | . | * | trans | -55.1 | 87.4 | 155.4 | -80.5 | -92.2 | 0 | 0 | 0 | 106.9 | F1618 P1622 | F1618-H1620 PolarHBondContact O-N 3.45Å; H1620-P1622 WeakPolarHBondContact O-CD 3.3Å; H1620-P1622 VanDerWaalsContact O-N 3.15Å | ||
| 1621 | S | 23.4 | Very low | 23.9 | Very low | 106 Ų | 106 | 147 Ų | 147 | 74% | 0.741 | 73% | 0.73 | S | S | * | * | trans | -59.5 | 112.5 | 162.6 | 31.2 | 0 | 0 | 0 | 0 | 106 | Y1619 S1623 | Y1619-S1621 PolarHBondContact O-N 3.06Å; S1621-S1623 PolarHBondContact O-N 3.35Å | ||
| 1622 | P | 24.4 | Very low | 23.8 | Very low | 122 Ų | 122 | 141.4 Ų | 141.4 | 79% | 0.792 | 73% | 0.725 | S | S | * | * | trans | -64.6 | 126.2 | -178.5 | -14.7 | 28.6 | 0 | 0 | 0 | 107.3 | H1620 G1624 | H1620-P1622 WeakPolarHBondContact O-CD 3.3Å; H1620-P1622 VanDerWaalsContact O-N 3.15Å; P1622-G1624 PolarHBondContact O-N 3.46Å | ||
| 1623 | S | 25.1 | Very low | 23.7 | Very low | 113 Ų | 113 | 138.8 Ų | 138.8 | 79% | 0.79 | 72% | 0.722 | S | S | * | * | trans | -73.9 | 54.9 | 171.8 | 57.7 | 0 | 0 | 0 | 0 | 110.6 | S1621 Y1625 | S1621-S1623 PolarHBondContact O-N 3.35Å; S1623-Y1625 PolarHBondContact O-N 3.11Å | ||
| 1624 | G | 24.5 | Very low | 23.6 | Very low | 58 Ų | 58 | 139.1 Ų | 139.1 | 60% | 0.598 | 73% | 0.729 | S | S | * | * | trans | -78.4 | 95.6 | 170.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | P1622 T1626 | P1622-G1624 PolarHBondContact O-N 3.46Å; G1624-T1626 PolarHBondContact O-N 3.31Å | ||
| 1625 | Y | 23.3 | Very low | 23.6 | Very low | 209 Ų | 209 | 141 Ų | 141 | 82% | 0.82 | 73% | 0.732 | S | S | * | * | trans | -64 | 96.2 | 171.8 | -88.4 | -97.8 | 0 | 0 | 0 | 110.7 | S1623 | S1623-Y1625 PolarHBondContact O-N 3.11Š| ||
| 1626 | T | 23.8 | Very low | 23.6 | Very low | 121 Ų | 121 | 137 Ų | 137 | 74% | 0.742 | 73% | 0.728 | S | S | * | * | trans | -103.2 | 92.5 | 157.1 | 35.6 | 0 | 0 | 0 | 0 | 109.4 | G1624 H1628 | G1624-T1626 PolarHBondContact O-N 3.31Å; T1626-H1628 PolarHBondContact O-N 3.3Å | ||
| 1627 | K | 23.8 | Very low | 23.5 | Very low | 166 Ų | 166 | 132 Ų | 132 | 72% | 0.722 | 72% | 0.723 | S | S | * | * | trans | -60.3 | 97.3 | 165.1 | -77.7 | 174.1 | 168 | 178.4 | 0 | 109.1 | F1629 | K1627-F1629 HydrophobicContact CB-CD2 4.48Å; K1627-F1629 HydrophobicContact CD-CE2 4.28Å | ||
| 1628 | H | 26 | Very low | 23.5 | Very low | 170 Ų | 170 | 135.4 Ų | 135.4 | 79% | 0.787 | 74% | 0.741 | S | S | * | * | trans | -99.1 | 106.1 | 155.6 | -85.8 | -74.1 | 0 | 0 | 0 | 109.3 | T1626 | T1626-H1628 PolarHBondContact O-N 3.3Š| ||
| 1629 | F | 23 | Very low | 23.5 | Very low | 163 Ų | 163 | 133.8 Ų | 133.8 | 72% | 0.715 | 75% | 0.745 | S | S | * | * | trans | -73 | 123.4 | 169.3 | -86.6 | -101 | 0 | 0 | 0 | 110 | K1627 | K1627-F1629 HydrophobicContact CB-CD2 4.48Å; K1627-F1629 HydrophobicContact CD-CE2 4.28Å | ||
| 1630 | S | 22.8 | Very low | 23.4 | Very low | 107 Ų | 107 | 129.2 Ų | 129.2 | 75% | 0.748 | 74% | 0.739 | S | S | * | * | trans | -155.4 | 96.3 | 150.6 | 42.9 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 1631 | H | 22.4 | Very low | 23.4 | Very low | 161 Ų | 161 | 130 Ų | 130 | 75% | 0.745 | 75% | 0.746 | S | S | * | * | 31.7 | 106.3 | 78.4 | -77.1 | 51.3 | 0 | 0 | 0 | 109.9 | |||||
| 1632 | S | 22.1 | Very low | 23.3 | Very low | 109 Ų | 109 | 132 Ų | 132 | 76% | 0.762 | 75% | 0.749 | S | S | * | * | cis | -170.8 | 158 | 49.8 | 47.5 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1633 | A | 22.7 | Very low | 23.3 | Very low | 78 Ų | 78 | 131.4 Ų | 131.4 | 65% | 0.645 | 74% | 0.743 | S | S | * | * | trans | 48.3 | 111.2 | 149.3 | 0 | 0 | 0 | 0 | 0 | 119.7 | I1635 | A1633-I1635 HydrophobicContact CB-CG1 4.45Å; A1633-I1635 PolarHBondContact O-N 3.27Å | ||
| 1634 | N | 22 | Very low | 23.2 | Very low | 162 Ų | 162 | 134.6 Ų | 134.6 | 87% | 0.866 | 74% | 0.743 | S | S | * | * | trans | -52.1 | 103.7 | 146.2 | -76.5 | -27.9 | 0 | 0 | 0 | 109.6 | ||||
| 1635 | I | 23.1 | Very low | 23.1 | Very low | 141 Ų | 141 | 139.5 Ų | 139.5 | 72% | 0.723 | 76% | 0.755 | S | S | * | * | trans | -92.8 | 106.5 | 161.1 | -63.9 | 179.7 | 0 | 0 | 0 | 106.7 | A1633 S1637 | A1633-I1635 HydrophobicContact CB-CG1 4.45Å; A1633-I1635 PolarHBondContact O-N 3.27Å; I1635-S1637 PolarHBondContact O-N 3.39Å | ||
| 1636 | N | 24 | Very low | 23.1 | Very low | 154 Ų | 154 | 138.5 Ų | 138.5 | 82% | 0.824 | 76% | 0.755 | S | S | * | * | trans | -67.2 | 82.3 | 169.7 | -75.8 | -27.6 | 0 | 0 | 0 | 109.3 | S1638 | N1636-S1638 PolarHBondContact O-N 3.16Å; N1636-S1638 VanDerWaalsContact O-N 3.15Å | ||
| 1637 | S | 22.5 | Very low | 23 | Very low | 94 Ų | 94 | 138.2 Ų | 138.2 | 66% | 0.657 | 76% | 0.758 | S | S | * | * | trans | -76.7 | 98.2 | 169.9 | 51.4 | 0 | 0 | 0 | 0 | 109.9 | I1635 T1639 | I1635-S1637 PolarHBondContact O-N 3.39Å; S1637-T1639 PolarHBondContact O-N 2.95Å | ||
| 1638 | S | 23.2 | Very low | 23 | Very low | 108 Ų | 108 | 139.2 Ų | 139.2 | 76% | 0.755 | 76% | 0.763 | S | S | * | * | trans | -64.3 | 90.5 | 171.2 | 53.9 | 0 | 0 | 0 | 0 | 111 | N1636 V1640 | N1636-S1638 PolarHBondContact O-N 3.16Å; N1636-S1638 VanDerWaalsContact O-N 3.15Å; S1638-V1640 PolarHBondContact O-N 2.95Å | ||
| 1639 | T | 23.7 | Very low | 22.9 | Very low | 132 Ų | 132 | 137.5 Ų | 137.5 | 81% | 0.81 | 77% | 0.77 | S | S | * | * | trans | -74.2 | 96.4 | 172.1 | -50.5 | 0 | 0 | 0 | 0 | 109.6 | S1637 I1641 | S1637-T1639 PolarHBondContact O-N 2.95Å; T1639-I1641 PolarHBondContact O-N 3.04Å | ||
| 1640 | V | 22.4 | Very low | 22.8 | Very low | 124 Ų | 124 | 133 Ų | 133 | 75% | 0.752 | 76% | 0.762 | S | S | * | * | trans | -60.6 | 135.3 | 177.4 | 172 | 0 | 0 | 0 | 0 | 110.7 | S1638 N1642 | S1638-V1640 PolarHBondContact O-N 2.95Å; V1640-N1642 PolarHBondContact O-N 3.45Å | ||
| 1641 | I | 22.8 | Very low | 22.9 | Very low | 132 Ų | 132 | 136.8 Ų | 136.8 | 68% | 0.677 | 77% | 0.765 | S | S | * | * | trans | -61.5 | 119 | -179.4 | -63.4 | 164.9 | 0 | 0 | 0 | 110.7 | T1639 T1643 | T1639-I1641 PolarHBondContact O-N 3.04Å; I1641-T1643 VanDerWaalsContact C-N 3.34Å; I1641-T1643 HydrophobicContact CG2-CG2 3.27Å; I1641-T1643 PolarHBondContact O-N 3.16Å | ||
| 1642 | N | 21 | Very low | 22.8 | Very low | 149 Ų | 149 | 134.9 Ų | 134.9 | 80% | 0.797 | 77% | 0.769 | S | S | * | * | trans | -92.1 | 66.6 | 168.4 | -155.4 | -7.2 | 0 | 0 | 0 | 111 | V1640 K1644 | V1640-N1642 PolarHBondContact O-N 3.45Å; N1642-K1644 PolarHBondContact O-N 3.48Å | ||
| 1643 | T | 24.8 | Very low | 22.8 | Very low | 109 Ų | 109 | 137.4 Ų | 137.4 | 67% | 0.669 | 77% | 0.769 | S | S | * | * | trans | -72.8 | 86.8 | 174.2 | 35.5 | 0 | 0 | 0 | 0 | 111.1 | I1641 | I1641-T1643 VanDerWaalsContact C-N 3.34Å; I1641-T1643 HydrophobicContact CG2-CG2 3.27Å; I1641-T1643 PolarHBondContact O-N 3.16Å | ||
| 1644 | K | 23.7 | Very low | 22.8 | Very low | 180 Ų | 180 | 141.8 Ų | 141.8 | 78% | 0.783 | 78% | 0.78 | S | S | * | * | trans | -113.8 | 65.7 | 157.5 | -79 | -169.4 | 178.7 | 178.7 | 0 | 111.3 | N1642 | N1642-K1644 PolarHBondContact O-N 3.48Š| ||
| 1645 | N | 22.7 | Very low | 22.9 | Very low | 161 Ų | 161 | 141.4 Ų | 141.4 | 86% | 0.861 | 78% | 0.778 | S | S | * | * | trans | -144.5 | 77.1 | 146.5 | -97.7 | -26.9 | 0 | 0 | 0 | 108.2 | S1647 | N1645-S1647 VanDerWaalsContact C-N 3.34Å; N1645-S1647 PolarHBondContact O-N 3.27Å | ||
| 1646 | K | 23.2 | Very low | 22.9 | Very low | 187 Ų | 187 | 143.8 Ų | 143.8 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | trans | -70.1 | 92 | 165.9 | -74.4 | -177.2 | 174.6 | -177.6 | 0 | 107.8 | F1648 | K1646-F1648 PolarHBondContact O-N 2.78Š| ||
| 1647 | S | 22.2 | Very low | 22.9 | Very low | 116 Ų | 116 | 145.8 Ų | 145.8 | 81% | 0.811 | 79% | 0.787 | S | S | * | * | trans | -63.7 | 115.1 | 160.1 | 43.2 | 0 | 0 | 0 | 0 | 107.7 | N1645 S1649 | N1645-S1647 VanDerWaalsContact C-N 3.34Å; N1645-S1647 PolarHBondContact O-N 3.27Å; S1647-S1649 PolarHBondContact O-N 2.76Å; S1647-S1649 VanDerWaalsContact O-N 3.08Å | ||
| 1648 | F | 23 | Very low | 23.1 | Very low | 187 Ų | 187 | 145.9 Ų | 145.9 | 82% | 0.82 | 79% | 0.787 | S | S | * | * | trans | -59.8 | 111.7 | -178 | -106 | -120.4 | 0 | 0 | 0 | 110.3 | K1646 A1650 | K1646-F1648 PolarHBondContact O-N 2.78Å; F1648-A1650 HydrophobicContact CB-CB 4.43Å; F1648-A1650 HydrophobicContact CD1-CB 3.89Å; F1648-A1650 PolarHBondContact O-N 3.08Å | ||
| 1649 | S | 22.8 | Very low | 23.3 | Very low | 134 Ų | 134 | 149.7 Ų | 149.7 | 94% | 0.937 | 79% | 0.791 | S | S | * | * | trans | -75.9 | 81.8 | 155 | -172.7 | 0 | 0 | 0 | 0 | 107.8 | S1647 | S1647-S1649 PolarHBondContact O-N 2.76Å; S1647-S1649 VanDerWaalsContact O-N 3.08Å | ||
| 1650 | A | 22.8 | Very low | 23.5 | Very low | 67 Ų | 67 | 150.3 Ų | 150.3 | 55% | 0.554 | 79% | 0.789 | S | S | * | * | trans | -120.9 | 125.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | F1648 C1652 | F1648-A1650 HydrophobicContact CB-CB 4.43Å; F1648-A1650 HydrophobicContact CD1-CB 3.89Å; F1648-A1650 PolarHBondContact O-N 3.08Å; A1650-C1652 PolarHBondContact O-N 2.96Å; A1650-C1652 VanDerWaalsContact O-N 3.11Å | ||
| 1651 | K | 22.8 | Very low | 23.7 | Very low | 187 Ų | 187 | 150.4 Ų | 150.4 | 81% | 0.813 | 79% | 0.785 | S | S | * | * | trans | -54.6 | 112.5 | 173.8 | -74.7 | 169.3 | 170.3 | 173.9 | 0 | 110.4 | ||||
| 1652 | C | 20.4 | Very low | 24.3 | Very low | 121 Ų | 121 | 153.6 Ų | 153.6 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | -92.3 | 98.5 | 141.6 | -89.6 | 0 | 0 | 0 | 0 | 107.8 | A1650 L1654 | A1650-C1652 PolarHBondContact O-N 2.96Å; A1650-C1652 VanDerWaalsContact O-N 3.11Å; C1652-L1654 PolarHBondContact O-N 3.18Å | ||
| 1653 | Q | 22.8 | Very low | 24.7 | Very low | 163 Ų | 163 | 151.8 Ų | 151.8 | 76% | 0.762 | 79% | 0.788 | S | S | * | * | trans | -67.6 | 83.1 | 160.9 | -74.8 | 169.2 | -89.1 | 0 | 0 | 108.4 | L1655 | Q1653-L1655 PolarHBondContact O-N 2.76Š| ||
| 1654 | L | 23.2 | Very low | 24.8 | Very low | 169 Ų | 169 | 154.6 Ų | 154.6 | 89% | 0.885 | 79% | 0.792 | S | S | * | * | trans | -76.5 | 106.3 | 158.1 | -97.5 | 164.8 | 0 | 0 | 0 | 107.5 | C1652 | C1652-L1654 PolarHBondContact O-N 3.18Š| ||
| 1655 | L | 23.2 | Very low | 25.2 | Very low | 155 Ų | 155 | 151.8 Ų | 151.8 | 81% | 0.812 | 79% | 0.785 | S | S | * | * | trans | -45 | 136.5 | -177 | -79.5 | 145 | 0 | 0 | 0 | 113 | Q1653 K1657 | Q1653-L1655 PolarHBondContact O-N 2.76Å; L1655-K1657 PolarHBondContact O-N 2.81Å | ||
| 1656 | Q | 23.2 | Very low | 25.6 | Very low | 191 Ų | 191 | 146 Ų | 146 | 89% | 0.893 | 76% | 0.763 | S | S | * | * | trans | -54.1 | 112.1 | 161.9 | -67.8 | 169.6 | -37.7 | 0 | 0 | 109.9 | ||||
| 1657 | K | 24.8 | Very low | 25.9 | Very low | 196 Ų | 196 | 143.7 Ų | 143.7 | 85% | 0.852 | 76% | 0.758 | S | S | * | * | trans | -120.6 | 118.3 | 147.2 | -76.2 | -176.3 | 176.2 | 179.9 | 0 | 105.2 | L1655 | L1655-K1657 PolarHBondContact O-N 2.81Š| ||
| 1658 | S | 25.9 | Very low | 26.2 | Very low | 95 Ų | 95 | 144.3 Ų | 144.3 | 66% | 0.664 | 75% | 0.751 | S | S | * | * | cis | 156.1 | 115.9 | 4.7 | 38.2 | 0 | 0 | 0 | 0 | 101.7 | N1660 | S1658-N1660 PolarHBondContact O-N 3.49Š| ||
| 1659 | K | 28.4 | Very low | 26.5 | Very low | 189 Ų | 189 | 140.9 Ų | 140.9 | 82% | 0.822 | 74% | 0.741 | S | S | * | * | trans | -15.4 | 116 | 173 | -64.1 | 169.7 | 176 | 176.7 | 0 | 115.1 | ||||
| 1660 | N | 27.2 | Very low | 26.7 | Very low | 144 Ų | 144 | 141.1 Ų | 141.1 | 77% | 0.77 | 73% | 0.732 | S | S | * | * | trans | -123.2 | 28.7 | 158 | -105.3 | -17.2 | 0 | 0 | 0 | 111.7 | S1658 K1662 | S1658-N1660 PolarHBondContact O-N 3.49Å; N1660-K1662 PolarHBondContact O-N 2.96Å | ||
| 1661 | D | 27.6 | Very low | 26.8 | Very low | 127 Ų | 127 | 147.5 Ų | 147.5 | 68% | 0.679 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.7 | 38.6 | 176.5 | -61.7 | -49.5 | 0 | 0 | 0 | 114 | ||
| 1662 | K | 33.5 | Very low | 26.9 | Very low | 198 Ų | 198 | 144.1 Ų | 144.1 | 86% | 0.861 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.5 | 9.2 | 168.9 | -81.5 | -166.4 | 172.6 | -176.7 | 0 | 114.4 | N1660 | N1660-K1662 PolarHBondContact O-N 2.96Š|
| 1663 | V | 31 | Very low | 27 | Very low | 111 Ų | 111 | 149.2 Ų | 149.2 | 67% | 0.673 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -103.6 | -30.1 | 168 | -176.1 | 0 | 0 | 0 | 0 | 112.6 | G1666 | V1663-G1666 PolarHBondContact O-N 3.27Å; V1663-G1666 VanDerWaalsContact O-N 3.15Å |
| 1664 | F | 27.1 | Very low | 27.1 | Very low | 169 Ų | 169 | 147.8 Ų | 147.8 | 74% | 0.741 | 74% | 0.739 | S | S | * | * | G | 310 helix | trans | -75.6 | -25.2 | -178.9 | -142.2 | -98.5 | 0 | 0 | 0 | 114.6 | G1666 | F1664-G1666 PolarHBondContact O-N 3.24Š|
| 1665 | N | 31.1 | Very low | 27.1 | Very low | 121 Ų | 121 | 148.7 Ų | 148.7 | 65% | 0.647 | 74% | 0.739 | S | S | * | * | G | 310 helix | trans | -80.4 | 3 | 169.2 | -85.1 | -29.1 | 0 | 0 | 0 | 114 | ||
| 1666 | G | 32 | Very low | 27.1 | Very low | 38 Ų | 38 | 149.9 Ų | 149.9 | 39% | 0.392 | 73% | 0.732 | S | S | . | * | G | 310 helix | trans | -86.3 | -19.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | V1663 F1664 | V1663-G1666 PolarHBondContact O-N 3.27Å; V1663-G1666 VanDerWaalsContact O-N 3.15Å; F1664-G1666 PolarHBondContact O-N 3.24Å |
| 1667 | I | 28.5 | Very low | 27.1 | Very low | 139 Ų | 139 | 146.6 Ų | 146.6 | 71% | 0.713 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.1 | -26.4 | -171.7 | -65.5 | 179.9 | 0 | 0 | 0 | 112.9 | ||
| 1668 | I | 28.6 | Very low | 27.1 | Very low | 129 Ų | 129 | 147.6 Ų | 147.6 | 66% | 0.662 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.8 | -16.9 | 177.8 | -72.3 | 173.5 | 0 | 0 | 0 | 113.2 | ||
| 1669 | N | 28.9 | Very low | 27.1 | Very low | 115 Ų | 115 | 147.9 Ų | 147.9 | 62% | 0.615 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97 | 3.2 | -178 | -82.8 | -36.1 | 0 | 0 | 0 | 116.1 | ||
| 1670 | N | 27 | Very low | 26.9 | Very low | 140 Ų | 140 | 144.7 Ų | 144.7 | 75% | 0.749 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -104.3 | 15.6 | -179 | -92.7 | -23.4 | 0 | 0 | 0 | 115.3 | ||
| 1671 | F | 24.6 | Very low | 26.7 | Very low | 200 Ų | 200 | 149.4 Ų | 149.4 | 88% | 0.877 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -124.8 | 21.3 | 167.8 | -98.1 | -78.9 | 0 | 0 | 0 | 114.3 | Y1673 | F1671-Y1673 PolarHBondContact O-N 3.36Š|
| 1672 | V | 25 | Very low | 26.6 | Very low | 116 Ų | 116 | 151.3 Ų | 151.3 | 70% | 0.703 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -89.4 | 100.5 | 161.5 | -178.9 | 0 | 0 | 0 | 0 | 108.3 | H1674 | V1672-H1674 PolarHBondContact O-N 3.34Š|
| 1673 | Y | 23.4 | Very low | 26.1 | Very low | 228 Ų | 228 | 151.1 Ų | 151.1 | 89% | 0.894 | 75% | 0.747 | S | S | * | * | trans | -60.9 | 131.9 | -179.5 | -143.2 | -97.9 | 0 | 0 | 0 | 110.8 | F1671 Q1675 | F1671-Y1673 PolarHBondContact O-N 3.36Å; Y1673-Q1675 PolarHBondContact O-N 3.21Å; Y1673-Q1675 VanDerWaalsContact O-N 3.15Å | ||
| 1674 | H | 24.6 | Very low | 25.7 | Very low | 134 Ų | 134 | 151.5 Ų | 151.5 | 62% | 0.62 | 76% | 0.755 | S | S | * | * | trans | -71.3 | 106.9 | -170.3 | -111.7 | -41.2 | 0 | 0 | 0 | 112.5 | V1672 R1676 | V1672-H1674 PolarHBondContact O-N 3.34Å; H1674-R1676 PolarHBondContact CE1-NE 3.23Å | ||
| 1675 | Q | 23.7 | Very low | 25.5 | Very low | 188 Ų | 188 | 151.2 Ų | 151.2 | 88% | 0.879 | 76% | 0.759 | S | S | * | * | trans | -113.4 | 98.3 | 148.5 | -82.3 | -165.1 | -12 | 0 | 0 | 109.6 | Y1673 S1677 | Y1673-Q1675 PolarHBondContact O-N 3.21Å; Y1673-Q1675 VanDerWaalsContact O-N 3.15Å; Q1675-S1677 PolarHBondContact O-N 3.13Å | ||
| 1676 | R | 23.7 | Very low | 25.1 | Very low | 179 Ų | 179 | 154.6 Ų | 154.6 | 68% | 0.675 | 77% | 0.768 | S | S | * | * | trans | -83.1 | 102.3 | 175.3 | -88.7 | 172.8 | 166.9 | 158.2 | 0.6 | 110.3 | H1674 R1678 | H1674-R1676 PolarHBondContact CE1-NE 3.23Å; R1676-R1678 PolarHBondContact O-N 2.97Å | ||
| 1677 | S | 23.1 | Very low | 24.6 | Very low | 122 Ų | 122 | 159.3 Ų | 159.3 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | trans | -72 | 89.7 | 164.7 | 45.8 | 0 | 0 | 0 | 0 | 110.8 | Q1675 S1679 | Q1675-S1677 PolarHBondContact O-N 3.13Å; S1677-S1679 PolarHBondContact O-N 2.65Å | ||
| 1678 | R | 23.8 | Very low | 25 | Very low | 217 Ų | 217 | 158.1 Ų | 158.1 | 82% | 0.819 | 79% | 0.791 | S | S | * | * | trans | -81 | 101.7 | 174.2 | -87.5 | -174.9 | 167.6 | 175 | -3.7 | 111.6 | R1676 | R1676-R1678 PolarHBondContact O-N 2.97Š| ||
| 1679 | S | 27 | Very low | 24.6 | Very low | 101 Ų | 101 | 160.2 Ų | 160.2 | 71% | 0.706 | 80% | 0.797 | S | S | * | * | trans | 28.9 | 123.6 | 135.5 | 168.6 | 0 | 0 | 0 | 0 | 119.4 | S1677 | S1677-S1679 PolarHBondContact O-N 2.65Š| ||
| 1680 | C | 23.1 | Very low | 24.2 | Very low | 123 Ų | 123 | 161.1 Ų | 161.1 | 83% | 0.831 | 81% | 0.811 | S | S | * | * | trans | -144.7 | 115.3 | 138.6 | -98.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1681 | R | 23.5 | Very low | 24 | Very low | 242 Ų | 242 | 161.5 Ų | 161.5 | 91% | 0.913 | 81% | 0.808 | S | S | * | * | trans | -101.4 | 86.5 | 179.1 | -170.9 | -178.3 | -169.5 | 178.1 | 4.1 | 108.6 | K1683 | R1681-K1683 PolarHBondContact O-N 2.96Š| ||
| 1682 | L | 25.2 | Very low | 23.8 | Very low | 168 Ų | 168 | 159.9 Ų | 159.9 | 88% | 0.88 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 118 | -176.5 | -91.3 | 155.9 | 0 | 0 | 0 | 111.7 | ||
| 1683 | K | 22.8 | Very low | 23.6 | Very low | 193 Ų | 193 | 162.6 Ų | 162.6 | 84% | 0.839 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 152.1 | 175.5 | -79.2 | -179.1 | 173.4 | 178.8 | 0 | 111.4 | R1681 | R1681-K1683 PolarHBondContact O-N 2.96Š|
| 1684 | S | 22.2 | Very low | 23.6 | Very low | 120 Ų | 120 | 159.3 Ų | 159.3 | 84% | 0.839 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 141.5 | 173.8 | 48.4 | 0 | 0 | 0 | 0 | 113 | ||
| 1685 | I | 23 | Very low | 23.5 | Very low | 163 Ų | 163 | 159.8 Ų | 159.8 | 84% | 0.836 | 82% | 0.815 | S | S | * | * | trans | -128.3 | 131.5 | 165.9 | -63.7 | -179.4 | 0 | 0 | 0 | 107.8 | ||||
| 1686 | K | 23.8 | Very low | 23.4 | Very low | 191 Ų | 191 | 156.2 Ų | 156.2 | 83% | 0.83 | 81% | 0.806 | S | S | * | * | trans | -85.9 | 159.6 | 175.3 | -65.1 | 176 | 174.6 | 178.5 | 0 | 110.5 | ||||
| 1687 | T | 22.2 | Very low | 23.3 | Very low | 138 Ų | 138 | 157.3 Ų | 157.3 | 85% | 0.847 | 82% | 0.815 | S | S | * | * | trans | 166.5 | 171.5 | 144.5 | 38.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1688 | P | 35.8 | Very low | 23.3 | Very low | 114 Ų | 114 | 158 Ų | 158 | 74% | 0.74 | 81% | 0.809 | S | S | * | * | -130.9 | -172.1 | -95.9 | 31.1 | -5.5 | 0 | 0 | 0 | 115.2 | |||||
| 1689 | H | 21.2 | Very low | 23.4 | Very low | 173 Ų | 173 | 156.4 Ų | 156.4 | 80% | 0.801 | 81% | 0.811 | S | S | * | * | trans | -7.3 | 134.7 | 167.4 | -85.4 | -82.4 | 0 | 0 | 0 | 120.2 | ||||
| 1690 | C | 20.4 | Very low | 23.2 | Very low | 133 Ų | 133 | 157.6 Ų | 157.6 | 90% | 0.899 | 81% | 0.814 | S | S | * | * | -154.5 | 144.6 | 117.3 | -140.8 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 1691 | E | 21.2 | Very low | 23 | Very low | 149 Ų | 149 | 163.4 Ų | 163.4 | 70% | 0.696 | 82% | 0.819 | S | S | * | * | trans | -91.8 | 157.2 | -178.8 | -56.1 | 178.4 | 122.5 | 0 | 0 | 111.7 | ||||
| 1692 | N | 22.1 | Very low | 23.1 | Very low | 166 Ų | 166 | 160.7 Ų | 160.7 | 89% | 0.888 | 82% | 0.817 | S | S | * | * | -165.5 | 155.5 | 125.6 | -110.5 | -52.2 | 0 | 0 | 0 | 114.9 | |||||
| 1693 | K | 20.6 | Very low | 22.9 | Very low | 172 Ų | 172 | 157.7 Ų | 157.7 | 75% | 0.748 | 81% | 0.81 | S | S | * | * | trans | -93.5 | 156.9 | -169.2 | -62.8 | 161.4 | 177 | 166.6 | 0 | 113 | ||||
| 1694 | L | 22.9 | Very low | 23 | Very low | 160 Ų | 160 | 157.3 Ų | 157.3 | 84% | 0.838 | 81% | 0.811 | S | S | * | * | trans | 175.8 | 108.6 | 133.1 | -113.1 | 79.7 | 0 | 0 | 0 | 106.9 | ||||
| 1695 | L | 21.3 | Very low | 23.5 | Very low | 143 Ų | 143 | 156.4 Ų | 156.4 | 75% | 0.749 | 80% | 0.802 | S | S | * | * | 82.6 | 101.1 | 79.1 | -81.3 | 172.5 | 0 | 0 | 0 | 116.2 | |||||
| 1696 | T | 21.9 | Very low | 23.6 | Very low | 114 Ų | 114 | 154.3 Ų | 154.3 | 70% | 0.699 | 80% | 0.802 | S | S | * | * | trans | 49.1 | 124.9 | 135.1 | 59.1 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1697 | K | 22.9 | Very low | 23.6 | Very low | 201 Ų | 201 | 152.3 Ų | 152.3 | 87% | 0.874 | 80% | 0.8 | S | S | * | * | -170.7 | 155.7 | 94.3 | -103.6 | -177.4 | 178.7 | -178.3 | 0 | 113.4 | |||||
| 1698 | D | 22.5 | Very low | 23.7 | Very low | 136 Ų | 136 | 153.3 Ų | 153.3 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | trans | -73.7 | 157.3 | -177.4 | -47.7 | -87.6 | 0 | 0 | 0 | 113.7 | ||||
| 1699 | H | 25.3 | Very low | 23.1 | Very low | 185 Ų | 185 | 154.2 Ų | 154.2 | 86% | 0.856 | 80% | 0.802 | S | S | * | * | trans | -159.5 | 119 | 134.6 | -95.6 | -58 | 0 | 0 | 0 | 111.4 | ||||
| 1700 | T | 22.5 | Very low | 23.1 | Very low | 125 Ų | 125 | 151.2 Ų | 151.2 | 77% | 0.767 | 80% | 0.8 | S | S | * | * | trans | -79.4 | 140.6 | 170.2 | 42 | 0 | 0 | 0 | 0 | 111 | ||||
| 1701 | W | 20.4 | Very low | 23.2 | Very low | 245 Ų | 245 | 152.7 Ų | 152.7 | 93% | 0.928 | 80% | 0.799 | S | S | * | * | trans | -140.9 | 140.4 | 159.1 | -91.8 | 88.8 | 0 | 0 | 0 | 111 | ||||
| 1702 | Q | 23.8 | Very low | 23.3 | Very low | 186 Ų | 186 | 152 Ų | 152 | 87% | 0.869 | 80% | 0.8 | S | S | * | * | trans | -96.5 | 161.8 | -161 | -73 | 174.3 | -37.1 | 0 | 0 | 114.8 | ||||
| 1703 | S | 23 | Very low | 23.5 | Very low | 105 Ų | 105 | 151.9 Ų | 151.9 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | trans | -69.5 | 146.8 | 166.7 | 51.5 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1704 | Q | 24.6 | Very low | 23.7 | Very low | 184 Ų | 184 | 148.9 Ų | 148.9 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | trans | -137.9 | 147.2 | 147.7 | -88.1 | -63.3 | -61.8 | 0 | 0 | 110 | ||||
| 1705 | P | 33 | Very low | 23.9 | Very low | 101 Ų | 101 | 148.3 Ų | 148.3 | 66% | 0.656 | 80% | 0.803 | S | S | * | * | trans | -101.8 | 162.1 | -170.3 | 39.1 | -32.8 | 0 | 0 | 0 | 113.4 | ||||
| 1706 | S | 23.7 | Very low | 24.1 | Very low | 119 Ų | 119 | 146.9 Ų | 146.9 | 83% | 0.832 | 81% | 0.805 | S | S | * | * | trans | -122.5 | 122.3 | 165.3 | 49.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 1707 | N | 24.6 | Very low | 24.3 | Very low | 149 Ų | 149 | 147.2 Ų | 147.2 | 80% | 0.797 | 81% | 0.812 | S | S | * | * | trans | -74.2 | 140.3 | -175.9 | -63.9 | -43.2 | 0 | 0 | 0 | 111.5 | ||||
| 1708 | I | 22.9 | Very low | 24.3 | Very low | 159 Ų | 159 | 146.8 Ų | 146.8 | 82% | 0.815 | 81% | 0.813 | S | S | * | * | trans | -119.3 | 110.2 | 163.4 | -62.5 | 178.7 | 0 | 0 | 0 | 107.3 | ||||
| 1709 | T | 24.1 | Very low | 24.4 | Very low | 133 Ų | 133 | 145 Ų | 145 | 82% | 0.816 | 82% | 0.818 | S | S | * | * | trans | -81.2 | 114.3 | 178.3 | 41.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1710 | C | 20.6 | Very low | 24.3 | Very low | 111 Ų | 111 | 141.4 Ų | 141.4 | 75% | 0.75 | 81% | 0.813 | S | S | * | * | trans | -77.6 | 125.7 | 166.2 | -66 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1711 | N | 23.9 | Very low | 24.1 | Very low | 164 Ų | 164 | 141.1 Ų | 141.1 | 88% | 0.877 | 82% | 0.815 | S | S | * | * | trans | -96.5 | 105.3 | 176.3 | -135.5 | 11.2 | 0 | 0 | 0 | 109.2 | ||||
| 1712 | N | 23.6 | Very low | 24.2 | Very low | 135 Ų | 135 | 138.2 Ų | 138.2 | 72% | 0.722 | 81% | 0.811 | S | S | * | * | trans | -78.2 | 132 | 173.5 | -71 | -27.4 | 0 | 0 | 0 | 109.6 | ||||
| 1713 | N | 26.2 | Very low | 24.1 | Very low | 162 Ų | 162 | 135.3 Ų | 135.3 | 87% | 0.866 | 81% | 0.806 | S | S | * | * | trans | -134.3 | 83.3 | 158.9 | -96.4 | -20.2 | 0 | 0 | 0 | 109 | ||||
| 1714 | S | 23.9 | Very low | 24.1 | Very low | 110 Ų | 110 | 135.8 Ų | 135.8 | 77% | 0.769 | 81% | 0.809 | S | S | * | * | trans | -90.6 | 124.9 | 168.4 | 50.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1715 | T | 28.3 | Very low | 23.9 | Very low | 147 Ų | 147 | 134.6 Ų | 134.6 | 90% | 0.902 | 81% | 0.808 | S | S | * | * | trans | -126.8 | 107.6 | 163.9 | 42.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1716 | S | 24.1 | Very low | 23.5 | Very low | 113 Ų | 113 | 133.4 Ų | 133.4 | 79% | 0.79 | 81% | 0.814 | S | S | * | * | trans | -80.7 | 147.9 | 172.9 | 47.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 1717 | S | 26.7 | Very low | 23.5 | Very low | 121 Ų | 121 | 134.4 Ų | 134.4 | 85% | 0.846 | 81% | 0.81 | S | S | * | * | trans | -141.6 | 119.5 | 154.5 | 57.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1718 | E | 22.4 | Very low | 23.5 | Very low | 193 Ų | 193 | 131.8 Ų | 131.8 | 90% | 0.902 | 80% | 0.804 | S | S | * | * | trans | -84.2 | 146.1 | -177.7 | -60 | 165 | 129.1 | 0 | 0 | 110.6 | ||||
| 1719 | A | 24.8 | Very low | 23.6 | Very low | 99 Ų | 99 | 131.4 Ų | 131.4 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | trans | -141.6 | 122.8 | 162.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1720 | S | 22.6 | Very low | 23.5 | Very low | 108 Ų | 108 | 133.1 Ų | 133.1 | 76% | 0.755 | 81% | 0.807 | S | S | * | * | trans | -74.8 | 131.1 | -164.2 | 51.2 | 0 | 0 | 0 | 0 | 114.4 | H1722 | S1720-H1722 PolarHBondContact O-N 3.13Š| ||
| 1721 | C | 19.9 | Very low | 23.6 | Very low | 119 Ų | 119 | 133.6 Ų | 133.6 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | trans | -71.8 | 120.3 | 165.2 | -67.7 | 0 | 0 | 0 | 0 | 111.4 | V1723 | C1721-V1723 HydrophobicContact CB-CG2 4.32Š| ||
| 1722 | H | 22.3 | Very low | 23.5 | Very low | 185 Ų | 185 | 130.3 Ų | 130.3 | 86% | 0.856 | 80% | 0.797 | S | S | * | * | trans | -92.5 | 99 | 158.4 | -94.4 | -82.6 | 0 | 0 | 0 | 109.3 | S1720 | S1720-H1722 PolarHBondContact O-N 3.13Š| ||
| 1723 | V | 21.9 | Very low | 23.5 | Very low | 125 Ų | 125 | 129.4 Ų | 129.4 | 76% | 0.758 | 80% | 0.796 | S | S | * | * | trans | -95.7 | 107.4 | 171.2 | 178.3 | 0 | 0 | 0 | 0 | 108.6 | C1721 | C1721-V1723 HydrophobicContact CB-CG2 4.32Š| ||
| 1724 | S | 21.2 | Very low | 23.3 | Very low | 114 Ų | 114 | 127.8 Ų | 127.8 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | trans | -78.4 | 119.2 | 173.9 | 51.4 | 0 | 0 | 0 | 0 | 110.8 | G1726 | S1724-G1726 PolarHBondContact O-N 3.26Š| ||
| 1725 | L | 21.7 | Very low | 23.3 | Very low | 159 Ų | 159 | 131.8 Ų | 131.8 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | trans | -64.6 | 117.6 | 179 | -71.7 | 138.8 | 0 | 0 | 0 | 112 | ||||
| 1726 | G | 24.1 | Very low | 23.1 | Very low | 77 Ų | 77 | 131.1 Ų | 131.1 | 79% | 0.794 | 79% | 0.787 | S | S | * | * | trans | -98.1 | 104.7 | 162.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | S1724 | S1724-G1726 PolarHBondContact O-N 3.26Š| ||
| 1727 | N | 24.2 | Very low | 23.1 | Very low | 140 Ų | 140 | 135.8 Ų | 135.8 | 75% | 0.749 | 79% | 0.793 | S | S | * | * | trans | -71.5 | 146.2 | -172.7 | -86.3 | -21.3 | 0 | 0 | 0 | 113.7 | ||||
| 1728 | S | 23.2 | Very low | 22.9 | Very low | 94 Ų | 94 | 137.2 Ų | 137.2 | 66% | 0.657 | 79% | 0.786 | S | S | * | * | trans | -7.5 | 133.8 | 155.1 | 57.1 | 0 | 0 | 0 | 0 | 119 | ||||
| 1729 | D | 25.4 | Very low | 22.9 | Very low | 151 Ų | 151 | 134 Ų | 134 | 81% | 0.807 | 78% | 0.775 | S | S | * | * | trans | -139.3 | 93.4 | 138.8 | -104.4 | -36.8 | 0 | 0 | 0 | 111.1 | N1731 | D1729-N1731 PolarHBondContact O-N 3.36Š| ||
| 1730 | L | 22.3 | Very low | 22.8 | Very low | 169 Ų | 169 | 136 Ų | 136 | 89% | 0.885 | 78% | 0.778 | S | S | * | * | trans | -78.2 | 86.3 | 167.9 | -88 | 160.4 | 0 | 0 | 0 | 109 | ||||
| 1731 | N | 23.9 | Very low | 22.7 | Very low | 121 Ų | 121 | 138.1 Ų | 138.1 | 65% | 0.647 | 78% | 0.78 | S | S | * | * | trans | -104.4 | 81.3 | 171.4 | -89.5 | -53.5 | 0 | 0 | 0 | 111.9 | D1729 T1733 | D1729-N1731 PolarHBondContact O-N 3.36Å; N1731-T1733 VanDerWaalsContact C-N 3.34Å; N1731-T1733 PolarHBondContact O-N 2.98Å | ||
| 1732 | A | 20.9 | Very low | 22.8 | Very low | 94 Ų | 94 | 140 Ų | 140 | 78% | 0.777 | 78% | 0.78 | S | S | * | * | trans | -73.3 | 84.4 | 165.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | T1734 | A1732-T1734 PolarHBondContact O-N 2.95Š| ||
| 1733 | T | 23.3 | Very low | 22.8 | Very low | 116 Ų | 116 | 135.9 Ų | 135.9 | 71% | 0.712 | 77% | 0.77 | S | S | * | * | trans | -88.6 | 87 | 168.5 | 50.5 | 0 | 0 | 0 | 0 | 110.9 | N1731 K1735 | N1731-T1733 VanDerWaalsContact C-N 3.34Å; N1731-T1733 PolarHBondContact O-N 2.98Å; T1733-K1735 PolarHBondContact O-N 3.45Å | ||
| 1734 | T | 21.9 | Very low | 22.8 | Very low | 129 Ų | 129 | 137.5 Ų | 137.5 | 79% | 0.791 | 77% | 0.774 | S | S | * | * | trans | -56.3 | 111 | 156.8 | 33 | 0 | 0 | 0 | 0 | 109.7 | A1732 | A1732-T1734 PolarHBondContact O-N 2.95Š| ||
| 1735 | K | 25.1 | Very low | 22.8 | Very low | 193 Ų | 193 | 137.7 Ų | 137.7 | 84% | 0.839 | 77% | 0.769 | S | S | * | * | trans | -119.4 | 103.4 | 164.3 | -90.8 | -173.1 | 174.4 | 177.6 | 0 | 110.1 | T1733 K1737 | T1733-K1735 PolarHBondContact O-N 3.45Å; K1735-K1737 PolarHBondContact O-N 3.3Å | ||
| 1736 | N | 23 | Very low | 22.8 | Very low | 133 Ų | 133 | 137.6 Ų | 137.6 | 71% | 0.711 | 77% | 0.77 | S | S | * | * | trans | -50.3 | 125.2 | 169.7 | -63 | -11.8 | 0 | 0 | 0 | 110.3 | E1738 | N1736-E1738 HydrophobicContact CB-CG 4.23Š| ||
| 1737 | K | 24.7 | Very low | 22.7 | Very low | 212 Ų | 212 | 144.1 Ų | 144.1 | 92% | 0.922 | 77% | 0.77 | S | S | * | * | trans | -113.3 | 97.1 | 147.4 | -89.6 | -170.2 | 171.7 | -176 | 0 | 107 | K1735 | K1735-K1737 PolarHBondContact O-N 3.3Š| ||
| 1738 | E | 22.4 | Very low | 22.6 | Very low | 150 Ų | 150 | 142.6 Ų | 142.6 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | trans | -73 | 155.4 | 175.9 | -59.6 | 179.7 | 137 | 0 | 0 | 111.4 | N1736 | N1736-E1738 HydrophobicContact CB-CG 4.23Š| ||
| 1739 | N | 22.7 | Very low | 22.7 | Very low | 125 Ų | 125 | 145.1 Ų | 145.1 | 67% | 0.668 | 78% | 0.777 | S | S | * | * | trans | 62.2 | 88.8 | 145.1 | -60.4 | -22.9 | 0 | 0 | 0 | 120 | ||||
| 1740 | T | 23 | Very low | 22.6 | Very low | 141 Ų | 141 | 143.3 Ų | 143.3 | 87% | 0.865 | 78% | 0.776 | S | S | * | * | -137.9 | 67.2 | 129.4 | 16.6 | 0 | 0 | 0 | 0 | 111.4 | I1742 | T1740-I1742 PolarHBondContact O-N 3.13Š| |||
| 1741 | L | 20.5 | Very low | 22.6 | Very low | 154 Ų | 154 | 140.9 Ų | 140.9 | 81% | 0.806 | 77% | 0.773 | S | S | * | * | trans | -69.4 | 112.4 | 161.5 | -90.5 | 154.6 | 0 | 0 | 0 | 109.3 | ||||
| 1742 | I | 21.4 | Very low | 22.5 | Very low | 158 Ų | 158 | 140.7 Ų | 140.7 | 81% | 0.81 | 78% | 0.777 | S | S | * | * | trans | -98.7 | 114.4 | 164.6 | -62.4 | 179.6 | 0 | 0 | 0 | 107.5 | T1740 | T1740-I1742 PolarHBondContact O-N 3.13Š| ||
| 1743 | P | 22.5 | Very low | 22.7 | Very low | 99 Ų | 99 | 144.2 Ų | 144.2 | 64% | 0.643 | 78% | 0.783 | S | S | * | * | trans | -90.9 | 143.6 | -163.4 | 33.7 | -36 | 0 | 0 | 0 | 115.3 | ||||
| 1744 | L | 20.7 | Very low | 22.5 | Very low | 159 Ų | 159 | 146 Ų | 146 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | trans | 17 | 114.7 | 139.9 | -69.5 | 161 | 0 | 0 | 0 | 118.6 | ||||
| 1745 | V | 22.9 | Very low | 22.5 | Very low | 117 Ų | 117 | 148.7 Ų | 148.7 | 71% | 0.709 | 79% | 0.787 | S | S | * | * | trans | -136.4 | 86.5 | 145.1 | -174.5 | 0 | 0 | 0 | 0 | 110.4 | R1747 | V1745-R1747 HydrophobicContact CG1-CB 4.42Å; V1745-R1747 HydrophobicContact CG1-CG 3.83Å; V1745-R1747 PolarHBondContact O-N 3.04Å | ||
| 1746 | N | 21.1 | Very low | 22.3 | Very low | 157 Ų | 157 | 147.4 Ų | 147.4 | 84% | 0.84 | 79% | 0.786 | S | S | * | * | trans | -77.2 | 106.5 | 159.8 | -124.6 | -13.1 | 0 | 0 | 0 | 107.4 | S1748 | N1746-S1748 PolarHBondContact O-N 3.18Š| ||
| 1747 | R | 22.5 | Very low | 22.4 | Very low | 214 Ų | 214 | 146.3 Ų | 146.3 | 81% | 0.808 | 79% | 0.785 | S | S | * | * | trans | -93.3 | 82.3 | 177.6 | -106.1 | -179.6 | -173.8 | -173.5 | 2.4 | 111.5 | V1745 N1749 | V1745-R1747 HydrophobicContact CG1-CB 4.42Å; V1745-R1747 HydrophobicContact CG1-CG 3.83Å; V1745-R1747 PolarHBondContact O-N 3.04Å; R1747-N1749 PolarHBondContact O-N 3.21Å | ||
| 1748 | S | 21.8 | Very low | 22.5 | Very low | 108 Ų | 108 | 144.4 Ų | 144.4 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | trans | -69.7 | 97.6 | 159 | 52.1 | 0 | 0 | 0 | 0 | 109.7 | N1746 S1750 | N1746-S1748 PolarHBondContact O-N 3.18Å; S1748-S1750 PolarHBondContact O-N 3.4Å | ||
| 1749 | N | 24.9 | Very low | 22.9 | Very low | 148 Ų | 148 | 144.1 Ų | 144.1 | 79% | 0.791 | 78% | 0.78 | S | S | * | * | trans | -81.1 | 93.2 | 166.9 | -86.8 | 8 | 0 | 0 | 0 | 109.5 | R1747 S1751 | R1747-N1749 PolarHBondContact O-N 3.21Å; N1749-S1751 PolarHBondContact O-N 3.04Å | ||
| 1750 | S | 22.4 | Very low | 23.5 | Very low | 112 Ų | 112 | 142.1 Ų | 142.1 | 78% | 0.783 | 78% | 0.776 | S | S | * | * | trans | -60.8 | 123.4 | 161.2 | 50.7 | 0 | 0 | 0 | 0 | 110.3 | S1748 | S1748-S1750 PolarHBondContact O-N 3.4Š| ||
| 1751 | S | 23.6 | Very low | 24.3 | Very low | 118 Ų | 118 | 141.6 Ų | 141.6 | 83% | 0.825 | 76% | 0.764 | S | S | * | * | trans | -120.3 | 94 | 161.4 | -174.9 | 0 | 0 | 0 | 0 | 107.2 | N1749 | N1749-S1751 PolarHBondContact O-N 3.04Š| ||
| 1752 | T | 21.3 | Very low | 25.2 | Very low | 117 Ų | 117 | 139.9 Ų | 139.9 | 72% | 0.718 | 76% | 0.756 | S | S | * | * | trans | -65.4 | 130.9 | 172.4 | 44.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1753 | D | 25.2 | Very low | 25.7 | Very low | 169 Ų | 169 | 136 Ų | 136 | 90% | 0.904 | 74% | 0.742 | S | S | * | * | trans | -143.3 | 134 | 142.6 | -108.9 | -35.5 | 0 | 0 | 0 | 110.2 | ||||
| 1754 | L | 18.8 | Very low | 26.4 | Very low | 154 Ų | 154 | 136.7 Ų | 136.7 | 81% | 0.806 | 74% | 0.739 | S | S | * | * | trans | -102.2 | 168.9 | -170.8 | -97.6 | 149.3 | 0 | 0 | 0 | 110.9 | ||||
| 1755 | K | 21.8 | Very low | 27.4 | Very low | 184 Ų | 184 | 136.2 Ų | 136.2 | 80% | 0.8 | 73% | 0.73 | S | S | * | * | trans | 86 | 140.2 | 172.2 | -54.6 | 174 | 179.1 | 175.1 | 0 | 115 | ||||
| 1756 | M | 21.3 | Very low | 28.1 | Very low | 166 Ų | 166 | 137.3 Ų | 137.3 | 82% | 0.818 | 73% | 0.728 | S | S | * | * | cis | -150.3 | 141.8 | -7.4 | -118.4 | 159.1 | 80.9 | 0 | 0 | 110.2 | ||||
| 1757 | T | 25.2 | Very low | 28.7 | Very low | 111 Ų | 111 | 135 Ų | 135 | 68% | 0.681 | 71% | 0.714 | S | S | * | * | trans | -75 | 126.2 | 175.5 | -28.7 | 0 | 0 | 0 | 0 | 110.3 | K1759 | T1757-K1759 HydrophobicContact CG2-CD 4.25Å; T1757-K1759 HydrophobicContact CG2-CG 3.93Å | ||
| 1758 | L | 27.1 | Very low | 29.3 | Very low | 172 Ų | 172 | 132.4 Ų | 132.4 | 90% | 0.901 | 71% | 0.708 | S | S | * | * | trans | -101 | 98.4 | 159.1 | -80.1 | 174.8 | 0 | 0 | 0 | 108.8 | ||||
| 1759 | K | 29.3 | Very low | 30.4 | Very low | 143 Ų | 143 | 134.4 Ų | 134.4 | 62% | 0.622 | 71% | 0.706 | S | S | * | * | trans | -119.2 | 95.6 | 167.9 | -83.2 | -177.9 | 178.9 | 179.3 | 0 | 108.3 | S600 T1757 | S600-K1759 PolarHBondContact OG-NZ 3.03Å; T1757-K1759 HydrophobicContact CG2-CD 4.25Å; T1757-K1759 HydrophobicContact CG2-CG 3.93Å | ||
| 1760 | S | 35.4 | Very low | 30.6 | Very low | 84 Ų | 84 | 134.2 Ų | 134.2 | 59% | 0.587 | 70% | 0.702 | S | S | * | * | trans | -155.6 | 126.2 | 158.1 | 53.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1761 | E | 40.2 | Very low | 31 | Very low | 130 Ų | 130 | 137.8 Ų | 137.8 | 61% | 0.607 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -89.2 | -12 | -162.4 | -150 | 159 | -150.6 | 0 | 0 | 113.8 | H598 C1763 I1764 K1765 | H598-E1761 IonicContact CE1-OE1 3.42Å; H598-E1761 IonicContact CE1-OE2 2.84Å; H598-E1761 PolarHBondContact CE1-OE2 2.93Å; H598-E1761 IonicContact NE2-OE2 2.66Å; H598-E1761 PolarHBondContact NE2-OE2 3.43Å; E1761-C1763 VanDerWaalsContact C-N 3.28Å; E1761-C1763 PolarHBondContact O-N 3.36Å; E1761-I1764 PolarHBondContact O-N 3.47Å; E1761-K1765 PolarHBondContact O-N 2.91Å |
| 1762 | D | 39.9 | Very low | 31.5 | Very low | 117 Ų | 117 | 140.9 Ų | 140.9 | 63% | 0.626 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -60.3 | -37.7 | 176.4 | -57.4 | -53.8 | 0 | 0 | 0 | 112.1 | I1764 K1765 E1766 | D1762-I1764 VanDerWaalsContact C-N 3.26Å; D1762-I1764 PolarHBondContact O-N 3.14Å; D1762-K1765 VanDerWaalsContact O-CB 3.31Å; D1762-K1765 WeakPolarHBondContact O-CB 3.49Å; D1762-K1765 PolarHBondContact O-N 2.93Å; D1762-E1766 PolarHBondContact O-N 3.3Å |
| 1763 | C | 31.2 | Very low | 31.8 | Very low | 78 Ų | 78 | 140 Ų | 140 | 53% | 0.527 | 70% | 0.701 | S | S | . | * | H | α-helix | trans | -68.9 | -18 | -174 | -161.9 | 0 | 0 | 0 | 0 | 114.3 | E1761 I1767 | E1761-C1763 VanDerWaalsContact C-N 3.28Å; E1761-C1763 PolarHBondContact O-N 3.36Å; C1763-I1767 WeakPolarHBondContact O-CD1 3.21Å |
| 1764 | I | 37.3 | Very low | 32 | Very low | 113 Ų | 113 | 138.2 Ų | 138.2 | 58% | 0.579 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -99.7 | -18.4 | 173.1 | -62.7 | 178 | 0 | 0 | 0 | 110.8 | E1761 D1762 I1767 K1768 | E1761-I1764 PolarHBondContact O-N 3.47Å; D1762-I1764 VanDerWaalsContact C-N 3.26Å; D1762-I1764 PolarHBondContact O-N 3.14Å; I1764-I1767 PolarHBondContact O-N 2.88Å; I1764-K1768 PolarHBondContact O-N 2.96Å |
| 1765 | K | 43.2 | Very low | 32.5 | Very low | 149 Ų | 149 | 137 Ų | 137 | 65% | 0.648 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -69 | -40.6 | 176.1 | -149.3 | 172 | -176.2 | 177.7 | 0 | 111.2 | E1761 D1762 I1767 K1768 E1769 | E1761-K1765 PolarHBondContact O-N 2.91Å; D1762-K1765 VanDerWaalsContact O-CB 3.31Å; D1762-K1765 WeakPolarHBondContact O-CB 3.49Å; D1762-K1765 PolarHBondContact O-N 2.93Å; K1765-I1767 PolarHBondContact O-N 3.22Å; K1765-K1768 PolarHBondContact O-N 3.03Å; K1765-E1769 PolarHBondContact O-N 2.96Å |
| 1766 | E | 36.5 | Very low | 32.6 | Very low | 140 Ų | 140 | 136.1 Ų | 136.1 | 65% | 0.654 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -59.2 | -43.5 | 170.5 | -75.5 | -175 | 128.4 | 0 | 0 | 112.6 | D1762 K1768 E1769 M1770 | D1762-E1766 PolarHBondContact O-N 3.3Å; E1766-K1768 PolarHBondContact O-N 3.37Å; E1766-E1769 PolarHBondContact O-N 3.46Å; E1766-M1770 PolarHBondContact O-N 3.27Å |
| 1767 | I | 33.8 | Very low | 32.8 | Very low | 108 Ų | 108 | 139.7 Ų | 139.7 | 55% | 0.554 | 72% | 0.721 | S | S | * | * | H | α-helix | trans | -67 | -20.9 | -178.2 | -61.6 | 175.5 | 0 | 0 | 0 | 112.1 | C1763 I1764 K1765 | C1763-I1767 WeakPolarHBondContact O-CD1 3.21Å; I1764-I1767 PolarHBondContact O-N 2.88Å; K1765-I1767 PolarHBondContact O-N 3.22Å |
| 1768 | K | 35.7 | Very low | 33.2 | Very low | 159 Ų | 159 | 141.1 Ų | 141.1 | 69% | 0.691 | 72% | 0.723 | S | S | * | * | H | α-helix | trans | -89.5 | -18.3 | 176 | -89.3 | -177.5 | 175.6 | 174.1 | 0 | 115.3 | I1764 K1765 E1766 | I1764-K1768 PolarHBondContact O-N 2.96Å; K1765-K1768 PolarHBondContact O-N 3.03Å; E1766-K1768 PolarHBondContact O-N 3.37Å |
| 1769 | E | 44 | Very low | 33.5 | Very low | 150 Ų | 150 | 139.5 Ų | 139.5 | 70% | 0.701 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -79.9 | -44.8 | 170.8 | -79.3 | -73.5 | 122.6 | 0 | 0 | 110.7 | K1765 E1766 F1771 K1772 | K1765-E1769 PolarHBondContact O-N 2.96Å; E1766-E1769 PolarHBondContact O-N 3.46Å; E1769-F1771 PolarHBondContact O-N 3.4Å; E1769-K1772 PolarHBondContact O-N 2.94Å |
| 1770 | M | 29.3 | Very low | 33.8 | Very low | 145 Ų | 145 | 139.3 Ų | 139.3 | 71% | 0.714 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60 | -20.7 | -173.2 | -77.7 | -174.5 | 66.1 | 0 | 0 | 116.3 | E1766 | E1766-M1770 PolarHBondContact O-N 3.27Š|
| 1771 | F | 30.1 | Very low | 33.7 | Very low | 186 Ų | 186 | 142.5 Ų | 142.5 | 82% | 0.816 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.2 | 19.5 | -178.2 | -82 | -78.7 | 0 | 0 | 0 | 114.3 | E1769 | E1769-F1771 PolarHBondContact O-N 3.4Š|
| 1772 | K | 34.4 | Very low | 33.3 | Very low | 184 Ų | 184 | 143.3 Ų | 143.3 | 80% | 0.8 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -118.9 | 12.3 | -177.4 | -128.5 | -176.2 | -178.1 | -171.1 | 0 | 116.1 | E1769 | E1769-K1772 PolarHBondContact O-N 2.94Š|
| 1773 | S | 29 | Very low | 32.8 | Very low | 98 Ų | 98 | 145.1 Ų | 145.1 | 69% | 0.685 | 74% | 0.741 | S | S | * | * | trans | -138.2 | 46.7 | -175.7 | 68.5 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1774 | V | 29.2 | Very low | 32.9 | Very low | 131 Ų | 131 | 149.9 Ų | 149.9 | 79% | 0.794 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -129.9 | 93.4 | 167.3 | -176.4 | 0 | 0 | 0 | 0 | 110.6 | ||
| 1775 | T | 29 | Very low | 32.6 | Very low | 130 Ų | 130 | 152.7 Ų | 152.7 | 80% | 0.798 | 77% | 0.769 | S | S | * | * | trans | 51.8 | 121 | 153.3 | 50.7 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1776 | L | 23.1 | Very low | 31.7 | Very low | 164 Ų | 164 | 153 Ų | 153 | 86% | 0.859 | 78% | 0.78 | S | S | * | * | trans | -66.9 | 144.1 | 149.9 | -67.8 | 99.9 | 0 | 0 | 0 | 110.7 | ||||
| 1777 | D | 26.5 | Very low | 31.3 | Very low | 241 Ų | 241 | 154.2 Ų | 154.2 | 100% | 1.289 | 79% | 0.791 | S | S | * | * | -148 | 0 | 114.9 | -99.6 | -23.8 | 0 | 0 | 0 | 108.5 |
Retrieved 1,777 of 1,777 residues in 582.3 ms
(Link to these results)