| 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 | 73 | Confident | 93.1 | Very high | 99 Ų | 99 | 18.9 Ų | 18.9 | 49% | 0.488 | 10% | 0.101 | S | C | . | . | 0 | 134.9 | 0 | -176.3 | 169.4 | -73.5 | 0 | 0 | 108.4 | D139 S384 | M1-D139 HydrophobicContact CE-CB 4.37Å; M1-D139 HydrophobicContact CG-CB 4.15Å; M1-D139 WeakPolarHBondContact CG-OD2 3.46Å; M1-D139 HydrophobicContact SD-CB 4.37Å; M1-S384 PolarHBondContact SD-OG 2.9Å | |||
| 2 | S | 86.4 | Confident | 93.3 | Very high | 18 Ų | 18 | 19.4 Ų | 19.4 | 13% | 0.126 | 11% | 0.107 | C | C | . | . | trans | -97.3 | 138.7 | 171.6 | -64.4 | 0 | 0 | 0 | 0 | 107.9 | P136 | S2-P136 PolarHBondContact OG-O 3.24Š| ||
| 3 | V | 92.3 | Very high | 93.6 | Very high | 3 Ų | 3 | 17.9 Ų | 17.9 | 2% | 0.018 | 10% | 0.099 | C | C | . | . | trans | -100.3 | 113.6 | 178.6 | 165 | 0 | 0 | 0 | 0 | 108.6 | V17 A18 I23 A377 C380 A381 F387 | V3-V17 WeakPolarHBondContact O-CA 3.39Å; V3-A18 HydrophobicContact CB-CB 3.79Å; V3-A18 HydrophobicContact CG1-CB 3.77Å; V3-A18 PolarHBondContact O-N 2.9Å; V3-I23 HydrophobicContact CG1-CD1 4.4Å; V3-A377 VanDerWaalsContact CG1-O 3.31Å; V3-A377 WeakPolarHBondContact CG1-O 3.43Å; V3-C380 HydrophobicContact CG1-CB 4.06Å; V3-A381 HydrophobicContact CG1-CB 3.9Å; V3-A381 HydrophobicContact CG2-CB 4.43Å; V3-F387 HydrophobicContact CB-CE2 4.3Å; V3-F387 HydrophobicContact CB-CZ 4.5Å; V3-F387 HydrophobicContact CG2-CD2 3.42Å; V3-F387 VanDerWaalsContact CG2-CD2 3.42Å; V3-F387 HydrophobicContact CG2-CE2 3.52Å; V3-F387 HydrophobicContact CG2-CG 3.97Å; V3-F387 HydrophobicContact CG2-CZ 4.13Å | ||
| 4 | V | 97.5 | Very high | 94 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 130.2 | -175.6 | -172.7 | 0 | 0 | 0 | 0 | 111 | F6 V15 A16 V17 A129 L133 V137 C140 V141 C380 | V4-F6 HydrophobicContact CG1-CD1 4.03Å; V4-F6 HydrophobicContact CG1-CE1 3.46Å; V4-F6 VanDerWaalsContact CG1-CE1 3.46Å; V4-F6 HydrophobicContact CG1-CE2 4.02Å; V4-F6 HydrophobicContact CG1-CZ 3.47Å; V4-F6 VanDerWaalsContact CG1-CZ 3.47Å; V4-V15 HydrophobicContact CG1-CG1 4.15Å; V4-A16 WeakPolarHBondContact CA-O 3.5Å; V4-V17 HydrophobicContact CG1-CG1 4.46Å; V4-V17 HydrophobicContact CG2-CG1 4.26Å; V4-A129 HydrophobicContact CG1-CB 3.8Å; V4-A129 HydrophobicContact CG2-CB 4.05Å; V4-L133 HydrophobicContact CG2-CD1 3.96Å; V4-V137 HydrophobicContact CB-CG1 4.2Å; V4-V137 HydrophobicContact CG2-CB 4.42Å; V4-V137 HydrophobicContact CG2-CG1 3.69Å; V4-V137 HydrophobicContact CG2-CG2 3.76Å; V4-C140 WeakPolarHBondContact O-CA 3.36Å; V4-V141 PolarHBondContact O-N 3.46Å; V4-V141 VanDerWaalsContact O-N 3.08Å; V4-C380 PolarHBondContact N-SG 2.98Å; V4-C380 VanDerWaalsContact N-SG 3.41Å |
| 5 | G | 98.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 128.5 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | A16 V141 | G5-A16 PolarHBondContact N-O 2.89Å; G5-A16 PolarHBondContact O-N 2.77Å; G5-V141 WeakPolarHBondContact CA-O 3.47Å |
| 6 | F | 98.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 120.8 | 173.6 | -60.9 | -55 | 0 | 0 | 0 | 109.5 | V4 V15 L122 L125 K126 A129 C140 V141 I142 S143 L165 | V4-F6 HydrophobicContact CG1-CD1 4.03Å; V4-F6 HydrophobicContact CG1-CE1 3.46Å; V4-F6 VanDerWaalsContact CG1-CE1 3.46Å; V4-F6 HydrophobicContact CG1-CE2 4.02Å; V4-F6 HydrophobicContact CG1-CZ 3.47Å; V4-F6 VanDerWaalsContact CG1-CZ 3.47Å; F6-V15 HydrophobicContact CD1-CB 4.46Å; F6-V15 HydrophobicContact CD1-CG1 4.09Å; F6-V15 HydrophobicContact CD1-CG2 4.03Å; F6-V15 HydrophobicContact CE1-CG1 3.83Å; F6-V15 HydrophobicContact CE1-CG2 4.14Å; F6-L122 HydrophobicContact CD2-CD2 4.4Å; F6-L125 HydrophobicContact CB-CD1 4.37Å; F6-L125 HydrophobicContact CD1-CB 3.65Å; F6-L125 HydrophobicContact CD1-CD1 4.14Å; F6-L125 HydrophobicContact CE1-CB 3.54Å; F6-L125 WeakPolarHBondContact CE1-O 3.49Å; F6-L125 HydrophobicContact CG-CB 4.45Å; F6-L125 HydrophobicContact CG-CD1 4.41Å; F6-L125 HydrophobicContact CZ-CB 4.26Å; F6-K126 HydrophobicContact CZ-CB 4.5Å; F6-A129 HydrophobicContact CE1-CB 4.38Å; F6-C140 HydrophobicContact CD2-CB 3.78Å; F6-C140 HydrophobicContact CE2-CB 3.54Å; F6-V141 PolarHBondContact N-O 2.83Å; F6-I142 HydrophobicContact CB-CG1 4.33Å; F6-I142 HydrophobicContact CD2-CG1 4.01Å; F6-S143 PolarHBondContact O-N 2.81Å; F6-L165 HydrophobicContact CD2-CD1 4.49Å; F6-L165 HydrophobicContact CE2-CD1 3.76Å; F6-L165 HydrophobicContact CE2-CD2 4.25Å; F6-L165 HydrophobicContact CZ-CD1 4.48Å |
| 7 | D | 98.3 | Very high | 94.6 | Very high | 15 Ų | 15 | 15.5 Ų | 15.5 | 8% | 0.08 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 119.3 | 154.2 | 179.9 | 38.3 | 0 | 0 | 0 | 109.1 | C13 Y14 S143 V372 A373 | D7-C13 CarbonylContact O-C 3.56Å; D7-C13 WeakPolarHBondContact O-CA 3.49Å; D7-C13 WeakPolarHBondContact O-CB 3.5Å; D7-Y14 PolarHBondContact N-O 3.38Å; D7-Y14 PolarHBondContact O-N 3.06Å; D7-S143 WeakPolarHBondContact CA-OG 3.36Å; D7-S143 PolarHBondContact OD1-OG 3.04Å; D7-V372 HydrophobicContact CB-CB 3.99Å; D7-V372 HydrophobicContact CB-CG1 3.89Å; D7-V372 VanDerWaalsContact OD1-CG1 3.23Å; D7-V372 WeakPolarHBondContact OD1-CG1 3.44Å; D7-A373 HydrophobicContact CB-CB 3.82Å |
| 8 | L | 96.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 9% | 0.085 | C | C | . | . | trans | -104.9 | 54.8 | -175.5 | -170.1 | 69.1 | 0 | 0 | 0 | 110 | K68 T118 L121 L122 L125 I142 S143 V156 | L8-K68 HydrophobicContact CG-CD 4.16Å; L8-K68 WeakPolarHBondContact O-CD 3.22Å; L8-K68 VanDerWaalsContact O-CE 3.27Å; L8-K68 WeakPolarHBondContact O-CE 3.37Å; L8-K68 PolarHBondContact O-NZ 3.36Å; L8-T118 HydrophobicContact CD2-CG2 3.87Å; L8-L121 HydrophobicContact CD1-CD2 4.03Å; L8-L121 HydrophobicContact CD1-CG 4.32Å; L8-L122 HydrophobicContact CD1-CD2 3.99Å; L8-L122 HydrophobicContact CD1-CG 4.34Å; L8-L122 HydrophobicContact CD2-CD2 4.48Å; L8-L125 HydrophobicContact CD1-CD1 4.11Å; L8-I142 HydrophobicContact CB-CG2 4.17Å; L8-I142 HydrophobicContact CD2-CG2 4Å; L8-S143 PolarHBondContact N-OG 3.27Å; L8-V156 HydrophobicContact CD2-CG1 4.26Å | ||
| 9 | G | 94.4 | Very high | 94.1 | Very high | 12 Ų | 12 | 20.7 Ų | 20.7 | 12% | 0.124 | 10% | 0.104 | C | C | . | . | trans | -64.8 | 161.8 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q11 S12 S37 | G9-Q11 VanDerWaalsContact C-N 3.32Å; G9-Q11 PolarHBondContact O-N 2.83Å; G9-S12 CarbonylContact C-O 3.53Å; G9-S12 WeakPolarHBondContact CA-O 3.29Å; G9-S12 PolarHBondContact N-O 3.37Å; G9-S37 PolarHBondContact O-OG 2.92Å | ||
| 10 | F | 94.1 | Very high | 93.4 | Very high | 22 Ų | 22 | 25.2 Ų | 25.2 | 10% | 0.096 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -66 | -26.2 | -175 | -80 | -86.2 | 0 | 0 | 0 | 115.4 | K68 R69 P145 Y148 H205 | F10-K68 HydrophobicContact CD1-CB 3.68Å; F10-K68 HydrophobicContact CE1-CB 3.67Å; F10-R69 HydrophobicContact CE1-CB 3.96Å; F10-P145 HydrophobicContact CE2-CG 3.89Å; F10-P145 HydrophobicContact CZ-CG 4.34Å; F10-Y148 HydrophobicContact CZ-CE1 4.36Å; F10-H205 HydrophobicContact CB-CB 4.34Å |
| 11 | Q | 94.2 | Very high | 92.8 | Very high | 39 Ų | 39 | 28.5 Ų | 28.5 | 18% | 0.182 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -120.1 | -32.9 | -178.1 | -167 | -163.1 | 17.1 | 0 | 0 | 112.5 | G9 P36 S37 H205 E271 | G9-Q11 VanDerWaalsContact C-N 3.32Å; G9-Q11 PolarHBondContact O-N 2.83Å; Q11-P36 WeakPolarHBondContact O-CA 3.31Å; Q11-S37 VanDerWaalsContact C-OG 3.27Å; Q11-S37 PolarHBondContact O-N 3.35Å; Q11-H205 HydrophobicContact CB-CB 3.79Å; Q11-H205 PolarHBondContact OE1-CD2 3.32Å; Q11-E271 PolarHBondContact NE2-OE1 2.98Å; Q11-E271 PolarHBondContact NE2-OE2 2.84Å |
| 12 | S | 95.1 | Very high | 93.6 | Very high | 25 Ų | 25 | 25.4 Ų | 25.4 | 18% | 0.175 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 141.4 | -172.7 | -61.7 | 0 | 0 | 0 | 0 | 108.6 | G9 C34 S37 | G9-S12 CarbonylContact C-O 3.53Å; G9-S12 WeakPolarHBondContact CA-O 3.29Å; G9-S12 PolarHBondContact N-O 3.37Å; S12-C34 WeakPolarHBondContact CB-SG 3.44Å; S12-C34 PolarHBondContact OG-SG 3.34Å; S12-S37 PolarHBondContact N-OG 2.89Å |
| 13 | C | 97.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 149 | 173.7 | -63.5 | 0 | 0 | 0 | 0 | 109.9 | D7 T35 S37 L125 | D7-C13 CarbonylContact O-C 3.56Å; D7-C13 WeakPolarHBondContact O-CA 3.49Å; D7-C13 WeakPolarHBondContact O-CB 3.5Å; C13-T35 PolarHBondContact N-O 2.72Å; C13-T35 PolarHBondContact O-N 3.22Å; C13-S37 PolarHBondContact SG-OG 2.98Å; C13-L125 HydrophobicContact CB-CD1 3.73Å; C13-L125 HydrophobicContact CB-CD2 3.71Å; C13-L125 HydrophobicContact CB-CG 4.34Å |
| 14 | Y | 98.4 | Very high | 94 | Very high | 30 Ų | 30 | 28.2 Ų | 28.2 | 12% | 0.118 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 141 | 177.7 | -62.5 | -88.2 | 0 | 0 | 0 | 110.3 | D7 R33 C34 D369 A373 | D7-Y14 PolarHBondContact N-O 3.38Å; D7-Y14 PolarHBondContact O-N 3.06Å; Y14-R33 WeakPolarHBondContact CD1-O 3.38Å; Y14-C34 HydrophobicContact CE1-CB 3.72Å; Y14-D369 WeakPolarHBondContact CD2-O 3.24Å; Y14-D369 HydrophobicContact CE1-CB 4.22Å; Y14-D369 HydrophobicContact CE2-CB 4.11Å; Y14-A373 WeakPolarHBondContact O-CB 3.34Å |
| 15 | V | 98.5 | Very high | 94 | Very high | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.006 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 126.7 | 179.6 | -174.9 | 0 | 0 | 0 | 0 | 108.6 | V4 F6 V17 T25 V26 L125 T128 A129 | V4-V15 HydrophobicContact CG1-CG1 4.15Å; F6-V15 HydrophobicContact CD1-CB 4.46Å; F6-V15 HydrophobicContact CD1-CG1 4.09Å; F6-V15 HydrophobicContact CD1-CG2 4.03Å; F6-V15 HydrophobicContact CE1-CG1 3.83Å; F6-V15 HydrophobicContact CE1-CG2 4.14Å; V15-V17 HydrophobicContact CG1-CG1 4.37Å; V15-T25 CarbonylContact O-C 3.55Å; V15-T25 VanDerWaalsContact O-CA 3.23Å; V15-T25 WeakPolarHBondContact O-CA 3.42Å; V15-V26 HydrophobicContact CB-CG2 3.7Å; V15-V26 HydrophobicContact CG1-CG2 3.63Å; V15-V26 PolarHBondContact O-N 3.36Å; V15-L125 HydrophobicContact CG2-CB 3.98Å; V15-L125 HydrophobicContact CG2-CD2 3.8Å; V15-L125 HydrophobicContact CG2-CG 4.38Å; V15-T128 HydrophobicContact CG2-CG2 4.23Å; V15-A129 HydrophobicContact CG1-CB 3.86Å |
| 16 | A | 98.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 145.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | V4 G5 I23 E24 T25 A373 A377 | V4-A16 WeakPolarHBondContact CA-O 3.5Å; G5-A16 PolarHBondContact N-O 2.89Å; G5-A16 PolarHBondContact O-N 2.77Å; A16-I23 HydrophobicContact CB-CG2 4.25Å; A16-E24 CarbonylContact C-O 3.6Å; A16-E24 WeakPolarHBondContact CA-O 3.36Å; A16-T25 HydrophobicContact CB-CG2 4.1Å; A16-A373 HydrophobicContact CB-CB 3.95Å; A16-A373 WeakPolarHBondContact CB-O 3.3Å; A16-A377 HydrophobicContact CB-CB 3.69Å |
| 17 | V | 96.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 162 | -178.5 | -51 | 0 | 0 | 0 | 0 | 111.1 | V3 V4 V15 I23 E24 V26 A129 L133 | V3-V17 WeakPolarHBondContact O-CA 3.39Å; V4-V17 HydrophobicContact CG1-CG1 4.46Å; V4-V17 HydrophobicContact CG2-CG1 4.26Å; V15-V17 HydrophobicContact CG1-CG1 4.37Å; V17-I23 WeakPolarHBondContact O-CA 3.17Å; V17-E24 HydrophobicContact CG2-CG 4.48Å; V17-E24 PolarHBondContact N-O 2.67Å; V17-E24 PolarHBondContact O-N 3.3Å; V17-E24 VanDerWaalsContact O-N 3.07Å; V17-V26 HydrophobicContact CB-CG1 4.49Å; V17-V26 HydrophobicContact CG1-CG1 4.15Å; V17-V26 HydrophobicContact CG1-CG2 4.4Å; V17-V26 HydrophobicContact CG2-CG1 3.59Å; V17-A129 HydrophobicContact CG1-CB 4.34Å; V17-L133 HydrophobicContact CB-CD1 4.25Å; V17-L133 HydrophobicContact CB-CD2 4.01Å; V17-L133 HydrophobicContact CB-CG 4.22Å; V17-L133 HydrophobicContact CG1-CD1 4.13Å; V17-L133 HydrophobicContact CG1-CG 4.2Å; V17-L133 HydrophobicContact CG2-CD2 3.89Å; V17-L133 HydrophobicContact CG2-CG 4.36Å |
| 18 | A | 92.9 | Very high | 93.8 | Very high | 15 Ų | 15 | 30.9 Ų | 30.9 | 12% | 0.124 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 122.6 | 166.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | V3 G22 I23 F387 | V3-A18 HydrophobicContact CB-CB 3.79Å; V3-A18 HydrophobicContact CG1-CB 3.77Å; V3-A18 PolarHBondContact O-N 2.9Å; A18-G22 WeakPolarHBondContact CA-O 3.43Å; A18-I23 HydrophobicContact CB-CD1 3.75Å; A18-F387 HydrophobicContact CB-CD1 4.3Å; A18-F387 HydrophobicContact CB-CE1 3.7Å; A18-F387 HydrophobicContact CB-CZ 4.13Å |
| 19 | R | 85.9 | Confident | 93.6 | Very high | 115 Ų | 115 | 35.7 Ų | 35.7 | 43% | 0.434 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 143.9 | 173.9 | -165.1 | -170.9 | -78.4 | 160.8 | -16.7 | 109.7 | G21 G22 E24 A132 | R19-G21 PolarHBondContact O-N 2.82Å; R19-G22 PolarHBondContact N-O 3.33Å; R19-G22 CarbonylContact O-C 3.51Å; R19-G22 PolarHBondContact O-N 2.98Å; R19-G22 VanDerWaalsContact O-O 3.09Å; R19-E24 HydrophobicContact CB-CG 4.28Å; R19-E24 WeakPolarHBondContact CD-OE1 3.35Å; R19-E24 IonicContact CZ-OE1 3.63Å; R19-E24 IonicContact NE-OE1 2.73Å; R19-E24 PolarHBondContact NE-OE1 2.73Å; R19-E24 IonicContact NH1-OE1 2.69Å; R19-E24 PolarHBondContact NH1-OE1 2.84Å; R19-A132 PolarHBondContact NH2-O 3.3Å |
| 20 | A | 81.2 | Confident | 93.6 | Very high | 110 Ų | 110 | 41.2 Ų | 41.2 | 91% | 0.909 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | 31.8 | 174 | 0 | 0 | 0 | 0 | 0 | 115.7 | G22 | A20-G22 VanDerWaalsContact C-N 3.3Å; A20-G22 PolarHBondContact O-N 3.03Å |
| 21 | G | 80.4 | Confident | 93.7 | Very high | 94 Ų | 94 | 45.1 Ų | 45.1 | 97% | 0.969 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.1 | -1.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | R19 | R19-G21 PolarHBondContact O-N 2.82Š|
| 22 | G | 88.6 | Confident | 93.8 | Very high | 35 Ų | 35 | 47.6 Ų | 47.6 | 36% | 0.361 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 179.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | A18 R19 A20 | A18-G22 WeakPolarHBondContact CA-O 3.43Å; R19-G22 PolarHBondContact N-O 3.33Å; R19-G22 CarbonylContact O-C 3.51Å; R19-G22 PolarHBondContact O-N 2.98Å; R19-G22 VanDerWaalsContact O-O 3.09Å; A20-G22 VanDerWaalsContact C-N 3.3Å; A20-G22 PolarHBondContact O-N 3.03Å |
| 23 | I | 94.1 | Very high | 93.9 | Very high | 19 Ų | 19 | 52.2 Ų | 52.2 | 10% | 0.097 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 127.4 | 169.4 | -60.5 | -57.8 | 0 | 0 | 0 | 108.6 | V3 A16 V17 A18 R374 A377 L378 | V3-I23 HydrophobicContact CG1-CD1 4.4Å; A16-I23 HydrophobicContact CB-CG2 4.25Å; V17-I23 WeakPolarHBondContact O-CA 3.17Å; A18-I23 HydrophobicContact CB-CD1 3.75Å; I23-R374 HydrophobicContact CG2-CB 4.36Å; I23-R374 HydrophobicContact CG2-CG 4.38Å; I23-R374 PolarHBondContact O-NH1 3.27Å; I23-A377 HydrophobicContact CD1-CB 4.28Å; I23-A377 HydrophobicContact CG2-CB 3.64Å; I23-L378 HydrophobicContact CG1-CD2 3.67Å; I23-L378 HydrophobicContact CG1-CG 3.96Å |
| 24 | E | 94.4 | Very high | 93.8 | Very high | 60 Ų | 60 | 53.7 Ų | 53.7 | 28% | 0.28 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 152.1 | 179 | 60.5 | 172.8 | -163.2 | 0 | 0 | 111.7 | A16 V17 R19 | A16-E24 CarbonylContact C-O 3.6Å; A16-E24 WeakPolarHBondContact CA-O 3.36Å; V17-E24 HydrophobicContact CG2-CG 4.48Å; V17-E24 PolarHBondContact N-O 2.67Å; V17-E24 PolarHBondContact O-N 3.3Å; V17-E24 VanDerWaalsContact O-N 3.07Å; R19-E24 HydrophobicContact CB-CG 4.28Å; R19-E24 WeakPolarHBondContact CD-OE1 3.35Å; R19-E24 IonicContact CZ-OE1 3.63Å; R19-E24 IonicContact NE-OE1 2.73Å; R19-E24 PolarHBondContact NE-OE1 2.73Å; R19-E24 IonicContact NH1-OE1 2.69Å; R19-E24 PolarHBondContact NH1-OE1 2.84Å |
| 25 | T | 96.7 | Very high | 93.7 | Very high | 5 Ų | 5 | 52.4 Ų | 52.4 | 3% | 0.031 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 133.9 | 170.3 | 48.5 | 0 | 0 | 0 | 0 | 111.1 | V15 A16 R33 E370 R374 | V15-T25 CarbonylContact O-C 3.55Å; V15-T25 VanDerWaalsContact O-CA 3.23Å; V15-T25 WeakPolarHBondContact O-CA 3.42Å; A16-T25 HydrophobicContact CB-CG2 4.1Å; T25-R33 PolarHBondContact OG1-NH1 2.84Å; T25-E370 HydrophobicContact CG2-CB 3.74Å; T25-E370 HydrophobicContact CG2-CG 3.71Å; T25-E370 PolarHBondContact OG1-OE1 3.26Å; T25-E370 PolarHBondContact OG1-OE2 2.92Å; T25-R374 HydrophobicContact CG2-CG 4.13Å |
| 26 | V | 97.1 | Very high | 93.7 | Very high | 10 Ų | 10 | 52.8 Ų | 52.8 | 6% | 0.061 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -99.8 | 151.9 | -176.3 | -61.2 | 0 | 0 | 0 | 0 | 111.4 | V15 V17 T128 A132 | V15-V26 HydrophobicContact CB-CG2 3.7Å; V15-V26 HydrophobicContact CG1-CG2 3.63Å; V15-V26 PolarHBondContact O-N 3.36Å; V17-V26 HydrophobicContact CB-CG1 4.49Å; V17-V26 HydrophobicContact CG1-CG1 4.15Å; V17-V26 HydrophobicContact CG1-CG2 4.4Å; V17-V26 HydrophobicContact CG2-CG1 3.59Å; V26-T128 HydrophobicContact CG2-CG2 4.02Å; V26-A132 HydrophobicContact CB-CB 3.8Å; V26-A132 HydrophobicContact CG1-CB 3.61Å; V26-A132 HydrophobicContact CG2-CB 4.11Å |
| 27 | A | 97.3 | Very high | 93.7 | Very high | 46 Ų | 46 | 52.9 Ų | 52.9 | 38% | 0.38 | 32% | 0.317 | S | S | . | . | P | Polyproline II helix | trans | -85.2 | 152.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | S31 D32 T128 | A27-S31 WeakPolarHBondContact CB-O 3.5Å; A27-D32 CarbonylContact C-O 3.57Å; A27-D32 VanDerWaalsContact CA-O 3.31Å; A27-D32 WeakPolarHBondContact CA-O 3.49Å; A27-T128 WeakPolarHBondContact O-CG2 3.49Å |
| 28 | N | 96.1 | Very high | 93.7 | Very high | 11 Ų | 11 | 53.4 Ų | 53.4 | 6% | 0.059 | 32% | 0.319 | C | S | . | . | trans | -81 | -176 | 167.2 | 65.9 | 33.3 | 0 | 0 | 0 | 111.5 | Y30 S31 D32 C34 T35 T128 | N28-Y30 PolarHBondContact O-N 3.49Å; N28-Y30 VanDerWaalsContact O-N 3.15Å; N28-Y30 WeakPolarHBondContact OD1-CA 3.34Å; N28-Y30 WeakPolarHBondContact OD1-CB 3.32Å; N28-Y30 PolarHBondContact OD1-N 3.32Å; N28-S31 PolarHBondContact O-N 2.76Å; N28-D32 PolarHBondContact N-O 2.81Å; N28-D32 PolarHBondContact ND2-O 2.94Å; N28-D32 PolarHBondContact OD1-N 2.81Å; N28-D32 PolarHBondContact OD1-O 2.83Å; N28-C34 PolarHBondContact ND2-O 2.97Å; N28-T35 PolarHBondContact ND2-OG1 2.76Å; N28-T128 HydrophobicContact CB-CG2 4.33Å | ||
| 29 | E | 93.9 | Very high | 94 | Very high | 100 Ų | 100 | 52.7 Ų | 52.7 | 47% | 0.467 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -15.3 | -178.8 | 68.4 | -78.4 | -175.1 | 0 | 0 | 115.3 | S31 K124 | E29-S31 VanDerWaalsContact C-N 3.33Å; E29-K124 VanDerWaalsContact OE1-CE 3.3Å; E29-K124 WeakPolarHBondContact OE1-CE 3.33Å; E29-K124 IonicContact OE1-NZ 2.64Å; E29-K124 PolarHBondContact OE1-NZ 3.48Å; E29-K124 IonicContact OE2-NZ 3.14Å; E29-K124 PolarHBondContact OE2-NZ 3.07Å |
| 30 | Y | 94.3 | Very high | 94.5 | Very high | 128 Ų | 128 | 47.2 Ų | 47.2 | 50% | 0.502 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | 9.9 | 173.6 | -63.1 | -88.8 | 0 | 0 | 0 | 112.6 | N28 D32 A50 | N28-Y30 PolarHBondContact O-N 3.49Å; N28-Y30 VanDerWaalsContact O-N 3.15Å; N28-Y30 WeakPolarHBondContact OD1-CA 3.34Å; N28-Y30 WeakPolarHBondContact OD1-CB 3.32Å; N28-Y30 PolarHBondContact OD1-N 3.32Å; Y30-D32 PolarHBondContact O-N 3.37Å; Y30-A50 HydrophobicContact CD2-CB 3.49Å; Y30-A50 VanDerWaalsContact CD2-CB 3.49Å; Y30-A50 HydrophobicContact CE2-CB 3.66Å; Y30-A50 HydrophobicContact CG-CB 4.15Å |
| 31 | S | 96.5 | Very high | 95.4 | Very high | 104 Ų | 104 | 42 Ų | 42 | 73% | 0.727 | 25% | 0.249 | S | C | * | . | S | Bend | trans | 64.8 | 5.1 | -171.7 | -56 | 0 | 0 | 0 | 0 | 115.7 | A27 N28 E29 | A27-S31 WeakPolarHBondContact CB-O 3.5Å; N28-S31 PolarHBondContact O-N 2.76Å; E29-S31 VanDerWaalsContact C-N 3.33Å |
| 32 | D | 96.4 | Very high | 96.1 | Very high | 92 Ų | 92 | 38.2 Ų | 38.2 | 49% | 0.492 | 21% | 0.21 | S | C | . | . | trans | -78 | 132.3 | 173.4 | -92.2 | -38.7 | 0 | 0 | 0 | 111.5 | A27 N28 Y30 C34 | A27-D32 CarbonylContact C-O 3.57Å; A27-D32 VanDerWaalsContact CA-O 3.31Å; A27-D32 WeakPolarHBondContact CA-O 3.49Å; N28-D32 PolarHBondContact N-O 2.81Å; N28-D32 PolarHBondContact ND2-O 2.94Å; N28-D32 PolarHBondContact OD1-N 2.81Å; N28-D32 PolarHBondContact OD1-O 2.83Å; Y30-D32 PolarHBondContact O-N 3.37Å; D32-C34 PolarHBondContact O-N 2.84Å | ||
| 33 | R | 96.2 | Very high | 96.4 | Very high | 122 Ų | 122 | 40.4 Ų | 40.4 | 46% | 0.46 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -68.4 | -19.1 | 167.2 | -70.8 | -177.1 | 176.2 | -174.2 | 3.6 | 113 | Y14 T25 E370 | Y14-R33 WeakPolarHBondContact CD1-O 3.38Å; T25-R33 PolarHBondContact OG1-NH1 2.84Å; R33-E370 WeakPolarHBondContact CD-OE1 3.33Å; R33-E370 IonicContact CZ-OE1 2.66Å; R33-E370 IonicContact NE-OE1 3.59Å; R33-E370 IonicContact NH1-OE1 2.99Å; R33-E370 PolarHBondContact NH1-OE1 3.05Å; R33-E370 IonicContact NH1-OE2 3.19Å |
| 34 | C | 95.6 | Very high | 96.3 | Very high | 31 Ų | 31 | 43.4 Ų | 43.4 | 21% | 0.209 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 121.9 | -179.1 | 174.6 | 0 | 0 | 0 | 0 | 110.1 | S12 Y14 N28 D32 | S12-C34 WeakPolarHBondContact CB-SG 3.44Å; S12-C34 PolarHBondContact OG-SG 3.34Å; Y14-C34 HydrophobicContact CE1-CB 3.72Å; N28-C34 PolarHBondContact ND2-O 2.97Å; D32-C34 PolarHBondContact O-N 2.84Å |
| 35 | T | 98 | Very high | 96.4 | Very high | 3 Ų | 3 | 42.9 Ų | 42.9 | 2% | 0.018 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 111.3 | 171.4 | -59.7 | 0 | 0 | 0 | 0 | 109.2 | C13 N28 K124 L125 | C13-T35 PolarHBondContact N-O 2.72Å; C13-T35 PolarHBondContact O-N 3.22Å; N28-T35 PolarHBondContact ND2-OG1 2.76Å; T35-K124 HydrophobicContact CG2-CG 4.42Å; T35-L125 HydrophobicContact CG2-CD2 3.9Å |
| 36 | P | 97.6 | Very high | 96.4 | Very high | 9 Ų | 9 | 43 Ų | 43 | 6% | 0.058 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.7 | 141.3 | -179.1 | -27.8 | 35.2 | 0 | 0 | 0 | 113.6 | Q11 F38 G49 K53 | Q11-P36 WeakPolarHBondContact O-CA 3.31Å; P36-F38 HydrophobicContact CB-CD2 3.51Å; P36-F38 HydrophobicContact CB-CE2 4.09Å; P36-F38 HydrophobicContact CB-CG 4.3Å; P36-F38 PolarHBondContact O-N 3.43Å; P36-G49 WeakPolarHBondContact O-CA 3.4Å; P36-K53 HydrophobicContact CB-CB 4.05Å; P36-K53 HydrophobicContact CB-CD 3.88Å; P36-K53 HydrophobicContact CB-CG 4.49Å; P36-K53 HydrophobicContact CG-CB 4.1Å; P36-K53 HydrophobicContact CG-CD 3.6Å; P36-K53 HydrophobicContact CG-CG 4.47Å |
| 37 | S | 97.2 | Very high | 96.4 | Very high | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.007 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -78.7 | 58.9 | 178.7 | -50.5 | 0 | 0 | 0 | 0 | 112 | G9 Q11 S12 C13 F67 | G9-S37 PolarHBondContact O-OG 2.92Å; Q11-S37 VanDerWaalsContact C-OG 3.27Å; Q11-S37 PolarHBondContact O-N 3.35Å; S12-S37 PolarHBondContact N-OG 2.89Å; C13-S37 PolarHBondContact SG-OG 2.98Å; S37-F67 WeakPolarHBondContact O-CE1 3.4Å |
| 38 | F | 97.8 | Very high | 96.5 | Very high | 12 Ų | 12 | 41.9 Ų | 41.9 | 5% | 0.053 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 138.8 | -171.9 | -75.7 | -115 | 0 | 0 | 0 | 111.2 | P36 G49 A52 K53 V56 T63 V64 Q65 | P36-F38 HydrophobicContact CB-CD2 3.51Å; P36-F38 HydrophobicContact CB-CE2 4.09Å; P36-F38 HydrophobicContact CB-CG 4.3Å; P36-F38 PolarHBondContact O-N 3.43Å; F38-G49 PolarHBondContact O-N 2.72Å; F38-A52 HydrophobicContact CB-CB 3.62Å; F38-A52 WeakPolarHBondContact O-CB 3.42Å; F38-K53 HydrophobicContact CD1-CB 4.25Å; F38-K53 HydrophobicContact CD2-CB 4.42Å; F38-K53 HydrophobicContact CE1-CG 4.35Å; F38-K53 HydrophobicContact CE2-CD 4.49Å; F38-K53 HydrophobicContact CE2-CG 4.45Å; F38-K53 HydrophobicContact CG-CB 4.2Å; F38-K53 HydrophobicContact CZ-CG 4.31Å; F38-V56 HydrophobicContact CD1-CG2 4.45Å; F38-V56 HydrophobicContact CE1-CB 4.23Å; F38-V56 HydrophobicContact CE1-CG2 3.96Å; F38-T63 HydrophobicContact CD1-CG2 3.99Å; F38-V64 WeakPolarHBondContact CA-O 3.23Å; F38-Q65 HydrophobicContact CD1-CB 4.06Å; F38-Q65 HydrophobicContact CE1-CB 3.84Å; F38-Q65 HydrophobicContact CE1-CG 4.29Å; F38-Q65 HydrophobicContact CE2-CB 4.33Å; F38-Q65 HydrophobicContact CG-CB 4.39Å; F38-Q65 HydrophobicContact CZ-CB 3.98Å |
| 39 | V | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 127.5 | 170.3 | -175.4 | 0 | 0 | 0 | 0 | 108 | F41 I48 T63 V64 I117 M120 | V39-F41 HydrophobicContact CB-CE2 4.37Å; V39-F41 HydrophobicContact CG1-CD2 4.35Å; V39-F41 HydrophobicContact CG1-CE1 4.38Å; V39-F41 HydrophobicContact CG1-CE2 3.61Å; V39-F41 HydrophobicContact CG1-CZ 3.63Å; V39-I48 HydrophobicContact CG2-CG2 4.31Å; V39-T63 CarbonylContact O-C 3.48Å; V39-V64 PolarHBondContact N-O 3.16Å; V39-V64 VanDerWaalsContact N-O 3.1Å; V39-V64 PolarHBondContact O-N 3.2Å; V39-I117 HydrophobicContact CB-CG2 4.4Å; V39-I117 HydrophobicContact CG2-CG2 3.96Å; V39-M120 HydrophobicContact CG1-CB 4.4Å; V39-M120 HydrophobicContact CG1-SD 3.89Å; V39-M120 HydrophobicContact CG2-CB 4.31Å |
| 40 | S | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 132.6 | 178.5 | -164 | 0 | 0 | 0 | 0 | 110.5 | R46 S47 Q55 N59 N62 T63 | S40-R46 CarbonylContact O-C 3.56Å; S40-R46 VanDerWaalsContact O-CA 3.26Å; S40-R46 WeakPolarHBondContact O-CA 3.31Å; S40-R46 WeakPolarHBondContact O-CB 3.5Å; S40-S47 PolarHBondContact N-O 2.93Å; S40-S47 PolarHBondContact O-N 2.99Å; S40-Q55 PolarHBondContact OG-OE1 2.99Å; S40-N59 PolarHBondContact OG-ND2 2.89Å; S40-N62 WeakPolarHBondContact CA-O 3.37Å; S40-T63 PolarHBondContact OG-OG1 3.05Å |
| 41 | F | 98.3 | Very high | 96.8 | Very high | 1 Ų | 1 | 32.2 Ų | 32.2 | 0% | 0.004 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 126.3 | -178 | -62.8 | -91.9 | 0 | 0 | 0 | 110.7 | V39 R46 N59 N62 V64 V103 L104 Y105 F112 I117 M120 | V39-F41 HydrophobicContact CB-CE2 4.37Å; V39-F41 HydrophobicContact CG1-CD2 4.35Å; V39-F41 HydrophobicContact CG1-CE1 4.38Å; V39-F41 HydrophobicContact CG1-CE2 3.61Å; V39-F41 HydrophobicContact CG1-CZ 3.63Å; F41-R46 HydrophobicContact CD1-CB 4.24Å; F41-N59 PolarHBondContact O-ND2 2.84Å; F41-N62 HydrophobicContact CB-CB 4.29Å; F41-N62 PolarHBondContact N-O 3.26Å; F41-N62 WeakPolarHBondContact O-CB 3.41Å; F41-V64 HydrophobicContact CD2-CG2 4.32Å; F41-V64 HydrophobicContact CE2-CG2 3.96Å; F41-V103 HydrophobicContact CB-CB 4.39Å; F41-V103 HydrophobicContact CB-CG2 4.26Å; F41-V103 HydrophobicContact CD1-CG2 4.24Å; F41-V103 HydrophobicContact CD2-CB 3.99Å; F41-V103 HydrophobicContact CD2-CG1 3.85Å; F41-V103 HydrophobicContact CD2-CG2 3.7Å; F41-V103 HydrophobicContact CE2-CG1 4.23Å; F41-V103 HydrophobicContact CE2-CG2 4.06Å; F41-V103 HydrophobicContact CG-CB 4.28Å; F41-V103 HydrophobicContact CG-CG2 3.8Å; F41-V103 HydrophobicContact CZ-CG2 4.46Å; F41-L104 WeakPolarHBondContact CB-O 3.35Å; F41-Y105 HydrophobicContact CB-CD2 4.12Å; F41-Y105 HydrophobicContact CB-CG 4.46Å; F41-Y105 AromaticContact CD1-CD2 3.72Å; F41-Y105 HydrophobicContact CD1-CD2 3.72Å; F41-Y105 HydrophobicContact CD1-CE2 4.39Å; F41-Y105 AromaticContact CD1-CG 3.81Å; F41-Y105 HydrophobicContact CD1-CG 3.81Å; F41-Y105 HydrophobicContact CG-CD2 4.43Å; F41-F112 AromaticContact CD1-CE2 3.93Å; F41-F112 HydrophobicContact CD1-CE2 3.93Å; F41-F112 HydrophobicContact CD1-CZ 4.44Å; F41-F112 AromaticContact CE1-CD2 3.95Å; F41-F112 HydrophobicContact CE1-CD2 3.95Å; F41-F112 AromaticContact CE1-CE2 3.41Å; F41-F112 HydrophobicContact CE1-CE2 3.41Å; F41-F112 VanDerWaalsContact CE1-CE2 3.41Å; F41-F112 AromaticContact CE1-CZ 3.85Å; F41-F112 HydrophobicContact CE1-CZ 3.85Å; F41-F112 AromaticContact CZ-CD2 3.86Å; F41-F112 HydrophobicContact CZ-CD2 3.86Å; F41-F112 AromaticContact CZ-CE2 3.83Å; F41-F112 HydrophobicContact CZ-CE2 3.83Å; F41-I117 HydrophobicContact CE2-CD1 3.8Å; F41-I117 HydrophobicContact CZ-CD1 3.54Å; F41-M120 HydrophobicContact CE1-CE 3.86Å; F41-M120 HydrophobicContact CE1-SD 3.69Å; F41-M120 HydrophobicContact CZ-CE 3.79Å; F41-M120 HydrophobicContact CZ-SD 3.55Å; F41-M120 VanDerWaalsContact CZ-SD 3.55Å |
| 42 | G | 95.8 | Very high | 96.8 | Very high | 14 Ų | 14 | 27.3 Ų | 27.3 | 14% | 0.144 | 15% | 0.146 | C | C | . | . | trans | -113.9 | -176.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | R44 N45 M106 | G42-R44 PolarHBondContact O-N 2.9Å; G42-N45 WeakPolarHBondContact CA-O 3.47Å; G42-N45 PolarHBondContact N-O 2.95Å; G42-M106 PolarHBondContact O-N 2.98Å | ||
| 43 | P | 94.9 | Very high | 96.8 | Very high | 81 Ų | 81 | 26.2 Ų | 26.2 | 53% | 0.526 | 14% | 0.137 | S | C | . | . | S | Bend | trans | -74.1 | -7.9 | 179.8 | 30.6 | -35.8 | 0 | 0 | 0 | 114 | M106 E107 | P43-M106 WeakPolarHBondContact O-CA 3.4Å; P43-E107 HydrophobicContact CB-CG 4.02Å |
| 44 | R | 92.7 | Very high | 96.8 | Very high | 82 Ų | 82 | 24.6 Ų | 24.6 | 31% | 0.309 | 15% | 0.145 | S | C | . | . | S | Bend | trans | -133.7 | -42.7 | -173.5 | -66.2 | -178.3 | 174.2 | -126.4 | -14.3 | 114.1 | G42 Q606 E610 D664 | G42-R44 PolarHBondContact O-N 2.9Å; R44-Q606 VanDerWaalsContact O-CG 3.25Å; R44-Q606 WeakPolarHBondContact O-CG 3.36Å; R44-Q606 PolarHBondContact O-NE2 2.93Å; R44-E610 HydrophobicContact CB-CG 4.05Å; R44-E610 IonicContact NH1-OE2 2.7Å; R44-D664 IonicContact CZ-OD1 2.8Å; R44-D664 IonicContact CZ-OD2 2.67Å; R44-D664 IonicContact NH1-OD1 3.58Å; R44-D664 PolarHBondContact NH1-OD1 2.94Å; R44-D664 IonicContact NH1-OD2 3.79Å; R44-D664 IonicContact NH2-OD1 3.98Å; R44-D664 PolarHBondContact NH2-OD1 3.15Å; R44-D664 IonicContact NH2-OD2 2.81Å; R44-D664 PolarHBondContact NH2-OD2 2.79Å |
| 45 | N | 95.8 | Very high | 96.7 | Very high | 48 Ų | 48 | 25.8 Ų | 25.8 | 26% | 0.257 | 15% | 0.147 | S | C | . | . | trans | -142.5 | 172.6 | -175.8 | 69.2 | -61.2 | 0 | 0 | 0 | 108.9 | G42 D607 E610 | G42-N45 WeakPolarHBondContact CA-O 3.47Å; G42-N45 PolarHBondContact N-O 2.95Å; N45-D607 WeakPolarHBondContact CB-OD1 3.4Å; N45-E610 HydrophobicContact CB-CB 4.12Å; N45-E610 HydrophobicContact CB-CG 4.09Å | ||
| 46 | R | 97.3 | Very high | 96.5 | Very high | 8 Ų | 8 | 25.9 Ų | 25.9 | 3% | 0.03 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 152.5 | 164.5 | 50.1 | 175.1 | -173.3 | 178.6 | 8.7 | 109.5 | S40 F41 Y105 M120 E600 D607 | S40-R46 CarbonylContact O-C 3.56Å; S40-R46 VanDerWaalsContact O-CA 3.26Å; S40-R46 WeakPolarHBondContact O-CA 3.31Å; S40-R46 WeakPolarHBondContact O-CB 3.5Å; F41-R46 HydrophobicContact CD1-CB 4.24Å; R46-Y105 HydrophobicContact CB-CE2 4.43Å; R46-M120 PolarHBondContact NH1-SD 2.83Å; R46-E600 IonicContact CZ-OE1 2.68Å; R46-E600 IonicContact CZ-OE2 2.68Å; R46-E600 VanDerWaalsContact NH1-CD 3.31Å; R46-E600 IonicContact NH1-OE1 3.7Å; R46-E600 PolarHBondContact NH1-OE1 2.82Å; R46-E600 IonicContact NH1-OE2 2.74Å; R46-E600 PolarHBondContact NH1-OE2 3.48Å; R46-E600 IonicContact NH2-OE1 3.54Å; R46-E600 PolarHBondContact NH2-OE1 3.19Å; R46-E600 IonicContact NH2-OE2 3.01Å; R46-D607 WeakPolarHBondContact CG-OD1 3.38Å; R46-D607 VanDerWaalsContact CG-OD2 3.25Å; R46-D607 WeakPolarHBondContact CG-OD2 3.07Å; R46-D607 IonicContact CZ-OD2 3.72Å; R46-D607 PolarHBondContact N-OD1 2.92Å; R46-D607 IonicContact NE-OD2 2.8Å; R46-D607 PolarHBondContact NE-OD2 3.44Å; R46-D607 IonicContact NH2-OD2 2.75Å; R46-D607 PolarHBondContact NH2-OD2 2.95Å |
| 47 | S | 97.6 | Very high | 96.3 | Very high | 17 Ų | 17 | 26.9 Ų | 26.9 | 12% | 0.119 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 144 | 167.9 | -62.6 | 0 | 0 | 0 | 0 | 108.3 | S40 A52 Q55 | S40-S47 PolarHBondContact N-O 2.93Å; S40-S47 PolarHBondContact O-N 2.99Å; S47-A52 WeakPolarHBondContact O-CB 3.47Å; S47-Q55 PolarHBondContact OG-NE2 2.75Å; S47-Q55 PolarHBondContact OG-OE1 2.97Å |
| 48 | I | 98.3 | Very high | 96.1 | Very high | 16 Ų | 16 | 31.5 Ų | 31.5 | 8% | 0.082 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 141.6 | -175.2 | -45.7 | 174.9 | 0 | 0 | 0 | 109 | V39 M120 L121 K124 | V39-I48 HydrophobicContact CG2-CG2 4.31Å; I48-M120 HydrophobicContact CD1-CB 3.99Å; I48-M120 WeakPolarHBondContact CD1-O 3.34Å; I48-L121 HydrophobicContact CG2-CD1 4.22Å; I48-K124 HydrophobicContact CB-CB 4Å; I48-K124 HydrophobicContact CB-CG 4.04Å; I48-K124 HydrophobicContact CD1-CB 4.46Å; I48-K124 HydrophobicContact CG2-CB 3.5Å; I48-K124 HydrophobicContact CG2-CG 3.82Å |
| 49 | G | 97.7 | Very high | 96 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.6 | -133.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | P36 F38 A51 A52 K53 | P36-G49 WeakPolarHBondContact O-CA 3.4Å; F38-G49 PolarHBondContact O-N 2.72Å; G49-A51 VanDerWaalsContact C-N 3.33Å; G49-A51 PolarHBondContact O-N 2.84Å; G49-A52 WeakPolarHBondContact O-CB 3.5Å; G49-A52 PolarHBondContact O-N 2.73Å; G49-A52 VanDerWaalsContact O-N 3.13Å; G49-K53 PolarHBondContact O-N 2.84Å |
| 50 | A | 97.1 | Very high | 95.8 | Very high | 18 Ų | 18 | 33.3 Ų | 33.3 | 15% | 0.149 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.6 | -37.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y30 A52 K53 S54 | Y30-A50 HydrophobicContact CD2-CB 3.49Å; Y30-A50 VanDerWaalsContact CD2-CB 3.49Å; Y30-A50 HydrophobicContact CE2-CB 3.66Å; Y30-A50 HydrophobicContact CG-CB 4.15Å; A50-A52 VanDerWaalsContact C-N 3.29Å; A50-A52 PolarHBondContact O-N 2.74Å; A50-K53 PolarHBondContact O-N 2.81Å; A50-K53 VanDerWaalsContact O-N 3.12Å; A50-S54 PolarHBondContact O-N 2.9Å |
| 51 | A | 96 | Very high | 95.6 | Very high | 18 Ų | 18 | 39.9 Ų | 39.9 | 15% | 0.149 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.1 | -32.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | G49 S54 Q55 | G49-A51 VanDerWaalsContact C-N 3.33Å; G49-A51 PolarHBondContact O-N 2.84Å; A51-S54 PolarHBondContact O-OG 2.84Å; A51-S54 VanDerWaalsContact O-OG 3.06Å; A51-Q55 VanDerWaalsContact O-CD 3.3Å; A51-Q55 WeakPolarHBondContact O-CG 3.44Å; A51-Q55 PolarHBondContact O-NE2 3.39Å |
| 52 | A | 97.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -74.8 | -37.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | F38 S47 G49 A50 Q55 V56 T63 | F38-A52 HydrophobicContact CB-CB 3.62Å; F38-A52 WeakPolarHBondContact O-CB 3.42Å; S47-A52 WeakPolarHBondContact O-CB 3.47Å; G49-A52 WeakPolarHBondContact O-CB 3.5Å; G49-A52 PolarHBondContact O-N 2.73Å; G49-A52 VanDerWaalsContact O-N 3.13Å; A50-A52 VanDerWaalsContact C-N 3.29Å; A50-A52 PolarHBondContact O-N 2.74Å; A52-Q55 PolarHBondContact O-N 2.83Å; A52-V56 PolarHBondContact O-N 2.79Å; A52-T63 WeakPolarHBondContact O-CG2 3.34Å |
| 53 | K | 96.1 | Very high | 95.5 | Very high | 70 Ų | 70 | 40.6 Ų | 40.6 | 30% | 0.304 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -65.4 | -38.1 | 179.2 | -174.7 | 176.9 | 178.4 | 177.3 | 0 | 112.5 | P36 F38 G49 A50 Q55 V56 | P36-K53 HydrophobicContact CB-CB 4.05Å; P36-K53 HydrophobicContact CB-CD 3.88Å; P36-K53 HydrophobicContact CB-CG 4.49Å; P36-K53 HydrophobicContact CG-CB 4.1Å; P36-K53 HydrophobicContact CG-CD 3.6Å; P36-K53 HydrophobicContact CG-CG 4.47Å; F38-K53 HydrophobicContact CD1-CB 4.25Å; F38-K53 HydrophobicContact CD2-CB 4.42Å; F38-K53 HydrophobicContact CE1-CG 4.35Å; F38-K53 HydrophobicContact CE2-CD 4.49Å; F38-K53 HydrophobicContact CE2-CG 4.45Å; F38-K53 HydrophobicContact CG-CB 4.2Å; F38-K53 HydrophobicContact CZ-CG 4.31Å; G49-K53 PolarHBondContact O-N 2.84Å; A50-K53 PolarHBondContact O-N 2.81Å; A50-K53 VanDerWaalsContact O-N 3.12Å; K53-Q55 VanDerWaalsContact C-N 3.28Å; K53-Q55 PolarHBondContact O-N 3.08Å; K53-V56 WeakPolarHBondContact O-CG1 3.37Å; K53-V56 PolarHBondContact O-N 3.02Å |
| 54 | S | 95 | Very high | 95.6 | Very high | 88 Ų | 88 | 36.7 Ų | 36.7 | 62% | 0.615 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -65.1 | -32.7 | 175.7 | 59.2 | 0 | 0 | 0 | 0 | 112.5 | A50 A51 V56 | A50-S54 PolarHBondContact O-N 2.9Å; A51-S54 PolarHBondContact O-OG 2.84Å; A51-S54 VanDerWaalsContact O-OG 3.06Å; S54-V56 PolarHBondContact O-N 2.92Å |
| 55 | Q | 94.3 | Very high | 95.6 | Very high | 56 Ų | 56 | 36.2 Ų | 36.2 | 26% | 0.262 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -80.3 | -8.2 | 179.6 | -65.6 | 168.9 | 17.5 | 0 | 0 | 114.3 | S40 S47 A51 A52 K53 V57 T58 N59 | S40-Q55 PolarHBondContact OG-OE1 2.99Å; S47-Q55 PolarHBondContact OG-NE2 2.75Å; S47-Q55 PolarHBondContact OG-OE1 2.97Å; A51-Q55 VanDerWaalsContact O-CD 3.3Å; A51-Q55 WeakPolarHBondContact O-CG 3.44Å; A51-Q55 PolarHBondContact O-NE2 3.39Å; A52-Q55 PolarHBondContact O-N 2.83Å; K53-Q55 VanDerWaalsContact C-N 3.28Å; K53-Q55 PolarHBondContact O-N 3.08Å; Q55-V57 PolarHBondContact O-N 2.96Å; Q55-V57 VanDerWaalsContact O-N 3.09Å; Q55-T58 PolarHBondContact O-N 2.84Å; Q55-T58 VanDerWaalsContact O-N 3.1Å; Q55-T58 PolarHBondContact O-OG1 2.84Å; Q55-T58 VanDerWaalsContact O-OG1 3.08Å; Q55-N59 HydrophobicContact CB-CB 4.38Å; Q55-N59 PolarHBondContact O-N 2.86Å |
| 56 | V | 94.3 | Very high | 95.5 | Very high | 4 Ų | 4 | 35 Ų | 35 | 2% | 0.024 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -25.4 | -171.7 | 76 | 0 | 0 | 0 | 0 | 114.5 | F38 A52 K53 S54 C60 T63 V264 Q268 | F38-V56 HydrophobicContact CD1-CG2 4.45Å; F38-V56 HydrophobicContact CE1-CB 4.23Å; F38-V56 HydrophobicContact CE1-CG2 3.96Å; A52-V56 PolarHBondContact O-N 2.79Å; K53-V56 WeakPolarHBondContact O-CG1 3.37Å; K53-V56 PolarHBondContact O-N 3.02Å; S54-V56 PolarHBondContact O-N 2.92Å; V56-C60 WeakPolarHBondContact O-CA 3.25Å; V56-C60 WeakPolarHBondContact O-CB 3.37Å; V56-T63 HydrophobicContact CB-CG2 3.87Å; V56-T63 HydrophobicContact CG2-CG2 3.77Å; V56-V264 HydrophobicContact CB-CG1 4.46Å; V56-V264 HydrophobicContact CG1-CG1 3.86Å; V56-V264 HydrophobicContact CG2-CG1 3.96Å; V56-Q268 VanDerWaalsContact CG1-NE2 3.27Å |
| 57 | V | 92.9 | Very high | 95.3 | Very high | 30 Ų | 30 | 34.7 Ų | 34.7 | 18% | 0.182 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -25.9 | 179 | 177.5 | 0 | 0 | 0 | 0 | 112.5 | Q55 R261 V264 R265 | Q55-V57 PolarHBondContact O-N 2.96Å; Q55-V57 VanDerWaalsContact O-N 3.09Å; V57-R261 WeakPolarHBondContact O-CG 3.49Å; V57-R261 PolarHBondContact O-NE 3.26Å; V57-V264 HydrophobicContact CG2-CG1 3.98Å; V57-R265 HydrophobicContact CG1-CG 3.7Å; V57-R265 HydrophobicContact CG2-CG 3.98Å |
| 58 | T | 93.8 | Very high | 95.1 | Very high | 98 Ų | 98 | 34 Ų | 34 | 60% | 0.601 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.4 | -49.7 | 178.9 | 47 | 0 | 0 | 0 | 0 | 111.3 | Q55 | Q55-T58 PolarHBondContact O-N 2.84Å; Q55-T58 VanDerWaalsContact O-N 3.1Å; Q55-T58 PolarHBondContact O-OG1 2.84Å; Q55-T58 VanDerWaalsContact O-OG1 3.08Å |
| 59 | N | 95.4 | Very high | 94.8 | Very high | 37 Ų | 37 | 36.2 Ų | 36.2 | 20% | 0.198 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -101.1 | 40 | -178.1 | -165.8 | 22.3 | 0 | 0 | 0 | 112.5 | S40 F41 Q55 K61 N62 T63 | S40-N59 PolarHBondContact OG-ND2 2.89Å; F41-N59 PolarHBondContact O-ND2 2.84Å; Q55-N59 HydrophobicContact CB-CB 4.38Å; Q55-N59 PolarHBondContact O-N 2.86Å; N59-K61 VanDerWaalsContact C-N 3.33Å; N59-K61 PolarHBondContact O-N 2.9Å; N59-N62 PolarHBondContact O-N 3.12Å; N59-N62 VanDerWaalsContact O-N 3.12Å; N59-N62 WeakPolarHBondContact OD1-CB 3.34Å; N59-N62 PolarHBondContact OD1-ND2 3.29Å; N59-T63 WeakPolarHBondContact O-CB 3.5Å; N59-T63 PolarHBondContact O-N 3.15Å; N59-T63 VanDerWaalsContact O-N 3.12Å; N59-T63 PolarHBondContact O-OG1 3.03Å |
| 60 | C | 92.9 | Very high | 94.7 | Very high | 14 Ų | 14 | 36.3 Ų | 36.3 | 10% | 0.095 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | -58.5 | -37.1 | -164.9 | 64.7 | 0 | 0 | 0 | 0 | 114.8 | V56 T63 V88 | V56-C60 WeakPolarHBondContact O-CA 3.25Å; V56-C60 WeakPolarHBondContact O-CB 3.37Å; C60-T63 PolarHBondContact O-N 2.88Å; C60-V88 HydrophobicContact CB-CG1 3.82Å |
| 61 | K | 93.9 | Very high | 94.6 | Very high | 137 Ų | 137 | 35.5 Ų | 35.5 | 60% | 0.596 | 19% | 0.191 | S | C | * | . | G | 310 helix | trans | -69.5 | -29.8 | 179.7 | -70.1 | -168.8 | 173.8 | -167.6 | 0 | 114.1 | N59 Y89 | N59-K61 VanDerWaalsContact C-N 3.33Å; N59-K61 PolarHBondContact O-N 2.9Å; K61-Y89 WeakPolarHBondContact O-CA 3.45Å; K61-Y89 WeakPolarHBondContact O-CB 3.36Å |
| 62 | N | 96.8 | Very high | 94.5 | Very high | 28 Ų | 28 | 34.8 Ų | 34.8 | 15% | 0.15 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -104.8 | 10.4 | -178.7 | -47.7 | -55.7 | 0 | 0 | 0 | 111.9 | S40 F41 N59 V103 L104 | S40-N62 WeakPolarHBondContact CA-O 3.37Å; F41-N62 HydrophobicContact CB-CB 4.29Å; F41-N62 PolarHBondContact N-O 3.26Å; F41-N62 WeakPolarHBondContact O-CB 3.41Å; N59-N62 PolarHBondContact O-N 3.12Å; N59-N62 VanDerWaalsContact O-N 3.12Å; N59-N62 WeakPolarHBondContact OD1-CB 3.34Å; N59-N62 PolarHBondContact OD1-ND2 3.29Å; N62-V103 HydrophobicContact CB-CB 4.48Å; N62-L104 WeakPolarHBondContact OD1-CB 3.45Å; N62-L104 PolarHBondContact OD1-N 3.1Å |
| 63 | T | 96.8 | Very high | 94.4 | Very high | 2 Ų | 2 | 35.6 Ų | 35.6 | 1% | 0.012 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 105.7 | 177.4 | -54.1 | 0 | 0 | 0 | 0 | 110.3 | F38 V39 S40 A52 V56 N59 C60 | F38-T63 HydrophobicContact CD1-CG2 3.99Å; V39-T63 CarbonylContact O-C 3.48Å; S40-T63 PolarHBondContact OG-OG1 3.05Å; A52-T63 WeakPolarHBondContact O-CG2 3.34Å; V56-T63 HydrophobicContact CB-CG2 3.87Å; V56-T63 HydrophobicContact CG2-CG2 3.77Å; N59-T63 WeakPolarHBondContact O-CB 3.5Å; N59-T63 PolarHBondContact O-N 3.15Å; N59-T63 VanDerWaalsContact O-N 3.12Å; N59-T63 PolarHBondContact O-OG1 3.03Å; C60-T63 PolarHBondContact O-N 2.88Å |
| 64 | V | 96 | Very high | 94.3 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 128.7 | -173 | -165.7 | 0 | 0 | 0 | 0 | 110.1 | F38 V39 F41 F67 Y89 I101 V103 I117 | F38-V64 WeakPolarHBondContact CA-O 3.23Å; V39-V64 PolarHBondContact N-O 3.16Å; V39-V64 VanDerWaalsContact N-O 3.1Å; V39-V64 PolarHBondContact O-N 3.2Å; F41-V64 HydrophobicContact CD2-CG2 4.32Å; F41-V64 HydrophobicContact CE2-CG2 3.96Å; V64-F67 HydrophobicContact CB-CD1 4.49Å; V64-F67 HydrophobicContact CG1-CB 3.99Å; V64-F67 HydrophobicContact CG1-CD1 3.78Å; V64-F67 HydrophobicContact CG1-CG 4.2Å; V64-Y89 HydrophobicContact CB-CD1 4.5Å; V64-Y89 HydrophobicContact CB-CE1 4.47Å; V64-Y89 HydrophobicContact CG1-CD1 4.3Å; V64-Y89 HydrophobicContact CG1-CD2 4.27Å; V64-Y89 HydrophobicContact CG1-CE1 3.93Å; V64-Y89 HydrophobicContact CG1-CE2 3.88Å; V64-Y89 HydrophobicContact CG1-CG 4.46Å; V64-I101 HydrophobicContact CG1-CD1 4.09Å; V64-I101 HydrophobicContact CG1-CG2 3.85Å; V64-I101 HydrophobicContact CG2-CG2 3.75Å; V64-V103 HydrophobicContact CG2-CG1 3.89Å; V64-I117 HydrophobicContact CG1-CG2 4.33Å |
| 65 | Q | 93.7 | Very high | 94.3 | Very high | 71 Ų | 71 | 29.8 Ų | 29.8 | 33% | 0.332 | 15% | 0.154 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 154.2 | 177 | 56.6 | 167.6 | -14.1 | 0 | 0 | 110.4 | F38 F67 Y89 | F38-Q65 HydrophobicContact CD1-CB 4.06Å; F38-Q65 HydrophobicContact CE1-CB 3.84Å; F38-Q65 HydrophobicContact CE1-CG 4.29Å; F38-Q65 HydrophobicContact CE2-CB 4.33Å; F38-Q65 HydrophobicContact CG-CB 4.39Å; F38-Q65 HydrophobicContact CZ-CB 3.98Å; Q65-F67 PolarHBondContact O-N 3.3Å; Q65-F67 VanDerWaalsContact O-N 3.11Å; Q65-Y89 WeakPolarHBondContact O-CE1 3.25Å; Q65-Y89 PolarHBondContact O-OH 2.8Å |
| 66 | G | 91.8 | Very high | 94.4 | Very high | 23 Ų | 23 | 31.2 Ų | 31.2 | 24% | 0.237 | 17% | 0.17 | C | C | . | . | S | Bend | trans | 69.7 | 2.4 | 177 | 0 | 0 | 0 | 0 | 0 | 116 | K68 R69 | G66-K68 PolarHBondContact O-N 2.8Å; G66-K68 VanDerWaalsContact O-N 3.12Å; G66-R69 PolarHBondContact O-N 2.88Å |
| 67 | F | 94.4 | Very high | 94.4 | Very high | 2 Ų | 2 | 31.2 Ų | 31.2 | 1% | 0.009 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | -57.3 | -25.3 | -177.1 | 54.8 | -91.4 | 0 | 0 | 0 | 114.4 | S37 V64 Q65 R69 F70 I101 V114 I117 T118 L121 | S37-F67 WeakPolarHBondContact O-CE1 3.4Å; V64-F67 HydrophobicContact CB-CD1 4.49Å; V64-F67 HydrophobicContact CG1-CB 3.99Å; V64-F67 HydrophobicContact CG1-CD1 3.78Å; V64-F67 HydrophobicContact CG1-CG 4.2Å; Q65-F67 PolarHBondContact O-N 3.3Å; Q65-F67 VanDerWaalsContact O-N 3.11Å; F67-R69 PolarHBondContact O-N 2.92Å; F67-F70 WeakPolarHBondContact O-CB 3.49Å; F67-F70 WeakPolarHBondContact O-CD2 3.43Å; F67-F70 PolarHBondContact O-N 2.91Å; F67-I101 HydrophobicContact CB-CD1 3.67Å; F67-V114 HydrophobicContact CD2-CG1 4.46Å; F67-I117 HydrophobicContact CD1-CG2 3.79Å; F67-I117 HydrophobicContact CD2-CB 4.24Å; F67-I117 HydrophobicContact CD2-CG2 3.63Å; F67-I117 HydrophobicContact CE1-CG2 3.8Å; F67-I117 HydrophobicContact CE2-CB 4.42Å; F67-I117 HydrophobicContact CE2-CG2 3.66Å; F67-I117 HydrophobicContact CG-CG2 3.7Å; F67-I117 HydrophobicContact CZ-CG2 3.73Å; F67-T118 WeakPolarHBondContact CE2-OG1 3.17Å; F67-L121 HydrophobicContact CZ-CD2 3.86Å |
| 68 | K | 93.3 | Very high | 94.4 | Very high | 2 Ų | 2 | 34.1 Ų | 34.1 | 1% | 0.009 | 19% | 0.19 | C | C | . | . | G | 310 helix | trans | -50.2 | -26.5 | 177 | -79.9 | -155.2 | 76.5 | -158.7 | 0 | 114.4 | L8 F10 G66 F70 H71 Y148 | L8-K68 HydrophobicContact CG-CD 4.16Å; L8-K68 WeakPolarHBondContact O-CD 3.22Å; L8-K68 VanDerWaalsContact O-CE 3.27Å; L8-K68 WeakPolarHBondContact O-CE 3.37Å; L8-K68 PolarHBondContact O-NZ 3.36Å; F10-K68 HydrophobicContact CD1-CB 3.68Å; F10-K68 HydrophobicContact CE1-CB 3.67Å; G66-K68 PolarHBondContact O-N 2.8Å; G66-K68 VanDerWaalsContact O-N 3.12Å; K68-F70 PolarHBondContact O-N 3.42Å; K68-H71 PolarHBondContact O-CD2 2.83Å; K68-H71 VanDerWaalsContact O-CD2 3.31Å; K68-Y148 WeakPolarHBondContact CE-OH 3.44Å; K68-Y148 PolarHBondContact O-OH 3.39Å |
| 69 | R | 91.4 | Very high | 94.2 | Very high | 63 Ų | 63 | 31.3 Ų | 31.3 | 24% | 0.238 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | -76 | 0.3 | 179.4 | 84.5 | -164.9 | -44.1 | -164 | 5.6 | 114.2 | F10 G66 F67 R73 D230 | F10-R69 HydrophobicContact CE1-CB 3.96Å; G66-R69 PolarHBondContact O-N 2.88Å; F67-R69 PolarHBondContact O-N 2.92Å; R69-R73 WeakPolarHBondContact O-CD 3.3Å; R69-D230 IonicContact NH2-OD1 3.28Å |
| 70 | F | 95.3 | Very high | 94.2 | Very high | 2 Ų | 2 | 29.6 Ų | 29.6 | 1% | 0.009 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | -110.2 | 2.1 | 179 | -48 | -44 | 0 | 0 | 0 | 113.4 | F67 K68 G72 R73 V80 A83 L87 L91 T99 V114 | F67-F70 WeakPolarHBondContact O-CB 3.49Å; F67-F70 WeakPolarHBondContact O-CD2 3.43Å; F67-F70 PolarHBondContact O-N 2.91Å; K68-F70 PolarHBondContact O-N 3.42Å; F70-G72 PolarHBondContact O-N 3.49Å; F70-R73 PolarHBondContact O-N 2.79Å; F70-V80 HydrophobicContact CD1-CG2 3.81Å; F70-V80 HydrophobicContact CE1-CG2 4.47Å; F70-A83 HydrophobicContact CE1-CB 3.66Å; F70-A83 HydrophobicContact CZ-CB 3.69Å; F70-L87 HydrophobicContact CE2-CD1 4.05Å; F70-L87 HydrophobicContact CZ-CD1 3.97Å; F70-L91 HydrophobicContact CD2-CD2 4.42Å; F70-L91 HydrophobicContact CE2-CD1 4.19Å; F70-L91 HydrophobicContact CE2-CD2 4.24Å; F70-L91 HydrophobicContact CZ-CD1 4.16Å; F70-T99 HydrophobicContact CB-CG2 4.11Å; F70-T99 HydrophobicContact CG-CG2 4.37Å; F70-V114 HydrophobicContact CB-CG1 4.46Å; F70-V114 HydrophobicContact CB-CG2 3.73Å |
| 71 | H | 95.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.4 | 131.6 | 176 | -90.9 | -63.6 | 0 | 0 | 0 | 111.1 | K68 R73 T118 E152 S155 | K68-H71 PolarHBondContact O-CD2 2.83Å; K68-H71 VanDerWaalsContact O-CD2 3.31Å; H71-R73 PolarHBondContact O-N 2.67Å; H71-T118 PolarHBondContact CE1-OG1 3.23Å; H71-T118 PolarHBondContact NE2-OG1 2.9Å; H71-E152 HydrophobicContact CB-CG 4.37Å; H71-E152 WeakPolarHBondContact O-CG 3.36Å; H71-S155 PolarHBondContact ND1-OG 2.88Å |
| 72 | G | 93.8 | Very high | 94.2 | Very high | 3 Ų | 3 | 29.4 Ų | 29.4 | 3% | 0.031 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.3 | 20.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | F70 S155 Y454 | F70-G72 PolarHBondContact O-N 3.49Å; G72-S155 VanDerWaalsContact N-CB 3.33Å; G72-S155 PolarHBondContact N-OG 2.94Å; G72-S155 VanDerWaalsContact N-OG 3.08Å; G72-Y454 WeakPolarHBondContact O-CE2 3.34Å; G72-Y454 PolarHBondContact O-OH 2.8Å |
| 73 | R | 94.4 | Very high | 93.8 | Very high | 17 Ų | 17 | 28.7 Ų | 28.7 | 6% | 0.064 | 17% | 0.17 | C | C | . | . | trans | -110.6 | 137.6 | -176.9 | -73 | 172.1 | -175.2 | -97.3 | 3.6 | 112.9 | R69 F70 H71 D77 V80 T99 E152 N453 Y454 | R69-R73 WeakPolarHBondContact O-CD 3.3Å; F70-R73 PolarHBondContact O-N 2.79Å; H71-R73 PolarHBondContact O-N 2.67Å; R73-D77 HydrophobicContact CB-CB 4.38Å; R73-D77 WeakPolarHBondContact CD-OD2 3.44Å; R73-D77 WeakPolarHBondContact CG-OD2 3.46Å; R73-D77 IonicContact CZ-OD2 2.7Å; R73-D77 IonicContact NE-OD2 3.19Å; R73-D77 IonicContact NH1-OD1 2.77Å; R73-D77 IonicContact NH1-OD2 3.61Å; R73-D77 PolarHBondContact NH1-OD2 3.29Å; R73-V80 HydrophobicContact CB-CG2 4.03Å; R73-T99 WeakPolarHBondContact O-CB 3.15Å; R73-T99 PolarHBondContact O-N 2.98Å; R73-T99 PolarHBondContact O-OG1 3.28Å; R73-E152 IonicContact CZ-OE1 3.15Å; R73-E152 VanDerWaalsContact CZ-OE1 3.28Å; R73-E152 IonicContact NE-OE1 2.75Å; R73-E152 PolarHBondContact NE-OE1 3.07Å; R73-E152 IonicContact NH2-OE1 3.64Å; R73-E152 PolarHBondContact NH2-OE1 3.38Å; R73-N453 PolarHBondContact NH1-O 2.78Å; R73-N453 VanDerWaalsContact NH1-O 3.1Å; R73-N453 PolarHBondContact NH2-O 2.93Å; R73-Y454 HydrophobicContact CG-CD2 4.2Å; R73-Y454 HydrophobicContact CG-CE2 3.67Å | ||
| 74 | A | 94.6 | Very high | 93.5 | Very high | 6 Ų | 6 | 32.5 Ų | 32.5 | 5% | 0.05 | 19% | 0.186 | C | C | . | . | B | Isolated β-bridge | trans | -59.3 | 145.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | S76 D77 T99 W586 | A74-S76 PolarHBondContact O-N 3.04Å; A74-S76 VanDerWaalsContact O-N 3.16Å; A74-D77 VanDerWaalsContact O-CB 3.23Å; A74-D77 WeakPolarHBondContact O-CB 3.32Å; A74-D77 PolarHBondContact O-N 2.84Å; A74-T99 PolarHBondContact O-OG1 3.31Å; A74-W586 HydrophobicContact CB-CH2 3.58Å; A74-W586 HydrophobicContact CB-CZ2 3.49Å; A74-W586 VanDerWaalsContact CB-CZ2 3.49Å; A74-W586 HydrophobicContact CB-CZ3 4.36Å |
| 75 | F | 95.9 | Very high | 92.9 | Very high | 30 Ų | 30 | 37.3 Ų | 37.3 | 13% | 0.132 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -31.6 | 171 | 179 | -106.1 | 0 | 0 | 0 | 111.7 | D77 V80 Q81 L91 A92 Q93 G97 T99 | F75-D77 VanDerWaalsContact C-N 3.28Å; F75-D77 PolarHBondContact O-N 2.82Å; F75-V80 HydrophobicContact CD2-CG1 4.38Å; F75-Q81 PolarHBondContact O-NE2 2.95Å; F75-L91 HydrophobicContact CE2-CB 3.98Å; F75-A92 VanDerWaalsContact CD2-C 3.46Å; F75-A92 WeakPolarHBondContact CD2-O 3.23Å; F75-Q93 HydrophobicContact CB-CB 3.93Å; F75-Q93 HydrophobicContact CB-CG 3.8Å; F75-Q93 HydrophobicContact CD1-CB 3.66Å; F75-Q93 HydrophobicContact CD1-CG 4.08Å; F75-Q93 HydrophobicContact CD2-CB 4.44Å; F75-Q93 HydrophobicContact CE1-CB 4.26Å; F75-Q93 HydrophobicContact CG-CB 3.75Å; F75-Q93 HydrophobicContact CG-CG 4.14Å; F75-G97 PolarHBondContact N-O 3.42Å; F75-T99 PolarHBondContact N-OG1 3.49Å |
| 76 | S | 95.3 | Very high | 92.4 | Very high | 87 Ų | 87 | 38.1 Ų | 38.1 | 61% | 0.608 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | 6.9 | 177.5 | 66.3 | 0 | 0 | 0 | 0 | 115.1 | A74 | A74-S76 PolarHBondContact O-N 3.04Å; A74-S76 VanDerWaalsContact O-N 3.16Å |
| 77 | D | 94.3 | Very high | 92.2 | Very high | 4 Ų | 4 | 39.2 Ų | 39.2 | 2% | 0.021 | 23% | 0.227 | C | C | . | . | trans | -64.8 | 129.7 | 173.5 | -177.5 | -30 | 0 | 0 | 0 | 109.5 | R73 A74 F75 I79 V80 Q81 P455 | R73-D77 HydrophobicContact CB-CB 4.38Å; R73-D77 WeakPolarHBondContact CD-OD2 3.44Å; R73-D77 WeakPolarHBondContact CG-OD2 3.46Å; R73-D77 IonicContact CZ-OD2 2.7Å; R73-D77 IonicContact NE-OD2 3.19Å; R73-D77 IonicContact NH1-OD1 2.77Å; R73-D77 IonicContact NH1-OD2 3.61Å; R73-D77 PolarHBondContact NH1-OD2 3.29Å; A74-D77 VanDerWaalsContact O-CB 3.23Å; A74-D77 WeakPolarHBondContact O-CB 3.32Å; A74-D77 PolarHBondContact O-N 2.84Å; F75-D77 VanDerWaalsContact C-N 3.28Å; F75-D77 PolarHBondContact O-N 2.82Å; D77-I79 PolarHBondContact O-N 2.74Å; D77-I79 VanDerWaalsContact O-N 3.12Å; D77-I79 WeakPolarHBondContact OD1-CB 3.42Å; D77-I79 PolarHBondContact OD1-N 2.85Å; D77-V80 HydrophobicContact CB-CB 4.17Å; D77-V80 HydrophobicContact CB-CG2 3.82Å; D77-V80 WeakPolarHBondContact O-CB 3.49Å; D77-V80 PolarHBondContact O-N 3.19Å; D77-Q81 PolarHBondContact O-N 3Å; D77-P455 HydrophobicContact CB-CG 4.23Å; D77-P455 VanDerWaalsContact OD2-CD 3.31Å; D77-P455 WeakPolarHBondContact OD2-CD 3.26Å | ||
| 78 | P | 92.8 | Very high | 92 | Very high | 91 Ų | 91 | 40.7 Ų | 40.7 | 59% | 0.591 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -50.9 | -33.1 | 176 | -29 | 36.3 | 0 | 0 | 0 | 114.7 | A82 | P78-A82 WeakPolarHBondContact O-CB 3.34Å; P78-A82 PolarHBondContact O-N 2.82Å |
| 79 | I | 90.6 | Very high | 92 | Very high | 39 Ų | 39 | 41 Ų | 41 | 20% | 0.2 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -70.8 | -38.6 | 177.6 | -70.3 | 162.4 | 0 | 0 | 0 | 111.2 | D77 A83 N453 | D77-I79 PolarHBondContact O-N 2.74Å; D77-I79 VanDerWaalsContact O-N 3.12Å; D77-I79 WeakPolarHBondContact OD1-CB 3.42Å; D77-I79 PolarHBondContact OD1-N 2.85Å; I79-A83 VanDerWaalsContact O-CB 3.31Å; I79-A83 WeakPolarHBondContact O-CB 3.49Å; I79-A83 PolarHBondContact O-N 2.91Å; I79-N453 WeakPolarHBondContact CD1-OD1 3.23Å |
| 80 | V | 94.3 | Very high | 92.1 | Very high | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.006 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66.8 | -44 | 175.5 | 176.5 | 0 | 0 | 0 | 0 | 110.2 | F70 R73 F75 D77 A83 K84 L91 T99 | F70-V80 HydrophobicContact CD1-CG2 3.81Å; F70-V80 HydrophobicContact CE1-CG2 4.47Å; R73-V80 HydrophobicContact CB-CG2 4.03Å; F75-V80 HydrophobicContact CD2-CG1 4.38Å; D77-V80 HydrophobicContact CB-CB 4.17Å; D77-V80 HydrophobicContact CB-CG2 3.82Å; D77-V80 WeakPolarHBondContact O-CB 3.49Å; D77-V80 PolarHBondContact O-N 3.19Å; V80-A83 PolarHBondContact O-N 2.75Å; V80-K84 PolarHBondContact O-N 2.7Å; V80-L91 HydrophobicContact CG1-CD1 3.92Å; V80-T99 HydrophobicContact CG1-CG2 3.74Å |
| 81 | Q | 95 | Very high | 92.2 | Very high | 84 Ų | 84 | 42 Ų | 42 | 39% | 0.393 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -66.9 | -42 | 177.3 | -66.5 | -61.1 | -48.6 | 0 | 0 | 112.5 | F75 D77 A83 K84 | F75-Q81 PolarHBondContact O-NE2 2.95Å; D77-Q81 PolarHBondContact O-N 3Å; Q81-A83 VanDerWaalsContact C-N 3.32Å; Q81-A83 PolarHBondContact O-N 2.91Å; Q81-K84 WeakPolarHBondContact O-CB 3.02Å; Q81-K84 PolarHBondContact O-N 2.86Å |
| 82 | A | 91.5 | Very high | 92.3 | Very high | 62 Ų | 62 | 43.1 Ų | 43.1 | 51% | 0.512 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -67.5 | -30.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | P78 S85 N86 | P78-A82 WeakPolarHBondContact O-CB 3.34Å; P78-A82 PolarHBondContact O-N 2.82Å; A82-S85 PolarHBondContact O-OG 3.08Å; A82-N86 PolarHBondContact O-ND2 3.17Å |
| 83 | A | 89.9 | Confident | 92.4 | Very high | 13 Ų | 13 | 48.4 Ų | 48.4 | 11% | 0.107 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -69 | -33.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | F70 I79 V80 Q81 S85 N86 L87 | F70-A83 HydrophobicContact CE1-CB 3.66Å; F70-A83 HydrophobicContact CZ-CB 3.69Å; I79-A83 VanDerWaalsContact O-CB 3.31Å; I79-A83 WeakPolarHBondContact O-CB 3.49Å; I79-A83 PolarHBondContact O-N 2.91Å; V80-A83 PolarHBondContact O-N 2.75Å; Q81-A83 VanDerWaalsContact C-N 3.32Å; Q81-A83 PolarHBondContact O-N 2.91Å; A83-S85 VanDerWaalsContact C-N 3.27Å; A83-S85 PolarHBondContact O-N 3.44Å; A83-S85 VanDerWaalsContact O-N 3.13Å; A83-N86 PolarHBondContact O-N 3.02Å; A83-L87 PolarHBondContact O-N 3.46Å |
| 84 | K | 89 | Confident | 92.4 | Very high | 83 Ų | 83 | 48.4 Ų | 48.4 | 36% | 0.361 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -55.8 | -34.3 | -170.7 | -173.9 | 167.4 | 178.8 | 160.9 | 0 | 114.5 | V80 Q81 N86 L91 | V80-K84 PolarHBondContact O-N 2.7Å; Q81-K84 WeakPolarHBondContact O-CB 3.02Å; Q81-K84 PolarHBondContact O-N 2.86Å; K84-N86 VanDerWaalsContact C-N 3.26Å; K84-N86 PolarHBondContact O-N 3.49Å; K84-L91 PolarHBondContact NZ-O 3.12Å |
| 85 | S | 83.8 | Confident | 92.2 | Very high | 101 Ų | 101 | 54.7 Ų | 54.7 | 71% | 0.706 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -12.2 | 177.6 | 54.9 | 0 | 0 | 0 | 0 | 114.6 | A82 A83 | A82-S85 PolarHBondContact O-OG 3.08Å; A83-S85 VanDerWaalsContact C-N 3.27Å; A83-S85 PolarHBondContact O-N 3.44Å; A83-S85 VanDerWaalsContact O-N 3.13Å |
| 86 | N | 82.6 | Confident | 91.9 | Very high | 87 Ų | 87 | 56.1 Ų | 56.1 | 47% | 0.465 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.8 | 5.1 | -177.4 | -63.6 | -71.1 | 0 | 0 | 0 | 113 | A82 A83 K84 | A82-N86 PolarHBondContact O-ND2 3.17Å; A83-N86 PolarHBondContact O-N 3.02Å; K84-N86 VanDerWaalsContact C-N 3.26Å; K84-N86 PolarHBondContact O-N 3.49Å |
| 87 | L | 89.3 | Confident | 91.8 | Very high | 47 Ų | 47 | 52.7 Ų | 52.7 | 25% | 0.246 | 31% | 0.313 | C | S | . | . | trans | -98.4 | 158.2 | 175.9 | -66.5 | 176.7 | 0 | 0 | 0 | 111.6 | F70 A83 Y89 L91 | F70-L87 HydrophobicContact CE2-CD1 4.05Å; F70-L87 HydrophobicContact CZ-CD1 3.97Å; A83-L87 PolarHBondContact O-N 3.46Å; L87-Y89 HydrophobicContact CD1-CE2 3.85Å; L87-Y89 HydrophobicContact CD2-CE1 3.9Å; L87-Y89 HydrophobicContact CD2-CE2 4.47Å; L87-L91 HydrophobicContact CD1-CD1 3.61Å; L87-L91 HydrophobicContact CD1-CD2 4.16Å; L87-L91 HydrophobicContact CD1-CG 3.74Å | ||
| 88 | V | 89.9 | Confident | 91.8 | Very high | 33 Ų | 33 | 53.1 Ų | 53.1 | 20% | 0.2 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -104.9 | -23.3 | 176.9 | 176 | 0 | 0 | 0 | 0 | 112.3 | C60 P260 V264 | C60-V88 HydrophobicContact CB-CG1 3.82Å; V88-P260 HydrophobicContact CB-CB 4.45Å; V88-P260 HydrophobicContact CG1-CB 3.58Å; V88-P260 HydrophobicContact CG2-CB 4.12Å; V88-V264 HydrophobicContact CG2-CG2 3.98Å |
| 89 | Y | 92.8 | Very high | 92 | Very high | 9 Ų | 9 | 48.9 Ų | 48.9 | 4% | 0.035 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -96.6 | 156.1 | 170 | 59.8 | -95.4 | 0 | 0 | 0 | 110.2 | K61 V64 Q65 L87 L91 I101 | K61-Y89 WeakPolarHBondContact O-CA 3.45Å; K61-Y89 WeakPolarHBondContact O-CB 3.36Å; V64-Y89 HydrophobicContact CB-CD1 4.5Å; V64-Y89 HydrophobicContact CB-CE1 4.47Å; V64-Y89 HydrophobicContact CG1-CD1 4.3Å; V64-Y89 HydrophobicContact CG1-CD2 4.27Å; V64-Y89 HydrophobicContact CG1-CE1 3.93Å; V64-Y89 HydrophobicContact CG1-CE2 3.88Å; V64-Y89 HydrophobicContact CG1-CG 4.46Å; Q65-Y89 WeakPolarHBondContact O-CE1 3.25Å; Q65-Y89 PolarHBondContact O-OH 2.8Å; L87-Y89 HydrophobicContact CD1-CE2 3.85Å; L87-Y89 HydrophobicContact CD2-CE1 3.9Å; L87-Y89 HydrophobicContact CD2-CE2 4.47Å; Y89-L91 HydrophobicContact CD2-CD2 4.39Å; Y89-L91 HydrophobicContact CE2-CD2 3.89Å; Y89-I101 HydrophobicContact CD2-CG2 3.87Å; Y89-I101 HydrophobicContact CE2-CG1 4.22Å; Y89-I101 HydrophobicContact CE2-CG2 4.11Å |
| 90 | D | 94.6 | Very high | 92.3 | Very high | 82 Ų | 82 | 47 Ų | 47 | 44% | 0.439 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 143.3 | -176.2 | -85 | -58.4 | 0 | 0 | 0 | 112.8 | K102 | D90-K102 HydrophobicContact CB-CB 3.92Å; D90-K102 HydrophobicContact CB-CD 4.16Å; D90-K102 HydrophobicContact CB-CG 4.1Å; D90-K102 PolarHBondContact O-N 3.05Å |
| 91 | L | 96.8 | Very high | 92.4 | Very high | 4 Ų | 4 | 47 Ų | 47 | 2% | 0.021 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 134.8 | 166.8 | -63.5 | -177.6 | 0 | 0 | 0 | 110.6 | F70 F75 V80 K84 L87 Y89 T99 G100 I101 | F70-L91 HydrophobicContact CD2-CD2 4.42Å; F70-L91 HydrophobicContact CE2-CD1 4.19Å; F70-L91 HydrophobicContact CE2-CD2 4.24Å; F70-L91 HydrophobicContact CZ-CD1 4.16Å; F75-L91 HydrophobicContact CE2-CB 3.98Å; V80-L91 HydrophobicContact CG1-CD1 3.92Å; K84-L91 PolarHBondContact NZ-O 3.12Å; L87-L91 HydrophobicContact CD1-CD1 3.61Å; L87-L91 HydrophobicContact CD1-CD2 4.16Å; L87-L91 HydrophobicContact CD1-CG 3.74Å; Y89-L91 HydrophobicContact CD2-CD2 4.39Å; Y89-L91 HydrophobicContact CE2-CD2 3.89Å; L91-T99 HydrophobicContact CD2-CG2 4.25Å; L91-G100 WeakPolarHBondContact CA-O 2.9Å; L91-I101 HydrophobicContact CD2-CG1 3.69Å |
| 92 | A | 96.6 | Very high | 92.6 | Very high | 22 Ų | 22 | 46 Ų | 46 | 18% | 0.182 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 165.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | F75 G100 K102 V111 | F75-A92 VanDerWaalsContact CD2-C 3.46Å; F75-A92 WeakPolarHBondContact CD2-O 3.23Å; A92-G100 PolarHBondContact N-O 3.26Å; A92-G100 WeakPolarHBondContact O-CA 3.46Å; A92-G100 PolarHBondContact O-N 2.86Å; A92-G100 VanDerWaalsContact O-O 3.09Å; A92-K102 HydrophobicContact CB-CB 4.22Å; A92-V111 HydrophobicContact CB-CG1 4.08Å; A92-V111 HydrophobicContact CB-CG2 4.24Å |
| 93 | Q | 96.6 | Very high | 92.8 | Very high | 115 Ų | 115 | 43.3 Ų | 43.3 | 54% | 0.537 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 126.4 | 175.7 | -170.3 | 164.5 | 12.7 | 0 | 0 | 109.9 | F75 | F75-Q93 HydrophobicContact CB-CB 3.93Å; F75-Q93 HydrophobicContact CB-CG 3.8Å; F75-Q93 HydrophobicContact CD1-CB 3.66Å; F75-Q93 HydrophobicContact CD1-CG 4.08Å; F75-Q93 HydrophobicContact CD2-CB 4.44Å; F75-Q93 HydrophobicContact CE1-CB 4.26Å; F75-Q93 HydrophobicContact CG-CB 3.75Å; F75-Q93 HydrophobicContact CG-CG 4.14Å |
| 94 | M | 94.1 | Very high | 93.2 | Very high | 17 Ų | 17 | 46.9 Ų | 46.9 | 8% | 0.084 | 27% | 0.268 | C | S | . | . | trans | -68.2 | 157.4 | 169.9 | -65.4 | -65.9 | -72.2 | 0 | 0 | 110.5 | S96 G97 A98 V111 F596 | M94-S96 PolarHBondContact O-N 3.48Å; M94-S96 VanDerWaalsContact O-N 3.14Å; M94-G97 WeakPolarHBondContact O-CA 3.44Å; M94-G97 PolarHBondContact O-N 3.34Å; M94-A98 HydrophobicContact CB-CB 4.21Å; M94-A98 WeakPolarHBondContact CB-O 3.22Å; M94-A98 HydrophobicContact CG-CB 4.31Å; M94-A98 PolarHBondContact N-O 2.84Å; M94-V111 HydrophobicContact SD-CG1 3.82Å; M94-F596 HydrophobicContact CE-CZ 4.31Å | ||
| 95 | P | 91.7 | Very high | 93.6 | Very high | 137 Ų | 137 | 43.6 Ų | 43.6 | 89% | 0.89 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -30 | 173.9 | -26.4 | 35.7 | 0 | 0 | 0 | 113.9 | G97 | P95-G97 PolarHBondContact O-N 3.3Š|
| 96 | S | 89.1 | Confident | 94.1 | Very high | 61 Ų | 61 | 42.7 Ų | 42.7 | 43% | 0.427 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -6.3 | 173.3 | 56.4 | 0 | 0 | 0 | 0 | 114.6 | M94 A98 | M94-S96 PolarHBondContact O-N 3.48Å; M94-S96 VanDerWaalsContact O-N 3.14Å; S96-A98 VanDerWaalsContact C-N 3.28Å; S96-A98 PolarHBondContact O-N 3.47Å |
| 97 | G | 93.1 | Very high | 94.6 | Very high | 14 Ų | 14 | 45.9 Ų | 45.9 | 14% | 0.144 | 25% | 0.251 | C | S | . | . | S | Bend | trans | 82.8 | -5.1 | -172.7 | 0 | 0 | 0 | 0 | 0 | 115 | F75 M94 P95 | F75-G97 PolarHBondContact N-O 3.42Å; M94-G97 WeakPolarHBondContact O-CA 3.44Å; M94-G97 PolarHBondContact O-N 3.34Å; P95-G97 PolarHBondContact O-N 3.3Å |
| 98 | A | 93.5 | Very high | 95 | Very high | 14 Ų | 14 | 48.5 Ų | 48.5 | 12% | 0.116 | 26% | 0.262 | C | S | . | . | B | Isolated β-bridge | trans | -66.5 | 163.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | M94 S96 G100 W586 | M94-A98 HydrophobicContact CB-CB 4.21Å; M94-A98 WeakPolarHBondContact CB-O 3.22Å; M94-A98 HydrophobicContact CG-CB 4.31Å; M94-A98 PolarHBondContact N-O 2.84Å; S96-A98 VanDerWaalsContact C-N 3.28Å; S96-A98 PolarHBondContact O-N 3.47Å; A98-G100 PolarHBondContact O-N 3.15Å; A98-W586 HydrophobicContact CB-CE3 4.35Å |
| 99 | T | 96.3 | Very high | 95.3 | Very high | 2 Ų | 2 | 52.8 Ų | 52.8 | 1% | 0.012 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 124.2 | 174.4 | -53.7 | 0 | 0 | 0 | 0 | 110.7 | F70 R73 A74 F75 V80 L91 | F70-T99 HydrophobicContact CB-CG2 4.11Å; F70-T99 HydrophobicContact CG-CG2 4.37Å; R73-T99 WeakPolarHBondContact O-CB 3.15Å; R73-T99 PolarHBondContact O-N 2.98Å; R73-T99 PolarHBondContact O-OG1 3.28Å; A74-T99 PolarHBondContact O-OG1 3.31Å; F75-T99 PolarHBondContact N-OG1 3.49Å; V80-T99 HydrophobicContact CG1-CG2 3.74Å; L91-T99 HydrophobicContact CD2-CG2 4.25Å |
| 100 | G | 96.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 154 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L91 A92 A98 F112 | L91-G100 WeakPolarHBondContact CA-O 2.9Å; A92-G100 PolarHBondContact N-O 3.26Å; A92-G100 WeakPolarHBondContact O-CA 3.46Å; A92-G100 PolarHBondContact O-N 2.86Å; A92-G100 VanDerWaalsContact O-O 3.09Å; A98-G100 PolarHBondContact O-N 3.15Å; G100-F112 CarbonylContact C-O 3.48Å; G100-F112 WeakPolarHBondContact CA-O 3.16Å |
| 101 | I | 97.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 121.7 | 179.5 | -69.6 | 156.8 | 0 | 0 | 0 | 107.9 | V64 F67 Y89 L91 V103 V111 F112 V114 I117 | V64-I101 HydrophobicContact CG1-CD1 4.09Å; V64-I101 HydrophobicContact CG1-CG2 3.85Å; V64-I101 HydrophobicContact CG2-CG2 3.75Å; F67-I101 HydrophobicContact CB-CD1 3.67Å; Y89-I101 HydrophobicContact CD2-CG2 3.87Å; Y89-I101 HydrophobicContact CE2-CG1 4.22Å; Y89-I101 HydrophobicContact CE2-CG2 4.11Å; L91-I101 HydrophobicContact CD2-CG1 3.69Å; I101-V103 HydrophobicContact CG2-CG1 4.26Å; I101-V111 WeakPolarHBondContact O-CA 3.45Å; I101-F112 PolarHBondContact N-O 3.32Å; I101-F112 PolarHBondContact O-N 2.8Å; I101-V114 HydrophobicContact CD1-CG2 4.37Å; I101-I117 HydrophobicContact CB-CG1 4.45Å; I101-I117 HydrophobicContact CD1-CG1 3.9Å |
| 102 | K | 97.6 | Very high | 95.7 | Very high | 63 Ų | 63 | 57.6 Ų | 57.6 | 27% | 0.274 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 126.4 | -173.7 | 166.2 | 173.2 | 162.1 | 151.1 | 0 | 110.3 | D90 A92 E109 R110 V111 | D90-K102 HydrophobicContact CB-CB 3.92Å; D90-K102 HydrophobicContact CB-CD 4.16Å; D90-K102 HydrophobicContact CB-CG 4.1Å; D90-K102 PolarHBondContact O-N 3.05Å; A92-K102 HydrophobicContact CB-CB 4.22Å; K102-E109 HydrophobicContact CD-CG 4.38Å; K102-E109 VanDerWaalsContact CE-OE1 3.24Å; K102-E109 WeakPolarHBondContact CE-OE1 3.37Å; K102-E109 WeakPolarHBondContact CE-OE2 3.19Å; K102-E109 HydrophobicContact CG-CG 4.27Å; K102-E109 IonicContact NZ-OE1 3.91Å; K102-E109 PolarHBondContact NZ-OE1 3.38Å; K102-E109 IonicContact NZ-OE2 3.31Å; K102-E109 PolarHBondContact NZ-OE2 2.93Å; K102-R110 WeakPolarHBondContact CA-O 3.41Å; K102-V111 HydrophobicContact CB-CG2 4.25Å |
| 103 | V | 97.4 | Very high | 95.8 | Very high | 6 Ų | 6 | 56.6 Ų | 56.6 | 4% | 0.036 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 160.5 | -176.8 | -66 | 0 | 0 | 0 | 0 | 110.9 | F41 N62 V64 I101 R110 F112 | F41-V103 HydrophobicContact CB-CB 4.39Å; F41-V103 HydrophobicContact CB-CG2 4.26Å; F41-V103 HydrophobicContact CD1-CG2 4.24Å; F41-V103 HydrophobicContact CD2-CB 3.99Å; F41-V103 HydrophobicContact CD2-CG1 3.85Å; F41-V103 HydrophobicContact CD2-CG2 3.7Å; F41-V103 HydrophobicContact CE2-CG1 4.23Å; F41-V103 HydrophobicContact CE2-CG2 4.06Å; F41-V103 HydrophobicContact CG-CB 4.28Å; F41-V103 HydrophobicContact CG-CG2 3.8Å; F41-V103 HydrophobicContact CZ-CG2 4.46Å; N62-V103 HydrophobicContact CB-CB 4.48Å; V64-V103 HydrophobicContact CG2-CG1 3.89Å; I101-V103 HydrophobicContact CG2-CG1 4.26Å; V103-R110 PolarHBondContact N-O 3.34Å; V103-R110 PolarHBondContact O-N 3.12Å; V103-F112 HydrophobicContact CG2-CD2 3.78Å; V103-F112 HydrophobicContact CG2-CE2 3.74Å |
| 104 | L | 97.6 | Very high | 95.8 | Very high | 87 Ų | 87 | 51.2 Ų | 51.2 | 46% | 0.455 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 123.2 | 163.3 | -160.6 | 77.7 | 0 | 0 | 0 | 109 | F41 N62 E108 | F41-L104 WeakPolarHBondContact CB-O 3.35Å; N62-L104 WeakPolarHBondContact OD1-CB 3.45Å; N62-L104 PolarHBondContact OD1-N 3.1Å; L104-E108 WeakPolarHBondContact CA-O 3.46Å |
| 105 | Y | 97.3 | Very high | 96 | Very high | 14 Ų | 14 | 50.8 Ų | 50.8 | 6% | 0.055 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 129.8 | 177.1 | 175.8 | -122.6 | 0 | 0 | 0 | 109.8 | F41 R46 E107 E108 F112 M603 | F41-Y105 HydrophobicContact CB-CD2 4.12Å; F41-Y105 HydrophobicContact CB-CG 4.46Å; F41-Y105 AromaticContact CD1-CD2 3.72Å; F41-Y105 HydrophobicContact CD1-CD2 3.72Å; F41-Y105 HydrophobicContact CD1-CE2 4.39Å; F41-Y105 AromaticContact CD1-CG 3.81Å; F41-Y105 HydrophobicContact CD1-CG 3.81Å; F41-Y105 HydrophobicContact CG-CD2 4.43Å; R46-Y105 HydrophobicContact CB-CE2 4.43Å; Y105-E107 PolarHBondContact O-N 3.26Å; Y105-E108 PolarHBondContact N-O 2.98Å; Y105-E108 PolarHBondContact O-N 3.48Å; Y105-E108 VanDerWaalsContact O-N 3.09Å; Y105-F112 HydrophobicContact CD1-CZ 4.08Å; Y105-M603 HydrophobicContact CE1-CG 4.04Å; Y105-M603 HydrophobicContact CE1-SD 4.04Å |
| 106 | M | 94.9 | Very high | 96.3 | Very high | 82 Ų | 82 | 44.9 Ų | 44.9 | 40% | 0.404 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.2 | 42.3 | -172.3 | -58.5 | -175.5 | 70.9 | 0 | 0 | 112.2 | G42 P43 E108 Q606 | G42-M106 PolarHBondContact O-N 2.98Å; P43-M106 WeakPolarHBondContact O-CA 3.4Å; M106-E108 PolarHBondContact O-N 2.9Å; M106-Q606 HydrophobicContact CE-CG 4.25Å; M106-Q606 HydrophobicContact SD-CG 4.13Å |
| 107 | E | 93.6 | Very high | 96.8 | Very high | 155 Ų | 155 | 42 Ų | 42 | 72% | 0.724 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.4 | -0.2 | -177.7 | -49.4 | -167.3 | 144.2 | 0 | 0 | 115.9 | P43 Y105 | P43-E107 HydrophobicContact CB-CG 4.02Å; Y105-E107 PolarHBondContact O-N 3.26Å |
| 108 | E | 96.4 | Very high | 97.1 | Very high | 101 Ų | 101 | 41.3 Ų | 41.3 | 47% | 0.472 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 149.8 | 175.4 | -66 | -176.1 | 156 | 0 | 0 | 112.6 | L104 Y105 M106 R110 | L104-E108 WeakPolarHBondContact CA-O 3.46Å; Y105-E108 PolarHBondContact N-O 2.98Å; Y105-E108 PolarHBondContact O-N 3.48Å; Y105-E108 VanDerWaalsContact O-N 3.09Å; M106-E108 PolarHBondContact O-N 2.9Å; E108-R110 HydrophobicContact CB-CG 4.48Å; E108-R110 PolarHBondContact O-N 3.44Å; E108-R110 IonicContact OE2-CZ 2.82Å; E108-R110 IonicContact OE2-NE 3.47Å; E108-R110 PolarHBondContact OE2-NE 3.25Å; E108-R110 IonicContact OE2-NH2 3Å; E108-R110 PolarHBondContact OE2-NH2 3.2Å |
| 109 | E | 97.1 | Very high | 97.3 | Very high | 123 Ų | 123 | 40.6 Ų | 40.6 | 58% | 0.575 | 19% | 0.191 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 118.2 | 168.1 | -178.1 | 173.9 | 133.7 | 0 | 0 | 110 | K102 | K102-E109 HydrophobicContact CD-CG 4.38Å; K102-E109 VanDerWaalsContact CE-OE1 3.24Å; K102-E109 WeakPolarHBondContact CE-OE1 3.37Å; K102-E109 WeakPolarHBondContact CE-OE2 3.19Å; K102-E109 HydrophobicContact CG-CG 4.27Å; K102-E109 IonicContact NZ-OE1 3.91Å; K102-E109 PolarHBondContact NZ-OE1 3.38Å; K102-E109 IonicContact NZ-OE2 3.31Å; K102-E109 PolarHBondContact NZ-OE2 2.93Å |
| 110 | R | 96.9 | Very high | 97.4 | Very high | 122 Ų | 122 | 40.5 Ų | 40.5 | 46% | 0.46 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 142.8 | 178.2 | -62.7 | -59.1 | -168.9 | 126.7 | -6.1 | 110.5 | K102 V103 E108 F112 | K102-R110 WeakPolarHBondContact CA-O 3.41Å; V103-R110 PolarHBondContact N-O 3.34Å; V103-R110 PolarHBondContact O-N 3.12Å; E108-R110 HydrophobicContact CB-CG 4.48Å; E108-R110 PolarHBondContact O-N 3.44Å; E108-R110 IonicContact OE2-CZ 2.82Å; E108-R110 IonicContact OE2-NE 3.47Å; E108-R110 PolarHBondContact OE2-NE 3.25Å; E108-R110 IonicContact OE2-NH2 3Å; E108-R110 PolarHBondContact OE2-NH2 3.2Å; R110-F112 HydrophobicContact CB-CD2 4.44Å; R110-F112 HydrophobicContact CB-CE2 3.81Å; R110-F112 HydrophobicContact CB-CZ 4.11Å |
| 111 | V | 97.7 | Very high | 97.5 | Very high | 57 Ų | 57 | 40.5 Ų | 40.5 | 35% | 0.345 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 122.6 | 171.5 | -173.8 | 0 | 0 | 0 | 0 | 108.1 | A92 M94 I101 K102 | A92-V111 HydrophobicContact CB-CG1 4.08Å; A92-V111 HydrophobicContact CB-CG2 4.24Å; M94-V111 HydrophobicContact SD-CG1 3.82Å; I101-V111 WeakPolarHBondContact O-CA 3.45Å; K102-V111 HydrophobicContact CB-CG2 4.25Å |
| 112 | F | 98.1 | Very high | 97.5 | Very high | 17 Ų | 17 | 40.5 Ų | 40.5 | 8% | 0.075 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 143.7 | 177.5 | -65.4 | -78.5 | 0 | 0 | 0 | 110.6 | F41 G100 I101 V103 Y105 R110 Q116 I117 M120 M603 | F41-F112 AromaticContact CD1-CE2 3.93Å; F41-F112 HydrophobicContact CD1-CE2 3.93Å; F41-F112 HydrophobicContact CD1-CZ 4.44Å; F41-F112 AromaticContact CE1-CD2 3.95Å; F41-F112 HydrophobicContact CE1-CD2 3.95Å; F41-F112 AromaticContact CE1-CE2 3.41Å; F41-F112 HydrophobicContact CE1-CE2 3.41Å; F41-F112 VanDerWaalsContact CE1-CE2 3.41Å; F41-F112 AromaticContact CE1-CZ 3.85Å; F41-F112 HydrophobicContact CE1-CZ 3.85Å; F41-F112 AromaticContact CZ-CD2 3.86Å; F41-F112 HydrophobicContact CZ-CD2 3.86Å; F41-F112 AromaticContact CZ-CE2 3.83Å; F41-F112 HydrophobicContact CZ-CE2 3.83Å; G100-F112 CarbonylContact C-O 3.48Å; G100-F112 WeakPolarHBondContact CA-O 3.16Å; I101-F112 PolarHBondContact N-O 3.32Å; I101-F112 PolarHBondContact O-N 2.8Å; V103-F112 HydrophobicContact CG2-CD2 3.78Å; V103-F112 HydrophobicContact CG2-CE2 3.74Å; Y105-F112 HydrophobicContact CD1-CZ 4.08Å; R110-F112 HydrophobicContact CB-CD2 4.44Å; R110-F112 HydrophobicContact CB-CE2 3.81Å; R110-F112 HydrophobicContact CB-CZ 4.11Å; F112-Q116 VanDerWaalsContact CA-OE1 3.31Å; F112-Q116 HydrophobicContact CB-CB 4.29Å; F112-Q116 HydrophobicContact CD1-CB 4.43Å; F112-I117 HydrophobicContact CB-CD1 3.7Å; F112-I117 HydrophobicContact CB-CG1 4.07Å; F112-I117 HydrophobicContact CD2-CD1 4.29Å; F112-I117 HydrophobicContact CG-CD1 4.18Å; F112-M120 HydrophobicContact CD1-CE 3.68Å; F112-M120 HydrophobicContact CD2-CE 4.46Å; F112-M120 HydrophobicContact CE1-CE 3.8Å; F112-M120 HydrophobicContact CG-CE 4.03Å; F112-M120 HydrophobicContact CZ-CE 4.25Å; F112-M603 HydrophobicContact CE1-CE 4.12Å; F112-M603 HydrophobicContact CE1-SD 3.84Å; F112-M603 HydrophobicContact CZ-SD 4.01Å |
| 113 | S | 97.6 | Very high | 97.5 | Very high | 2 Ų | 2 | 37.8 Ų | 37.8 | 1% | 0.014 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 162.3 | 171.6 | 96.4 | 0 | 0 | 0 | 0 | 111.3 | E115 Q116 I117 | S113-E115 WeakPolarHBondContact CB-OE2 3.35Å; S113-E115 PolarHBondContact O-N 2.95Å; S113-E115 WeakPolarHBondContact OG-CB 3.33Å; S113-E115 PolarHBondContact OG-N 2.97Å; S113-E115 PolarHBondContact OG-OE2 3.45Å; S113-Q116 WeakPolarHBondContact O-CB 3.39Å; S113-Q116 PolarHBondContact O-N 3.47Å; S113-Q116 VanDerWaalsContact O-N 3.16Å; S113-Q116 PolarHBondContact OG-N 3.42Å; S113-I117 WeakPolarHBondContact O-CG1 3.43Å; S113-I117 PolarHBondContact O-N 2.72Å |
| 114 | V | 97.8 | Very high | 97.6 | Very high | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.006 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.8 | -34.8 | 177.6 | -172.2 | 0 | 0 | 0 | 0 | 110.8 | F67 F70 I101 Q116 I117 T118 | F67-V114 HydrophobicContact CD2-CG1 4.46Å; F70-V114 HydrophobicContact CB-CG1 4.46Å; F70-V114 HydrophobicContact CB-CG2 3.73Å; I101-V114 HydrophobicContact CD1-CG2 4.37Å; V114-Q116 VanDerWaalsContact C-N 3.34Å; V114-I117 PolarHBondContact O-N 2.82Å; V114-T118 WeakPolarHBondContact O-CB 3.33Å; V114-T118 PolarHBondContact O-N 2.76Å; V114-T118 PolarHBondContact O-OG1 3.1Å |
| 115 | E | 98.1 | Very high | 97.6 | Very high | 9 Ų | 9 | 34.5 Ų | 34.5 | 4% | 0.042 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.8 | -43.7 | 173 | -56.5 | 66.8 | -147 | 0 | 0 | 110.8 | S113 G119 S155 D158 A159 I162 L588 | S113-E115 WeakPolarHBondContact CB-OE2 3.35Å; S113-E115 PolarHBondContact O-N 2.95Å; S113-E115 WeakPolarHBondContact OG-CB 3.33Å; S113-E115 PolarHBondContact OG-N 2.97Å; S113-E115 PolarHBondContact OG-OE2 3.45Å; E115-G119 PolarHBondContact O-N 3Å; E115-S155 WeakPolarHBondContact OE1-CB 3.32Å; E115-S155 PolarHBondContact OE1-OG 2.95Å; E115-D158 HydrophobicContact CG-CB 4.29Å; E115-A159 HydrophobicContact CB-CB 4.43Å; E115-A159 VanDerWaalsContact O-CB 3.3Å; E115-A159 WeakPolarHBondContact O-CB 3.48Å; E115-I162 HydrophobicContact CB-CD1 3.88Å; E115-L588 HydrophobicContact CB-CD1 4.1Å; E115-L588 HydrophobicContact CG-CD1 3.98Å; E115-L588 HydrophobicContact CG-CG 4.43Å |
| 116 | Q | 98.4 | Very high | 97.6 | Very high | 12 Ų | 12 | 35.6 Ų | 35.6 | 6% | 0.056 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.3 | -49.8 | 176.2 | -66.5 | -179.5 | -64.5 | 0 | 0 | 111.8 | F112 S113 V114 T118 G119 M120 I162 F596 | F112-Q116 VanDerWaalsContact CA-OE1 3.31Å; F112-Q116 HydrophobicContact CB-CB 4.29Å; F112-Q116 HydrophobicContact CD1-CB 4.43Å; S113-Q116 WeakPolarHBondContact O-CB 3.39Å; S113-Q116 PolarHBondContact O-N 3.47Å; S113-Q116 VanDerWaalsContact O-N 3.16Å; S113-Q116 PolarHBondContact OG-N 3.42Å; V114-Q116 VanDerWaalsContact C-N 3.34Å; Q116-T118 VanDerWaalsContact C-N 3.33Å; Q116-T118 PolarHBondContact O-N 2.89Å; Q116-G119 WeakPolarHBondContact O-CA 3.39Å; Q116-G119 PolarHBondContact O-N 3.08Å; Q116-M120 WeakPolarHBondContact O-CG 3.42Å; Q116-M120 PolarHBondContact O-N 3.14Å; Q116-I162 HydrophobicContact CG-CD1 4.26Å; Q116-F596 HydrophobicContact CG-CB 4.1Å; Q116-F596 HydrophobicContact CG-CD1 4.23Å; Q116-F596 HydrophobicContact CG-CD2 3.46Å; Q116-F596 VanDerWaalsContact CG-CD2 3.46Å; Q116-F596 HydrophobicContact CG-CE2 3.85Å; Q116-F596 HydrophobicContact CG-CG 3.67Å; Q116-F596 HydrophobicContact CG-CZ 4.39Å; Q116-F596 VanDerWaalsContact NE2-CD1 3.3Å |
| 117 | I | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -59 | -43.6 | 178.7 | -60.3 | -61.2 | 0 | 0 | 0 | 111.2 | V39 F41 V64 F67 I101 F112 S113 V114 G119 M120 L121 | V39-I117 HydrophobicContact CB-CG2 4.4Å; V39-I117 HydrophobicContact CG2-CG2 3.96Å; F41-I117 HydrophobicContact CE2-CD1 3.8Å; F41-I117 HydrophobicContact CZ-CD1 3.54Å; V64-I117 HydrophobicContact CG1-CG2 4.33Å; F67-I117 HydrophobicContact CD1-CG2 3.79Å; F67-I117 HydrophobicContact CD2-CB 4.24Å; F67-I117 HydrophobicContact CD2-CG2 3.63Å; F67-I117 HydrophobicContact CE1-CG2 3.8Å; F67-I117 HydrophobicContact CE2-CB 4.42Å; F67-I117 HydrophobicContact CE2-CG2 3.66Å; F67-I117 HydrophobicContact CG-CG2 3.7Å; F67-I117 HydrophobicContact CZ-CG2 3.73Å; I101-I117 HydrophobicContact CB-CG1 4.45Å; I101-I117 HydrophobicContact CD1-CG1 3.9Å; F112-I117 HydrophobicContact CB-CD1 3.7Å; F112-I117 HydrophobicContact CB-CG1 4.07Å; F112-I117 HydrophobicContact CD2-CD1 4.29Å; F112-I117 HydrophobicContact CG-CD1 4.18Å; S113-I117 WeakPolarHBondContact O-CG1 3.43Å; S113-I117 PolarHBondContact O-N 2.72Å; V114-I117 PolarHBondContact O-N 2.82Å; I117-G119 VanDerWaalsContact C-N 3.33Å; I117-M120 HydrophobicContact CD1-CE 4.16Å; I117-M120 PolarHBondContact O-N 3.02Å; I117-L121 PolarHBondContact O-N 3.1Å |
| 118 | T | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -66.6 | -34.7 | 174.4 | -63.6 | 0 | 0 | 0 | 0 | 112 | L8 F67 H71 V114 Q116 L121 L122 A159 | L8-T118 HydrophobicContact CD2-CG2 3.87Å; F67-T118 WeakPolarHBondContact CE2-OG1 3.17Å; H71-T118 PolarHBondContact CE1-OG1 3.23Å; H71-T118 PolarHBondContact NE2-OG1 2.9Å; V114-T118 WeakPolarHBondContact O-CB 3.33Å; V114-T118 PolarHBondContact O-N 2.76Å; V114-T118 PolarHBondContact O-OG1 3.1Å; Q116-T118 VanDerWaalsContact C-N 3.33Å; Q116-T118 PolarHBondContact O-N 2.89Å; T118-L121 PolarHBondContact O-N 3.02Å; T118-L122 HydrophobicContact CG2-CD1 4.02Å; T118-L122 HydrophobicContact CG2-CG 4.32Å; T118-L122 WeakPolarHBondContact O-CB 3.39Å; T118-L122 WeakPolarHBondContact O-CG 3.45Å; T118-L122 PolarHBondContact O-N 3.37Å; T118-A159 HydrophobicContact CG2-CB 3.68Å |
| 119 | G | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -57 | -46.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | E115 Q116 I117 L121 L122 T123 A159 | E115-G119 PolarHBondContact O-N 3Å; Q116-G119 WeakPolarHBondContact O-CA 3.39Å; Q116-G119 PolarHBondContact O-N 3.08Å; I117-G119 VanDerWaalsContact C-N 3.33Å; G119-L121 VanDerWaalsContact C-N 3.32Å; G119-L121 PolarHBondContact O-N 3.36Å; G119-L122 PolarHBondContact O-N 2.83Å; G119-T123 PolarHBondContact O-N 3.14Å; G119-T123 PolarHBondContact O-OG1 2.96Å; G119-A159 WeakPolarHBondContact CA-O 3.31Å |
| 120 | M | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -59 | -43.6 | 175.8 | -38.8 | -159.6 | -179.4 | 0 | 0 | 111.7 | V39 F41 R46 I48 F112 Q116 I117 T123 K124 M603 | V39-M120 HydrophobicContact CG1-CB 4.4Å; V39-M120 HydrophobicContact CG1-SD 3.89Å; V39-M120 HydrophobicContact CG2-CB 4.31Å; F41-M120 HydrophobicContact CE1-CE 3.86Å; F41-M120 HydrophobicContact CE1-SD 3.69Å; F41-M120 HydrophobicContact CZ-CE 3.79Å; F41-M120 HydrophobicContact CZ-SD 3.55Å; F41-M120 VanDerWaalsContact CZ-SD 3.55Å; R46-M120 PolarHBondContact NH1-SD 2.83Å; I48-M120 HydrophobicContact CD1-CB 3.99Å; I48-M120 WeakPolarHBondContact CD1-O 3.34Å; F112-M120 HydrophobicContact CD1-CE 3.68Å; F112-M120 HydrophobicContact CD2-CE 4.46Å; F112-M120 HydrophobicContact CE1-CE 3.8Å; F112-M120 HydrophobicContact CG-CE 4.03Å; F112-M120 HydrophobicContact CZ-CE 4.25Å; Q116-M120 WeakPolarHBondContact O-CG 3.42Å; Q116-M120 PolarHBondContact O-N 3.14Å; I117-M120 HydrophobicContact CD1-CE 4.16Å; I117-M120 PolarHBondContact O-N 3.02Å; M120-T123 WeakPolarHBondContact O-CB 3.48Å; M120-T123 PolarHBondContact O-N 3.5Å; M120-K124 PolarHBondContact O-N 2.83Å; M120-K124 VanDerWaalsContact O-N 3.1Å; M120-M603 HydrophobicContact CE-CE 3.69Å; M120-M603 HydrophobicContact CE-SD 3.99Å |
| 121 | L | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -65.4 | -42.5 | 177.1 | -177.3 | 57.9 | 0 | 0 | 0 | 111.6 | L8 I48 F67 I117 T118 G119 K124 L125 | L8-L121 HydrophobicContact CD1-CD2 4.03Å; L8-L121 HydrophobicContact CD1-CG 4.32Å; I48-L121 HydrophobicContact CG2-CD1 4.22Å; F67-L121 HydrophobicContact CZ-CD2 3.86Å; I117-L121 PolarHBondContact O-N 3.1Å; T118-L121 PolarHBondContact O-N 3.02Å; G119-L121 VanDerWaalsContact C-N 3.32Å; G119-L121 PolarHBondContact O-N 3.36Å; L121-K124 WeakPolarHBondContact O-CB 3.21Å; L121-K124 PolarHBondContact O-N 3.03Å; L121-K124 VanDerWaalsContact O-N 3.13Å; L121-L125 WeakPolarHBondContact O-CG 3.45Å; L121-L125 PolarHBondContact O-N 3.05Å |
| 122 | L | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -65 | -38.1 | 175.6 | -74.4 | 170.9 | 0 | 0 | 0 | 112.4 | F6 L8 T118 G119 K124 L125 K126 I142 A159 A160 A163 L165 | F6-L122 HydrophobicContact CD2-CD2 4.4Å; L8-L122 HydrophobicContact CD1-CD2 3.99Å; L8-L122 HydrophobicContact CD1-CG 4.34Å; L8-L122 HydrophobicContact CD2-CD2 4.48Å; T118-L122 HydrophobicContact CG2-CD1 4.02Å; T118-L122 HydrophobicContact CG2-CG 4.32Å; T118-L122 WeakPolarHBondContact O-CB 3.39Å; T118-L122 WeakPolarHBondContact O-CG 3.45Å; T118-L122 PolarHBondContact O-N 3.37Å; G119-L122 PolarHBondContact O-N 2.83Å; L122-K124 VanDerWaalsContact C-N 3.27Å; L122-K124 PolarHBondContact O-N 2.97Å; L122-L125 HydrophobicContact CD2-CD1 4.48Å; L122-L125 PolarHBondContact O-N 3.26Å; L122-K126 VanDerWaalsContact O-CB 3.28Å; L122-K126 WeakPolarHBondContact O-CB 3.24Å; L122-K126 PolarHBondContact O-N 3.18Å; L122-I142 HydrophobicContact CD1-CD1 4.19Å; L122-I142 HydrophobicContact CD2-CD1 4.01Å; L122-I142 HydrophobicContact CD2-CG1 4.39Å; L122-A159 HydrophobicContact CD1-CB 4.16Å; L122-A160 HydrophobicContact CD1-CB 4.29Å; L122-A163 HydrophobicContact CB-CB 3.67Å; L122-L165 HydrophobicContact CB-CD1 4.11Å |
| 123 | T | 98.1 | Very high | 97.6 | Very high | 5 Ų | 5 | 16.6 Ų | 16.6 | 3% | 0.031 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -54.9 | -43.6 | 169 | -69.7 | 0 | 0 | 0 | 0 | 110.9 | G119 M120 K126 Q127 E600 I604 | G119-T123 PolarHBondContact O-N 3.14Å; G119-T123 PolarHBondContact O-OG1 2.96Å; M120-T123 WeakPolarHBondContact O-CB 3.48Å; M120-T123 PolarHBondContact O-N 3.5Å; T123-K126 WeakPolarHBondContact O-CB 3.24Å; T123-K126 PolarHBondContact O-N 2.96Å; T123-Q127 VanDerWaalsContact O-CG 3.32Å; T123-Q127 WeakPolarHBondContact O-CG 3.2Å; T123-Q127 PolarHBondContact O-N 2.84Å; T123-E600 WeakPolarHBondContact CB-OE1 3.33Å; T123-E600 PolarHBondContact OG1-OE1 3.12Å; T123-I604 HydrophobicContact CG2-CD1 3.63Å; T123-I604 HydrophobicContact CG2-CG1 3.81Å |
| 124 | K | 98 | Very high | 97.4 | Very high | 24 Ų | 24 | 24.7 Ų | 24.7 | 10% | 0.104 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -67.9 | -42.1 | 177.5 | -178.1 | 54.4 | 165.6 | 170.1 | 0 | 112.8 | E29 T35 I48 M120 L121 L122 K126 Q127 T128 | E29-K124 VanDerWaalsContact OE1-CE 3.3Å; E29-K124 WeakPolarHBondContact OE1-CE 3.33Å; E29-K124 IonicContact OE1-NZ 2.64Å; E29-K124 PolarHBondContact OE1-NZ 3.48Å; E29-K124 IonicContact OE2-NZ 3.14Å; E29-K124 PolarHBondContact OE2-NZ 3.07Å; T35-K124 HydrophobicContact CG2-CG 4.42Å; I48-K124 HydrophobicContact CB-CB 4Å; I48-K124 HydrophobicContact CB-CG 4.04Å; I48-K124 HydrophobicContact CD1-CB 4.46Å; I48-K124 HydrophobicContact CG2-CB 3.5Å; I48-K124 HydrophobicContact CG2-CG 3.82Å; M120-K124 PolarHBondContact O-N 2.83Å; M120-K124 VanDerWaalsContact O-N 3.1Å; L121-K124 WeakPolarHBondContact O-CB 3.21Å; L121-K124 PolarHBondContact O-N 3.03Å; L121-K124 VanDerWaalsContact O-N 3.13Å; L122-K124 VanDerWaalsContact C-N 3.27Å; L122-K124 PolarHBondContact O-N 2.97Å; K124-K126 VanDerWaalsContact C-N 3.32Å; K124-K126 PolarHBondContact O-N 3.17Å; K124-Q127 PolarHBondContact O-N 2.87Å; K124-T128 PolarHBondContact O-N 2.94Å; K124-T128 PolarHBondContact O-OG1 2.84Å |
| 125 | L | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65.2 | -36.8 | 175.6 | -59.4 | -178.1 | 0 | 0 | 0 | 112 | F6 L8 C13 V15 T35 L121 L122 T128 A129 | F6-L125 HydrophobicContact CB-CD1 4.37Å; F6-L125 HydrophobicContact CD1-CB 3.65Å; F6-L125 HydrophobicContact CD1-CD1 4.14Å; F6-L125 HydrophobicContact CE1-CB 3.54Å; F6-L125 WeakPolarHBondContact CE1-O 3.49Å; F6-L125 HydrophobicContact CG-CB 4.45Å; F6-L125 HydrophobicContact CG-CD1 4.41Å; F6-L125 HydrophobicContact CZ-CB 4.26Å; L8-L125 HydrophobicContact CD1-CD1 4.11Å; C13-L125 HydrophobicContact CB-CD1 3.73Å; C13-L125 HydrophobicContact CB-CD2 3.71Å; C13-L125 HydrophobicContact CB-CG 4.34Å; V15-L125 HydrophobicContact CG2-CB 3.98Å; V15-L125 HydrophobicContact CG2-CD2 3.8Å; V15-L125 HydrophobicContact CG2-CG 4.38Å; T35-L125 HydrophobicContact CG2-CD2 3.9Å; L121-L125 WeakPolarHBondContact O-CG 3.45Å; L121-L125 PolarHBondContact O-N 3.05Å; L122-L125 HydrophobicContact CD2-CD1 4.48Å; L122-L125 PolarHBondContact O-N 3.26Å; L125-T128 WeakPolarHBondContact O-CB 3.48Å; L125-T128 PolarHBondContact O-N 2.94Å; L125-A129 PolarHBondContact O-N 2.84Å |
| 126 | K | 98 | Very high | 97 | Very high | 38 Ų | 38 | 35.6 Ų | 35.6 | 17% | 0.165 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.8 | -50.9 | 170.7 | 172.7 | 178.8 | 175.6 | 168.6 | 0 | 111.6 | F6 L122 T123 K124 T128 A129 E130 V137 A163 G164 L165 | F6-K126 HydrophobicContact CZ-CB 4.5Å; L122-K126 VanDerWaalsContact O-CB 3.28Å; L122-K126 WeakPolarHBondContact O-CB 3.24Å; L122-K126 PolarHBondContact O-N 3.18Å; T123-K126 WeakPolarHBondContact O-CB 3.24Å; T123-K126 PolarHBondContact O-N 2.96Å; K124-K126 VanDerWaalsContact C-N 3.32Å; K124-K126 PolarHBondContact O-N 3.17Å; K126-T128 VanDerWaalsContact C-N 3.27Å; K126-T128 PolarHBondContact O-N 3.14Å; K126-A129 WeakPolarHBondContact O-CB 3.38Å; K126-A129 PolarHBondContact O-N 3.32Å; K126-E130 HydrophobicContact CG-CG 4.36Å; K126-E130 WeakPolarHBondContact O-CG 3.39Å; K126-E130 PolarHBondContact O-N 3.08Å; K126-V137 VanDerWaalsContact CE-O 3.22Å; K126-V137 WeakPolarHBondContact CE-O 3.5Å; K126-V137 HydrophobicContact CG-CB 4.31Å; K126-A163 PolarHBondContact NZ-O 3.43Å; K126-G164 PolarHBondContact NZ-O 3.2Å; K126-L165 HydrophobicContact CB-CD1 4.47Å; K126-L165 HydrophobicContact CB-CD2 4.32Å; K126-L165 HydrophobicContact CD-CD2 3.83Å; K126-L165 HydrophobicContact CD-CG 4.08Å; K126-L165 HydrophobicContact CG-CD2 4.17Å |
| 127 | Q | 97.1 | Very high | 96.9 | Very high | 71 Ų | 71 | 35 Ų | 35 | 33% | 0.332 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -55.9 | -39.9 | 175.4 | -73.5 | 170.1 | 0.8 | 0 | 0 | 112.5 | T123 K124 S131 | T123-Q127 VanDerWaalsContact O-CG 3.32Å; T123-Q127 WeakPolarHBondContact O-CG 3.2Å; T123-Q127 PolarHBondContact O-N 2.84Å; K124-Q127 PolarHBondContact O-N 2.87Å; Q127-S131 WeakPolarHBondContact O-CB 3.35Å; Q127-S131 PolarHBondContact O-N 3.04Å; Q127-S131 PolarHBondContact O-OG 2.81Å |
| 128 | T | 97.8 | Very high | 96.7 | Very high | 5 Ų | 5 | 38.9 Ų | 38.9 | 3% | 0.031 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.5 | -45.9 | 174.1 | -63.6 | 0 | 0 | 0 | 0 | 111.8 | V15 V26 A27 N28 K124 L125 K126 S131 A132 | V15-T128 HydrophobicContact CG2-CG2 4.23Å; V26-T128 HydrophobicContact CG2-CG2 4.02Å; A27-T128 WeakPolarHBondContact O-CG2 3.49Å; N28-T128 HydrophobicContact CB-CG2 4.33Å; K124-T128 PolarHBondContact O-N 2.94Å; K124-T128 PolarHBondContact O-OG1 2.84Å; L125-T128 WeakPolarHBondContact O-CB 3.48Å; L125-T128 PolarHBondContact O-N 2.94Å; K126-T128 VanDerWaalsContact C-N 3.27Å; K126-T128 PolarHBondContact O-N 3.14Å; T128-S131 PolarHBondContact O-N 3Å; T128-A132 PolarHBondContact O-N 3.19Å |
| 129 | A | 97.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.2 | -43.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | V4 F6 V15 V17 L125 K126 A132 L133 V137 | V4-A129 HydrophobicContact CG1-CB 3.8Å; V4-A129 HydrophobicContact CG2-CB 4.05Å; F6-A129 HydrophobicContact CE1-CB 4.38Å; V15-A129 HydrophobicContact CG1-CB 3.86Å; V17-A129 HydrophobicContact CG1-CB 4.34Å; L125-A129 PolarHBondContact O-N 2.84Å; K126-A129 WeakPolarHBondContact O-CB 3.38Å; K126-A129 PolarHBondContact O-N 3.32Å; A129-A132 PolarHBondContact O-N 2.78Å; A129-L133 WeakPolarHBondContact O-CB 3.38Å; A129-L133 WeakPolarHBondContact O-CG 3.33Å; A129-L133 PolarHBondContact O-N 2.9Å; A129-V137 HydrophobicContact CB-CG2 3.94Å |
| 130 | E | 96.8 | Very high | 96.5 | Very high | 54 Ų | 54 | 39.9 Ų | 39.9 | 25% | 0.252 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -63.9 | -41.7 | 176.6 | -69.2 | 178.7 | 147 | 0 | 0 | 111.5 | K126 A132 L133 K134 K135 P136 V137 | K126-E130 HydrophobicContact CG-CG 4.36Å; K126-E130 WeakPolarHBondContact O-CG 3.39Å; K126-E130 PolarHBondContact O-N 3.08Å; E130-A132 VanDerWaalsContact C-N 3.27Å; E130-A132 PolarHBondContact O-N 3.38Å; E130-L133 PolarHBondContact O-N 2.8Å; E130-K134 WeakPolarHBondContact O-CA 3.43Å; E130-K134 PolarHBondContact O-N 3.38Å; E130-K135 WeakPolarHBondContact CA-O 3.32Å; E130-P136 WeakPolarHBondContact OE1-CA 3.45Å; E130-V137 HydrophobicContact CG-CB 3.71Å; E130-V137 HydrophobicContact CG-CG2 3.6Å; E130-V137 PolarHBondContact OE1-N 2.93Å |
| 131 | S | 95.6 | Very high | 96.5 | Very high | 74 Ų | 74 | 39.9 Ų | 39.9 | 52% | 0.517 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -63.3 | -32.1 | 175.8 | -64.1 | 0 | 0 | 0 | 0 | 112.8 | Q127 T128 K134 | Q127-S131 WeakPolarHBondContact O-CB 3.35Å; Q127-S131 PolarHBondContact O-N 3.04Å; Q127-S131 PolarHBondContact O-OG 2.81Å; T128-S131 PolarHBondContact O-N 3Å; S131-K134 WeakPolarHBondContact O-CD 3.38Å; S131-K134 VanDerWaalsContact O-CE 3.24Å; S131-K134 WeakPolarHBondContact O-CE 3.35Å; S131-K134 PolarHBondContact O-NZ 2.94Å |
| 132 | A | 94.8 | Very high | 96.5 | Very high | 19 Ų | 19 | 39.9 Ų | 39.9 | 16% | 0.157 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -82.7 | -36.8 | 176 | 0 | 0 | 0 | 0 | 0 | 113.4 | R19 V26 T128 A129 E130 | R19-A132 PolarHBondContact NH2-O 3.3Å; V26-A132 HydrophobicContact CB-CB 3.8Å; V26-A132 HydrophobicContact CG1-CB 3.61Å; V26-A132 HydrophobicContact CG2-CB 4.11Å; T128-A132 PolarHBondContact O-N 3.19Å; A129-A132 PolarHBondContact O-N 2.78Å; E130-A132 VanDerWaalsContact C-N 3.27Å; E130-A132 PolarHBondContact O-N 3.38Å |
| 133 | L | 93.9 | Very high | 96.5 | Very high | 34 Ų | 34 | 39.9 Ų | 39.9 | 18% | 0.178 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -86.4 | -15.8 | -178.6 | -70.6 | 175 | 0 | 0 | 0 | 114 | V4 V17 A129 E130 K135 V137 | V4-L133 HydrophobicContact CG2-CD1 3.96Å; V17-L133 HydrophobicContact CB-CD1 4.25Å; V17-L133 HydrophobicContact CB-CD2 4.01Å; V17-L133 HydrophobicContact CB-CG 4.22Å; V17-L133 HydrophobicContact CG1-CD1 4.13Å; V17-L133 HydrophobicContact CG1-CG 4.2Å; V17-L133 HydrophobicContact CG2-CD2 3.89Å; V17-L133 HydrophobicContact CG2-CG 4.36Å; A129-L133 WeakPolarHBondContact O-CB 3.38Å; A129-L133 WeakPolarHBondContact O-CG 3.33Å; A129-L133 PolarHBondContact O-N 2.9Å; E130-L133 PolarHBondContact O-N 2.8Å; L133-K135 HydrophobicContact CB-CB 4.46Å; L133-K135 PolarHBondContact O-N 3.25Å; L133-V137 HydrophobicContact CD1-CG2 4.1Å |
| 134 | K | 94.4 | Very high | 96.4 | Very high | 173 Ų | 173 | 39.7 Ų | 39.7 | 75% | 0.752 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53 | 31.1 | -170.8 | -53.2 | -55.7 | -175.2 | -163.4 | 0 | 112.9 | E130 S131 | E130-K134 WeakPolarHBondContact O-CA 3.43Å; E130-K134 PolarHBondContact O-N 3.38Å; S131-K134 WeakPolarHBondContact O-CD 3.38Å; S131-K134 VanDerWaalsContact O-CE 3.24Å; S131-K134 WeakPolarHBondContact O-CE 3.35Å; S131-K134 PolarHBondContact O-NZ 2.94Å |
| 135 | K | 92.9 | Very high | 96.3 | Very high | 140 Ų | 140 | 38.5 Ų | 38.5 | 61% | 0.609 | 20% | 0.202 | S | C | * | . | S | Bend | trans | -148.3 | 149.3 | -175.7 | -67.4 | 177 | -174.3 | 177.1 | 0 | 109.3 | E130 L133 | E130-K135 WeakPolarHBondContact CA-O 3.32Å; L133-K135 HydrophobicContact CB-CB 4.46Å; L133-K135 PolarHBondContact O-N 3.25Å |
| 136 | P | 94.4 | Very high | 96.1 | Very high | 98 Ų | 98 | 38.7 Ų | 38.7 | 64% | 0.636 | 20% | 0.203 | S | C | * | . | trans | -57.1 | 151.4 | 174.5 | -24.9 | 34.7 | 0 | 0 | 0 | 113.4 | S2 E130 | S2-P136 PolarHBondContact OG-O 3.24Å; E130-P136 WeakPolarHBondContact OE1-CA 3.45Å | ||
| 137 | V | 95.5 | Very high | 95.9 | Very high | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.006 | 20% | 0.198 | C | C | . | . | trans | -120.4 | 118.7 | 176 | 171.6 | 0 | 0 | 0 | 0 | 108.9 | V4 K126 A129 E130 L133 L165 | V4-V137 HydrophobicContact CB-CG1 4.2Å; V4-V137 HydrophobicContact CG2-CB 4.42Å; V4-V137 HydrophobicContact CG2-CG1 3.69Å; V4-V137 HydrophobicContact CG2-CG2 3.76Å; K126-V137 VanDerWaalsContact CE-O 3.22Å; K126-V137 WeakPolarHBondContact CE-O 3.5Å; K126-V137 HydrophobicContact CG-CB 4.31Å; A129-V137 HydrophobicContact CB-CG2 3.94Å; E130-V137 HydrophobicContact CG-CB 3.71Å; E130-V137 HydrophobicContact CG-CG2 3.6Å; E130-V137 PolarHBondContact OE1-N 2.93Å; L133-V137 HydrophobicContact CD1-CG2 4.1Å; V137-L165 HydrophobicContact CG1-CD2 3.97Å | ||
| 138 | V | 93.9 | Very high | 95.8 | Very high | 80 Ų | 80 | 34.4 Ų | 34.4 | 49% | 0.485 | 18% | 0.183 | S | C | . | . | trans | -115.5 | -57.4 | 177.8 | -179.8 | 0 | 0 | 0 | 0 | 108.6 | L165 N166 | V138-L165 CarbonylContact O-C 3.38Å; V138-L165 WeakPolarHBondContact O-CA 3.44Å; V138-N166 HydrophobicContact CG1-CB 4.2Å; V138-N166 PolarHBondContact O-N 3.08Å | ||
| 139 | D | 95.8 | Very high | 95.7 | Very high | 22 Ų | 22 | 34.3 Ų | 34.3 | 12% | 0.118 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 137.7 | -177.6 | -47.9 | -78 | 0 | 0 | 0 | 112.4 | M1 N166 L168 | M1-D139 HydrophobicContact CE-CB 4.37Å; M1-D139 HydrophobicContact CG-CB 4.15Å; M1-D139 WeakPolarHBondContact CG-OD2 3.46Å; M1-D139 HydrophobicContact SD-CB 4.37Å; D139-N166 WeakPolarHBondContact CA-O 3.47Å; D139-N166 PolarHBondContact OD1-ND2 3.37Å; D139-L168 HydrophobicContact CB-CD1 3.96Å; D139-L168 HydrophobicContact CB-CD2 4.32Å; D139-L168 HydrophobicContact CB-CG 4.06Å |
| 140 | C | 97.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 168.2 | 176.2 | 70.3 | 0 | 0 | 0 | 0 | 113.4 | V4 F6 N166 L168 | V4-C140 WeakPolarHBondContact O-CA 3.36Å; F6-C140 HydrophobicContact CD2-CB 3.78Å; F6-C140 HydrophobicContact CE2-CB 3.54Å; C140-N166 PolarHBondContact N-O 3.31Å; C140-L168 PolarHBondContact O-N 2.99Å |
| 141 | V | 98.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 134.7 | 164.3 | 171.7 | 0 | 0 | 0 | 0 | 108.1 | V4 G5 F6 L168 R169 M171 C376 Q379 C380 L383 | V4-V141 PolarHBondContact O-N 3.46Å; V4-V141 VanDerWaalsContact O-N 3.08Å; G5-V141 WeakPolarHBondContact CA-O 3.47Å; F6-V141 PolarHBondContact N-O 2.83Å; V141-L168 HydrophobicContact CG2-CB 4.34Å; V141-R169 WeakPolarHBondContact CA-O 3.44Å; V141-R169 HydrophobicContact CG1-CB 4.4Å; V141-R169 WeakPolarHBondContact CG1-O 3.48Å; V141-R169 HydrophobicContact CG2-CB 4.18Å; V141-M171 HydrophobicContact CG1-CB 3.89Å; V141-M171 HydrophobicContact CG1-SD 4.32Å; V141-C376 HydrophobicContact CB-CB 4.18Å; V141-C376 WeakPolarHBondContact CB-O 3.44Å; V141-C376 HydrophobicContact CG1-CB 3.82Å; V141-Q379 HydrophobicContact CG1-CB 4.23Å; V141-Q379 HydrophobicContact CG1-CG 4.1Å; V141-Q379 HydrophobicContact CG2-CB 4.42Å; V141-Q379 HydrophobicContact CG2-CG 4.11Å; V141-C380 HydrophobicContact CB-CB 4.19Å; V141-C380 HydrophobicContact CG2-CB 3.7Å; V141-L383 HydrophobicContact CG2-CD1 4.32Å |
| 142 | I | 98.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 135.4 | -173.7 | -63 | 166.5 | 0 | 0 | 0 | 109.5 | F6 L8 L122 V156 A160 C167 R169 L170 M171 | F6-I142 HydrophobicContact CB-CG1 4.33Å; F6-I142 HydrophobicContact CD2-CG1 4.01Å; L8-I142 HydrophobicContact CB-CG2 4.17Å; L8-I142 HydrophobicContact CD2-CG2 4Å; L122-I142 HydrophobicContact CD1-CD1 4.19Å; L122-I142 HydrophobicContact CD2-CD1 4.01Å; L122-I142 HydrophobicContact CD2-CG1 4.39Å; I142-V156 HydrophobicContact CG2-CG1 3.99Å; I142-A160 HydrophobicContact CD1-CB 3.73Å; I142-C167 HydrophobicContact CD1-CB 4.39Å; I142-R169 PolarHBondContact N-O 2.81Å; I142-L170 HydrophobicContact CB-CD2 3.97Å; I142-L170 HydrophobicContact CG2-CD2 4.26Å; I142-L170 WeakPolarHBondContact O-CA 3.4Å; I142-M171 PolarHBondContact O-N 2.92Å |
| 143 | S | 98.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 143.2 | 173.5 | 77.8 | 0 | 0 | 0 | 0 | 112.4 | F6 D7 L8 M171 | F6-S143 PolarHBondContact O-N 2.81Å; D7-S143 WeakPolarHBondContact CA-OG 3.36Å; D7-S143 PolarHBondContact OD1-OG 3.04Å; L8-S143 PolarHBondContact N-OG 3.27Å; S143-M171 WeakPolarHBondContact CA-O 3.44Å |
| 144 | V | 97.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 151 | 167 | -68.4 | 0 | 0 | 0 | 0 | 110.2 | S146 Y148 V156 L170 M171 N172 E173 | V144-S146 PolarHBondContact O-N 2.74Å; V144-Y148 HydrophobicContact CB-CD2 3.82Å; V144-Y148 HydrophobicContact CB-CE2 4.39Å; V144-Y148 HydrophobicContact CB-CG 4.38Å; V144-Y148 HydrophobicContact CG1-CD2 3.9Å; V144-Y148 HydrophobicContact CG1-CE2 4.24Å; V144-V156 HydrophobicContact CG1-CB 4.34Å; V144-V156 HydrophobicContact CG1-CG1 4.09Å; V144-V156 HydrophobicContact CG1-CG2 4.17Å; V144-L170 HydrophobicContact CG1-CD1 4.28Å; V144-L170 HydrophobicContact CG1-CD2 4.18Å; V144-L170 HydrophobicContact CG2-CB 4.2Å; V144-M171 PolarHBondContact N-O 2.79Å; V144-N172 CarbonylContact O-C 3.43Å; V144-N172 WeakPolarHBondContact O-CA 3.46Å; V144-E173 VanDerWaalsContact C-CD 3.47Å; V144-E173 WeakPolarHBondContact O-CG 3.46Å; V144-E173 PolarHBondContact O-N 2.81Å |
| 145 | P | 96.1 | Very high | 96 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 11% | 0.106 | C | C | . | . | trans | -57.9 | 139.4 | 170.4 | -24 | 33.9 | 0 | 0 | 0 | 110.8 | F10 Y147 Y148 R153 E173 | F10-P145 HydrophobicContact CE2-CG 3.89Å; F10-P145 HydrophobicContact CZ-CG 4.34Å; P145-Y147 HydrophobicContact CB-CD1 3.81Å; P145-Y147 HydrophobicContact CB-CD2 4.22Å; P145-Y147 HydrophobicContact CB-CE1 3.52Å; P145-Y147 HydrophobicContact CB-CE2 3.96Å; P145-Y147 HydrophobicContact CB-CG 4.15Å; P145-Y147 HydrophobicContact CG-CE1 4.48Å; P145-Y147 PolarHBondContact O-N 3.02Å; P145-Y147 VanDerWaalsContact O-N 3.09Å; P145-Y148 HydrophobicContact CB-CD1 3.94Å; P145-Y148 HydrophobicContact CB-CE1 4.23Å; P145-Y148 HydrophobicContact CG-CD1 3.84Å; P145-Y148 HydrophobicContact CG-CE1 3.65Å; P145-Y148 HydrophobicContact CG-CG 4.45Å; P145-Y148 WeakPolarHBondContact O-CB 3.47Å; P145-Y148 PolarHBondContact O-N 3.47Å; P145-R153 PolarHBondContact O-NH2 3.19Å; P145-E173 VanDerWaalsContact CA-OE2 3.28Å; P145-E173 WeakPolarHBondContact CA-OE2 3.49Å; P145-E173 WeakPolarHBondContact CD-OE1 3.44Å; P145-E173 WeakPolarHBondContact CG-OE1 3.43Å | ||
| 146 | S | 94.1 | Very high | 96.3 | Very high | 3 Ų | 3 | 13.2 Ų | 13.2 | 2% | 0.021 | 8% | 0.077 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -30.5 | 178.2 | 56.8 | 0 | 0 | 0 | 0 | 112.7 | V144 R153 Q209 P399 | V144-S146 PolarHBondContact O-N 2.74Å; S146-R153 PolarHBondContact O-NH2 3.49Å; S146-R153 VanDerWaalsContact O-NH2 3.11Å; S146-Q209 PolarHBondContact OG-OE1 3.33Å; S146-P399 WeakPolarHBondContact O-CB 3.33Å; S146-P399 WeakPolarHBondContact O-CG 3.45Å |
| 147 | Y | 93.5 | Very high | 96.4 | Very high | 16 Ų | 16 | 10.6 Ų | 10.6 | 6% | 0.063 | 6% | 0.056 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | 0.7 | 177.4 | 59.7 | -97.5 | 0 | 0 | 0 | 115.8 | P145 T149 S206 G207 Q209 F227 Y400 | P145-Y147 HydrophobicContact CB-CD1 3.81Å; P145-Y147 HydrophobicContact CB-CD2 4.22Å; P145-Y147 HydrophobicContact CB-CE1 3.52Å; P145-Y147 HydrophobicContact CB-CE2 3.96Å; P145-Y147 HydrophobicContact CB-CG 4.15Å; P145-Y147 HydrophobicContact CG-CE1 4.48Å; P145-Y147 PolarHBondContact O-N 3.02Å; P145-Y147 VanDerWaalsContact O-N 3.09Å; Y147-T149 PolarHBondContact O-N 2.91Å; Y147-S206 PolarHBondContact OH-O 3.37Å; Y147-G207 WeakPolarHBondContact OH-CA 3.37Å; Y147-Q209 HydrophobicContact CD1-CG 3.97Å; Y147-Q209 HydrophobicContact CE1-CG 3.81Å; Y147-F227 HydrophobicContact CD1-CB 3.77Å; Y147-F227 HydrophobicContact CD1-CD1 4.42Å; Y147-F227 HydrophobicContact CD1-CD2 4.16Å; Y147-F227 AromaticContact CD1-CG 3.86Å; Y147-F227 HydrophobicContact CD1-CG 3.86Å; Y147-F227 HydrophobicContact CE1-CB 4.45Å; Y147-F227 HydrophobicContact CG-CB 4.49Å; Y147-F227 HydrophobicContact CG-CD2 4.06Å; Y147-F227 HydrophobicContact CG-CE2 4.46Å; Y147-F227 HydrophobicContact CG-CG 4.11Å; Y147-Y400 WeakPolarHBondContact O-CE2 3.44Å; Y147-Y400 PolarHBondContact O-OH 3.42Å; Y147-Y400 VanDerWaalsContact O-OH 3.07Å |
| 148 | Y | 95.3 | Very high | 96.6 | Very high | 4 Ų | 4 | 10.6 Ų | 10.6 | 2% | 0.016 | 6% | 0.056 | C | C | . | . | trans | -62.5 | 128.9 | 172.9 | -88.7 | 15.4 | 0 | 0 | 0 | 110.8 | F10 K68 V144 P145 E152 R153 V156 | F10-Y148 HydrophobicContact CZ-CE1 4.36Å; K68-Y148 WeakPolarHBondContact CE-OH 3.44Å; K68-Y148 PolarHBondContact O-OH 3.39Å; V144-Y148 HydrophobicContact CB-CD2 3.82Å; V144-Y148 HydrophobicContact CB-CE2 4.39Å; V144-Y148 HydrophobicContact CB-CG 4.38Å; V144-Y148 HydrophobicContact CG1-CD2 3.9Å; V144-Y148 HydrophobicContact CG1-CE2 4.24Å; P145-Y148 HydrophobicContact CB-CD1 3.94Å; P145-Y148 HydrophobicContact CB-CE1 4.23Å; P145-Y148 HydrophobicContact CG-CD1 3.84Å; P145-Y148 HydrophobicContact CG-CE1 3.65Å; P145-Y148 HydrophobicContact CG-CG 4.45Å; P145-Y148 WeakPolarHBondContact O-CB 3.47Å; P145-Y148 PolarHBondContact O-N 3.47Å; Y148-E152 HydrophobicContact CD1-CB 4.3Å; Y148-E152 HydrophobicContact CD2-CB 3.89Å; Y148-E152 HydrophobicContact CE2-CB 4.45Å; Y148-E152 HydrophobicContact CG-CB 3.81Å; Y148-R153 PolarHBondContact O-NE 2.92Å; Y148-R153 PolarHBondContact O-NH2 3.11Å; Y148-V156 HydrophobicContact CD2-CG2 4.38Å; Y148-V156 HydrophobicContact CE2-CG2 3.94Å | ||
| 149 | T | 95.1 | Very high | 96.8 | Very high | 3 Ų | 3 | 6.8 Ų | 6.8 | 2% | 0.018 | 3% | 0.033 | C | C | . | . | trans | -69.4 | 174.5 | 174.2 | 60.2 | 0 | 0 | 0 | 0 | 112.3 | Y147 A151 E152 R153 Y400 Y446 L452 Y454 | Y147-T149 PolarHBondContact O-N 2.91Å; T149-A151 VanDerWaalsContact C-N 3.33Å; T149-A151 PolarHBondContact O-N 3.19Å; T149-E152 WeakPolarHBondContact CB-OE2 3.44Å; T149-E152 WeakPolarHBondContact CG2-OE2 3.44Å; T149-E152 PolarHBondContact N-OE2 2.93Å; T149-E152 PolarHBondContact O-N 3.14Å; T149-E152 PolarHBondContact OG1-N 3.3Å; T149-E152 PolarHBondContact OG1-OE2 3.03Å; T149-R153 WeakPolarHBondContact O-CB 3.4Å; T149-R153 VanDerWaalsContact O-CG 3.26Å; T149-R153 WeakPolarHBondContact O-CG 3.45Å; T149-R153 PolarHBondContact O-N 3.34Å; T149-Y400 HydrophobicContact CG2-CE2 4.09Å; T149-Y446 HydrophobicContact CG2-CE2 4.28Å; T149-L452 HydrophobicContact CG2-CD1 3.7Å; T149-Y454 HydrophobicContact CG2-CD2 4.3Å; T149-Y454 HydrophobicContact CG2-CG 4.17Å | ||
| 150 | D | 95.6 | Very high | 96.9 | Very high | 6 Ų | 6 | 5.8 Ų | 5.8 | 3% | 0.032 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -59.7 | -41.8 | 177.4 | -167.8 | -89 | 0 | 0 | 0 | 112.1 | R153 R154 Y446 I459 V489 F490 | D150-R153 PolarHBondContact O-N 3.39Å; D150-R154 WeakPolarHBondContact O-CG 3.46Å; D150-R154 PolarHBondContact O-N 3.44Å; D150-R154 IonicContact OD1-CZ 3.39Å; D150-R154 IonicContact OD1-NE 2.8Å; D150-R154 PolarHBondContact OD1-NE 3.36Å; D150-R154 IonicContact OD1-NH2 3.49Å; D150-R154 PolarHBondContact OD1-NH2 2.92Å; D150-R154 IonicContact OD2-NH2 2.83Å; D150-R154 PolarHBondContact OD2-NH2 3.38Å; D150-Y446 WeakPolarHBondContact CB-OH 3.38Å; D150-Y446 PolarHBondContact N-OH 3.34Å; D150-I459 HydrophobicContact CB-CG1 4.43Å; D150-I459 HydrophobicContact CB-CG2 3.78Å; D150-I459 VanDerWaalsContact CG-CG2 3.44Å; D150-I459 WeakPolarHBondContact OD1-CG2 3.38Å; D150-V489 VanDerWaalsContact OD2-CA 3.24Å; D150-V489 WeakPolarHBondContact OD2-CA 3.39Å; D150-V489 VanDerWaalsContact OD2-CB 3.24Å; D150-V489 WeakPolarHBondContact OD2-CB 3.47Å; D150-F490 PolarHBondContact OD2-N 3.1Å |
| 151 | A | 95.4 | Very high | 96.9 | Very high | 8 Ų | 8 | 10 Ų | 10 | 7% | 0.066 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -68.3 | -44.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | T149 R153 R154 S155 | T149-A151 VanDerWaalsContact C-N 3.33Å; T149-A151 PolarHBondContact O-N 3.19Å; A151-R153 VanDerWaalsContact C-N 3.31Å; A151-R153 PolarHBondContact O-N 3.37Å; A151-R154 PolarHBondContact O-N 3.46Å; A151-S155 WeakPolarHBondContact O-CB 3.49Å; A151-S155 PolarHBondContact O-N 3.16Å |
| 152 | E | 96.5 | Very high | 96.9 | Very high | 7 Ų | 7 | 10.2 Ų | 10.2 | 3% | 0.033 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -61.5 | -38.6 | 175.1 | -77.7 | 158.5 | 145.1 | 0 | 0 | 111.7 | H71 R73 Y148 T149 V156 | H71-E152 HydrophobicContact CB-CG 4.37Å; H71-E152 WeakPolarHBondContact O-CG 3.36Å; R73-E152 IonicContact CZ-OE1 3.15Å; R73-E152 VanDerWaalsContact CZ-OE1 3.28Å; R73-E152 IonicContact NE-OE1 2.75Å; R73-E152 PolarHBondContact NE-OE1 3.07Å; R73-E152 IonicContact NH2-OE1 3.64Å; R73-E152 PolarHBondContact NH2-OE1 3.38Å; Y148-E152 HydrophobicContact CD1-CB 4.3Å; Y148-E152 HydrophobicContact CD2-CB 3.89Å; Y148-E152 HydrophobicContact CE2-CB 4.45Å; Y148-E152 HydrophobicContact CG-CB 3.81Å; T149-E152 WeakPolarHBondContact CB-OE2 3.44Å; T149-E152 WeakPolarHBondContact CG2-OE2 3.44Å; T149-E152 PolarHBondContact N-OE2 2.93Å; T149-E152 PolarHBondContact O-N 3.14Å; T149-E152 PolarHBondContact OG1-N 3.3Å; T149-E152 PolarHBondContact OG1-OE2 3.03Å; E152-V156 WeakPolarHBondContact O-CG2 3.47Å; E152-V156 PolarHBondContact O-N 3.26Å |
| 153 | R | 97.4 | Very high | 96.9 | Very high | 6 Ų | 6 | 10.5 Ų | 10.5 | 2% | 0.023 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -66.5 | -45 | 174.7 | -73.6 | 169.5 | -170.4 | -90.2 | -10.2 | 112.3 | P145 S146 Y148 T149 D150 A151 S155 V156 M157 L170 N172 H487 V489 | P145-R153 PolarHBondContact O-NH2 3.19Å; S146-R153 PolarHBondContact O-NH2 3.49Å; S146-R153 VanDerWaalsContact O-NH2 3.11Å; Y148-R153 PolarHBondContact O-NE 2.92Å; Y148-R153 PolarHBondContact O-NH2 3.11Å; T149-R153 WeakPolarHBondContact O-CB 3.4Å; T149-R153 VanDerWaalsContact O-CG 3.26Å; T149-R153 WeakPolarHBondContact O-CG 3.45Å; T149-R153 PolarHBondContact O-N 3.34Å; D150-R153 PolarHBondContact O-N 3.39Å; A151-R153 VanDerWaalsContact C-N 3.31Å; A151-R153 PolarHBondContact O-N 3.37Å; R153-S155 PolarHBondContact O-N 3.5Å; R153-V156 PolarHBondContact O-N 3.03Å; R153-M157 WeakPolarHBondContact O-CG 3.36Å; R153-M157 PolarHBondContact O-N 3.43Å; R153-L170 HydrophobicContact CB-CD1 3.85Å; R153-L170 HydrophobicContact CG-CD1 4.17Å; R153-L170 WeakPolarHBondContact O-CD1 3.48Å; R153-N172 PolarHBondContact NH1-OD1 3.01Å; R153-N172 PolarHBondContact NH2-OD1 3.23Å; R153-H487 WeakPolarHBondContact CD-O 3.38Å; R153-H487 PolarHBondContact NH1-O 3.37Å; R153-V489 HydrophobicContact CB-CG1 3.47Å; R153-V489 VanDerWaalsContact CB-CG1 3.47Å; R153-V489 HydrophobicContact CG-CG1 4.36Å |
| 154 | R | 96.9 | Very high | 96.9 | Very high | 24 Ų | 24 | 12.3 Ų | 12.3 | 9% | 0.091 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -60.7 | -44.7 | 175.7 | -73 | 177.2 | -154.9 | -78.7 | -12.1 | 111.7 | D150 A151 V156 M157 D158 F490 | D150-R154 WeakPolarHBondContact O-CG 3.46Å; D150-R154 PolarHBondContact O-N 3.44Å; D150-R154 IonicContact OD1-CZ 3.39Å; D150-R154 IonicContact OD1-NE 2.8Å; D150-R154 PolarHBondContact OD1-NE 3.36Å; D150-R154 IonicContact OD1-NH2 3.49Å; D150-R154 PolarHBondContact OD1-NH2 2.92Å; D150-R154 IonicContact OD2-NH2 2.83Å; D150-R154 PolarHBondContact OD2-NH2 3.38Å; A151-R154 PolarHBondContact O-N 3.46Å; R154-V156 PolarHBondContact O-N 2.81Å; R154-M157 CarbonylContact O-C 3.54Å; R154-M157 WeakPolarHBondContact O-CA 3.26Å; R154-M157 WeakPolarHBondContact O-CB 3.39Å; R154-M157 PolarHBondContact O-N 3.43Å; R154-D158 PolarHBondContact O-N 3.29Å; R154-F490 PolarHBondContact NH2-O 2.73Å |
| 155 | S | 97.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -55.5 | -34.9 | 175.3 | 179.4 | 0 | 0 | 0 | 0 | 112.9 | H71 G72 E115 A151 R153 A159 | H71-S155 PolarHBondContact ND1-OG 2.88Å; G72-S155 VanDerWaalsContact N-CB 3.33Å; G72-S155 PolarHBondContact N-OG 2.94Å; G72-S155 VanDerWaalsContact N-OG 3.08Å; E115-S155 WeakPolarHBondContact OE1-CB 3.32Å; E115-S155 PolarHBondContact OE1-OG 2.95Å; A151-S155 WeakPolarHBondContact O-CB 3.49Å; A151-S155 PolarHBondContact O-N 3.16Å; R153-S155 PolarHBondContact O-N 3.5Å; S155-A159 WeakPolarHBondContact O-CB 3.43Å; S155-A159 PolarHBondContact O-N 3.31Å; S155-A159 VanDerWaalsContact O-N 3.09Å |
| 156 | V | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -75.8 | -34.5 | 171.7 | -179.9 | 0 | 0 | 0 | 0 | 112.9 | L8 I142 V144 Y148 E152 R153 R154 A159 A160 L170 | L8-V156 HydrophobicContact CD2-CG1 4.26Å; I142-V156 HydrophobicContact CG2-CG1 3.99Å; V144-V156 HydrophobicContact CG1-CB 4.34Å; V144-V156 HydrophobicContact CG1-CG1 4.09Å; V144-V156 HydrophobicContact CG1-CG2 4.17Å; Y148-V156 HydrophobicContact CD2-CG2 4.38Å; Y148-V156 HydrophobicContact CE2-CG2 3.94Å; E152-V156 WeakPolarHBondContact O-CG2 3.47Å; E152-V156 PolarHBondContact O-N 3.26Å; R153-V156 PolarHBondContact O-N 3.03Å; R154-V156 PolarHBondContact O-N 2.81Å; V156-A159 PolarHBondContact O-N 3.01Å; V156-A160 PolarHBondContact O-N 3.42Å; V156-L170 HydrophobicContact CB-CD1 4.42Å; V156-L170 HydrophobicContact CB-CD2 4.42Å; V156-L170 HydrophobicContact CG1-CD2 3.77Å |
| 157 | M | 98 | Very high | 97.1 | Very high | 42 Ų | 42 | 16.9 Ų | 16.9 | 21% | 0.207 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -67.8 | -37.2 | 174 | -66.1 | -178.9 | 64.5 | 0 | 0 | 112.4 | R153 R154 A160 Q161 L170 H487 | R153-M157 WeakPolarHBondContact O-CG 3.36Å; R153-M157 PolarHBondContact O-N 3.43Å; R154-M157 CarbonylContact O-C 3.54Å; R154-M157 WeakPolarHBondContact O-CA 3.26Å; R154-M157 WeakPolarHBondContact O-CB 3.39Å; R154-M157 PolarHBondContact O-N 3.43Å; M157-A160 PolarHBondContact O-N 3Å; M157-Q161 WeakPolarHBondContact O-CG 3.43Å; M157-Q161 PolarHBondContact O-N 2.91Å; M157-Q161 VanDerWaalsContact O-N 3.14Å; M157-Q161 PolarHBondContact O-NE2 3.29Å; M157-Q161 VanDerWaalsContact O-NE2 3.1Å; M157-L170 HydrophobicContact CG-CD1 3.68Å; M157-L170 HydrophobicContact CG-CG 4Å; M157-L170 HydrophobicContact SD-CD1 4.32Å; M157-H487 HydrophobicContact SD-CB 4.01Å |
| 158 | D | 98 | Very high | 97.2 | Very high | 2 Ų | 2 | 18 Ų | 18 | 1% | 0.011 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -69 | -42.3 | 175.7 | -66.3 | -15.3 | 0 | 0 | 0 | 109.8 | E115 R154 A160 Q161 I162 L588 L593 | E115-D158 HydrophobicContact CG-CB 4.29Å; R154-D158 PolarHBondContact O-N 3.29Å; D158-A160 VanDerWaalsContact C-N 3.31Å; D158-A160 PolarHBondContact O-N 3.09Å; D158-Q161 PolarHBondContact O-N 3.38Å; D158-Q161 VanDerWaalsContact O-N 3.16Å; D158-Q161 PolarHBondContact OD1-NE2 2.83Å; D158-I162 WeakPolarHBondContact O-CG1 3.33Å; D158-I162 PolarHBondContact O-N 3.07Å; D158-L588 HydrophobicContact CB-CD1 4.26Å; D158-L588 PolarHBondContact OD2-N 2.89Å; D158-L593 HydrophobicContact CB-CD1 4.07Å |
| 159 | A | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -58.5 | -37.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | E115 T118 G119 L122 S155 V156 I162 A163 | E115-A159 HydrophobicContact CB-CB 4.43Å; E115-A159 VanDerWaalsContact O-CB 3.3Å; E115-A159 WeakPolarHBondContact O-CB 3.48Å; T118-A159 HydrophobicContact CG2-CB 3.68Å; G119-A159 WeakPolarHBondContact CA-O 3.31Å; L122-A159 HydrophobicContact CD1-CB 4.16Å; S155-A159 WeakPolarHBondContact O-CB 3.43Å; S155-A159 PolarHBondContact O-N 3.31Å; S155-A159 VanDerWaalsContact O-N 3.09Å; V156-A159 PolarHBondContact O-N 3.01Å; A159-I162 PolarHBondContact O-N 2.65Å; A159-A163 PolarHBondContact O-N 2.97Å |
| 160 | A | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -66.6 | -40.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L122 I142 V156 M157 D158 A163 G164 L165 C167 | L122-A160 HydrophobicContact CD1-CB 4.29Å; I142-A160 HydrophobicContact CD1-CB 3.73Å; V156-A160 PolarHBondContact O-N 3.42Å; M157-A160 PolarHBondContact O-N 3Å; D158-A160 VanDerWaalsContact C-N 3.31Å; D158-A160 PolarHBondContact O-N 3.09Å; A160-A163 PolarHBondContact O-N 3.24Å; A160-G164 PolarHBondContact O-N 3.17Å; A160-L165 CarbonylContact C-O 3.53Å; A160-L165 HydrophobicContact CB-CB 4.42Å; A160-L165 WeakPolarHBondContact O-CB 3.36Å; A160-L165 PolarHBondContact O-N 3.29Å; A160-C167 HydrophobicContact CB-CB 4.05Å |
| 161 | Q | 98.1 | Very high | 97.5 | Very high | 89 Ų | 89 | 18.2 Ų | 18.2 | 42% | 0.416 | 10% | 0.102 | S | C | . | . | H | α-helix | trans | -63.2 | -41.3 | 174.5 | -71.8 | 167.2 | 96.7 | 0 | 0 | 111.5 | M157 D158 A163 G164 L593 | M157-Q161 WeakPolarHBondContact O-CG 3.43Å; M157-Q161 PolarHBondContact O-N 2.91Å; M157-Q161 VanDerWaalsContact O-N 3.14Å; M157-Q161 PolarHBondContact O-NE2 3.29Å; M157-Q161 VanDerWaalsContact O-NE2 3.1Å; D158-Q161 PolarHBondContact O-N 3.38Å; D158-Q161 VanDerWaalsContact O-N 3.16Å; D158-Q161 PolarHBondContact OD1-NE2 2.83Å; Q161-A163 VanDerWaalsContact C-N 3.31Å; Q161-A163 PolarHBondContact O-N 3.37Å; Q161-G164 WeakPolarHBondContact O-CA 3.29Å; Q161-G164 PolarHBondContact O-N 3.07Å; Q161-L593 HydrophobicContact CB-CD1 4.32Å; Q161-L593 HydrophobicContact CB-CD2 4.33Å |
| 162 | I | 98.6 | Very high | 97.6 | Very high | 5 Ų | 5 | 18.2 Ų | 18.2 | 3% | 0.026 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -56.3 | -43.1 | 174.7 | -66.3 | 166.8 | 0 | 0 | 0 | 111.6 | E115 Q116 D158 A159 G164 L593 F596 E600 | E115-I162 HydrophobicContact CB-CD1 3.88Å; Q116-I162 HydrophobicContact CG-CD1 4.26Å; D158-I162 WeakPolarHBondContact O-CG1 3.33Å; D158-I162 PolarHBondContact O-N 3.07Å; A159-I162 PolarHBondContact O-N 2.65Å; I162-G164 PolarHBondContact O-N 2.59Å; I162-L593 HydrophobicContact CD1-CD1 4.16Å; I162-L593 HydrophobicContact CG1-CD1 3.71Å; I162-F596 HydrophobicContact CD1-CB 3.8Å; I162-F596 HydrophobicContact CD1-CD2 3.9Å; I162-F596 HydrophobicContact CD1-CG 4.37Å; I162-F596 HydrophobicContact CG1-CB 3.86Å; I162-E600 HydrophobicContact CG2-CB 3.75Å; I162-E600 HydrophobicContact CG2-CG 4.04Å; I162-E600 WeakPolarHBondContact O-CG 3.15Å |
| 163 | A | 98.2 | Very high | 97.6 | Very high | 5 Ų | 5 | 18.5 Ų | 18.5 | 4% | 0.041 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | 0.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | L122 K126 A159 A160 Q161 L165 | L122-A163 HydrophobicContact CB-CB 3.67Å; K126-A163 PolarHBondContact NZ-O 3.43Å; A159-A163 PolarHBondContact O-N 2.97Å; A160-A163 PolarHBondContact O-N 3.24Å; Q161-A163 VanDerWaalsContact C-N 3.31Å; Q161-A163 PolarHBondContact O-N 3.37Å; A163-L165 HydrophobicContact CB-CD1 4.03Å; A163-L165 HydrophobicContact CB-CG 4.27Å |
| 164 | G | 97 | Very high | 97.5 | Very high | 38 Ų | 38 | 18.3 Ų | 18.3 | 39% | 0.392 | 10% | 0.101 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.8 | 45.2 | -172.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | K126 A160 Q161 I162 | K126-G164 PolarHBondContact NZ-O 3.2Å; A160-G164 PolarHBondContact O-N 3.17Å; Q161-G164 WeakPolarHBondContact O-CA 3.29Å; Q161-G164 PolarHBondContact O-N 3.07Å; I162-G164 PolarHBondContact O-N 2.59Å |
| 165 | L | 97.9 | Very high | 97.6 | Very high | 6 Ų | 6 | 17.2 Ų | 17.2 | 3% | 0.031 | 10% | 0.097 | C | C | . | . | trans | -117.1 | 129.5 | 176.7 | -70.9 | 167.7 | 0 | 0 | 0 | 111.1 | F6 L122 K126 V137 V138 A160 A163 C167 | F6-L165 HydrophobicContact CD2-CD1 4.49Å; F6-L165 HydrophobicContact CE2-CD1 3.76Å; F6-L165 HydrophobicContact CE2-CD2 4.25Å; F6-L165 HydrophobicContact CZ-CD1 4.48Å; L122-L165 HydrophobicContact CB-CD1 4.11Å; K126-L165 HydrophobicContact CB-CD1 4.47Å; K126-L165 HydrophobicContact CB-CD2 4.32Å; K126-L165 HydrophobicContact CD-CD2 3.83Å; K126-L165 HydrophobicContact CD-CG 4.08Å; K126-L165 HydrophobicContact CG-CD2 4.17Å; V137-L165 HydrophobicContact CG1-CD2 3.97Å; V138-L165 CarbonylContact O-C 3.38Å; V138-L165 WeakPolarHBondContact O-CA 3.44Å; A160-L165 CarbonylContact C-O 3.53Å; A160-L165 HydrophobicContact CB-CB 4.42Å; A160-L165 WeakPolarHBondContact O-CB 3.36Å; A160-L165 PolarHBondContact O-N 3.29Å; A163-L165 HydrophobicContact CB-CD1 4.03Å; A163-L165 HydrophobicContact CB-CG 4.27Å; L165-C167 PolarHBondContact O-N 2.53Å | ||
| 166 | N | 96.5 | Very high | 97.6 | Very high | 80 Ų | 80 | 17.2 Ų | 17.2 | 43% | 0.428 | 10% | 0.097 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 98.7 | 167.1 | -179.6 | 28.6 | 0 | 0 | 0 | 109.4 | V138 D139 C140 L168 | V138-N166 HydrophobicContact CG1-CB 4.2Å; V138-N166 PolarHBondContact O-N 3.08Å; D139-N166 WeakPolarHBondContact CA-O 3.47Å; D139-N166 PolarHBondContact OD1-ND2 3.37Å; C140-N166 PolarHBondContact N-O 3.31Å; N166-L168 WeakPolarHBondContact ND2-CD2 3.47Å; N166-L168 PolarHBondContact O-N 2.66Å; N166-L168 VanDerWaalsContact O-N 3.08Å |
| 167 | C | 97.2 | Very high | 97.5 | Very high | 14 Ų | 14 | 17.2 Ų | 17.2 | 10% | 0.095 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 98.6 | 175.2 | -174.6 | 0 | 0 | 0 | 0 | 110.1 | I142 A160 L165 R169 L170 H487 | I142-C167 HydrophobicContact CD1-CB 4.39Å; A160-C167 HydrophobicContact CB-CB 4.05Å; L165-C167 PolarHBondContact O-N 2.53Å; C167-R169 VanDerWaalsContact C-N 3.26Å; C167-R169 PolarHBondContact O-N 3.06Å; C167-R169 VanDerWaalsContact SG-C 3.54Å; C167-R169 PolarHBondContact SG-O 3.1Å; C167-R169 VanDerWaalsContact SG-O 3.38Å; C167-L170 VanDerWaalsContact SG-CD2 3.6Å; C167-H487 PolarHBondContact O-CE1 2.61Å |
| 168 | L | 96.9 | Very high | 97.5 | Very high | 39 Ų | 39 | 15.2 Ų | 15.2 | 20% | 0.204 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | -31 | 178.8 | -62.3 | -178.1 | 0 | 0 | 0 | 112.5 | D139 C140 V141 N166 L383 | D139-L168 HydrophobicContact CB-CD1 3.96Å; D139-L168 HydrophobicContact CB-CD2 4.32Å; D139-L168 HydrophobicContact CB-CG 4.06Å; C140-L168 PolarHBondContact O-N 2.99Å; V141-L168 HydrophobicContact CG2-CB 4.34Å; N166-L168 WeakPolarHBondContact ND2-CD2 3.47Å; N166-L168 PolarHBondContact O-N 2.66Å; N166-L168 VanDerWaalsContact O-N 3.08Å; L168-L383 HydrophobicContact CB-CD1 3.91Å; L168-L383 HydrophobicContact CD1-CB 3.99Å |
| 169 | R | 97.4 | Very high | 97.5 | Very high | 17 Ų | 17 | 15.1 Ų | 15.1 | 6% | 0.064 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159 | 136.7 | 176.2 | -177.7 | 163.5 | -175.5 | -163.9 | -3.1 | 110.2 | V141 I142 C167 L383 D396 V486 | V141-R169 WeakPolarHBondContact CA-O 3.44Å; V141-R169 HydrophobicContact CG1-CB 4.4Å; V141-R169 WeakPolarHBondContact CG1-O 3.48Å; V141-R169 HydrophobicContact CG2-CB 4.18Å; I142-R169 PolarHBondContact N-O 2.81Å; C167-R169 VanDerWaalsContact C-N 3.26Å; C167-R169 PolarHBondContact O-N 3.06Å; C167-R169 VanDerWaalsContact SG-C 3.54Å; C167-R169 PolarHBondContact SG-O 3.1Å; C167-R169 VanDerWaalsContact SG-O 3.38Å; R169-L383 HydrophobicContact CB-CD1 3.96Å; R169-D396 IonicContact NH2-OD2 3.17Å; R169-D396 PolarHBondContact NH2-OD2 2.73Å; R169-V486 WeakPolarHBondContact CG-O 3.38Å; R169-V486 PolarHBondContact NE-O 2.66Å |
| 170 | L | 97.8 | Very high | 97.3 | Very high | 1 Ų | 1 | 15.4 Ų | 15.4 | 1% | 0.005 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 128.2 | 154.5 | -66.6 | -175.5 | 0 | 0 | 0 | 108.1 | I142 V144 R153 V156 M157 C167 H487 | I142-L170 HydrophobicContact CB-CD2 3.97Å; I142-L170 HydrophobicContact CG2-CD2 4.26Å; I142-L170 WeakPolarHBondContact O-CA 3.4Å; V144-L170 HydrophobicContact CG1-CD1 4.28Å; V144-L170 HydrophobicContact CG1-CD2 4.18Å; V144-L170 HydrophobicContact CG2-CB 4.2Å; R153-L170 HydrophobicContact CB-CD1 3.85Å; R153-L170 HydrophobicContact CG-CD1 4.17Å; R153-L170 WeakPolarHBondContact O-CD1 3.48Å; V156-L170 HydrophobicContact CB-CD1 4.42Å; V156-L170 HydrophobicContact CB-CD2 4.42Å; V156-L170 HydrophobicContact CG1-CD2 3.77Å; M157-L170 HydrophobicContact CG-CD1 3.68Å; M157-L170 HydrophobicContact CG-CG 4Å; M157-L170 HydrophobicContact SD-CD1 4.32Å; C167-L170 VanDerWaalsContact SG-CD2 3.6Å; L170-H487 HydrophobicContact CB-CB 3.97Å; L170-H487 HydrophobicContact CD1-CB 4.4Å; L170-H487 HydrophobicContact CG-CB 4.2Å; L170-H487 PolarHBondContact N-ND1 3.12Å |
| 171 | M | 96.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 131.2 | -174.3 | -164 | 170.6 | -165.3 | 0 | 0 | 110.3 | V141 I142 S143 V144 E173 T175 A176 L179 Q379 I394 | V141-M171 HydrophobicContact CG1-CB 3.89Å; V141-M171 HydrophobicContact CG1-SD 4.32Å; I142-M171 PolarHBondContact O-N 2.92Å; S143-M171 WeakPolarHBondContact CA-O 3.44Å; V144-M171 PolarHBondContact N-O 2.79Å; M171-E173 PolarHBondContact O-N 3.45Å; M171-T175 HydrophobicContact CE-CG2 4.08Å; M171-A176 HydrophobicContact CE-CB 4.33Å; M171-A176 HydrophobicContact CG-CB 4.08Å; M171-A176 HydrophobicContact SD-CB 3.74Å; M171-L179 HydrophobicContact CE-CB 4.08Å; M171-L179 HydrophobicContact CE-CD2 3.85Å; M171-Q379 HydrophobicContact CE-CB 4Å; M171-Q379 HydrophobicContact CE-CG 4.2Å; M171-Q379 HydrophobicContact SD-CB 3.56Å; M171-Q379 VanDerWaalsContact SD-CB 3.56Å; M171-Q379 HydrophobicContact SD-CG 3.8Å; M171-I394 HydrophobicContact CE-CD1 4.49Å |
| 172 | N | 97.7 | Very high | 97.1 | Very high | 8 Ų | 8 | 11.4 Ų | 11.4 | 4% | 0.043 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 127.5 | 173.5 | -68.2 | -23.6 | 0 | 0 | 0 | 109.2 | V144 R153 T174 T175 A176 D396 | V144-N172 CarbonylContact O-C 3.43Å; V144-N172 WeakPolarHBondContact O-CA 3.46Å; R153-N172 PolarHBondContact NH1-OD1 3.01Å; R153-N172 PolarHBondContact NH2-OD1 3.23Å; N172-T174 VanDerWaalsContact C-N 3.33Å; N172-T174 PolarHBondContact O-N 3.29Å; N172-T175 CarbonylContact O-C 3.54Å; N172-T175 WeakPolarHBondContact O-CA 3.45Å; N172-T175 WeakPolarHBondContact O-CB 3.39Å; N172-T175 PolarHBondContact O-N 2.85Å; N172-A176 PolarHBondContact O-N 3.39Å; N172-D396 PolarHBondContact ND2-OD1 3.45Å; N172-D396 PolarHBondContact ND2-OD2 3.16Å |
| 173 | E | 96.6 | Very high | 96.7 | Very high | 13 Ų | 13 | 11.8 Ų | 11.8 | 6% | 0.061 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -48 | -51.2 | -176 | -75.8 | 155.2 | -176.9 | 0 | 0 | 112.1 | V144 P145 M171 T175 A176 V177 Q209 V372 | V144-E173 VanDerWaalsContact C-CD 3.47Å; V144-E173 WeakPolarHBondContact O-CG 3.46Å; V144-E173 PolarHBondContact O-N 2.81Å; P145-E173 VanDerWaalsContact CA-OE2 3.28Å; P145-E173 WeakPolarHBondContact CA-OE2 3.49Å; P145-E173 WeakPolarHBondContact CD-OE1 3.44Å; P145-E173 WeakPolarHBondContact CG-OE1 3.43Å; M171-E173 PolarHBondContact O-N 3.45Å; E173-T175 VanDerWaalsContact C-N 3.29Å; E173-T175 PolarHBondContact O-N 2.93Å; E173-A176 WeakPolarHBondContact O-CB 3.43Å; E173-A176 PolarHBondContact O-N 3Å; E173-A176 VanDerWaalsContact O-N 3.16Å; E173-V177 WeakPolarHBondContact O-CG2 3.15Å; E173-V177 PolarHBondContact O-N 3.16Å; E173-Q209 PolarHBondContact OE2-NE2 2.92Å; E173-V372 HydrophobicContact CB-CG1 4.32Å; E173-V372 HydrophobicContact CB-CG2 4.45Å; E173-V372 HydrophobicContact CG-CG1 4.11Å |
| 174 | T | 95.8 | Very high | 96.4 | Very high | 2 Ų | 2 | 17.3 Ų | 17.3 | 1% | 0.012 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -62.4 | -29.1 | 176.1 | 54.2 | 0 | 0 | 0 | 0 | 114.3 | N172 S178 D202 Q209 S211 | N172-T174 VanDerWaalsContact C-N 3.33Å; N172-T174 PolarHBondContact O-N 3.29Å; T174-S178 WeakPolarHBondContact O-CB 3.48Å; T174-S178 PolarHBondContact O-N 2.76Å; T174-S178 PolarHBondContact O-OG 3.43Å; T174-D202 HydrophobicContact CG2-CB 4.26Å; T174-Q209 HydrophobicContact CG2-CB 3.71Å; T174-S211 WeakPolarHBondContact CB-OG 3.48Å |
| 175 | T | 97.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -79.4 | -31.9 | 176 | -59.9 | 0 | 0 | 0 | 0 | 111.8 | M171 N172 E173 S178 L179 I222 I394 | M171-T175 HydrophobicContact CE-CG2 4.08Å; N172-T175 CarbonylContact O-C 3.54Å; N172-T175 WeakPolarHBondContact O-CA 3.45Å; N172-T175 WeakPolarHBondContact O-CB 3.39Å; N172-T175 PolarHBondContact O-N 2.85Å; E173-T175 VanDerWaalsContact C-N 3.29Å; E173-T175 PolarHBondContact O-N 2.93Å; T175-S178 PolarHBondContact O-N 3.48Å; T175-L179 PolarHBondContact O-N 3.17Å; T175-I222 HydrophobicContact CG2-CD1 4.17Å; T175-I222 HydrophobicContact CG2-CG1 4.28Å; T175-I222 WeakPolarHBondContact OG1-CD1 3.07Å; T175-I394 HydrophobicContact CG2-CG2 3.94Å |
| 176 | A | 97.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -63.7 | -46.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | M171 N172 E173 S178 L179 A180 V372 G375 | M171-A176 HydrophobicContact CE-CB 4.33Å; M171-A176 HydrophobicContact CG-CB 4.08Å; M171-A176 HydrophobicContact SD-CB 3.74Å; N172-A176 PolarHBondContact O-N 3.39Å; E173-A176 WeakPolarHBondContact O-CB 3.43Å; E173-A176 PolarHBondContact O-N 3Å; E173-A176 VanDerWaalsContact O-N 3.16Å; A176-S178 VanDerWaalsContact C-N 3.33Å; A176-S178 PolarHBondContact O-N 3.49Å; A176-L179 PolarHBondContact O-N 3.39Å; A176-A180 PolarHBondContact O-N 2.76Å; A176-V372 HydrophobicContact CB-CG1 4.18Å; A176-V372 WeakPolarHBondContact CB-O 3.39Å; A176-G375 VanDerWaalsContact O-CA 3.25Å; A176-G375 WeakPolarHBondContact O-CA 3.48Å |
| 177 | V | 97.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -57.9 | -44.7 | 172.5 | 175 | 0 | 0 | 0 | 0 | 111.1 | E173 L179 A180 Y181 F200 V341 L366 A371 V372 | E173-V177 WeakPolarHBondContact O-CG2 3.15Å; E173-V177 PolarHBondContact O-N 3.16Å; V177-L179 VanDerWaalsContact C-N 3.35Å; V177-L179 PolarHBondContact O-N 3.07Å; V177-A180 PolarHBondContact O-N 2.76Å; V177-Y181 PolarHBondContact O-N 3.28Å; V177-F200 HydrophobicContact CG1-CD1 3.63Å; V177-F200 HydrophobicContact CG1-CE1 4.12Å; V177-F200 HydrophobicContact CG1-CG 4.27Å; V177-V341 HydrophobicContact CG1-CG1 3.8Å; V177-V341 HydrophobicContact CG1-CG2 4.11Å; V177-V341 HydrophobicContact CG2-CG2 4.16Å; V177-L366 HydrophobicContact CG1-CD1 3.49Å; V177-L366 VanDerWaalsContact CG1-CD1 3.49Å; V177-A371 HydrophobicContact CG1-CB 4.34Å; V177-A371 HydrophobicContact CG2-CB 3.99Å; V177-V372 HydrophobicContact CG2-CB 4.47Å; V177-V372 HydrophobicContact CG2-CG2 3.59Å |
| 178 | S | 97.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -62 | -37.7 | 177 | -60.9 | 0 | 0 | 0 | 0 | 113.2 | T174 T175 A176 G182 F200 C213 F215 | T174-S178 WeakPolarHBondContact O-CB 3.48Å; T174-S178 PolarHBondContact O-N 2.76Å; T174-S178 PolarHBondContact O-OG 3.43Å; T175-S178 PolarHBondContact O-N 3.48Å; A176-S178 VanDerWaalsContact C-N 3.33Å; A176-S178 PolarHBondContact O-N 3.49Å; S178-G182 PolarHBondContact O-N 2.96Å; S178-F200 WeakPolarHBondContact OG-CD2 3.34Å; S178-F200 VanDerWaalsContact OG-CE2 3.26Å; S178-F200 WeakPolarHBondContact OG-CE2 3.44Å; S178-C213 PolarHBondContact OG-SG 3.25Å; S178-F215 VanDerWaalsContact O-CE1 3.31Å; S178-F215 WeakPolarHBondContact O-CE1 3.43Å; S178-F215 WeakPolarHBondContact O-CZ 3.5Å |
| 179 | L | 96.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -67.3 | -46.2 | 173.2 | 174.7 | 59.8 | 0 | 0 | 0 | 111.5 | M171 T175 A176 V177 Y181 G182 I183 L378 Q379 I382 F392 I394 | M171-L179 HydrophobicContact CE-CB 4.08Å; M171-L179 HydrophobicContact CE-CD2 3.85Å; T175-L179 PolarHBondContact O-N 3.17Å; A176-L179 PolarHBondContact O-N 3.39Å; V177-L179 VanDerWaalsContact C-N 3.35Å; V177-L179 PolarHBondContact O-N 3.07Å; L179-Y181 PolarHBondContact O-N 3.04Å; L179-G182 PolarHBondContact O-N 2.9Å; L179-I183 HydrophobicContact CD1-CB 4.28Å; L179-I183 HydrophobicContact CD1-CD1 4.48Å; L179-I183 WeakPolarHBondContact O-CG2 3.36Å; L179-I183 PolarHBondContact O-N 3.34Å; L179-I183 VanDerWaalsContact O-N 3.13Å; L179-L378 HydrophobicContact CD2-CB 3.76Å; L179-L378 HydrophobicContact CG-CB 4.13Å; L179-L378 HydrophobicContact CG-CD1 4.39Å; L179-Q379 HydrophobicContact CD2-CB 3.92Å; L179-I382 HydrophobicContact CD1-CD1 4.17Å; L179-I382 HydrophobicContact CD2-CD1 4.09Å; L179-F392 HydrophobicContact CD1-CD1 3.34Å; L179-F392 HydrophobicContact CD1-CE1 3.63Å; L179-F392 HydrophobicContact CD1-CG 4.16Å; L179-I394 HydrophobicContact CD1-CD1 3.84Å; L179-I394 HydrophobicContact CD1-CG1 4.28Å; L179-I394 HydrophobicContact CD2-CD1 3.77Å; L179-I394 HydrophobicContact CG-CD1 4.27Å |
| 180 | A | 95.6 | Very high | 95.6 | Very high | 7 Ų | 7 | 24.7 Ų | 24.7 | 6% | 0.058 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -60 | -30 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | A176 V177 Y184 L378 | A176-A180 PolarHBondContact O-N 2.76Å; V177-A180 PolarHBondContact O-N 2.76Å; A180-Y184 VanDerWaalsContact O-CD2 3.27Å; A180-Y184 WeakPolarHBondContact O-CD2 3.31Å; A180-L378 HydrophobicContact CB-CD1 4.29Å |
| 181 | Y | 96.1 | Very high | 95.4 | Very high | 5 Ų | 5 | 27.6 Ų | 27.6 | 2% | 0.02 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -71 | -60.8 | 167.4 | -172.7 | -97.1 | 0 | 0 | 0 | 112.4 | V177 L179 I183 K185 V198 F200 F215 E339 T365 L366 | V177-Y181 PolarHBondContact O-N 3.28Å; L179-Y181 PolarHBondContact O-N 3.04Å; Y181-I183 PolarHBondContact O-N 2.74Å; Y181-K185 HydrophobicContact CD1-CG 4.2Å; Y181-K185 HydrophobicContact CE1-CG 4.01Å; Y181-K185 WeakPolarHBondContact O-CG 3.13Å; Y181-V198 HydrophobicContact CE1-CG2 3.98Å; Y181-F200 AromaticContact CD1-CZ 3.93Å; Y181-F200 HydrophobicContact CD1-CZ 3.93Å; Y181-F200 HydrophobicContact CD2-CE1 4.09Å; Y181-F200 HydrophobicContact CD2-CZ 4.17Å; Y181-F200 AromaticContact CG-CE1 3.99Å; Y181-F200 HydrophobicContact CG-CE1 3.99Å; Y181-F200 AromaticContact CG-CZ 3.67Å; Y181-F200 HydrophobicContact CG-CZ 3.67Å; Y181-F215 HydrophobicContact CD1-CE1 4.2Å; Y181-F215 HydrophobicContact CD1-CE2 4.02Å; Y181-F215 AromaticContact CD1-CZ 3.8Å; Y181-F215 HydrophobicContact CD1-CZ 3.8Å; Y181-F215 HydrophobicContact CE1-CE2 4.36Å; Y181-E339 HydrophobicContact CD2-CG 4.16Å; Y181-E339 VanDerWaalsContact CE2-CD 3.47Å; Y181-E339 HydrophobicContact CE2-CG 3.77Å; Y181-E339 WeakPolarHBondContact CE2-OE1 3.35Å; Y181-T365 WeakPolarHBondContact CE2-OG1 3.5Å; Y181-L366 HydrophobicContact CD2-CD1 4.48Å; Y181-L366 HydrophobicContact CD2-CD2 4.36Å; Y181-L366 HydrophobicContact CD2-CG 4.38Å |
| 182 | G | 95 | Very high | 95.1 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -66.3 | -35.5 | -163.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | S178 L179 Y184 L188 F215 | S178-G182 PolarHBondContact O-N 2.96Å; L179-G182 PolarHBondContact O-N 2.9Å; G182-Y184 VanDerWaalsContact C-N 3.33Å; G182-Y184 PolarHBondContact O-N 2.95Å; G182-L188 WeakPolarHBondContact O-CD1 3.33Å; G182-F215 VanDerWaalsContact CA-CE1 3.49Å |
| 183 | I | 91.4 | Very high | 95 | Very high | 13 Ų | 13 | 41.4 Ų | 41.4 | 7% | 0.067 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -28.9 | -171.8 | -158.3 | 166.6 | 0 | 0 | 0 | 113.3 | L179 Y181 L378 R390 F392 | L179-I183 HydrophobicContact CD1-CB 4.28Å; L179-I183 HydrophobicContact CD1-CD1 4.48Å; L179-I183 WeakPolarHBondContact O-CG2 3.36Å; L179-I183 PolarHBondContact O-N 3.34Å; L179-I183 VanDerWaalsContact O-N 3.13Å; Y181-I183 PolarHBondContact O-N 2.74Å; I183-L378 HydrophobicContact CD1-CD2 4.38Å; I183-L378 HydrophobicContact CG2-CD1 3.75Å; I183-L378 HydrophobicContact CG2-CD2 4.06Å; I183-R390 HydrophobicContact CG1-CB 4.44Å; I183-R390 PolarHBondContact O-NH1 3.01Å; I183-F392 HydrophobicContact CB-CD2 4.19Å; I183-F392 HydrophobicContact CB-CE2 4.48Å; I183-F392 HydrophobicContact CB-CG 4.36Å; I183-F392 HydrophobicContact CD1-CB 3.99Å; I183-F392 HydrophobicContact CD1-CG 4.39Å; I183-F392 HydrophobicContact CG1-CB 4.17Å; I183-F392 HydrophobicContact CG1-CD2 4.08Å; I183-F392 HydrophobicContact CG1-CG 4.17Å |
| 184 | Y | 91.2 | Very high | 95 | Very high | 120 Ų | 120 | 50 Ų | 50 | 47% | 0.471 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -20 | -179.6 | -62.5 | -57.4 | 0 | 0 | 0 | 113.8 | A180 G182 Q186 L378 | A180-Y184 VanDerWaalsContact O-CD2 3.27Å; A180-Y184 WeakPolarHBondContact O-CD2 3.31Å; G182-Y184 VanDerWaalsContact C-N 3.33Å; G182-Y184 PolarHBondContact O-N 2.95Å; Y184-Q186 PolarHBondContact O-N 3.22Å; Y184-L378 HydrophobicContact CE2-CD1 4.08Å |
| 185 | K | 92.6 | Very high | 95 | Very high | 54 Ų | 54 | 52.4 Ų | 52.4 | 24% | 0.235 | 26% | 0.26 | C | S | . | . | trans | -67.3 | 132.8 | 172.9 | -64 | -64.1 | -176.9 | -175.5 | 0 | 109.9 | Y181 L188 R390 | Y181-K185 HydrophobicContact CD1-CG 4.2Å; Y181-K185 HydrophobicContact CE1-CG 4.01Å; Y181-K185 WeakPolarHBondContact O-CG 3.13Å; K185-L188 HydrophobicContact CB-CD1 4.14Å; K185-L188 HydrophobicContact CB-CD2 3.83Å; K185-L188 HydrophobicContact CB-CG 3.71Å; K185-L188 HydrophobicContact CG-CD2 4.38Å; K185-R390 PolarHBondContact O-NH1 2.74Å | ||
| 186 | Q | 91.1 | Very high | 95.1 | Very high | 133 Ų | 133 | 54 Ų | 54 | 62% | 0.621 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -104.7 | -20.1 | -179.9 | -56.3 | -58.4 | -9.9 | 0 | 0 | 112.6 | Y184 L188 R390 | Y184-Q186 PolarHBondContact O-N 3.22Å; Q186-L188 VanDerWaalsContact C-N 3.34Å; Q186-R390 VanDerWaalsContact OE1-CZ 3.29Å |
| 187 | D | 94.4 | Very high | 95.1 | Very high | 87 Ų | 87 | 54.8 Ų | 54.8 | 47% | 0.465 | 27% | 0.27 | S | S | . | . | trans | -92.7 | 18.1 | -176.8 | 65.8 | -53.1 | 0 | 0 | 0 | 113.2 | R196 | D187-R196 PolarHBondContact O-NH2 2.9Å; D187-R196 IonicContact OD1-NH1 3.94Å; D187-R196 IonicContact OD2-CZ 3.61Å; D187-R196 IonicContact OD2-NH1 2.67Å; D187-R196 PolarHBondContact OD2-NH1 3.48Å; D187-R196 IonicContact OD2-NH2 2.64Å; D187-R196 PolarHBondContact OD2-NH2 3.31Å | ||
| 188 | L | 95.9 | Very high | 95.1 | Very high | 13 Ų | 13 | 54.8 Ų | 54.8 | 7% | 0.068 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -70.8 | 140.7 | 176.8 | -64 | -177.9 | 0 | 0 | 0 | 110.9 | G182 K185 Q186 F215 | G182-L188 WeakPolarHBondContact O-CD1 3.33Å; K185-L188 HydrophobicContact CB-CD1 4.14Å; K185-L188 HydrophobicContact CB-CD2 3.83Å; K185-L188 HydrophobicContact CB-CG 3.71Å; K185-L188 HydrophobicContact CG-CD2 4.38Å; Q186-L188 VanDerWaalsContact C-N 3.34Å; L188-F215 HydrophobicContact CD1-CB 4.24Å; L188-F215 HydrophobicContact CD1-CD1 4.37Å; L188-F215 HydrophobicContact CD2-CB 3.93Å |
| 189 | P | 96.9 | Very high | 95.2 | Very high | 22 Ų | 22 | 54.8 Ų | 54.8 | 14% | 0.143 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -53.6 | 150.4 | 177.8 | -26.1 | 34.6 | 0 | 0 | 0 | 113 | E193 R196 N216 K217 | P189-E193 VanDerWaalsContact CA-OE2 3.24Å; P189-E193 WeakPolarHBondContact CA-OE2 3.44Å; P189-E193 HydrophobicContact CB-CB 3.78Å; P189-E193 WeakPolarHBondContact CB-OE2 3.45Å; P189-R196 HydrophobicContact CG-CB 4.08Å; P189-N216 CarbonylContact O-C 3.59Å; P189-N216 VanDerWaalsContact O-CA 3.32Å; P189-N216 WeakPolarHBondContact O-CA 3.23Å; P189-N216 WeakPolarHBondContact O-CB 3.49Å; P189-K217 PolarHBondContact O-N 3.43Å |
| 190 | A | 95.6 | Very high | 95.3 | Very high | 40 Ų | 40 | 54.8 Ų | 54.8 | 33% | 0.331 | 27% | 0.27 | S | S | . | . | P | Polyproline II helix | trans | -58.3 | 158.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | E192 E193 N216 | A190-E192 PolarHBondContact O-N 2.94Å; A190-E192 VanDerWaalsContact O-N 3.12Å; A190-E193 HydrophobicContact CB-CB 4.48Å; A190-E193 HydrophobicContact CB-CG 3.99Å; A190-E193 PolarHBondContact N-OE2 2.84Å; A190-E193 PolarHBondContact O-N 2.93Å; A190-N216 PolarHBondContact O-ND2 3.26Å |
| 191 | P | 92.4 | Very high | 95.4 | Very high | 63 Ų | 63 | 54.5 Ų | 54.5 | 41% | 0.409 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -29.4 | -177.2 | -28.6 | 37.5 | 0 | 0 | 0 | 115.3 | ||
| 192 | E | 91.4 | Very high | 95.5 | Very high | 181 Ų | 181 | 54.8 Ų | 54.8 | 85% | 0.846 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | -7.3 | -179.9 | -41.6 | -45.7 | 139.8 | 0 | 0 | 113.6 | A190 | A190-E192 PolarHBondContact O-N 2.94Å; A190-E192 VanDerWaalsContact O-N 3.12Å |
| 193 | E | 95.9 | Very high | 95.6 | Very high | 116 Ų | 116 | 54.8 Ų | 54.8 | 54% | 0.542 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -82.9 | 162 | 175.8 | -71.8 | 175.8 | 160.6 | 0 | 0 | 111.3 | P189 A190 N216 | P189-E193 VanDerWaalsContact CA-OE2 3.24Å; P189-E193 WeakPolarHBondContact CA-OE2 3.44Å; P189-E193 HydrophobicContact CB-CB 3.78Å; P189-E193 WeakPolarHBondContact CB-OE2 3.45Å; A190-E193 HydrophobicContact CB-CB 4.48Å; A190-E193 HydrophobicContact CB-CG 3.99Å; A190-E193 PolarHBondContact N-OE2 2.84Å; A190-E193 PolarHBondContact O-N 2.93Å; E193-N216 PolarHBondContact O-ND2 2.84Å |
| 194 | K | 95.8 | Very high | 95.8 | Very high | 193 Ų | 193 | 55.2 Ų | 55.2 | 84% | 0.839 | 28% | 0.277 | S | S | * | . | P | Polyproline II helix | trans | -57.1 | 127 | 173.5 | -72.5 | -174.8 | 177.3 | -178.5 | 0 | 109.7 | ||
| 195 | P | 97.3 | Very high | 96 | Very high | 53 Ų | 53 | 51.4 Ų | 51.4 | 34% | 0.344 | 26% | 0.263 | S | S | . | . | P | Polyproline II helix | trans | -64.5 | 144.6 | -177.9 | 25.7 | -34.4 | 0 | 0 | 0 | 111.2 | I197 A214 F215 | P195-I197 HydrophobicContact CB-CD1 4.42Å; P195-I197 HydrophobicContact CG-CD1 4.14Å; P195-I197 PolarHBondContact O-N 2.91Å; P195-A214 HydrophobicContact CB-CB 3.8Å; P195-A214 HydrophobicContact CG-CB 4.1Å; P195-F215 CarbonylContact C-O 3.55Å; P195-F215 WeakPolarHBondContact CA-O 3.37Å |
| 196 | R | 97.9 | Very high | 96 | Very high | 34 Ų | 34 | 49.3 Ų | 49.3 | 13% | 0.128 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 117.4 | 169.9 | -177.3 | -178.6 | -72 | -173.9 | -0.8 | 108.7 | D187 P189 V198 F215 Y336 | D187-R196 PolarHBondContact O-NH2 2.9Å; D187-R196 IonicContact OD1-NH1 3.94Å; D187-R196 IonicContact OD2-CZ 3.61Å; D187-R196 IonicContact OD2-NH1 2.67Å; D187-R196 PolarHBondContact OD2-NH1 3.48Å; D187-R196 IonicContact OD2-NH2 2.64Å; D187-R196 PolarHBondContact OD2-NH2 3.31Å; P189-R196 HydrophobicContact CG-CB 4.08Å; R196-V198 HydrophobicContact CG-CG2 4.25Å; R196-F215 HydrophobicContact CB-CB 4.48Å; R196-F215 PolarHBondContact N-O 3.4Å; R196-F215 PolarHBondContact O-N 2.78Å; R196-Y336 HydrophobicContact CG-CD1 3.75Å; R196-Y336 HydrophobicContact CG-CD2 4.04Å; R196-Y336 HydrophobicContact CG-CE1 4.41Å; R196-Y336 HydrophobicContact CG-CG 3.55Å |
| 197 | I | 98.4 | Very high | 96.1 | Very high | 16 Ų | 16 | 43.1 Ų | 43.1 | 8% | 0.082 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 120.2 | 178.6 | -52.7 | -52.8 | 0 | 0 | 0 | 110.3 | P195 V212 C213 A214 L223 L330 Y336 | P195-I197 HydrophobicContact CB-CD1 4.42Å; P195-I197 HydrophobicContact CG-CD1 4.14Å; P195-I197 PolarHBondContact O-N 2.91Å; I197-V212 HydrophobicContact CG2-CG1 3.67Å; I197-C213 WeakPolarHBondContact CA-O 3.39Å; I197-A214 HydrophobicContact CD1-CB 3.87Å; I197-L223 HydrophobicContact CD1-CD1 3.98Å; I197-L330 HydrophobicContact CG1-CD1 4.37Å; I197-L330 HydrophobicContact CG2-CD1 3.95Å; I197-Y336 VanDerWaalsContact O-CB 3.25Å; I197-Y336 WeakPolarHBondContact O-CB 3.14Å; I197-Y336 PolarHBondContact O-N 3.03Å |
| 198 | V | 98.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 136.9 | 174.7 | -177.6 | 0 | 0 | 0 | 0 | 109 | Y181 R196 F200 C213 F215 Y336 A337 E339 | Y181-V198 HydrophobicContact CE1-CG2 3.98Å; R196-V198 HydrophobicContact CG-CG2 4.25Å; V198-F200 HydrophobicContact CB-CE2 4.27Å; V198-F200 HydrophobicContact CB-CZ 4.42Å; V198-F200 HydrophobicContact CG1-CE1 4.26Å; V198-F200 HydrophobicContact CG1-CE2 3.98Å; V198-F200 HydrophobicContact CG1-CZ 3.82Å; V198-C213 PolarHBondContact N-O 2.92Å; V198-C213 PolarHBondContact O-N 3.29Å; V198-F215 HydrophobicContact CB-CD2 4.31Å; V198-F215 HydrophobicContact CB-CE2 4.01Å; V198-F215 HydrophobicContact CG2-CD2 4.12Å; V198-F215 HydrophobicContact CG2-CE2 4.21Å; V198-Y336 HydrophobicContact CG2-CD1 4.43Å; V198-A337 WeakPolarHBondContact CA-O 3.32Å; V198-A337 HydrophobicContact CG1-CB 4.36Å; V198-E339 HydrophobicContact CG1-CG 3.85Å |
| 199 | V | 98.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 130.2 | 171.1 | -171.7 | 0 | 0 | 0 | 0 | 108.6 | V201 V210 S211 V212 I335 A337 V338 E339 F358 | V199-V201 HydrophobicContact CG1-CG2 4.12Å; V199-V210 HydrophobicContact CG1-CG1 3.75Å; V199-S211 WeakPolarHBondContact CA-O 3.41Å; V199-V212 HydrophobicContact CG1-CG2 4.43Å; V199-V212 HydrophobicContact CG2-CG2 4.15Å; V199-I335 HydrophobicContact CG2-CD1 3.76Å; V199-I335 HydrophobicContact CG2-CG1 4.04Å; V199-I335 HydrophobicContact CG2-CG2 3.97Å; V199-A337 PolarHBondContact N-O 2.84Å; V199-V338 HydrophobicContact CB-CG1 4.42Å; V199-V338 HydrophobicContact CB-CG2 4.41Å; V199-V338 CarbonylContact O-C 3.56Å; V199-V338 WeakPolarHBondContact O-CA 3.46Å; V199-E339 PolarHBondContact O-N 3.03Å; V199-F358 HydrophobicContact CB-CZ 4.4Å; V199-F358 HydrophobicContact CG1-CZ 4Å; V199-F358 HydrophobicContact CG2-CE1 4.29Å; V199-F358 HydrophobicContact CG2-CZ 4.27Å |
| 200 | F | 98.4 | Very high | 96.3 | Very high | 1 Ų | 1 | 37.6 Ų | 37.6 | 0% | 0.004 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 133 | 167.8 | -61.6 | -85.4 | 0 | 0 | 0 | 109.2 | V177 S178 Y181 V198 V210 S211 C213 F215 E339 L366 | V177-F200 HydrophobicContact CG1-CD1 3.63Å; V177-F200 HydrophobicContact CG1-CE1 4.12Å; V177-F200 HydrophobicContact CG1-CG 4.27Å; S178-F200 WeakPolarHBondContact OG-CD2 3.34Å; S178-F200 VanDerWaalsContact OG-CE2 3.26Å; S178-F200 WeakPolarHBondContact OG-CE2 3.44Å; Y181-F200 AromaticContact CD1-CZ 3.93Å; Y181-F200 HydrophobicContact CD1-CZ 3.93Å; Y181-F200 HydrophobicContact CD2-CE1 4.09Å; Y181-F200 HydrophobicContact CD2-CZ 4.17Å; Y181-F200 AromaticContact CG-CE1 3.99Å; Y181-F200 HydrophobicContact CG-CE1 3.99Å; Y181-F200 AromaticContact CG-CZ 3.67Å; Y181-F200 HydrophobicContact CG-CZ 3.67Å; V198-F200 HydrophobicContact CB-CE2 4.27Å; V198-F200 HydrophobicContact CB-CZ 4.42Å; V198-F200 HydrophobicContact CG1-CE1 4.26Å; V198-F200 HydrophobicContact CG1-CE2 3.98Å; V198-F200 HydrophobicContact CG1-CZ 3.82Å; F200-V210 WeakPolarHBondContact O-CA 3.41Å; F200-S211 PolarHBondContact N-O 3.41Å; F200-S211 PolarHBondContact O-N 2.84Å; F200-C213 HydrophobicContact CD2-CB 4.28Å; F200-C213 HydrophobicContact CE2-CB 4.02Å; F200-F215 AromaticContact CE2-CE2 3.77Å; F200-F215 HydrophobicContact CE2-CE2 3.77Å; F200-F215 AromaticContact CE2-CZ 3.8Å; F200-F215 HydrophobicContact CE2-CZ 3.8Å; F200-F215 HydrophobicContact CZ-CE2 4.07Å; F200-F215 AromaticContact CZ-CZ 3.95Å; F200-F215 HydrophobicContact CZ-CZ 3.95Å; F200-E339 WeakPolarHBondContact CA-O 3.24Å; F200-E339 HydrophobicContact CD1-CB 3.69Å; F200-E339 HydrophobicContact CD1-CG 4.25Å; F200-E339 HydrophobicContact CE1-CB 3.78Å; F200-E339 HydrophobicContact CE1-CG 3.83Å; F200-L366 HydrophobicContact CE1-CD1 4.13Å |
| 201 | V | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 116.4 | 178.2 | -175 | 0 | 0 | 0 | 0 | 108.5 | V199 Y208 V210 L321 V338 E339 I340 V341 I354 | V199-V201 HydrophobicContact CG1-CG2 4.12Å; V201-Y208 HydrophobicContact CG1-CE2 3.58Å; V201-V210 HydrophobicContact CG1-CG2 4.43Å; V201-V210 HydrophobicContact CG2-CG1 4.39Å; V201-L321 HydrophobicContact CG2-CD2 4.2Å; V201-V338 HydrophobicContact CG2-CG1 3.96Å; V201-E339 PolarHBondContact N-O 3.34Å; V201-I340 HydrophobicContact CB-CG2 4.32Å; V201-I340 WeakPolarHBondContact O-CA 3.35Å; V201-V341 PolarHBondContact O-N 3.06Å; V201-I354 HydrophobicContact CG1-CD1 3.8Å; V201-I354 HydrophobicContact CG1-CG1 4.46Å; V201-I354 HydrophobicContact CG2-CG2 4.19Å |
| 202 | D | 97.9 | Very high | 96.7 | Very high | 12 Ų | 12 | 32.7 Ų | 32.7 | 6% | 0.064 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 119.4 | -178 | -173.1 | -4.4 | 0 | 0 | 0 | 109.6 | T174 Y208 Q209 V341 G342 | T174-D202 HydrophobicContact CG2-CB 4.26Å; D202-Y208 CarbonylContact O-C 3.55Å; D202-Y208 WeakPolarHBondContact O-CA 3.36Å; D202-Y208 WeakPolarHBondContact O-CD2 3.31Å; D202-Q209 HydrophobicContact CB-CB 4.38Å; D202-Q209 PolarHBondContact N-O 2.88Å; D202-Q209 PolarHBondContact O-N 2.92Å; D202-V341 WeakPolarHBondContact CA-O 3.46Å; D202-V341 HydrophobicContact CB-CG2 3.66Å; D202-G342 VanDerWaalsContact OD1-CA 3.31Å; D202-G342 WeakPolarHBondContact OD1-CA 3.41Å |
| 203 | L | 97.5 | Very high | 97 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 93.9 | 171.4 | -172.6 | 67.3 | 0 | 0 | 0 | 108.9 | Y208 L231 V341 G342 G343 A344 T345 I350 | L203-Y208 HydrophobicContact CB-CD2 4.04Å; L203-Y208 HydrophobicContact CD1-CD2 3.61Å; L203-Y208 HydrophobicContact CD1-CG 3.8Å; L203-Y208 HydrophobicContact CG-CD2 4.36Å; L203-L231 HydrophobicContact CD1-CD2 4.47Å; L203-L231 HydrophobicContact CD1-CG 4.15Å; L203-V341 PolarHBondContact N-O 3Å; L203-G342 CarbonylContact O-C 3.54Å; L203-G343 PolarHBondContact O-N 2.99Å; L203-A344 HydrophobicContact CB-CB 4.47Å; L203-A344 HydrophobicContact CD2-CB 3.88Å; L203-A344 HydrophobicContact CG-CB 3.84Å; L203-A344 WeakPolarHBondContact O-CB 3.31Å; L203-A344 PolarHBondContact O-N 3.08Å; L203-T345 HydrophobicContact CB-CG2 3.61Å; L203-I350 HydrophobicContact CD2-CD1 3.93Å; L203-I350 HydrophobicContact CD2-CG1 4.02Å; L203-I350 HydrophobicContact CD2-CG2 3.99Å |
| 204 | G | 95.3 | Very high | 97.1 | Very high | 21 Ų | 21 | 18.9 Ų | 18.9 | 22% | 0.216 | 10% | 0.098 | C | C | . | . | trans | -82 | -157.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113 | G207 G232 G233 | G204-G207 PolarHBondContact N-O 3.45Å; G204-G232 WeakPolarHBondContact O-CA 3.35Å; G204-G233 PolarHBondContact O-N 3.16Å | ||
| 205 | H | 95.6 | Very high | 97.2 | Very high | 41 Ų | 41 | 9.7 Ų | 9.7 | 19% | 0.19 | 6% | 0.058 | C | C | . | . | S | Bend | trans | -75.8 | -31.5 | 178.8 | 175.9 | -95.1 | 0 | 0 | 0 | 113.8 | F10 Q11 G232 G233 K234 | F10-H205 HydrophobicContact CB-CB 4.34Å; Q11-H205 HydrophobicContact CB-CB 3.79Å; Q11-H205 PolarHBondContact OE1-CD2 3.32Å; H205-G232 CarbonylContact O-C 3.6Å; H205-G233 PolarHBondContact O-N 3.45Å; H205-G233 VanDerWaalsContact O-N 3.13Å; H205-K234 VanDerWaalsContact O-CB 3.29Å; H205-K234 WeakPolarHBondContact O-CB 3.41Å; H205-K234 PolarHBondContact O-N 2.93Å |
| 206 | S | 92.2 | Very high | 97.2 | Very high | 9 Ų | 9 | 7.8 Ų | 7.8 | 6% | 0.063 | 5% | 0.045 | C | C | . | . | S | Bend | trans | -150.6 | 44.1 | -174 | -54.1 | 0 | 0 | 0 | 0 | 112 | Y147 | Y147-S206 PolarHBondContact OH-O 3.37Š|
| 207 | G | 93.2 | Very high | 97.1 | Very high | 4 Ų | 4 | 11.9 Ų | 11.9 | 4% | 0.041 | 6% | 0.064 | C | C | . | . | trans | 177.7 | 139 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y147 G204 L231 | Y147-G207 WeakPolarHBondContact OH-CA 3.37Å; G204-G207 PolarHBondContact N-O 3.45Å; G207-L231 CarbonylContact C-O 3.58Å; G207-L231 WeakPolarHBondContact CA-O 3.43Å; G207-L231 PolarHBondContact N-O 3.26Å | ||
| 208 | Y | 97.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 7% | 0.069 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 128.7 | 176.8 | 178.4 | -137.5 | 0 | 0 | 0 | 108.8 | V201 D202 L203 V210 F227 D228 L231 V317 P320 L321 | V201-Y208 HydrophobicContact CG1-CE2 3.58Å; D202-Y208 CarbonylContact O-C 3.55Å; D202-Y208 WeakPolarHBondContact O-CA 3.36Å; D202-Y208 WeakPolarHBondContact O-CD2 3.31Å; L203-Y208 HydrophobicContact CB-CD2 4.04Å; L203-Y208 HydrophobicContact CD1-CD2 3.61Å; L203-Y208 HydrophobicContact CD1-CG 3.8Å; L203-Y208 HydrophobicContact CG-CD2 4.36Å; Y208-V210 HydrophobicContact CE1-CG2 4.39Å; Y208-V210 HydrophobicContact CE2-CG2 4.21Å; Y208-F227 CarbonylContact O-C 3.49Å; Y208-F227 WeakPolarHBondContact O-CA 3.48Å; Y208-F227 WeakPolarHBondContact O-CB 3.47Å; Y208-D228 HydrophobicContact CD1-CB 4.24Å; Y208-D228 PolarHBondContact N-O 2.82Å; Y208-D228 PolarHBondContact O-N 2.81Å; Y208-L231 WeakPolarHBondContact CB-O 3.39Å; Y208-L231 HydrophobicContact CD1-CD2 3.75Å; Y208-L231 HydrophobicContact CE1-CD2 4.41Å; Y208-L231 HydrophobicContact CG-CD2 4.08Å; Y208-L231 PolarHBondContact N-O 2.86Å; Y208-V317 VanDerWaalsContact CE1-O 3.22Å; Y208-V317 WeakPolarHBondContact CE1-O 3.45Å; Y208-V317 PolarHBondContact OH-O 2.96Å; Y208-P320 HydrophobicContact CD1-CB 4.22Å; Y208-P320 HydrophobicContact CD1-CG 3.71Å; Y208-P320 HydrophobicContact CE1-CB 3.86Å; Y208-P320 HydrophobicContact CE1-CG 3.67Å; Y208-L321 WeakPolarHBondContact OH-CG 3.48Å |
| 209 | Q | 97.1 | Very high | 96.7 | Very high | 4 Ų | 4 | 16.4 Ų | 16.4 | 2% | 0.019 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 141.3 | -173.3 | -62.5 | 175.5 | 83.6 | 0 | 0 | 111.1 | S146 Y147 E173 T174 D202 F227 | S146-Q209 PolarHBondContact OG-OE1 3.33Å; Y147-Q209 HydrophobicContact CD1-CG 3.97Å; Y147-Q209 HydrophobicContact CE1-CG 3.81Å; E173-Q209 PolarHBondContact OE2-NE2 2.92Å; T174-Q209 HydrophobicContact CG2-CB 3.71Å; D202-Q209 HydrophobicContact CB-CB 4.38Å; D202-Q209 PolarHBondContact N-O 2.88Å; D202-Q209 PolarHBondContact O-N 2.92Å; Q209-F227 HydrophobicContact CG-CB 4.2Å |
| 210 | V | 98.1 | Very high | 96.6 | Very high | 1 Ų | 1 | 16.4 Ų | 16.4 | 1% | 0.006 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 128.6 | 179.9 | -173.3 | 0 | 0 | 0 | 0 | 108.3 | V199 F200 V201 Y208 A225 A226 P320 L321 V324 | V199-V210 HydrophobicContact CG1-CG1 3.75Å; F200-V210 WeakPolarHBondContact O-CA 3.41Å; V201-V210 HydrophobicContact CG1-CG2 4.43Å; V201-V210 HydrophobicContact CG2-CG1 4.39Å; Y208-V210 HydrophobicContact CE1-CG2 4.39Å; Y208-V210 HydrophobicContact CE2-CG2 4.21Å; V210-A225 VanDerWaalsContact O-CA 3.3Å; V210-A225 WeakPolarHBondContact O-CA 3.36Å; V210-A226 PolarHBondContact N-O 2.96Å; V210-A226 PolarHBondContact O-N 3.45Å; V210-P320 HydrophobicContact CG2-CB 3.85Å; V210-L321 HydrophobicContact CG1-CD2 4.03Å; V210-L321 HydrophobicContact CG2-CD2 3.86Å; V210-V324 HydrophobicContact CB-CG1 4.08Å; V210-V324 HydrophobicContact CG1-CB 4.45Å; V210-V324 HydrophobicContact CG1-CG1 3.94Å; V210-V324 HydrophobicContact CG1-CG2 3.69Å |
| 211 | S | 97.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 135.2 | 174.2 | 63.1 | 0 | 0 | 0 | 0 | 111.6 | T174 V199 F200 A224 | T174-S211 WeakPolarHBondContact CB-OG 3.48Å; V199-S211 WeakPolarHBondContact CA-O 3.41Å; F200-S211 PolarHBondContact N-O 3.41Å; F200-S211 PolarHBondContact O-N 2.84Å; S211-A224 WeakPolarHBondContact CA-O 3.4Å |
| 212 | V | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 123.1 | 174.2 | -176.7 | 0 | 0 | 0 | 0 | 108.7 | I197 V199 L223 A224 V324 T328 L330 | I197-V212 HydrophobicContact CG2-CG1 3.67Å; V199-V212 HydrophobicContact CG1-CG2 4.43Å; V199-V212 HydrophobicContact CG2-CG2 4.15Å; V212-L223 HydrophobicContact CG1-CD1 4.35Å; V212-L223 WeakPolarHBondContact O-CB 3.42Å; V212-L223 PolarHBondContact O-N 2.75Å; V212-A224 PolarHBondContact N-O 2.7Å; V212-V324 HydrophobicContact CG2-CB 3.67Å; V212-V324 HydrophobicContact CG2-CG1 4.41Å; V212-V324 HydrophobicContact CG2-CG2 3.68Å; V212-T328 HydrophobicContact CB-CG2 3.97Å; V212-T328 HydrophobicContact CG1-CG2 4.09Å; V212-T328 HydrophobicContact CG2-CG2 4.27Å; V212-L330 HydrophobicContact CG1-CD1 4.05Å |
| 213 | C | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 133.2 | -166.3 | -59.5 | 0 | 0 | 0 | 0 | 111.5 | S178 I197 V198 F200 F215 L220 I222 | S178-C213 PolarHBondContact OG-SG 3.25Å; I197-C213 WeakPolarHBondContact CA-O 3.39Å; V198-C213 PolarHBondContact N-O 2.92Å; V198-C213 PolarHBondContact O-N 3.29Å; F200-C213 HydrophobicContact CD2-CB 4.28Å; F200-C213 HydrophobicContact CE2-CB 4.02Å; C213-F215 HydrophobicContact CB-CD2 4.37Å; C213-F215 HydrophobicContact CB-CE2 3.71Å; C213-F215 HydrophobicContact CB-CZ 4.24Å; C213-L220 HydrophobicContact CB-CD1 3.9Å; C213-I222 WeakPolarHBondContact SG-CD1 3.22Å |
| 214 | A | 98.1 | Very high | 96.5 | Very high | 7 Ų | 7 | 22.9 Ų | 22.9 | 6% | 0.058 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 124.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | P195 I197 K221 L223 | P195-A214 HydrophobicContact CB-CB 3.8Å; P195-A214 HydrophobicContact CG-CB 4.1Å; I197-A214 HydrophobicContact CD1-CB 3.87Å; A214-K221 PolarHBondContact N-O 3.05Å; A214-K221 PolarHBondContact O-N 3.18Å; A214-L223 HydrophobicContact CB-CD1 4.13Å; A214-L223 HydrophobicContact CB-CD2 3.95Å; A214-L223 HydrophobicContact CB-CG 4.04Å |
| 215 | F | 98.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 131.9 | 178.4 | -67.7 | -87.2 | 0 | 0 | 0 | 112.8 | S178 Y181 G182 L188 P195 R196 V198 F200 C213 K219 L220 F392 | S178-F215 VanDerWaalsContact O-CE1 3.31Å; S178-F215 WeakPolarHBondContact O-CE1 3.43Å; S178-F215 WeakPolarHBondContact O-CZ 3.5Å; Y181-F215 HydrophobicContact CD1-CE1 4.2Å; Y181-F215 HydrophobicContact CD1-CE2 4.02Å; Y181-F215 AromaticContact CD1-CZ 3.8Å; Y181-F215 HydrophobicContact CD1-CZ 3.8Å; Y181-F215 HydrophobicContact CE1-CE2 4.36Å; G182-F215 VanDerWaalsContact CA-CE1 3.49Å; L188-F215 HydrophobicContact CD1-CB 4.24Å; L188-F215 HydrophobicContact CD1-CD1 4.37Å; L188-F215 HydrophobicContact CD2-CB 3.93Å; P195-F215 CarbonylContact C-O 3.55Å; P195-F215 WeakPolarHBondContact CA-O 3.37Å; R196-F215 HydrophobicContact CB-CB 4.48Å; R196-F215 PolarHBondContact N-O 3.4Å; R196-F215 PolarHBondContact O-N 2.78Å; V198-F215 HydrophobicContact CB-CD2 4.31Å; V198-F215 HydrophobicContact CB-CE2 4.01Å; V198-F215 HydrophobicContact CG2-CD2 4.12Å; V198-F215 HydrophobicContact CG2-CE2 4.21Å; F200-F215 AromaticContact CE2-CE2 3.77Å; F200-F215 HydrophobicContact CE2-CE2 3.77Å; F200-F215 AromaticContact CE2-CZ 3.8Å; F200-F215 HydrophobicContact CE2-CZ 3.8Å; F200-F215 HydrophobicContact CZ-CE2 4.07Å; F200-F215 AromaticContact CZ-CZ 3.95Å; F200-F215 HydrophobicContact CZ-CZ 3.95Å; C213-F215 HydrophobicContact CB-CD2 4.37Å; C213-F215 HydrophobicContact CB-CE2 3.71Å; C213-F215 HydrophobicContact CB-CZ 4.24Å; F215-K219 WeakPolarHBondContact CA-O 3.38Å; F215-L220 HydrophobicContact CD1-CB 4.36Å; F215-L220 HydrophobicContact CD1-CD1 4.23Å; F215-L220 HydrophobicContact CE1-CB 4.18Å; F215-L220 HydrophobicContact CE1-CD1 3.7Å; F215-L220 HydrophobicContact CE1-CD2 4.46Å; F215-L220 HydrophobicContact CE1-CG 4.33Å; F215-L220 HydrophobicContact CE2-CD1 4.31Å; F215-L220 HydrophobicContact CZ-CD1 3.75Å; F215-F392 HydrophobicContact CD1-CZ 4.32Å; F215-F392 HydrophobicContact CE1-CZ 4.4Å |
| 216 | N | 97 | Very high | 96.6 | Very high | 13 Ų | 13 | 20.5 Ų | 20.5 | 7% | 0.07 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 169 | 157.1 | -57.5 | 89.1 | 0 | 0 | 0 | 108.4 | P189 A190 E193 G218 K219 | P189-N216 CarbonylContact O-C 3.59Å; P189-N216 VanDerWaalsContact O-CA 3.32Å; P189-N216 WeakPolarHBondContact O-CA 3.23Å; P189-N216 WeakPolarHBondContact O-CB 3.49Å; A190-N216 PolarHBondContact O-ND2 3.26Å; E193-N216 PolarHBondContact O-ND2 2.84Å; N216-G218 PolarHBondContact O-N 3.44Å; N216-G218 VanDerWaalsContact O-N 3.07Å; N216-K219 HydrophobicContact CB-CB 4.3Å; N216-K219 PolarHBondContact N-O 3.21Å; N216-K219 PolarHBondContact O-N 3.23Å |
| 217 | K | 94.8 | Very high | 96.7 | Very high | 121 Ų | 121 | 21.9 Ų | 21.9 | 53% | 0.526 | 11% | 0.108 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | 112.3 | 175.4 | -173.3 | 175.1 | -179.2 | 177.6 | 0 | 110.5 | P189 | P189-K217 PolarHBondContact O-N 3.43Š|
| 218 | G | 93.3 | Very high | 96.8 | Very high | 18 Ų | 18 | 23.1 Ų | 23.1 | 19% | 0.186 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.6 | 14.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | N216 F392 S393 | N216-G218 PolarHBondContact O-N 3.44Å; N216-G218 VanDerWaalsContact O-N 3.07Å; G218-F392 WeakPolarHBondContact O-CA 3.38Å; G218-S393 PolarHBondContact O-N 3Å; G218-S393 PolarHBondContact O-OG 3.09Å |
| 219 | K | 95.7 | Very high | 96.5 | Very high | 92 Ų | 92 | 23.9 Ų | 23.9 | 40% | 0.4 | 12% | 0.119 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 122.4 | -172.5 | -172.8 | 175.3 | -176.5 | -179.6 | 0 | 113.1 | F215 N216 S393 | F215-K219 WeakPolarHBondContact CA-O 3.38Å; N216-K219 HydrophobicContact CB-CB 4.3Å; N216-K219 PolarHBondContact N-O 3.21Å; N216-K219 PolarHBondContact O-N 3.23Å; K219-S393 WeakPolarHBondContact CA-O 3.49Å; K219-S393 WeakPolarHBondContact CA-OG 3.5Å |
| 220 | L | 97.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 129.4 | 168.2 | 164 | 60.6 | 0 | 0 | 0 | 109.2 | C213 F215 I222 F392 S393 I394 T395 | C213-L220 HydrophobicContact CB-CD1 3.9Å; F215-L220 HydrophobicContact CD1-CB 4.36Å; F215-L220 HydrophobicContact CD1-CD1 4.23Å; F215-L220 HydrophobicContact CE1-CB 4.18Å; F215-L220 HydrophobicContact CE1-CD1 3.7Å; F215-L220 HydrophobicContact CE1-CD2 4.46Å; F215-L220 HydrophobicContact CE1-CG 4.33Å; F215-L220 HydrophobicContact CE2-CD1 4.31Å; F215-L220 HydrophobicContact CZ-CD1 3.75Å; L220-I222 HydrophobicContact CD1-CD1 4.03Å; L220-I222 HydrophobicContact CG-CD1 4.44Å; L220-F392 HydrophobicContact CB-CE1 3.51Å; L220-F392 HydrophobicContact CB-CZ 3.9Å; L220-F392 HydrophobicContact CD2-CE1 4.4Å; L220-S393 PolarHBondContact N-O 3.27Å; L220-I394 HydrophobicContact CD2-CG2 4.17Å; L220-I394 WeakPolarHBondContact O-CA 3.36Å; L220-T395 PolarHBondContact O-N 2.84Å |
| 221 | K | 97.6 | Very high | 96 | Very high | 99 Ų | 99 | 26.6 Ų | 26.6 | 43% | 0.43 | 13% | 0.133 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 123 | 165.2 | 177.8 | -179.3 | 176.4 | -170.1 | 0 | 110 | A214 L223 T395 | A214-K221 PolarHBondContact N-O 3.05Å; A214-K221 PolarHBondContact O-N 3.18Å; K221-L223 HydrophobicContact CD-CD2 4.04Å; K221-L223 HydrophobicContact CG-CD2 4.16Å; K221-T395 HydrophobicContact CG-CG2 4.31Å |
| 222 | I | 97.9 | Very high | 95.9 | Very high | 2 Ų | 2 | 26.6 Ų | 26.6 | 1% | 0.01 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 131.7 | 165.1 | -46 | -59.8 | 0 | 0 | 0 | 108 | T175 C213 L220 T395 V397 | T175-I222 HydrophobicContact CG2-CD1 4.17Å; T175-I222 HydrophobicContact CG2-CG1 4.28Å; T175-I222 WeakPolarHBondContact OG1-CD1 3.07Å; C213-I222 WeakPolarHBondContact SG-CD1 3.22Å; L220-I222 HydrophobicContact CD1-CD1 4.03Å; L220-I222 HydrophobicContact CG-CD1 4.44Å; I222-T395 PolarHBondContact N-O 3.2Å; I222-V397 HydrophobicContact CB-CG1 4.12Å; I222-V397 HydrophobicContact CB-CG2 4.06Å; I222-V397 HydrophobicContact CG2-CG1 4.36Å; I222-V397 HydrophobicContact CG2-CG2 3.63Å; I222-V397 WeakPolarHBondContact O-CG1 3.4Å |
| 223 | L | 97.3 | Very high | 95.9 | Very high | 49 Ų | 49 | 26.7 Ų | 26.7 | 26% | 0.257 | 14% | 0.135 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | -42.4 | 179.7 | -60.4 | -174.1 | 0 | 0 | 0 | 112 | I197 V212 A214 K221 T328 L330 | I197-L223 HydrophobicContact CD1-CD1 3.98Å; V212-L223 HydrophobicContact CG1-CD1 4.35Å; V212-L223 WeakPolarHBondContact O-CB 3.42Å; V212-L223 PolarHBondContact O-N 2.75Å; A214-L223 HydrophobicContact CB-CD1 4.13Å; A214-L223 HydrophobicContact CB-CD2 3.95Å; A214-L223 HydrophobicContact CB-CG 4.04Å; K221-L223 HydrophobicContact CD-CD2 4.04Å; K221-L223 HydrophobicContact CG-CD2 4.16Å; L223-T328 HydrophobicContact CB-CG2 3.88Å; L223-L330 HydrophobicContact CD1-CD1 4.14Å |
| 224 | A | 96.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 159.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | S211 V212 Q327 T328 N423 | S211-A224 WeakPolarHBondContact CA-O 3.4Å; V212-A224 PolarHBondContact N-O 2.7Å; A224-Q327 HydrophobicContact CB-CB 3.83Å; A224-T328 HydrophobicContact CB-CG2 3.57Å; A224-N423 WeakPolarHBondContact CA-OD1 3.31Å |
| 225 | A | 95.5 | Very high | 95.6 | Very high | 6 Ų | 6 | 29.7 Ų | 29.7 | 5% | 0.05 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 148.1 | 168.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | V210 Q327 N423 | V210-A225 VanDerWaalsContact O-CA 3.3Å; V210-A225 WeakPolarHBondContact O-CA 3.36Å; A225-Q327 PolarHBondContact O-NE2 3.09Å; A225-Q327 PolarHBondContact O-OE1 2.82Å; A225-N423 PolarHBondContact N-OD1 2.81Å |
| 226 | A | 95.9 | Very high | 95.6 | Very high | 5 Ų | 5 | 29.8 Ų | 29.8 | 4% | 0.041 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 162.6 | 168 | 0 | 0 | 0 | 0 | 0 | 110 | V210 P320 V324 | V210-A226 PolarHBondContact N-O 2.96Å; V210-A226 PolarHBondContact O-N 3.45Å; A226-P320 HydrophobicContact CB-CB 4.06Å; A226-V324 HydrophobicContact CB-CG1 3.57Å |
| 227 | F | 95.8 | Very high | 95.6 | Very high | 39 Ų | 39 | 29.4 Ų | 29.4 | 17% | 0.171 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.4 | 160.3 | -169 | 45.3 | -96.6 | 0 | 0 | 0 | 111.9 | Y147 Y208 Q209 Y400 | Y147-F227 HydrophobicContact CD1-CB 3.77Å; Y147-F227 HydrophobicContact CD1-CD1 4.42Å; Y147-F227 HydrophobicContact CD1-CD2 4.16Å; Y147-F227 AromaticContact CD1-CG 3.86Å; Y147-F227 HydrophobicContact CD1-CG 3.86Å; Y147-F227 HydrophobicContact CE1-CB 4.45Å; Y147-F227 HydrophobicContact CG-CB 4.49Å; Y147-F227 HydrophobicContact CG-CD2 4.06Å; Y147-F227 HydrophobicContact CG-CE2 4.46Å; Y147-F227 HydrophobicContact CG-CG 4.11Å; Y208-F227 CarbonylContact O-C 3.49Å; Y208-F227 WeakPolarHBondContact O-CA 3.48Å; Y208-F227 WeakPolarHBondContact O-CB 3.47Å; Q209-F227 HydrophobicContact CG-CB 4.2Å; F227-Y400 AromaticContact CZ-CE1 3.8Å; F227-Y400 HydrophobicContact CZ-CE1 3.8Å; F227-Y400 AromaticContact CZ-CZ 3.86Å; F227-Y400 WeakPolarHBondContact CZ-OH 3.43Å |
| 228 | D | 94.8 | Very high | 95.6 | Very high | 29 Ų | 29 | 25.2 Ų | 25.2 | 16% | 0.155 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 114.9 | 158.1 | -176.1 | -15.4 | 0 | 0 | 0 | 106.6 | Y208 D230 L231 K316 P320 | Y208-D228 HydrophobicContact CD1-CB 4.24Å; Y208-D228 PolarHBondContact N-O 2.82Å; Y208-D228 PolarHBondContact O-N 2.81Å; D228-D230 PolarHBondContact O-N 2.96Å; D228-D230 WeakPolarHBondContact OD1-CA 3.34Å; D228-D230 PolarHBondContact OD1-N 3.05Å; D228-L231 HydrophobicContact CB-CB 3.98Å; D228-K316 IonicContact OD1-NZ 2.99Å; D228-K316 PolarHBondContact OD1-NZ 2.89Å; D228-K316 WeakPolarHBondContact OD2-CD 3.39Å; D228-K316 WeakPolarHBondContact OD2-CE 3.27Å; D228-K316 IonicContact OD2-NZ 3.9Å; D228-K316 PolarHBondContact OD2-NZ 3.28Å; D228-P320 HydrophobicContact CB-CG 4.21Å |
| 229 | S | 91.4 | Very high | 95.8 | Very high | 17 Ų | 17 | 26.2 Ų | 26.2 | 12% | 0.119 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -13 | -179.4 | 47.6 | 0 | 0 | 0 | 0 | 113.5 | N453 | S229-N453 PolarHBondContact OG-ND2 3.47Š|
| 230 | D | 89.6 | Confident | 95.9 | Very high | 61 Ų | 61 | 21.8 Ų | 21.8 | 33% | 0.326 | 11% | 0.111 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -124.1 | 39 | -172.9 | -59.4 | -79.1 | 0 | 0 | 0 | 109.5 | R69 D228 K316 N453 | R69-D230 IonicContact NH2-OD1 3.28Å; D228-D230 PolarHBondContact O-N 2.96Å; D228-D230 WeakPolarHBondContact OD1-CA 3.34Å; D228-D230 PolarHBondContact OD1-N 3.05Å; D230-K316 PolarHBondContact O-NZ 3.47Å; D230-N453 PolarHBondContact OD2-ND2 2.94Å |
| 231 | L | 95.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 11% | 0.111 | C | C | . | . | trans | -144.1 | 114.8 | 168.6 | -179 | 67.1 | 0 | 0 | 0 | 109.5 | L203 G207 Y208 D228 F236 L313 K316 V317 | L203-L231 HydrophobicContact CD1-CD2 4.47Å; L203-L231 HydrophobicContact CD1-CG 4.15Å; G207-L231 CarbonylContact C-O 3.58Å; G207-L231 WeakPolarHBondContact CA-O 3.43Å; G207-L231 PolarHBondContact N-O 3.26Å; Y208-L231 WeakPolarHBondContact CB-O 3.39Å; Y208-L231 HydrophobicContact CD1-CD2 3.75Å; Y208-L231 HydrophobicContact CE1-CD2 4.41Å; Y208-L231 HydrophobicContact CG-CD2 4.08Å; Y208-L231 PolarHBondContact N-O 2.86Å; D228-L231 HydrophobicContact CB-CB 3.98Å; L231-F236 HydrophobicContact CD1-CE2 4.12Å; L231-F236 HydrophobicContact CD1-CZ 4.44Å; L231-L313 HydrophobicContact CD1-CB 3.96Å; L231-L313 HydrophobicContact CD1-CD2 4.15Å; L231-K316 HydrophobicContact CB-CD 4.4Å; L231-K316 HydrophobicContact CD1-CD 4.17Å; L231-K316 HydrophobicContact CD2-CB 3.83Å; L231-V317 HydrophobicContact CD2-CG2 4.23Å | ||
| 232 | G | 95.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 11% | 0.107 | C | C | . | . | S | Bend | trans | -161.8 | -178.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | G204 H205 K234 D235 F236 | G204-G232 WeakPolarHBondContact O-CA 3.35Å; H205-G232 CarbonylContact O-C 3.6Å; G232-K234 PolarHBondContact O-N 3.34Å; G232-K234 VanDerWaalsContact O-N 3.1Å; G232-D235 PolarHBondContact N-OD2 2.69Å; G232-D235 PolarHBondContact O-N 3.08Å; G232-F236 VanDerWaalsContact O-CD2 3.32Å; G232-F236 WeakPolarHBondContact O-CD2 3.46Å |
| 233 | G | 96.6 | Very high | 95.8 | Very high | 3 Ų | 3 | 22.9 Ų | 22.9 | 3% | 0.031 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -53.1 | -31.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | G204 H205 D237 K274 | G204-G233 PolarHBondContact O-N 3.16Å; H205-G233 PolarHBondContact O-N 3.45Å; H205-G233 VanDerWaalsContact O-N 3.13Å; G233-D237 PolarHBondContact O-N 2.78Å; G233-K274 PolarHBondContact O-NZ 3.46Å |
| 234 | K | 94.9 | Very high | 95.8 | Very high | 40 Ų | 40 | 20.5 Ų | 20.5 | 17% | 0.174 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -63.5 | -40.4 | 176.9 | 169.8 | 170.8 | 155.5 | 55.4 | 0 | 112.5 | H205 G232 F236 D237 D238 | H205-K234 VanDerWaalsContact O-CB 3.29Å; H205-K234 WeakPolarHBondContact O-CB 3.41Å; H205-K234 PolarHBondContact O-N 2.93Å; G232-K234 PolarHBondContact O-N 3.34Å; G232-K234 VanDerWaalsContact O-N 3.1Å; K234-F236 PolarHBondContact O-N 2.97Å; K234-D237 CarbonylContact O-C 3.57Å; K234-D237 WeakPolarHBondContact O-CA 3.39Å; K234-D237 WeakPolarHBondContact O-CB 3.46Å; K234-D237 PolarHBondContact O-N 3.19Å; K234-D238 WeakPolarHBondContact CE-OD2 3.19Å; K234-D238 IonicContact NZ-OD1 3.58Å; K234-D238 PolarHBondContact NZ-OD1 3.33Å; K234-D238 IonicContact NZ-OD2 3.94Å; K234-D238 PolarHBondContact NZ-OD2 3.38Å; K234-D238 PolarHBondContact O-N 3.03Å |
| 235 | D | 95.8 | Very high | 95.8 | Very high | 30 Ų | 30 | 21 Ų | 21 | 16% | 0.16 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -67.2 | -26.5 | -173.4 | -49.5 | -77.4 | 0 | 0 | 0 | 111.1 | G232 I239 L313 | G232-D235 PolarHBondContact N-OD2 2.69Å; G232-D235 PolarHBondContact O-N 3.08Å; D235-I239 PolarHBondContact O-N 3.38Å; D235-L313 VanDerWaalsContact C-CD1 3.48Å; D235-L313 HydrophobicContact CB-CD1 3.71Å; D235-L313 HydrophobicContact CB-CD2 4.21Å; D235-L313 WeakPolarHBondContact O-CD1 3.41Å |
| 236 | F | 97.8 | Very high | 95.9 | Very high | 1 Ų | 1 | 26.1 Ų | 26.1 | 0% | 0.004 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -72.8 | -33.3 | 168 | -63.6 | -94.8 | 0 | 0 | 0 | 113.2 | L231 G232 K234 L240 K274 F306 C310 L313 L314 I347 I350 | L231-F236 HydrophobicContact CD1-CE2 4.12Å; L231-F236 HydrophobicContact CD1-CZ 4.44Å; G232-F236 VanDerWaalsContact O-CD2 3.32Å; G232-F236 WeakPolarHBondContact O-CD2 3.46Å; K234-F236 PolarHBondContact O-N 2.97Å; F236-L240 PolarHBondContact O-N 3.05Å; F236-K274 HydrophobicContact CB-CD 3.81Å; F236-F306 HydrophobicContact CB-CE2 4.23Å; F236-F306 HydrophobicContact CB-CZ 4.02Å; F236-F306 HydrophobicContact CD1-CE2 4.38Å; F236-F306 AromaticContact CD1-CZ 3.87Å; F236-F306 HydrophobicContact CD1-CZ 3.87Å; F236-F306 HydrophobicContact CG-CZ 4.37Å; F236-C310 HydrophobicContact CD1-CB 3.85Å; F236-C310 HydrophobicContact CE1-CB 3.83Å; F236-L313 HydrophobicContact CD1-CD1 4.24Å; F236-L313 HydrophobicContact CD2-CD1 4.13Å; F236-L313 HydrophobicContact CE1-CB 4.16Å; F236-L313 HydrophobicContact CE1-CD1 4.3Å; F236-L313 HydrophobicContact CE2-CB 4.44Å; F236-L313 HydrophobicContact CE2-CD1 4.18Å; F236-L313 HydrophobicContact CG-CD1 4.14Å; F236-L313 HydrophobicContact CZ-CB 3.9Å; F236-L313 HydrophobicContact CZ-CD1 4.25Å; F236-L314 HydrophobicContact CE1-CD2 3.98Å; F236-L314 HydrophobicContact CE1-CG 4.33Å; F236-L314 HydrophobicContact CZ-CD2 4.24Å; F236-I347 HydrophobicContact CD1-CD1 4.15Å; F236-I347 HydrophobicContact CD2-CD1 4.27Å; F236-I347 HydrophobicContact CE1-CD1 4.4Å; F236-I347 HydrophobicContact CG-CD1 4.1Å; F236-I350 HydrophobicContact CZ-CD1 4Å |
| 237 | D | 97.2 | Very high | 96 | Very high | 6 Ų | 6 | 27.6 Ų | 27.6 | 3% | 0.032 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -68.8 | -38.7 | 171.9 | -60.6 | -43.1 | 0 | 0 | 0 | 110.9 | G233 K234 I239 L240 V241 E271 K274 | G233-D237 PolarHBondContact O-N 2.78Å; K234-D237 CarbonylContact O-C 3.57Å; K234-D237 WeakPolarHBondContact O-CA 3.39Å; K234-D237 WeakPolarHBondContact O-CB 3.46Å; K234-D237 PolarHBondContact O-N 3.19Å; D237-I239 VanDerWaalsContact C-N 3.32Å; D237-I239 PolarHBondContact O-N 2.82Å; D237-L240 WeakPolarHBondContact O-CB 3.3Å; D237-L240 PolarHBondContact O-N 2.86Å; D237-L240 VanDerWaalsContact O-N 3.12Å; D237-V241 WeakPolarHBondContact O-CG2 3.49Å; D237-V241 PolarHBondContact O-N 3.09Å; D237-E271 WeakPolarHBondContact OD1-CA 3.5Å; D237-K274 WeakPolarHBondContact OD1-CD 3.48Å; D237-K274 VanDerWaalsContact OD1-CE 3.3Å; D237-K274 WeakPolarHBondContact OD1-CE 3.34Å; D237-K274 IonicContact OD1-NZ 2.69Å; D237-K274 PolarHBondContact OD1-NZ 2.93Å; D237-K274 IonicContact OD2-NZ 3.72Å; D237-K274 PolarHBondContact OD2-NZ 3.2Å |
| 238 | D | 95.4 | Very high | 96 | Very high | 32 Ų | 32 | 25.8 Ų | 25.8 | 17% | 0.171 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -61.8 | -39.7 | 178.3 | -70.6 | 11 | 0 | 0 | 0 | 111 | K234 V241 N242 Y267 | K234-D238 WeakPolarHBondContact CE-OD2 3.19Å; K234-D238 IonicContact NZ-OD1 3.58Å; K234-D238 PolarHBondContact NZ-OD1 3.33Å; K234-D238 IonicContact NZ-OD2 3.94Å; K234-D238 PolarHBondContact NZ-OD2 3.38Å; K234-D238 PolarHBondContact O-N 3.03Å; D238-V241 PolarHBondContact O-N 3.26Å; D238-N242 VanDerWaalsContact O-CB 3.24Å; D238-N242 WeakPolarHBondContact O-CB 3.28Å; D238-N242 PolarHBondContact O-N 2.96Å; D238-N242 PolarHBondContact O-ND2 3.06Å; D238-N242 PolarHBondContact O-OD1 3.16Å; D238-Y267 VanDerWaalsContact OD1-CE1 3.28Å; D238-Y267 WeakPolarHBondContact OD1-CE1 3.19Å; D238-Y267 PolarHBondContact OD1-OH 3.3Å |
| 239 | I | 97.3 | Very high | 96.1 | Very high | 39 Ų | 39 | 26.7 Ų | 26.7 | 20% | 0.2 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -60.8 | -44.9 | 172.5 | -71.1 | 176.9 | 0 | 0 | 0 | 111.5 | D235 D237 N242 H243 M309 C310 L313 | D235-I239 PolarHBondContact O-N 3.38Å; D237-I239 VanDerWaalsContact C-N 3.32Å; D237-I239 PolarHBondContact O-N 2.82Å; I239-N242 PolarHBondContact O-N 2.97Å; I239-H243 WeakPolarHBondContact O-CB 3.42Å; I239-H243 PolarHBondContact O-N 2.97Å; I239-M309 HydrophobicContact CG2-CB 3.88Å; I239-C310 HydrophobicContact CD1-CB 4.38Å; I239-L313 HydrophobicContact CD1-CD1 3.53Å; I239-L313 HydrophobicContact CD1-CG 3.91Å; I239-L313 HydrophobicContact CG1-CD1 4.42Å |
| 240 | L | 97.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64.9 | -45.9 | 177.6 | -69.9 | 173.9 | 0 | 0 | 0 | 112.1 | F236 D237 N242 H243 F244 C270 K274 M277 L301 F306 M309 | F236-L240 PolarHBondContact O-N 3.05Å; D237-L240 WeakPolarHBondContact O-CB 3.3Å; D237-L240 PolarHBondContact O-N 2.86Å; D237-L240 VanDerWaalsContact O-N 3.12Å; L240-N242 VanDerWaalsContact C-N 3.34Å; L240-N242 PolarHBondContact O-N 3.4Å; L240-H243 WeakPolarHBondContact O-CB 3.27Å; L240-H243 PolarHBondContact O-N 3.18Å; L240-F244 HydrophobicContact CD2-CE2 4.35Å; L240-F244 WeakPolarHBondContact O-CD2 3.41Å; L240-F244 PolarHBondContact O-N 2.93Å; L240-C270 HydrophobicContact CB-CB 3.81Å; L240-C270 HydrophobicContact CD1-CB 4.33Å; L240-K274 HydrophobicContact CD1-CB 3.9Å; L240-M277 HydrophobicContact CD1-CE 4.07Å; L240-M277 HydrophobicContact CD2-CE 4.19Å; L240-L301 HydrophobicContact CD2-CD2 3.26Å; L240-F306 HydrophobicContact CD1-CD2 4.21Å; L240-F306 HydrophobicContact CD1-CE2 3.94Å; L240-F306 HydrophobicContact CD2-CD2 3.66Å; L240-F306 HydrophobicContact CD2-CE2 4.15Å; L240-F306 HydrophobicContact CG-CD2 3.97Å; L240-F306 HydrophobicContact CG-CE2 3.93Å; L240-M309 HydrophobicContact CD2-CE 4.49Å |
| 241 | V | 96.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.6 | -41.8 | 177.4 | 170.8 | 0 | 0 | 0 | 0 | 110.7 | D237 D238 F244 C245 L263 L266 Y267 C270 | D237-V241 WeakPolarHBondContact O-CG2 3.49Å; D237-V241 PolarHBondContact O-N 3.09Å; D238-V241 PolarHBondContact O-N 3.26Å; V241-F244 PolarHBondContact O-N 2.77Å; V241-C245 VanDerWaalsContact O-CB 3.26Å; V241-C245 WeakPolarHBondContact O-CB 3.37Å; V241-C245 PolarHBondContact O-N 3.31Å; V241-C245 PolarHBondContact O-SG 3Å; V241-L263 HydrophobicContact CG1-CD1 3.74Å; V241-L266 HydrophobicContact CG1-CD2 4.22Å; V241-L266 HydrophobicContact CG2-CG 4.35Å; V241-Y267 HydrophobicContact CB-CE1 4.29Å; V241-Y267 HydrophobicContact CG1-CD2 4.49Å; V241-Y267 HydrophobicContact CG1-CE2 4.11Å; V241-Y267 HydrophobicContact CG2-CD1 3.62Å; V241-Y267 HydrophobicContact CG2-CD2 4.29Å; V241-Y267 HydrophobicContact CG2-CE1 3.76Å; V241-Y267 HydrophobicContact CG2-CE2 4.42Å; V241-Y267 HydrophobicContact CG2-CG 3.89Å; V241-C270 HydrophobicContact CG2-CB 3.89Å |
| 242 | N | 96.3 | Very high | 96.8 | Very high | 64 Ų | 64 | 37 Ų | 37 | 34% | 0.342 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -59.6 | -47.4 | 174.7 | -69.4 | -24.5 | 0 | 0 | 0 | 111.4 | D238 I239 L240 C245 E246 R257 | D238-N242 VanDerWaalsContact O-CB 3.24Å; D238-N242 WeakPolarHBondContact O-CB 3.28Å; D238-N242 PolarHBondContact O-N 2.96Å; D238-N242 PolarHBondContact O-ND2 3.06Å; D238-N242 PolarHBondContact O-OD1 3.16Å; I239-N242 PolarHBondContact O-N 2.97Å; L240-N242 VanDerWaalsContact C-N 3.34Å; L240-N242 PolarHBondContact O-N 3.4Å; N242-C245 PolarHBondContact O-N 2.93Å; N242-E246 PolarHBondContact O-N 3.41Å; N242-R257 PolarHBondContact OD1-NH2 3.4Å |
| 243 | H | 97.6 | Very high | 96.8 | Very high | 59 Ų | 59 | 44.8 Ų | 44.8 | 27% | 0.273 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -58.3 | -51.7 | 177.5 | 178.2 | 92.1 | 0 | 0 | 0 | 112.4 | I239 L240 E246 E247 M309 | I239-H243 WeakPolarHBondContact O-CB 3.42Å; I239-H243 PolarHBondContact O-N 2.97Å; L240-H243 WeakPolarHBondContact O-CB 3.27Å; L240-H243 PolarHBondContact O-N 3.18Å; H243-E246 WeakPolarHBondContact O-CB 3.3Å; H243-E246 PolarHBondContact O-N 2.95Å; H243-E247 PolarHBondContact O-N 3.26Å; H243-M309 HydrophobicContact CB-SD 4.15Å; H243-M309 PolarHBondContact ND1-SD 2.89Å |
| 244 | F | 97.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -72.9 | -30.8 | -178.8 | -68 | -62.4 | 0 | 0 | 0 | 113.2 | L240 V241 E246 E247 F248 L266 L273 L286 L301 | L240-F244 HydrophobicContact CD2-CE2 4.35Å; L240-F244 WeakPolarHBondContact O-CD2 3.41Å; L240-F244 PolarHBondContact O-N 2.93Å; V241-F244 PolarHBondContact O-N 2.77Å; F244-E246 VanDerWaalsContact C-N 3.3Å; F244-E246 PolarHBondContact O-N 2.9Å; F244-E247 PolarHBondContact O-N 2.81Å; F244-F248 HydrophobicContact CB-CD2 4.45Å; F244-F248 HydrophobicContact CB-CE2 4.01Å; F244-F248 HydrophobicContact CB-CZ 4.05Å; F244-F248 HydrophobicContact CD1-CE1 4.2Å; F244-F248 HydrophobicContact CD1-CZ 4.08Å; F244-F248 HydrophobicContact CG-CZ 4.35Å; F244-F248 VanDerWaalsContact O-CB 3.32Å; F244-F248 WeakPolarHBondContact O-CB 3.48Å; F244-F248 WeakPolarHBondContact O-CD2 3.5Å; F244-F248 WeakPolarHBondContact O-CG 3.34Å; F244-F248 PolarHBondContact O-N 2.9Å; F244-L266 HydrophobicContact CB-CD1 3.97Å; F244-L266 HydrophobicContact CB-CD2 4.13Å; F244-L273 HydrophobicContact CE2-CD2 3.71Å; F244-L273 HydrophobicContact CZ-CD2 3.8Å; F244-L286 HydrophobicContact CD1-CD2 4.49Å; F244-L286 HydrophobicContact CD2-CD1 4.08Å; F244-L286 HydrophobicContact CE2-CD1 3.84Å; F244-L286 HydrophobicContact CZ-CB 4.46Å; F244-L286 HydrophobicContact CZ-CD1 4.21Å; F244-L301 HydrophobicContact CZ-CB 4.25Å; F244-L301 HydrophobicContact CZ-CD2 4.42Å |
| 245 | C | 96.6 | Very high | 96.7 | Very high | 11 Ų | 11 | 47.2 Ų | 47.2 | 7% | 0.074 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -57.6 | -44.6 | 167.5 | -76.7 | 0 | 0 | 0 | 0 | 111.4 | V241 N242 A249 | V241-C245 VanDerWaalsContact O-CB 3.26Å; V241-C245 WeakPolarHBondContact O-CB 3.37Å; V241-C245 PolarHBondContact O-N 3.31Å; V241-C245 PolarHBondContact O-SG 3Å; N242-C245 PolarHBondContact O-N 2.93Å; C245-A249 VanDerWaalsContact O-CB 3.31Å; C245-A249 WeakPolarHBondContact O-CB 3.46Å; C245-A249 PolarHBondContact O-N 2.85Å |
| 246 | E | 97.3 | Very high | 96.5 | Very high | 112 Ų | 112 | 45.9 Ų | 45.9 | 52% | 0.523 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -67.9 | -42.7 | 176.3 | -82.5 | -164.5 | -133.6 | 0 | 0 | 113.1 | N242 H243 F244 K250 | N242-E246 PolarHBondContact O-N 3.41Å; H243-E246 WeakPolarHBondContact O-CB 3.3Å; H243-E246 PolarHBondContact O-N 2.95Å; F244-E246 VanDerWaalsContact C-N 3.3Å; F244-E246 PolarHBondContact O-N 2.9Å; E246-K250 WeakPolarHBondContact O-CB 3.2Å; E246-K250 VanDerWaalsContact O-CD 3.26Å; E246-K250 WeakPolarHBondContact O-CD 3.45Å; E246-K250 WeakPolarHBondContact O-CG 3.09Å; E246-K250 PolarHBondContact O-N 2.93Å; E246-K250 VanDerWaalsContact O-N 3.09Å; E246-K250 IonicContact OE2-NZ 2.8Å; E246-K250 PolarHBondContact OE2-NZ 2.81Å |
| 247 | E | 97.2 | Very high | 96.2 | Very high | 37 Ų | 37 | 51.5 Ų | 51.5 | 17% | 0.173 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.1 | -48.3 | 176 | -164.4 | -156.3 | 150.4 | 0 | 0 | 110.3 | H243 F244 A249 K250 K251 S299 | H243-E247 PolarHBondContact O-N 3.26Å; F244-E247 PolarHBondContact O-N 2.81Å; E247-A249 PolarHBondContact O-N 2.98Å; E247-K250 PolarHBondContact O-N 2.64Å; E247-K250 VanDerWaalsContact O-N 3.1Å; E247-K251 HydrophobicContact CG-CD 4.24Å; E247-K251 WeakPolarHBondContact O-CB 3.45Å; E247-K251 PolarHBondContact O-N 2.86Å; E247-K251 WeakPolarHBondContact OE1-CD 3.41Å; E247-K251 WeakPolarHBondContact OE1-CE 3.12Å; E247-K251 IonicContact OE1-NZ 3.64Å; E247-K251 PolarHBondContact OE1-NZ 2.97Å; E247-S299 VanDerWaalsContact CD-OG 3.28Å; E247-S299 PolarHBondContact OE1-OG 3.2Å; E247-S299 WeakPolarHBondContact OE2-CB 3.5Å; E247-S299 PolarHBondContact OE2-OG 3.01Å |
| 248 | F | 97.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -72.3 | -31.3 | -174.7 | -58.2 | -16 | 0 | 0 | 0 | 112.7 | F244 K250 Y252 K253 L254 V256 L266 L286 F291 V297 | F244-F248 HydrophobicContact CB-CD2 4.45Å; F244-F248 HydrophobicContact CB-CE2 4.01Å; F244-F248 HydrophobicContact CB-CZ 4.05Å; F244-F248 HydrophobicContact CD1-CE1 4.2Å; F244-F248 HydrophobicContact CD1-CZ 4.08Å; F244-F248 HydrophobicContact CG-CZ 4.35Å; F244-F248 VanDerWaalsContact O-CB 3.32Å; F244-F248 WeakPolarHBondContact O-CB 3.48Å; F244-F248 WeakPolarHBondContact O-CD2 3.5Å; F244-F248 WeakPolarHBondContact O-CG 3.34Å; F244-F248 PolarHBondContact O-N 2.9Å; F248-K250 VanDerWaalsContact C-N 3.34Å; F248-Y252 HydrophobicContact CB-CD2 4.2Å; F248-Y252 AromaticContact CD1-CD2 3.69Å; F248-Y252 HydrophobicContact CD1-CD2 3.69Å; F248-Y252 AromaticContact CD1-CE2 3.83Å; F248-Y252 HydrophobicContact CD1-CE2 3.83Å; F248-Y252 HydrophobicContact CE1-CD2 4.44Å; F248-Y252 HydrophobicContact CE1-CE2 4.14Å; F248-Y252 HydrophobicContact CG-CD2 4.14Å; F248-Y252 CarbonylContact O-C 3.54Å; F248-Y252 WeakPolarHBondContact O-CA 3.38Å; F248-Y252 PolarHBondContact O-N 2.99Å; F248-K253 PolarHBondContact O-N 3.12Å; F248-L254 PolarHBondContact O-N 2.87Å; F248-V256 HydrophobicContact CB-CG2 4.43Å; F248-V256 HydrophobicContact CD2-CG2 4.32Å; F248-L266 HydrophobicContact CE2-CD1 4Å; F248-L286 HydrophobicContact CE2-CD2 4.4Å; F248-L286 HydrophobicContact CZ-CD2 3.78Å; F248-F291 HydrophobicContact CD2-CD1 4.4Å; F248-F291 AromaticContact CD2-CE1 3.71Å; F248-F291 HydrophobicContact CD2-CE1 3.71Å; F248-F291 HydrophobicContact CD2-CZ 4.32Å; F248-F291 HydrophobicContact CE2-CE1 4.05Å; F248-F291 HydrophobicContact CE2-CZ 4.38Å; F248-V297 HydrophobicContact CD1-CB 4.35Å; F248-V297 HydrophobicContact CD1-CG1 4.43Å; F248-V297 HydrophobicContact CD2-CB 4.34Å; F248-V297 HydrophobicContact CD2-CG1 4.21Å; F248-V297 HydrophobicContact CD2-CG2 4.25Å; F248-V297 HydrophobicContact CE1-CB 4.03Å; F248-V297 HydrophobicContact CE1-CG2 4.43Å; F248-V297 HydrophobicContact CE2-CB 3.99Å; F248-V297 HydrophobicContact CE2-CG1 4.35Å; F248-V297 HydrophobicContact CE2-CG2 3.62Å; F248-V297 HydrophobicContact CG-CG1 4.24Å; F248-V297 HydrophobicContact CZ-CB 3.83Å; F248-V297 HydrophobicContact CZ-CG2 3.72Å |
| 249 | A | 96.8 | Very high | 95.7 | Very high | 48 Ų | 48 | 57.4 Ų | 57.4 | 40% | 0.397 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63.8 | -38.3 | 168 | 0 | 0 | 0 | 0 | 0 | 112.1 | C245 E247 K253 L254 | C245-A249 VanDerWaalsContact O-CB 3.31Å; C245-A249 WeakPolarHBondContact O-CB 3.46Å; C245-A249 PolarHBondContact O-N 2.85Å; E247-A249 PolarHBondContact O-N 2.98Å; A249-K253 WeakPolarHBondContact O-CA 3.42Å; A249-K253 WeakPolarHBondContact O-CD 3.44Å; A249-L254 PolarHBondContact N-O 3.26Å |
| 250 | K | 97.3 | Very high | 95.4 | Very high | 131 Ų | 131 | 57.9 Ų | 57.9 | 57% | 0.57 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -75.2 | -45.8 | 179 | -68.4 | 162.4 | -163.9 | 169.1 | 0 | 112.3 | E246 E247 F248 K253 | E246-K250 WeakPolarHBondContact O-CB 3.2Å; E246-K250 VanDerWaalsContact O-CD 3.26Å; E246-K250 WeakPolarHBondContact O-CD 3.45Å; E246-K250 WeakPolarHBondContact O-CG 3.09Å; E246-K250 PolarHBondContact O-N 2.93Å; E246-K250 VanDerWaalsContact O-N 3.09Å; E246-K250 IonicContact OE2-NZ 2.8Å; E246-K250 PolarHBondContact OE2-NZ 2.81Å; E247-K250 PolarHBondContact O-N 2.64Å; E247-K250 VanDerWaalsContact O-N 3.1Å; F248-K250 VanDerWaalsContact C-N 3.34Å; K250-K253 PolarHBondContact O-NZ 3.41Å |
| 251 | K | 96.9 | Very high | 95.1 | Very high | 103 Ų | 103 | 64.6 Ų | 64.6 | 45% | 0.448 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -88.9 | -49.3 | -169.6 | -175.7 | 177.9 | 178.8 | -174.3 | 0 | 113.7 | E247 S298 | E247-K251 HydrophobicContact CG-CD 4.24Å; E247-K251 WeakPolarHBondContact O-CB 3.45Å; E247-K251 PolarHBondContact O-N 2.86Å; E247-K251 WeakPolarHBondContact OE1-CD 3.41Å; E247-K251 WeakPolarHBondContact OE1-CE 3.12Å; E247-K251 IonicContact OE1-NZ 3.64Å; E247-K251 PolarHBondContact OE1-NZ 2.97Å; K251-S298 PolarHBondContact NZ-O 3.34Å |
| 252 | Y | 95.6 | Very high | 94.9 | Very high | 60 Ų | 60 | 64.8 Ų | 64.8 | 24% | 0.235 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | -5.6 | -175.2 | -61.1 | -76.2 | 0 | 0 | 0 | 113.7 | F248 L254 I295 V297 S298 | F248-Y252 HydrophobicContact CB-CD2 4.2Å; F248-Y252 AromaticContact CD1-CD2 3.69Å; F248-Y252 HydrophobicContact CD1-CD2 3.69Å; F248-Y252 AromaticContact CD1-CE2 3.83Å; F248-Y252 HydrophobicContact CD1-CE2 3.83Å; F248-Y252 HydrophobicContact CE1-CD2 4.44Å; F248-Y252 HydrophobicContact CE1-CE2 4.14Å; F248-Y252 HydrophobicContact CG-CD2 4.14Å; F248-Y252 CarbonylContact O-C 3.54Å; F248-Y252 WeakPolarHBondContact O-CA 3.38Å; F248-Y252 PolarHBondContact O-N 2.99Å; Y252-L254 PolarHBondContact O-N 2.99Å; Y252-I295 HydrophobicContact CD1-CG2 3.88Å; Y252-I295 HydrophobicContact CG-CG2 4.45Å; Y252-V297 HydrophobicContact CD1-CG1 4.46Å; Y252-V297 HydrophobicContact CD2-CB 4.19Å; Y252-V297 HydrophobicContact CD2-CG1 3.65Å; Y252-V297 HydrophobicContact CE2-CB 3.86Å; Y252-V297 HydrophobicContact CE2-CG1 3.83Å; Y252-V297 HydrophobicContact CG-CG1 4Å; Y252-S298 PolarHBondContact OH-N 2.9Å; Y252-S298 PolarHBondContact OH-O 2.87Å; Y252-S298 VanDerWaalsContact OH-O 3.12Å |
| 253 | K | 96.2 | Very high | 94.8 | Very high | 164 Ų | 164 | 62.9 Ų | 62.9 | 71% | 0.713 | 30% | 0.298 | S | S | * | . | trans | 60.2 | 28.7 | -174.5 | -47.5 | -50.7 | -175.9 | -167.3 | 0 | 113.9 | F248 A249 K250 | F248-K253 PolarHBondContact O-N 3.12Å; A249-K253 WeakPolarHBondContact O-CA 3.42Å; A249-K253 WeakPolarHBondContact O-CD 3.44Å; K250-K253 PolarHBondContact O-NZ 3.41Å | ||
| 254 | L | 95.1 | Very high | 94.5 | Very high | 3 Ų | 3 | 60.5 Ų | 60.5 | 2% | 0.016 | 29% | 0.287 | C | S | . | . | trans | -94.4 | 120.6 | -179.3 | -63.6 | 175.6 | 0 | 0 | 0 | 111.6 | F248 A249 Y252 V256 F291 M292 I295 V297 | F248-L254 PolarHBondContact O-N 2.87Å; A249-L254 PolarHBondContact N-O 3.26Å; Y252-L254 PolarHBondContact O-N 2.99Å; L254-V256 PolarHBondContact O-N 2.67Å; L254-F291 HydrophobicContact CD1-CD1 4.03Å; L254-M292 HydrophobicContact CB-SD 4.28Å; L254-M292 HydrophobicContact CD1-CB 4.31Å; L254-M292 HydrophobicContact CD2-CB 4.1Å; L254-M292 HydrophobicContact CD2-CE 4.36Å; L254-M292 HydrophobicContact CD2-CG 3.95Å; L254-M292 HydrophobicContact CD2-SD 4.12Å; L254-I295 HydrophobicContact CD1-CG2 4.26Å; L254-I295 HydrophobicContact CD2-CD1 4.17Å; L254-V297 HydrophobicContact CD1-CG1 3.74Å | ||
| 255 | D | 94 | Very high | 94.4 | Very high | 91 Ų | 91 | 63.7 Ų | 63.7 | 49% | 0.487 | 30% | 0.299 | S | S | . | . | trans | -86.2 | 90.1 | 163.9 | 179.3 | 1 | 0 | 0 | 0 | 110.2 | R257 S258 | D255-R257 VanDerWaalsContact C-N 3.29Å; D255-R257 PolarHBondContact O-N 2.87Å; D255-R257 PolarHBondContact OD1-N 3.28Å; D255-S258 PolarHBondContact O-N 2.93Å; D255-S258 PolarHBondContact O-OG 3.36Å; D255-S258 PolarHBondContact OD1-N 3.4Å; D255-S258 VanDerWaalsContact OD1-N 3.11Å; D255-S258 WeakPolarHBondContact OD2-CB 3.42Å | ||
| 256 | V | 92.9 | Very high | 94.3 | Very high | 2 Ų | 2 | 63.2 Ų | 63.2 | 1% | 0.012 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -61.9 | -34.5 | 177.8 | -172.5 | 0 | 0 | 0 | 0 | 112.3 | F248 L254 S258 K259 A262 L263 L266 F291 | F248-V256 HydrophobicContact CB-CG2 4.43Å; F248-V256 HydrophobicContact CD2-CG2 4.32Å; L254-V256 PolarHBondContact O-N 2.67Å; V256-S258 VanDerWaalsContact C-N 3.29Å; V256-S258 PolarHBondContact O-N 2.96Å; V256-K259 PolarHBondContact O-N 3.13Å; V256-K259 VanDerWaalsContact O-N 3.11Å; V256-A262 HydrophobicContact CG1-CB 4.18Å; V256-L263 HydrophobicContact CG1-CB 4.31Å; V256-L263 HydrophobicContact CG1-CD1 4.35Å; V256-L266 HydrophobicContact CG1-CD2 4.03Å; V256-F291 HydrophobicContact CG1-CE1 4.23Å; V256-F291 HydrophobicContact CG1-CZ 3.7Å; V256-F291 HydrophobicContact CG2-CE1 3.65Å; V256-F291 HydrophobicContact CG2-CZ 3.96Å |
| 257 | R | 90.7 | Very high | 94.2 | Very high | 120 Ų | 120 | 60.3 Ų | 60.3 | 45% | 0.453 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -31.6 | -176.3 | -63.4 | -171.6 | -170.7 | -92.2 | -1.4 | 111.5 | N242 D255 K259 | N242-R257 PolarHBondContact OD1-NH2 3.4Å; D255-R257 VanDerWaalsContact C-N 3.29Å; D255-R257 PolarHBondContact O-N 2.87Å; D255-R257 PolarHBondContact OD1-N 3.28Å; R257-K259 PolarHBondContact O-N 3.49Å |
| 258 | S | 90.3 | Very high | 94.1 | Very high | 60 Ų | 60 | 61 Ų | 61 | 42% | 0.42 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -16 | 173.5 | 77.4 | 0 | 0 | 0 | 0 | 114.9 | D255 V256 | D255-S258 PolarHBondContact O-N 2.93Å; D255-S258 PolarHBondContact O-OG 3.36Å; D255-S258 PolarHBondContact OD1-N 3.4Å; D255-S258 VanDerWaalsContact OD1-N 3.11Å; D255-S258 WeakPolarHBondContact OD2-CB 3.42Å; V256-S258 VanDerWaalsContact C-N 3.29Å; V256-S258 PolarHBondContact O-N 2.96Å |
| 259 | K | 91.4 | Very high | 94.1 | Very high | 101 Ų | 101 | 63.1 Ų | 63.1 | 44% | 0.439 | 29% | 0.293 | S | S | . | . | trans | -123.1 | 94 | -173.9 | -59.7 | -55.6 | 176.6 | -176.4 | 0 | 111.4 | V256 R257 R261 A262 L263 M292 | V256-K259 PolarHBondContact O-N 3.13Å; V256-K259 VanDerWaalsContact O-N 3.11Å; R257-K259 PolarHBondContact O-N 3.49Å; K259-R261 VanDerWaalsContact C-N 3.27Å; K259-R261 PolarHBondContact O-N 3.24Å; K259-R261 VanDerWaalsContact O-N 3.1Å; K259-A262 HydrophobicContact CB-CB 4.01Å; K259-A262 WeakPolarHBondContact O-CB 3.38Å; K259-A262 PolarHBondContact O-N 3.36Å; K259-L263 PolarHBondContact O-N 2.91Å; K259-M292 HydrophobicContact CB-SD 4.19Å; K259-M292 HydrophobicContact CG-CE 3.62Å; K259-M292 HydrophobicContact CG-CG 4.28Å; K259-M292 HydrophobicContact CG-SD 3.61Å | ||
| 260 | P | 90.5 | Very high | 94.1 | Very high | 49 Ų | 49 | 60.8 Ų | 60.8 | 32% | 0.318 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -56.4 | -33.8 | -175.3 | -27.9 | 34.5 | 0 | 0 | 0 | 115.2 | V88 L263 V264 | V88-P260 HydrophobicContact CB-CB 4.45Å; V88-P260 HydrophobicContact CG1-CB 3.58Å; V88-P260 HydrophobicContact CG2-CB 4.12Å; P260-L263 PolarHBondContact O-N 3.34Å; P260-V264 WeakPolarHBondContact O-CB 3.43Å; P260-V264 VanDerWaalsContact O-CG2 3.26Å; P260-V264 WeakPolarHBondContact O-CG2 3.17Å; P260-V264 PolarHBondContact O-N 3.21Å |
| 261 | R | 91.8 | Very high | 94.1 | Very high | 141 Ų | 141 | 55.8 Ų | 55.8 | 53% | 0.532 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -64.5 | -37.6 | 174.9 | -64.4 | -176.8 | 70.3 | -166.6 | -2.9 | 112.7 | V57 K259 R265 | V57-R261 WeakPolarHBondContact O-CG 3.49Å; V57-R261 PolarHBondContact O-NE 3.26Å; K259-R261 VanDerWaalsContact C-N 3.27Å; K259-R261 PolarHBondContact O-N 3.24Å; K259-R261 VanDerWaalsContact O-N 3.1Å; R261-R265 WeakPolarHBondContact O-CG 3.45Å; R261-R265 PolarHBondContact O-N 3.24Å |
| 262 | A | 93.5 | Very high | 94 | Very high | 5 Ų | 5 | 56 Ų | 56 | 4% | 0.041 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -72.6 | -42.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111 | V256 K259 V264 R265 L266 F291 M292 | V256-A262 HydrophobicContact CG1-CB 4.18Å; K259-A262 HydrophobicContact CB-CB 4.01Å; K259-A262 WeakPolarHBondContact O-CB 3.38Å; K259-A262 PolarHBondContact O-N 3.36Å; A262-V264 PolarHBondContact O-N 2.96Å; A262-R265 PolarHBondContact O-N 2.93Å; A262-L266 PolarHBondContact O-N 3.42Å; A262-F291 HydrophobicContact CB-CD2 4.48Å; A262-F291 HydrophobicContact CB-CE2 4.05Å; A262-F291 HydrophobicContact CB-CZ 4.12Å; A262-F291 VanDerWaalsContact O-CE2 3.29Å; A262-F291 WeakPolarHBondContact O-CE2 3.48Å; A262-M292 HydrophobicContact CB-CB 4.38Å |
| 263 | L | 92.8 | Very high | 94.1 | Very high | 24 Ų | 24 | 53.3 Ų | 53.3 | 13% | 0.126 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59 | -45 | 176.1 | -174.5 | 61.7 | 0 | 0 | 0 | 112.2 | V241 V256 K259 P260 L266 Y267 | V241-L263 HydrophobicContact CG1-CD1 3.74Å; V256-L263 HydrophobicContact CG1-CB 4.31Å; V256-L263 HydrophobicContact CG1-CD1 4.35Å; K259-L263 PolarHBondContact O-N 2.91Å; P260-L263 PolarHBondContact O-N 3.34Å; L263-L266 PolarHBondContact O-N 3.21Å; L263-Y267 HydrophobicContact CD1-CD2 4.23Å; L263-Y267 HydrophobicContact CD1-CE2 3.94Å; L263-Y267 HydrophobicContact CD2-CE2 4.44Å; L263-Y267 HydrophobicContact CG-CD2 4.07Å; L263-Y267 HydrophobicContact CG-CE2 3.92Å; L263-Y267 VanDerWaalsContact O-CD2 3.3Å; L263-Y267 WeakPolarHBondContact O-CD2 3.31Å; L263-Y267 PolarHBondContact O-N 2.83Å |
| 264 | V | 92.9 | Very high | 94.2 | Very high | 8 Ų | 8 | 46.2 Ų | 46.2 | 5% | 0.048 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.9 | -41.5 | 176.5 | 170.9 | 0 | 0 | 0 | 0 | 111.9 | V56 V57 V88 P260 A262 Y267 Q268 | V56-V264 HydrophobicContact CB-CG1 4.46Å; V56-V264 HydrophobicContact CG1-CG1 3.86Å; V56-V264 HydrophobicContact CG2-CG1 3.96Å; V57-V264 HydrophobicContact CG2-CG1 3.98Å; V88-V264 HydrophobicContact CG2-CG2 3.98Å; P260-V264 WeakPolarHBondContact O-CB 3.43Å; P260-V264 VanDerWaalsContact O-CG2 3.26Å; P260-V264 WeakPolarHBondContact O-CG2 3.17Å; P260-V264 PolarHBondContact O-N 3.21Å; A262-V264 PolarHBondContact O-N 2.96Å; V264-Y267 PolarHBondContact O-N 3.26Å; V264-Q268 WeakPolarHBondContact O-CG 3.24Å; V264-Q268 PolarHBondContact O-N 2.94Å; V264-Q268 VanDerWaalsContact O-N 3.16Å |
| 265 | R | 94.6 | Very high | 94.3 | Very high | 68 Ų | 68 | 51.8 Ų | 51.8 | 26% | 0.257 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -62.1 | -43.5 | 173.9 | -71.2 | 173.6 | 74.8 | -166.8 | 5.2 | 111.4 | V57 R261 A262 Y267 Q268 E269 E289 C290 F291 | V57-R265 HydrophobicContact CG1-CG 3.7Å; V57-R265 HydrophobicContact CG2-CG 3.98Å; R261-R265 WeakPolarHBondContact O-CG 3.45Å; R261-R265 PolarHBondContact O-N 3.24Å; A262-R265 PolarHBondContact O-N 2.93Å; R265-Y267 PolarHBondContact O-N 3.32Å; R265-Q268 PolarHBondContact O-N 3.33Å; R265-Q268 VanDerWaalsContact O-N 3.16Å; R265-E269 PolarHBondContact O-N 2.84Å; R265-E269 VanDerWaalsContact O-N 3.08Å; R265-E289 PolarHBondContact NH1-O 2.92Å; R265-E289 PolarHBondContact NH2-O 2.67Å; R265-C290 PolarHBondContact NH1-O 2.72Å; R265-F291 HydrophobicContact CB-CE2 4.44Å |
| 266 | L | 95.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62 | -42.5 | 177.6 | -173.1 | 56.8 | 0 | 0 | 0 | 111.7 | V241 F244 F248 V256 A262 L263 Q268 E269 C270 L286 I288 F291 | V241-L266 HydrophobicContact CG1-CD2 4.22Å; V241-L266 HydrophobicContact CG2-CG 4.35Å; F244-L266 HydrophobicContact CB-CD1 3.97Å; F244-L266 HydrophobicContact CB-CD2 4.13Å; F248-L266 HydrophobicContact CE2-CD1 4Å; V256-L266 HydrophobicContact CG1-CD2 4.03Å; A262-L266 PolarHBondContact O-N 3.42Å; L263-L266 PolarHBondContact O-N 3.21Å; L266-Q268 VanDerWaalsContact C-N 3.32Å; L266-Q268 PolarHBondContact O-N 2.84Å; L266-E269 PolarHBondContact O-N 2.89Å; L266-C270 WeakPolarHBondContact O-CB 3.37Å; L266-C270 PolarHBondContact O-N 3.42Å; L266-C270 PolarHBondContact O-SG 2.93Å; L266-L286 HydrophobicContact CD1-CD2 4.4Å; L266-I288 HydrophobicContact CD1-CD1 4Å; L266-F291 HydrophobicContact CB-CE2 4.1Å; L266-F291 HydrophobicContact CB-CZ 4.02Å; L266-F291 HydrophobicContact CD2-CZ 4.36Å |
| 267 | Y | 94.7 | Very high | 94.7 | Very high | 51 Ų | 51 | 51.7 Ų | 51.7 | 20% | 0.2 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -55.4 | -44.2 | 172.4 | -91.7 | -71.2 | 0 | 0 | 0 | 112.7 | D238 V241 L263 V264 R265 C270 E271 | D238-Y267 VanDerWaalsContact OD1-CE1 3.28Å; D238-Y267 WeakPolarHBondContact OD1-CE1 3.19Å; D238-Y267 PolarHBondContact OD1-OH 3.3Å; V241-Y267 HydrophobicContact CB-CE1 4.29Å; V241-Y267 HydrophobicContact CG1-CD2 4.49Å; V241-Y267 HydrophobicContact CG1-CE2 4.11Å; V241-Y267 HydrophobicContact CG2-CD1 3.62Å; V241-Y267 HydrophobicContact CG2-CD2 4.29Å; V241-Y267 HydrophobicContact CG2-CE1 3.76Å; V241-Y267 HydrophobicContact CG2-CE2 4.42Å; V241-Y267 HydrophobicContact CG2-CG 3.89Å; L263-Y267 HydrophobicContact CD1-CD2 4.23Å; L263-Y267 HydrophobicContact CD1-CE2 3.94Å; L263-Y267 HydrophobicContact CD2-CE2 4.44Å; L263-Y267 HydrophobicContact CG-CD2 4.07Å; L263-Y267 HydrophobicContact CG-CE2 3.92Å; L263-Y267 VanDerWaalsContact O-CD2 3.3Å; L263-Y267 WeakPolarHBondContact O-CD2 3.31Å; L263-Y267 PolarHBondContact O-N 2.83Å; V264-Y267 PolarHBondContact O-N 3.26Å; R265-Y267 PolarHBondContact O-N 3.32Å; Y267-C270 PolarHBondContact O-N 3.5Å; Y267-E271 WeakPolarHBondContact O-CB 3.42Å; Y267-E271 PolarHBondContact O-N 2.89Å |
| 268 | Q | 94.7 | Very high | 95 | Very high | 51 Ų | 51 | 47.3 Ų | 47.3 | 24% | 0.238 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.2 | -41.6 | 178.8 | -69.9 | 176 | -28.1 | 0 | 0 | 112.4 | V56 V264 R265 L266 K272 | V56-Q268 VanDerWaalsContact CG1-NE2 3.27Å; V264-Q268 WeakPolarHBondContact O-CG 3.24Å; V264-Q268 PolarHBondContact O-N 2.94Å; V264-Q268 VanDerWaalsContact O-N 3.16Å; R265-Q268 PolarHBondContact O-N 3.33Å; R265-Q268 VanDerWaalsContact O-N 3.16Å; L266-Q268 VanDerWaalsContact C-N 3.32Å; L266-Q268 PolarHBondContact O-N 2.84Å; Q268-K272 WeakPolarHBondContact O-CD 3.29Å; Q268-K272 VanDerWaalsContact O-CG 3.32Å; Q268-K272 WeakPolarHBondContact O-CG 3.33Å; Q268-K272 PolarHBondContact O-N 3.18Å; Q268-K272 VanDerWaalsContact O-N 3.14Å |
| 269 | E | 96.8 | Very high | 95.2 | Very high | 45 Ų | 45 | 48.2 Ų | 48.2 | 21% | 0.21 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -74.6 | -34.2 | 177.9 | -56.2 | -40.3 | 121.1 | 0 | 0 | 112.9 | R265 L266 K272 L273 L286 I288 | R265-E269 PolarHBondContact O-N 2.84Å; R265-E269 VanDerWaalsContact O-N 3.08Å; L266-E269 PolarHBondContact O-N 2.89Å; E269-K272 PolarHBondContact O-N 2.94Å; E269-K272 IonicContact OE1-NZ 3.18Å; E269-K272 PolarHBondContact OE1-NZ 3.44Å; E269-K272 WeakPolarHBondContact OE2-CD 3.48Å; E269-K272 IonicContact OE2-NZ 2.77Å; E269-K272 PolarHBondContact OE2-NZ 2.97Å; E269-L273 VanDerWaalsContact O-CB 3.28Å; E269-L273 WeakPolarHBondContact O-CB 3.5Å; E269-L273 PolarHBondContact O-N 3.19Å; E269-L286 HydrophobicContact CB-CD1 3.96Å; E269-L286 HydrophobicContact CB-CG 4.3Å; E269-I288 HydrophobicContact CB-CD1 4.01Å; E269-I288 HydrophobicContact CB-CG1 4.46Å; E269-I288 HydrophobicContact CG-CD1 3.71Å; E269-I288 HydrophobicContact CG-CG1 3.95Å |
| 270 | C | 97.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.8 | -42 | 171.1 | -69 | 0 | 0 | 0 | 0 | 112 | L240 V241 L266 Y267 K272 L273 K274 | L240-C270 HydrophobicContact CB-CB 3.81Å; L240-C270 HydrophobicContact CD1-CB 4.33Å; V241-C270 HydrophobicContact CG2-CB 3.89Å; L266-C270 WeakPolarHBondContact O-CB 3.37Å; L266-C270 PolarHBondContact O-N 3.42Å; L266-C270 PolarHBondContact O-SG 2.93Å; Y267-C270 PolarHBondContact O-N 3.5Å; C270-K272 PolarHBondContact O-N 3.47Å; C270-L273 PolarHBondContact O-N 3.06Å; C270-K274 WeakPolarHBondContact O-CB 3.25Å; C270-K274 PolarHBondContact O-N 2.71Å |
| 271 | E | 96.4 | Very high | 95.6 | Very high | 26 Ų | 26 | 48.5 Ų | 48.5 | 12% | 0.121 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.9 | -43.6 | 176.4 | -165.5 | -154 | 158.7 | 0 | 0 | 111.6 | Q11 D237 Y267 K275 | Q11-E271 PolarHBondContact NE2-OE1 2.98Å; Q11-E271 PolarHBondContact NE2-OE2 2.84Å; D237-E271 WeakPolarHBondContact OD1-CA 3.5Å; Y267-E271 WeakPolarHBondContact O-CB 3.42Å; Y267-E271 PolarHBondContact O-N 2.89Å; E271-K275 WeakPolarHBondContact O-CG 3.42Å; E271-K275 PolarHBondContact O-N 2.91Å; E271-K275 VanDerWaalsContact O-N 3.16Å; E271-K275 WeakPolarHBondContact OE1-CE 3.42Å; E271-K275 IonicContact OE1-NZ 3.78Å; E271-K275 PolarHBondContact OE1-NZ 2.93Å |
| 272 | K | 96.8 | Very high | 95.7 | Very high | 107 Ų | 107 | 45 Ų | 45 | 47% | 0.465 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -61.6 | -48.2 | 173.2 | -72.1 | 162.9 | 175.8 | 175.7 | 0 | 111.2 | Q268 E269 C270 K274 K275 L276 | Q268-K272 WeakPolarHBondContact O-CD 3.29Å; Q268-K272 VanDerWaalsContact O-CG 3.32Å; Q268-K272 WeakPolarHBondContact O-CG 3.33Å; Q268-K272 PolarHBondContact O-N 3.18Å; Q268-K272 VanDerWaalsContact O-N 3.14Å; E269-K272 PolarHBondContact O-N 2.94Å; E269-K272 IonicContact OE1-NZ 3.18Å; E269-K272 PolarHBondContact OE1-NZ 3.44Å; E269-K272 WeakPolarHBondContact OE2-CD 3.48Å; E269-K272 IonicContact OE2-NZ 2.77Å; E269-K272 PolarHBondContact OE2-NZ 2.97Å; C270-K272 PolarHBondContact O-N 3.47Å; K272-K274 PolarHBondContact O-N 3.29Å; K272-K275 WeakPolarHBondContact O-CB 3.48Å; K272-K275 PolarHBondContact O-N 2.98Å; K272-K275 VanDerWaalsContact O-N 3.14Å; K272-L276 WeakPolarHBondContact O-CG 3.37Å; K272-L276 PolarHBondContact O-N 3.06Å |
| 273 | L | 97.8 | Very high | 95.8 | Very high | 4 Ų | 4 | 48.2 Ų | 48.2 | 2% | 0.021 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.1 | -44.5 | -179.5 | -174.4 | 67.5 | 0 | 0 | 0 | 111.5 | F244 E269 C270 K275 L276 M277 L284 L286 L301 | F244-L273 HydrophobicContact CE2-CD2 3.71Å; F244-L273 HydrophobicContact CZ-CD2 3.8Å; E269-L273 VanDerWaalsContact O-CB 3.28Å; E269-L273 WeakPolarHBondContact O-CB 3.5Å; E269-L273 PolarHBondContact O-N 3.19Å; C270-L273 PolarHBondContact O-N 3.06Å; L273-K275 VanDerWaalsContact C-N 3.33Å; L273-K275 PolarHBondContact O-N 3.35Å; L273-L276 PolarHBondContact O-N 3.28Å; L273-M277 HydrophobicContact CG-CE 4.15Å; L273-M277 HydrophobicContact CG-SD 4.48Å; L273-M277 WeakPolarHBondContact O-CB 3.25Å; L273-M277 WeakPolarHBondContact O-CG 3.38Å; L273-M277 PolarHBondContact O-N 3.48Å; L273-L284 HydrophobicContact CD1-CB 3.7Å; L273-L284 HydrophobicContact CD1-CD1 4.45Å; L273-L286 HydrophobicContact CD2-CB 4.34Å; L273-L286 HydrophobicContact CD2-CD1 3.98Å; L273-L301 HydrophobicContact CD2-CB 4.08Å; L273-L301 HydrophobicContact CD2-CD2 4.3Å |
| 274 | K | 97.7 | Very high | 96 | Very high | 15 Ų | 15 | 48.1 Ų | 48.1 | 7% | 0.065 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -56.8 | -43.4 | 173.4 | -175.2 | -174.6 | 73.2 | -157.3 | 0 | 112.4 | G233 F236 D237 L240 C270 K272 S278 F306 I347 | G233-K274 PolarHBondContact O-NZ 3.46Å; F236-K274 HydrophobicContact CB-CD 3.81Å; D237-K274 WeakPolarHBondContact OD1-CD 3.48Å; D237-K274 VanDerWaalsContact OD1-CE 3.3Å; D237-K274 WeakPolarHBondContact OD1-CE 3.34Å; D237-K274 IonicContact OD1-NZ 2.69Å; D237-K274 PolarHBondContact OD1-NZ 2.93Å; D237-K274 IonicContact OD2-NZ 3.72Å; D237-K274 PolarHBondContact OD2-NZ 3.2Å; L240-K274 HydrophobicContact CD1-CB 3.9Å; C270-K274 WeakPolarHBondContact O-CB 3.25Å; C270-K274 PolarHBondContact O-N 2.71Å; K272-K274 PolarHBondContact O-N 3.29Å; K274-S278 PolarHBondContact O-N 2.85Å; K274-S278 VanDerWaalsContact O-N 3.1Å; K274-S278 PolarHBondContact O-OG 2.86Å; K274-F306 HydrophobicContact CD-CZ 4.37Å; K274-F306 HydrophobicContact CG-CE1 4.4Å; K274-F306 HydrophobicContact CG-CZ 3.86Å; K274-I347 HydrophobicContact CD-CD1 4.41Å |
| 275 | K | 97.1 | Very high | 96.2 | Very high | 120 Ų | 120 | 51.8 Ų | 51.8 | 52% | 0.522 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -66.5 | -43.7 | 176.7 | -74 | 170 | 171 | 177.5 | 0 | 111.6 | E271 K272 L273 S278 | E271-K275 WeakPolarHBondContact O-CG 3.42Å; E271-K275 PolarHBondContact O-N 2.91Å; E271-K275 VanDerWaalsContact O-N 3.16Å; E271-K275 WeakPolarHBondContact OE1-CE 3.42Å; E271-K275 IonicContact OE1-NZ 3.78Å; E271-K275 PolarHBondContact OE1-NZ 2.93Å; K272-K275 WeakPolarHBondContact O-CB 3.48Å; K272-K275 PolarHBondContact O-N 2.98Å; K272-K275 VanDerWaalsContact O-N 3.14Å; L273-K275 VanDerWaalsContact C-N 3.33Å; L273-K275 PolarHBondContact O-N 3.35Å; K275-S278 WeakPolarHBondContact O-CB 3.5Å; K275-S278 PolarHBondContact O-N 3.33Å; K275-S278 VanDerWaalsContact O-N 3.16Å |
| 276 | L | 97.3 | Very high | 96.3 | Very high | 88 Ų | 88 | 48.8 Ų | 48.8 | 46% | 0.461 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -65.1 | -39 | 176.3 | -68.4 | 170.7 | 0 | 0 | 0 | 112.5 | K272 L273 S278 A279 N280 L284 | K272-L276 WeakPolarHBondContact O-CG 3.37Å; K272-L276 PolarHBondContact O-N 3.06Å; L273-L276 PolarHBondContact O-N 3.28Å; L276-S278 VanDerWaalsContact C-N 3.25Å; L276-S278 PolarHBondContact O-N 2.99Å; L276-A279 PolarHBondContact O-N 3.01Å; L276-N280 PolarHBondContact O-N 3.39Å; L276-N280 PolarHBondContact O-ND2 3.1Å; L276-L284 HydrophobicContact CB-CD1 3.66Å |
| 277 | M | 97.2 | Very high | 96.3 | Very high | 2 Ų | 2 | 53.3 Ų | 53.3 | 1% | 0.01 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -66.2 | -24.4 | 173 | -74.7 | -172.6 | -58.6 | 0 | 0 | 112.9 | L240 L273 A279 N280 L284 L301 R303 F306 | L240-M277 HydrophobicContact CD1-CE 4.07Å; L240-M277 HydrophobicContact CD2-CE 4.19Å; L273-M277 HydrophobicContact CG-CE 4.15Å; L273-M277 HydrophobicContact CG-SD 4.48Å; L273-M277 WeakPolarHBondContact O-CB 3.25Å; L273-M277 WeakPolarHBondContact O-CG 3.38Å; L273-M277 PolarHBondContact O-N 3.48Å; M277-A279 VanDerWaalsContact C-N 3.26Å; M277-A279 PolarHBondContact O-N 3.26Å; M277-N280 CarbonylContact C-O 3.57Å; M277-N280 WeakPolarHBondContact CA-O 3.48Å; M277-L284 HydrophobicContact CB-CD1 4.37Å; M277-L284 HydrophobicContact CG-CD1 3.68Å; M277-L301 HydrophobicContact CE-CD2 4.12Å; M277-L301 HydrophobicContact SD-CB 4.44Å; M277-L301 HydrophobicContact SD-CD2 4Å; M277-L301 HydrophobicContact SD-CG 4.21Å; M277-R303 VanDerWaalsContact O-CZ 3.27Å; M277-R303 PolarHBondContact O-NE 3.44Å; M277-R303 PolarHBondContact O-NH2 3.41Å; M277-F306 HydrophobicContact CE-CB 3.68Å; M277-F306 HydrophobicContact CE-CD1 3.66Å; M277-F306 HydrophobicContact CE-CD2 3.71Å; M277-F306 HydrophobicContact CE-CE1 4.19Å; M277-F306 HydrophobicContact CE-CE2 4.22Å; M277-F306 HydrophobicContact CE-CG 3.38Å; M277-F306 HydrophobicContact CE-CZ 4.44Å; M277-F306 HydrophobicContact SD-CB 3.61Å; M277-F306 HydrophobicContact SD-CD1 4.23Å; M277-F306 HydrophobicContact SD-CG 3.97Å |
| 278 | S | 96.4 | Very high | 96.3 | Very high | 29 Ų | 29 | 51.3 Ų | 51.3 | 20% | 0.203 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -69.1 | -26.9 | 174.7 | -58 | 0 | 0 | 0 | 0 | 112.1 | K274 K275 L276 R303 | K274-S278 PolarHBondContact O-N 2.85Å; K274-S278 VanDerWaalsContact O-N 3.1Å; K274-S278 PolarHBondContact O-OG 2.86Å; K275-S278 WeakPolarHBondContact O-CB 3.5Å; K275-S278 PolarHBondContact O-N 3.33Å; K275-S278 VanDerWaalsContact O-N 3.16Å; L276-S278 VanDerWaalsContact C-N 3.25Å; L276-S278 PolarHBondContact O-N 2.99Å; S278-R303 PolarHBondContact O-NH2 3.37Å |
| 279 | A | 95.9 | Very high | 96.3 | Very high | 78 Ų | 78 | 56.1 Ų | 56.1 | 65% | 0.645 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -91 | -52.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L276 M277 R303 | L276-A279 PolarHBondContact O-N 3.01Å; M277-A279 VanDerWaalsContact C-N 3.26Å; M277-A279 PolarHBondContact O-N 3.26Å; A279-R303 PolarHBondContact O-NH2 2.98Å |
| 280 | N | 95.8 | Very high | 96.1 | Very high | 73 Ų | 73 | 57.7 Ų | 57.7 | 39% | 0.39 | 33% | 0.325 | S | S | . | . | trans | -101.5 | 144.3 | -172 | -51.2 | -82 | 0 | 0 | 0 | 112 | L276 M277 L284 R303 | L276-N280 PolarHBondContact O-N 3.39Å; L276-N280 PolarHBondContact O-ND2 3.1Å; M277-N280 CarbonylContact C-O 3.57Å; M277-N280 WeakPolarHBondContact CA-O 3.48Å; N280-L284 HydrophobicContact CB-CD1 4.28Å; N280-L284 HydrophobicContact CB-CD2 4.26Å; N280-R303 PolarHBondContact O-NH2 2.73Å | ||
| 281 | S | 93.7 | Very high | 95.8 | Very high | 84 Ų | 84 | 58 Ų | 58 | 59% | 0.587 | 33% | 0.327 | S | S | * | . | trans | -102.6 | -15.4 | 179.3 | 51.7 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 282 | S | 95.2 | Very high | 95.6 | Very high | 68 Ų | 68 | 57.8 Ų | 57.8 | 48% | 0.476 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -68.7 | 173.6 | 178.4 | 60.3 | 0 | 0 | 0 | 0 | 112.7 | L284 N302 | S282-L284 PolarHBondContact O-N 3.13Å; S282-N302 WeakPolarHBondContact O-CA 3.41Å; S282-N302 WeakPolarHBondContact O-CB 3.26Å |
| 283 | D | 95.4 | Very high | 95.3 | Very high | 72 Ų | 72 | 57.8 Ų | 57.8 | 39% | 0.385 | 33% | 0.331 | S | S | . | . | trans | -56.2 | 133.8 | 161.6 | -73.5 | -21.4 | 0 | 0 | 0 | 110.2 | K300 N302 | D283-K300 HydrophobicContact CB-CD 4.07Å; D283-K300 WeakPolarHBondContact OD2-CE 3.45Å; D283-K300 IonicContact OD2-NZ 2.8Å; D283-K300 PolarHBondContact OD2-NZ 3.38Å; D283-N302 WeakPolarHBondContact OD1-CB 3.34Å; D283-N302 PolarHBondContact OD1-ND2 3.02Å | ||
| 284 | L | 97.2 | Very high | 95 | Very high | 22 Ų | 22 | 64.6 Ų | 64.6 | 12% | 0.115 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 137.3 | 173.4 | -70.4 | 167.7 | 0 | 0 | 0 | 109 | L273 L276 M277 N280 S282 K300 L301 | L273-L284 HydrophobicContact CD1-CB 3.7Å; L273-L284 HydrophobicContact CD1-CD1 4.45Å; L276-L284 HydrophobicContact CB-CD1 3.66Å; M277-L284 HydrophobicContact CB-CD1 4.37Å; M277-L284 HydrophobicContact CG-CD1 3.68Å; N280-L284 HydrophobicContact CB-CD1 4.28Å; N280-L284 HydrophobicContact CB-CD2 4.26Å; S282-L284 PolarHBondContact O-N 3.13Å; L284-K300 CarbonylContact O-C 3.54Å; L284-K300 WeakPolarHBondContact O-CA 3.16Å; L284-K300 WeakPolarHBondContact O-CB 3.45Å; L284-L301 PolarHBondContact N-O 3.35Å; L284-L301 PolarHBondContact O-N 3.42Å |
| 285 | P | 96.4 | Very high | 94.9 | Very high | 84 Ų | 84 | 66.9 Ų | 66.9 | 55% | 0.545 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 148.6 | 179.7 | 31.6 | -34.9 | 0 | 0 | 0 | 111.9 | S299 | P285-S299 WeakPolarHBondContact CA-O 3.42Å |
| 286 | L | 96.8 | Very high | 94.8 | Very high | 6 Ų | 6 | 65.6 Ų | 65.6 | 3% | 0.031 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 106.9 | 160.9 | -179.8 | 142.6 | 0 | 0 | 0 | 107 | F244 F248 L266 E269 L273 I288 S298 S299 | F244-L286 HydrophobicContact CD1-CD2 4.49Å; F244-L286 HydrophobicContact CD2-CD1 4.08Å; F244-L286 HydrophobicContact CE2-CD1 3.84Å; F244-L286 HydrophobicContact CZ-CB 4.46Å; F244-L286 HydrophobicContact CZ-CD1 4.21Å; F248-L286 HydrophobicContact CE2-CD2 4.4Å; F248-L286 HydrophobicContact CZ-CD2 3.78Å; L266-L286 HydrophobicContact CD1-CD2 4.4Å; E269-L286 HydrophobicContact CB-CD1 3.96Å; E269-L286 HydrophobicContact CB-CG 4.3Å; L273-L286 HydrophobicContact CD2-CB 4.34Å; L273-L286 HydrophobicContact CD2-CD1 3.98Å; L286-I288 HydrophobicContact CD2-CD1 4.05Å; L286-I288 HydrophobicContact CD2-CG1 4.07Å; L286-S298 CarbonylContact O-C 3.05Å; L286-S298 WeakPolarHBondContact O-CA 3.28Å; L286-S299 PolarHBondContact N-O 2.81Å; L286-S299 PolarHBondContact O-N 2.86Å |
| 287 | N | 96 | Very high | 94.8 | Very high | 94 Ų | 94 | 61.5 Ų | 61.5 | 50% | 0.503 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 129.9 | -179.3 | -64.3 | -23.5 | 0 | 0 | 0 | 108.3 | V297 S298 | N287-V297 CarbonylContact C-O 3.41Å; N287-V297 WeakPolarHBondContact CA-O 2.95Å; N287-S298 VanDerWaalsContact OD1-CB 3.32Å; N287-S298 WeakPolarHBondContact OD1-CB 3.47Å; N287-S298 PolarHBondContact OD1-OG 3.19Å |
| 288 | I | 95.3 | Very high | 94.7 | Very high | 9 Ų | 9 | 64.1 Ų | 64.1 | 5% | 0.046 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 110.3 | 177.4 | -35.9 | -176.3 | 0 | 0 | 0 | 109.3 | L266 E269 L286 F291 V297 | L266-I288 HydrophobicContact CD1-CD1 4Å; E269-I288 HydrophobicContact CB-CD1 4.01Å; E269-I288 HydrophobicContact CB-CG1 4.46Å; E269-I288 HydrophobicContact CG-CD1 3.71Å; E269-I288 HydrophobicContact CG-CG1 3.95Å; L286-I288 HydrophobicContact CD2-CD1 4.05Å; L286-I288 HydrophobicContact CD2-CG1 4.07Å; I288-F291 HydrophobicContact CB-CB 4.21Å; I288-F291 HydrophobicContact CB-CD2 4.03Å; I288-F291 HydrophobicContact CB-CG 4.32Å; I288-F291 HydrophobicContact CD1-CD2 3.98Å; I288-F291 HydrophobicContact CD1-CE2 3.9Å; I288-F291 HydrophobicContact CG2-CB 4.26Å; I288-F291 HydrophobicContact CG2-CD2 3.74Å; I288-F291 HydrophobicContact CG2-CG 4.37Å; I288-V297 HydrophobicContact CB-CG2 3.76Å; I288-V297 HydrophobicContact CD1-CG2 4.3Å; I288-V297 HydrophobicContact CG1-CG2 3.96Å; I288-V297 PolarHBondContact N-O 3.25Å; I288-V297 PolarHBondContact O-N 2.69Å |
| 289 | E | 94.5 | Very high | 94.7 | Very high | 152 Ų | 152 | 63.7 Ų | 63.7 | 71% | 0.71 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 144.3 | 179.6 | -65.6 | 168.6 | -175.6 | 0 | 0 | 111.6 | R265 F291 D296 | R265-E289 PolarHBondContact NH1-O 2.92Å; R265-E289 PolarHBondContact NH2-O 2.67Å; E289-F291 PolarHBondContact O-N 2.86Å; E289-F291 VanDerWaalsContact O-N 3.14Å; E289-D296 VanDerWaalsContact CA-OD1 3.26Å; E289-D296 WeakPolarHBondContact CA-OD1 3.28Å |
| 290 | C | 91.2 | Very high | 94.8 | Very high | 78 Ų | 78 | 65.9 Ų | 65.9 | 53% | 0.527 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 41.2 | 51 | -177.6 | -52.5 | 0 | 0 | 0 | 0 | 111.7 | R265 D296 | R265-C290 PolarHBondContact NH1-O 2.72Å; C290-D296 PolarHBondContact N-OD1 3.32Å |
| 291 | F | 92.9 | Very high | 94.8 | Very high | 7 Ų | 7 | 62.5 Ų | 62.5 | 3% | 0.031 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | -46.8 | -166 | 175.2 | -122.3 | 0 | 0 | 0 | 112.2 | F248 L254 V256 A262 R265 L266 I288 E289 I295 V297 | F248-F291 HydrophobicContact CD2-CD1 4.4Å; F248-F291 AromaticContact CD2-CE1 3.71Å; F248-F291 HydrophobicContact CD2-CE1 3.71Å; F248-F291 HydrophobicContact CD2-CZ 4.32Å; F248-F291 HydrophobicContact CE2-CE1 4.05Å; F248-F291 HydrophobicContact CE2-CZ 4.38Å; L254-F291 HydrophobicContact CD1-CD1 4.03Å; V256-F291 HydrophobicContact CG1-CE1 4.23Å; V256-F291 HydrophobicContact CG1-CZ 3.7Å; V256-F291 HydrophobicContact CG2-CE1 3.65Å; V256-F291 HydrophobicContact CG2-CZ 3.96Å; A262-F291 HydrophobicContact CB-CD2 4.48Å; A262-F291 HydrophobicContact CB-CE2 4.05Å; A262-F291 HydrophobicContact CB-CZ 4.12Å; A262-F291 VanDerWaalsContact O-CE2 3.29Å; A262-F291 WeakPolarHBondContact O-CE2 3.48Å; R265-F291 HydrophobicContact CB-CE2 4.44Å; L266-F291 HydrophobicContact CB-CE2 4.1Å; L266-F291 HydrophobicContact CB-CZ 4.02Å; L266-F291 HydrophobicContact CD2-CZ 4.36Å; I288-F291 HydrophobicContact CB-CB 4.21Å; I288-F291 HydrophobicContact CB-CD2 4.03Å; I288-F291 HydrophobicContact CB-CG 4.32Å; I288-F291 HydrophobicContact CD1-CD2 3.98Å; I288-F291 HydrophobicContact CD1-CE2 3.9Å; I288-F291 HydrophobicContact CG2-CB 4.26Å; I288-F291 HydrophobicContact CG2-CD2 3.74Å; I288-F291 HydrophobicContact CG2-CG 4.37Å; E289-F291 PolarHBondContact O-N 2.86Å; E289-F291 VanDerWaalsContact O-N 3.14Å; F291-I295 PolarHBondContact N-O 2.83Å; F291-V297 HydrophobicContact CB-CG1 4.29Å; F291-V297 HydrophobicContact CB-CG2 3.83Å; F291-V297 HydrophobicContact CD1-CB 4.31Å; F291-V297 HydrophobicContact CD1-CG1 3.65Å; F291-V297 HydrophobicContact CD1-CG2 3.63Å; F291-V297 HydrophobicContact CD2-CG2 4.4Å; F291-V297 HydrophobicContact CE1-CG1 4.41Å; F291-V297 HydrophobicContact CE1-CG2 4.24Å; F291-V297 HydrophobicContact CG-CG1 4.33Å; F291-V297 HydrophobicContact CG-CG2 3.71Å |
| 292 | M | 91.3 | Very high | 95 | Very high | 22 Ų | 22 | 60.8 Ų | 60.8 | 11% | 0.108 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.4 | 138.1 | 176 | 175.2 | 175 | 162.6 | 0 | 0 | 108.9 | L254 K259 A262 D294 I295 | L254-M292 HydrophobicContact CB-SD 4.28Å; L254-M292 HydrophobicContact CD1-CB 4.31Å; L254-M292 HydrophobicContact CD2-CB 4.1Å; L254-M292 HydrophobicContact CD2-CE 4.36Å; L254-M292 HydrophobicContact CD2-CG 3.95Å; L254-M292 HydrophobicContact CD2-SD 4.12Å; K259-M292 HydrophobicContact CB-SD 4.19Å; K259-M292 HydrophobicContact CG-CE 3.62Å; K259-M292 HydrophobicContact CG-CG 4.28Å; K259-M292 HydrophobicContact CG-SD 3.61Å; A262-M292 HydrophobicContact CB-CB 4.38Å; M292-D294 PolarHBondContact O-N 2.91Å; M292-I295 WeakPolarHBondContact O-CB 3.45Å; M292-I295 PolarHBondContact O-N 3.26Å; M292-I295 VanDerWaalsContact O-N 3.12Å |
| 293 | N | 90.9 | Very high | 95.1 | Very high | 107 Ų | 107 | 59.8 Ų | 59.8 | 57% | 0.572 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.4 | 38.4 | -178.6 | -51.1 | -12.8 | 0 | 0 | 0 | 113 | I295 | N293-I295 PolarHBondContact O-N 3.32Š|
| 294 | D | 91.9 | Very high | 95.2 | Very high | 146 Ų | 146 | 58.3 Ų | 58.3 | 78% | 0.781 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57 | 20.2 | -178.8 | -46.1 | -40.8 | 0 | 0 | 0 | 115 | M292 | M292-D294 PolarHBondContact O-N 2.91Š|
| 295 | I | 93.8 | Very high | 95.1 | Very high | 63 Ų | 63 | 60.6 Ų | 60.6 | 32% | 0.323 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 128.5 | 173.8 | -68 | 163.1 | 0 | 0 | 0 | 109.8 | Y252 L254 F291 M292 N293 | Y252-I295 HydrophobicContact CD1-CG2 3.88Å; Y252-I295 HydrophobicContact CG-CG2 4.45Å; L254-I295 HydrophobicContact CD1-CG2 4.26Å; L254-I295 HydrophobicContact CD2-CD1 4.17Å; F291-I295 PolarHBondContact N-O 2.83Å; M292-I295 WeakPolarHBondContact O-CB 3.45Å; M292-I295 PolarHBondContact O-N 3.26Å; M292-I295 VanDerWaalsContact O-N 3.12Å; N293-I295 PolarHBondContact O-N 3.32Å |
| 296 | D | 95.8 | Very high | 95.2 | Very high | 94 Ų | 94 | 56.7 Ų | 56.7 | 50% | 0.503 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 137.7 | 167.5 | -55.5 | -35.6 | 0 | 0 | 0 | 110.5 | E289 C290 | E289-D296 VanDerWaalsContact CA-OD1 3.26Å; E289-D296 WeakPolarHBondContact CA-OD1 3.28Å; C290-D296 PolarHBondContact N-OD1 3.32Å |
| 297 | V | 96.7 | Very high | 95.2 | Very high | 2 Ų | 2 | 58.5 Ų | 58.5 | 1% | 0.012 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 135.8 | 172.8 | -61.6 | 0 | 0 | 0 | 0 | 110.6 | F248 Y252 L254 N287 I288 F291 | F248-V297 HydrophobicContact CD1-CB 4.35Å; F248-V297 HydrophobicContact CD1-CG1 4.43Å; F248-V297 HydrophobicContact CD2-CB 4.34Å; F248-V297 HydrophobicContact CD2-CG1 4.21Å; F248-V297 HydrophobicContact CD2-CG2 4.25Å; F248-V297 HydrophobicContact CE1-CB 4.03Å; F248-V297 HydrophobicContact CE1-CG2 4.43Å; F248-V297 HydrophobicContact CE2-CB 3.99Å; F248-V297 HydrophobicContact CE2-CG1 4.35Å; F248-V297 HydrophobicContact CE2-CG2 3.62Å; F248-V297 HydrophobicContact CG-CG1 4.24Å; F248-V297 HydrophobicContact CZ-CB 3.83Å; F248-V297 HydrophobicContact CZ-CG2 3.72Å; Y252-V297 HydrophobicContact CD1-CG1 4.46Å; Y252-V297 HydrophobicContact CD2-CB 4.19Å; Y252-V297 HydrophobicContact CD2-CG1 3.65Å; Y252-V297 HydrophobicContact CE2-CB 3.86Å; Y252-V297 HydrophobicContact CE2-CG1 3.83Å; Y252-V297 HydrophobicContact CG-CG1 4Å; L254-V297 HydrophobicContact CD1-CG1 3.74Å; N287-V297 CarbonylContact C-O 3.41Å; N287-V297 WeakPolarHBondContact CA-O 2.95Å; I288-V297 HydrophobicContact CB-CG2 3.76Å; I288-V297 HydrophobicContact CD1-CG2 4.3Å; I288-V297 HydrophobicContact CG1-CG2 3.96Å; I288-V297 PolarHBondContact N-O 3.25Å; I288-V297 PolarHBondContact O-N 2.69Å; F291-V297 HydrophobicContact CB-CG1 4.29Å; F291-V297 HydrophobicContact CB-CG2 3.83Å; F291-V297 HydrophobicContact CD1-CB 4.31Å; F291-V297 HydrophobicContact CD1-CG1 3.65Å; F291-V297 HydrophobicContact CD1-CG2 3.63Å; F291-V297 HydrophobicContact CD2-CG2 4.4Å; F291-V297 HydrophobicContact CE1-CG1 4.41Å; F291-V297 HydrophobicContact CE1-CG2 4.24Å; F291-V297 HydrophobicContact CG-CG1 4.33Å; F291-V297 HydrophobicContact CG-CG2 3.71Å |
| 298 | S | 96.4 | Very high | 95.3 | Very high | 57 Ų | 57 | 60.8 Ų | 60.8 | 40% | 0.399 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 130.5 | 177.6 | 178 | 0 | 0 | 0 | 0 | 109.8 | K251 Y252 L286 N287 | K251-S298 PolarHBondContact NZ-O 3.34Å; Y252-S298 PolarHBondContact OH-N 2.9Å; Y252-S298 PolarHBondContact OH-O 2.87Å; Y252-S298 VanDerWaalsContact OH-O 3.12Å; L286-S298 CarbonylContact O-C 3.05Å; L286-S298 WeakPolarHBondContact O-CA 3.28Å; N287-S298 VanDerWaalsContact OD1-CB 3.32Å; N287-S298 WeakPolarHBondContact OD1-CB 3.47Å; N287-S298 PolarHBondContact OD1-OG 3.19Å |
| 299 | S | 96.8 | Very high | 95.4 | Very high | 20 Ų | 20 | 63 Ų | 63 | 14% | 0.14 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | -177.2 | 174.3 | -165.4 | 0 | 0 | 0 | 0 | 110.4 | E247 P285 L286 | E247-S299 VanDerWaalsContact CD-OG 3.28Å; E247-S299 PolarHBondContact OE1-OG 3.2Å; E247-S299 WeakPolarHBondContact OE2-CB 3.5Å; E247-S299 PolarHBondContact OE2-OG 3.01Å; P285-S299 WeakPolarHBondContact CA-O 3.42Å; L286-S299 PolarHBondContact N-O 2.81Å; L286-S299 PolarHBondContact O-N 2.86Å |
| 300 | K | 96.3 | Very high | 95.5 | Very high | 124 Ų | 124 | 55.8 Ų | 55.8 | 54% | 0.539 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 150.8 | 176.1 | 63.3 | 175.2 | -170.6 | 159.7 | 0 | 111.4 | D283 L284 | D283-K300 HydrophobicContact CB-CD 4.07Å; D283-K300 WeakPolarHBondContact OD2-CE 3.45Å; D283-K300 IonicContact OD2-NZ 2.8Å; D283-K300 PolarHBondContact OD2-NZ 3.38Å; L284-K300 CarbonylContact O-C 3.54Å; L284-K300 WeakPolarHBondContact O-CA 3.16Å; L284-K300 WeakPolarHBondContact O-CB 3.45Å |
| 301 | L | 97.2 | Very high | 95.8 | Very high | 2 Ų | 2 | 54.4 Ų | 54.4 | 1% | 0.01 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 147.8 | 175.5 | -162.5 | 69.9 | 0 | 0 | 0 | 110.4 | L240 F244 L273 M277 L284 L305 F306 M309 | L240-L301 HydrophobicContact CD2-CD2 3.26Å; F244-L301 HydrophobicContact CZ-CB 4.25Å; F244-L301 HydrophobicContact CZ-CD2 4.42Å; L273-L301 HydrophobicContact CD2-CB 4.08Å; L273-L301 HydrophobicContact CD2-CD2 4.3Å; M277-L301 HydrophobicContact CE-CD2 4.12Å; M277-L301 HydrophobicContact SD-CB 4.44Å; M277-L301 HydrophobicContact SD-CD2 4Å; M277-L301 HydrophobicContact SD-CG 4.21Å; L284-L301 PolarHBondContact N-O 3.35Å; L284-L301 PolarHBondContact O-N 3.42Å; L301-L305 HydrophobicContact CD1-CB 4.26Å; L301-L305 HydrophobicContact CD1-CD2 3.78Å; L301-L305 HydrophobicContact CD1-CG 3.97Å; L301-F306 HydrophobicContact CD2-CB 4.05Å; L301-M309 HydrophobicContact CD1-CE 3.93Å; L301-M309 HydrophobicContact CD2-CE 3.9Å |
| 302 | N | 96.8 | Very high | 95.9 | Very high | 48 Ų | 48 | 56.8 Ų | 56.8 | 26% | 0.257 | 32% | 0.322 | S | S | . | . | trans | -114.7 | 163.6 | 171.9 | 59.3 | 68.6 | 0 | 0 | 0 | 111.3 | S282 D283 G304 L305 F306 | S282-N302 WeakPolarHBondContact O-CA 3.41Å; S282-N302 WeakPolarHBondContact O-CB 3.26Å; D283-N302 WeakPolarHBondContact OD1-CB 3.34Å; D283-N302 PolarHBondContact OD1-ND2 3.02Å; N302-G304 VanDerWaalsContact C-N 3.3Å; N302-G304 PolarHBondContact O-N 3.18Å; N302-G304 PolarHBondContact OD1-N 3.23Å; N302-L305 PolarHBondContact O-N 3.31Å; N302-L305 PolarHBondContact OD1-N 3.3Å; N302-L305 VanDerWaalsContact OD1-N 3.11Å; N302-F306 PolarHBondContact O-N 2.88Å; N302-F306 VanDerWaalsContact O-N 3.16Å | ||
| 303 | R | 97.4 | Very high | 96.2 | Very high | 47 Ų | 47 | 57.1 Ų | 57.1 | 18% | 0.177 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -56 | -42 | -178 | -177.9 | -173 | -58.3 | 166.3 | 0.5 | 112.8 | M277 S278 A279 N280 F306 E307 | M277-R303 VanDerWaalsContact O-CZ 3.27Å; M277-R303 PolarHBondContact O-NE 3.44Å; M277-R303 PolarHBondContact O-NH2 3.41Å; S278-R303 PolarHBondContact O-NH2 3.37Å; A279-R303 PolarHBondContact O-NH2 2.98Å; N280-R303 PolarHBondContact O-NH2 2.73Å; R303-F306 WeakPolarHBondContact O-CB 3.4Å; R303-F306 PolarHBondContact O-N 3.43Å; R303-E307 VanDerWaalsContact CG-CD 3.49Å; R303-E307 HydrophobicContact CG-CG 4.1Å; R303-E307 WeakPolarHBondContact O-CB 3.43Å; R303-E307 WeakPolarHBondContact O-CG 3.16Å; R303-E307 PolarHBondContact O-N 3.26Å |
| 304 | G | 97.1 | Very high | 96.4 | Very high | 41 Ų | 41 | 52.3 Ų | 52.3 | 42% | 0.423 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.3 | -49.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | N302 F306 E307 E308 | N302-G304 VanDerWaalsContact C-N 3.3Å; N302-G304 PolarHBondContact O-N 3.18Å; N302-G304 PolarHBondContact OD1-N 3.23Å; G304-F306 VanDerWaalsContact C-N 3.33Å; G304-F306 PolarHBondContact O-N 2.91Å; G304-E307 PolarHBondContact O-N 3.07Å; G304-E308 WeakPolarHBondContact O-CB 3.23Å; G304-E308 PolarHBondContact O-N 3.36Å |
| 305 | L | 96.7 | Very high | 96.6 | Very high | 69 Ų | 69 | 48.2 Ų | 48.2 | 36% | 0.361 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -67.4 | -33.7 | 177.3 | -177.3 | 55.6 | 0 | 0 | 0 | 112.3 | L301 N302 M309 | L301-L305 HydrophobicContact CD1-CB 4.26Å; L301-L305 HydrophobicContact CD1-CD2 3.78Å; L301-L305 HydrophobicContact CD1-CG 3.97Å; N302-L305 PolarHBondContact O-N 3.31Å; N302-L305 PolarHBondContact OD1-N 3.3Å; N302-L305 VanDerWaalsContact OD1-N 3.11Å; L305-M309 HydrophobicContact CD1-CG 4.5Å; L305-M309 HydrophobicContact CG-CE 4.44Å; L305-M309 WeakPolarHBondContact O-CG 3.35Å; L305-M309 PolarHBondContact O-N 2.77Å |
| 306 | F | 97.9 | Very high | 96.7 | Very high | 3 Ų | 3 | 48.9 Ų | 48.9 | 1% | 0.013 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.8 | -46 | 171.9 | 166.4 | -114 | 0 | 0 | 0 | 112.5 | F236 L240 K274 M277 L301 N302 R303 G304 E308 M309 C310 I347 | F236-F306 HydrophobicContact CB-CE2 4.23Å; F236-F306 HydrophobicContact CB-CZ 4.02Å; F236-F306 HydrophobicContact CD1-CE2 4.38Å; F236-F306 AromaticContact CD1-CZ 3.87Å; F236-F306 HydrophobicContact CD1-CZ 3.87Å; F236-F306 HydrophobicContact CG-CZ 4.37Å; L240-F306 HydrophobicContact CD1-CD2 4.21Å; L240-F306 HydrophobicContact CD1-CE2 3.94Å; L240-F306 HydrophobicContact CD2-CD2 3.66Å; L240-F306 HydrophobicContact CD2-CE2 4.15Å; L240-F306 HydrophobicContact CG-CD2 3.97Å; L240-F306 HydrophobicContact CG-CE2 3.93Å; K274-F306 HydrophobicContact CD-CZ 4.37Å; K274-F306 HydrophobicContact CG-CE1 4.4Å; K274-F306 HydrophobicContact CG-CZ 3.86Å; M277-F306 HydrophobicContact CE-CB 3.68Å; M277-F306 HydrophobicContact CE-CD1 3.66Å; M277-F306 HydrophobicContact CE-CD2 3.71Å; M277-F306 HydrophobicContact CE-CE1 4.19Å; M277-F306 HydrophobicContact CE-CE2 4.22Å; M277-F306 HydrophobicContact CE-CG 3.38Å; M277-F306 HydrophobicContact CE-CZ 4.44Å; M277-F306 HydrophobicContact SD-CB 3.61Å; M277-F306 HydrophobicContact SD-CD1 4.23Å; M277-F306 HydrophobicContact SD-CG 3.97Å; L301-F306 HydrophobicContact CD2-CB 4.05Å; N302-F306 PolarHBondContact O-N 2.88Å; N302-F306 VanDerWaalsContact O-N 3.16Å; R303-F306 WeakPolarHBondContact O-CB 3.4Å; R303-F306 PolarHBondContact O-N 3.43Å; G304-F306 VanDerWaalsContact C-N 3.33Å; G304-F306 PolarHBondContact O-N 2.91Å; F306-E308 VanDerWaalsContact C-N 3.34Å; F306-M309 PolarHBondContact O-N 3.07Å; F306-C310 WeakPolarHBondContact CE2-SG 3.41Å; F306-C310 WeakPolarHBondContact O-CB 2.8Å; F306-C310 PolarHBondContact O-N 3.03Å; F306-C310 PolarHBondContact O-SG 3.04Å; F306-I347 HydrophobicContact CE1-CG2 4.48Å |
| 307 | E | 97.1 | Very high | 96.8 | Very high | 44 Ų | 44 | 44.4 Ų | 44.4 | 21% | 0.206 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -68.5 | -32.9 | 179 | -71.6 | 175.9 | 158.4 | 0 | 0 | 111.7 | R303 G304 C310 A311 L314 A349 | R303-E307 VanDerWaalsContact CG-CD 3.49Å; R303-E307 HydrophobicContact CG-CG 4.1Å; R303-E307 WeakPolarHBondContact O-CB 3.43Å; R303-E307 WeakPolarHBondContact O-CG 3.16Å; R303-E307 PolarHBondContact O-N 3.26Å; G304-E307 PolarHBondContact O-N 3.07Å; E307-C310 PolarHBondContact O-N 3.12Å; E307-A311 PolarHBondContact O-N 3.11Å; E307-L314 HydrophobicContact CB-CD1 4.34Å; E307-L314 WeakPolarHBondContact O-CD1 3.43Å; E307-A349 HydrophobicContact CG-CB 3.95Å; E307-A349 WeakPolarHBondContact OE1-CB 3.17Å; E307-A349 PolarHBondContact OE1-N 3.16Å; E307-A349 VanDerWaalsContact OE1-N 3.1Å |
| 308 | E | 97.3 | Very high | 96.7 | Very high | 141 Ų | 141 | 47.1 Ų | 47.1 | 66% | 0.659 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -62 | -52.5 | 169.4 | -175.8 | 179.8 | -178.5 | 0 | 0 | 111.8 | G304 F306 C310 A311 | G304-E308 WeakPolarHBondContact O-CB 3.23Å; G304-E308 PolarHBondContact O-N 3.36Å; F306-E308 VanDerWaalsContact C-N 3.34Å; E308-C310 PolarHBondContact O-N 2.78Å; E308-A311 VanDerWaalsContact O-CB 3.24Å; E308-A311 WeakPolarHBondContact O-CB 3.32Å; E308-A311 PolarHBondContact O-N 2.7Å; E308-A311 VanDerWaalsContact O-N 3.09Å |
| 309 | M | 97.7 | Very high | 96.7 | Very high | 56 Ų | 56 | 46.4 Ų | 46.4 | 28% | 0.276 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -59.3 | -30.5 | 176.3 | -71.3 | -172.1 | -63.1 | 0 | 0 | 112.7 | I239 L240 H243 L301 L305 F306 | I239-M309 HydrophobicContact CG2-CB 3.88Å; L240-M309 HydrophobicContact CD2-CE 4.49Å; H243-M309 HydrophobicContact CB-SD 4.15Å; H243-M309 PolarHBondContact ND1-SD 2.89Å; L301-M309 HydrophobicContact CD1-CE 3.93Å; L301-M309 HydrophobicContact CD2-CE 3.9Å; L305-M309 HydrophobicContact CD1-CG 4.5Å; L305-M309 HydrophobicContact CG-CE 4.44Å; L305-M309 WeakPolarHBondContact O-CG 3.35Å; L305-M309 PolarHBondContact O-N 2.77Å; F306-M309 PolarHBondContact O-N 3.07Å |
| 310 | C | 97.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | 4.2 | 179.7 | -62.8 | 0 | 0 | 0 | 0 | 114.5 | F236 I239 F306 E307 E308 G312 L313 L314 | F236-C310 HydrophobicContact CD1-CB 3.85Å; F236-C310 HydrophobicContact CE1-CB 3.83Å; I239-C310 HydrophobicContact CD1-CB 4.38Å; F306-C310 WeakPolarHBondContact CE2-SG 3.41Å; F306-C310 WeakPolarHBondContact O-CB 2.8Å; F306-C310 PolarHBondContact O-N 3.03Å; F306-C310 PolarHBondContact O-SG 3.04Å; E307-C310 PolarHBondContact O-N 3.12Å; E308-C310 PolarHBondContact O-N 2.78Å; C310-G312 PolarHBondContact O-N 3.35Å; C310-L313 PolarHBondContact O-N 3.01Å; C310-L314 HydrophobicContact CB-CD1 4.28Å; C310-L314 HydrophobicContact CB-CG 4.26Å; C310-L314 WeakPolarHBondContact O-CG 3.35Å; C310-L314 PolarHBondContact O-N 3.39Å |
| 311 | A | 96.3 | Very high | 96.8 | Very high | 50 Ų | 50 | 40 Ų | 40 | 41% | 0.413 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -51.4 | -36.4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | E307 E308 L314 A315 | E307-A311 PolarHBondContact O-N 3.11Å; E308-A311 VanDerWaalsContact O-CB 3.24Å; E308-A311 WeakPolarHBondContact O-CB 3.32Å; E308-A311 PolarHBondContact O-N 2.7Å; E308-A311 VanDerWaalsContact O-N 3.09Å; A311-L314 PolarHBondContact O-N 2.91Å; A311-A315 PolarHBondContact O-N 2.89Å |
| 312 | G | 95.8 | Very high | 96.8 | Very high | 57 Ų | 57 | 45.4 Ų | 45.4 | 59% | 0.588 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -67.4 | -37.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | C310 | C310-G312 PolarHBondContact O-N 3.35Å |
| 313 | L | 96.3 | Very high | 96.7 | Very high | 28 Ų | 28 | 45 Ų | 45 | 15% | 0.147 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -73.7 | -41 | 172.9 | -64.3 | -177.6 | 0 | 0 | 0 | 111 | L231 D235 F236 I239 C310 A315 K316 | L231-L313 HydrophobicContact CD1-CB 3.96Å; L231-L313 HydrophobicContact CD1-CD2 4.15Å; D235-L313 VanDerWaalsContact C-CD1 3.48Å; D235-L313 HydrophobicContact CB-CD1 3.71Å; D235-L313 HydrophobicContact CB-CD2 4.21Å; D235-L313 WeakPolarHBondContact O-CD1 3.41Å; F236-L313 HydrophobicContact CD1-CD1 4.24Å; F236-L313 HydrophobicContact CD2-CD1 4.13Å; F236-L313 HydrophobicContact CE1-CB 4.16Å; F236-L313 HydrophobicContact CE1-CD1 4.3Å; F236-L313 HydrophobicContact CE2-CB 4.44Å; F236-L313 HydrophobicContact CE2-CD1 4.18Å; F236-L313 HydrophobicContact CG-CD1 4.14Å; F236-L313 HydrophobicContact CZ-CB 3.9Å; F236-L313 HydrophobicContact CZ-CD1 4.25Å; I239-L313 HydrophobicContact CD1-CD1 3.53Å; I239-L313 HydrophobicContact CD1-CG 3.91Å; I239-L313 HydrophobicContact CG1-CD1 4.42Å; C310-L313 PolarHBondContact O-N 3.01Å; L313-A315 PolarHBondContact O-N 3.09Å; L313-K316 HydrophobicContact CD2-CD 4.29Å; L313-K316 WeakPolarHBondContact O-CB 3.42Å; L313-K316 PolarHBondContact O-N 3.29Å |
| 314 | L | 96.6 | Very high | 96.7 | Very high | 7 Ų | 7 | 42.7 Ų | 42.7 | 4% | 0.037 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.9 | -29.7 | 177.9 | -67.8 | 175.2 | 0 | 0 | 0 | 112.2 | F236 E307 C310 A311 V317 A349 I350 R353 | F236-L314 HydrophobicContact CE1-CD2 3.98Å; F236-L314 HydrophobicContact CE1-CG 4.33Å; F236-L314 HydrophobicContact CZ-CD2 4.24Å; E307-L314 HydrophobicContact CB-CD1 4.34Å; E307-L314 WeakPolarHBondContact O-CD1 3.43Å; C310-L314 HydrophobicContact CB-CD1 4.28Å; C310-L314 HydrophobicContact CB-CG 4.26Å; C310-L314 WeakPolarHBondContact O-CG 3.35Å; C310-L314 PolarHBondContact O-N 3.39Å; A311-L314 PolarHBondContact O-N 2.91Å; L314-V317 WeakPolarHBondContact O-CB 3.14Å; L314-V317 WeakPolarHBondContact O-CG2 3.2Å; L314-A349 HydrophobicContact CD1-CB 3.87Å; L314-A349 HydrophobicContact CD2-CB 3.86Å; L314-I350 HydrophobicContact CD2-CD1 3.63Å; L314-I350 HydrophobicContact CD2-CG1 4.3Å; L314-R353 WeakPolarHBondContact O-CD 3.47Å; L314-R353 PolarHBondContact O-NE 3.36Å |
| 315 | A | 95.3 | Very high | 96.7 | Very high | 60 Ų | 60 | 41.8 Ų | 41.8 | 50% | 0.496 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -68.9 | -29.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114 | A311 L313 V317 | A311-A315 PolarHBondContact O-N 2.89Å; L313-A315 PolarHBondContact O-N 3.09Å; A315-V317 VanDerWaalsContact C-N 3.27Å; A315-V317 PolarHBondContact O-N 3.4Å |
| 316 | K | 96.1 | Very high | 96.6 | Very high | 76 Ų | 76 | 45.8 Ų | 45.8 | 33% | 0.33 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -65.7 | -28.6 | 178.5 | -71.1 | 172.3 | 142.4 | -128.7 | 0 | 113.2 | D228 D230 L231 L313 E318 G319 P320 | D228-K316 IonicContact OD1-NZ 2.99Å; D228-K316 PolarHBondContact OD1-NZ 2.89Å; D228-K316 WeakPolarHBondContact OD2-CD 3.39Å; D228-K316 WeakPolarHBondContact OD2-CE 3.27Å; D228-K316 IonicContact OD2-NZ 3.9Å; D228-K316 PolarHBondContact OD2-NZ 3.28Å; D230-K316 PolarHBondContact O-NZ 3.47Å; L231-K316 HydrophobicContact CB-CD 4.4Å; L231-K316 HydrophobicContact CD1-CD 4.17Å; L231-K316 HydrophobicContact CD2-CB 3.83Å; L313-K316 HydrophobicContact CD2-CD 4.29Å; L313-K316 WeakPolarHBondContact O-CB 3.42Å; L313-K316 PolarHBondContact O-N 3.29Å; K316-E318 PolarHBondContact O-N 2.91Å; K316-E318 VanDerWaalsContact O-N 3.07Å; K316-G319 PolarHBondContact O-N 3.47Å; K316-P320 WeakPolarHBondContact O-CD 3.14Å |
| 317 | V | 96.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -33.2 | -172.9 | -179.7 | 0 | 0 | 0 | 0 | 112.9 | Y208 L231 L314 A315 L321 I350 R353 I354 | Y208-V317 VanDerWaalsContact CE1-O 3.22Å; Y208-V317 WeakPolarHBondContact CE1-O 3.45Å; Y208-V317 PolarHBondContact OH-O 2.96Å; L231-V317 HydrophobicContact CD2-CG2 4.23Å; L314-V317 WeakPolarHBondContact O-CB 3.14Å; L314-V317 WeakPolarHBondContact O-CG2 3.2Å; A315-V317 VanDerWaalsContact C-N 3.27Å; A315-V317 PolarHBondContact O-N 3.4Å; V317-L321 WeakPolarHBondContact O-CG 3.47Å; V317-I350 HydrophobicContact CG2-CD1 3.58Å; V317-R353 HydrophobicContact CG1-CB 4.35Å; V317-I354 HydrophobicContact CG1-CG1 4.12Å |
| 318 | E | 95.9 | Very high | 96.4 | Very high | 59 Ų | 59 | 47.3 Ų | 47.3 | 28% | 0.276 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -81.7 | -18.1 | -175.8 | -68.2 | 168 | -126.2 | 0 | 0 | 113 | K316 L321 H322 R353 | K316-E318 PolarHBondContact O-N 2.91Å; K316-E318 VanDerWaalsContact O-N 3.07Å; E318-L321 PolarHBondContact O-N 3.46Å; E318-H322 PolarHBondContact O-CD2 2.9Å; E318-H322 VanDerWaalsContact O-CD2 3.26Å; E318-H322 PolarHBondContact O-N 2.67Å; E318-R353 IonicContact OE1-CZ 3.17Å; E318-R353 IonicContact OE1-NH1 3.86Å; E318-R353 PolarHBondContact OE1-NH1 3.13Å |
| 319 | G | 96 | Very high | 96.4 | Very high | 42 Ų | 42 | 49.5 Ų | 49.5 | 43% | 0.433 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61.8 | -58.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | K316 L321 H322 S323 | K316-G319 PolarHBondContact O-N 3.47Å; G319-L321 VanDerWaalsContact C-N 3.25Å; G319-L321 PolarHBondContact O-N 3.36Å; G319-H322 PolarHBondContact O-N 3.04Å; G319-S323 PolarHBondContact O-N 3.46Å |
| 320 | P | 96.7 | Very high | 96.3 | Very high | 11 Ų | 11 | 49.1 Ų | 49.1 | 7% | 0.071 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59 | -32.2 | 173.4 | -31.3 | 40.3 | 0 | 0 | 0 | 114.2 | Y208 V210 A226 D228 K316 S323 V324 | Y208-P320 HydrophobicContact CD1-CB 4.22Å; Y208-P320 HydrophobicContact CD1-CG 3.71Å; Y208-P320 HydrophobicContact CE1-CB 3.86Å; Y208-P320 HydrophobicContact CE1-CG 3.67Å; V210-P320 HydrophobicContact CG2-CB 3.85Å; A226-P320 HydrophobicContact CB-CB 4.06Å; D228-P320 HydrophobicContact CB-CG 4.21Å; K316-P320 WeakPolarHBondContact O-CD 3.14Å; P320-S323 PolarHBondContact O-N 2.69Å; P320-V324 PolarHBondContact O-N 3.04Å |
| 321 | L | 97.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65.2 | -47.3 | 175.1 | -59.3 | 178.6 | 0 | 0 | 0 | 111.4 | V201 Y208 V210 V317 E318 G319 S323 V324 M325 I354 F357 F358 | V201-L321 HydrophobicContact CG2-CD2 4.2Å; Y208-L321 WeakPolarHBondContact OH-CG 3.48Å; V210-L321 HydrophobicContact CG1-CD2 4.03Å; V210-L321 HydrophobicContact CG2-CD2 3.86Å; V317-L321 WeakPolarHBondContact O-CG 3.47Å; E318-L321 PolarHBondContact O-N 3.46Å; G319-L321 VanDerWaalsContact C-N 3.25Å; G319-L321 PolarHBondContact O-N 3.36Å; L321-S323 VanDerWaalsContact C-N 3.32Å; L321-S323 PolarHBondContact O-N 2.77Å; L321-V324 WeakPolarHBondContact O-CG2 3.31Å; L321-M325 WeakPolarHBondContact O-CG 3.5Å; L321-M325 PolarHBondContact O-N 2.87Å; L321-I354 HydrophobicContact CD1-CG1 4.27Å; L321-F357 HydrophobicContact CB-CD1 3.85Å; L321-F357 HydrophobicContact CB-CD2 4.13Å; L321-F357 HydrophobicContact CB-CE1 3.68Å; L321-F357 HydrophobicContact CB-CE2 3.95Å; L321-F357 HydrophobicContact CB-CG 4.09Å; L321-F357 HydrophobicContact CB-CZ 3.73Å; L321-F357 HydrophobicContact CD1-CB 3.96Å; L321-F357 HydrophobicContact CD1-CD1 3.99Å; L321-F357 HydrophobicContact CD1-CD2 4.38Å; L321-F357 HydrophobicContact CD1-CG 3.84Å; L321-F357 HydrophobicContact CG-CD1 4.45Å; L321-F358 HydrophobicContact CD2-CE2 3.79Å; L321-F358 HydrophobicContact CD2-CZ 3.93Å |
| 322 | H | 97.4 | Very high | 96.2 | Very high | 114 Ų | 114 | 57.5 Ų | 57.5 | 53% | 0.528 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -57.7 | -45.9 | 171.6 | -86.6 | -75.4 | 0 | 0 | 0 | 111.5 | E318 G319 V324 M325 E326 F357 | E318-H322 PolarHBondContact O-CD2 2.9Å; E318-H322 VanDerWaalsContact O-CD2 3.26Å; E318-H322 PolarHBondContact O-N 2.67Å; G319-H322 PolarHBondContact O-N 3.04Å; H322-V324 PolarHBondContact O-N 2.82Å; H322-M325 PolarHBondContact O-N 3.38Å; H322-E326 PolarHBondContact O-N 3.27Å; H322-F357 AromaticContact CD2-CE2 3.69Å; H322-F357 AromaticContact CE1-CE2 3.88Å; H322-F357 AromaticContact CG-CE2 3.85Å; H322-F357 AromaticContact ND1-CE2 3.97Å; H322-F357 AromaticContact NE2-CE2 3.7Å |
| 323 | S | 95.8 | Very high | 96.1 | Very high | 39 Ų | 39 | 61.5 Ų | 61.5 | 27% | 0.273 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63.3 | -42.3 | -175.4 | -166.9 | 0 | 0 | 0 | 0 | 113.1 | G319 P320 L321 M325 E326 Q327 | G319-S323 PolarHBondContact O-N 3.46Å; P320-S323 PolarHBondContact O-N 2.69Å; L321-S323 VanDerWaalsContact C-N 3.32Å; L321-S323 PolarHBondContact O-N 2.77Å; S323-M325 VanDerWaalsContact C-N 3.32Å; S323-M325 PolarHBondContact O-N 2.76Å; S323-E326 PolarHBondContact O-N 2.91Å; S323-Q327 WeakPolarHBondContact O-CB 3.25Å; S323-Q327 WeakPolarHBondContact O-CG 3.46Å; S323-Q327 PolarHBondContact O-N 3.07Å; S323-Q327 PolarHBondContact O-NE2 2.88Å; S323-Q327 PolarHBondContact OG-NE2 2.92Å |
| 324 | V | 96 | Very high | 96.1 | Very high | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -67.7 | -31.8 | 177 | -63.9 | 0 | 0 | 0 | 0 | 113.2 | V210 V212 A226 P320 L321 H322 T328 | V210-V324 HydrophobicContact CB-CG1 4.08Å; V210-V324 HydrophobicContact CG1-CB 4.45Å; V210-V324 HydrophobicContact CG1-CG1 3.94Å; V210-V324 HydrophobicContact CG1-CG2 3.69Å; V212-V324 HydrophobicContact CG2-CB 3.67Å; V212-V324 HydrophobicContact CG2-CG1 4.41Å; V212-V324 HydrophobicContact CG2-CG2 3.68Å; A226-V324 HydrophobicContact CB-CG1 3.57Å; P320-V324 PolarHBondContact O-N 3.04Å; L321-V324 WeakPolarHBondContact O-CG2 3.31Å; H322-V324 PolarHBondContact O-N 2.82Å; V324-T328 WeakPolarHBondContact O-CB 3.43Å; V324-T328 WeakPolarHBondContact O-CG2 3.33Å; V324-T328 PolarHBondContact O-N 2.66Å; V324-T328 PolarHBondContact O-OG1 3.28Å |
| 325 | M | 97.1 | Very high | 96.2 | Very high | 21 Ų | 21 | 63.9 Ų | 63.9 | 10% | 0.103 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -70.2 | -41.9 | 177.4 | -63.3 | -53.1 | -66.3 | 0 | 0 | 111.2 | L321 H322 S323 T328 K329 L330 K331 K332 I335 F357 F358 | L321-M325 WeakPolarHBondContact O-CG 3.5Å; L321-M325 PolarHBondContact O-N 2.87Å; H322-M325 PolarHBondContact O-N 3.38Å; S323-M325 VanDerWaalsContact C-N 3.32Å; S323-M325 PolarHBondContact O-N 2.76Å; M325-T328 PolarHBondContact O-OG1 2.71Å; M325-K329 WeakPolarHBondContact O-CA 3.47Å; M325-K329 PolarHBondContact O-N 2.79Å; M325-L330 HydrophobicContact CE-CB 4.34Å; M325-L330 WeakPolarHBondContact CE-O 3.25Å; M325-K331 WeakPolarHBondContact CE-O 3.44Å; M325-K332 HydrophobicContact CE-CG 4.45Å; M325-I335 HydrophobicContact CE-CD1 3.82Å; M325-I335 HydrophobicContact SD-CD1 3.79Å; M325-F357 HydrophobicContact CG-CE1 4.04Å; M325-F357 HydrophobicContact CG-CZ 4.07Å; M325-F358 HydrophobicContact SD-CE1 4.07Å |
| 326 | E | 96.4 | Very high | 96.3 | Very high | 153 Ų | 153 | 67.3 Ų | 67.3 | 72% | 0.715 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -63.6 | -46.3 | 173.5 | -176.7 | 176 | -157.8 | 0 | 0 | 112 | H322 S323 T328 K329 | H322-E326 PolarHBondContact O-N 3.27Å; S323-E326 PolarHBondContact O-N 2.91Å; E326-T328 VanDerWaalsContact C-N 3.35Å; E326-T328 PolarHBondContact O-N 3.02Å; E326-K329 WeakPolarHBondContact O-CG 3.45Å; E326-K329 PolarHBondContact O-N 2.89Å |
| 327 | Q | 94.9 | Very high | 96.3 | Very high | 52 Ų | 52 | 64 Ų | 64 | 24% | 0.243 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62 | -38.7 | 179.4 | -73.4 | 175.9 | 61.1 | 0 | 0 | 112.9 | A224 A225 S323 N423 | A224-Q327 HydrophobicContact CB-CB 3.83Å; A225-Q327 PolarHBondContact O-NE2 3.09Å; A225-Q327 PolarHBondContact O-OE1 2.82Å; S323-Q327 WeakPolarHBondContact O-CB 3.25Å; S323-Q327 WeakPolarHBondContact O-CG 3.46Å; S323-Q327 PolarHBondContact O-N 3.07Å; S323-Q327 PolarHBondContact O-NE2 2.88Å; S323-Q327 PolarHBondContact OG-NE2 2.92Å; Q327-N423 PolarHBondContact OE1-ND2 2.78Å |
| 328 | T | 96.1 | Very high | 96.4 | Very high | 28 Ų | 28 | 64 Ų | 64 | 17% | 0.172 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -86.4 | -21.2 | 179.8 | 56 | 0 | 0 | 0 | 0 | 114.1 | V212 L223 A224 V324 M325 E326 L330 | V212-T328 HydrophobicContact CB-CG2 3.97Å; V212-T328 HydrophobicContact CG1-CG2 4.09Å; V212-T328 HydrophobicContact CG2-CG2 4.27Å; L223-T328 HydrophobicContact CB-CG2 3.88Å; A224-T328 HydrophobicContact CB-CG2 3.57Å; V324-T328 WeakPolarHBondContact O-CB 3.43Å; V324-T328 WeakPolarHBondContact O-CG2 3.33Å; V324-T328 PolarHBondContact O-N 2.66Å; V324-T328 PolarHBondContact O-OG1 3.28Å; M325-T328 PolarHBondContact O-OG1 2.71Å; E326-T328 VanDerWaalsContact C-N 3.35Å; E326-T328 PolarHBondContact O-N 3.02Å; T328-L330 PolarHBondContact O-N 2.78Å |
| 329 | K | 95.8 | Very high | 96.5 | Very high | 186 Ų | 186 | 61.3 Ų | 61.3 | 81% | 0.809 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.3 | 19.8 | -173.8 | -51.7 | -178.8 | -177.1 | -179 | 0 | 114 | M325 E326 | M325-K329 WeakPolarHBondContact O-CA 3.47Å; M325-K329 PolarHBondContact O-N 2.79Å; E326-K329 WeakPolarHBondContact O-CG 3.45Å; E326-K329 PolarHBondContact O-N 2.89Å |
| 330 | L | 96.1 | Very high | 96.6 | Very high | 48 Ų | 48 | 59.5 Ų | 59.5 | 25% | 0.251 | 28% | 0.28 | S | S | . | . | trans | -79.1 | 158.8 | 172.6 | -66.3 | 172.8 | 0 | 0 | 0 | 110.4 | I197 V212 L223 M325 T328 D334 | I197-L330 HydrophobicContact CG1-CD1 4.37Å; I197-L330 HydrophobicContact CG2-CD1 3.95Å; V212-L330 HydrophobicContact CG1-CD1 4.05Å; L223-L330 HydrophobicContact CD1-CD1 4.14Å; M325-L330 HydrophobicContact CE-CB 4.34Å; M325-L330 WeakPolarHBondContact CE-O 3.25Å; T328-L330 PolarHBondContact O-N 2.78Å; L330-D334 HydrophobicContact CB-CB 4.47Å; L330-D334 HydrophobicContact CD2-CB 4.27Å | ||
| 331 | K | 95.9 | Very high | 96.6 | Very high | 144 Ų | 144 | 59 Ų | 59 | 63% | 0.626 | 28% | 0.277 | S | S | * | . | trans | -96.3 | 168.7 | 170.9 | -47.3 | -179.7 | -179.5 | 176.5 | 0 | 110.5 | M325 E333 D334 | M325-K331 WeakPolarHBondContact CE-O 3.44Å; K331-E333 WeakPolarHBondContact CB-OE2 3.15Å; K331-E333 PolarHBondContact O-N 3.4Å; K331-D334 WeakPolarHBondContact CB-OD2 3.4Å; K331-D334 PolarHBondContact N-OD2 3.27Å; K331-D334 PolarHBondContact O-N 3.37Å | ||
| 332 | K | 94.9 | Very high | 96.5 | Very high | 82 Ų | 82 | 59.4 Ų | 59.4 | 36% | 0.357 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -67.9 | -27 | 179.2 | -64.9 | -179.6 | -178.2 | -176.8 | 0 | 111.5 | M325 I335 F357 K360 | M325-K332 HydrophobicContact CE-CG 4.45Å; K332-I335 PolarHBondContact O-N 3.06Å; K332-F357 WeakPolarHBondContact CD-O 3.48Å; K332-F357 WeakPolarHBondContact CE-O 3.45Å; K332-F357 PolarHBondContact NZ-O 3.19Å; K332-K360 WeakPolarHBondContact O-CE 3.45Å |
| 333 | E | 95.3 | Very high | 96.4 | Very high | 141 Ų | 141 | 55.8 Ų | 55.8 | 66% | 0.659 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -29.6 | 179.8 | -56.4 | 69.4 | -143.8 | 0 | 0 | 112 | K331 I335 | K331-E333 WeakPolarHBondContact CB-OE2 3.15Å; K331-E333 PolarHBondContact O-N 3.4Å; E333-I335 PolarHBondContact O-N 2.92Å |
| 334 | D | 96 | Very high | 96.4 | Very high | 84 Ų | 84 | 54.2 Ų | 54.2 | 45% | 0.449 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -16.5 | 178.7 | -59.9 | -50.6 | 0 | 0 | 0 | 113 | L330 K331 | L330-D334 HydrophobicContact CB-CB 4.47Å; L330-D334 HydrophobicContact CD2-CB 4.27Å; K331-D334 WeakPolarHBondContact CB-OD2 3.4Å; K331-D334 PolarHBondContact N-OD2 3.27Å; K331-D334 PolarHBondContact O-N 3.37Å |
| 335 | I | 97.9 | Very high | 96.5 | Very high | 2 Ų | 2 | 54.4 Ų | 54.4 | 1% | 0.01 | 26% | 0.264 | C | S | . | . | trans | -78.7 | 121.2 | 178.8 | -64.3 | 166.9 | 0 | 0 | 0 | 109.7 | V199 M325 K332 E333 A337 V338 F358 K360 | V199-I335 HydrophobicContact CG2-CD1 3.76Å; V199-I335 HydrophobicContact CG2-CG1 4.04Å; V199-I335 HydrophobicContact CG2-CG2 3.97Å; M325-I335 HydrophobicContact CE-CD1 3.82Å; M325-I335 HydrophobicContact SD-CD1 3.79Å; K332-I335 PolarHBondContact O-N 3.06Å; E333-I335 PolarHBondContact O-N 2.92Å; I335-A337 VanDerWaalsContact CG2-O 3.28Å; I335-A337 WeakPolarHBondContact CG2-O 3.4Å; I335-V338 HydrophobicContact CG2-CG2 4.04Å; I335-F358 HydrophobicContact CD1-CD1 3.54Å; I335-F358 HydrophobicContact CD1-CE1 3.46Å; I335-F358 VanDerWaalsContact CD1-CE1 3.46Å; I335-K360 HydrophobicContact CG2-CD 4.39Å; I335-K360 WeakPolarHBondContact O-CE 3.49Å; I335-K360 PolarHBondContact O-NZ 3.37Å | ||
| 336 | Y | 97.4 | Very high | 96.5 | Very high | 131 Ų | 131 | 58.4 Ų | 58.4 | 51% | 0.514 | 28% | 0.278 | S | S | . | . | trans | -70.9 | -50.4 | 173.9 | 177.7 | -93 | 0 | 0 | 0 | 111.5 | R196 I197 V198 | R196-Y336 HydrophobicContact CG-CD1 3.75Å; R196-Y336 HydrophobicContact CG-CD2 4.04Å; R196-Y336 HydrophobicContact CG-CE1 4.41Å; R196-Y336 HydrophobicContact CG-CG 3.55Å; I197-Y336 VanDerWaalsContact O-CB 3.25Å; I197-Y336 WeakPolarHBondContact O-CB 3.14Å; I197-Y336 PolarHBondContact O-N 3.03Å; V198-Y336 HydrophobicContact CG2-CD1 4.43Å | ||
| 337 | A | 97.3 | Very high | 96.5 | Very high | 7 Ų | 7 | 51.3 Ų | 51.3 | 6% | 0.058 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 159.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | V198 V199 I335 | V198-A337 WeakPolarHBondContact CA-O 3.32Å; V198-A337 HydrophobicContact CG1-CB 4.36Å; V199-A337 PolarHBondContact N-O 2.84Å; I335-A337 VanDerWaalsContact CG2-O 3.28Å; I335-A337 WeakPolarHBondContact CG2-O 3.4Å |
| 338 | V | 98.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 110 | 171.5 | -175.3 | 0 | 0 | 0 | 0 | 107.3 | V199 V201 I335 I354 F358 L362 N363 | V199-V338 HydrophobicContact CB-CG1 4.42Å; V199-V338 HydrophobicContact CB-CG2 4.41Å; V199-V338 CarbonylContact O-C 3.56Å; V199-V338 WeakPolarHBondContact O-CA 3.46Å; V201-V338 HydrophobicContact CG2-CG1 3.96Å; I335-V338 HydrophobicContact CG2-CG2 4.04Å; V338-I354 HydrophobicContact CG1-CG2 4.04Å; V338-F358 HydrophobicContact CB-CD2 4.33Å; V338-F358 HydrophobicContact CG1-CD2 3.9Å; V338-F358 HydrophobicContact CG1-CE2 3.85Å; V338-F358 HydrophobicContact CG2-CB 4.09Å; V338-F358 HydrophobicContact CG2-CD1 4.24Å; V338-F358 HydrophobicContact CG2-CD2 3.58Å; V338-F358 HydrophobicContact CG2-CE2 4.01Å; V338-F358 HydrophobicContact CG2-CG 3.71Å; V338-L362 HydrophobicContact CB-CD2 4Å; V338-L362 HydrophobicContact CG1-CD2 3.85Å; V338-N363 PolarHBondContact O-N 3.3Å |
| 339 | E | 98.1 | Very high | 96.7 | Very high | 2 Ų | 2 | 49.8 Ų | 49.8 | 1% | 0.009 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 133.3 | 178.3 | -56.6 | -80.7 | 155.6 | 0 | 0 | 109.3 | Y181 V198 V199 F200 V201 N363 T365 | Y181-E339 HydrophobicContact CD2-CG 4.16Å; Y181-E339 VanDerWaalsContact CE2-CD 3.47Å; Y181-E339 HydrophobicContact CE2-CG 3.77Å; Y181-E339 WeakPolarHBondContact CE2-OE1 3.35Å; V198-E339 HydrophobicContact CG1-CG 3.85Å; V199-E339 PolarHBondContact O-N 3.03Å; F200-E339 WeakPolarHBondContact CA-O 3.24Å; F200-E339 HydrophobicContact CD1-CB 3.69Å; F200-E339 HydrophobicContact CD1-CG 4.25Å; F200-E339 HydrophobicContact CE1-CB 3.78Å; F200-E339 HydrophobicContact CE1-CG 3.83Å; V201-E339 PolarHBondContact N-O 3.34Å; E339-N363 WeakPolarHBondContact CA-O 3.16Å; E339-N363 HydrophobicContact CG-CB 4.15Å; E339-N363 WeakPolarHBondContact OE1-CB 3.37Å; E339-N363 PolarHBondContact OE1-ND2 3.04Å; E339-N363 VanDerWaalsContact OE2-CB 3.31Å; E339-N363 WeakPolarHBondContact OE2-CB 3.27Å; E339-T365 VanDerWaalsContact CD-OG1 3.24Å; E339-T365 PolarHBondContact OE1-OG1 2.88Å; E339-T365 WeakPolarHBondContact OE2-CB 3.38Å; E339-T365 PolarHBondContact OE2-N 2.82Å; E339-T365 PolarHBondContact OE2-OG1 2.72Å |
| 340 | I | 97.9 | Very high | 96.8 | Very high | 5 Ų | 5 | 41 Ų | 41 | 3% | 0.026 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 137.4 | 179.1 | 65.4 | 177.2 | 0 | 0 | 0 | 112.3 | V201 T345 K351 L362 N363 T364 | V201-I340 HydrophobicContact CB-CG2 4.32Å; V201-I340 WeakPolarHBondContact O-CA 3.35Å; I340-T345 HydrophobicContact CB-CG2 4.29Å; I340-K351 HydrophobicContact CD1-CD 4.22Å; I340-K351 HydrophobicContact CD1-CG 4.07Å; I340-L362 HydrophobicContact CD1-CB 4.33Å; I340-L362 HydrophobicContact CD1-CD1 4.3Å; I340-L362 HydrophobicContact CG2-CB 4.27Å; I340-L362 HydrophobicContact CG2-CD1 4.1Å; I340-N363 PolarHBondContact N-O 3.26Å; I340-T364 HydrophobicContact CD1-CG2 4.02Å; I340-T364 HydrophobicContact CG1-CG2 3.65Å |
| 341 | V | 97.3 | Very high | 96.8 | Very high | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.006 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 175.7 | 178.7 | -62.5 | 0 | 0 | 0 | 0 | 110.6 | V177 V201 D202 L203 T345 L366 A371 | V177-V341 HydrophobicContact CG1-CG1 3.8Å; V177-V341 HydrophobicContact CG1-CG2 4.11Å; V177-V341 HydrophobicContact CG2-CG2 4.16Å; V201-V341 PolarHBondContact O-N 3.06Å; D202-V341 WeakPolarHBondContact CA-O 3.46Å; D202-V341 HydrophobicContact CB-CG2 3.66Å; L203-V341 PolarHBondContact N-O 3Å; V341-T345 WeakPolarHBondContact O-CG2 3.2Å; V341-T345 PolarHBondContact O-OG1 2.95Å; V341-L366 HydrophobicContact CG1-CB 4.45Å; V341-L366 HydrophobicContact CG1-CD1 4.38Å; V341-A371 HydrophobicContact CG1-CB 4.43Å |
| 342 | G | 95.4 | Very high | 96.9 | Very high | 8 Ų | 8 | 41.8 Ų | 41.8 | 8% | 0.082 | 21% | 0.206 | C | C | . | . | S | Bend | trans | 79.6 | 138.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | D202 L203 A344 T345 A368 | D202-G342 VanDerWaalsContact OD1-CA 3.31Å; D202-G342 WeakPolarHBondContact OD1-CA 3.41Å; L203-G342 CarbonylContact O-C 3.54Å; G342-A344 VanDerWaalsContact C-N 3.27Å; G342-A344 PolarHBondContact O-N 3Å; G342-A344 VanDerWaalsContact O-N 3.09Å; G342-T345 PolarHBondContact O-N 3.3Å; G342-T345 PolarHBondContact O-OG1 2.93Å; G342-A368 PolarHBondContact N-O 3.16Å |
| 343 | G | 94.6 | Very high | 97 | Very high | 37 Ų | 37 | 41.4 Ų | 41.4 | 38% | 0.381 | 20% | 0.203 | S | C | . | . | G | 310 helix | trans | -62.6 | -24.4 | -162.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | L203 R346 | L203-G343 PolarHBondContact O-N 2.99Å; G343-R346 WeakPolarHBondContact O-CB 3.31Å; G343-R346 WeakPolarHBondContact O-CG 3.49Å |
| 344 | A | 96.7 | Very high | 97.1 | Very high | 7 Ų | 7 | 34.7 Ų | 34.7 | 6% | 0.058 | 17% | 0.171 | C | C | . | . | G | 310 helix | trans | -91.6 | -9.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | L203 G342 R346 I347 | L203-A344 HydrophobicContact CB-CB 4.47Å; L203-A344 HydrophobicContact CD2-CB 3.88Å; L203-A344 HydrophobicContact CG-CB 3.84Å; L203-A344 WeakPolarHBondContact O-CB 3.31Å; L203-A344 PolarHBondContact O-N 3.08Å; G342-A344 VanDerWaalsContact C-N 3.27Å; G342-A344 PolarHBondContact O-N 3Å; G342-A344 VanDerWaalsContact O-N 3.09Å; A344-R346 PolarHBondContact O-N 3.36Å; A344-R346 VanDerWaalsContact O-N 3.08Å; A344-I347 HydrophobicContact CB-CD1 4.43Å; A344-I347 WeakPolarHBondContact O-CG1 3.21Å; A344-I347 PolarHBondContact O-N 3.08Å; A344-I347 VanDerWaalsContact O-N 3.16Å |
| 345 | T | 97.2 | Very high | 97.2 | Very high | 3 Ų | 3 | 33 Ų | 33 | 2% | 0.018 | 17% | 0.165 | C | C | . | . | G | 310 helix | trans | -64.1 | -9.1 | 165.5 | 61.3 | 0 | 0 | 0 | 0 | 112.9 | L203 I340 V341 G342 I347 K351 | L203-T345 HydrophobicContact CB-CG2 3.61Å; I340-T345 HydrophobicContact CB-CG2 4.29Å; V341-T345 WeakPolarHBondContact O-CG2 3.2Å; V341-T345 PolarHBondContact O-OG1 2.95Å; G342-T345 PolarHBondContact O-N 3.3Å; G342-T345 PolarHBondContact O-OG1 2.93Å; T345-I347 VanDerWaalsContact C-N 3.27Å; T345-I347 PolarHBondContact O-N 2.84Å; T345-K351 WeakPolarHBondContact O-CE 3.23Å; T345-K351 WeakPolarHBondContact O-CG 3.15Å |
| 346 | R | 96.8 | Very high | 97.1 | Very high | 106 Ų | 106 | 40.5 Ų | 40.5 | 40% | 0.4 | 20% | 0.198 | S | C | . | . | G | 310 helix | trans | -68.8 | -20.6 | 172.7 | -65.8 | -178.8 | 168.1 | 111.9 | -3.9 | 113.6 | G343 A344 D369 | G343-R346 WeakPolarHBondContact O-CB 3.31Å; G343-R346 WeakPolarHBondContact O-CG 3.49Å; A344-R346 PolarHBondContact O-N 3.36Å; A344-R346 VanDerWaalsContact O-N 3.08Å; R346-D369 IonicContact CZ-OD1 2.71Å; R346-D369 IonicContact CZ-OD2 2.69Å; R346-D369 IonicContact NH1-OD1 2.61Å; R346-D369 PolarHBondContact NH1-OD1 3.1Å; R346-D369 IonicContact NH1-OD2 2.61Å; R346-D369 PolarHBondContact NH1-OD2 2.75Å; R346-D369 VanDerWaalsContact NH1-OD2 3.15Å; R346-D369 IonicContact NH2-OD1 2.64Å; R346-D369 IonicContact NH2-OD2 3.73Å; R346-D369 PolarHBondContact NH2-OD2 2.85Å |
| 347 | I | 97.4 | Very high | 97.1 | Very high | 4 Ų | 4 | 34.9 Ų | 34.9 | 2% | 0.021 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -65.5 | 126.2 | 178.1 | -62.7 | 170.9 | 0 | 0 | 0 | 109.9 | F236 K274 F306 A344 T345 A349 I350 K351 | F236-I347 HydrophobicContact CD1-CD1 4.15Å; F236-I347 HydrophobicContact CD2-CD1 4.27Å; F236-I347 HydrophobicContact CE1-CD1 4.4Å; F236-I347 HydrophobicContact CG-CD1 4.1Å; K274-I347 HydrophobicContact CD-CD1 4.41Å; F306-I347 HydrophobicContact CE1-CG2 4.48Å; A344-I347 HydrophobicContact CB-CD1 4.43Å; A344-I347 WeakPolarHBondContact O-CG1 3.21Å; A344-I347 PolarHBondContact O-N 3.08Å; A344-I347 VanDerWaalsContact O-N 3.16Å; T345-I347 VanDerWaalsContact C-N 3.27Å; T345-I347 PolarHBondContact O-N 2.84Å; I347-A349 PolarHBondContact O-N 3.34Å; I347-I350 HydrophobicContact CB-CB 4.37Å; I347-I350 HydrophobicContact CB-CG1 3.8Å; I347-I350 HydrophobicContact CG2-CG1 4.03Å; I347-I350 WeakPolarHBondContact O-CB 3.2Å; I347-I350 PolarHBondContact O-N 2.69Å; I347-I350 VanDerWaalsContact O-N 3.09Å; I347-K351 PolarHBondContact O-N 2.92Å |
| 348 | P | 97.1 | Very high | 97.1 | Very high | 35 Ų | 35 | 34.8 Ų | 34.8 | 23% | 0.227 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -55.6 | -49.4 | -175.6 | -30.7 | 38.5 | 0 | 0 | 0 | 114.9 | I350 K351 E352 | P348-I350 PolarHBondContact O-N 2.65Å; P348-I350 VanDerWaalsContact O-N 3.15Å; P348-K351 PolarHBondContact O-N 3.35Å; P348-E352 PolarHBondContact O-N 2.78Å |
| 349 | A | 97.3 | Very high | 97 | Very high | 13 Ų | 13 | 38 Ų | 38 | 11% | 0.107 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.7 | -22.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115 | E307 L314 I347 R353 | E307-A349 HydrophobicContact CG-CB 3.95Å; E307-A349 WeakPolarHBondContact OE1-CB 3.17Å; E307-A349 PolarHBondContact OE1-N 3.16Å; E307-A349 VanDerWaalsContact OE1-N 3.1Å; L314-A349 HydrophobicContact CD1-CB 3.87Å; L314-A349 HydrophobicContact CD2-CB 3.86Å; I347-A349 PolarHBondContact O-N 3.34Å; A349-R353 PolarHBondContact O-N 2.8Å |
| 350 | I | 97.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -71.4 | -48.6 | 172.3 | -60.5 | -64.9 | 0 | 0 | 0 | 110 | L203 F236 L314 V317 I347 P348 R353 I354 | L203-I350 HydrophobicContact CD2-CD1 3.93Å; L203-I350 HydrophobicContact CD2-CG1 4.02Å; L203-I350 HydrophobicContact CD2-CG2 3.99Å; F236-I350 HydrophobicContact CZ-CD1 4Å; L314-I350 HydrophobicContact CD2-CD1 3.63Å; L314-I350 HydrophobicContact CD2-CG1 4.3Å; V317-I350 HydrophobicContact CG2-CD1 3.58Å; I347-I350 HydrophobicContact CB-CB 4.37Å; I347-I350 HydrophobicContact CB-CG1 3.8Å; I347-I350 HydrophobicContact CG2-CG1 4.03Å; I347-I350 WeakPolarHBondContact O-CB 3.2Å; I347-I350 PolarHBondContact O-N 2.69Å; I347-I350 VanDerWaalsContact O-N 3.09Å; P348-I350 PolarHBondContact O-N 2.65Å; P348-I350 VanDerWaalsContact O-N 3.15Å; I350-R353 PolarHBondContact O-N 2.87Å; I350-I354 HydrophobicContact CG2-CD1 3.62Å; I350-I354 HydrophobicContact CG2-CG1 4.48Å; I350-I354 WeakPolarHBondContact O-CD1 3.43Å; I350-I354 WeakPolarHBondContact O-CG1 3.3Å; I350-I354 PolarHBondContact O-N 3.07Å; I350-I354 VanDerWaalsContact O-N 3.11Å |
| 351 | K | 96.9 | Very high | 96.7 | Very high | 86 Ų | 86 | 48.6 Ų | 48.6 | 37% | 0.374 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -60.2 | -49.4 | 175.7 | -60.1 | -175.1 | -178.2 | -179.1 | 0 | 111 | I340 T345 I347 P348 R353 I354 C355 L362 | I340-K351 HydrophobicContact CD1-CD 4.22Å; I340-K351 HydrophobicContact CD1-CG 4.07Å; T345-K351 WeakPolarHBondContact O-CE 3.23Å; T345-K351 WeakPolarHBondContact O-CG 3.15Å; I347-K351 PolarHBondContact O-N 2.92Å; P348-K351 PolarHBondContact O-N 3.35Å; K351-R353 PolarHBondContact O-N 2.99Å; K351-I354 PolarHBondContact O-N 3.25Å; K351-C355 WeakPolarHBondContact O-CB 3.37Å; K351-C355 PolarHBondContact O-N 3.37Å; K351-L362 HydrophobicContact CB-CD1 4.02Å; K351-L362 HydrophobicContact CG-CD1 4.47Å; K351-L362 WeakPolarHBondContact O-CD1 3.5Å |
| 352 | E | 96.9 | Very high | 96.7 | Very high | 124 Ų | 124 | 49.8 Ų | 49.8 | 58% | 0.579 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -9 | -86.7 | 148 | 179.4 | -137.5 | -160.6 | 0 | 0 | 114.1 | P348 C355 K356 | P348-E352 PolarHBondContact O-N 2.78Å; E352-C355 PolarHBondContact O-N 2.95Å; E352-K356 VanDerWaalsContact O-CB 3.3Å; E352-K356 WeakPolarHBondContact O-CB 3.33Å; E352-K356 PolarHBondContact O-N 2.85Å |
| 353 | R | 97.3 | Very high | 96.8 | Very high | 74 Ų | 74 | 52 Ų | 52 | 28% | 0.279 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -68.3 | -37.3 | -169.4 | -69.3 | 174.4 | 177.6 | -96 | 7.7 | 113.4 | L314 V317 E318 A349 I350 K351 F357 | L314-R353 WeakPolarHBondContact O-CD 3.47Å; L314-R353 PolarHBondContact O-NE 3.36Å; V317-R353 HydrophobicContact CG1-CB 4.35Å; E318-R353 IonicContact OE1-CZ 3.17Å; E318-R353 IonicContact OE1-NH1 3.86Å; E318-R353 PolarHBondContact OE1-NH1 3.13Å; A349-R353 PolarHBondContact O-N 2.8Å; I350-R353 PolarHBondContact O-N 2.87Å; K351-R353 PolarHBondContact O-N 2.99Å; R353-F357 WeakPolarHBondContact O-CB 3.45Å; R353-F357 PolarHBondContact O-N 2.94Å |
| 354 | I | 97.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -66.7 | -44.9 | 179.2 | -56.6 | 160.2 | 0 | 0 | 0 | 110 | V201 V317 L321 V338 I350 K351 F357 F358 L362 | V201-I354 HydrophobicContact CG1-CD1 3.8Å; V201-I354 HydrophobicContact CG1-CG1 4.46Å; V201-I354 HydrophobicContact CG2-CG2 4.19Å; V317-I354 HydrophobicContact CG1-CG1 4.12Å; L321-I354 HydrophobicContact CD1-CG1 4.27Å; V338-I354 HydrophobicContact CG1-CG2 4.04Å; I350-I354 HydrophobicContact CG2-CD1 3.62Å; I350-I354 HydrophobicContact CG2-CG1 4.48Å; I350-I354 WeakPolarHBondContact O-CD1 3.43Å; I350-I354 WeakPolarHBondContact O-CG1 3.3Å; I350-I354 PolarHBondContact O-N 3.07Å; I350-I354 VanDerWaalsContact O-N 3.11Å; K351-I354 PolarHBondContact O-N 3.25Å; I354-F357 PolarHBondContact O-N 2.86Å; I354-F358 HydrophobicContact CG2-CD2 3.86Å; I354-F358 HydrophobicContact CG2-CE2 3.9Å; I354-F358 WeakPolarHBondContact O-CD2 3.45Å; I354-F358 PolarHBondContact O-N 3.33Å; I354-F358 VanDerWaalsContact O-N 3.08Å; I354-L362 HydrophobicContact CB-CD1 3.97Å; I354-L362 HydrophobicContact CB-CD2 4.26Å; I354-L362 HydrophobicContact CG2-CD1 4.19Å; I354-L362 HydrophobicContact CG2-CD2 3.7Å |
| 355 | C | 97.1 | Very high | 96.7 | Very high | 48 Ų | 48 | 58 Ų | 58 | 32% | 0.324 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -59.8 | -51 | 175.6 | -179.9 | 0 | 0 | 0 | 0 | 111.1 | K351 E352 F357 F358 G359 K360 L362 | K351-C355 WeakPolarHBondContact O-CB 3.37Å; K351-C355 PolarHBondContact O-N 3.37Å; E352-C355 PolarHBondContact O-N 2.95Å; C355-F357 VanDerWaalsContact C-N 3.33Å; C355-F357 PolarHBondContact O-N 2.97Å; C355-F358 PolarHBondContact O-N 2.68Å; C355-G359 WeakPolarHBondContact O-CA 3.02Å; C355-G359 PolarHBondContact O-N 2.87Å; C355-K360 PolarHBondContact O-N 3.32Å; C355-K360 PolarHBondContact SG-O 2.82Å; C355-K360 VanDerWaalsContact SG-O 3.34Å; C355-L362 HydrophobicContact CB-CD1 4.18Å; C355-L362 HydrophobicContact CB-CD2 4.37Å; C355-L362 HydrophobicContact CB-CG 4.04Å |
| 356 | K | 97.1 | Very high | 96.6 | Very high | 160 Ų | 160 | 59.2 Ų | 59.2 | 70% | 0.696 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -62 | -36.2 | 177.9 | -173.9 | 176.4 | -176.6 | 173.3 | 0 | 113.1 | E352 | E352-K356 VanDerWaalsContact O-CB 3.3Å; E352-K356 WeakPolarHBondContact O-CB 3.33Å; E352-K356 PolarHBondContact O-N 2.85Å |
| 357 | F | 97.3 | Very high | 96.5 | Very high | 12 Ų | 12 | 57.5 Ų | 57.5 | 5% | 0.053 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -65.8 | -49.5 | 176.4 | 177.3 | -87.9 | 0 | 0 | 0 | 111.1 | L321 H322 M325 K332 R353 I354 C355 | L321-F357 HydrophobicContact CB-CD1 3.85Å; L321-F357 HydrophobicContact CB-CD2 4.13Å; L321-F357 HydrophobicContact CB-CE1 3.68Å; L321-F357 HydrophobicContact CB-CE2 3.95Å; L321-F357 HydrophobicContact CB-CG 4.09Å; L321-F357 HydrophobicContact CB-CZ 3.73Å; L321-F357 HydrophobicContact CD1-CB 3.96Å; L321-F357 HydrophobicContact CD1-CD1 3.99Å; L321-F357 HydrophobicContact CD1-CD2 4.38Å; L321-F357 HydrophobicContact CD1-CG 3.84Å; L321-F357 HydrophobicContact CG-CD1 4.45Å; H322-F357 AromaticContact CD2-CE2 3.69Å; H322-F357 AromaticContact CE1-CE2 3.88Å; H322-F357 AromaticContact CG-CE2 3.85Å; H322-F357 AromaticContact ND1-CE2 3.97Å; H322-F357 AromaticContact NE2-CE2 3.7Å; M325-F357 HydrophobicContact CG-CE1 4.04Å; M325-F357 HydrophobicContact CG-CZ 4.07Å; K332-F357 WeakPolarHBondContact CD-O 3.48Å; K332-F357 WeakPolarHBondContact CE-O 3.45Å; K332-F357 PolarHBondContact NZ-O 3.19Å; R353-F357 WeakPolarHBondContact O-CB 3.45Å; R353-F357 PolarHBondContact O-N 2.94Å; I354-F357 PolarHBondContact O-N 2.86Å; C355-F357 VanDerWaalsContact C-N 3.33Å; C355-F357 PolarHBondContact O-N 2.97Å |
| 358 | F | 96.9 | Very high | 96.2 | Very high | 5 Ų | 5 | 58.3 Ų | 58.3 | 2% | 0.022 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -81.9 | -19.4 | -177.4 | -71.8 | -66.4 | 0 | 0 | 0 | 114.4 | V199 L321 M325 I335 V338 I354 C355 K360 | V199-F358 HydrophobicContact CB-CZ 4.4Å; V199-F358 HydrophobicContact CG1-CZ 4Å; V199-F358 HydrophobicContact CG2-CE1 4.29Å; V199-F358 HydrophobicContact CG2-CZ 4.27Å; L321-F358 HydrophobicContact CD2-CE2 3.79Å; L321-F358 HydrophobicContact CD2-CZ 3.93Å; M325-F358 HydrophobicContact SD-CE1 4.07Å; I335-F358 HydrophobicContact CD1-CD1 3.54Å; I335-F358 HydrophobicContact CD1-CE1 3.46Å; I335-F358 VanDerWaalsContact CD1-CE1 3.46Å; V338-F358 HydrophobicContact CB-CD2 4.33Å; V338-F358 HydrophobicContact CG1-CD2 3.9Å; V338-F358 HydrophobicContact CG1-CE2 3.85Å; V338-F358 HydrophobicContact CG2-CB 4.09Å; V338-F358 HydrophobicContact CG2-CD1 4.24Å; V338-F358 HydrophobicContact CG2-CD2 3.58Å; V338-F358 HydrophobicContact CG2-CE2 4.01Å; V338-F358 HydrophobicContact CG2-CG 3.71Å; I354-F358 HydrophobicContact CG2-CD2 3.86Å; I354-F358 HydrophobicContact CG2-CE2 3.9Å; I354-F358 WeakPolarHBondContact O-CD2 3.45Å; I354-F358 PolarHBondContact O-N 3.33Å; I354-F358 VanDerWaalsContact O-N 3.08Å; C355-F358 PolarHBondContact O-N 2.68Å; F358-K360 VanDerWaalsContact C-N 3.25Å; F358-K360 HydrophobicContact CB-CB 4.3Å |
| 359 | G | 96.2 | Very high | 96.1 | Very high | 69 Ų | 69 | 58.7 Ų | 58.7 | 71% | 0.711 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.6 | 27.7 | -172 | 0 | 0 | 0 | 0 | 0 | 112.6 | C355 | C355-G359 WeakPolarHBondContact O-CA 3.02Å; C355-G359 PolarHBondContact O-N 2.87Å |
| 360 | K | 95 | Very high | 96 | Very high | 62 Ų | 62 | 58.8 Ų | 58.8 | 27% | 0.27 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -140.6 | 145.2 | -172.4 | -69.9 | 172.5 | -175.5 | -88.2 | 0 | 109.8 | K332 I335 C355 F358 | K332-K360 WeakPolarHBondContact O-CE 3.45Å; I335-K360 HydrophobicContact CG2-CD 4.39Å; I335-K360 WeakPolarHBondContact O-CE 3.49Å; I335-K360 PolarHBondContact O-NZ 3.37Å; C355-K360 PolarHBondContact O-N 3.32Å; C355-K360 PolarHBondContact SG-O 2.82Å; C355-K360 VanDerWaalsContact SG-O 3.34Å; F358-K360 VanDerWaalsContact C-N 3.25Å; F358-K360 HydrophobicContact CB-CB 4.3Å |
| 361 | E | 95.7 | Very high | 96 | Very high | 167 Ų | 167 | 58.9 Ų | 58.9 | 78% | 0.78 | 31% | 0.313 | S | S | * | . | P | Polyproline II helix | trans | -61.1 | 151 | 169.6 | -172.1 | 168.4 | -164.1 | 0 | 0 | 111.1 | ||
| 362 | L | 97.3 | Very high | 96 | Very high | 26 Ų | 26 | 55.3 Ų | 55.3 | 14% | 0.136 | 30% | 0.298 | C | S | . | . | P | Polyproline II helix | trans | -99.3 | 122.6 | -176 | -55.2 | -178.1 | 0 | 0 | 0 | 110.6 | V338 I340 K351 I354 C355 | V338-L362 HydrophobicContact CB-CD2 4Å; V338-L362 HydrophobicContact CG1-CD2 3.85Å; I340-L362 HydrophobicContact CD1-CB 4.33Å; I340-L362 HydrophobicContact CD1-CD1 4.3Å; I340-L362 HydrophobicContact CG2-CB 4.27Å; I340-L362 HydrophobicContact CG2-CD1 4.1Å; K351-L362 HydrophobicContact CB-CD1 4.02Å; K351-L362 HydrophobicContact CG-CD1 4.47Å; K351-L362 WeakPolarHBondContact O-CD1 3.5Å; I354-L362 HydrophobicContact CB-CD1 3.97Å; I354-L362 HydrophobicContact CB-CD2 4.26Å; I354-L362 HydrophobicContact CG2-CD1 4.19Å; I354-L362 HydrophobicContact CG2-CD2 3.7Å; C355-L362 HydrophobicContact CB-CD1 4.18Å; C355-L362 HydrophobicContact CB-CD2 4.37Å; C355-L362 HydrophobicContact CB-CG 4.04Å |
| 363 | N | 96.9 | Very high | 96.1 | Very high | 54 Ų | 54 | 49.4 Ų | 49.4 | 29% | 0.289 | 27% | 0.271 | S | S | . | . | B | Isolated β-bridge | trans | -78.3 | 145.6 | 177.7 | -73.9 | 8.8 | 0 | 0 | 0 | 111.5 | V338 E339 I340 T365 | V338-N363 PolarHBondContact O-N 3.3Å; E339-N363 WeakPolarHBondContact CA-O 3.16Å; E339-N363 HydrophobicContact CG-CB 4.15Å; E339-N363 WeakPolarHBondContact OE1-CB 3.37Å; E339-N363 PolarHBondContact OE1-ND2 3.04Å; E339-N363 VanDerWaalsContact OE2-CB 3.31Å; E339-N363 WeakPolarHBondContact OE2-CB 3.27Å; I340-N363 PolarHBondContact N-O 3.26Å; N363-T365 HydrophobicContact CB-CG2 4.33Å |
| 364 | T | 95.6 | Very high | 96.1 | Very high | 96 Ų | 96 | 48.9 Ų | 48.9 | 59% | 0.589 | 27% | 0.269 | S | S | * | . | trans | -128.6 | 48.1 | 169.6 | 49.1 | 0 | 0 | 0 | 0 | 110 | I340 L366 | I340-T364 HydrophobicContact CD1-CG2 4.02Å; I340-T364 HydrophobicContact CG1-CG2 3.65Å; T364-L366 PolarHBondContact O-N 2.75Å | ||
| 365 | T | 93.8 | Very high | 96 | Very high | 73 Ų | 73 | 48.9 Ų | 48.9 | 45% | 0.448 | 27% | 0.269 | S | S | . | . | trans | -75.5 | -8.8 | -177.3 | 70 | 0 | 0 | 0 | 0 | 113.4 | Y181 E339 N363 | Y181-T365 WeakPolarHBondContact CE2-OG1 3.5Å; E339-T365 VanDerWaalsContact CD-OG1 3.24Å; E339-T365 PolarHBondContact OE1-OG1 2.88Å; E339-T365 WeakPolarHBondContact OE2-CB 3.38Å; E339-T365 PolarHBondContact OE2-N 2.82Å; E339-T365 PolarHBondContact OE2-OG1 2.72Å; N363-T365 HydrophobicContact CB-CG2 4.33Å | ||
| 366 | L | 93.8 | Very high | 96.1 | Very high | 29 Ų | 29 | 46.6 Ų | 46.6 | 15% | 0.152 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -108 | 149.8 | 173.2 | -58 | 178.5 | 0 | 0 | 0 | 110.5 | V177 Y181 F200 V341 T364 A368 A371 | V177-L366 HydrophobicContact CG1-CD1 3.49Å; V177-L366 VanDerWaalsContact CG1-CD1 3.49Å; Y181-L366 HydrophobicContact CD2-CD1 4.48Å; Y181-L366 HydrophobicContact CD2-CD2 4.36Å; Y181-L366 HydrophobicContact CD2-CG 4.38Å; F200-L366 HydrophobicContact CE1-CD1 4.13Å; V341-L366 HydrophobicContact CG1-CB 4.45Å; V341-L366 HydrophobicContact CG1-CD1 4.38Å; T364-L366 PolarHBondContact O-N 2.75Å; L366-A368 PolarHBondContact O-N 2.82Å; L366-A368 VanDerWaalsContact O-N 3.17Å; L366-A371 HydrophobicContact CB-CB 4.15Å; L366-A371 HydrophobicContact CD1-CB 4.2Å |
| 367 | N | 94.8 | Very high | 96.1 | Very high | 71 Ų | 71 | 39 Ų | 39 | 38% | 0.38 | 22% | 0.22 | S | C | . | . | trans | -68.1 | 112.8 | 164.1 | 178.5 | -28.9 | 0 | 0 | 0 | 108.8 | D369 E370 A371 | N367-D369 PolarHBondContact O-N 2.86Å; N367-D369 VanDerWaalsContact O-N 3.11Å; N367-D369 PolarHBondContact OD1-N 2.81Å; N367-E370 HydrophobicContact CB-CB 4.06Å; N367-E370 HydrophobicContact CB-CG 4.41Å; N367-E370 VanDerWaalsContact ND2-CG 3.32Å; N367-E370 WeakPolarHBondContact ND2-CG 3.44Å; N367-E370 PolarHBondContact ND2-OE1 3.33Å; N367-E370 PolarHBondContact O-N 2.87Å; N367-E370 PolarHBondContact OD1-N 3.01Å; N367-A371 VanDerWaalsContact O-CB 3.3Å; N367-A371 WeakPolarHBondContact O-CB 3.38Å; N367-A371 PolarHBondContact O-N 2.8Å | ||
| 368 | A | 92.9 | Very high | 96 | Very high | 21 Ų | 21 | 38.9 Ų | 38.9 | 17% | 0.174 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -19.2 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | G342 L366 | G342-A368 PolarHBondContact N-O 3.16Å; L366-A368 PolarHBondContact O-N 2.82Å; L366-A368 VanDerWaalsContact O-N 3.17Å |
| 369 | D | 94.1 | Very high | 96 | Very high | 43 Ų | 43 | 38.9 Ų | 38.9 | 23% | 0.23 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | -34.5 | 176.8 | -52.6 | -54.3 | 0 | 0 | 0 | 112.3 | Y14 R346 N367 | Y14-D369 WeakPolarHBondContact CD2-O 3.24Å; Y14-D369 HydrophobicContact CE1-CB 4.22Å; Y14-D369 HydrophobicContact CE2-CB 4.11Å; R346-D369 IonicContact CZ-OD1 2.71Å; R346-D369 IonicContact CZ-OD2 2.69Å; R346-D369 IonicContact NH1-OD1 2.61Å; R346-D369 PolarHBondContact NH1-OD1 3.1Å; R346-D369 IonicContact NH1-OD2 2.61Å; R346-D369 PolarHBondContact NH1-OD2 2.75Å; R346-D369 VanDerWaalsContact NH1-OD2 3.15Å; R346-D369 IonicContact NH2-OD1 2.64Å; R346-D369 IonicContact NH2-OD2 3.73Å; R346-D369 PolarHBondContact NH2-OD2 2.85Å; N367-D369 PolarHBondContact O-N 2.86Å; N367-D369 VanDerWaalsContact O-N 3.11Å; N367-D369 PolarHBondContact OD1-N 2.81Å |
| 370 | E | 95.9 | Very high | 96 | Very high | 15 Ų | 15 | 35.6 Ų | 35.6 | 7% | 0.07 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -18.1 | -175.6 | -63.9 | -178.6 | -169 | 0 | 0 | 114.6 | T25 R33 N367 V372 A373 R374 | T25-E370 HydrophobicContact CG2-CB 3.74Å; T25-E370 HydrophobicContact CG2-CG 3.71Å; T25-E370 PolarHBondContact OG1-OE1 3.26Å; T25-E370 PolarHBondContact OG1-OE2 2.92Å; R33-E370 WeakPolarHBondContact CD-OE1 3.33Å; R33-E370 IonicContact CZ-OE1 2.66Å; R33-E370 IonicContact NE-OE1 3.59Å; R33-E370 IonicContact NH1-OE1 2.99Å; R33-E370 PolarHBondContact NH1-OE1 3.05Å; R33-E370 IonicContact NH1-OE2 3.19Å; N367-E370 HydrophobicContact CB-CB 4.06Å; N367-E370 HydrophobicContact CB-CG 4.41Å; N367-E370 VanDerWaalsContact ND2-CG 3.32Å; N367-E370 WeakPolarHBondContact ND2-CG 3.44Å; N367-E370 PolarHBondContact ND2-OE1 3.33Å; N367-E370 PolarHBondContact O-N 2.87Å; N367-E370 PolarHBondContact OD1-N 3.01Å; E370-V372 VanDerWaalsContact C-N 3.35Å; E370-V372 PolarHBondContact O-N 2.97Å; E370-A373 PolarHBondContact O-N 2.76Å; E370-R374 HydrophobicContact CB-CG 4.42Å; E370-R374 WeakPolarHBondContact O-CB 3.11Å; E370-R374 WeakPolarHBondContact O-CG 3.31Å; E370-R374 PolarHBondContact O-N 2.89Å; E370-R374 IonicContact OE2-CZ 2.78Å; E370-R374 VanDerWaalsContact OE2-CZ 3.25Å; E370-R374 IonicContact OE2-NE 3.72Å; E370-R374 PolarHBondContact OE2-NE 2.64Å; E370-R374 IonicContact OE2-NH2 3.42Å; E370-R374 PolarHBondContact OE2-NH2 2.8Å |
| 371 | A | 96.2 | Very high | 96 | Very high | 2 Ų | 2 | 32.8 Ų | 32.8 | 2% | 0.017 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59.3 | -39.5 | -168 | 0 | 0 | 0 | 0 | 0 | 114 | V177 V341 L366 N367 G375 | V177-A371 HydrophobicContact CG1-CB 4.34Å; V177-A371 HydrophobicContact CG2-CB 3.99Å; V341-A371 HydrophobicContact CG1-CB 4.43Å; L366-A371 HydrophobicContact CB-CB 4.15Å; L366-A371 HydrophobicContact CD1-CB 4.2Å; N367-A371 VanDerWaalsContact O-CB 3.3Å; N367-A371 WeakPolarHBondContact O-CB 3.38Å; N367-A371 PolarHBondContact O-N 2.8Å; A371-G375 PolarHBondContact O-N 3.3Å |
| 372 | V | 97.8 | Very high | 95.9 | Very high | 11 Ų | 11 | 27.4 Ų | 27.4 | 7% | 0.067 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -65 | -50.8 | 179.8 | -177.8 | 0 | 0 | 0 | 0 | 110.8 | D7 E173 A176 V177 E370 R374 G375 C376 | D7-V372 HydrophobicContact CB-CB 3.99Å; D7-V372 HydrophobicContact CB-CG1 3.89Å; D7-V372 VanDerWaalsContact OD1-CG1 3.23Å; D7-V372 WeakPolarHBondContact OD1-CG1 3.44Å; E173-V372 HydrophobicContact CB-CG1 4.32Å; E173-V372 HydrophobicContact CB-CG2 4.45Å; E173-V372 HydrophobicContact CG-CG1 4.11Å; A176-V372 HydrophobicContact CB-CG1 4.18Å; A176-V372 WeakPolarHBondContact CB-O 3.39Å; V177-V372 HydrophobicContact CG2-CB 4.47Å; V177-V372 HydrophobicContact CG2-CG2 3.59Å; E370-V372 VanDerWaalsContact C-N 3.35Å; E370-V372 PolarHBondContact O-N 2.97Å; V372-R374 PolarHBondContact O-N 3.48Å; V372-G375 PolarHBondContact O-N 2.69Å; V372-C376 PolarHBondContact O-N 3.17Å; V372-C376 PolarHBondContact O-SG 3.12Å |
| 373 | A | 98.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.9 | -43.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | D7 Y14 A16 E370 G375 C376 A377 | D7-A373 HydrophobicContact CB-CB 3.82Å; Y14-A373 WeakPolarHBondContact O-CB 3.34Å; A16-A373 HydrophobicContact CB-CB 3.95Å; A16-A373 WeakPolarHBondContact CB-O 3.3Å; E370-A373 PolarHBondContact O-N 2.76Å; A373-G375 VanDerWaalsContact C-N 3.31Å; A373-G375 PolarHBondContact O-N 2.72Å; A373-C376 PolarHBondContact O-N 2.61Å; A373-A377 PolarHBondContact O-N 3.47Å |
| 374 | R | 97.2 | Very high | 95.4 | Very high | 62 Ų | 62 | 27.6 Ų | 27.6 | 23% | 0.234 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -57.5 | -43.6 | 173.9 | -72.6 | 172 | 171.5 | -84.5 | -2.5 | 111.6 | I23 T25 E370 V372 A377 L378 | I23-R374 HydrophobicContact CG2-CB 4.36Å; I23-R374 HydrophobicContact CG2-CG 4.38Å; I23-R374 PolarHBondContact O-NH1 3.27Å; T25-R374 HydrophobicContact CG2-CG 4.13Å; E370-R374 HydrophobicContact CB-CG 4.42Å; E370-R374 WeakPolarHBondContact O-CB 3.11Å; E370-R374 WeakPolarHBondContact O-CG 3.31Å; E370-R374 PolarHBondContact O-N 2.89Å; E370-R374 IonicContact OE2-CZ 2.78Å; E370-R374 VanDerWaalsContact OE2-CZ 3.25Å; E370-R374 IonicContact OE2-NE 3.72Å; E370-R374 PolarHBondContact OE2-NE 2.64Å; E370-R374 IonicContact OE2-NH2 3.42Å; E370-R374 PolarHBondContact OE2-NH2 2.8Å; V372-R374 PolarHBondContact O-N 3.48Å; R374-A377 PolarHBondContact O-N 3.39Å; R374-L378 WeakPolarHBondContact O-CB 3.4Å; R374-L378 VanDerWaalsContact O-CG 3.29Å; R374-L378 WeakPolarHBondContact O-CG 3.32Å; R374-L378 PolarHBondContact O-N 3.18Å |
| 375 | G | 97.2 | Very high | 95 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.5 | -45.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | A176 A371 V372 A373 A377 L378 Q379 | A176-G375 VanDerWaalsContact O-CA 3.25Å; A176-G375 WeakPolarHBondContact O-CA 3.48Å; A371-G375 PolarHBondContact O-N 3.3Å; V372-G375 PolarHBondContact O-N 2.69Å; A373-G375 VanDerWaalsContact C-N 3.31Å; A373-G375 PolarHBondContact O-N 2.72Å; G375-A377 VanDerWaalsContact C-N 3.34Å; G375-A377 PolarHBondContact O-N 3.26Å; G375-L378 PolarHBondContact O-N 3.22Å; G375-Q379 WeakPolarHBondContact O-CB 3.47Å; G375-Q379 PolarHBondContact O-N 3.04Å |
| 376 | C | 98.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.9 | -41.8 | 175.6 | -65.1 | 0 | 0 | 0 | 0 | 111.6 | V141 V372 A373 Q379 C380 | V141-C376 HydrophobicContact CB-CB 4.18Å; V141-C376 WeakPolarHBondContact CB-O 3.44Å; V141-C376 HydrophobicContact CG1-CB 3.82Å; V372-C376 PolarHBondContact O-N 3.17Å; V372-C376 PolarHBondContact O-SG 3.12Å; A373-C376 PolarHBondContact O-N 2.61Å; C376-Q379 PolarHBondContact O-N 3.17Å; C376-C380 WeakPolarHBondContact O-CB 3.45Å; C376-C380 PolarHBondContact O-N 3.25Å |
| 377 | A | 97.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -69.4 | -37.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | V3 A16 I23 A373 R374 G375 C380 A381 | V3-A377 VanDerWaalsContact CG1-O 3.31Å; V3-A377 WeakPolarHBondContact CG1-O 3.43Å; A16-A377 HydrophobicContact CB-CB 3.69Å; I23-A377 HydrophobicContact CD1-CB 4.28Å; I23-A377 HydrophobicContact CG2-CB 3.64Å; A373-A377 PolarHBondContact O-N 3.47Å; R374-A377 PolarHBondContact O-N 3.39Å; G375-A377 VanDerWaalsContact C-N 3.34Å; G375-A377 PolarHBondContact O-N 3.26Å; A377-C380 PolarHBondContact O-N 3.34Å; A377-A381 PolarHBondContact O-N 3.15Å |
| 378 | L | 95.8 | Very high | 93.4 | Very high | 10 Ų | 10 | 38.5 Ų | 38.5 | 5% | 0.052 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60 | -44.9 | 169.1 | -74.9 | 164.6 | 0 | 0 | 0 | 111.5 | I23 L179 A180 I183 Y184 R374 G375 C380 A381 I382 | I23-L378 HydrophobicContact CG1-CD2 3.67Å; I23-L378 HydrophobicContact CG1-CG 3.96Å; L179-L378 HydrophobicContact CD2-CB 3.76Å; L179-L378 HydrophobicContact CG-CB 4.13Å; L179-L378 HydrophobicContact CG-CD1 4.39Å; A180-L378 HydrophobicContact CB-CD1 4.29Å; I183-L378 HydrophobicContact CD1-CD2 4.38Å; I183-L378 HydrophobicContact CG2-CD1 3.75Å; I183-L378 HydrophobicContact CG2-CD2 4.06Å; Y184-L378 HydrophobicContact CE2-CD1 4.08Å; R374-L378 WeakPolarHBondContact O-CB 3.4Å; R374-L378 VanDerWaalsContact O-CG 3.29Å; R374-L378 WeakPolarHBondContact O-CG 3.32Å; R374-L378 PolarHBondContact O-N 3.18Å; G375-L378 PolarHBondContact O-N 3.22Å; L378-C380 VanDerWaalsContact C-N 3.33Å; L378-C380 PolarHBondContact O-N 3.47Å; L378-A381 WeakPolarHBondContact O-CB 3.18Å; L378-A381 PolarHBondContact O-N 2.84Å; L378-I382 WeakPolarHBondContact O-CG1 3.45Å; L378-I382 PolarHBondContact O-N 3.37Å |
| 379 | Q | 96.5 | Very high | 93.1 | Very high | 6 Ų | 6 | 40.4 Ų | 40.4 | 3% | 0.028 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65.4 | -36.1 | 176.4 | 178.4 | 61.5 | 94.6 | 0 | 0 | 112.3 | V141 M171 L179 G375 C376 A381 I382 L383 | V141-Q379 HydrophobicContact CG1-CB 4.23Å; V141-Q379 HydrophobicContact CG1-CG 4.1Å; V141-Q379 HydrophobicContact CG2-CB 4.42Å; V141-Q379 HydrophobicContact CG2-CG 4.11Å; M171-Q379 HydrophobicContact CE-CB 4Å; M171-Q379 HydrophobicContact CE-CG 4.2Å; M171-Q379 HydrophobicContact SD-CB 3.56Å; M171-Q379 VanDerWaalsContact SD-CB 3.56Å; M171-Q379 HydrophobicContact SD-CG 3.8Å; L179-Q379 HydrophobicContact CD2-CB 3.92Å; G375-Q379 WeakPolarHBondContact O-CB 3.47Å; G375-Q379 PolarHBondContact O-N 3.04Å; C376-Q379 PolarHBondContact O-N 3.17Å; Q379-A381 VanDerWaalsContact C-N 3.35Å; Q379-I382 PolarHBondContact O-N 3.11Å; Q379-L383 HydrophobicContact CG-CD1 4.21Å; Q379-L383 WeakPolarHBondContact O-CG 3.44Å; Q379-L383 PolarHBondContact O-N 2.67Å; Q379-L383 VanDerWaalsContact O-N 3.14Å |
| 380 | C | 96.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65.7 | -38.2 | 173.3 | -173.1 | 0 | 0 | 0 | 0 | 111.2 | V3 V4 V141 C376 A377 L378 L383 S384 | V3-C380 HydrophobicContact CG1-CB 4.06Å; V4-C380 PolarHBondContact N-SG 2.98Å; V4-C380 VanDerWaalsContact N-SG 3.41Å; V141-C380 HydrophobicContact CB-CB 4.19Å; V141-C380 HydrophobicContact CG2-CB 3.7Å; C376-C380 WeakPolarHBondContact O-CB 3.45Å; C376-C380 PolarHBondContact O-N 3.25Å; A377-C380 PolarHBondContact O-N 3.34Å; L378-C380 VanDerWaalsContact C-N 3.33Å; L378-C380 PolarHBondContact O-N 3.47Å; C380-L383 PolarHBondContact O-N 3.15Å; C380-S384 PolarHBondContact O-N 2.77Å |
| 381 | A | 94.4 | Very high | 92.3 | Very high | 2 Ų | 2 | 50.4 Ų | 50.4 | 2% | 0.017 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.2 | -44.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | V3 A377 L378 Q379 L383 S384 V389 | V3-A381 HydrophobicContact CG1-CB 3.9Å; V3-A381 HydrophobicContact CG2-CB 4.43Å; A377-A381 PolarHBondContact O-N 3.15Å; L378-A381 WeakPolarHBondContact O-CB 3.18Å; L378-A381 PolarHBondContact O-N 2.84Å; Q379-A381 VanDerWaalsContact C-N 3.35Å; A381-L383 PolarHBondContact O-N 3.32Å; A381-S384 WeakPolarHBondContact O-CB 3.5Å; A381-S384 PolarHBondContact O-N 3.37Å; A381-V389 HydrophobicContact CB-CG1 3.66Å |
| 382 | I | 93.7 | Very high | 92.1 | Very high | 54 Ų | 54 | 50.9 Ų | 50.9 | 28% | 0.277 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -59.1 | -32.5 | 175.7 | -68.8 | 166.3 | 0 | 0 | 0 | 112 | L179 L378 Q379 V389 I394 | L179-I382 HydrophobicContact CD1-CD1 4.17Å; L179-I382 HydrophobicContact CD2-CD1 4.09Å; L378-I382 WeakPolarHBondContact O-CG1 3.45Å; L378-I382 PolarHBondContact O-N 3.37Å; Q379-I382 PolarHBondContact O-N 3.11Å; I382-V389 HydrophobicContact CB-CG2 4.3Å; I382-V389 HydrophobicContact CG1-CG2 3.67Å; I382-I394 HydrophobicContact CD1-CD1 4.18Å |
| 383 | L | 93.2 | Very high | 91.9 | Very high | 76 Ų | 76 | 53.3 Ų | 53.3 | 40% | 0.398 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | -3.7 | 178.4 | -65.6 | 168.5 | 0 | 0 | 0 | 113.4 | V141 L168 R169 Q379 C380 A381 | V141-L383 HydrophobicContact CG2-CD1 4.32Å; L168-L383 HydrophobicContact CB-CD1 3.91Å; L168-L383 HydrophobicContact CD1-CB 3.99Å; R169-L383 HydrophobicContact CB-CD1 3.96Å; Q379-L383 HydrophobicContact CG-CD1 4.21Å; Q379-L383 WeakPolarHBondContact O-CG 3.44Å; Q379-L383 PolarHBondContact O-N 2.67Å; Q379-L383 VanDerWaalsContact O-N 3.14Å; C380-L383 PolarHBondContact O-N 3.15Å; A381-L383 PolarHBondContact O-N 3.32Å |
| 384 | S | 89.7 | Confident | 91.8 | Very high | 8 Ų | 8 | 54.6 Ų | 54.6 | 6% | 0.056 | 28% | 0.283 | C | S | . | . | trans | -93.1 | 121.2 | -175.3 | -169.1 | 0 | 0 | 0 | 0 | 112.1 | M1 C380 A381 A386 F387 | M1-S384 PolarHBondContact SD-OG 2.9Å; C380-S384 PolarHBondContact O-N 2.77Å; A381-S384 WeakPolarHBondContact O-CB 3.5Å; A381-S384 PolarHBondContact O-N 3.37Å; S384-A386 PolarHBondContact O-N 2.98Å; S384-A386 PolarHBondContact OG-N 3.4Å; S384-F387 PolarHBondContact O-N 3.44Å | ||
| 385 | P | 87.3 | Confident | 91.8 | Very high | 124 Ų | 124 | 53.9 Ų | 53.9 | 81% | 0.805 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -10.3 | 174.8 | 29.3 | -35.9 | 0 | 0 | 0 | 113.2 | ||
| 386 | A | 85.3 | Confident | 91.7 | Very high | 71 Ų | 71 | 54.3 Ų | 54.3 | 59% | 0.587 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | -15.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | S384 | S384-A386 PolarHBondContact O-N 2.98Å; S384-A386 PolarHBondContact OG-N 3.4Å |
| 387 | F | 83.3 | Confident | 91.6 | Very high | 83 Ų | 83 | 54.8 Ų | 54.8 | 36% | 0.364 | 29% | 0.291 | S | S | . | . | trans | -118.1 | 108.8 | -174.9 | -75.8 | -99 | 0 | 0 | 0 | 111.2 | V3 A18 S384 V389 | V3-F387 HydrophobicContact CB-CE2 4.3Å; V3-F387 HydrophobicContact CB-CZ 4.5Å; V3-F387 HydrophobicContact CG2-CD2 3.42Å; V3-F387 VanDerWaalsContact CG2-CD2 3.42Å; V3-F387 HydrophobicContact CG2-CE2 3.52Å; V3-F387 HydrophobicContact CG2-CG 3.97Å; V3-F387 HydrophobicContact CG2-CZ 4.13Å; A18-F387 HydrophobicContact CB-CD1 4.3Å; A18-F387 HydrophobicContact CB-CE1 3.7Å; A18-F387 HydrophobicContact CB-CZ 4.13Å; S384-F387 PolarHBondContact O-N 3.44Å; F387-V389 PolarHBondContact O-N 2.68Å | ||
| 388 | K | 82 | Confident | 91.4 | Very high | 220 Ų | 220 | 55 Ų | 55 | 96% | 0.957 | 29% | 0.293 | S | S | * | . | trans | -75.3 | 103.8 | 169.6 | -69.8 | -174.1 | 177.8 | -177.2 | 0 | 109.5 | ||||
| 389 | V | 86.2 | Confident | 91.2 | Very high | 62 Ų | 62 | 55.2 Ų | 55.2 | 38% | 0.376 | 29% | 0.294 | S | S | . | . | trans | -105.8 | 165.5 | 172.1 | -66.9 | 0 | 0 | 0 | 0 | 111.2 | A381 I382 F387 E391 | A381-V389 HydrophobicContact CB-CG1 3.66Å; I382-V389 HydrophobicContact CB-CG2 4.3Å; I382-V389 HydrophobicContact CG1-CG2 3.67Å; F387-V389 PolarHBondContact O-N 2.68Å; V389-E391 PolarHBondContact O-N 2.68Å | ||
| 390 | R | 85.8 | Confident | 91 | Very high | 88 Ų | 88 | 55.6 Ų | 55.6 | 33% | 0.332 | 30% | 0.296 | S | S | . | . | trans | -57.1 | 129.9 | 171.3 | -174.9 | -171.5 | -163.7 | 167 | 15.3 | 109.6 | I183 K185 Q186 F392 | I183-R390 HydrophobicContact CG1-CB 4.44Å; I183-R390 PolarHBondContact O-NH1 3.01Å; K185-R390 PolarHBondContact O-NH1 2.74Å; Q186-R390 VanDerWaalsContact OE1-CZ 3.29Å; R390-F392 PolarHBondContact O-N 3.33Å | ||
| 391 | E | 86.6 | Confident | 90.9 | Very high | 179 Ų | 179 | 56.4 Ų | 56.4 | 84% | 0.836 | 30% | 0.302 | S | S | * | . | trans | -57.8 | 121.7 | 173.1 | -67.6 | -173 | 175.3 | 0 | 0 | 110.5 | V389 | V389-E391 PolarHBondContact O-N 2.68Š| ||
| 392 | F | 92.4 | Very high | 91 | Very high | 12 Ų | 12 | 56.5 Ų | 56.5 | 5% | 0.053 | 30% | 0.302 | C | S | . | . | trans | -146.8 | 102.3 | -178.3 | -161.7 | -88.4 | 0 | 0 | 0 | 109.9 | L179 I183 F215 G218 L220 R390 I394 | L179-F392 HydrophobicContact CD1-CD1 3.34Å; L179-F392 HydrophobicContact CD1-CE1 3.63Å; L179-F392 HydrophobicContact CD1-CG 4.16Å; I183-F392 HydrophobicContact CB-CD2 4.19Å; I183-F392 HydrophobicContact CB-CE2 4.48Å; I183-F392 HydrophobicContact CB-CG 4.36Å; I183-F392 HydrophobicContact CD1-CB 3.99Å; I183-F392 HydrophobicContact CD1-CG 4.39Å; I183-F392 HydrophobicContact CG1-CB 4.17Å; I183-F392 HydrophobicContact CG1-CD2 4.08Å; I183-F392 HydrophobicContact CG1-CG 4.17Å; F215-F392 HydrophobicContact CD1-CZ 4.32Å; F215-F392 HydrophobicContact CE1-CZ 4.4Å; G218-F392 WeakPolarHBondContact O-CA 3.38Å; L220-F392 HydrophobicContact CB-CE1 3.51Å; L220-F392 HydrophobicContact CB-CZ 3.9Å; L220-F392 HydrophobicContact CD2-CE1 4.4Å; R390-F392 PolarHBondContact O-N 3.33Å; F392-I394 HydrophobicContact CD1-CG1 3.95Å; F392-I394 HydrophobicContact CE1-CG1 4.3Å | ||
| 393 | S | 93.8 | Very high | 91.1 | Very high | 63 Ų | 63 | 54 Ų | 54 | 44% | 0.441 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 137.5 | -179.4 | 59.2 | 0 | 0 | 0 | 0 | 111.3 | G218 K219 L220 | G218-S393 PolarHBondContact O-N 3Å; G218-S393 PolarHBondContact O-OG 3.09Å; K219-S393 WeakPolarHBondContact CA-O 3.49Å; K219-S393 WeakPolarHBondContact CA-OG 3.5Å; L220-S393 PolarHBondContact N-O 3.27Å |
| 394 | I | 96.2 | Very high | 91.2 | Very high | 26 Ų | 26 | 50.4 Ų | 50.4 | 13% | 0.133 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 114.3 | -174.8 | -56.3 | 158.3 | 0 | 0 | 0 | 108.7 | M171 T175 L179 L220 I382 F392 | M171-I394 HydrophobicContact CE-CD1 4.49Å; T175-I394 HydrophobicContact CG2-CG2 3.94Å; L179-I394 HydrophobicContact CD1-CD1 3.84Å; L179-I394 HydrophobicContact CD1-CG1 4.28Å; L179-I394 HydrophobicContact CD2-CD1 3.77Å; L179-I394 HydrophobicContact CG-CD1 4.27Å; L220-I394 HydrophobicContact CD2-CG2 4.17Å; L220-I394 WeakPolarHBondContact O-CA 3.36Å; I382-I394 HydrophobicContact CD1-CD1 4.18Å; F392-I394 HydrophobicContact CD1-CG1 3.95Å; F392-I394 HydrophobicContact CE1-CG1 4.3Å |
| 395 | T | 96.4 | Very high | 91.3 | Very high | 48 Ų | 48 | 52.7 Ų | 52.7 | 29% | 0.294 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 113.1 | 170.1 | -54.3 | 0 | 0 | 0 | 0 | 109 | L220 K221 I222 A425 | L220-T395 PolarHBondContact O-N 2.84Å; K221-T395 HydrophobicContact CG-CG2 4.31Å; I222-T395 PolarHBondContact N-O 3.2Å; T395-A425 HydrophobicContact CG2-CB 3.73Å |
| 396 | D | 96.6 | Very high | 91.5 | Very high | 9 Ų | 9 | 48.5 Ų | 48.5 | 5% | 0.048 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | -179.5 | 176.8 | -149.6 | -30.7 | 0 | 0 | 0 | 109.8 | R169 N172 A425 A426 | R169-D396 IonicContact NH2-OD2 3.17Å; R169-D396 PolarHBondContact NH2-OD2 2.73Å; N172-D396 PolarHBondContact ND2-OD1 3.45Å; N172-D396 PolarHBondContact ND2-OD2 3.16Å; D396-A425 CarbonylContact O-C 3.57Å; D396-A425 WeakPolarHBondContact O-CA 3.15Å; D396-A426 PolarHBondContact N-O 3.29Å; D396-A426 VanDerWaalsContact N-O 3.12Å; D396-A426 PolarHBondContact O-N 2.82Å |
| 397 | V | 95.8 | Very high | 91.5 | Very high | 9 Ų | 9 | 50.5 Ų | 50.5 | 6% | 0.055 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 151.6 | -179.5 | -70.9 | 0 | 0 | 0 | 0 | 113.6 | I222 N423 H424 | I222-V397 HydrophobicContact CB-CG1 4.12Å; I222-V397 HydrophobicContact CB-CG2 4.06Å; I222-V397 HydrophobicContact CG2-CG1 4.36Å; I222-V397 HydrophobicContact CG2-CG2 3.63Å; I222-V397 WeakPolarHBondContact O-CG1 3.4Å; V397-N423 HydrophobicContact CG1-CB 4.48Å; V397-H424 CarbonylContact C-O 3.52Å; V397-H424 WeakPolarHBondContact CA-O 3.41Å |
| 398 | V | 93.5 | Very high | 90.8 | Very high | 6 Ų | 6 | 48 Ų | 48 | 4% | 0.036 | 24% | 0.241 | C | C | . | . | trans | -80.5 | 121.4 | 171.1 | -166.9 | 0 | 0 | 0 | 0 | 109.5 | Y400 I402 N423 H424 A426 V484 | V398-Y400 WeakPolarHBondContact CG1-O 3.49Å; V398-Y400 PolarHBondContact O-N 3.06Å; V398-I402 HydrophobicContact CG1-CD1 4.14Å; V398-N423 PolarHBondContact O-N 3.08Å; V398-H424 HydrophobicContact CG2-CB 4.34Å; V398-H424 PolarHBondContact N-O 3.13Å; V398-A426 HydrophobicContact CG2-CB 4.08Å; V398-V484 HydrophobicContact CG2-CB 4.43Å; V398-V484 HydrophobicContact CG2-CG1 4.22Å; V398-V484 HydrophobicContact CG2-CG2 4.17Å | ||
| 399 | P | 90 | Very high | 89.8 | Confident | 14 Ų | 14 | 41.5 Ų | 41.5 | 9% | 0.091 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -74 | -23.7 | -174.7 | 30.3 | -37.8 | 0 | 0 | 0 | 114 | S146 K422 | S146-P399 WeakPolarHBondContact O-CB 3.33Å; S146-P399 WeakPolarHBondContact O-CG 3.45Å; P399-K422 WeakPolarHBondContact O-CE 3.22Å |
| 400 | Y | 93.4 | Very high | 88.6 | Confident | 13 Ų | 13 | 43.2 Ų | 43.2 | 5% | 0.051 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -128.3 | 141.7 | -175.8 | -59.1 | -62.7 | 0 | 0 | 0 | 110.6 | Y147 T149 F227 V398 Y446 E451 L452 | Y147-Y400 WeakPolarHBondContact O-CE2 3.44Å; Y147-Y400 PolarHBondContact O-OH 3.42Å; Y147-Y400 VanDerWaalsContact O-OH 3.07Å; T149-Y400 HydrophobicContact CG2-CE2 4.09Å; F227-Y400 AromaticContact CZ-CE1 3.8Å; F227-Y400 HydrophobicContact CZ-CE1 3.8Å; F227-Y400 AromaticContact CZ-CZ 3.86Å; F227-Y400 WeakPolarHBondContact CZ-OH 3.43Å; V398-Y400 WeakPolarHBondContact CG1-O 3.49Å; V398-Y400 PolarHBondContact O-N 3.06Å; Y400-Y446 VanDerWaalsContact CB-CD1 3.5Å; Y400-Y446 HydrophobicContact CD2-CE1 4.1Å; Y400-Y446 HydrophobicContact CG-CD1 4.25Å; Y400-Y446 HydrophobicContact CG-CE1 4.22Å; Y400-E451 WeakPolarHBondContact CE1-O 3.41Å; Y400-L452 HydrophobicContact CD1-CD1 4.4Å; Y400-L452 HydrophobicContact CD2-CD1 4.36Å; Y400-L452 HydrophobicContact CE1-CD1 4.29Å; Y400-L452 HydrophobicContact CE2-CD1 4.25Å; Y400-L452 HydrophobicContact CG-CD1 4.44Å |
| 401 | S | 93.9 | Very high | 87.2 | Confident | 18 Ų | 18 | 44.8 Ų | 44.8 | 13% | 0.126 | 26% | 0.26 | C | S | . | . | trans | -71 | 132.8 | 173.5 | 30.2 | 0 | 0 | 0 | 0 | 111.7 | E418 F420 Y446 N447 | S401-E418 WeakPolarHBondContact CB-OE1 3.24Å; S401-F420 CarbonylContact C-O 3.57Å; S401-F420 WeakPolarHBondContact CA-O 3.44Å; S401-Y446 WeakPolarHBondContact O-CA 3.26Å; S401-N447 PolarHBondContact O-N 3.37Å | ||
| 402 | I | 95.8 | Very high | 85.5 | Confident | 4 Ų | 4 | 45.3 Ų | 45.3 | 2% | 0.021 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 120.9 | -177.4 | -55.6 | 173.5 | 0 | 0 | 0 | 110.2 | V398 V419 F420 Y445 Y446 I459 V484 F490 | V398-I402 HydrophobicContact CG1-CD1 4.14Å; I402-V419 PolarHBondContact O-N 3.11Å; I402-F420 HydrophobicContact CB-CB 4.42Å; I402-F420 HydrophobicContact CB-CD2 4.43Å; I402-F420 PolarHBondContact N-O 3.36Å; I402-F420 PolarHBondContact O-N 3.22Å; I402-F420 VanDerWaalsContact O-N 3.12Å; I402-Y445 WeakPolarHBondContact CA-O 3.48Å; I402-Y446 HydrophobicContact CD1-CE1 4.39Å; I402-Y446 HydrophobicContact CG1-CD1 4.07Å; I402-Y446 HydrophobicContact CG1-CE1 4.01Å; I402-I459 HydrophobicContact CD1-CD1 4.11Å; I402-I459 HydrophobicContact CG1-CD1 4.04Å; I402-I459 HydrophobicContact CG2-CD1 3.82Å; I402-V484 HydrophobicContact CD1-CG2 4.27Å; I402-F490 HydrophobicContact CD1-CD2 4.45Å; I402-F490 HydrophobicContact CG2-CD2 4Å; I402-F490 HydrophobicContact CG2-CE2 4.25Å |
| 403 | S | 95.7 | Very high | 84.2 | Confident | 2 Ų | 2 | 46.8 Ų | 46.8 | 1% | 0.014 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 166.3 | 166.4 | -79 | 0 | 0 | 0 | 0 | 112.5 | C417 E418 A444 Y445 N447 | S403-C417 VanDerWaalsContact CA-O 3.25Å; S403-C417 WeakPolarHBondContact CA-O 3.41Å; S403-C417 WeakPolarHBondContact CB-O 3.47Å; S403-C417 PolarHBondContact OG-O 3.28Å; S403-E418 VanDerWaalsContact OG-CA 3.23Å; S403-E418 WeakPolarHBondContact OG-CA 3.19Å; S403-E418 PolarHBondContact OG-N 3.23Å; S403-A444 WeakPolarHBondContact O-CA 3.3Å; S403-Y445 VanDerWaalsContact CB-CZ 3.47Å; S403-Y445 WeakPolarHBondContact CB-OH 3.38Å; S403-Y445 PolarHBondContact N-O 3.21Å; S403-Y445 PolarHBondContact O-N 3.44Å; S403-Y445 VanDerWaalsContact O-N 3.15Å; S403-N447 WeakPolarHBondContact CB-OD1 3.44Å; S403-N447 PolarHBondContact N-OD1 3.38Å; S403-N447 VanDerWaalsContact N-OD1 3.16Å; S403-N447 VanDerWaalsContact OG-CG 3.29Å; S403-N447 PolarHBondContact OG-ND2 2.79Å; S403-N447 PolarHBondContact OG-OD1 3.41Å |
| 404 | L | 95.1 | Very high | 83.3 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 143.1 | 159.9 | -68.8 | 165.1 | 0 | 0 | 0 | 109.1 | W406 D416 C417 V419 L432 L442 E443 A444 V482 F490 | L404-W406 HydrophobicContact CB-CE3 4.28Å; L404-W406 HydrophobicContact CB-CZ3 4.12Å; L404-D416 CarbonylContact O-C 3.54Å; L404-D416 VanDerWaalsContact O-CA 3.25Å; L404-D416 WeakPolarHBondContact O-CA 3.38Å; L404-C417 PolarHBondContact N-O 3.18Å; L404-C417 PolarHBondContact O-N 2.77Å; L404-V419 HydrophobicContact CB-CG2 4.14Å; L404-V419 HydrophobicContact CD1-CG2 3.63Å; L404-V419 HydrophobicContact CG-CG2 3.7Å; L404-L432 HydrophobicContact CD1-CD1 3.63Å; L404-L442 HydrophobicContact CD1-CD1 4.47Å; L404-L442 HydrophobicContact CD2-CB 4.32Å; L404-E443 WeakPolarHBondContact CA-O 3.29Å; L404-A444 HydrophobicContact CD2-CB 3.68Å; L404-V482 HydrophobicContact CD1-CB 4.45Å; L404-V482 HydrophobicContact CD1-CG1 3.89Å; L404-V482 HydrophobicContact CD1-CG2 4.2Å; L404-F490 HydrophobicContact CD1-CZ 4.27Å; L404-F490 HydrophobicContact CD2-CE1 4.31Å; L404-F490 HydrophobicContact CD2-CZ 3.78Å; L404-F490 HydrophobicContact CG-CZ 4.32Å |
| 405 | K | 93.3 | Very high | 82.7 | Confident | 56 Ų | 56 | 49 Ų | 49 | 24% | 0.243 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 152 | 169.8 | 61.2 | -175.1 | 174.7 | 173.7 | 0 | 110.9 | L414 S415 D416 E443 Y445 | K405-L414 HydrophobicContact CB-CD2 4.36Å; K405-L414 HydrophobicContact CD-CD2 4.31Å; K405-L414 HydrophobicContact CG-CD2 4.32Å; K405-S415 WeakPolarHBondContact CA-O 3.45Å; K405-D416 HydrophobicContact CB-CB 3.97Å; K405-E443 WeakPolarHBondContact CE-OE1 3.3Å; K405-E443 WeakPolarHBondContact CE-OE2 3.41Å; K405-E443 HydrophobicContact CG-CB 4.06Å; K405-E443 PolarHBondContact N-O 3.46Å; K405-E443 IonicContact NZ-OE1 3.96Å; K405-E443 PolarHBondContact NZ-OE1 2.8Å; K405-E443 IonicContact NZ-OE2 3.72Å; K405-E443 PolarHBondContact NZ-OE2 2.96Å; K405-E443 PolarHBondContact O-N 2.75Å; K405-E443 VanDerWaalsContact O-N 3.08Å; K405-Y445 HydrophobicContact CB-CE1 3.73Å; K405-Y445 HydrophobicContact CD-CD1 3.96Å; K405-Y445 HydrophobicContact CD-CE1 3.72Å; K405-Y445 HydrophobicContact CG-CD1 3.97Å; K405-Y445 HydrophobicContact CG-CE1 3.61Å |
| 406 | W | 91.8 | Very high | 82.4 | Confident | 36 Ų | 36 | 51.4 Ų | 51.4 | 14% | 0.136 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 151.9 | -178.2 | 58.4 | 75.6 | 0 | 0 | 0 | 111.5 | L404 S408 L414 S415 C417 F434 L442 | L404-W406 HydrophobicContact CB-CE3 4.28Å; L404-W406 HydrophobicContact CB-CZ3 4.12Å; W406-S408 PolarHBondContact O-N 3.13Å; W406-L414 CarbonylContact O-C 3.49Å; W406-L414 VanDerWaalsContact O-CA 3.31Å; W406-L414 WeakPolarHBondContact O-CA 3.35Å; W406-S415 PolarHBondContact N-O 3.43Å; W406-S415 PolarHBondContact O-N 2.91Å; W406-C417 HydrophobicContact CH2-CB 3.62Å; W406-C417 HydrophobicContact CZ3-CB 4.02Å; W406-F434 HydrophobicContact CD2-CD1 4.4Å; W406-F434 AromaticContact CD2-CE1 3.64Å; W406-F434 HydrophobicContact CD2-CE1 3.64Å; W406-F434 HydrophobicContact CD2-CZ 4.45Å; W406-F434 AromaticContact CE2-CE1 3.73Å; W406-F434 AromaticContact CE3-CE1 3.67Å; W406-F434 HydrophobicContact CE3-CE1 3.67Å; W406-F434 HydrophobicContact CE3-CZ 4.08Å; W406-F434 HydrophobicContact CG-CE1 4.35Å; W406-F434 AromaticContact CH2-CE1 3.88Å; W406-F434 HydrophobicContact CH2-CE1 3.88Å; W406-F434 HydrophobicContact CH2-CZ 4.49Å; W406-F434 AromaticContact CZ2-CE1 3.86Å; W406-F434 HydrophobicContact CZ2-CE1 3.86Å; W406-F434 AromaticContact CZ3-CE1 3.8Å; W406-F434 HydrophobicContact CZ3-CE1 3.8Å; W406-F434 HydrophobicContact CZ3-CZ 4.11Å; W406-L442 HydrophobicContact CB-CD2 3.84Å; W406-L442 HydrophobicContact CD2-CD2 4.32Å; W406-L442 HydrophobicContact CE3-CD2 3.91Å; W406-L442 HydrophobicContact CG-CD2 4.34Å |
| 407 | N | 83.5 | Confident | 82.1 | Confident | 112 Ų | 112 | 53.3 Ų | 53.3 | 60% | 0.599 | 32% | 0.319 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 122.2 | 171.9 | -58.6 | -4.3 | 0 | 0 | 0 | 108.7 | R436 | N407-R436 PolarHBondContact O-NH1 3.2Å; N407-R436 PolarHBondContact O-NH2 2.78Å |
| 408 | S | 69.1 | Low | 82.1 | Confident | 32 Ų | 32 | 56.8 Ų | 56.8 | 22% | 0.224 | 34% | 0.335 | C | S | . | . | trans | -75.6 | 168.3 | 179.4 | -164.7 | 0 | 0 | 0 | 0 | 111.9 | W406 A410 E411 G413 S415 | W406-S408 PolarHBondContact O-N 3.13Å; S408-A410 PolarHBondContact OG-N 2.85Å; S408-E411 WeakPolarHBondContact CB-O 3.45Å; S408-E411 PolarHBondContact OG-N 3.01Å; S408-G413 PolarHBondContact N-O 3.4Å; S408-S415 WeakPolarHBondContact CB-OG 3.32Å | ||
| 409 | A | 62.1 | Low | 82.2 | Confident | 82 Ų | 82 | 56.6 Ų | 56.6 | 68% | 0.678 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -124.7 | 8.6 | 170 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 410 | A | 60.1 | Low | 82.5 | Confident | 98 Ų | 98 | 56 Ų | 56 | 81% | 0.81 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -129.5 | -5.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.6 | S408 | S408-A410 PolarHBondContact OG-N 2.85Š|
| 411 | E | 57.3 | Low | 82.5 | Confident | 122 Ų | 122 | 57.7 Ų | 57.7 | 57% | 0.57 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -136.3 | 138 | 175.2 | -61 | 172.1 | 137 | 0 | 0 | 106.6 | S408 G413 S415 | S408-E411 WeakPolarHBondContact CB-O 3.45Å; S408-E411 PolarHBondContact OG-N 3.01Å; E411-G413 PolarHBondContact O-N 3.27Å; E411-S415 PolarHBondContact OE2-OG 3.02Å |
| 412 | D | 50.8 | Low | 82.5 | Confident | 190 Ų | 190 | 59.5 Ų | 59.5 | 100% | 1.016 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -76.6 | 74.6 | 175.8 | -76.3 | -47.9 | 0 | 0 | 0 | 110.6 | ||
| 413 | G | 63.9 | Low | 82.4 | Confident | 43 Ų | 43 | 61 Ų | 61 | 44% | 0.443 | 36% | 0.356 | S | S | . | . | S | Bend | trans | 174.1 | -173.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | S408 E411 | S408-G413 PolarHBondContact N-O 3.4Å; E411-G413 PolarHBondContact O-N 3.27Å |
| 414 | L | 75.2 | Confident | 82.4 | Confident | 116 Ų | 116 | 63.1 Ų | 63.1 | 61% | 0.607 | 37% | 0.366 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 124.9 | 163.8 | -75.6 | 117.2 | 0 | 0 | 0 | 109.2 | K405 W406 | K405-L414 HydrophobicContact CB-CD2 4.36Å; K405-L414 HydrophobicContact CD-CD2 4.31Å; K405-L414 HydrophobicContact CG-CD2 4.32Å; W406-L414 CarbonylContact O-C 3.49Å; W406-L414 VanDerWaalsContact O-CA 3.31Å; W406-L414 WeakPolarHBondContact O-CA 3.35Å |
| 415 | S | 83.7 | Confident | 82.4 | Confident | 18 Ų | 18 | 64.8 Ų | 64.8 | 13% | 0.126 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 147.9 | 163 | -31.8 | 0 | 0 | 0 | 0 | 109 | K405 W406 S408 E411 | K405-S415 WeakPolarHBondContact CA-O 3.45Å; W406-S415 PolarHBondContact N-O 3.43Å; W406-S415 PolarHBondContact O-N 2.91Å; S408-S415 WeakPolarHBondContact CB-OG 3.32Å; E411-S415 PolarHBondContact OE2-OG 3.02Å |
| 416 | D | 89 | Confident | 82.5 | Confident | 100 Ų | 100 | 62.5 Ų | 62.5 | 54% | 0.535 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 167.7 | 172.1 | 76 | -39.3 | 0 | 0 | 0 | 113.1 | L404 K405 Y445 | L404-D416 CarbonylContact O-C 3.54Å; L404-D416 VanDerWaalsContact O-CA 3.25Å; L404-D416 WeakPolarHBondContact O-CA 3.38Å; K405-D416 HydrophobicContact CB-CB 3.97Å; D416-Y445 VanDerWaalsContact CB-OH 3.23Å; D416-Y445 WeakPolarHBondContact CB-OH 3.45Å; D416-Y445 PolarHBondContact OD2-OH 3.06Å |
| 417 | C | 92.3 | Very high | 82.6 | Confident | 48 Ų | 48 | 63.4 Ų | 63.4 | 32% | 0.324 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.2 | 130.3 | 176.5 | -179.1 | 0 | 0 | 0 | 0 | 111.7 | S403 L404 W406 V419 | S403-C417 VanDerWaalsContact CA-O 3.25Å; S403-C417 WeakPolarHBondContact CA-O 3.41Å; S403-C417 WeakPolarHBondContact CB-O 3.47Å; S403-C417 PolarHBondContact OG-O 3.28Å; L404-C417 PolarHBondContact N-O 3.18Å; L404-C417 PolarHBondContact O-N 2.77Å; W406-C417 HydrophobicContact CH2-CB 3.62Å; W406-C417 HydrophobicContact CZ3-CB 4.02Å; C417-V419 PolarHBondContact O-N 3.14Å |
| 418 | E | 94.6 | Very high | 83.3 | Confident | 83 Ų | 83 | 62.6 Ų | 62.6 | 39% | 0.388 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 117.2 | 171.8 | -170 | 169 | -105.8 | 0 | 0 | 110.9 | S401 S403 P421 K430 N447 | S401-E418 WeakPolarHBondContact CB-OE1 3.24Å; S403-E418 VanDerWaalsContact OG-CA 3.23Å; S403-E418 WeakPolarHBondContact OG-CA 3.19Å; S403-E418 PolarHBondContact OG-N 3.23Å; E418-P421 WeakPolarHBondContact OE2-CB 3.43Å; E418-K430 PolarHBondContact O-NZ 3.3Å; E418-N447 WeakPolarHBondContact CG-ND2 3.46Å; E418-N447 PolarHBondContact OE1-ND2 3.28Å |
| 419 | V | 95.2 | Very high | 84.6 | Confident | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.006 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | -51.7 | -177.4 | -172.6 | 0 | 0 | 0 | 0 | 109.2 | I402 L404 C417 K430 L432 V482 | I402-V419 PolarHBondContact O-N 3.11Å; L404-V419 HydrophobicContact CB-CG2 4.14Å; L404-V419 HydrophobicContact CD1-CG2 3.63Å; L404-V419 HydrophobicContact CG-CG2 3.7Å; C417-V419 PolarHBondContact O-N 3.14Å; V419-K430 HydrophobicContact CB-CD 4.44Å; V419-K430 HydrophobicContact CG1-CB 4.09Å; V419-K430 HydrophobicContact CG1-CD 3.67Å; V419-K430 WeakPolarHBondContact O-CD 3.2Å; V419-K430 PolarHBondContact O-NZ 3.06Å; V419-L432 HydrophobicContact CG2-CD1 4.3Å; V419-V482 HydrophobicContact CG1-CG2 3.47Å; V419-V482 VanDerWaalsContact CG1-CG2 3.47Å |
| 420 | F | 96.1 | Very high | 86.2 | Confident | 1 Ų | 1 | 62.5 Ų | 62.5 | 0% | 0.004 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 103.5 | -177.3 | -56.9 | -81 | 0 | 0 | 0 | 109 | S401 I402 H424 F428 V482 V484 F490 | S401-F420 CarbonylContact C-O 3.57Å; S401-F420 WeakPolarHBondContact CA-O 3.44Å; I402-F420 HydrophobicContact CB-CB 4.42Å; I402-F420 HydrophobicContact CB-CD2 4.43Å; I402-F420 PolarHBondContact N-O 3.36Å; I402-F420 PolarHBondContact O-N 3.22Å; I402-F420 VanDerWaalsContact O-N 3.12Å; F420-H424 HydrophobicContact CB-CB 4.41Å; F420-H424 AromaticContact CD1-ND1 4Å; F420-F428 HydrophobicContact CE1-CB 4.2Å; F420-F428 HydrophobicContact CE1-CD1 4.02Å; F420-V482 HydrophobicContact CE2-CG2 4.49Å; F420-V484 HydrophobicContact CD1-CG2 4.14Å; F420-V484 HydrophobicContact CD2-CG2 3.79Å; F420-V484 HydrophobicContact CE1-CG2 4.15Å; F420-V484 HydrophobicContact CE2-CG2 3.81Å; F420-V484 HydrophobicContact CG-CG2 3.96Å; F420-V484 HydrophobicContact CZ-CG2 4.01Å; F420-F490 HydrophobicContact CD2-CD2 4.32Å; F420-F490 HydrophobicContact CD2-CE2 4.34Å; F420-F490 AromaticContact CE2-CD2 3.98Å; F420-F490 HydrophobicContact CE2-CD2 3.98Å; F420-F490 AromaticContact CE2-CE2 3.84Å; F420-F490 HydrophobicContact CE2-CE2 3.84Å |
| 421 | P | 94.9 | Very high | 87.9 | Confident | 49 Ų | 49 | 61.9 Ų | 61.9 | 32% | 0.318 | 34% | 0.344 | S | S | . | . | trans | -63.2 | 165.9 | 172.8 | 22.5 | -32.7 | 0 | 0 | 0 | 112.4 | E418 H424 | E418-P421 WeakPolarHBondContact OE2-CB 3.43Å; P421-H424 HydrophobicContact CG-CB 4.11Å; P421-H424 WeakPolarHBondContact O-CB 3.2Å; P421-H424 PolarHBondContact O-N 3.4Å | ||
| 422 | K | 92.8 | Very high | 89.6 | Confident | 56 Ų | 56 | 57.2 Ų | 57.2 | 24% | 0.243 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | 140.5 | 169.5 | -174.6 | 171.8 | -174 | 179.2 | 0 | 110.5 | P399 H424 E451 | P399-K422 WeakPolarHBondContact O-CE 3.22Å; K422-H424 PolarHBondContact O-N 3.03Å; K422-E451 WeakPolarHBondContact CD-OE2 3.32Å; K422-E451 IonicContact NZ-OE2 2.67Å; K422-E451 PolarHBondContact NZ-OE2 3.21Å |
| 423 | N | 94 | Very high | 91.6 | Very high | 35 Ų | 35 | 51.2 Ų | 51.2 | 19% | 0.187 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 60.2 | 15.8 | -171.6 | -56.6 | -42.9 | 0 | 0 | 0 | 115.6 | A224 A225 Q327 V397 V398 A425 | A224-N423 WeakPolarHBondContact CA-OD1 3.31Å; A225-N423 PolarHBondContact N-OD1 2.81Å; Q327-N423 PolarHBondContact OE1-ND2 2.78Å; V397-N423 HydrophobicContact CG1-CB 4.48Å; V398-N423 PolarHBondContact O-N 3.08Å; N423-A425 PolarHBondContact O-N 3.43Å |
| 424 | H | 95.6 | Very high | 92.9 | Very high | 47 Ų | 47 | 49.8 Ų | 49.8 | 22% | 0.218 | 28% | 0.275 | C | S | . | . | trans | -59.8 | 140.9 | 170.2 | -168.1 | -76.5 | 0 | 0 | 0 | 110.1 | V397 V398 F420 P421 K422 F428 | V397-H424 CarbonylContact C-O 3.52Å; V397-H424 WeakPolarHBondContact CA-O 3.41Å; V398-H424 HydrophobicContact CG2-CB 4.34Å; V398-H424 PolarHBondContact N-O 3.13Å; F420-H424 HydrophobicContact CB-CB 4.41Å; F420-H424 AromaticContact CD1-ND1 4Å; P421-H424 HydrophobicContact CG-CB 4.11Å; P421-H424 WeakPolarHBondContact O-CB 3.2Å; P421-H424 PolarHBondContact O-N 3.4Å; K422-H424 PolarHBondContact O-N 3.03Å; H424-F428 AromaticContact CE1-CD1 3.46Å; H424-F428 VanDerWaalsContact CE1-CD1 3.46Å; H424-F428 WeakPolarHBondContact CE1-CD1 3.44Å; H424-F428 AromaticContact CE1-CD2 3.93Å; H424-F428 AromaticContact CE1-CE1 3.92Å; H424-F428 AromaticContact CE1-CG 3.46Å; H424-F428 VanDerWaalsContact CE1-CG 3.46Å; H424-F428 WeakPolarHBondContact CE1-CG 3.4Å | ||
| 425 | A | 95.9 | Very high | 93.6 | Very high | 35 Ų | 35 | 50.2 Ų | 50.2 | 29% | 0.289 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.9 | 139.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | T395 D396 N423 F428 | T395-A425 HydrophobicContact CG2-CB 3.73Å; D396-A425 CarbonylContact O-C 3.57Å; D396-A425 WeakPolarHBondContact O-CA 3.15Å; N423-A425 PolarHBondContact O-N 3.43Å; A425-F428 WeakPolarHBondContact O-CB 3.48Å |
| 426 | A | 94.4 | Very high | 93.9 | Very high | 8 Ų | 8 | 50.5 Ų | 50.5 | 7% | 0.066 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 143.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111 | D396 V398 V484 | D396-A426 PolarHBondContact N-O 3.29Å; D396-A426 VanDerWaalsContact N-O 3.12Å; D396-A426 PolarHBondContact O-N 2.82Å; V398-A426 HydrophobicContact CG2-CB 4.08Å; A426-V484 HydrophobicContact CB-CG1 4.28Å |
| 427 | P | 95.4 | Very high | 93.8 | Very high | 55 Ų | 55 | 51.1 Ų | 51.1 | 36% | 0.357 | 27% | 0.265 | S | S | . | . | S | Bend | cis | -73.8 | 149.4 | -3.4 | 33 | -38.2 | 0 | 0 | 0 | 112.9 | V484 V486 | P427-V484 WeakPolarHBondContact CA-O 3.48Å; P427-V484 WeakPolarHBondContact CB-O 3.46Å; P427-V486 HydrophobicContact CB-CG1 4.36Å; P427-V486 HydrophobicContact CG-CG1 4.11Å |
| 428 | F | 96.6 | Very high | 93.7 | Very high | 96 Ų | 96 | 55.2 Ų | 55.2 | 42% | 0.421 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 154.4 | 177.7 | -165.4 | -95.5 | 0 | 0 | 0 | 112.4 | F420 H424 A425 R483 V484 | F420-F428 HydrophobicContact CE1-CB 4.2Å; F420-F428 HydrophobicContact CE1-CD1 4.02Å; H424-F428 AromaticContact CE1-CD1 3.46Å; H424-F428 VanDerWaalsContact CE1-CD1 3.46Å; H424-F428 WeakPolarHBondContact CE1-CD1 3.44Å; H424-F428 AromaticContact CE1-CD2 3.93Å; H424-F428 AromaticContact CE1-CE1 3.92Å; H424-F428 AromaticContact CE1-CG 3.46Å; H424-F428 VanDerWaalsContact CE1-CG 3.46Å; H424-F428 WeakPolarHBondContact CE1-CG 3.4Å; A425-F428 WeakPolarHBondContact O-CB 3.48Å; F428-R483 WeakPolarHBondContact O-CA 3.31Å; F428-R483 WeakPolarHBondContact O-CG 3.46Å; F428-V484 PolarHBondContact N-O 3.13Å; F428-V484 VanDerWaalsContact N-O 3.07Å; F428-V484 PolarHBondContact O-N 3.48Å |
| 429 | S | 96.8 | Very high | 93.6 | Very high | 41 Ų | 41 | 54.5 Ų | 54.5 | 29% | 0.287 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 131.1 | 177.2 | -58.5 | 0 | 0 | 0 | 0 | 111.6 | V482 R483 | S429-V482 CarbonylContact C-O 3.15Å; S429-V482 VanDerWaalsContact CA-O 3.3Å; S429-V482 WeakPolarHBondContact CA-O 3.46Å; S429-R483 WeakPolarHBondContact OG-CD 3.45Å; S429-R483 WeakPolarHBondContact OG-CG 3.48Å |
| 430 | K | 95.4 | Very high | 93.5 | Very high | 71 Ų | 71 | 55.1 Ų | 55.1 | 31% | 0.309 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 136.5 | 176.5 | -158.1 | 178.5 | -166.1 | 172.4 | 0 | 108.4 | E418 V419 L432 V482 | E418-K430 PolarHBondContact O-NZ 3.3Å; V419-K430 HydrophobicContact CB-CD 4.44Å; V419-K430 HydrophobicContact CG1-CB 4.09Å; V419-K430 HydrophobicContact CG1-CD 3.67Å; V419-K430 WeakPolarHBondContact O-CD 3.2Å; V419-K430 PolarHBondContact O-NZ 3.06Å; K430-L432 HydrophobicContact CD-CD2 4.33Å; K430-L432 HydrophobicContact CG-CD2 4.42Å; K430-V482 HydrophobicContact CB-CG2 4.26Å; K430-V482 PolarHBondContact N-O 3.42Å; K430-V482 WeakPolarHBondContact O-CG2 3.47Å; K430-V482 PolarHBondContact O-N 3.09Å |
| 431 | V | 95.6 | Very high | 93.3 | Very high | 85 Ų | 85 | 59.7 Ų | 59.7 | 52% | 0.515 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 118.7 | 173.9 | -179.5 | 0 | 0 | 0 | 0 | 108.7 | K479 V480 K481 | V431-K479 HydrophobicContact CG1-CB 4.19Å; V431-K479 HydrophobicContact CG1-CG 4.48Å; V431-V480 WeakPolarHBondContact CA-O 3.3Å; V431-K481 HydrophobicContact CG2-CB 4.19Å; V431-K481 HydrophobicContact CG2-CG 4.05Å |
| 432 | L | 93.9 | Very high | 93.3 | Very high | 23 Ų | 23 | 57.3 Ų | 57.3 | 12% | 0.12 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 152.8 | 173.5 | -58 | 179.7 | 0 | 0 | 0 | 109.6 | L404 V419 K430 F434 K479 V480 V482 | L404-L432 HydrophobicContact CD1-CD1 3.63Å; V419-L432 HydrophobicContact CG2-CD1 4.3Å; K430-L432 HydrophobicContact CD-CD2 4.33Å; K430-L432 HydrophobicContact CG-CD2 4.42Å; L432-F434 HydrophobicContact CB-CE2 3.74Å; L432-F434 HydrophobicContact CB-CZ 3.87Å; L432-F434 HydrophobicContact CD1-CE2 4.48Å; L432-F434 HydrophobicContact CD1-CZ 4.01Å; L432-K479 WeakPolarHBondContact O-CA 3.37Å; L432-V480 PolarHBondContact N-O 2.86Å; L432-V480 PolarHBondContact O-N 3.15Å; L432-V482 HydrophobicContact CD1-CG2 4.29Å; L432-V482 HydrophobicContact CG-CG2 4.45Å |
| 433 | T | 93.3 | Very high | 93.4 | Very high | 64 Ų | 64 | 56.3 Ų | 56.3 | 39% | 0.393 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 120.5 | 179.7 | -66.8 | 0 | 0 | 0 | 0 | 109 | Y435 K477 V478 | T433-Y435 HydrophobicContact CG2-CE2 3.94Å; T433-K477 HydrophobicContact CG2-CD 4.34Å; T433-K477 VanDerWaalsContact CG2-CE 3.46Å; T433-K477 HydrophobicContact CG2-CG 3.93Å; T433-V478 WeakPolarHBondContact CA-O 3.44Å |
| 434 | F | 91 | Very high | 93.5 | Very high | 13 Ų | 13 | 54.7 Ų | 54.7 | 6% | 0.057 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 154.5 | 176.3 | -56.1 | -78.4 | 0 | 0 | 0 | 110.1 | W406 L432 R436 F440 L442 V478 V480 | W406-F434 HydrophobicContact CD2-CD1 4.4Å; W406-F434 AromaticContact CD2-CE1 3.64Å; W406-F434 HydrophobicContact CD2-CE1 3.64Å; W406-F434 HydrophobicContact CD2-CZ 4.45Å; W406-F434 AromaticContact CE2-CE1 3.73Å; W406-F434 AromaticContact CE3-CE1 3.67Å; W406-F434 HydrophobicContact CE3-CE1 3.67Å; W406-F434 HydrophobicContact CE3-CZ 4.08Å; W406-F434 HydrophobicContact CG-CE1 4.35Å; W406-F434 AromaticContact CH2-CE1 3.88Å; W406-F434 HydrophobicContact CH2-CE1 3.88Å; W406-F434 HydrophobicContact CH2-CZ 4.49Å; W406-F434 AromaticContact CZ2-CE1 3.86Å; W406-F434 HydrophobicContact CZ2-CE1 3.86Å; W406-F434 AromaticContact CZ3-CE1 3.8Å; W406-F434 HydrophobicContact CZ3-CE1 3.8Å; W406-F434 HydrophobicContact CZ3-CZ 4.11Å; L432-F434 HydrophobicContact CB-CE2 3.74Å; L432-F434 HydrophobicContact CB-CZ 3.87Å; L432-F434 HydrophobicContact CD1-CE2 4.48Å; L432-F434 HydrophobicContact CD1-CZ 4.01Å; F434-R436 HydrophobicContact CB-CG 4.15Å; F434-F440 HydrophobicContact CB-CE2 4.34Å; F434-F440 HydrophobicContact CB-CZ 4.03Å; F434-F440 HydrophobicContact CD1-CE2 4.31Å; F434-F440 AromaticContact CD2-CE2 3.94Å; F434-F440 HydrophobicContact CD2-CE2 3.94Å; F434-F440 AromaticContact CD2-CZ 3.73Å; F434-F440 HydrophobicContact CD2-CZ 3.73Å; F434-F440 HydrophobicContact CE2-CE2 4.31Å; F434-F440 HydrophobicContact CE2-CZ 4.4Å; F434-F440 AromaticContact CG-CE2 3.93Å; F434-F440 HydrophobicContact CG-CE2 3.93Å; F434-F440 AromaticContact CG-CZ 3.92Å; F434-F440 HydrophobicContact CG-CZ 3.92Å; F434-L442 HydrophobicContact CE1-CD2 4.21Å; F434-L442 HydrophobicContact CE2-CD1 4.07Å; F434-L442 HydrophobicContact CE2-CD2 4.25Å; F434-L442 HydrophobicContact CZ-CD1 4.25Å; F434-L442 HydrophobicContact CZ-CD2 3.79Å; F434-V478 PolarHBondContact N-O 3.07Å; F434-V478 PolarHBondContact O-N 3.48Å; F434-V480 HydrophobicContact CD2-CB 4.29Å; F434-V480 HydrophobicContact CD2-CG2 3.74Å; F434-V480 HydrophobicContact CE2-CB 3.96Å; F434-V480 HydrophobicContact CE2-CG2 3.83Å |
| 435 | Y | 90.1 | Very high | 93.5 | Very high | 126 Ų | 126 | 54 Ų | 54 | 49% | 0.494 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 112.9 | 172.7 | -65.1 | -83.5 | 0 | 0 | 0 | 108.1 | T433 S476 K477 | T433-Y435 HydrophobicContact CG2-CE2 3.94Å; Y435-S476 CarbonylContact C-O 3.58Å; Y435-S476 WeakPolarHBondContact CA-O 3.35Å; Y435-K477 HydrophobicContact CD1-CB 4.04Å; Y435-K477 HydrophobicContact CD1-CG 4.27Å; Y435-K477 HydrophobicContact CE1-CB 3.74Å; Y435-K477 HydrophobicContact CE1-CD 3.86Å; Y435-K477 HydrophobicContact CE1-CG 3.64Å; Y435-K477 WeakPolarHBondContact OH-CE 3.49Å; Y435-K477 PolarHBondContact OH-NZ 2.71Å |
| 436 | R | 88.4 | Confident | 93.5 | Very high | 24 Ų | 24 | 53.3 Ų | 53.3 | 9% | 0.091 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 149.3 | -166.8 | -67 | -66.9 | -177.6 | -173.1 | 0.4 | 112.6 | N407 F434 F440 V467 S475 S476 V478 | N407-R436 PolarHBondContact O-NH1 3.2Å; N407-R436 PolarHBondContact O-NH2 2.78Å; F434-R436 HydrophobicContact CB-CG 4.15Å; R436-F440 HydrophobicContact CB-CD1 4.34Å; R436-F440 HydrophobicContact CG-CD1 3.68Å; R436-F440 HydrophobicContact CG-CE1 3.8Å; R436-F440 HydrophobicContact CG-CG 4.08Å; R436-F440 HydrophobicContact CG-CZ 4.26Å; R436-V467 HydrophobicContact CB-CG1 3.66Å; R436-S475 CarbonylContact O-C 3.56Å; R436-S475 WeakPolarHBondContact O-CA 3.5Å; R436-S476 PolarHBondContact N-O 3.29Å; R436-S476 PolarHBondContact O-N 3.41Å; R436-V478 HydrophobicContact CB-CG2 4.5Å |
| 437 | K | 88.1 | Confident | 93.2 | Very high | 112 Ų | 112 | 55.5 Ų | 55.5 | 49% | 0.487 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -102.4 | -21.1 | 173.4 | -62.4 | -169.9 | -178.2 | -159.7 | 0 | 113.2 | V468 P469 G473 | K437-V468 CarbonylContact O-C 3.54Å; K437-P469 HydrophobicContact CB-CB 4.28Å; K437-P469 HydrophobicContact CG-CB 4.4Å; K437-P469 VanDerWaalsContact O-CD 3.22Å; K437-P469 WeakPolarHBondContact O-CD 3Å; K437-G473 WeakPolarHBondContact CE-O 3.28Å; K437-G473 PolarHBondContact NZ-O 2.92Å |
| 438 | E | 90.5 | Very high | 92.7 | Very high | 135 Ų | 135 | 55.5 Ų | 55.5 | 63% | 0.631 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -144.6 | 165.4 | -169.5 | 69.2 | -162 | 144.8 | 0 | 0 | 110.5 | V467 | E438-V467 CarbonylContact C-O 3.52Å; E438-V467 WeakPolarHBondContact CA-O 3.26Å; E438-V467 WeakPolarHBondContact O-CB 3.3Å; E438-V467 WeakPolarHBondContact O-CG1 3.42Å |
| 439 | P | 91.5 | Very high | 92.1 | Very high | 67 Ų | 67 | 55.7 Ų | 55.7 | 44% | 0.435 | 28% | 0.276 | S | S | . | . | trans | -53.8 | 143.5 | 174.3 | -28.3 | 37.9 | 0 | 0 | 0 | 112.5 | L463 I464 V467 | P439-L463 HydrophobicContact CB-CD1 4.25Å; P439-I464 VanDerWaalsContact CA-O 3.31Å; P439-I464 WeakPolarHBondContact CA-O 3.45Å; P439-I464 WeakPolarHBondContact CB-O 3.28Å; P439-V467 WeakPolarHBondContact CD-O 3.24Å | ||
| 440 | F | 92.5 | Very high | 91.4 | Very high | 15 Ų | 15 | 63.1 Ų | 63.1 | 7% | 0.066 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 151.7 | -175.2 | 71.8 | -72 | 0 | 0 | 0 | 112.2 | F434 R436 L442 I464 V467 V478 V480 | F434-F440 HydrophobicContact CB-CE2 4.34Å; F434-F440 HydrophobicContact CB-CZ 4.03Å; F434-F440 HydrophobicContact CD1-CE2 4.31Å; F434-F440 AromaticContact CD2-CE2 3.94Å; F434-F440 HydrophobicContact CD2-CE2 3.94Å; F434-F440 AromaticContact CD2-CZ 3.73Å; F434-F440 HydrophobicContact CD2-CZ 3.73Å; F434-F440 HydrophobicContact CE2-CE2 4.31Å; F434-F440 HydrophobicContact CE2-CZ 4.4Å; F434-F440 AromaticContact CG-CE2 3.93Å; F434-F440 HydrophobicContact CG-CE2 3.93Å; F434-F440 AromaticContact CG-CZ 3.92Å; F434-F440 HydrophobicContact CG-CZ 3.92Å; R436-F440 HydrophobicContact CB-CD1 4.34Å; R436-F440 HydrophobicContact CG-CD1 3.68Å; R436-F440 HydrophobicContact CG-CE1 3.8Å; R436-F440 HydrophobicContact CG-CG 4.08Å; R436-F440 HydrophobicContact CG-CZ 4.26Å; F440-L442 HydrophobicContact CD2-CD2 4.17Å; F440-L442 HydrophobicContact CD2-CG 4.43Å; F440-L442 HydrophobicContact CE2-CD1 4.47Å; F440-L442 HydrophobicContact CE2-CD2 3.72Å; F440-L442 HydrophobicContact CE2-CG 3.95Å; F440-I464 HydrophobicContact CD1-CB 4.18Å; F440-I464 HydrophobicContact CE1-CB 3.85Å; F440-I464 HydrophobicContact CE1-CD1 4.41Å; F440-I464 HydrophobicContact CE1-CG1 4.24Å; F440-I464 HydrophobicContact CE1-CG2 4.1Å; F440-I464 HydrophobicContact CE2-CD1 4.23Å; F440-I464 HydrophobicContact CZ-CB 4.36Å; F440-I464 HydrophobicContact CZ-CD1 4.12Å; F440-I464 HydrophobicContact CZ-CG1 4.24Å; F440-I464 PolarHBondContact N-O 3.33Å; F440-I464 PolarHBondContact O-N 3.19Å; F440-V467 HydrophobicContact CD1-CG2 4.16Å; F440-V467 HydrophobicContact CE1-CG2 4.13Å; F440-V478 HydrophobicContact CE1-CG1 4.35Å; F440-V480 HydrophobicContact CZ-CG2 4.29Å |
| 441 | M | 93.1 | Very high | 90.7 | Very high | 96 Ų | 96 | 63.6 Ų | 63.6 | 47% | 0.473 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 138.9 | 177.7 | -168.6 | -179.8 | -72.1 | 0 | 0 | 110.9 | E461 F462 | M441-E461 HydrophobicContact CG-CB 4.46Å; M441-E461 HydrophobicContact SD-CB 4.07Å; M441-E461 HydrophobicContact SD-CG 4.06Å; M441-F462 CarbonylContact C-O 3.52Å; M441-F462 WeakPolarHBondContact CA-O 3.39Å |
| 442 | L | 94.5 | Very high | 90.2 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 125.7 | 162.4 | -65.4 | -178.5 | 0 | 0 | 0 | 108.2 | L404 W406 F434 F440 F462 I464 V480 | L404-L442 HydrophobicContact CD1-CD1 4.47Å; L404-L442 HydrophobicContact CD2-CB 4.32Å; W406-L442 HydrophobicContact CB-CD2 3.84Å; W406-L442 HydrophobicContact CD2-CD2 4.32Å; W406-L442 HydrophobicContact CE3-CD2 3.91Å; W406-L442 HydrophobicContact CG-CD2 4.34Å; F434-L442 HydrophobicContact CE1-CD2 4.21Å; F434-L442 HydrophobicContact CE2-CD1 4.07Å; F434-L442 HydrophobicContact CE2-CD2 4.25Å; F434-L442 HydrophobicContact CZ-CD1 4.25Å; F434-L442 HydrophobicContact CZ-CD2 3.79Å; F440-L442 HydrophobicContact CD2-CD2 4.17Å; F440-L442 HydrophobicContact CD2-CG 4.43Å; F440-L442 HydrophobicContact CE2-CD1 4.47Å; F440-L442 HydrophobicContact CE2-CD2 3.72Å; F440-L442 HydrophobicContact CE2-CG 3.95Å; L442-F462 PolarHBondContact N-O 2.97Å; L442-F462 PolarHBondContact O-N 2.73Å; L442-I464 HydrophobicContact CB-CD1 4.37Å; L442-I464 HydrophobicContact CD1-CD1 3.83Å; L442-I464 HydrophobicContact CG-CD1 3.74Å; L442-V480 HydrophobicContact CD1-CG1 4.03Å |
| 443 | E | 95.4 | Very high | 89.7 | Confident | 35 Ų | 35 | 61.7 Ų | 61.7 | 16% | 0.164 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 126.8 | 168.8 | -167.6 | -165.7 | 130.7 | 0 | 0 | 109.6 | L404 K405 T458 G460 E461 | L404-E443 WeakPolarHBondContact CA-O 3.29Å; K405-E443 WeakPolarHBondContact CE-OE1 3.3Å; K405-E443 WeakPolarHBondContact CE-OE2 3.41Å; K405-E443 HydrophobicContact CG-CB 4.06Å; K405-E443 PolarHBondContact N-O 3.46Å; K405-E443 IonicContact NZ-OE1 3.96Å; K405-E443 PolarHBondContact NZ-OE1 2.8Å; K405-E443 IonicContact NZ-OE2 3.72Å; K405-E443 PolarHBondContact NZ-OE2 2.96Å; K405-E443 PolarHBondContact O-N 2.75Å; K405-E443 VanDerWaalsContact O-N 3.08Å; E443-T458 HydrophobicContact CG-CG2 3.74Å; E443-T458 WeakPolarHBondContact OE1-CB 3.48Å; E443-T458 WeakPolarHBondContact OE1-CG2 3.47Å; E443-T458 PolarHBondContact OE1-OG1 3.31Å; E443-G460 WeakPolarHBondContact CA-O 3.39Å; E443-E461 HydrophobicContact CG-CG 4.18Å |
| 444 | A | 96.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 135.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | S403 L404 I459 G460 F462 F490 | S403-A444 WeakPolarHBondContact O-CA 3.3Å; L404-A444 HydrophobicContact CD2-CB 3.68Å; A444-I459 HydrophobicContact CB-CB 4.13Å; A444-I459 HydrophobicContact CB-CD1 4.45Å; A444-I459 PolarHBondContact O-N 3.39Å; A444-G460 PolarHBondContact N-O 3.33Å; A444-G460 PolarHBondContact O-N 2.66Å; A444-F462 HydrophobicContact CB-CE2 4.04Å; A444-F490 HydrophobicContact CB-CD1 3.88Å; A444-F490 HydrophobicContact CB-CE1 3.69Å; A444-F490 HydrophobicContact CB-CG 4.46Å; A444-F490 HydrophobicContact CB-CZ 4.09Å |
| 445 | Y | 95.4 | Very high | 89.1 | Confident | 33 Ų | 33 | 61.4 Ų | 61.4 | 13% | 0.129 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 161.8 | -178.1 | 66.4 | -78.3 | 0 | 0 | 0 | 112.8 | I402 S403 K405 D416 A457 | I402-Y445 WeakPolarHBondContact CA-O 3.48Å; S403-Y445 VanDerWaalsContact CB-CZ 3.47Å; S403-Y445 WeakPolarHBondContact CB-OH 3.38Å; S403-Y445 PolarHBondContact N-O 3.21Å; S403-Y445 PolarHBondContact O-N 3.44Å; S403-Y445 VanDerWaalsContact O-N 3.15Å; K405-Y445 HydrophobicContact CB-CE1 3.73Å; K405-Y445 HydrophobicContact CD-CD1 3.96Å; K405-Y445 HydrophobicContact CD-CE1 3.72Å; K405-Y445 HydrophobicContact CG-CD1 3.97Å; K405-Y445 HydrophobicContact CG-CE1 3.61Å; D416-Y445 VanDerWaalsContact CB-OH 3.23Å; D416-Y445 WeakPolarHBondContact CB-OH 3.45Å; D416-Y445 PolarHBondContact OD2-OH 3.06Å; Y445-A457 CarbonylContact C-O 3.52Å; Y445-A457 WeakPolarHBondContact CA-O 3.34Å; Y445-A457 WeakPolarHBondContact CB-O 3.47Å |
| 446 | Y | 95.1 | Very high | 88.9 | Confident | 20 Ų | 20 | 59.4 Ų | 59.4 | 8% | 0.078 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 132.9 | 174.4 | -62.7 | -61 | 0 | 0 | 0 | 112.4 | T149 D150 Y400 S401 I402 L452 A457 I459 | T149-Y446 HydrophobicContact CG2-CE2 4.28Å; D150-Y446 WeakPolarHBondContact CB-OH 3.38Å; D150-Y446 PolarHBondContact N-OH 3.34Å; Y400-Y446 VanDerWaalsContact CB-CD1 3.5Å; Y400-Y446 HydrophobicContact CD2-CE1 4.1Å; Y400-Y446 HydrophobicContact CG-CD1 4.25Å; Y400-Y446 HydrophobicContact CG-CE1 4.22Å; S401-Y446 WeakPolarHBondContact O-CA 3.26Å; I402-Y446 HydrophobicContact CD1-CE1 4.39Å; I402-Y446 HydrophobicContact CG1-CD1 4.07Å; I402-Y446 HydrophobicContact CG1-CE1 4.01Å; Y446-L452 HydrophobicContact CD2-CD1 3.65Å; Y446-L452 HydrophobicContact CD2-CD2 3.68Å; Y446-L452 HydrophobicContact CD2-CG 4.33Å; Y446-L452 HydrophobicContact CE2-CD1 3.94Å; Y446-L452 HydrophobicContact CG-CD1 4.1Å; Y446-L452 HydrophobicContact CG-CD2 4.23Å; Y446-A457 WeakPolarHBondContact CD2-O 3.37Å; Y446-A457 PolarHBondContact N-O 2.64Å; Y446-I459 HydrophobicContact CD1-CD1 4.08Å; Y446-I459 HydrophobicContact CD2-CG1 4.13Å; Y446-I459 HydrophobicContact CE1-CD1 3.75Å; Y446-I459 HydrophobicContact CE1-CG1 4.19Å; Y446-I459 HydrophobicContact CE2-CD1 4.22Å; Y446-I459 HydrophobicContact CE2-CG1 3.73Å; Y446-I459 HydrophobicContact CG-CD1 4.45Å |
| 447 | N | 87.9 | Confident | 89 | Confident | 55 Ų | 55 | 59.4 Ų | 59.4 | 29% | 0.294 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -77.2 | -29.6 | -170.4 | -65.8 | -7.9 | 0 | 0 | 0 | 114 | S401 S403 E418 | S401-N447 PolarHBondContact O-N 3.37Å; S403-N447 WeakPolarHBondContact CB-OD1 3.44Å; S403-N447 PolarHBondContact N-OD1 3.38Å; S403-N447 VanDerWaalsContact N-OD1 3.16Å; S403-N447 VanDerWaalsContact OG-CG 3.29Å; S403-N447 PolarHBondContact OG-ND2 2.79Å; S403-N447 PolarHBondContact OG-OD1 3.41Å; E418-N447 WeakPolarHBondContact CG-ND2 3.46Å; E418-N447 PolarHBondContact OE1-ND2 3.28Å |
| 448 | N | 85.7 | Confident | 89.3 | Confident | 55 Ų | 55 | 55.6 Ų | 55.6 | 29% | 0.294 | 28% | 0.278 | S | S | . | . | trans | -119.6 | 91.5 | -176 | -167.3 | -1.5 | 0 | 0 | 0 | 112.8 | K450 E451 L452 | N448-K450 PolarHBondContact O-N 3.41Å; N448-K450 VanDerWaalsContact O-N 3.08Å; N448-K450 WeakPolarHBondContact OD1-CB 3.09Å; N448-K450 PolarHBondContact OD1-N 3.07Å; N448-E451 HydrophobicContact CB-CB 4.48Å; N448-E451 WeakPolarHBondContact ND2-CG 3.43Å; N448-E451 PolarHBondContact ND2-OE1 2.85Å; N448-E451 PolarHBondContact O-N 2.67Å; N448-E451 VanDerWaalsContact O-N 3.14Å; N448-L452 PolarHBondContact O-N 2.86Å | ||
| 449 | M | 83.3 | Confident | 89.5 | Confident | 99 Ų | 99 | 49.4 Ų | 49.4 | 49% | 0.488 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -15 | 173 | -77.3 | -71.4 | -72.5 | 0 | 0 | 114.5 | L452 A457 | M449-L452 HydrophobicContact SD-CD2 3.88Å; M449-A457 HydrophobicContact CG-CB 4.17Å; M449-A457 HydrophobicContact SD-CB 3.64Å; M449-A457 PolarHBondContact SD-N 3.02Å |
| 450 | K | 82.7 | Confident | 89.7 | Confident | 197 Ų | 197 | 46.2 Ų | 46.2 | 86% | 0.857 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -22.1 | 176.9 | -61 | -178.7 | 178.5 | 178.5 | 0 | 113.6 | N448 | N448-K450 PolarHBondContact O-N 3.41Å; N448-K450 VanDerWaalsContact O-N 3.08Å; N448-K450 WeakPolarHBondContact OD1-CB 3.09Å; N448-K450 PolarHBondContact OD1-N 3.07Å |
| 451 | E | 80.7 | Confident | 89.8 | Confident | 81 Ų | 81 | 47.6 Ų | 47.6 | 38% | 0.379 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | -12.4 | 175.8 | -72.4 | 177.4 | -128.2 | 0 | 0 | 112.3 | Y400 K422 N448 | Y400-E451 WeakPolarHBondContact CE1-O 3.41Å; K422-E451 WeakPolarHBondContact CD-OE2 3.32Å; K422-E451 IonicContact NZ-OE2 2.67Å; K422-E451 PolarHBondContact NZ-OE2 3.21Å; N448-E451 HydrophobicContact CB-CB 4.48Å; N448-E451 WeakPolarHBondContact ND2-CG 3.43Å; N448-E451 PolarHBondContact ND2-OE1 2.85Å; N448-E451 PolarHBondContact O-N 2.67Å; N448-E451 VanDerWaalsContact O-N 3.14Å |
| 452 | L | 85.3 | Confident | 89.9 | Confident | 11 Ų | 11 | 43.5 Ų | 43.5 | 6% | 0.058 | 22% | 0.215 | C | C | . | . | trans | -92 | 108.3 | -177 | -177 | 72.2 | 0 | 0 | 0 | 110.5 | T149 Y400 Y446 N448 M449 Y454 K456 | T149-L452 HydrophobicContact CG2-CD1 3.7Å; Y400-L452 HydrophobicContact CD1-CD1 4.4Å; Y400-L452 HydrophobicContact CD2-CD1 4.36Å; Y400-L452 HydrophobicContact CE1-CD1 4.29Å; Y400-L452 HydrophobicContact CE2-CD1 4.25Å; Y400-L452 HydrophobicContact CG-CD1 4.44Å; Y446-L452 HydrophobicContact CD2-CD1 3.65Å; Y446-L452 HydrophobicContact CD2-CD2 3.68Å; Y446-L452 HydrophobicContact CD2-CG 4.33Å; Y446-L452 HydrophobicContact CE2-CD1 3.94Å; Y446-L452 HydrophobicContact CG-CD1 4.1Å; Y446-L452 HydrophobicContact CG-CD2 4.23Å; N448-L452 PolarHBondContact O-N 2.86Å; M449-L452 HydrophobicContact SD-CD2 3.88Å; L452-Y454 PolarHBondContact O-N 3.1Å; L452-K456 WeakPolarHBondContact CD2-O 3.34Å | ||
| 453 | N | 83.6 | Confident | 90 | Very high | 57 Ų | 57 | 46.1 Ų | 46.1 | 31% | 0.305 | 23% | 0.229 | S | C | . | . | trans | -81.3 | 50 | 175.6 | -161.3 | 19.5 | 0 | 0 | 0 | 112.5 | R73 I79 S229 D230 | R73-N453 PolarHBondContact NH1-O 2.78Å; R73-N453 VanDerWaalsContact NH1-O 3.1Å; R73-N453 PolarHBondContact NH2-O 2.93Å; I79-N453 WeakPolarHBondContact CD1-OD1 3.23Å; S229-N453 PolarHBondContact OG-ND2 3.47Å; D230-N453 PolarHBondContact OD2-ND2 2.94Å | ||
| 454 | Y | 86 | Confident | 89.9 | Confident | 13 Ų | 13 | 44.5 Ų | 44.5 | 5% | 0.051 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -151 | 135.3 | -172.9 | -169.9 | -85.2 | 0 | 0 | 0 | 110.1 | G72 R73 T149 L452 K456 W586 | G72-Y454 WeakPolarHBondContact O-CE2 3.34Å; G72-Y454 PolarHBondContact O-OH 2.8Å; R73-Y454 HydrophobicContact CG-CD2 4.2Å; R73-Y454 HydrophobicContact CG-CE2 3.67Å; T149-Y454 HydrophobicContact CG2-CD2 4.3Å; T149-Y454 HydrophobicContact CG2-CG 4.17Å; L452-Y454 PolarHBondContact O-N 3.1Å; Y454-K456 VanDerWaalsContact C-N 3.28Å; Y454-K456 WeakPolarHBondContact CD1-O 3.5Å; Y454-K456 HydrophobicContact CE1-CB 4.25Å; Y454-K456 PolarHBondContact O-N 3.05Å; Y454-K456 VanDerWaalsContact O-N 3.1Å; Y454-W586 PolarHBondContact OH-NE1 2.85Å |
| 455 | P | 84.7 | Confident | 89.8 | Confident | 59 Ų | 59 | 47.3 Ų | 47.3 | 38% | 0.383 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -73.4 | -4.8 | -163 | 27.7 | -37.3 | 0 | 0 | 0 | 116.6 | D77 | D77-P455 HydrophobicContact CB-CG 4.23Å; D77-P455 VanDerWaalsContact OD2-CD 3.31Å; D77-P455 WeakPolarHBondContact OD2-CD 3.26Å |
| 456 | K | 86.3 | Confident | 89.6 | Confident | 84 Ų | 84 | 50.7 Ų | 50.7 | 37% | 0.365 | 25% | 0.254 | S | S | . | . | trans | -133.7 | 134.9 | 178.9 | -68.6 | 179.1 | 173.7 | 177.3 | 0 | 111.2 | L452 Y454 | L452-K456 WeakPolarHBondContact CD2-O 3.34Å; Y454-K456 VanDerWaalsContact C-N 3.28Å; Y454-K456 WeakPolarHBondContact CD1-O 3.5Å; Y454-K456 HydrophobicContact CE1-CB 4.25Å; Y454-K456 PolarHBondContact O-N 3.05Å; Y454-K456 VanDerWaalsContact O-N 3.1Å | ||
| 457 | A | 91.6 | Very high | 89.2 | Confident | 23 Ų | 23 | 49.9 Ų | 49.9 | 19% | 0.19 | 25% | 0.252 | C | S | . | . | trans | -70.4 | -34.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113 | Y445 Y446 M449 I459 | Y445-A457 CarbonylContact C-O 3.52Å; Y445-A457 WeakPolarHBondContact CA-O 3.34Å; Y445-A457 WeakPolarHBondContact CB-O 3.47Å; Y446-A457 WeakPolarHBondContact CD2-O 3.37Å; Y446-A457 PolarHBondContact N-O 2.64Å; M449-A457 HydrophobicContact CG-CB 4.17Å; M449-A457 HydrophobicContact SD-CB 3.64Å; M449-A457 PolarHBondContact SD-N 3.02Å; A457-I459 PolarHBondContact O-N 2.99Å | ||
| 458 | T | 93.8 | Very high | 89.2 | Confident | 33 Ų | 33 | 51.1 Ų | 51.1 | 20% | 0.202 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 129.6 | -172.7 | -53.5 | 0 | 0 | 0 | 0 | 111.9 | E443 Q585 | E443-T458 HydrophobicContact CG-CG2 3.74Å; E443-T458 WeakPolarHBondContact OE1-CB 3.48Å; E443-T458 WeakPolarHBondContact OE1-CG2 3.47Å; E443-T458 PolarHBondContact OE1-OG1 3.31Å; T458-Q585 HydrophobicContact CG2-CG 4.32Å; T458-Q585 VanDerWaalsContact O-CG 3.31Å; T458-Q585 WeakPolarHBondContact O-CG 3.44Å |
| 459 | I | 95.1 | Very high | 89.2 | Confident | 5 Ų | 5 | 51.4 Ų | 51.4 | 3% | 0.026 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | -47.4 | 172.6 | -63.5 | 163.7 | 0 | 0 | 0 | 109.5 | D150 I402 A444 Y446 A457 F490 L584 Q585 | D150-I459 HydrophobicContact CB-CG1 4.43Å; D150-I459 HydrophobicContact CB-CG2 3.78Å; D150-I459 VanDerWaalsContact CG-CG2 3.44Å; D150-I459 WeakPolarHBondContact OD1-CG2 3.38Å; I402-I459 HydrophobicContact CD1-CD1 4.11Å; I402-I459 HydrophobicContact CG1-CD1 4.04Å; I402-I459 HydrophobicContact CG2-CD1 3.82Å; A444-I459 HydrophobicContact CB-CB 4.13Å; A444-I459 HydrophobicContact CB-CD1 4.45Å; A444-I459 PolarHBondContact O-N 3.39Å; Y446-I459 HydrophobicContact CD1-CD1 4.08Å; Y446-I459 HydrophobicContact CD2-CG1 4.13Å; Y446-I459 HydrophobicContact CE1-CD1 3.75Å; Y446-I459 HydrophobicContact CE1-CG1 4.19Å; Y446-I459 HydrophobicContact CE2-CD1 4.22Å; Y446-I459 HydrophobicContact CE2-CG1 3.73Å; Y446-I459 HydrophobicContact CG-CD1 4.45Å; A457-I459 PolarHBondContact O-N 2.99Å; I459-F490 HydrophobicContact CG2-CB 4.31Å; I459-L584 HydrophobicContact CG2-CD2 4.33Å; I459-Q585 PolarHBondContact O-N 3.01Å |
| 460 | G | 94.5 | Very high | 89.1 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 178.6 | 160.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | E443 A444 K583 | E443-G460 WeakPolarHBondContact CA-O 3.39Å; A444-G460 PolarHBondContact N-O 3.33Å; A444-G460 PolarHBondContact O-N 2.66Å; G460-K583 CarbonylContact C-O 3.6Å; G460-K583 VanDerWaalsContact CA-O 3.23Å; G460-K583 WeakPolarHBondContact CA-O 3.49Å |
| 461 | E | 95.2 | Very high | 88.9 | Confident | 43 Ų | 43 | 47 Ų | 47 | 20% | 0.201 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 138.7 | 174.8 | -64.9 | 151.3 | -147.4 | 0 | 0 | 108.9 | M441 E443 K583 | M441-E461 HydrophobicContact CG-CB 4.46Å; M441-E461 HydrophobicContact SD-CB 4.07Å; M441-E461 HydrophobicContact SD-CG 4.06Å; E443-E461 HydrophobicContact CG-CG 4.18Å; E461-K583 HydrophobicContact CB-CB 4.4Å; E461-K583 PolarHBondContact N-O 3.36Å; E461-K583 PolarHBondContact O-N 3.12Å; E461-K583 IonicContact OE1-NZ 2.75Å; E461-K583 PolarHBondContact OE1-NZ 3.2Å; E461-K583 WeakPolarHBondContact OE2-CD 3.32Å; E461-K583 IonicContact OE2-NZ 2.69Å; E461-K583 PolarHBondContact OE2-NZ 2.72Å |
| 462 | F | 95.9 | Very high | 88.7 | Confident | 11 Ų | 11 | 46.8 Ų | 46.8 | 5% | 0.048 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 115.2 | 178.6 | -57.5 | -90.6 | 0 | 0 | 0 | 109.7 | M441 L442 A444 F490 V492 I580 E581 L584 | M441-F462 CarbonylContact C-O 3.52Å; M441-F462 WeakPolarHBondContact CA-O 3.39Å; L442-F462 PolarHBondContact N-O 2.97Å; L442-F462 PolarHBondContact O-N 2.73Å; A444-F462 HydrophobicContact CB-CE2 4.04Å; F462-F490 HydrophobicContact CD2-CE1 4.37Å; F462-F490 AromaticContact CE2-CD1 3.92Å; F462-F490 HydrophobicContact CE2-CD1 3.92Å; F462-F490 AromaticContact CE2-CE1 3.62Å; F462-F490 HydrophobicContact CE2-CE1 3.62Å; F462-F490 AromaticContact CZ-CD1 3.9Å; F462-F490 HydrophobicContact CZ-CD1 3.9Å; F462-F490 AromaticContact CZ-CE1 3.91Å; F462-F490 HydrophobicContact CZ-CE1 3.91Å; F462-V492 HydrophobicContact CB-CG2 3.83Å; F462-V492 HydrophobicContact CD1-CB 4.04Å; F462-V492 HydrophobicContact CD1-CG2 3.57Å; F462-V492 HydrophobicContact CD2-CG2 3.74Å; F462-V492 HydrophobicContact CE1-CB 4.45Å; F462-V492 HydrophobicContact CE1-CG2 4.01Å; F462-V492 HydrophobicContact CE2-CG2 4.17Å; F462-V492 HydrophobicContact CG-CB 4.32Å; F462-V492 HydrophobicContact CG-CG2 3.42Å; F462-V492 VanDerWaalsContact CG-CG2 3.42Å; F462-V492 HydrophobicContact CZ-CG2 4.29Å; F462-I580 HydrophobicContact CB-CG2 4.32Å; F462-I580 HydrophobicContact CD1-CG2 4.29Å; F462-E581 CarbonylContact C-O 3.58Å; F462-E581 WeakPolarHBondContact CA-O 3.45Å; F462-L584 HydrophobicContact CE1-CD2 4.5Å; F462-L584 HydrophobicContact CZ-CD2 3.9Å |
| 463 | L | 94.9 | Very high | 88.3 | Confident | 55 Ų | 55 | 48.1 Ų | 48.1 | 29% | 0.288 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 118.7 | 175.6 | 174.4 | 62.1 | 0 | 0 | 0 | 109.5 | P439 Q465 I580 E581 | P439-L463 HydrophobicContact CB-CD1 4.25Å; L463-Q465 HydrophobicContact CD2-CG 4.17Å; L463-Q465 HydrophobicContact CG-CG 4.02Å; L463-I580 WeakPolarHBondContact O-CA 3.48Å; L463-E581 HydrophobicContact CB-CB 4.33Å; L463-E581 PolarHBondContact N-O 3.47Å; L463-E581 PolarHBondContact O-N 3.12Å |
| 464 | I | 94.5 | Very high | 88.3 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 106.2 | 172.9 | -61.5 | 78.3 | 0 | 0 | 0 | 107.1 | P439 F440 L442 V467 V480 A495 L578 | P439-I464 VanDerWaalsContact CA-O 3.31Å; P439-I464 WeakPolarHBondContact CA-O 3.45Å; P439-I464 WeakPolarHBondContact CB-O 3.28Å; F440-I464 HydrophobicContact CD1-CB 4.18Å; F440-I464 HydrophobicContact CE1-CB 3.85Å; F440-I464 HydrophobicContact CE1-CD1 4.41Å; F440-I464 HydrophobicContact CE1-CG1 4.24Å; F440-I464 HydrophobicContact CE1-CG2 4.1Å; F440-I464 HydrophobicContact CE2-CD1 4.23Å; F440-I464 HydrophobicContact CZ-CB 4.36Å; F440-I464 HydrophobicContact CZ-CD1 4.12Å; F440-I464 HydrophobicContact CZ-CG1 4.24Å; F440-I464 PolarHBondContact N-O 3.33Å; F440-I464 PolarHBondContact O-N 3.19Å; L442-I464 HydrophobicContact CB-CD1 4.37Å; L442-I464 HydrophobicContact CD1-CD1 3.83Å; L442-I464 HydrophobicContact CG-CD1 3.74Å; I464-V467 HydrophobicContact CG2-CG2 3.84Å; I464-V480 HydrophobicContact CG1-CG2 4.42Å; I464-A495 HydrophobicContact CG1-CB 4.16Å; I464-A495 HydrophobicContact CG2-CB 3.78Å; I464-L578 HydrophobicContact CG2-CB 4.04Å; I464-L578 HydrophobicContact CG2-CD1 3.67Å |
| 465 | Q | 92.9 | Very high | 88.3 | Confident | 59 Ų | 59 | 51.7 Ų | 51.7 | 28% | 0.276 | 31% | 0.308 | S | S | . | . | trans | -83.6 | 171.3 | -175.5 | -60.1 | -177.8 | -7.2 | 0 | 0 | 111.9 | L463 V467 P579 E581 | L463-Q465 HydrophobicContact CD2-CG 4.17Å; L463-Q465 HydrophobicContact CG-CG 4.02Å; Q465-V467 PolarHBondContact O-N 2.72Å; Q465-P579 HydrophobicContact CB-CB 4.19Å; Q465-P579 PolarHBondContact N-O 2.82Å; Q465-E581 PolarHBondContact NE2-OE2 3.28Å | ||
| 466 | N | 91.6 | Very high | 88.4 | Confident | 104 Ų | 104 | 49 Ų | 49 | 56% | 0.556 | 29% | 0.291 | S | S | * | . | trans | 54.5 | 20.3 | 172.5 | -59.3 | -12.6 | 0 | 0 | 0 | 116.3 | V468 L578 | N466-V468 PolarHBondContact O-N 3.42Å; N466-L578 HydrophobicContact CB-CD2 4.4Å | ||
| 467 | V | 88 | Confident | 88.7 | Confident | 4 Ų | 4 | 48 Ų | 48 | 2% | 0.024 | 29% | 0.287 | C | S | . | . | trans | -70.5 | 115.1 | 169.1 | 179 | 0 | 0 | 0 | 0 | 108.8 | R436 E438 P439 F440 I464 Q465 V478 L578 | R436-V467 HydrophobicContact CB-CG1 3.66Å; E438-V467 CarbonylContact C-O 3.52Å; E438-V467 WeakPolarHBondContact CA-O 3.26Å; E438-V467 WeakPolarHBondContact O-CB 3.3Å; E438-V467 WeakPolarHBondContact O-CG1 3.42Å; P439-V467 WeakPolarHBondContact CD-O 3.24Å; F440-V467 HydrophobicContact CD1-CG2 4.16Å; F440-V467 HydrophobicContact CE1-CG2 4.13Å; I464-V467 HydrophobicContact CG2-CG2 3.84Å; Q465-V467 PolarHBondContact O-N 2.72Å; V467-V478 HydrophobicContact CG1-CG2 3.97Å; V467-V478 HydrophobicContact CG2-CG2 4.13Å; V467-L578 HydrophobicContact CG2-CD1 3.69Å | ||
| 468 | V | 86.8 | Confident | 88.7 | Confident | 81 Ų | 81 | 47 Ų | 47 | 49% | 0.491 | 28% | 0.278 | S | S | . | . | trans | -112.7 | 153.5 | 176.3 | -67.7 | 0 | 0 | 0 | 0 | 110.4 | K437 N466 S476 L497 | K437-V468 CarbonylContact O-C 3.54Å; N466-V468 PolarHBondContact O-N 3.42Å; V468-S476 WeakPolarHBondContact O-CB 3.29Å; V468-S476 PolarHBondContact O-OG 3.33Å; V468-L497 HydrophobicContact CG2-CD1 4.11Å | ||
| 469 | P | 85 | Confident | 88.7 | Confident | 60 Ų | 60 | 49.9 Ų | 49.9 | 39% | 0.39 | 29% | 0.288 | S | S | . | . | trans | -69.5 | 166.2 | 173.2 | 33 | -34.7 | 0 | 0 | 0 | 110.3 | K437 E474 | K437-P469 HydrophobicContact CB-CB 4.28Å; K437-P469 HydrophobicContact CG-CB 4.4Å; K437-P469 VanDerWaalsContact O-CD 3.22Å; K437-P469 WeakPolarHBondContact O-CD 3Å; P469-E474 WeakPolarHBondContact CB-O 3.4Å | ||
| 470 | R | 82.7 | Confident | 88.8 | Confident | 80 Ų | 80 | 49.6 Ų | 49.6 | 30% | 0.302 | 29% | 0.286 | S | S | . | . | trans | -66.6 | 162.5 | 171 | -69.5 | 176.4 | 165.3 | 171.9 | -3.1 | 110.7 | S472 G473 E474 S476 | R470-S472 WeakPolarHBondContact CB-OG 3.46Å; R470-S472 PolarHBondContact O-N 2.86Å; R470-G473 PolarHBondContact O-N 3.25Å; R470-E474 HydrophobicContact CB-CB 4.48Å; R470-E474 PolarHBondContact N-O 3.47Å; R470-E474 IonicContact NH1-OE2 3.8Å; R470-S476 PolarHBondContact N-OG 3.05Å | ||
| 471 | A | 77.6 | Confident | 88.9 | Confident | 123 Ų | 123 | 53.8 Ų | 53.8 | 100% | 1.017 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -16.6 | 170.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 472 | S | 76.8 | Confident | 89 | Confident | 77 Ų | 77 | 51.7 Ų | 51.7 | 54% | 0.538 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -2.1 | 171.5 | 49.9 | 0 | 0 | 0 | 0 | 115 | R470 E474 | R470-S472 WeakPolarHBondContact CB-OG 3.46Å; R470-S472 PolarHBondContact O-N 2.86Å; S472-E474 PolarHBondContact O-N 2.69Å; S472-E474 WeakPolarHBondContact OG-CB 3.39Å; S472-E474 WeakPolarHBondContact OG-CG 3.36Å; S472-E474 PolarHBondContact OG-OE2 3.22Å |
| 473 | G | 77.1 | Confident | 89 | Confident | 40 Ų | 40 | 55.6 Ų | 55.6 | 41% | 0.412 | 31% | 0.309 | S | S | . | . | S | Bend | trans | 74.6 | 0.8 | -170.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | K437 R470 | K437-G473 WeakPolarHBondContact CE-O 3.28Å; K437-G473 PolarHBondContact NZ-O 2.92Å; R470-G473 PolarHBondContact O-N 3.25Å |
| 474 | E | 83.4 | Confident | 89.1 | Confident | 105 Ų | 105 | 53 Ų | 53 | 49% | 0.491 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -78.2 | 160.9 | 176.6 | -64.1 | 175.6 | 139.2 | 0 | 0 | 112.5 | P469 R470 S472 S476 | P469-E474 WeakPolarHBondContact CB-O 3.4Å; R470-E474 HydrophobicContact CB-CB 4.48Å; R470-E474 PolarHBondContact N-O 3.47Å; R470-E474 IonicContact NH1-OE2 3.8Å; S472-E474 PolarHBondContact O-N 2.69Å; S472-E474 WeakPolarHBondContact OG-CB 3.39Å; S472-E474 WeakPolarHBondContact OG-CG 3.36Å; S472-E474 PolarHBondContact OG-OE2 3.22Å; E474-S476 PolarHBondContact O-N 3.32Å |
| 475 | S | 85.2 | Confident | 89.1 | Confident | 39 Ų | 39 | 54.6 Ų | 54.6 | 27% | 0.273 | 30% | 0.304 | S | S | . | . | P | Polyproline II helix | trans | -61 | 123.5 | 173 | -59.7 | 0 | 0 | 0 | 0 | 112.2 | R436 | R436-S475 CarbonylContact O-C 3.56Å; R436-S475 WeakPolarHBondContact O-CA 3.5Å |
| 476 | S | 87.9 | Confident | 89.2 | Confident | 3 Ų | 3 | 54.4 Ų | 54.4 | 2% | 0.021 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 146.4 | 170.5 | -76.4 | 0 | 0 | 0 | 0 | 111.7 | Y435 R436 V468 R470 E474 V478 | Y435-S476 CarbonylContact C-O 3.58Å; Y435-S476 WeakPolarHBondContact CA-O 3.35Å; R436-S476 PolarHBondContact N-O 3.29Å; R436-S476 PolarHBondContact O-N 3.41Å; V468-S476 WeakPolarHBondContact O-CB 3.29Å; V468-S476 PolarHBondContact O-OG 3.33Å; R470-S476 PolarHBondContact N-OG 3.05Å; E474-S476 PolarHBondContact O-N 3.32Å; S476-V478 PolarHBondContact O-N 2.94Å |
| 477 | K | 91.3 | Very high | 89.4 | Confident | 64 Ų | 64 | 50.6 Ų | 50.6 | 28% | 0.278 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 106.8 | 179.6 | -177.2 | 174.4 | -171.4 | 163.7 | 0 | 109.4 | T433 Y435 V498 | T433-K477 HydrophobicContact CG2-CD 4.34Å; T433-K477 VanDerWaalsContact CG2-CE 3.46Å; T433-K477 HydrophobicContact CG2-CG 3.93Å; Y435-K477 HydrophobicContact CD1-CB 4.04Å; Y435-K477 HydrophobicContact CD1-CG 4.27Å; Y435-K477 HydrophobicContact CE1-CB 3.74Å; Y435-K477 HydrophobicContact CE1-CD 3.86Å; Y435-K477 HydrophobicContact CE1-CG 3.64Å; Y435-K477 WeakPolarHBondContact OH-CE 3.49Å; Y435-K477 PolarHBondContact OH-NZ 2.71Å; K477-V498 HydrophobicContact CB-CB 4.33Å; K477-V498 PolarHBondContact O-N 2.95Å |
| 478 | V | 92.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 122.5 | 179.1 | -175.3 | 0 | 0 | 0 | 0 | 109.3 | T433 F434 R436 F440 V467 S476 V480 A496 L578 | T433-V478 WeakPolarHBondContact CA-O 3.44Å; F434-V478 PolarHBondContact N-O 3.07Å; F434-V478 PolarHBondContact O-N 3.48Å; R436-V478 HydrophobicContact CB-CG2 4.5Å; F440-V478 HydrophobicContact CE1-CG1 4.35Å; V467-V478 HydrophobicContact CG1-CG2 3.97Å; V467-V478 HydrophobicContact CG2-CG2 4.13Å; S476-V478 PolarHBondContact O-N 2.94Å; V478-V480 HydrophobicContact CG1-CG2 3.94Å; V478-A496 WeakPolarHBondContact CA-O 3.09Å; V478-L578 HydrophobicContact CG1-CD1 3.74Å; V478-L578 HydrophobicContact CG2-CD1 4.28Å |
| 479 | K | 94.6 | Very high | 90.2 | Very high | 94 Ų | 94 | 47.8 Ų | 47.8 | 41% | 0.409 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 129.3 | 168.5 | -69.9 | 175.6 | 178 | 172.9 | 0 | 108.6 | V431 L432 A495 A496 V498 | V431-K479 HydrophobicContact CG1-CB 4.19Å; V431-K479 HydrophobicContact CG1-CG 4.48Å; L432-K479 WeakPolarHBondContact O-CA 3.37Å; K479-A495 CarbonylContact O-C 3.46Å; K479-A495 WeakPolarHBondContact O-CA 3.43Å; K479-A496 PolarHBondContact N-O 3.37Å; K479-A496 PolarHBondContact O-N 3.5Å; K479-V498 HydrophobicContact CD-CG2 3.92Å; K479-V498 HydrophobicContact CG-CG2 4.03Å |
| 480 | V | 96.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 124.5 | 175.5 | -175.9 | 0 | 0 | 0 | 0 | 109 | V431 L432 F434 F440 L442 I464 V478 V482 V492 A495 | V431-V480 WeakPolarHBondContact CA-O 3.3Å; L432-V480 PolarHBondContact N-O 2.86Å; L432-V480 PolarHBondContact O-N 3.15Å; F434-V480 HydrophobicContact CD2-CB 4.29Å; F434-V480 HydrophobicContact CD2-CG2 3.74Å; F434-V480 HydrophobicContact CE2-CB 3.96Å; F434-V480 HydrophobicContact CE2-CG2 3.83Å; F440-V480 HydrophobicContact CZ-CG2 4.29Å; L442-V480 HydrophobicContact CD1-CG1 4.03Å; I464-V480 HydrophobicContact CG1-CG2 4.42Å; V478-V480 HydrophobicContact CG1-CG2 3.94Å; V480-V482 HydrophobicContact CG1-CG1 4.02Å; V480-V492 HydrophobicContact CG1-CG1 3.41Å; V480-V492 VanDerWaalsContact CG1-CG1 3.41Å; V480-A495 HydrophobicContact CG2-CB 4.1Å |
| 481 | K | 96.6 | Very high | 91.3 | Very high | 87 Ų | 87 | 42.7 Ų | 42.7 | 38% | 0.378 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 104.6 | -178.1 | -176 | -173.7 | 174.7 | -175.5 | 0 | 109.8 | V431 S493 S494 | V431-K481 HydrophobicContact CG2-CB 4.19Å; V431-K481 HydrophobicContact CG2-CG 4.05Å; K481-S493 WeakPolarHBondContact CD-OG 3.42Å; K481-S493 WeakPolarHBondContact CG-OG 3.39Å; K481-S493 PolarHBondContact O-N 3.12Å; K481-S493 PolarHBondContact O-OG 3.34Å; K481-S494 PolarHBondContact N-O 3.44Å |
| 482 | V | 96.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 143.3 | -179.8 | -61.8 | 0 | 0 | 0 | 0 | 110.8 | L404 V419 F420 S429 K430 L432 V480 F490 S491 V492 | L404-V482 HydrophobicContact CD1-CB 4.45Å; L404-V482 HydrophobicContact CD1-CG1 3.89Å; L404-V482 HydrophobicContact CD1-CG2 4.2Å; V419-V482 HydrophobicContact CG1-CG2 3.47Å; V419-V482 VanDerWaalsContact CG1-CG2 3.47Å; F420-V482 HydrophobicContact CE2-CG2 4.49Å; S429-V482 CarbonylContact C-O 3.15Å; S429-V482 VanDerWaalsContact CA-O 3.3Å; S429-V482 WeakPolarHBondContact CA-O 3.46Å; K430-V482 HydrophobicContact CB-CG2 4.26Å; K430-V482 PolarHBondContact N-O 3.42Å; K430-V482 WeakPolarHBondContact O-CG2 3.47Å; K430-V482 PolarHBondContact O-N 3.09Å; L432-V482 HydrophobicContact CD1-CG2 4.29Å; L432-V482 HydrophobicContact CG-CG2 4.45Å; V480-V482 HydrophobicContact CG1-CG1 4.02Å; V482-F490 HydrophobicContact CB-CE2 4.08Å; V482-F490 HydrophobicContact CB-CZ 3.85Å; V482-F490 HydrophobicContact CG1-CZ 4.03Å; V482-S491 CarbonylContact C-O 3.59Å; V482-S491 WeakPolarHBondContact CA-O 3.33Å; V482-V492 HydrophobicContact CG1-CG1 4.33Å; V482-V492 HydrophobicContact CG1-CG2 4.09Å |
| 483 | R | 96.6 | Very high | 92.9 | Very high | 93 Ų | 93 | 36.4 Ų | 36.4 | 35% | 0.351 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 134.3 | -166.7 | 175.4 | 173.2 | -167.1 | -171 | 5.2 | 112.1 | F428 S429 F490 S491 | F428-R483 WeakPolarHBondContact O-CA 3.31Å; F428-R483 WeakPolarHBondContact O-CG 3.46Å; S429-R483 WeakPolarHBondContact OG-CD 3.45Å; S429-R483 WeakPolarHBondContact OG-CG 3.48Å; R483-F490 CarbonylContact O-C 3.54Å; R483-F490 WeakPolarHBondContact O-CA 3.21Å; R483-S491 PolarHBondContact N-O 3.47Å; R483-S491 PolarHBondContact O-N 2.93Å; R483-S491 PolarHBondContact O-OG 2.96Å |
| 484 | V | 96.8 | Very high | 93.7 | Very high | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.006 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 123.6 | 153.2 | 180 | 0 | 0 | 0 | 0 | 107.7 | V398 I402 F420 A426 P427 F428 V489 | V398-V484 HydrophobicContact CG2-CB 4.43Å; V398-V484 HydrophobicContact CG2-CG1 4.22Å; V398-V484 HydrophobicContact CG2-CG2 4.17Å; I402-V484 HydrophobicContact CD1-CG2 4.27Å; F420-V484 HydrophobicContact CD1-CG2 4.14Å; F420-V484 HydrophobicContact CD2-CG2 3.79Å; F420-V484 HydrophobicContact CE1-CG2 4.15Å; F420-V484 HydrophobicContact CE2-CG2 3.81Å; F420-V484 HydrophobicContact CG-CG2 3.96Å; F420-V484 HydrophobicContact CZ-CG2 4.01Å; A426-V484 HydrophobicContact CB-CG1 4.28Å; P427-V484 WeakPolarHBondContact CA-O 3.48Å; P427-V484 WeakPolarHBondContact CB-O 3.46Å; F428-V484 PolarHBondContact N-O 3.13Å; F428-V484 VanDerWaalsContact N-O 3.07Å; F428-V484 PolarHBondContact O-N 3.48Å; V484-V489 WeakPolarHBondContact CA-O 3.4Å |
| 485 | N | 95 | Very high | 94.2 | Very high | 32 Ų | 32 | 31.7 Ų | 31.7 | 17% | 0.171 | 17% | 0.172 | C | C | . | . | trans | -91 | -172.6 | -172.9 | 76.6 | 12.9 | 0 | 0 | 0 | 112.6 | H487 G488 V489 | N485-H487 PolarHBondContact O-N 3.05Å; N485-H487 WeakPolarHBondContact OD1-CB 3.44Å; N485-H487 PolarHBondContact OD1-CD2 2.99Å; N485-H487 PolarHBondContact OD1-N 2.92Å; N485-G488 PolarHBondContact O-N 3.16Å; N485-G488 VanDerWaalsContact O-N 3.15Å; N485-G488 PolarHBondContact OD1-N 2.9Å; N485-V489 PolarHBondContact N-O 2.91Å; N485-V489 WeakPolarHBondContact ND2-CG2 3.4Å; N485-V489 WeakPolarHBondContact OD1-CG2 3.37Å; N485-V489 PolarHBondContact OD1-N 3.08Å; N485-V489 PolarHBondContact OD1-O 3.25Å | ||
| 486 | V | 94.4 | Very high | 94.7 | Very high | 55 Ų | 55 | 30.4 Ų | 30.4 | 33% | 0.333 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -19.4 | -175.6 | -63.7 | 0 | 0 | 0 | 0 | 114.5 | R169 P427 | R169-V486 WeakPolarHBondContact CG-O 3.38Å; R169-V486 PolarHBondContact NE-O 2.66Å; P427-V486 HydrophobicContact CB-CG1 4.36Å; P427-V486 HydrophobicContact CG-CG1 4.11Å |
| 487 | H | 96.3 | Very high | 94.8 | Very high | 24 Ų | 24 | 30.5 Ų | 30.5 | 11% | 0.111 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -7.8 | 177.6 | -46.1 | -99.4 | 0 | 0 | 0 | 112.2 | R153 M157 C167 L170 N485 V489 | R153-H487 WeakPolarHBondContact CD-O 3.38Å; R153-H487 PolarHBondContact NH1-O 3.37Å; M157-H487 HydrophobicContact SD-CB 4.01Å; C167-H487 PolarHBondContact O-CE1 2.61Å; L170-H487 HydrophobicContact CB-CB 3.97Å; L170-H487 HydrophobicContact CD1-CB 4.4Å; L170-H487 HydrophobicContact CG-CB 4.2Å; L170-H487 PolarHBondContact N-ND1 3.12Å; N485-H487 PolarHBondContact O-N 3.05Å; N485-H487 WeakPolarHBondContact OD1-CB 3.44Å; N485-H487 PolarHBondContact OD1-CD2 2.99Å; N485-H487 PolarHBondContact OD1-N 2.92Å; H487-V489 HydrophobicContact CB-CG2 4.48Å |
| 488 | G | 95 | Very high | 94.6 | Very high | 25 Ų | 25 | 28 Ų | 28 | 26% | 0.258 | 15% | 0.154 | S | C | . | . | S | Bend | trans | 86.3 | 8.6 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | N485 | N485-G488 PolarHBondContact O-N 3.16Å; N485-G488 VanDerWaalsContact O-N 3.15Å; N485-G488 PolarHBondContact OD1-N 2.9Å |
| 489 | V | 95.9 | Very high | 94 | Very high | 2 Ų | 2 | 31.2 Ų | 31.2 | 1% | 0.012 | 17% | 0.169 | C | C | . | . | trans | -95.1 | 147.4 | 179.1 | -57.9 | 0 | 0 | 0 | 0 | 112.7 | D150 R153 V484 N485 H487 | D150-V489 VanDerWaalsContact OD2-CA 3.24Å; D150-V489 WeakPolarHBondContact OD2-CA 3.39Å; D150-V489 VanDerWaalsContact OD2-CB 3.24Å; D150-V489 WeakPolarHBondContact OD2-CB 3.47Å; R153-V489 HydrophobicContact CB-CG1 3.47Å; R153-V489 VanDerWaalsContact CB-CG1 3.47Å; R153-V489 HydrophobicContact CG-CG1 4.36Å; V484-V489 WeakPolarHBondContact CA-O 3.4Å; N485-V489 PolarHBondContact N-O 2.91Å; N485-V489 WeakPolarHBondContact ND2-CG2 3.4Å; N485-V489 WeakPolarHBondContact OD1-CG2 3.37Å; N485-V489 PolarHBondContact OD1-N 3.08Å; N485-V489 PolarHBondContact OD1-O 3.25Å; H487-V489 HydrophobicContact CB-CG2 4.48Å | ||
| 490 | F | 96.4 | Very high | 93 | Very high | 1 Ų | 1 | 30 Ų | 30 | 0% | 0.004 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 150.8 | 177.9 | -177.7 | -87.7 | 0 | 0 | 0 | 111.7 | D150 R154 I402 L404 F420 A444 I459 F462 V482 R483 V492 | D150-F490 PolarHBondContact OD2-N 3.1Å; R154-F490 PolarHBondContact NH2-O 2.73Å; I402-F490 HydrophobicContact CD1-CD2 4.45Å; I402-F490 HydrophobicContact CG2-CD2 4Å; I402-F490 HydrophobicContact CG2-CE2 4.25Å; L404-F490 HydrophobicContact CD1-CZ 4.27Å; L404-F490 HydrophobicContact CD2-CE1 4.31Å; L404-F490 HydrophobicContact CD2-CZ 3.78Å; L404-F490 HydrophobicContact CG-CZ 4.32Å; F420-F490 HydrophobicContact CD2-CD2 4.32Å; F420-F490 HydrophobicContact CD2-CE2 4.34Å; F420-F490 AromaticContact CE2-CD2 3.98Å; F420-F490 HydrophobicContact CE2-CD2 3.98Å; F420-F490 AromaticContact CE2-CE2 3.84Å; F420-F490 HydrophobicContact CE2-CE2 3.84Å; A444-F490 HydrophobicContact CB-CD1 3.88Å; A444-F490 HydrophobicContact CB-CE1 3.69Å; A444-F490 HydrophobicContact CB-CG 4.46Å; A444-F490 HydrophobicContact CB-CZ 4.09Å; I459-F490 HydrophobicContact CG2-CB 4.31Å; F462-F490 HydrophobicContact CD2-CE1 4.37Å; F462-F490 AromaticContact CE2-CD1 3.92Å; F462-F490 HydrophobicContact CE2-CD1 3.92Å; F462-F490 AromaticContact CE2-CE1 3.62Å; F462-F490 HydrophobicContact CE2-CE1 3.62Å; F462-F490 AromaticContact CZ-CD1 3.9Å; F462-F490 HydrophobicContact CZ-CD1 3.9Å; F462-F490 AromaticContact CZ-CE1 3.91Å; F462-F490 HydrophobicContact CZ-CE1 3.91Å; V482-F490 HydrophobicContact CB-CE2 4.08Å; V482-F490 HydrophobicContact CB-CZ 3.85Å; V482-F490 HydrophobicContact CG1-CZ 4.03Å; R483-F490 CarbonylContact O-C 3.54Å; R483-F490 WeakPolarHBondContact O-CA 3.21Å; F490-V492 HydrophobicContact CE1-CG2 4.1Å |
| 491 | S | 94.8 | Very high | 91.5 | Very high | 31 Ų | 31 | 33.8 Ų | 33.8 | 22% | 0.217 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.3 | 144.4 | 176.6 | 52.7 | 0 | 0 | 0 | 0 | 111.6 | V482 R483 | V482-S491 CarbonylContact C-O 3.59Å; V482-S491 WeakPolarHBondContact CA-O 3.33Å; R483-S491 PolarHBondContact N-O 3.47Å; R483-S491 PolarHBondContact O-N 2.93Å; R483-S491 PolarHBondContact O-OG 2.96Å |
| 492 | V | 95.5 | Very high | 89.6 | Confident | 17 Ų | 17 | 38.1 Ų | 38.1 | 10% | 0.103 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 106.8 | 159.5 | -172.8 | 0 | 0 | 0 | 0 | 106.8 | F462 V480 V482 F490 I580 | F462-V492 HydrophobicContact CB-CG2 3.83Å; F462-V492 HydrophobicContact CD1-CB 4.04Å; F462-V492 HydrophobicContact CD1-CG2 3.57Å; F462-V492 HydrophobicContact CD2-CG2 3.74Å; F462-V492 HydrophobicContact CE1-CB 4.45Å; F462-V492 HydrophobicContact CE1-CG2 4.01Å; F462-V492 HydrophobicContact CE2-CG2 4.17Å; F462-V492 HydrophobicContact CG-CB 4.32Å; F462-V492 HydrophobicContact CG-CG2 3.42Å; F462-V492 VanDerWaalsContact CG-CG2 3.42Å; F462-V492 HydrophobicContact CZ-CG2 4.29Å; V480-V492 HydrophobicContact CG1-CG1 3.41Å; V480-V492 VanDerWaalsContact CG1-CG1 3.41Å; V482-V492 HydrophobicContact CG1-CG1 4.33Å; V482-V492 HydrophobicContact CG1-CG2 4.09Å; F490-V492 HydrophobicContact CE1-CG2 4.1Å; V492-I580 HydrophobicContact CB-CD1 4.32Å; V492-I580 HydrophobicContact CB-CG2 4.26Å; V492-I580 HydrophobicContact CG1-CD1 3.63Å; V492-I580 HydrophobicContact CG1-CG1 4.31Å; V492-I580 HydrophobicContact CG1-CG2 4.35Å |
| 493 | S | 92.2 | Very high | 87.1 | Confident | 52 Ų | 52 | 42.8 Ų | 42.8 | 36% | 0.364 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | -13.4 | -167.6 | 68 | 0 | 0 | 0 | 0 | 114.9 | K481 | K481-S493 WeakPolarHBondContact CD-OG 3.42Å; K481-S493 WeakPolarHBondContact CG-OG 3.39Å; K481-S493 PolarHBondContact O-N 3.12Å; K481-S493 PolarHBondContact O-OG 3.34Å |
| 494 | S | 94.6 | Very high | 84.4 | Confident | 44 Ų | 44 | 44.9 Ų | 44.9 | 31% | 0.308 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -175.8 | 148.6 | 174.1 | 15.1 | 0 | 0 | 0 | 0 | 109.4 | K481 | K481-S494 PolarHBondContact N-O 3.44Å |
| 495 | A | 94.5 | Very high | 81.8 | Confident | 2 Ų | 2 | 54.3 Ų | 54.3 | 2% | 0.017 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 134.6 | 168.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | I464 K479 V480 L578 I580 | I464-A495 HydrophobicContact CG1-CB 4.16Å; I464-A495 HydrophobicContact CG2-CB 3.78Å; K479-A495 CarbonylContact O-C 3.46Å; K479-A495 WeakPolarHBondContact O-CA 3.43Å; V480-A495 HydrophobicContact CG2-CB 4.1Å; A495-L578 HydrophobicContact CB-CB 4.12Å; A495-L578 PolarHBondContact O-N 2.96Å; A495-I580 HydrophobicContact CB-CD1 3.94Å; A495-I580 HydrophobicContact CB-CG1 3.92Å |
| 496 | A | 93.8 | Very high | 79 | Confident | 12 Ų | 12 | 55.9 Ų | 55.9 | 10% | 0.099 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 129.9 | -176 | 0 | 0 | 0 | 0 | 0 | 111.6 | V478 K479 T575 V576 | V478-A496 WeakPolarHBondContact CA-O 3.09Å; K479-A496 PolarHBondContact N-O 3.37Å; K479-A496 PolarHBondContact O-N 3.5Å; A496-T575 HydrophobicContact CB-CG2 4.04Å; A496-V576 CarbonylContact C-O 3.6Å; A496-V576 VanDerWaalsContact CA-O 3.32Å; A496-V576 WeakPolarHBondContact CA-O 3.26Å |
| 497 | L | 90.3 | Very high | 75.9 | Confident | 5 Ų | 5 | 62.5 Ų | 62.5 | 3% | 0.026 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 130.1 | 174.6 | -165.3 | 152 | 0 | 0 | 0 | 109.4 | V468 E499 T575 V576 L578 | V468-L497 HydrophobicContact CG2-CD1 4.11Å; L497-E499 HydrophobicContact CD2-CG 3.62Å; L497-T575 WeakPolarHBondContact O-CA 3.49Å; L497-V576 PolarHBondContact N-O 3.46Å; L497-V576 PolarHBondContact O-N 3.48Å; L497-L578 HydrophobicContact CB-CD1 4.16Å; L497-L578 HydrophobicContact CB-CD2 4.08Å; L497-L578 HydrophobicContact CB-CG 4.26Å |
| 498 | V | 86.9 | Confident | 73 | Confident | 10 Ų | 10 | 70.6 Ų | 70.6 | 6% | 0.061 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 99 | 179.3 | -171.7 | 0 | 0 | 0 | 0 | 109.7 | K477 K479 T573 T575 | K477-V498 HydrophobicContact CB-CB 4.33Å; K477-V498 PolarHBondContact O-N 2.95Å; K479-V498 HydrophobicContact CD-CG2 3.92Å; K479-V498 HydrophobicContact CG-CG2 4.03Å; V498-T573 HydrophobicContact CG1-CG2 4.13Å; V498-T575 HydrophobicContact CG2-CG2 4Å |
| 499 | E | 80.6 | Confident | 70.1 | Confident | 69 Ų | 69 | 75.1 Ų | 75.1 | 32% | 0.322 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 137.3 | 171.5 | -60.6 | -176.6 | 138.6 | 0 | 0 | 109.9 | L497 T573 K574 V576 | L497-E499 HydrophobicContact CD2-CG 3.62Å; E499-T573 CarbonylContact O-C 3.52Å; E499-T573 VanDerWaalsContact O-CA 3.24Å; E499-T573 WeakPolarHBondContact O-CA 3.48Å; E499-T573 WeakPolarHBondContact O-CB 3.17Å; E499-K574 HydrophobicContact CB-CB 4.26Å; E499-K574 PolarHBondContact N-O 3.38Å; E499-K574 PolarHBondContact O-N 3.39Å; E499-K574 WeakPolarHBondContact OE2-CD 3.24Å; E499-K574 IonicContact OE2-NZ 2.73Å; E499-K574 PolarHBondContact OE2-NZ 3.16Å; E499-V576 HydrophobicContact CG-CG2 4.35Å |
| 500 | V | 73.2 | Confident | 67.1 | Low | 69 Ų | 69 | 84.2 Ų | 84.2 | 42% | 0.418 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 111.7 | 168.8 | 162.6 | 0 | 0 | 0 | 0 | 106.8 | K502 V571 T573 | V500-K502 PolarHBondContact O-N 2.71Å; V500-V571 HydrophobicContact CB-CG1 4.37Å; V500-V571 HydrophobicContact CG1-CG1 3.6Å; V500-V571 HydrophobicContact CG2-CG1 4.22Å; V500-T573 HydrophobicContact CG2-CG2 4.35Å |
| 501 | I | 65.9 | Low | 64.3 | Low | 78 Ų | 78 | 93 Ų | 93 | 40% | 0.4 | 50% | 0.499 | S | S | . | . | P | Polyproline II helix | trans | -75.9 | 116.8 | 166.7 | -58 | 175.4 | 0 | 0 | 0 | 105.6 | K572 K574 | I501-K572 HydrophobicContact CB-CB 4.48Å; I501-K572 WeakPolarHBondContact CB-O 3.39Å; I501-K572 PolarHBondContact N-O 3.26Å; I501-K574 HydrophobicContact CD1-CB 4.15Å; I501-K574 HydrophobicContact CG1-CB 4.43Å |
| 502 | K | 55.4 | Low | 61.2 | Low | 178 Ų | 178 | 98.5 Ų | 98.5 | 77% | 0.774 | 53% | 0.531 | S | S | * | . | P | Polyproline II helix | trans | -78.3 | 122.6 | 157.1 | -69.9 | -173.7 | 176.2 | -174.4 | 0 | 106.1 | V500 V504 | V500-K502 PolarHBondContact O-N 2.71Å; K502-V504 PolarHBondContact O-N 3.13Å |
| 503 | D | 45.1 | Very low | 58.2 | Low | 99 Ų | 99 | 104.6 Ų | 104.6 | 53% | 0.529 | 56% | 0.563 | S | S | . | * | P | Polyproline II helix | trans | -58.8 | 135.5 | 162.8 | -58.7 | -80.7 | 0 | 0 | 0 | 107.5 | K572 | D503-K572 IonicContact OD1-NZ 2.77Å; D503-K572 PolarHBondContact OD1-NZ 3.16Å |
| 504 | V | 39.4 | Very low | 55.3 | Low | 136 Ų | 136 | 111.3 Ų | 111.3 | 82% | 0.824 | 59% | 0.589 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 128.1 | -178 | 179.3 | 0 | 0 | 0 | 0 | 108.2 | K502 G506 | K502-V504 PolarHBondContact O-N 3.13Å; V504-G506 PolarHBondContact O-N 2.99Å |
| 505 | E | 42.5 | Very low | 52.1 | Low | 200 Ų | 200 | 113 Ų | 113 | 94% | 0.935 | 61% | 0.613 | S | S | * | * | trans | -67.9 | 113.3 | 172.7 | -65.6 | 173.9 | 142.1 | 0 | 0 | 109.2 | ||||
| 506 | G | 35.3 | Very low | 49 | Very low | 65 Ų | 65 | 119.7 Ų | 119.7 | 67% | 0.67 | 65% | 0.653 | S | S | * | * | trans | 178 | 116.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | V504 | V504-G506 PolarHBondContact O-N 2.99Š| ||
| 507 | E | 29.8 | Very low | 45.9 | Very low | 194 Ų | 194 | 127.5 Ų | 127.5 | 91% | 0.907 | 69% | 0.685 | S | S | * | * | trans | 63.7 | 96.5 | 169 | -56.9 | -169.5 | 163.6 | 0 | 0 | 117.5 | P509 | E507-P509 WeakPolarHBondContact O-CD 3.48Š| ||
| 508 | E | 35.4 | Very low | 42.9 | Very low | 193 Ų | 193 | 135.1 Ų | 135.1 | 90% | 0.902 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 123 | 151.5 | -64.2 | 179.7 | 152.3 | 0 | 0 | 109.4 | ||
| 509 | P | 34.6 | Very low | 40 | Very low | 121 Ų | 121 | 144.1 Ų | 144.1 | 79% | 0.786 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 134.3 | 157.9 | -8.4 | 26.6 | 0 | 0 | 0 | 109 | E507 | E507-P509 WeakPolarHBondContact O-CD 3.48Š|
| 510 | M | 32.1 | Very low | 37.5 | Very low | 192 Ų | 192 | 148.9 Ų | 148.9 | 95% | 0.946 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 155.4 | 174.3 | -96 | -177.5 | 162.9 | 0 | 0 | 112.7 | ||
| 511 | E | 37.5 | Very low | 35.3 | Very low | 185 Ų | 185 | 151.4 Ų | 151.4 | 86% | 0.864 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 152 | -175.6 | -57.2 | 175.8 | 129.6 | 0 | 0 | 114.5 | ||
| 512 | T | 30.3 | Very low | 33.5 | Very low | 147 Ų | 147 | 156.4 Ų | 156.4 | 90% | 0.902 | 82% | 0.824 | S | S | * | * | trans | -148.1 | 115.6 | 134.8 | -10.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 513 | D | 33.2 | Very low | 32.2 | Very low | 145 Ų | 145 | 157 Ų | 157 | 78% | 0.775 | 83% | 0.832 | S | S | * | * | trans | -84.2 | 121.3 | -179.3 | 177.3 | 28.1 | 0 | 0 | 0 | 111.7 | ||||
| 514 | Q | 30.9 | Very low | 31.3 | Very low | 194 Ų | 194 | 160.8 Ų | 160.8 | 91% | 0.907 | 85% | 0.846 | S | S | * | * | trans | -179.3 | 131.6 | 154.5 | -108.1 | 154 | 88.8 | 0 | 0 | 111.7 | ||||
| 515 | G | 28 | Very low | 30.8 | Very low | 79 Ų | 79 | 160.1 Ų | 160.1 | 81% | 0.814 | 84% | 0.842 | S | S | * | * | trans | 139.3 | 81.2 | 162.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 516 | V | 29.8 | Very low | 30.1 | Very low | 142 Ų | 142 | 158.1 Ų | 158.1 | 86% | 0.861 | 84% | 0.838 | S | S | * | * | trans | -80.5 | 128.1 | 172.3 | -171.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 517 | K | 27.4 | Very low | 29.8 | Very low | 177 Ų | 177 | 162.5 Ų | 162.5 | 77% | 0.77 | 84% | 0.841 | S | S | * | * | 169.1 | 169.3 | 129 | -96.8 | -179.1 | 178.6 | -168 | 0 | 115.5 | |||||
| 518 | E | 26.6 | Very low | 29.8 | Very low | 165 Ų | 165 | 161 Ų | 161 | 77% | 0.771 | 83% | 0.833 | S | S | * | * | trans | 64.8 | 100 | 167.7 | -73.5 | 140.8 | -128.6 | 0 | 0 | 115 | ||||
| 519 | E | 27.5 | Very low | 29.4 | Very low | 198 Ų | 198 | 158.1 Ų | 158.1 | 93% | 0.925 | 83% | 0.825 | S | S | * | * | 68.4 | 139.9 | 62.9 | -69.8 | -157.7 | 130.2 | 0 | 0 | 115.7 | |||||
| 520 | E | 28.5 | Very low | 29.1 | Very low | 170 Ų | 170 | 161.4 Ų | 161.4 | 79% | 0.794 | 83% | 0.829 | S | S | * | * | trans | -74.6 | 151.2 | -177.1 | -54.9 | -173.6 | 136.2 | 0 | 0 | 112 | ||||
| 521 | S | 25.4 | Very low | 28.8 | Very low | 122 Ų | 122 | 161.6 Ų | 161.6 | 85% | 0.853 | 83% | 0.825 | S | S | * | * | trans | -146.2 | 115.1 | 155.2 | -84.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 522 | K | 28.9 | Very low | 28.8 | Very low | 183 Ų | 183 | 157.5 Ų | 157.5 | 80% | 0.796 | 81% | 0.814 | S | S | * | * | trans | -74.4 | 123.5 | 167.7 | -63.8 | 161.3 | -175.6 | 158.6 | 0 | 107.9 | Q524 | K522-Q524 PolarHBondContact O-N 3.37Š| ||
| 523 | M | 27.2 | Very low | 28.6 | Very low | 191 Ų | 191 | 159.3 Ų | 159.3 | 94% | 0.941 | 81% | 0.812 | S | S | * | * | trans | -81.9 | 93 | 161.4 | -79.7 | -171.2 | 168.9 | 0 | 0 | 109.6 | ||||
| 524 | Q | 27.4 | Very low | 28.2 | Very low | 178 Ų | 178 | 156.8 Ų | 156.8 | 83% | 0.832 | 81% | 0.812 | S | S | * | * | trans | -96.3 | 128.7 | 154.5 | -172.8 | 169.1 | -10.5 | 0 | 0 | 106.6 | K522 | K522-Q524 PolarHBondContact O-N 3.37Š| ||
| 525 | V | 28.1 | Very low | 28 | Very low | 122 Ų | 122 | 151 Ų | 151 | 74% | 0.739 | 80% | 0.804 | S | S | * | * | trans | -91.5 | 125.9 | -175.9 | 179.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 526 | D | 28.3 | Very low | 27.9 | Very low | 157 Ų | 157 | 154.3 Ų | 154.3 | 84% | 0.84 | 80% | 0.803 | S | S | * | * | trans | -156.3 | 159.9 | 153.4 | -106.9 | -39.4 | 0 | 0 | 0 | 110.3 | ||||
| 527 | H | 29.4 | Very low | 27.7 | Very low | 157 Ų | 157 | 154 Ų | 154 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | trans | -92 | 162.8 | -169.5 | -110.7 | -103.7 | 0 | 0 | 0 | 114.8 | ||||
| 528 | E | 29 | Very low | 27.6 | Very low | 162 Ų | 162 | 152.2 Ų | 152.2 | 76% | 0.757 | 79% | 0.791 | S | S | * | * | trans | -19.4 | 159.2 | 154 | -60.7 | 164.3 | 134.4 | 0 | 0 | 118.7 | ||||
| 529 | D | 27.9 | Very low | 27.7 | Very low | 134 Ų | 134 | 150.1 Ų | 150.1 | 72% | 0.717 | 79% | 0.785 | S | S | * | * | cis | -174.1 | 136.3 | -24.4 | -175.6 | 10.8 | 0 | 0 | 0 | 107.1 | ||||
| 530 | Q | 27.7 | Very low | 27.7 | Very low | 189 Ų | 189 | 147.6 Ų | 147.6 | 88% | 0.883 | 77% | 0.771 | S | S | * | * | trans | 173.2 | 156.8 | 147.5 | -99.3 | 159.6 | 72.9 | 0 | 0 | 113.1 | ||||
| 531 | K | 25.3 | Very low | 27.5 | Very low | 197 Ų | 197 | 147.5 Ų | 147.5 | 86% | 0.857 | 77% | 0.768 | S | S | * | * | trans | -137.2 | 174.8 | -173.6 | -120.1 | 177.7 | -177 | 171.9 | 0 | 107.9 | ||||
| 532 | P | 38.4 | Very low | 27.4 | Very low | 99 Ų | 99 | 146 Ų | 146 | 64% | 0.643 | 76% | 0.758 | S | S | * | * | cis | -138.7 | -163.9 | -2.6 | 35.7 | -13 | 0 | 0 | 0 | 114.5 | ||||
| 533 | Q | 26.3 | Very low | 27.2 | Very low | 184 Ų | 184 | 144.9 Ų | 144.9 | 86% | 0.86 | 76% | 0.755 | S | S | * | * | trans | 76.1 | 149.8 | 158.5 | -67.5 | 175.8 | -5.4 | 0 | 0 | 118.6 | ||||
| 534 | A | 25.3 | Very low | 27.1 | Very low | 93 Ų | 93 | 139.6 Ų | 139.6 | 77% | 0.769 | 74% | 0.742 | S | S | * | * | cis | -167.6 | 151 | -23.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 535 | G | 25.8 | Very low | 27 | Very low | 71 Ų | 71 | 138.9 Ų | 138.9 | 73% | 0.732 | 74% | 0.739 | S | S | * | * | trans | 72.3 | 170.8 | 167.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 536 | D | 24.8 | Very low | 26.9 | Very low | 150 Ų | 150 | 140.3 Ų | 140.3 | 80% | 0.802 | 74% | 0.737 | S | S | * | * | cis | -167.7 | 160.5 | -30.1 | -133.7 | -13.9 | 0 | 0 | 0 | 108.1 | ||||
| 537 | N | 26.4 | Very low | 26.7 | Very low | 135 Ų | 135 | 139.8 Ų | 139.8 | 72% | 0.722 | 73% | 0.731 | S | S | * | * | trans | 60.1 | 169.9 | 167.6 | -70.9 | 5 | 0 | 0 | 0 | 118.8 | ||||
| 538 | E | 26.2 | Very low | 26.5 | Very low | 139 Ų | 139 | 139.8 Ų | 139.8 | 65% | 0.65 | 73% | 0.732 | S | S | * | * | -166.3 | -178.6 | -55.7 | -125.7 | -157.7 | 127.3 | 0 | 0 | 108.2 | K540 | E538-K540 IonicContact OE1-NZ 2.73Å; E538-K540 PolarHBondContact OE1-NZ 2.94Å | |||
| 539 | D | 27.2 | Very low | 26.2 | Very low | 121 Ų | 121 | 138.9 Ų | 138.9 | 65% | 0.647 | 74% | 0.737 | S | S | * | * | trans | 65.3 | 123.9 | 170.4 | -68.7 | -24.3 | 0 | 0 | 0 | 118.6 | ||||
| 540 | K | 27.4 | Very low | 26.1 | Very low | 145 Ų | 145 | 137.4 Ų | 137.4 | 63% | 0.63 | 74% | 0.738 | S | S | * | * | cis | 80.5 | 106.9 | 40.7 | -62.6 | -177.2 | -146.8 | 103 | 0 | 114.4 | E538 | E538-K540 IonicContact OE1-NZ 2.73Å; E538-K540 PolarHBondContact OE1-NZ 2.94Å | ||
| 541 | K | 24.9 | Very low | 26.4 | Very low | 168 Ų | 168 | 134.3 Ų | 134.3 | 73% | 0.73 | 73% | 0.734 | S | S | * | * | -178.5 | 137.1 | 115.4 | -95.4 | 178 | 173.5 | -130.9 | 0 | 108.8 | E543 | K541-E543 IonicContact NZ-OE1 3.7Å; K541-E543 PolarHBondContact NZ-OE1 3.23Å | |||
| 542 | S | 24.6 | Very low | 26.3 | Very low | 92 Ų | 92 | 133.7 Ų | 133.7 | 64% | 0.643 | 73% | 0.734 | S | S | * | * | cis | 79.5 | 95.1 | 14.8 | 90.5 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 543 | E | 23.9 | Very low | 25.7 | Very low | 159 Ų | 159 | 134.7 Ų | 134.7 | 74% | 0.743 | 73% | 0.734 | S | S | * | * | trans | -173.4 | 132.6 | 143.2 | -92.8 | 141.5 | -141.1 | 0 | 0 | 104.4 | K541 | K541-E543 IonicContact NZ-OE1 3.7Å; K541-E543 PolarHBondContact NZ-OE1 3.23Å | ||
| 544 | A | 24.6 | Very low | 25.6 | Very low | 79 Ų | 79 | 133.1 Ų | 133.1 | 65% | 0.653 | 74% | 0.736 | S | S | * | * | cis | 73.4 | 137.6 | 45.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 545 | E | 26.2 | Very low | 25.7 | Very low | 164 Ų | 164 | 136.6 Ų | 136.6 | 77% | 0.766 | 73% | 0.734 | S | S | * | * | cis | -163.3 | 153.2 | 5.6 | -126.7 | 153.3 | -148.7 | 0 | 0 | 110.4 | ||||
| 546 | E | 25.1 | Very low | 25.6 | Very low | 152 Ų | 152 | 141.7 Ų | 141.7 | 71% | 0.71 | 74% | 0.739 | S | S | * | * | trans | 48.9 | 164.3 | 138.3 | -72.7 | -173.9 | 171.7 | 0 | 0 | 123.5 | ||||
| 547 | M | 24.8 | Very low | 25.6 | Very low | 145 Ų | 145 | 141.8 Ų | 141.8 | 71% | 0.714 | 74% | 0.735 | S | S | * | * | cis | -148.5 | -177.7 | -3.8 | -133 | -171.7 | -172.3 | 0 | 0 | 114.1 | ||||
| 548 | E | 25 | Very low | 25.7 | Very low | 158 Ų | 158 | 143.2 Ų | 143.2 | 74% | 0.738 | 74% | 0.735 | S | S | * | * | trans | -76.1 | 177.8 | -171.8 | -49.7 | 171.3 | 121.4 | 0 | 0 | 117 | ||||
| 549 | T | 21.7 | Very low | 25.6 | Very low | 143 Ų | 143 | 146 Ų | 146 | 88% | 0.877 | 75% | 0.745 | S | S | * | * | trans | -150.7 | 147.1 | 130.1 | 21 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 550 | S | 26.3 | Very low | 25.6 | Very low | 103 Ų | 103 | 147.4 Ų | 147.4 | 72% | 0.72 | 75% | 0.752 | S | S | * | * | trans | -148.7 | 158.5 | 171.6 | -64.3 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 551 | P | 34.9 | Very low | 25.8 | Very low | 124 Ų | 124 | 146.8 Ų | 146.8 | 81% | 0.805 | 76% | 0.755 | S | S | * | * | -140.4 | -155 | 84.7 | 27.9 | -2.4 | 0 | 0 | 0 | 111.1 | |||||
| 552 | E | 22.8 | Very low | 26 | Very low | 184 Ų | 184 | 147.1 Ų | 147.1 | 86% | 0.86 | 76% | 0.76 | S | S | * | * | cis | -144.8 | 173.2 | 14.3 | -67.1 | -177.4 | 92.2 | 0 | 0 | 112.6 | ||||
| 553 | D | 24.8 | Very low | 26.4 | Very low | 120 Ų | 120 | 148 Ų | 148 | 64% | 0.642 | 76% | 0.763 | S | S | * | * | trans | -90.1 | 151.8 | 175.5 | -83.4 | -99.7 | 0 | 0 | 0 | 114.2 | K555 | D553-K555 VanDerWaalsContact OD1-CE 3.29Å; D553-K555 WeakPolarHBondContact OD1-CE 3.37Å; D553-K555 IonicContact OD1-NZ 3.75Å | ||
| 554 | V | 25.8 | Very low | 26.9 | Very low | 150 Ų | 150 | 146.6 Ų | 146.6 | 91% | 0.909 | 77% | 0.768 | S | S | * | * | -146.6 | 149.3 | 123.6 | 174.6 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 555 | K | 27.4 | Very low | 27.4 | Very low | 167 Ų | 167 | 151.3 Ų | 151.3 | 73% | 0.726 | 78% | 0.776 | S | S | * | * | trans | -116.7 | 147 | -173 | -64.9 | 162.3 | -178.9 | 151.5 | 0 | 113.5 | D553 | D553-K555 VanDerWaalsContact OD1-CE 3.29Å; D553-K555 WeakPolarHBondContact OD1-CE 3.37Å; D553-K555 IonicContact OD1-NZ 3.75Å | ||
| 556 | E | 23.2 | Very low | 27.8 | Very low | 177 Ų | 177 | 147.7 Ų | 147.7 | 83% | 0.827 | 77% | 0.774 | S | S | * | * | trans | 178.9 | 155.9 | 130.6 | -99.2 | 179.3 | -170.2 | 0 | 0 | 107.9 | ||||
| 557 | E | 24.7 | Very low | 28.5 | Very low | 152 Ų | 152 | 150.6 Ų | 150.6 | 71% | 0.71 | 79% | 0.785 | S | S | * | * | cis | -136.6 | -170.3 | 33.8 | -87.6 | -152.2 | 99.2 | 0 | 0 | 115.9 | ||||
| 558 | K | 27.5 | Very low | 29 | Very low | 166 Ų | 166 | 153 Ų | 153 | 72% | 0.722 | 79% | 0.791 | S | S | * | * | trans | -72.2 | 164.1 | -160.6 | -60.7 | 125.2 | -170.7 | 151.1 | 0 | 118.2 | ||||
| 559 | K | 25.8 | Very low | 29.7 | Very low | 198 Ų | 198 | 149.5 Ų | 149.5 | 86% | 0.861 | 79% | 0.789 | S | S | * | * | trans | -84.4 | 151 | 162.2 | -65.1 | 176.8 | 175.4 | 178.6 | 0 | 112.6 | ||||
| 560 | N | 27.3 | Very low | 30.8 | Very low | 149 Ų | 149 | 152.7 Ų | 152.7 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | trans | -178.9 | 151.7 | 134.2 | -111.4 | 35.6 | 0 | 0 | 0 | 108.5 | ||||
| 561 | D | 31.3 | Very low | 32.3 | Very low | 132 Ų | 132 | 151.7 Ų | 151.7 | 71% | 0.706 | 78% | 0.78 | S | S | * | * | cis | -161.2 | 139.2 | -20.1 | -152.7 | -11.5 | 0 | 0 | 0 | 108 | ||||
| 562 | Q | 29.4 | Very low | 33.8 | Very low | 176 Ų | 176 | 151.7 Ų | 151.7 | 82% | 0.822 | 77% | 0.768 | S | S | * | * | trans | -169.8 | 141.8 | 168.6 | -115.5 | 173.3 | 65.1 | 0 | 0 | 112 | ||||
| 563 | P | 32.3 | Very low | 36.1 | Very low | 109 Ų | 109 | 147 Ų | 147 | 71% | 0.708 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 157.3 | -172.9 | 31.6 | -35.8 | 0 | 0 | 0 | 113.5 | Q565 | P563-Q565 PolarHBondContact O-N 3.38Š|
| 564 | P | 35.1 | Very low | 38.9 | Very low | 130 Ų | 130 | 146.2 Ų | 146.2 | 84% | 0.844 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 125.5 | -177.8 | 27.2 | -34.8 | 0 | 0 | 0 | 111.9 | A566 | P564-A566 PolarHBondContact O-N 2.82Š|
| 565 | Q | 34.1 | Very low | 41.7 | Very low | 178 Ų | 178 | 143 Ų | 143 | 83% | 0.832 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 121.4 | 171.9 | -68.8 | -168.6 | 11.7 | 0 | 0 | 110.4 | P563 | P563-Q565 PolarHBondContact O-N 3.38Š|
| 566 | A | 34 | Very low | 44.6 | Very low | 88 Ų | 88 | 137.6 Ų | 137.6 | 73% | 0.727 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 138.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | P564 K568 | P564-A566 PolarHBondContact O-N 2.82Å; A566-K568 PolarHBondContact O-N 3.08Å |
| 567 | K | 40.1 | Very low | 48 | Very low | 214 Ų | 214 | 135.1 Ų | 135.1 | 93% | 0.93 | 70% | 0.696 | S | S | * | * | trans | -60.1 | 106.5 | 171.3 | -71.2 | -180 | 179.1 | 175.8 | 0 | 108.7 | A569 | K567-A569 PolarHBondContact O-N 2.8Š| ||
| 568 | K | 35.2 | Very low | 51.2 | Low | 195 Ų | 195 | 128.6 Ų | 128.6 | 85% | 0.848 | 67% | 0.666 | S | S | * | * | trans | -59.3 | 131.4 | 178.2 | -69.3 | -179.4 | 178.9 | 175.3 | 0 | 110 | A566 | A566-K568 PolarHBondContact O-N 3.08Š| ||
| 569 | A | 40.7 | Very low | 54.4 | Low | 85 Ų | 85 | 123.3 Ų | 123.3 | 70% | 0.702 | 65% | 0.649 | S | S | * | * | trans | -56.6 | 145.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | K567 V571 | K567-A569 PolarHBondContact O-N 2.8Å; A569-V571 VanDerWaalsContact C-N 3.28Å; A569-V571 PolarHBondContact O-N 3.09Å | ||
| 570 | K | 44.8 | Very low | 57.7 | Low | 210 Ų | 210 | 116.5 Ų | 116.5 | 91% | 0.913 | 62% | 0.622 | S | S | * | * | trans | -73.5 | 81.6 | 174.4 | -78.9 | -174.5 | 175.6 | 178.4 | 0 | 110.2 | K572 | K570-K572 PolarHBondContact O-N 3.1Š| ||
| 571 | V | 57.4 | Low | 60.8 | Low | 81 Ų | 81 | 114.7 Ų | 114.7 | 49% | 0.491 | 61% | 0.608 | S | S | . | * | trans | -53.4 | 120.1 | 173.8 | 176.3 | 0 | 0 | 0 | 0 | 110.3 | V500 A569 T573 | V500-V571 HydrophobicContact CB-CG1 4.37Å; V500-V571 HydrophobicContact CG1-CG1 3.6Å; V500-V571 HydrophobicContact CG2-CG1 4.22Å; A569-V571 VanDerWaalsContact C-N 3.28Å; A569-V571 PolarHBondContact O-N 3.09Å; V571-T573 HydrophobicContact CG1-CG2 4.3Å; V571-T573 PolarHBondContact O-N 3.25Å | ||
| 572 | K | 65.6 | Low | 63.7 | Low | 125 Ų | 125 | 110.6 Ų | 110.6 | 54% | 0.543 | 60% | 0.597 | S | S | . | * | trans | -70.9 | 118.8 | 171.9 | -65.9 | 170.7 | -168.6 | 150.6 | 0 | 109 | I501 D503 K570 | I501-K572 HydrophobicContact CB-CB 4.48Å; I501-K572 WeakPolarHBondContact CB-O 3.39Å; I501-K572 PolarHBondContact N-O 3.26Å; D503-K572 IonicContact OD1-NZ 2.77Å; D503-K572 PolarHBondContact OD1-NZ 3.16Å; K570-K572 PolarHBondContact O-N 3.1Å | ||
| 573 | T | 72.6 | Confident | 66.7 | Low | 84 Ų | 84 | 108.2 Ų | 108.2 | 52% | 0.515 | 58% | 0.584 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -109 | 128.9 | 176.2 | 57.6 | 0 | 0 | 0 | 0 | 110.9 | V498 E499 V500 V571 | V498-T573 HydrophobicContact CG1-CG2 4.13Å; E499-T573 CarbonylContact O-C 3.52Å; E499-T573 VanDerWaalsContact O-CA 3.24Å; E499-T573 WeakPolarHBondContact O-CA 3.48Å; E499-T573 WeakPolarHBondContact O-CB 3.17Å; V500-T573 HydrophobicContact CG2-CG2 4.35Å; V571-T573 HydrophobicContact CG1-CG2 4.3Å; V571-T573 PolarHBondContact O-N 3.25Å |
| 574 | K | 82.3 | Confident | 69.5 | Low | 104 Ų | 104 | 104.7 Ų | 104.7 | 45% | 0.452 | 56% | 0.559 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.2 | 140.8 | 169.7 | 172.2 | 168.2 | 163.9 | -104.7 | 0 | 108.8 | E499 I501 V576 | E499-K574 HydrophobicContact CB-CB 4.26Å; E499-K574 PolarHBondContact N-O 3.38Å; E499-K574 PolarHBondContact O-N 3.39Å; E499-K574 WeakPolarHBondContact OE2-CD 3.24Å; E499-K574 IonicContact OE2-NZ 2.73Å; E499-K574 PolarHBondContact OE2-NZ 3.16Å; I501-K574 HydrophobicContact CD1-CB 4.15Å; I501-K574 HydrophobicContact CG1-CB 4.43Å; K574-V576 HydrophobicContact CG-CG2 4.49Å |
| 575 | T | 85.3 | Confident | 72 | Confident | 83 Ų | 83 | 100 Ų | 100 | 51% | 0.509 | 53% | 0.526 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 136.9 | 171.4 | 10.5 | 0 | 0 | 0 | 0 | 109.6 | A496 L497 V498 | A496-T575 HydrophobicContact CB-CG2 4.04Å; L497-T575 WeakPolarHBondContact O-CA 3.49Å; V498-T575 HydrophobicContact CG2-CG2 4Å |
| 576 | V | 89.1 | Confident | 74.6 | Confident | 53 Ų | 53 | 94.4 Ų | 94.4 | 32% | 0.321 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 117.8 | 174.8 | -179.8 | 0 | 0 | 0 | 0 | 107.2 | A496 L497 E499 K574 | A496-V576 CarbonylContact C-O 3.6Å; A496-V576 VanDerWaalsContact CA-O 3.32Å; A496-V576 WeakPolarHBondContact CA-O 3.26Å; L497-V576 PolarHBondContact N-O 3.46Å; L497-V576 PolarHBondContact O-N 3.48Å; E499-V576 HydrophobicContact CG-CG2 4.35Å; K574-V576 HydrophobicContact CG-CG2 4.49Å |
| 577 | D | 93.2 | Very high | 77.2 | Confident | 125 Ų | 125 | 94 Ų | 94 | 67% | 0.668 | 48% | 0.48 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 142.1 | 177.3 | -66.9 | -48.4 | 0 | 0 | 0 | 110.8 | ||
| 578 | L | 93.1 | Very high | 79.7 | Confident | 15 Ų | 15 | 84.7 Ų | 84.7 | 8% | 0.079 | 44% | 0.441 | C | S | . | . | trans | -113.4 | 135.1 | -173.5 | -59.9 | 178.8 | 0 | 0 | 0 | 110.1 | I464 N466 V467 V478 A495 L497 | I464-L578 HydrophobicContact CG2-CB 4.04Å; I464-L578 HydrophobicContact CG2-CD1 3.67Å; N466-L578 HydrophobicContact CB-CD2 4.4Å; V467-L578 HydrophobicContact CG2-CD1 3.69Å; V478-L578 HydrophobicContact CG1-CD1 3.74Å; V478-L578 HydrophobicContact CG2-CD1 4.28Å; A495-L578 HydrophobicContact CB-CB 4.12Å; A495-L578 PolarHBondContact O-N 2.96Å; L497-L578 HydrophobicContact CB-CD1 4.16Å; L497-L578 HydrophobicContact CB-CD2 4.08Å; L497-L578 HydrophobicContact CB-CG 4.26Å | ||
| 579 | P | 94.5 | Very high | 82.5 | Confident | 56 Ų | 56 | 78.9 Ų | 78.9 | 36% | 0.364 | 42% | 0.423 | S | S | . | . | trans | -61.3 | 142.7 | 172.9 | -18.7 | 31 | 0 | 0 | 0 | 111.3 | Q465 | Q465-P579 HydrophobicContact CB-CB 4.19Å; Q465-P579 PolarHBondContact N-O 2.82Å | ||
| 580 | I | 94.6 | Very high | 84.9 | Confident | 55 Ų | 55 | 79.8 Ų | 79.8 | 28% | 0.282 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 121.4 | 174.6 | -60.2 | 154.2 | 0 | 0 | 0 | 107.5 | F462 L463 V492 A495 | F462-I580 HydrophobicContact CB-CG2 4.32Å; F462-I580 HydrophobicContact CD1-CG2 4.29Å; L463-I580 WeakPolarHBondContact O-CA 3.48Å; V492-I580 HydrophobicContact CB-CD1 4.32Å; V492-I580 HydrophobicContact CB-CG2 4.26Å; V492-I580 HydrophobicContact CG1-CD1 3.63Å; V492-I580 HydrophobicContact CG1-CG1 4.31Å; V492-I580 HydrophobicContact CG1-CG2 4.35Å; A495-I580 HydrophobicContact CB-CD1 3.94Å; A495-I580 HydrophobicContact CB-CG1 3.92Å |
| 581 | E | 93.3 | Very high | 87.3 | Confident | 110 Ų | 110 | 77.4 Ų | 77.4 | 51% | 0.514 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 122.1 | 170.6 | -179.3 | -177.9 | 176.3 | 0 | 0 | 108.3 | F462 L463 Q465 | F462-E581 CarbonylContact C-O 3.58Å; F462-E581 WeakPolarHBondContact CA-O 3.45Å; L463-E581 HydrophobicContact CB-CB 4.33Å; L463-E581 PolarHBondContact N-O 3.47Å; L463-E581 PolarHBondContact O-N 3.12Å; Q465-E581 PolarHBondContact NE2-OE2 3.28Å |
| 582 | G | 91.6 | Very high | 89.1 | Confident | 46 Ų | 46 | 76 Ų | 76 | 47% | 0.474 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 123.7 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 583 | K | 91.6 | Very high | 90.5 | Very high | 126 Ų | 126 | 70.6 Ų | 70.6 | 55% | 0.548 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 96.6 | 178.2 | 177.8 | 178.7 | 158.8 | -138.2 | 0 | 109.4 | G460 E461 | G460-K583 CarbonylContact C-O 3.6Å; G460-K583 VanDerWaalsContact CA-O 3.23Å; G460-K583 WeakPolarHBondContact CA-O 3.49Å; E461-K583 HydrophobicContact CB-CB 4.4Å; E461-K583 PolarHBondContact N-O 3.36Å; E461-K583 PolarHBondContact O-N 3.12Å; E461-K583 IonicContact OE1-NZ 2.75Å; E461-K583 PolarHBondContact OE1-NZ 3.2Å; E461-K583 WeakPolarHBondContact OE2-CD 3.32Å; E461-K583 IonicContact OE2-NZ 2.69Å; E461-K583 PolarHBondContact OE2-NZ 2.72Å |
| 584 | L | 91.6 | Very high | 91.7 | Very high | 36 Ų | 36 | 70.8 Ų | 70.8 | 19% | 0.188 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 150.1 | -175.7 | -71.4 | 153.1 | 0 | 0 | 0 | 111.2 | I459 F462 W586 Q587 | I459-L584 HydrophobicContact CG2-CD2 4.33Å; F462-L584 HydrophobicContact CE1-CD2 4.5Å; F462-L584 HydrophobicContact CZ-CD2 3.9Å; L584-W586 PolarHBondContact O-N 3.09Å; L584-Q587 HydrophobicContact CB-CB 4.31Å; L584-Q587 VanDerWaalsContact CD1-OE1 3.23Å |
| 585 | Q | 86.8 | Confident | 92.4 | Very high | 32 Ų | 32 | 69.2 Ų | 69.2 | 15% | 0.15 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -72.9 | 126 | 176.7 | -62.8 | -64.6 | -66.1 | 0 | 0 | 110.6 | T458 I459 Q587 | T458-Q585 HydrophobicContact CG2-CG 4.32Å; T458-Q585 VanDerWaalsContact O-CG 3.31Å; T458-Q585 WeakPolarHBondContact O-CG 3.44Å; I459-Q585 PolarHBondContact O-N 3.01Å; Q585-Q587 PolarHBondContact O-N 2.93Å; Q585-Q587 VanDerWaalsContact O-N 3.1Å |
| 586 | W | 88.6 | Confident | 93 | Very high | 60 Ų | 60 | 66 Ų | 66 | 23% | 0.227 | 35% | 0.353 | C | S | . | . | S | Bend | trans | 58.6 | 16.1 | 171.3 | -42.7 | 104.8 | 0 | 0 | 0 | 117.4 | A74 A98 Y454 L584 | A74-W586 HydrophobicContact CB-CH2 3.58Å; A74-W586 HydrophobicContact CB-CZ2 3.49Å; A74-W586 VanDerWaalsContact CB-CZ2 3.49Å; A74-W586 HydrophobicContact CB-CZ3 4.36Å; A98-W586 HydrophobicContact CB-CE3 4.35Å; Y454-W586 PolarHBondContact OH-NE1 2.85Å; L584-W586 PolarHBondContact O-N 3.09Å |
| 587 | Q | 89.9 | Confident | 93.5 | Very high | 79 Ų | 79 | 66.2 Ų | 66.2 | 37% | 0.369 | 35% | 0.354 | S | S | . | . | P | Polyproline II helix | trans | -72.5 | 140.1 | 164.6 | -172.9 | 171.4 | 3.9 | 0 | 0 | 109.6 | L584 Q585 | L584-Q587 HydrophobicContact CB-CB 4.31Å; L584-Q587 VanDerWaalsContact CD1-OE1 3.23Å; Q585-Q587 PolarHBondContact O-N 2.93Å; Q585-Q587 VanDerWaalsContact O-N 3.1Å |
| 588 | L | 92.5 | Very high | 93.7 | Very high | 18 Ų | 18 | 65.8 Ų | 65.8 | 9% | 0.094 | 35% | 0.348 | C | S | . | . | P | Polyproline II helix | trans | -69.3 | 138.2 | 176.6 | -65.7 | 179.8 | 0 | 0 | 0 | 111.2 | E115 D158 L593 F596 | E115-L588 HydrophobicContact CB-CD1 4.1Å; E115-L588 HydrophobicContact CG-CD1 3.98Å; E115-L588 HydrophobicContact CG-CG 4.43Å; D158-L588 HydrophobicContact CB-CD1 4.26Å; D158-L588 PolarHBondContact OD2-N 2.89Å; L588-L593 HydrophobicContact CB-CB 4.33Å; L588-L593 HydrophobicContact CD1-CD1 4.26Å; L588-F596 HydrophobicContact CD1-CD2 3.68Å; L588-F596 HydrophobicContact CD1-CE2 3.68Å; L588-F596 HydrophobicContact CD2-CE2 4.16Å |
| 589 | P | 92.8 | Very high | 93.9 | Very high | 74 Ų | 74 | 67.7 Ų | 67.7 | 48% | 0.481 | 36% | 0.358 | S | S | . | . | P | Polyproline II helix | trans | -57.5 | 145 | 164.7 | -22.1 | 33.2 | 0 | 0 | 0 | 111.1 | E591 E592 L593 | P589-E591 PolarHBondContact O-N 3.02Å; P589-E592 HydrophobicContact CB-CB 4.37Å; P589-E592 WeakPolarHBondContact CD-OE2 3.33Å; P589-E592 HydrophobicContact CG-CB 4.5Å; P589-E592 PolarHBondContact O-N 2.92Å; P589-E592 VanDerWaalsContact O-N 3.08Å; P589-L593 PolarHBondContact O-N 3.44Å |
| 590 | V | 92.9 | Very high | 94.1 | Very high | 103 Ų | 103 | 65.2 Ų | 65.2 | 62% | 0.624 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -57.9 | -34.7 | -177.6 | -179.9 | 0 | 0 | 0 | 0 | 112.1 | N594 | V590-N594 WeakPolarHBondContact O-CB 3.4Å; V590-N594 PolarHBondContact O-N 3.41Å; V590-N594 PolarHBondContact O-ND2 3.26Å |
| 591 | E | 94.6 | Very high | 94.2 | Very high | 161 Ų | 161 | 64.4 Ų | 64.4 | 75% | 0.752 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -68.6 | -40.9 | 177.3 | -61.2 | 178.1 | 171.4 | 0 | 0 | 112.6 | P589 T595 | P589-E591 PolarHBondContact O-N 3.02Å; E591-T595 WeakPolarHBondContact O-CB 3.45Å; E591-T595 PolarHBondContact O-N 2.99Å; E591-T595 PolarHBondContact O-OG1 3.07Å |
| 592 | E | 94.6 | Very high | 94.4 | Very high | 51 Ų | 51 | 64.3 Ų | 64.3 | 24% | 0.238 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -69 | -41.9 | 175.6 | -173.9 | 170.2 | -159.4 | 0 | 0 | 110.5 | P589 T595 F596 | P589-E592 HydrophobicContact CB-CB 4.37Å; P589-E592 WeakPolarHBondContact CD-OE2 3.33Å; P589-E592 HydrophobicContact CG-CB 4.5Å; P589-E592 PolarHBondContact O-N 2.92Å; P589-E592 VanDerWaalsContact O-N 3.08Å; E592-T595 WeakPolarHBondContact O-CB 3.34Å; E592-T595 PolarHBondContact O-N 3.47Å; E592-F596 HydrophobicContact CG-CD1 4.4Å; E592-F596 HydrophobicContact CG-CE1 3.76Å; E592-F596 HydrophobicContact CG-CE2 3.96Å; E592-F596 HydrophobicContact CG-CZ 3.51Å; E592-F596 WeakPolarHBondContact O-CD1 3.42Å; E592-F596 WeakPolarHBondContact O-CG 3.37Å; E592-F596 PolarHBondContact O-N 3.1Å; E592-F596 WeakPolarHBondContact OE1-CZ 3.08Å |
| 593 | L | 95.9 | Very high | 94.7 | Very high | 11 Ų | 11 | 62.8 Ų | 62.8 | 6% | 0.058 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61 | -46.6 | 175.1 | -178.4 | 59.7 | 0 | 0 | 0 | 112.2 | D158 Q161 I162 L588 P589 T595 F596 V597 | D158-L593 HydrophobicContact CB-CD1 4.07Å; Q161-L593 HydrophobicContact CB-CD1 4.32Å; Q161-L593 HydrophobicContact CB-CD2 4.33Å; I162-L593 HydrophobicContact CD1-CD1 4.16Å; I162-L593 HydrophobicContact CG1-CD1 3.71Å; L588-L593 HydrophobicContact CB-CB 4.33Å; L588-L593 HydrophobicContact CD1-CD1 4.26Å; P589-L593 PolarHBondContact O-N 3.44Å; L593-T595 VanDerWaalsContact C-N 3.32Å; L593-T595 PolarHBondContact O-N 3.47Å; L593-F596 PolarHBondContact O-N 3.45Å; L593-F596 VanDerWaalsContact O-N 3.12Å; L593-V597 WeakPolarHBondContact O-CG2 3.44Å; L593-V597 PolarHBondContact O-N 2.87Å |
| 594 | N | 97.1 | Very high | 95 | Very high | 89 Ų | 89 | 59.5 Ų | 59.5 | 48% | 0.476 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60.6 | -41.6 | 174.6 | -73 | -19.3 | 0 | 0 | 0 | 111.6 | V590 F596 V597 E598 | V590-N594 WeakPolarHBondContact O-CB 3.4Å; V590-N594 PolarHBondContact O-N 3.41Å; V590-N594 PolarHBondContact O-ND2 3.26Å; N594-F596 VanDerWaalsContact C-N 3.27Å; N594-F596 PolarHBondContact O-N 3.19Å; N594-V597 PolarHBondContact O-N 3.49Å; N594-E598 PolarHBondContact O-N 2.97Å |
| 595 | T | 97.4 | Very high | 95.3 | Very high | 70 Ų | 70 | 62.5 Ų | 62.5 | 43% | 0.429 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -60.6 | -37.6 | 174.6 | -58 | 0 | 0 | 0 | 0 | 111.5 | E591 E592 L593 N599 | E591-T595 WeakPolarHBondContact O-CB 3.45Å; E591-T595 PolarHBondContact O-N 2.99Å; E591-T595 PolarHBondContact O-OG1 3.07Å; E592-T595 WeakPolarHBondContact O-CB 3.34Å; E592-T595 PolarHBondContact O-N 3.47Å; L593-T595 VanDerWaalsContact C-N 3.32Å; L593-T595 PolarHBondContact O-N 3.47Å; T595-N599 WeakPolarHBondContact O-CB 3.37Å; T595-N599 PolarHBondContact O-N 3.41Å; T595-N599 VanDerWaalsContact O-N 3.07Å; T595-N599 PolarHBondContact O-ND2 2.9Å |
| 596 | F | 97.8 | Very high | 95.8 | Very high | 17 Ų | 17 | 63.6 Ų | 63.6 | 8% | 0.075 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -71.4 | -38.4 | 176.4 | -67.1 | -2.3 | 0 | 0 | 0 | 112.5 | M94 Q116 I162 L588 E592 L593 N594 N599 E600 | M94-F596 HydrophobicContact CE-CZ 4.31Å; Q116-F596 HydrophobicContact CG-CB 4.1Å; Q116-F596 HydrophobicContact CG-CD1 4.23Å; Q116-F596 HydrophobicContact CG-CD2 3.46Å; Q116-F596 VanDerWaalsContact CG-CD2 3.46Å; Q116-F596 HydrophobicContact CG-CE2 3.85Å; Q116-F596 HydrophobicContact CG-CG 3.67Å; Q116-F596 HydrophobicContact CG-CZ 4.39Å; Q116-F596 VanDerWaalsContact NE2-CD1 3.3Å; I162-F596 HydrophobicContact CD1-CB 3.8Å; I162-F596 HydrophobicContact CD1-CD2 3.9Å; I162-F596 HydrophobicContact CD1-CG 4.37Å; I162-F596 HydrophobicContact CG1-CB 3.86Å; L588-F596 HydrophobicContact CD1-CD2 3.68Å; L588-F596 HydrophobicContact CD1-CE2 3.68Å; L588-F596 HydrophobicContact CD2-CE2 4.16Å; E592-F596 HydrophobicContact CG-CD1 4.4Å; E592-F596 HydrophobicContact CG-CE1 3.76Å; E592-F596 HydrophobicContact CG-CE2 3.96Å; E592-F596 HydrophobicContact CG-CZ 3.51Å; E592-F596 WeakPolarHBondContact O-CD1 3.42Å; E592-F596 WeakPolarHBondContact O-CG 3.37Å; E592-F596 PolarHBondContact O-N 3.1Å; E592-F596 WeakPolarHBondContact OE1-CZ 3.08Å; L593-F596 PolarHBondContact O-N 3.45Å; L593-F596 VanDerWaalsContact O-N 3.12Å; N594-F596 VanDerWaalsContact C-N 3.27Å; N594-F596 PolarHBondContact O-N 3.19Å; F596-N599 PolarHBondContact O-N 3.11Å; F596-E600 WeakPolarHBondContact O-CB 3.48Å; F596-E600 PolarHBondContact O-N 2.98Å |
| 597 | V | 98.2 | Very high | 96.2 | Very high | 57 Ų | 57 | 62 Ų | 62 | 35% | 0.345 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -58.9 | -47.8 | 171.9 | 173.6 | 0 | 0 | 0 | 0 | 111 | L593 N594 N599 E600 G601 | L593-V597 WeakPolarHBondContact O-CG2 3.44Å; L593-V597 PolarHBondContact O-N 2.87Å; N594-V597 PolarHBondContact O-N 3.49Å; V597-N599 VanDerWaalsContact C-N 3.33Å; V597-N599 PolarHBondContact O-N 3.41Å; V597-E600 PolarHBondContact O-N 3.39Å; V597-G601 PolarHBondContact O-N 3.32Å |
| 598 | E | 98 | Very high | 96.5 | Very high | 115 Ų | 115 | 63.7 Ų | 63.7 | 54% | 0.537 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -61 | -42.1 | 176.7 | -77 | -168.1 | -163.3 | 0 | 0 | 112.6 | N594 G601 K602 | N594-E598 PolarHBondContact O-N 2.97Å; E598-G601 PolarHBondContact O-N 2.64Å; E598-K602 VanDerWaalsContact O-CG 3.29Å; E598-K602 WeakPolarHBondContact O-CG 3.31Å; E598-K602 PolarHBondContact O-N 2.74Å; E598-K602 IonicContact OE2-NZ 3.35Å; E598-K602 PolarHBondContact OE2-NZ 3.11Å |
| 599 | N | 97.4 | Very high | 96.6 | Very high | 56 Ų | 56 | 66.5 Ų | 66.5 | 30% | 0.299 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -71.7 | -34.9 | -177.5 | -68.7 | -18.5 | 0 | 0 | 0 | 111.8 | T595 F596 V597 K602 M603 | T595-N599 WeakPolarHBondContact O-CB 3.37Å; T595-N599 PolarHBondContact O-N 3.41Å; T595-N599 VanDerWaalsContact O-N 3.07Å; T595-N599 PolarHBondContact O-ND2 2.9Å; F596-N599 PolarHBondContact O-N 3.11Å; V597-N599 VanDerWaalsContact C-N 3.33Å; V597-N599 PolarHBondContact O-N 3.41Å; N599-K602 PolarHBondContact O-N 3.14Å; N599-K602 PolarHBondContact OD1-NZ 3.21Å; N599-M603 WeakPolarHBondContact O-CE 3.49Å; N599-M603 WeakPolarHBondContact O-CG 3.36Å; N599-M603 PolarHBondContact O-N 2.67Å |
| 600 | E | 98.3 | Very high | 96.8 | Very high | 3 Ų | 3 | 63.9 Ų | 63.9 | 1% | 0.014 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -59.4 | -46 | 167.2 | 179.2 | 59.4 | -156.5 | 0 | 0 | 111 | R46 T123 I162 F596 V597 K602 M603 I604 | R46-E600 IonicContact CZ-OE1 2.68Å; R46-E600 IonicContact CZ-OE2 2.68Å; R46-E600 VanDerWaalsContact NH1-CD 3.31Å; R46-E600 IonicContact NH1-OE1 3.7Å; R46-E600 PolarHBondContact NH1-OE1 2.82Å; R46-E600 IonicContact NH1-OE2 2.74Å; R46-E600 PolarHBondContact NH1-OE2 3.48Å; R46-E600 IonicContact NH2-OE1 3.54Å; R46-E600 PolarHBondContact NH2-OE1 3.19Å; R46-E600 IonicContact NH2-OE2 3.01Å; T123-E600 WeakPolarHBondContact CB-OE1 3.33Å; T123-E600 PolarHBondContact OG1-OE1 3.12Å; I162-E600 HydrophobicContact CG2-CB 3.75Å; I162-E600 HydrophobicContact CG2-CG 4.04Å; I162-E600 WeakPolarHBondContact O-CG 3.15Å; F596-E600 WeakPolarHBondContact O-CB 3.48Å; F596-E600 PolarHBondContact O-N 2.98Å; V597-E600 PolarHBondContact O-N 3.39Å; E600-K602 VanDerWaalsContact C-N 3.34Å; E600-K602 PolarHBondContact O-N 3.14Å; E600-M603 PolarHBondContact O-N 2.91Å; E600-I604 HydrophobicContact CG-CD1 3.93Å; E600-I604 HydrophobicContact CG-CG1 4.45Å; E600-I604 VanDerWaalsContact O-CG1 3.27Å; E600-I604 WeakPolarHBondContact O-CG1 3.37Å; E600-I604 PolarHBondContact O-N 2.61Å |
| 601 | G | 97.8 | Very high | 96.9 | Very high | 38 Ų | 38 | 64.9 Ų | 64.9 | 39% | 0.392 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -57.9 | -41.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | V597 E598 M605 | V597-G601 PolarHBondContact O-N 3.32Å; E598-G601 PolarHBondContact O-N 2.64Å; G601-M605 PolarHBondContact O-N 3.18Å; G601-M605 VanDerWaalsContact O-N 3.08Å |
| 602 | K | 97.8 | Very high | 96.9 | Very high | 109 Ų | 109 | 60 Ų | 60 | 47% | 0.474 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -63.9 | -44.6 | 175.2 | -66.7 | 159.6 | -155.5 | 161.1 | 0 | 111.3 | E598 N599 E600 M605 Q606 | E598-K602 VanDerWaalsContact O-CG 3.29Å; E598-K602 WeakPolarHBondContact O-CG 3.31Å; E598-K602 PolarHBondContact O-N 2.74Å; E598-K602 IonicContact OE2-NZ 3.35Å; E598-K602 PolarHBondContact OE2-NZ 3.11Å; N599-K602 PolarHBondContact O-N 3.14Å; N599-K602 PolarHBondContact OD1-NZ 3.21Å; E600-K602 VanDerWaalsContact C-N 3.34Å; E600-K602 PolarHBondContact O-N 3.14Å; K602-M605 PolarHBondContact O-N 2.96Å; K602-Q606 PolarHBondContact O-N 3.26Å |
| 603 | M | 98 | Very high | 97 | Very high | 14 Ų | 14 | 59 Ų | 59 | 7% | 0.069 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65.5 | -42.4 | 176.7 | -70 | -177.4 | -69.1 | 0 | 0 | 112.5 | Y105 F112 M120 N599 E600 M605 Q606 D607 | Y105-M603 HydrophobicContact CE1-CG 4.04Å; Y105-M603 HydrophobicContact CE1-SD 4.04Å; F112-M603 HydrophobicContact CE1-CE 4.12Å; F112-M603 HydrophobicContact CE1-SD 3.84Å; F112-M603 HydrophobicContact CZ-SD 4.01Å; M120-M603 HydrophobicContact CE-CE 3.69Å; M120-M603 HydrophobicContact CE-SD 3.99Å; N599-M603 WeakPolarHBondContact O-CE 3.49Å; N599-M603 WeakPolarHBondContact O-CG 3.36Å; N599-M603 PolarHBondContact O-N 2.67Å; E600-M603 PolarHBondContact O-N 2.91Å; M603-M605 VanDerWaalsContact C-N 3.3Å; M603-M605 PolarHBondContact O-N 2.97Å; M603-Q606 PolarHBondContact O-N 3.46Å; M603-D607 PolarHBondContact O-N 3.48Å |
| 604 | I | 97.7 | Very high | 97 | Very high | 57 Ų | 57 | 61 Ų | 61 | 29% | 0.292 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -57.5 | -43.5 | 174 | -68.7 | 167.5 | 0 | 0 | 0 | 111.2 | T123 E600 K608 | T123-I604 HydrophobicContact CG2-CD1 3.63Å; T123-I604 HydrophobicContact CG2-CG1 3.81Å; E600-I604 HydrophobicContact CG-CD1 3.93Å; E600-I604 HydrophobicContact CG-CG1 4.45Å; E600-I604 VanDerWaalsContact O-CG1 3.27Å; E600-I604 WeakPolarHBondContact O-CG1 3.37Å; E600-I604 PolarHBondContact O-N 2.61Å; I604-K608 WeakPolarHBondContact O-CB 3.37Å; I604-K608 PolarHBondContact O-N 3.19Å |
| 605 | M | 97 | Very high | 96.9 | Very high | 98 Ų | 98 | 59.6 Ų | 59.6 | 48% | 0.483 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -66.7 | -40.4 | 178.4 | -172.3 | 62.3 | -177.4 | 0 | 0 | 111.6 | G601 K602 M603 K608 L609 | G601-M605 PolarHBondContact O-N 3.18Å; G601-M605 VanDerWaalsContact O-N 3.08Å; K602-M605 PolarHBondContact O-N 2.96Å; M603-M605 VanDerWaalsContact C-N 3.3Å; M603-M605 PolarHBondContact O-N 2.97Å; M605-K608 PolarHBondContact O-N 3.4Å; M605-L609 HydrophobicContact CE-CD1 4.21Å; M605-L609 HydrophobicContact CE-CD2 4.12Å; M605-L609 HydrophobicContact CE-CG 4.11Å; M605-L609 HydrophobicContact CG-CD1 4.25Å; M605-L609 WeakPolarHBondContact O-CB 3.47Å; M605-L609 VanDerWaalsContact O-CG 3.31Å; M605-L609 WeakPolarHBondContact O-CG 3.43Å; M605-L609 PolarHBondContact O-N 3.09Å |
| 606 | Q | 97 | Very high | 96.9 | Very high | 56 Ų | 56 | 56.7 Ų | 56.7 | 26% | 0.262 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63.9 | -46 | 175.9 | 179.6 | 60.1 | 17.7 | 0 | 0 | 112.1 | R44 M106 K602 M603 K608 L609 E610 | R44-Q606 VanDerWaalsContact O-CG 3.25Å; R44-Q606 WeakPolarHBondContact O-CG 3.36Å; R44-Q606 PolarHBondContact O-NE2 2.93Å; M106-Q606 HydrophobicContact CE-CG 4.25Å; M106-Q606 HydrophobicContact SD-CG 4.13Å; K602-Q606 PolarHBondContact O-N 3.26Å; M603-Q606 PolarHBondContact O-N 3.46Å; Q606-K608 VanDerWaalsContact C-N 3.27Å; Q606-K608 PolarHBondContact O-N 2.78Å; Q606-L609 PolarHBondContact O-N 3.33Å; Q606-E610 PolarHBondContact O-N 3.49Å |
| 607 | D | 97.1 | Very high | 96.9 | Very high | 27 Ų | 27 | 57.1 Ų | 57.1 | 14% | 0.144 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58.6 | -41.1 | 175 | -64.1 | -32 | 0 | 0 | 0 | 111.5 | N45 R46 M603 K611 | N45-D607 WeakPolarHBondContact CB-OD1 3.4Å; R46-D607 WeakPolarHBondContact CG-OD1 3.38Å; R46-D607 VanDerWaalsContact CG-OD2 3.25Å; R46-D607 WeakPolarHBondContact CG-OD2 3.07Å; R46-D607 IonicContact CZ-OD2 3.72Å; R46-D607 PolarHBondContact N-OD1 2.92Å; R46-D607 IonicContact NE-OD2 2.8Å; R46-D607 PolarHBondContact NE-OD2 3.44Å; R46-D607 IonicContact NH2-OD2 2.75Å; R46-D607 PolarHBondContact NH2-OD2 2.95Å; M603-D607 PolarHBondContact O-N 3.48Å; D607-K611 WeakPolarHBondContact O-CB 3.44Å; D607-K611 PolarHBondContact O-N 3.19Å |
| 608 | K | 95.9 | Very high | 96.8 | Very high | 113 Ų | 113 | 58.2 Ų | 58.2 | 49% | 0.491 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -66.3 | -44.3 | 177.1 | 179.5 | -179.1 | 168.3 | -176.5 | 0 | 112 | I604 M605 Q606 K611 E612 | I604-K608 WeakPolarHBondContact O-CB 3.37Å; I604-K608 PolarHBondContact O-N 3.19Å; M605-K608 PolarHBondContact O-N 3.4Å; Q606-K608 VanDerWaalsContact C-N 3.27Å; Q606-K608 PolarHBondContact O-N 2.78Å; K608-K611 PolarHBondContact O-N 2.67Å; K608-E612 WeakPolarHBondContact CE-OE1 3.32Å; K608-E612 HydrophobicContact CG-CG 4.46Å; K608-E612 IonicContact NZ-OE1 2.65Å; K608-E612 WeakPolarHBondContact O-CB 3.39Å; K608-E612 WeakPolarHBondContact O-CG 3.34Å; K608-E612 PolarHBondContact O-N 2.97Å |
| 609 | L | 95.9 | Very high | 96.8 | Very high | 78 Ų | 78 | 56.5 Ų | 56.5 | 41% | 0.408 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63.3 | -44 | 178.7 | -75.2 | 170.3 | 0 | 0 | 0 | 111.7 | M605 Q606 E612 R613 | M605-L609 HydrophobicContact CE-CD1 4.21Å; M605-L609 HydrophobicContact CE-CD2 4.12Å; M605-L609 HydrophobicContact CE-CG 4.11Å; M605-L609 HydrophobicContact CG-CD1 4.25Å; M605-L609 WeakPolarHBondContact O-CB 3.47Å; M605-L609 VanDerWaalsContact O-CG 3.31Å; M605-L609 WeakPolarHBondContact O-CG 3.43Å; M605-L609 PolarHBondContact O-N 3.09Å; Q606-L609 PolarHBondContact O-N 3.33Å; L609-E612 PolarHBondContact O-N 2.92Å; L609-R613 WeakPolarHBondContact O-CB 3.39Å; L609-R613 PolarHBondContact O-N 3.1Å |
| 610 | E | 95.8 | Very high | 96.8 | Very high | 18 Ų | 18 | 53.8 Ų | 53.8 | 8% | 0.084 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -67.2 | -37.2 | 175.9 | -179.6 | 56.5 | -159.1 | 0 | 0 | 111.6 | R44 N45 Q606 R613 N614 | R44-E610 HydrophobicContact CB-CG 4.05Å; R44-E610 IonicContact NH1-OE2 2.7Å; N45-E610 HydrophobicContact CB-CB 4.12Å; N45-E610 HydrophobicContact CB-CG 4.09Å; Q606-E610 PolarHBondContact O-N 3.49Å; E610-R613 PolarHBondContact O-N 2.77Å; E610-R613 IonicContact OE1-CZ 3.65Å; E610-R613 IonicContact OE1-NE 3.35Å; E610-R613 PolarHBondContact OE1-NE 3.2Å; E610-R613 IonicContact OE1-NH2 2.73Å; E610-R613 PolarHBondContact OE1-NH2 2.94Å; E610-R613 IonicContact OE2-CZ 2.67Å; E610-R613 IonicContact OE2-NE 2.78Å; E610-R613 PolarHBondContact OE2-NE 3.49Å; E610-R613 IonicContact OE2-NH2 3.41Å; E610-N614 PolarHBondContact O-N 3.49Å; E610-N614 PolarHBondContact O-ND2 3.21Å; E610-N614 PolarHBondContact OE1-ND2 3.27Å |
| 611 | K | 94.8 | Very high | 96.7 | Very high | 125 Ų | 125 | 56.1 Ų | 56.1 | 54% | 0.543 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61.7 | -50.2 | 171.2 | -163.9 | -163.2 | 179.4 | -93.4 | 0 | 111.3 | D607 K608 R613 N614 D615 | D607-K611 WeakPolarHBondContact O-CB 3.44Å; D607-K611 PolarHBondContact O-N 3.19Å; K608-K611 PolarHBondContact O-N 2.67Å; K611-R613 PolarHBondContact O-N 3.26Å; K611-N614 PolarHBondContact O-N 3.02Å; K611-N614 VanDerWaalsContact O-N 3.14Å; K611-D615 VanDerWaalsContact NZ-CG 3.26Å; K611-D615 IonicContact NZ-OD1 2.67Å; K611-D615 PolarHBondContact NZ-OD1 2.92Å; K611-D615 IonicContact NZ-OD2 2.78Å; K611-D615 PolarHBondContact NZ-OD2 3.28Å; K611-D615 WeakPolarHBondContact O-CB 3.35Å; K611-D615 VanDerWaalsContact O-CG 3.26Å; K611-D615 PolarHBondContact O-N 3.22Å |
| 612 | E | 95.9 | Very high | 96.6 | Very high | 59 Ų | 59 | 60.8 Ų | 60.8 | 28% | 0.276 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -63.7 | -23.9 | 179.9 | -74.9 | -175.2 | -171 | 0 | 0 | 113.2 | K608 L609 A616 K667 | K608-E612 WeakPolarHBondContact CE-OE1 3.32Å; K608-E612 HydrophobicContact CG-CG 4.46Å; K608-E612 IonicContact NZ-OE1 2.65Å; K608-E612 WeakPolarHBondContact O-CB 3.39Å; K608-E612 WeakPolarHBondContact O-CG 3.34Å; K608-E612 PolarHBondContact O-N 2.97Å; L609-E612 PolarHBondContact O-N 2.92Å; E612-A616 VanDerWaalsContact O-CB 3.3Å; E612-A616 WeakPolarHBondContact O-CB 3.44Å; E612-A616 PolarHBondContact O-N 2.97Å; E612-K667 HydrophobicContact CB-CD 4.03Å; E612-K667 IonicContact OE2-NZ 2.81Å; E612-K667 PolarHBondContact OE2-NZ 3.42Å |
| 613 | R | 96.3 | Very high | 96.6 | Very high | 28 Ų | 28 | 56.2 Ų | 56.2 | 11% | 0.106 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -72.2 | -47.9 | 171.1 | -169.7 | -169.3 | 75.3 | 75.7 | 7.8 | 111.5 | L609 E610 K611 A616 K617 D664 Q665 K667 Y670 | L609-R613 WeakPolarHBondContact O-CB 3.39Å; L609-R613 PolarHBondContact O-N 3.1Å; E610-R613 PolarHBondContact O-N 2.77Å; E610-R613 IonicContact OE1-CZ 3.65Å; E610-R613 IonicContact OE1-NE 3.35Å; E610-R613 PolarHBondContact OE1-NE 3.2Å; E610-R613 IonicContact OE1-NH2 2.73Å; E610-R613 PolarHBondContact OE1-NH2 2.94Å; E610-R613 IonicContact OE2-CZ 2.67Å; E610-R613 IonicContact OE2-NE 2.78Å; E610-R613 PolarHBondContact OE2-NE 3.49Å; E610-R613 IonicContact OE2-NH2 3.41Å; K611-R613 PolarHBondContact O-N 3.26Å; R613-A616 WeakPolarHBondContact O-CB 3.45Å; R613-A616 PolarHBondContact O-N 2.98Å; R613-K617 PolarHBondContact O-N 2.89Å; R613-D664 IonicContact CZ-OD1 3.49Å; R613-D664 IonicContact NH1-OD1 2.86Å; R613-Q665 WeakPolarHBondContact CD-O 3.45Å; R613-Q665 PolarHBondContact NH1-O 3.04Å; R613-K667 HydrophobicContact CB-CB 4.33Å; R613-K667 HydrophobicContact CG-CB 4.33Å; R613-Y670 HydrophobicContact CG-CE2 4.27Å |
| 614 | N | 95.4 | Very high | 96.5 | Very high | 55 Ų | 55 | 55.6 Ų | 55.6 | 29% | 0.294 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -69 | -43.3 | 178.1 | -68.4 | -59.4 | 0 | 0 | 0 | 111.8 | E610 K611 A616 K617 N618 | E610-N614 PolarHBondContact O-N 3.49Å; E610-N614 PolarHBondContact O-ND2 3.21Å; E610-N614 PolarHBondContact OE1-ND2 3.27Å; K611-N614 PolarHBondContact O-N 3.02Å; K611-N614 VanDerWaalsContact O-N 3.14Å; N614-A616 PolarHBondContact O-N 2.85Å; N614-K617 WeakPolarHBondContact O-CB 3.31Å; N614-K617 PolarHBondContact O-N 3.24Å; N614-K617 VanDerWaalsContact O-N 3.08Å; N614-N618 PolarHBondContact O-N 3.44Å; N614-N618 PolarHBondContact O-OD1 3.18Å; N614-N618 VanDerWaalsContact O-OD1 3.05Å |
| 615 | D | 96.1 | Very high | 96.3 | Very high | 58 Ų | 58 | 57.4 Ų | 57.4 | 31% | 0.31 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -53 | -42.7 | 170.9 | -69 | -19.4 | 0 | 0 | 0 | 109.9 | K611 N618 N619 | K611-D615 VanDerWaalsContact NZ-CG 3.26Å; K611-D615 IonicContact NZ-OD1 2.67Å; K611-D615 PolarHBondContact NZ-OD1 2.92Å; K611-D615 IonicContact NZ-OD2 2.78Å; K611-D615 PolarHBondContact NZ-OD2 3.28Å; K611-D615 WeakPolarHBondContact O-CB 3.35Å; K611-D615 VanDerWaalsContact O-CG 3.26Å; K611-D615 PolarHBondContact O-N 3.22Å; D615-N618 PolarHBondContact O-N 2.85Å; D615-N619 PolarHBondContact O-N 3.3Å; D615-N619 PolarHBondContact O-ND2 3.24Å |
| 616 | A | 97.3 | Very high | 96.2 | Very high | 9 Ų | 9 | 57 Ų | 57 | 7% | 0.074 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -67.3 | -37.9 | 177 | 0 | 0 | 0 | 0 | 0 | 113.7 | E612 R613 N614 K667 Y670 I671 | E612-A616 VanDerWaalsContact O-CB 3.3Å; E612-A616 WeakPolarHBondContact O-CB 3.44Å; E612-A616 PolarHBondContact O-N 2.97Å; R613-A616 WeakPolarHBondContact O-CB 3.45Å; R613-A616 PolarHBondContact O-N 2.98Å; N614-A616 PolarHBondContact O-N 2.85Å; A616-K667 HydrophobicContact CB-CG 3.94Å; A616-Y670 HydrophobicContact CB-CD2 4.46Å; A616-I671 HydrophobicContact CB-CG1 4.48Å |
| 617 | K | 97 | Very high | 96.1 | Very high | 26 Ų | 26 | 54.4 Ų | 54.4 | 11% | 0.113 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.1 | -50.8 | 172.2 | -173.1 | -179.7 | -178 | 178.5 | 0 | 111 | R613 N614 N619 V620 E621 L658 E663 Y670 | R613-K617 PolarHBondContact O-N 2.89Å; N614-K617 WeakPolarHBondContact O-CB 3.31Å; N614-K617 PolarHBondContact O-N 3.24Å; N614-K617 VanDerWaalsContact O-N 3.08Å; K617-N619 VanDerWaalsContact C-N 3.26Å; K617-N619 PolarHBondContact O-N 2.87Å; K617-V620 WeakPolarHBondContact O-CB 3.48Å; K617-V620 PolarHBondContact O-N 3.16Å; K617-E621 PolarHBondContact O-N 3.4Å; K617-L658 WeakPolarHBondContact CE-O 3.21Å; K617-L658 HydrophobicContact CG-CD2 3.85Å; K617-L658 PolarHBondContact NZ-O 2.76Å; K617-E663 PolarHBondContact NZ-O 3.21Å; K617-Y670 HydrophobicContact CB-CD1 4.19Å; K617-Y670 HydrophobicContact CB-CD2 3.99Å; K617-Y670 HydrophobicContact CB-CE1 4.03Å; K617-Y670 HydrophobicContact CB-CE2 3.81Å; K617-Y670 HydrophobicContact CB-CG 4.18Å; K617-Y670 HydrophobicContact CD-CE1 4.25Å; K617-Y670 HydrophobicContact CG-CD1 4.2Å; K617-Y670 HydrophobicContact CG-CE1 3.74Å; K617-Y670 HydrophobicContact CG-CE2 4.31Å |
| 618 | N | 96.4 | Very high | 95.9 | Very high | 81 Ų | 81 | 57 Ų | 57 | 43% | 0.433 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -59.5 | -36.9 | -178.9 | -61.8 | 6.8 | 0 | 0 | 0 | 111.8 | N614 D615 V620 E621 E622 | N614-N618 PolarHBondContact O-N 3.44Å; N614-N618 PolarHBondContact O-OD1 3.18Å; N614-N618 VanDerWaalsContact O-OD1 3.05Å; D615-N618 PolarHBondContact O-N 2.85Å; N618-V620 PolarHBondContact O-N 3.14Å; N618-E621 PolarHBondContact O-N 3.42Å; N618-E622 WeakPolarHBondContact O-CB 3.43Å; N618-E622 PolarHBondContact O-N 2.7Å |
| 619 | N | 97.3 | Very high | 95.7 | Very high | 78 Ų | 78 | 57.6 Ų | 57.6 | 42% | 0.417 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -64.1 | -22.4 | 174.5 | -78.6 | -67 | 0 | 0 | 0 | 113.9 | D615 K617 Y623 L674 | D615-N619 PolarHBondContact O-N 3.3Å; D615-N619 PolarHBondContact O-ND2 3.24Å; K617-N619 VanDerWaalsContact C-N 3.26Å; K617-N619 PolarHBondContact O-N 2.87Å; N619-Y623 WeakPolarHBondContact O-CB 3.4Å; N619-L674 HydrophobicContact CB-CD2 3.92Å; N619-L674 WeakPolarHBondContact O-CD1 3.31Å |
| 620 | V | 97.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -79.4 | -48.4 | 171 | -172.4 | 0 | 0 | 0 | 0 | 109.7 | K617 N618 Y623 V624 T654 L658 Y670 L674 L677 | K617-V620 WeakPolarHBondContact O-CB 3.48Å; K617-V620 PolarHBondContact O-N 3.16Å; N618-V620 PolarHBondContact O-N 3.14Å; V620-Y623 PolarHBondContact O-N 3.4Å; V620-V624 HydrophobicContact CG1-CG2 4.32Å; V620-V624 WeakPolarHBondContact O-CB 3.39Å; V620-V624 VanDerWaalsContact O-CG2 3.31Å; V620-V624 WeakPolarHBondContact O-CG2 3.47Å; V620-V624 PolarHBondContact O-N 3.02Å; V620-T654 HydrophobicContact CG1-CG2 3.9Å; V620-L658 HydrophobicContact CB-CD1 4.3Å; V620-L658 HydrophobicContact CB-CD2 4.3Å; V620-L658 HydrophobicContact CG1-CD1 4.02Å; V620-L658 HydrophobicContact CG1-CD2 4.37Å; V620-Y670 HydrophobicContact CG2-CD1 4.39Å; V620-Y670 VanDerWaalsContact CG2-O 3.28Å; V620-Y670 WeakPolarHBondContact CG2-O 3.43Å; V620-L674 HydrophobicContact CG2-CB 4.21Å; V620-L677 HydrophobicContact CG1-CD1 4.35Å |
| 621 | E | 96.1 | Very high | 95.4 | Very high | 52 Ų | 52 | 54.9 Ų | 54.9 | 24% | 0.243 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58.6 | -48.6 | -179.5 | -169.4 | 170.6 | -157.7 | 0 | 0 | 111.9 | K617 N618 Y623 V624 Y625 L658 Y659 | K617-E621 PolarHBondContact O-N 3.4Å; N618-E621 PolarHBondContact O-N 3.42Å; E621-Y623 PolarHBondContact O-N 2.8Å; E621-V624 PolarHBondContact O-N 3.26Å; E621-Y625 HydrophobicContact CG-CD2 4.08Å; E621-Y625 HydrophobicContact CG-CE2 3.73Å; E621-Y625 VanDerWaalsContact O-CD2 3.23Å; E621-Y625 WeakPolarHBondContact O-CD2 3.37Å; E621-Y625 PolarHBondContact O-N 2.99Å; E621-L658 HydrophobicContact CB-CD1 4.01Å; E621-Y659 PolarHBondContact OE1-OH 3.45Å |
| 622 | E | 97 | Very high | 95 | Very high | 135 Ų | 135 | 53.9 Ų | 53.9 | 63% | 0.631 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -59 | -45.9 | 175 | -176.9 | 176 | -161.2 | 0 | 0 | 111.9 | N618 V624 Y625 E626 | N618-E622 WeakPolarHBondContact O-CB 3.43Å; N618-E622 PolarHBondContact O-N 2.7Å; E622-V624 VanDerWaalsContact C-N 3.34Å; E622-V624 PolarHBondContact O-N 3.36Å; E622-Y625 PolarHBondContact O-N 3.02Å; E622-E626 VanDerWaalsContact O-CB 3.23Å; E622-E626 WeakPolarHBondContact O-CB 3.34Å; E622-E626 PolarHBondContact O-N 3.1Å |
| 623 | Y | 97.3 | Very high | 94.8 | Very high | 14 Ų | 14 | 53 Ų | 53 | 6% | 0.055 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -68 | -33.2 | 179.2 | -172.4 | -105.9 | 0 | 0 | 0 | 112.8 | N619 V620 E621 M627 L674 L677 K678 | N619-Y623 WeakPolarHBondContact O-CB 3.4Å; V620-Y623 PolarHBondContact O-N 3.4Å; E621-Y623 PolarHBondContact O-N 2.8Å; Y623-M627 HydrophobicContact CD1-CG 4.15Å; Y623-M627 HydrophobicContact CD2-CG 3.96Å; Y623-M627 HydrophobicContact CE1-CG 3.71Å; Y623-M627 HydrophobicContact CE2-CG 3.49Å; Y623-M627 VanDerWaalsContact CE2-CG 3.49Å; Y623-M627 HydrophobicContact CE2-SD 3.81Å; Y623-M627 HydrophobicContact CG-CG 4.26Å; Y623-M627 VanDerWaalsContact O-CB 3.31Å; Y623-M627 WeakPolarHBondContact O-CB 3.29Å; Y623-M627 VanDerWaalsContact O-CG 3.29Å; Y623-M627 WeakPolarHBondContact O-CG 3.48Å; Y623-M627 PolarHBondContact O-N 2.82Å; Y623-L674 HydrophobicContact CD1-CD1 3.73Å; Y623-L674 HydrophobicContact CD2-CD1 4.49Å; Y623-L674 HydrophobicContact CG-CD1 3.66Å; Y623-L677 HydrophobicContact CD1-CB 3.96Å; Y623-L677 HydrophobicContact CD1-CD1 4.22Å; Y623-L677 HydrophobicContact CE1-CB 3.7Å; Y623-K678 HydrophobicContact CD1-CG 4.28Å; Y623-K678 HydrophobicContact CD2-CG 4.42Å; Y623-K678 HydrophobicContact CE1-CG 3.67Å; Y623-K678 HydrophobicContact CE2-CD 4.38Å; Y623-K678 HydrophobicContact CE2-CG 3.83Å; Y623-K678 VanDerWaalsContact CZ-CG 3.43Å |
| 624 | V | 96.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.6 | -50 | 174.9 | 164.9 | 0 | 0 | 0 | 0 | 110.3 | V620 E621 E622 R628 L651 T654 E655 L677 | V620-V624 HydrophobicContact CG1-CG2 4.32Å; V620-V624 WeakPolarHBondContact O-CB 3.39Å; V620-V624 VanDerWaalsContact O-CG2 3.31Å; V620-V624 WeakPolarHBondContact O-CG2 3.47Å; V620-V624 PolarHBondContact O-N 3.02Å; E621-V624 PolarHBondContact O-N 3.26Å; E622-V624 VanDerWaalsContact C-N 3.34Å; E622-V624 PolarHBondContact O-N 3.36Å; V624-R628 WeakPolarHBondContact O-CB 3.09Å; V624-R628 PolarHBondContact O-N 3.49Å; V624-L651 HydrophobicContact CG1-CB 4.42Å; V624-L651 HydrophobicContact CG2-CD2 4.13Å; V624-T654 HydrophobicContact CG2-CG2 4.19Å; V624-E655 HydrophobicContact CG1-CB 4Å; V624-E655 HydrophobicContact CG1-CG 4.5Å; V624-L677 HydrophobicContact CG2-CD1 3.67Å |
| 625 | Y | 93.9 | Very high | 94.3 | Very high | 95 Ų | 95 | 51.6 Ų | 51.6 | 37% | 0.373 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -66 | -44.6 | 177.4 | -71.8 | -55.1 | 0 | 0 | 0 | 112.9 | E621 E622 M627 R628 D629 E655 Y659 | E621-Y625 HydrophobicContact CG-CD2 4.08Å; E621-Y625 HydrophobicContact CG-CE2 3.73Å; E621-Y625 VanDerWaalsContact O-CD2 3.23Å; E621-Y625 WeakPolarHBondContact O-CD2 3.37Å; E621-Y625 PolarHBondContact O-N 2.99Å; E622-Y625 PolarHBondContact O-N 3.02Å; Y625-M627 PolarHBondContact O-N 3.14Å; Y625-R628 PolarHBondContact O-N 2.87Å; Y625-D629 PolarHBondContact O-N 2.9Å; Y625-D629 VanDerWaalsContact O-N 3.11Å; Y625-E655 HydrophobicContact CE1-CG 4.48Å; Y625-E655 WeakPolarHBondContact CE1-OE1 3.32Å; Y625-E655 PolarHBondContact OH-OE1 2.67Å; Y625-Y659 PolarHBondContact OH-OH 2.81Å |
| 626 | E | 95 | Very high | 94.1 | Very high | 89 Ų | 89 | 53.1 Ų | 53.1 | 42% | 0.416 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -58.8 | -47.2 | 178.2 | -173.7 | -167.5 | -162.7 | 0 | 0 | 111.7 | E622 K630 | E622-E626 VanDerWaalsContact O-CB 3.23Å; E622-E626 WeakPolarHBondContact O-CB 3.34Å; E622-E626 PolarHBondContact O-N 3.1Å; E626-K630 VanDerWaalsContact CD-NZ 3.31Å; E626-K630 HydrophobicContact CG-CD 4.11Å; E626-K630 WeakPolarHBondContact O-CB 3.32Å; E626-K630 VanDerWaalsContact O-CG 3.26Å; E626-K630 WeakPolarHBondContact O-CG 3.28Å; E626-K630 PolarHBondContact O-N 3.44Å; E626-K630 VanDerWaalsContact O-N 3.12Å; E626-K630 WeakPolarHBondContact OE1-CE 3.36Å; E626-K630 IonicContact OE1-NZ 2.82Å; E626-K630 PolarHBondContact OE1-NZ 2.85Å |
| 627 | M | 94.4 | Very high | 93.8 | Very high | 2 Ų | 2 | 59.5 Ų | 59.5 | 1% | 0.01 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -72.8 | -35.1 | -179.4 | -68.6 | -58.1 | -60.4 | 0 | 0 | 112.4 | Y623 Y625 K630 L631 L635 F647 L651 | Y623-M627 HydrophobicContact CD1-CG 4.15Å; Y623-M627 HydrophobicContact CD2-CG 3.96Å; Y623-M627 HydrophobicContact CE1-CG 3.71Å; Y623-M627 HydrophobicContact CE2-CG 3.49Å; Y623-M627 VanDerWaalsContact CE2-CG 3.49Å; Y623-M627 HydrophobicContact CE2-SD 3.81Å; Y623-M627 HydrophobicContact CG-CG 4.26Å; Y623-M627 VanDerWaalsContact O-CB 3.31Å; Y623-M627 WeakPolarHBondContact O-CB 3.29Å; Y623-M627 VanDerWaalsContact O-CG 3.29Å; Y623-M627 WeakPolarHBondContact O-CG 3.48Å; Y623-M627 PolarHBondContact O-N 2.82Å; Y625-M627 PolarHBondContact O-N 3.14Å; M627-K630 PolarHBondContact O-N 3.27Å; M627-L631 WeakPolarHBondContact O-CB 3.44Å; M627-L631 WeakPolarHBondContact O-CD1 3.49Å; M627-L631 WeakPolarHBondContact O-CG 3.49Å; M627-L631 PolarHBondContact O-N 3.31Å; M627-L635 HydrophobicContact CE-CD1 3.59Å; M627-L635 HydrophobicContact SD-CD1 4.33Å; M627-F647 HydrophobicContact CE-CE1 3.94Å; M627-L651 HydrophobicContact CB-CD1 3.88Å; M627-L651 HydrophobicContact CB-CD2 4.42Å |
| 628 | R | 92.3 | Very high | 93.5 | Very high | 83 Ų | 83 | 59 Ų | 59 | 31% | 0.313 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64.2 | -40.6 | 178.7 | -173.4 | 176.4 | -175.2 | -158.9 | -2.3 | 112.1 | V624 Y625 N632 E652 E655 | V624-R628 WeakPolarHBondContact O-CB 3.09Å; V624-R628 PolarHBondContact O-N 3.49Å; Y625-R628 PolarHBondContact O-N 2.87Å; R628-N632 PolarHBondContact O-ND2 3.11Å; R628-E652 IonicContact CZ-OE1 3.43Å; R628-E652 IonicContact NE-OE1 3.38Å; R628-E652 PolarHBondContact NE-OE1 2.86Å; R628-E652 IonicContact NH2-OE1 2.83Å; R628-E652 PolarHBondContact NH2-OE1 3.17Å; R628-E655 IonicContact CZ-OE2 3.68Å; R628-E655 IonicContact NH1-OE1 2.64Å; R628-E655 IonicContact NH1-OE2 2.67Å; R628-E655 PolarHBondContact NH1-OE2 3.4Å |
| 629 | D | 92.9 | Very high | 93.3 | Very high | 125 Ų | 125 | 55.7 Ų | 55.7 | 67% | 0.668 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -64.5 | -56 | 170.8 | 178.3 | 74.4 | 0 | 0 | 0 | 110.8 | Y625 L631 N632 G633 | Y625-D629 PolarHBondContact O-N 2.9Å; Y625-D629 VanDerWaalsContact O-N 3.11Å; D629-L631 VanDerWaalsContact C-N 3.34Å; D629-L631 PolarHBondContact O-N 3.26Å; D629-N632 CarbonylContact O-C 3.6Å; D629-N632 PolarHBondContact O-N 3.16Å; D629-G633 PolarHBondContact O-N 3.45Å |
| 630 | K | 94.1 | Very high | 93 | Very high | 38 Ų | 38 | 54.9 Ų | 54.9 | 17% | 0.165 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -56.2 | -40.4 | -176.6 | -77.8 | -178 | -175.8 | 176.6 | 0 | 114 | E626 M627 N632 G633 S634 L635 H685 | E626-K630 VanDerWaalsContact CD-NZ 3.31Å; E626-K630 HydrophobicContact CG-CD 4.11Å; E626-K630 WeakPolarHBondContact O-CB 3.32Å; E626-K630 VanDerWaalsContact O-CG 3.26Å; E626-K630 WeakPolarHBondContact O-CG 3.28Å; E626-K630 PolarHBondContact O-N 3.44Å; E626-K630 VanDerWaalsContact O-N 3.12Å; E626-K630 WeakPolarHBondContact OE1-CE 3.36Å; E626-K630 IonicContact OE1-NZ 2.82Å; E626-K630 PolarHBondContact OE1-NZ 2.85Å; M627-K630 PolarHBondContact O-N 3.27Å; K630-N632 PolarHBondContact O-N 3.47Å; K630-G633 CarbonylContact O-C 3.58Å; K630-G633 PolarHBondContact O-N 3.29Å; K630-S634 PolarHBondContact O-N 2.75Å; K630-L635 HydrophobicContact CB-CB 4.49Å; K630-L635 HydrophobicContact CB-CD1 3.74Å; K630-L635 HydrophobicContact CB-CG 3.89Å; K630-L635 HydrophobicContact CD-CD1 4.21Å; K630-L635 WeakPolarHBondContact O-CB 3.4Å; K630-L635 PolarHBondContact O-N 2.99Å; K630-H685 PolarHBondContact NZ-NE2 2.96Å |
| 631 | L | 91.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.4 | -25.8 | 179.2 | -74.8 | 165.7 | 0 | 0 | 0 | 113.7 | M627 D629 E636 V639 F647 L651 I684 | M627-L631 WeakPolarHBondContact O-CB 3.44Å; M627-L631 WeakPolarHBondContact O-CD1 3.49Å; M627-L631 WeakPolarHBondContact O-CG 3.49Å; M627-L631 PolarHBondContact O-N 3.31Å; D629-L631 VanDerWaalsContact C-N 3.34Å; D629-L631 PolarHBondContact O-N 3.26Å; L631-E636 WeakPolarHBondContact O-CA 3.32Å; L631-V639 HydrophobicContact CD2-CG1 4.12Å; L631-F647 HydrophobicContact CD1-CD1 3.54Å; L631-F647 HydrophobicContact CD1-CE1 3.85Å; L631-F647 HydrophobicContact CD1-CG 4.35Å; L631-F647 HydrophobicContact CD2-CD1 4.09Å; L631-F647 HydrophobicContact CD2-CE1 4.5Å; L631-F647 HydrophobicContact CG-CD1 4.4Å; L631-L651 HydrophobicContact CD1-CD1 3.52Å; L631-I684 HydrophobicContact CD2-CD1 4.1Å |
| 632 | N | 86.3 | Confident | 92.4 | Very high | 105 Ų | 105 | 62 Ų | 62 | 56% | 0.561 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.8 | 5.7 | 175.5 | -64.6 | -70.4 | 0 | 0 | 0 | 112.4 | R628 D629 K630 | R628-N632 PolarHBondContact O-ND2 3.11Å; D629-N632 CarbonylContact O-C 3.6Å; D629-N632 PolarHBondContact O-N 3.16Å; K630-N632 PolarHBondContact O-N 3.47Å |
| 633 | G | 90.1 | Very high | 92.1 | Very high | 41 Ų | 41 | 60.1 Ų | 60.1 | 42% | 0.423 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -136.2 | -109 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | D629 K630 L635 E636 | D629-G633 PolarHBondContact O-N 3.45Å; K630-G633 CarbonylContact O-C 3.58Å; K630-G633 PolarHBondContact O-N 3.29Å; G633-L635 VanDerWaalsContact C-N 3.31Å; G633-L635 PolarHBondContact O-N 3.09Å; G633-E636 WeakPolarHBondContact O-CB 3.07Å; G633-E636 PolarHBondContact O-N 3.3Å |
| 634 | S | 90.7 | Very high | 91.9 | Very high | 52 Ų | 52 | 61.3 Ų | 61.3 | 36% | 0.364 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -31.9 | -171.7 | 53.4 | 0 | 0 | 0 | 0 | 114.7 | K630 F638 | K630-S634 PolarHBondContact O-N 2.75Å; S634-F638 WeakPolarHBondContact O-CE2 3.14Å |
| 635 | L | 92 | Very high | 91.7 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | -8.4 | -179.2 | -61.7 | -177.1 | 0 | 0 | 0 | 114.1 | M627 K630 G633 K637 F638 I684 H685 Y688 | M627-L635 HydrophobicContact CE-CD1 3.59Å; M627-L635 HydrophobicContact SD-CD1 4.33Å; K630-L635 HydrophobicContact CB-CB 4.49Å; K630-L635 HydrophobicContact CB-CD1 3.74Å; K630-L635 HydrophobicContact CB-CG 3.89Å; K630-L635 HydrophobicContact CD-CD1 4.21Å; K630-L635 WeakPolarHBondContact O-CB 3.4Å; K630-L635 PolarHBondContact O-N 2.99Å; G633-L635 VanDerWaalsContact C-N 3.31Å; G633-L635 PolarHBondContact O-N 3.09Å; L635-K637 PolarHBondContact O-N 2.88Å; L635-F638 PolarHBondContact O-N 3.2Å; L635-I684 HydrophobicContact CB-CG2 4Å; L635-I684 HydrophobicContact CD1-CG2 4.24Å; L635-I684 HydrophobicContact CG-CG2 4.48Å; L635-H685 HydrophobicContact CD1-CB 4.48Å; L635-Y688 HydrophobicContact CD2-CD1 3.7Å; L635-Y688 HydrophobicContact CD2-CG 3.6Å |
| 636 | E | 90.8 | Very high | 91.7 | Very high | 90 Ų | 90 | 63.5 Ų | 63.5 | 42% | 0.421 | 34% | 0.343 | S | S | . | . | G | 310 helix | trans | -52.5 | -39.4 | -171.8 | -163.4 | -158 | -171.6 | 0 | 0 | 112.6 | L631 G633 F638 R644 | L631-E636 WeakPolarHBondContact O-CA 3.32Å; G633-E636 WeakPolarHBondContact O-CB 3.07Å; G633-E636 PolarHBondContact O-N 3.3Å; E636-F638 VanDerWaalsContact C-N 3.29Å; E636-F638 PolarHBondContact O-N 3.21Å; E636-R644 IonicContact OE1-NH1 2.77Å; E636-R644 PolarHBondContact OE1-NH1 3.16Å |
| 637 | K | 90.8 | Very high | 91.8 | Very high | 143 Ų | 143 | 59.4 Ų | 59.4 | 62% | 0.622 | 32% | 0.324 | S | S | * | . | G | 310 helix | trans | -77.8 | -9.7 | -176.3 | -61.2 | 171.3 | -173.5 | 168 | 0 | 114.1 | L635 L756 | L635-K637 PolarHBondContact O-N 2.88Å; K637-L756 HydrophobicContact CB-CD1 4.22Å; K637-L756 VanDerWaalsContact O-CB 3.27Å; K637-L756 WeakPolarHBondContact O-CB 3.22Å |
| 638 | F | 92 | Very high | 91.8 | Very high | 15 Ų | 15 | 60.1 Ų | 60.1 | 7% | 0.066 | 33% | 0.33 | C | S | . | . | G | 310 helix | trans | -107.4 | 3.9 | -171.1 | -59 | -80 | 0 | 0 | 0 | 113.4 | S634 L635 E636 I684 K687 Y688 A691 L756 | S634-F638 WeakPolarHBondContact O-CE2 3.14Å; L635-F638 PolarHBondContact O-N 3.2Å; E636-F638 VanDerWaalsContact C-N 3.29Å; E636-F638 PolarHBondContact O-N 3.21Å; F638-I684 HydrophobicContact CB-CG2 4.18Å; F638-K687 HydrophobicContact CB-CB 4.23Å; F638-K687 HydrophobicContact CD1-CB 4.19Å; F638-Y688 HydrophobicContact CD2-CD2 4.16Å; F638-Y688 HydrophobicContact CD2-CG 4.43Å; F638-Y688 AromaticContact CE2-CD2 3.61Å; F638-Y688 HydrophobicContact CE2-CD2 3.61Å; F638-Y688 HydrophobicContact CE2-CG 4.3Å; F638-Y688 HydrophobicContact CZ-CD2 4.02Å; F638-A691 HydrophobicContact CD1-CB 4.42Å; F638-A691 HydrophobicContact CE1-CB 3.4Å; F638-A691 HydrophobicContact CZ-CB 3.85Å; F638-L756 HydrophobicContact CD1-CB 3.95Å; F638-L756 HydrophobicContact CE1-CB 3.99Å; F638-L756 HydrophobicContact CE1-CD1 4.08Å; F638-L756 HydrophobicContact CE1-CD2 4.12Å; F638-L756 HydrophobicContact CE1-CG 4.28Å; F638-L756 HydrophobicContact CZ-CD1 4.28Å |
| 639 | V | 91.7 | Very high | 91.9 | Very high | 12 Ų | 12 | 60.9 Ų | 60.9 | 7% | 0.073 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -134.4 | 145.3 | 174.7 | 59.2 | 0 | 0 | 0 | 0 | 108.7 | L631 D643 R644 I684 T757 | L631-V639 HydrophobicContact CD2-CG1 4.12Å; V639-D643 HydrophobicContact CG2-CB 3.73Å; V639-R644 HydrophobicContact CB-CB 4.5Å; V639-R644 HydrophobicContact CG1-CB 3.75Å; V639-R644 HydrophobicContact CG1-CG 3.99Å; V639-R644 HydrophobicContact CG2-CB 3.99Å; V639-I684 HydrophobicContact CB-CD1 3.94Å; V639-I684 HydrophobicContact CB-CG1 4.12Å; V639-I684 HydrophobicContact CB-CG2 3.94Å; V639-I684 HydrophobicContact CG1-CG2 4.28Å; V639-I684 HydrophobicContact CG2-CD1 3.74Å; V639-I684 HydrophobicContact CG2-CG1 4.25Å; V639-T757 WeakPolarHBondContact O-CG2 3.48Å |
| 640 | N | 91.4 | Very high | 92.1 | Very high | 61 Ų | 61 | 57.5 Ų | 57.5 | 33% | 0.326 | 32% | 0.319 | S | S | . | . | trans | -79.7 | 159.9 | 174 | 67.1 | 73 | 0 | 0 | 0 | 110.4 | A642 D643 R644 T757 | N640-A642 VanDerWaalsContact C-N 3.29Å; N640-A642 PolarHBondContact O-N 3.22Å; N640-A642 PolarHBondContact OD1-N 3.25Å; N640-D643 PolarHBondContact ND2-OD2 3.22Å; N640-D643 PolarHBondContact O-N 3.23Å; N640-D643 PolarHBondContact OD1-N 2.86Å; N640-R644 VanDerWaalsContact O-CB 3.27Å; N640-R644 WeakPolarHBondContact O-CB 3.32Å; N640-R644 PolarHBondContact O-N 3.03Å; N640-T757 HydrophobicContact CB-CG2 4.46Å | ||
| 641 | E | 89.3 | Confident | 92.2 | Very high | 132 Ų | 132 | 55.7 Ų | 55.7 | 62% | 0.617 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -57.7 | -37.2 | -174.2 | -178.6 | 170.6 | -158.6 | 0 | 0 | 113.8 | N645 | E641-N645 WeakPolarHBondContact CG-ND2 3.29Å; E641-N645 VanDerWaalsContact O-CB 3.28Å; E641-N645 WeakPolarHBondContact O-CB 3.32Å; E641-N645 PolarHBondContact O-N 3.38Å; E641-N645 PolarHBondContact O-ND2 3.27Å; E641-N645 PolarHBondContact O-OD1 3.08Å |
| 642 | A | 91.1 | Very high | 92.4 | Very high | 69 Ų | 69 | 59.5 Ų | 59.5 | 57% | 0.57 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -68.7 | -49.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | N640 R644 N645 A646 | N640-A642 VanDerWaalsContact C-N 3.29Å; N640-A642 PolarHBondContact O-N 3.22Å; N640-A642 PolarHBondContact OD1-N 3.25Å; A642-R644 VanDerWaalsContact C-N 3.32Å; A642-R644 PolarHBondContact O-N 3.48Å; A642-N645 PolarHBondContact O-N 3.09Å; A642-A646 VanDerWaalsContact O-CB 3.3Å; A642-A646 WeakPolarHBondContact O-CB 3.34Å; A642-A646 PolarHBondContact O-N 2.9Å |
| 643 | D | 91.1 | Very high | 92.8 | Very high | 97 Ų | 97 | 58.9 Ų | 58.9 | 52% | 0.519 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -65.9 | -35.4 | 177.3 | -70.5 | -24.3 | 0 | 0 | 0 | 111.7 | V639 N640 F647 | V639-D643 HydrophobicContact CG2-CB 3.73Å; N640-D643 PolarHBondContact ND2-OD2 3.22Å; N640-D643 PolarHBondContact O-N 3.23Å; N640-D643 PolarHBondContact OD1-N 2.86Å; D643-F647 VanDerWaalsContact O-CB 3.3Å; D643-F647 WeakPolarHBondContact O-CB 3.5Å; D643-F647 PolarHBondContact O-N 2.89Å |
| 644 | R | 92.1 | Very high | 93.1 | Very high | 39 Ų | 39 | 57.2 Ų | 57.2 | 15% | 0.147 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61.3 | -55 | 174.5 | -175.4 | -174.3 | 66.7 | -176.1 | -1.5 | 110.3 | E636 V639 N640 A642 A646 F647 S648 | E636-R644 IonicContact OE1-NH1 2.77Å; E636-R644 PolarHBondContact OE1-NH1 3.16Å; V639-R644 HydrophobicContact CB-CB 4.5Å; V639-R644 HydrophobicContact CG1-CB 3.75Å; V639-R644 HydrophobicContact CG1-CG 3.99Å; V639-R644 HydrophobicContact CG2-CB 3.99Å; N640-R644 VanDerWaalsContact O-CB 3.27Å; N640-R644 WeakPolarHBondContact O-CB 3.32Å; N640-R644 PolarHBondContact O-N 3.03Å; A642-R644 VanDerWaalsContact C-N 3.32Å; A642-R644 PolarHBondContact O-N 3.48Å; R644-A646 VanDerWaalsContact C-N 3.3Å; R644-A646 PolarHBondContact O-N 3.49Å; R644-F647 PolarHBondContact O-N 2.87Å; R644-S648 WeakPolarHBondContact O-CB 3.31Å; R644-S648 PolarHBondContact O-N 3.45Å; R644-S648 PolarHBondContact O-OG 2.86Å |
| 645 | N | 92.8 | Very high | 93.3 | Very high | 78 Ų | 78 | 56.3 Ų | 56.3 | 42% | 0.417 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -65.9 | -36.5 | -175.2 | -62.5 | -3.1 | 0 | 0 | 0 | 110.8 | E641 A642 L649 | E641-N645 WeakPolarHBondContact CG-ND2 3.29Å; E641-N645 VanDerWaalsContact O-CB 3.28Å; E641-N645 WeakPolarHBondContact O-CB 3.32Å; E641-N645 PolarHBondContact O-N 3.38Å; E641-N645 PolarHBondContact O-ND2 3.27Å; E641-N645 PolarHBondContact O-OD1 3.08Å; A642-N645 PolarHBondContact O-N 3.09Å; N645-L649 WeakPolarHBondContact O-CB 3.09Å; N645-L649 PolarHBondContact O-N 2.68Å |
| 646 | A | 94.4 | Very high | 93.5 | Very high | 62 Ų | 62 | 59.9 Ų | 59.9 | 51% | 0.512 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -66.9 | -38.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | A642 R644 K650 | A642-A646 VanDerWaalsContact O-CB 3.3Å; A642-A646 WeakPolarHBondContact O-CB 3.34Å; A642-A646 PolarHBondContact O-N 2.9Å; R644-A646 VanDerWaalsContact C-N 3.3Å; R644-A646 PolarHBondContact O-N 3.49Å; A646-K650 PolarHBondContact O-N 3.37Å; A646-K650 VanDerWaalsContact O-N 3.17Å |
| 647 | F | 95.9 | Very high | 93.8 | Very high | 3 Ų | 3 | 58 Ų | 58 | 1% | 0.013 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -75.2 | -40.4 | 177 | -174.6 | -144.2 | 0 | 0 | 0 | 112.1 | M627 L631 D643 R644 L649 K650 L651 L677 I680 G681 I684 | M627-F647 HydrophobicContact CE-CE1 3.94Å; L631-F647 HydrophobicContact CD1-CD1 3.54Å; L631-F647 HydrophobicContact CD1-CE1 3.85Å; L631-F647 HydrophobicContact CD1-CG 4.35Å; L631-F647 HydrophobicContact CD2-CD1 4.09Å; L631-F647 HydrophobicContact CD2-CE1 4.5Å; L631-F647 HydrophobicContact CG-CD1 4.4Å; D643-F647 VanDerWaalsContact O-CB 3.3Å; D643-F647 WeakPolarHBondContact O-CB 3.5Å; D643-F647 PolarHBondContact O-N 2.89Å; R644-F647 PolarHBondContact O-N 2.87Å; F647-L649 VanDerWaalsContact C-N 3.32Å; F647-L649 PolarHBondContact O-N 3.35Å; F647-K650 PolarHBondContact O-N 2.93Å; F647-K650 VanDerWaalsContact O-N 3.11Å; F647-L651 HydrophobicContact CD1-CD1 4.47Å; F647-L651 HydrophobicContact CD2-CG 4.23Å; F647-L651 HydrophobicContact CE1-CD1 4.26Å; F647-L651 HydrophobicContact CE2-CD1 4.37Å; F647-L651 HydrophobicContact CE2-CD2 3.89Å; F647-L651 HydrophobicContact CE2-CG 4Å; F647-L651 HydrophobicContact CZ-CD1 4.2Å; F647-L651 HydrophobicContact CZ-CD2 4.03Å; F647-L651 HydrophobicContact CZ-CG 4.27Å; F647-L651 WeakPolarHBondContact O-CG 3.45Å; F647-L651 PolarHBondContact O-N 3.27Å; F647-L677 HydrophobicContact CE2-CB 4.47Å; F647-L677 HydrophobicContact CE2-CD2 4.15Å; F647-I680 HydrophobicContact CB-CG2 3.92Å; F647-I680 HydrophobicContact CD1-CG2 3.94Å; F647-I680 HydrophobicContact CD2-CB 3.87Å; F647-I680 HydrophobicContact CD2-CD1 4.12Å; F647-I680 HydrophobicContact CD2-CG2 3.6Å; F647-I680 HydrophobicContact CE1-CG2 4.38Å; F647-I680 HydrophobicContact CE2-CB 3.87Å; F647-I680 HydrophobicContact CE2-CD1 4.47Å; F647-I680 HydrophobicContact CE2-CG2 4.07Å; F647-I680 HydrophobicContact CG-CB 4.28Å; F647-I680 HydrophobicContact CG-CG2 3.54Å; F647-I680 HydrophobicContact CZ-CB 4.29Å; F647-I680 HydrophobicContact CZ-CG2 4.45Å; F647-G681 VanDerWaalsContact CE1-CA 3.44Å; F647-I684 HydrophobicContact CD1-CD1 4Å; F647-I684 HydrophobicContact CE1-CD1 4.41Å |
| 648 | S | 94.3 | Very high | 94 | Very high | 18 Ų | 18 | 51.2 Ų | 51.2 | 13% | 0.126 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -56 | -45.8 | 171.5 | -65.7 | 0 | 0 | 0 | 0 | 111.7 | R644 K650 L651 E652 | R644-S648 WeakPolarHBondContact O-CB 3.31Å; R644-S648 PolarHBondContact O-N 3.45Å; R644-S648 PolarHBondContact O-OG 2.86Å; S648-K650 VanDerWaalsContact C-N 3.34Å; S648-K650 PolarHBondContact O-N 3.45Å; S648-L651 WeakPolarHBondContact O-CB 3.26Å; S648-L651 PolarHBondContact O-N 2.85Å; S648-L651 VanDerWaalsContact O-N 3.12Å; S648-E652 WeakPolarHBondContact O-CG 3.17Å; S648-E652 PolarHBondContact O-N 3.19Å |
| 649 | L | 95.4 | Very high | 94 | Very high | 98 Ų | 98 | 56.4 Ų | 56.4 | 51% | 0.513 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -58.7 | -44.7 | 174.3 | -179.2 | 62.9 | 0 | 0 | 0 | 111.5 | N645 F647 L651 E652 D653 | N645-L649 WeakPolarHBondContact O-CB 3.09Å; N645-L649 PolarHBondContact O-N 2.68Å; F647-L649 VanDerWaalsContact C-N 3.32Å; F647-L649 PolarHBondContact O-N 3.35Å; L649-L651 VanDerWaalsContact C-N 3.28Å; L649-L651 PolarHBondContact O-N 2.93Å; L649-E652 PolarHBondContact O-N 3.42Å; L649-D653 WeakPolarHBondContact O-CB 2.83Å; L649-D653 VanDerWaalsContact O-CG 3.26Å; L649-D653 PolarHBondContact O-N 2.68Å |
| 650 | K | 96.1 | Very high | 94.1 | Very high | 55 Ų | 55 | 62.1 Ų | 62.1 | 24% | 0.239 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64.8 | -29.9 | 176.9 | -173.5 | 171.2 | -178.1 | 178.7 | 0 | 113.2 | A646 F647 S648 T654 E676 L677 I680 | A646-K650 PolarHBondContact O-N 3.37Å; A646-K650 VanDerWaalsContact O-N 3.17Å; F647-K650 PolarHBondContact O-N 2.93Å; F647-K650 VanDerWaalsContact O-N 3.11Å; S648-K650 VanDerWaalsContact C-N 3.34Å; S648-K650 PolarHBondContact O-N 3.45Å; K650-T654 WeakPolarHBondContact O-CB 3.42Å; K650-T654 PolarHBondContact O-N 2.86Å; K650-T654 VanDerWaalsContact O-N 3.1Å; K650-T654 PolarHBondContact O-OG1 2.93Å; K650-E676 IonicContact NZ-OE2 2.7Å; K650-E676 PolarHBondContact NZ-OE2 2.88Å; K650-L677 HydrophobicContact CD-CD2 4.2Å; K650-L677 HydrophobicContact CG-CD2 3.99Å; K650-I680 HydrophobicContact CD-CD1 4.02Å |
| 651 | L | 96.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -69.3 | -43.9 | 173 | -66.6 | 170.9 | 0 | 0 | 0 | 110.6 | V624 M627 L631 F647 S648 L649 T654 E655 L677 | V624-L651 HydrophobicContact CG1-CB 4.42Å; V624-L651 HydrophobicContact CG2-CD2 4.13Å; M627-L651 HydrophobicContact CB-CD1 3.88Å; M627-L651 HydrophobicContact CB-CD2 4.42Å; L631-L651 HydrophobicContact CD1-CD1 3.52Å; F647-L651 HydrophobicContact CD1-CD1 4.47Å; F647-L651 HydrophobicContact CD2-CG 4.23Å; F647-L651 HydrophobicContact CE1-CD1 4.26Å; F647-L651 HydrophobicContact CE2-CD1 4.37Å; F647-L651 HydrophobicContact CE2-CD2 3.89Å; F647-L651 HydrophobicContact CE2-CG 4Å; F647-L651 HydrophobicContact CZ-CD1 4.2Å; F647-L651 HydrophobicContact CZ-CD2 4.03Å; F647-L651 HydrophobicContact CZ-CG 4.27Å; F647-L651 WeakPolarHBondContact O-CG 3.45Å; F647-L651 PolarHBondContact O-N 3.27Å; S648-L651 WeakPolarHBondContact O-CB 3.26Å; S648-L651 PolarHBondContact O-N 2.85Å; S648-L651 VanDerWaalsContact O-N 3.12Å; L649-L651 VanDerWaalsContact C-N 3.28Å; L649-L651 PolarHBondContact O-N 2.93Å; L651-T654 CarbonylContact O-C 3.57Å; L651-T654 PolarHBondContact O-N 3.18Å; L651-T654 VanDerWaalsContact O-N 3.12Å; L651-E655 PolarHBondContact O-N 2.94Å; L651-L677 HydrophobicContact CD2-CD1 4.01Å; L651-L677 HydrophobicContact CD2-CD2 4Å; L651-L677 HydrophobicContact CD2-CG 4.48Å |
| 652 | E | 95.3 | Very high | 94.1 | Very high | 79 Ų | 79 | 59 Ų | 59 | 37% | 0.369 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -66.8 | -38.6 | 176.3 | -67.6 | 179.3 | 161.9 | 0 | 0 | 112.5 | R628 S648 L649 T654 E655 T656 | R628-E652 IonicContact CZ-OE1 3.43Å; R628-E652 IonicContact NE-OE1 3.38Å; R628-E652 PolarHBondContact NE-OE1 2.86Å; R628-E652 IonicContact NH2-OE1 2.83Å; R628-E652 PolarHBondContact NH2-OE1 3.17Å; S648-E652 WeakPolarHBondContact O-CG 3.17Å; S648-E652 PolarHBondContact O-N 3.19Å; L649-E652 PolarHBondContact O-N 3.42Å; E652-T654 VanDerWaalsContact C-N 3.27Å; E652-T654 PolarHBondContact O-N 3.44Å; E652-E655 PolarHBondContact O-N 3.43Å; E652-T656 WeakPolarHBondContact O-CB 3.48Å; E652-T656 PolarHBondContact O-N 3.19Å; E652-T656 PolarHBondContact O-OG1 3.23Å |
| 653 | D | 96.1 | Very high | 94.1 | Very high | 93 Ų | 93 | 61.9 Ų | 61.9 | 50% | 0.497 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -59.5 | -37.7 | 168.9 | -70 | -27.4 | 0 | 0 | 0 | 111.5 | L649 W657 | L649-D653 WeakPolarHBondContact O-CB 2.83Å; L649-D653 VanDerWaalsContact O-CG 3.26Å; L649-D653 PolarHBondContact O-N 2.68Å; D653-W657 VanDerWaalsContact O-CB 3.29Å; D653-W657 WeakPolarHBondContact O-CB 3.42Å; D653-W657 PolarHBondContact O-N 2.89Å |
| 654 | T | 96.1 | Very high | 94.1 | Very high | 5 Ų | 5 | 61.1 Ų | 61.1 | 3% | 0.031 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -79.5 | -33.4 | -179.2 | -52.3 | 0 | 0 | 0 | 0 | 112.2 | V620 V624 K650 L651 E652 W657 L658 L677 | V620-T654 HydrophobicContact CG1-CG2 3.9Å; V624-T654 HydrophobicContact CG2-CG2 4.19Å; K650-T654 WeakPolarHBondContact O-CB 3.42Å; K650-T654 PolarHBondContact O-N 2.86Å; K650-T654 VanDerWaalsContact O-N 3.1Å; K650-T654 PolarHBondContact O-OG1 2.93Å; L651-T654 CarbonylContact O-C 3.57Å; L651-T654 PolarHBondContact O-N 3.18Å; L651-T654 VanDerWaalsContact O-N 3.12Å; E652-T654 VanDerWaalsContact C-N 3.27Å; E652-T654 PolarHBondContact O-N 3.44Å; T654-W657 HydrophobicContact CG2-CE3 4.33Å; T654-W657 PolarHBondContact O-N 2.95Å; T654-L658 WeakPolarHBondContact O-CG 3.37Å; T654-L658 PolarHBondContact O-N 2.93Å; T654-L677 HydrophobicContact CG2-CD1 4.09Å |
| 655 | E | 94.8 | Very high | 94.2 | Very high | 34 Ų | 34 | 62.4 Ų | 62.4 | 16% | 0.159 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61 | -48.2 | 169.9 | -167.6 | 174.5 | 166.4 | 0 | 0 | 110.1 | V624 Y625 R628 L651 E652 W657 L658 Y659 | V624-E655 HydrophobicContact CG1-CB 4Å; V624-E655 HydrophobicContact CG1-CG 4.5Å; Y625-E655 HydrophobicContact CE1-CG 4.48Å; Y625-E655 WeakPolarHBondContact CE1-OE1 3.32Å; Y625-E655 PolarHBondContact OH-OE1 2.67Å; R628-E655 IonicContact CZ-OE2 3.68Å; R628-E655 IonicContact NH1-OE1 2.64Å; R628-E655 IonicContact NH1-OE2 2.67Å; R628-E655 PolarHBondContact NH1-OE2 3.4Å; L651-E655 PolarHBondContact O-N 2.94Å; E652-E655 PolarHBondContact O-N 3.43Å; E655-W657 PolarHBondContact O-N 2.88Å; E655-L658 PolarHBondContact O-N 2.91Å; E655-Y659 HydrophobicContact CG-CE2 4.05Å; E655-Y659 WeakPolarHBondContact O-CD2 3.23Å |
| 656 | T | 95.6 | Very high | 94.3 | Very high | 75 Ų | 75 | 65.9 Ų | 65.9 | 46% | 0.46 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -59.6 | -48 | 176 | -53.5 | 0 | 0 | 0 | 0 | 110.9 | E652 L658 Y659 E660 | E652-T656 WeakPolarHBondContact O-CB 3.48Å; E652-T656 PolarHBondContact O-N 3.19Å; E652-T656 PolarHBondContact O-OG1 3.23Å; T656-L658 VanDerWaalsContact C-N 3.35Å; T656-L658 PolarHBondContact O-N 3.4Å; T656-Y659 PolarHBondContact O-N 2.8Å; T656-E660 PolarHBondContact O-N 3.07Å |
| 657 | W | 96.5 | Very high | 94.3 | Very high | 49 Ų | 49 | 66.4 Ų | 66.4 | 19% | 0.186 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -58.8 | -40.1 | 177 | 176.2 | 80.6 | 0 | 0 | 0 | 113 | D653 T654 E655 Y659 E660 G662 Q665 V669 Y670 K673 | D653-W657 VanDerWaalsContact O-CB 3.29Å; D653-W657 WeakPolarHBondContact O-CB 3.42Å; D653-W657 PolarHBondContact O-N 2.89Å; T654-W657 HydrophobicContact CG2-CE3 4.33Å; T654-W657 PolarHBondContact O-N 2.95Å; E655-W657 PolarHBondContact O-N 2.88Å; W657-Y659 PolarHBondContact O-N 2.76Å; W657-Y659 VanDerWaalsContact O-N 3.16Å; W657-E660 CarbonylContact O-C 3.49Å; W657-E660 PolarHBondContact O-N 2.79Å; W657-E660 VanDerWaalsContact O-N 3.09Å; W657-G662 VanDerWaalsContact CE2-CA 3.4Å; W657-G662 WeakPolarHBondContact O-CA 3.39Å; W657-G662 PolarHBondContact O-N 3.03Å; W657-Q665 HydrophobicContact CH2-CG 4.33Å; W657-Q665 HydrophobicContact CZ2-CG 3.9Å; W657-V669 HydrophobicContact CH2-CG1 3.88Å; W657-V669 HydrophobicContact CZ2-CG1 3.79Å; W657-Y670 AromaticContact CH2-CD1 3.84Å; W657-Y670 HydrophobicContact CH2-CD1 3.84Å; W657-Y670 AromaticContact CH2-CE1 3.8Å; W657-Y670 HydrophobicContact CH2-CE1 3.8Å; W657-Y670 AromaticContact CZ3-CD1 3.93Å; W657-Y670 HydrophobicContact CZ3-CD1 3.93Å; W657-Y670 AromaticContact CZ3-CE1 3.95Å; W657-Y670 HydrophobicContact CZ3-CE1 3.95Å; W657-K673 HydrophobicContact CH2-CG 3.95Å; W657-K673 HydrophobicContact CZ2-CG 4.49Å; W657-K673 HydrophobicContact CZ3-CG 3.99Å |
| 658 | L | 95.1 | Very high | 94.4 | Very high | 2 Ų | 2 | 71 Ų | 71 | 1% | 0.01 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -61.9 | -21.8 | -179.9 | -79.5 | 168.6 | 0 | 0 | 0 | 114.6 | K617 V620 E621 T654 E655 T656 E663 Y670 | K617-L658 WeakPolarHBondContact CE-O 3.21Å; K617-L658 HydrophobicContact CG-CD2 3.85Å; K617-L658 PolarHBondContact NZ-O 2.76Å; V620-L658 HydrophobicContact CB-CD1 4.3Å; V620-L658 HydrophobicContact CB-CD2 4.3Å; V620-L658 HydrophobicContact CG1-CD1 4.02Å; V620-L658 HydrophobicContact CG1-CD2 4.37Å; E621-L658 HydrophobicContact CB-CD1 4.01Å; T654-L658 WeakPolarHBondContact O-CG 3.37Å; T654-L658 PolarHBondContact O-N 2.93Å; E655-L658 PolarHBondContact O-N 2.91Å; T656-L658 VanDerWaalsContact C-N 3.35Å; T656-L658 PolarHBondContact O-N 3.4Å; L658-E663 WeakPolarHBondContact O-CA 3.37Å; L658-Y670 HydrophobicContact CD2-CD1 4.29Å; L658-Y670 HydrophobicContact CD2-CE1 4.08Å |
| 659 | Y | 92.1 | Very high | 94.5 | Very high | 123 Ų | 123 | 72.5 Ų | 72.5 | 48% | 0.482 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -105 | -3.6 | 177.3 | -57.8 | -55.9 | 0 | 0 | 0 | 113.8 | E621 Y625 E655 T656 W657 | E621-Y659 PolarHBondContact OE1-OH 3.45Å; Y625-Y659 PolarHBondContact OH-OH 2.81Å; E655-Y659 HydrophobicContact CG-CE2 4.05Å; E655-Y659 WeakPolarHBondContact O-CD2 3.23Å; T656-Y659 PolarHBondContact O-N 2.8Å; W657-Y659 PolarHBondContact O-N 2.76Å; W657-Y659 VanDerWaalsContact O-N 3.16Å |
| 660 | E | 93.3 | Very high | 94.6 | Very high | 132 Ų | 132 | 67.9 Ų | 67.9 | 62% | 0.617 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.4 | -118 | 174.9 | -63.4 | -171.4 | 159 | 0 | 0 | 110.4 | T656 W657 G662 E663 | T656-E660 PolarHBondContact O-N 3.07Å; W657-E660 CarbonylContact O-C 3.49Å; W657-E660 PolarHBondContact O-N 2.79Å; W657-E660 VanDerWaalsContact O-N 3.09Å; E660-G662 PolarHBondContact O-N 2.89Å; E660-E663 WeakPolarHBondContact O-CB 3.35Å; E660-E663 PolarHBondContact O-N 3.22Å |
| 661 | D | 92.1 | Very high | 94.7 | Very high | 127 Ų | 127 | 68.6 Ų | 68.6 | 68% | 0.679 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | -24.7 | -178.4 | -75 | -25.3 | 0 | 0 | 0 | 114.4 | Q665 | D661-Q665 WeakPolarHBondContact O-CG 3.4Å; D661-Q665 PolarHBondContact O-NE2 2.86Å |
| 662 | G | 90.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 72.4 Ų | 72.4 | 0% | 0 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -0.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | W657 E660 D664 Y670 | W657-G662 VanDerWaalsContact CE2-CA 3.4Å; W657-G662 WeakPolarHBondContact O-CA 3.39Å; W657-G662 PolarHBondContact O-N 3.03Å; E660-G662 PolarHBondContact O-N 2.89Å; G662-D664 VanDerWaalsContact C-N 3.26Å; G662-D664 PolarHBondContact O-N 3Å; G662-Y670 VanDerWaalsContact O-CE1 3.31Å; G662-Y670 WeakPolarHBondContact O-CE1 3.32Å; G662-Y670 PolarHBondContact O-OH 3.35Å |
| 663 | E | 90.3 | Very high | 94.8 | Very high | 131 Ų | 131 | 71.2 Ų | 71.2 | 61% | 0.612 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -46.7 | -179.9 | -172.4 | -175.9 | -159.6 | 0 | 0 | 110.7 | K617 L658 E660 Y670 | K617-E663 PolarHBondContact NZ-O 3.21Å; L658-E663 WeakPolarHBondContact O-CA 3.37Å; E660-E663 WeakPolarHBondContact O-CB 3.35Å; E660-E663 PolarHBondContact O-N 3.22Å; E663-Y670 PolarHBondContact O-OH 2.59Å; E663-Y670 VanDerWaalsContact O-OH 3.12Å |
| 664 | D | 90.7 | Very high | 94.9 | Very high | 81 Ų | 81 | 68 Ų | 68 | 43% | 0.433 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -128.3 | 81.3 | -174.4 | -180 | 31.4 | 0 | 0 | 0 | 112.4 | R44 R613 G662 | R44-D664 IonicContact CZ-OD1 2.8Å; R44-D664 IonicContact CZ-OD2 2.67Å; R44-D664 IonicContact NH1-OD1 3.58Å; R44-D664 PolarHBondContact NH1-OD1 2.94Å; R44-D664 IonicContact NH1-OD2 3.79Å; R44-D664 IonicContact NH2-OD1 3.98Å; R44-D664 PolarHBondContact NH2-OD1 3.15Å; R44-D664 IonicContact NH2-OD2 2.81Å; R44-D664 PolarHBondContact NH2-OD2 2.79Å; R613-D664 IonicContact CZ-OD1 3.49Å; R613-D664 IonicContact NH1-OD1 2.86Å; G662-D664 VanDerWaalsContact C-N 3.26Å; G662-D664 PolarHBondContact O-N 3Å |
| 665 | Q | 95 | Very high | 94.9 | Very high | 66 Ų | 66 | 70.5 Ų | 70.5 | 31% | 0.308 | 35% | 0.351 | S | S | . | . | trans | -118.6 | 161.6 | 177 | -69.2 | -66.1 | -23 | 0 | 0 | 112.5 | R613 W657 D661 V669 Y670 | R613-Q665 WeakPolarHBondContact CD-O 3.45Å; R613-Q665 PolarHBondContact NH1-O 3.04Å; W657-Q665 HydrophobicContact CH2-CG 4.33Å; W657-Q665 HydrophobicContact CZ2-CG 3.9Å; D661-Q665 WeakPolarHBondContact O-CG 3.4Å; D661-Q665 PolarHBondContact O-NE2 2.86Å; Q665-V669 HydrophobicContact CB-CB 4.08Å; Q665-V669 HydrophobicContact CB-CG1 4.28Å; Q665-V669 HydrophobicContact CB-CG2 4.4Å; Q665-V669 HydrophobicContact CG-CG1 4.44Å; Q665-Y670 HydrophobicContact CB-CE1 4.09Å; Q665-Y670 HydrophobicContact CB-CE2 4.15Å; Q665-Y670 PolarHBondContact N-OH 2.92Å; Q665-Y670 VanDerWaalsContact O-CE2 3.26Å; Q665-Y670 WeakPolarHBondContact O-CE2 3.22Å | ||
| 666 | Q | 94.6 | Very high | 95 | Very high | 150 Ų | 150 | 72.7 Ų | 72.7 | 70% | 0.701 | 36% | 0.361 | S | S | * | . | trans | -66.8 | 147 | 174.1 | -61.6 | -172.7 | 10.6 | 0 | 0 | 110.8 | Q668 V669 | Q666-Q668 PolarHBondContact O-N 3.47Å; Q666-V669 HydrophobicContact CB-CG2 4.38Å; Q666-V669 WeakPolarHBondContact O-CB 3.49Å; Q666-V669 PolarHBondContact O-N 3.47Å | ||
| 667 | K | 95.6 | Very high | 95.1 | Very high | 73 Ų | 73 | 69.1 Ų | 69.1 | 32% | 0.317 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -46.5 | -40 | -178 | -176.9 | -174.9 | 176.2 | -167.6 | 0 | 113.8 | E612 R613 A616 V669 Y670 I671 | E612-K667 HydrophobicContact CB-CD 4.03Å; E612-K667 IonicContact OE2-NZ 2.81Å; E612-K667 PolarHBondContact OE2-NZ 3.42Å; R613-K667 HydrophobicContact CB-CB 4.33Å; R613-K667 HydrophobicContact CG-CB 4.33Å; A616-K667 HydrophobicContact CB-CG 3.94Å; K667-V669 VanDerWaalsContact C-N 3.34Å; K667-V669 PolarHBondContact O-N 3.16Å; K667-Y670 PolarHBondContact O-N 2.8Å; K667-I671 HydrophobicContact CG-CD1 4.07Å; K667-I671 WeakPolarHBondContact O-CG1 3.16Å; K667-I671 PolarHBondContact O-N 2.89Å |
| 668 | Q | 96.8 | Very high | 95.1 | Very high | 101 Ų | 101 | 70.7 Ų | 70.7 | 47% | 0.472 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -65 | -35.8 | -178.8 | -168.9 | 59.1 | 43.4 | 0 | 0 | 112.7 | Q666 Y670 I671 D672 | Q666-Q668 PolarHBondContact O-N 3.47Å; Q668-Y670 VanDerWaalsContact C-N 3.32Å; Q668-Y670 PolarHBondContact O-N 3.23Å; Q668-I671 WeakPolarHBondContact O-CB 3.33Å; Q668-I671 PolarHBondContact O-N 3.2Å; Q668-I671 VanDerWaalsContact O-N 3.13Å; Q668-D672 PolarHBondContact NE2-OD1 3.42Å; Q668-D672 VanDerWaalsContact O-CG 3.23Å; Q668-D672 PolarHBondContact O-N 2.79Å |
| 669 | V | 97.2 | Very high | 95.1 | Very high | 48 Ų | 48 | 79 Ų | 79 | 29% | 0.291 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.3 | -40 | -179.7 | -174 | 0 | 0 | 0 | 0 | 110.9 | W657 Q665 Q666 K667 D672 K673 | W657-V669 HydrophobicContact CH2-CG1 3.88Å; W657-V669 HydrophobicContact CZ2-CG1 3.79Å; Q665-V669 HydrophobicContact CB-CB 4.08Å; Q665-V669 HydrophobicContact CB-CG1 4.28Å; Q665-V669 HydrophobicContact CB-CG2 4.4Å; Q665-V669 HydrophobicContact CG-CG1 4.44Å; Q666-V669 HydrophobicContact CB-CG2 4.38Å; Q666-V669 WeakPolarHBondContact O-CB 3.49Å; Q666-V669 PolarHBondContact O-N 3.47Å; K667-V669 VanDerWaalsContact C-N 3.34Å; K667-V669 PolarHBondContact O-N 3.16Å; V669-D672 PolarHBondContact O-N 3.01Å; V669-K673 WeakPolarHBondContact O-CB 3.43Å; V669-K673 WeakPolarHBondContact O-CG 3.38Å; V669-K673 PolarHBondContact O-N 3.05Å |
| 670 | Y | 97.9 | Very high | 95.2 | Very high | 1 Ų | 1 | 76.4 Ų | 76.4 | 0% | 0.004 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -66.9 | -39.3 | 174.1 | -59.4 | -55.5 | 0 | 0 | 0 | 112.4 | R613 A616 K617 V620 W657 L658 G662 E663 Q665 K667 Q668 K673 L674 | R613-Y670 HydrophobicContact CG-CE2 4.27Å; A616-Y670 HydrophobicContact CB-CD2 4.46Å; K617-Y670 HydrophobicContact CB-CD1 4.19Å; K617-Y670 HydrophobicContact CB-CD2 3.99Å; K617-Y670 HydrophobicContact CB-CE1 4.03Å; K617-Y670 HydrophobicContact CB-CE2 3.81Å; K617-Y670 HydrophobicContact CB-CG 4.18Å; K617-Y670 HydrophobicContact CD-CE1 4.25Å; K617-Y670 HydrophobicContact CG-CD1 4.2Å; K617-Y670 HydrophobicContact CG-CE1 3.74Å; K617-Y670 HydrophobicContact CG-CE2 4.31Å; V620-Y670 HydrophobicContact CG2-CD1 4.39Å; V620-Y670 VanDerWaalsContact CG2-O 3.28Å; V620-Y670 WeakPolarHBondContact CG2-O 3.43Å; W657-Y670 AromaticContact CH2-CD1 3.84Å; W657-Y670 HydrophobicContact CH2-CD1 3.84Å; W657-Y670 AromaticContact CH2-CE1 3.8Å; W657-Y670 HydrophobicContact CH2-CE1 3.8Å; W657-Y670 AromaticContact CZ3-CD1 3.93Å; W657-Y670 HydrophobicContact CZ3-CD1 3.93Å; W657-Y670 AromaticContact CZ3-CE1 3.95Å; W657-Y670 HydrophobicContact CZ3-CE1 3.95Å; L658-Y670 HydrophobicContact CD2-CD1 4.29Å; L658-Y670 HydrophobicContact CD2-CE1 4.08Å; G662-Y670 VanDerWaalsContact O-CE1 3.31Å; G662-Y670 WeakPolarHBondContact O-CE1 3.32Å; G662-Y670 PolarHBondContact O-OH 3.35Å; E663-Y670 PolarHBondContact O-OH 2.59Å; E663-Y670 VanDerWaalsContact O-OH 3.12Å; Q665-Y670 HydrophobicContact CB-CE1 4.09Å; Q665-Y670 HydrophobicContact CB-CE2 4.15Å; Q665-Y670 PolarHBondContact N-OH 2.92Å; Q665-Y670 VanDerWaalsContact O-CE2 3.26Å; Q665-Y670 WeakPolarHBondContact O-CE2 3.22Å; K667-Y670 PolarHBondContact O-N 2.8Å; Q668-Y670 VanDerWaalsContact C-N 3.32Å; Q668-Y670 PolarHBondContact O-N 3.23Å; Y670-K673 PolarHBondContact O-N 3.47Å; Y670-L674 WeakPolarHBondContact O-CB 3.3Å; Y670-L674 PolarHBondContact O-N 3.27Å |
| 671 | I | 97.5 | Very high | 95.2 | Very high | 70 Ų | 70 | 70.1 Ų | 70.1 | 36% | 0.359 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62.9 | -45.5 | 175.5 | -67.7 | 169 | 0 | 0 | 0 | 110.8 | A616 K667 Q668 L674 A675 | A616-I671 HydrophobicContact CB-CG1 4.48Å; K667-I671 HydrophobicContact CG-CD1 4.07Å; K667-I671 WeakPolarHBondContact O-CG1 3.16Å; K667-I671 PolarHBondContact O-N 2.89Å; Q668-I671 WeakPolarHBondContact O-CB 3.33Å; Q668-I671 PolarHBondContact O-N 3.2Å; Q668-I671 VanDerWaalsContact O-N 3.13Å; I671-L674 PolarHBondContact O-N 2.99Å; I671-A675 WeakPolarHBondContact O-CB 3.49Å; I671-A675 PolarHBondContact O-N 2.88Å |
| 672 | D | 97.4 | Very high | 95.3 | Very high | 81 Ų | 81 | 67.8 Ų | 67.8 | 43% | 0.433 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -66.8 | -40.2 | 179.8 | -64.8 | -20.3 | 0 | 0 | 0 | 111.1 | Q668 V669 A675 E676 | Q668-D672 PolarHBondContact NE2-OD1 3.42Å; Q668-D672 VanDerWaalsContact O-CG 3.23Å; Q668-D672 PolarHBondContact O-N 2.79Å; V669-D672 PolarHBondContact O-N 3.01Å; D672-A675 PolarHBondContact O-N 3.46Å; D672-E676 PolarHBondContact O-N 2.86Å |
| 673 | K | 96.3 | Very high | 95.4 | Very high | 53 Ų | 53 | 70.7 Ų | 70.7 | 23% | 0.23 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -61.9 | -44.4 | 172 | -78.4 | -69.3 | 177.3 | -163.3 | 0 | 112.7 | W657 V669 Y670 A675 E676 L677 | W657-K673 HydrophobicContact CH2-CG 3.95Å; W657-K673 HydrophobicContact CZ2-CG 4.49Å; W657-K673 HydrophobicContact CZ3-CG 3.99Å; V669-K673 WeakPolarHBondContact O-CB 3.43Å; V669-K673 WeakPolarHBondContact O-CG 3.38Å; V669-K673 PolarHBondContact O-N 3.05Å; Y670-K673 PolarHBondContact O-N 3.47Å; K673-A675 VanDerWaalsContact C-N 3.29Å; K673-A675 PolarHBondContact O-N 3.26Å; K673-E676 IonicContact NZ-OE1 3.76Å; K673-E676 IonicContact NZ-OE2 3.94Å; K673-E676 WeakPolarHBondContact O-CB 3.06Å; K673-E676 PolarHBondContact O-N 3.05Å; K673-L677 WeakPolarHBondContact O-CG 3.39Å; K673-L677 PolarHBondContact O-N 2.89Å |
| 674 | L | 97.3 | Very high | 95.6 | Very high | 26 Ų | 26 | 65 Ų | 65 | 14% | 0.136 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.5 | -38 | 175.9 | -172.3 | 55.4 | 0 | 0 | 0 | 111.8 | N619 V620 Y623 Y670 I671 K678 | N619-L674 HydrophobicContact CB-CD2 3.92Å; N619-L674 WeakPolarHBondContact O-CD1 3.31Å; V620-L674 HydrophobicContact CG2-CB 4.21Å; Y623-L674 HydrophobicContact CD1-CD1 3.73Å; Y623-L674 HydrophobicContact CD2-CD1 4.49Å; Y623-L674 HydrophobicContact CG-CD1 3.66Å; Y670-L674 WeakPolarHBondContact O-CB 3.3Å; Y670-L674 PolarHBondContact O-N 3.27Å; I671-L674 PolarHBondContact O-N 2.99Å; L674-K678 HydrophobicContact CD1-CD 4.12Å; L674-K678 HydrophobicContact CD1-CG 4.39Å; L674-K678 HydrophobicContact CG-CD 4.07Å; L674-K678 WeakPolarHBondContact O-CB 3.43Å; L674-K678 WeakPolarHBondContact O-CG 3.33Å; L674-K678 PolarHBondContact O-N 2.89Å |
| 675 | A | 97.6 | Very high | 95.6 | Very high | 57 Ų | 57 | 62.8 Ų | 62.8 | 47% | 0.471 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -68 | -40.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | I671 D672 K673 L677 K678 K679 | I671-A675 WeakPolarHBondContact O-CB 3.49Å; I671-A675 PolarHBondContact O-N 2.88Å; D672-A675 PolarHBondContact O-N 3.46Å; K673-A675 VanDerWaalsContact C-N 3.29Å; K673-A675 PolarHBondContact O-N 3.26Å; A675-L677 PolarHBondContact O-N 3.02Å; A675-K678 PolarHBondContact O-N 2.72Å; A675-K679 WeakPolarHBondContact O-CB 3.36Å; A675-K679 PolarHBondContact O-N 3.12Å |
| 676 | E | 96.6 | Very high | 95.5 | Very high | 81 Ų | 81 | 63 Ų | 63 | 38% | 0.379 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -57.8 | -44.6 | 172.7 | -85.5 | -171.7 | -139.5 | 0 | 0 | 112.4 | K650 D672 K673 | K650-E676 IonicContact NZ-OE2 2.7Å; K650-E676 PolarHBondContact NZ-OE2 2.88Å; D672-E676 PolarHBondContact O-N 2.86Å; K673-E676 IonicContact NZ-OE1 3.76Å; K673-E676 IonicContact NZ-OE2 3.94Å; K673-E676 WeakPolarHBondContact O-CB 3.06Å; K673-E676 PolarHBondContact O-N 3.05Å |
| 677 | L | 96.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -71 | -46.2 | 179.2 | -64.4 | 179.8 | 0 | 0 | 0 | 111.2 | V620 Y623 V624 F647 K650 L651 T654 K673 A675 K679 I680 G681 | V620-L677 HydrophobicContact CG1-CD1 4.35Å; Y623-L677 HydrophobicContact CD1-CB 3.96Å; Y623-L677 HydrophobicContact CD1-CD1 4.22Å; Y623-L677 HydrophobicContact CE1-CB 3.7Å; V624-L677 HydrophobicContact CG2-CD1 3.67Å; F647-L677 HydrophobicContact CE2-CB 4.47Å; F647-L677 HydrophobicContact CE2-CD2 4.15Å; K650-L677 HydrophobicContact CD-CD2 4.2Å; K650-L677 HydrophobicContact CG-CD2 3.99Å; L651-L677 HydrophobicContact CD2-CD1 4.01Å; L651-L677 HydrophobicContact CD2-CD2 4Å; L651-L677 HydrophobicContact CD2-CG 4.48Å; T654-L677 HydrophobicContact CG2-CD1 4.09Å; K673-L677 WeakPolarHBondContact O-CG 3.39Å; K673-L677 PolarHBondContact O-N 2.89Å; A675-L677 PolarHBondContact O-N 3.02Å; L677-K679 PolarHBondContact O-N 2.64Å; L677-I680 PolarHBondContact O-N 2.95Å; L677-G681 PolarHBondContact O-N 3.41Å |
| 678 | K | 96.2 | Very high | 95.2 | Very high | 81 Ų | 81 | 57.1 Ų | 57.1 | 35% | 0.352 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.3 | -28.9 | 178.5 | -77.3 | 178.3 | 177 | 174.1 | 0 | 113 | Y623 L674 A675 I680 Q682 | Y623-K678 HydrophobicContact CD1-CG 4.28Å; Y623-K678 HydrophobicContact CD2-CG 4.42Å; Y623-K678 HydrophobicContact CE1-CG 3.67Å; Y623-K678 HydrophobicContact CE2-CD 4.38Å; Y623-K678 HydrophobicContact CE2-CG 3.83Å; Y623-K678 VanDerWaalsContact CZ-CG 3.43Å; L674-K678 HydrophobicContact CD1-CD 4.12Å; L674-K678 HydrophobicContact CD1-CG 4.39Å; L674-K678 HydrophobicContact CG-CD 4.07Å; L674-K678 WeakPolarHBondContact O-CB 3.43Å; L674-K678 WeakPolarHBondContact O-CG 3.33Å; L674-K678 PolarHBondContact O-N 2.89Å; A675-K678 PolarHBondContact O-N 2.72Å; K678-I680 PolarHBondContact O-N 3.1Å; K678-Q682 WeakPolarHBondContact O-CB 3.28Å; K678-Q682 PolarHBondContact O-N 2.82Å |
| 679 | K | 96.1 | Very high | 94.9 | Very high | 177 Ų | 177 | 56 Ų | 56 | 77% | 0.77 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -59.5 | -25.4 | 172.4 | -171.3 | 176.3 | 178.9 | -177.3 | 0 | 113.6 | A675 L677 | A675-K679 WeakPolarHBondContact O-CB 3.36Å; A675-K679 PolarHBondContact O-N 3.12Å; L677-K679 PolarHBondContact O-N 2.64Å |
| 680 | I | 94.1 | Very high | 94.7 | Very high | 69 Ų | 69 | 55.3 Ų | 55.3 | 35% | 0.354 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -100.1 | -45 | 177.8 | -53.9 | 170.9 | 0 | 0 | 0 | 110.6 | F647 K650 L677 K678 P683 | F647-I680 HydrophobicContact CB-CG2 3.92Å; F647-I680 HydrophobicContact CD1-CG2 3.94Å; F647-I680 HydrophobicContact CD2-CB 3.87Å; F647-I680 HydrophobicContact CD2-CD1 4.12Å; F647-I680 HydrophobicContact CD2-CG2 3.6Å; F647-I680 HydrophobicContact CE1-CG2 4.38Å; F647-I680 HydrophobicContact CE2-CB 3.87Å; F647-I680 HydrophobicContact CE2-CD1 4.47Å; F647-I680 HydrophobicContact CE2-CG2 4.07Å; F647-I680 HydrophobicContact CG-CB 4.28Å; F647-I680 HydrophobicContact CG-CG2 3.54Å; F647-I680 HydrophobicContact CZ-CB 4.29Å; F647-I680 HydrophobicContact CZ-CG2 4.45Å; K650-I680 HydrophobicContact CD-CD1 4.02Å; L677-I680 PolarHBondContact O-N 2.95Å; K678-I680 PolarHBondContact O-N 3.1Å; I680-P683 WeakPolarHBondContact O-CD 3.49Å |
| 681 | G | 93.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -75.5 | -34.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | F647 L677 I684 H685 | F647-G681 VanDerWaalsContact CE1-CA 3.44Å; L677-G681 PolarHBondContact O-N 3.41Å; G681-I684 PolarHBondContact O-N 2.97Å; G681-H685 PolarHBondContact O-N 2.83Å |
| 682 | Q | 93.3 | Very high | 94.1 | Very high | 78 Ų | 78 | 57.3 Ų | 57.3 | 36% | 0.364 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -63.3 | -45.6 | -177.1 | -168 | 70.6 | 52.3 | 0 | 0 | 112.4 | K678 I684 H685 D686 | K678-Q682 WeakPolarHBondContact O-CB 3.28Å; K678-Q682 PolarHBondContact O-N 2.82Å; Q682-I684 PolarHBondContact O-N 3.48Å; Q682-H685 PolarHBondContact O-N 3.46Å; Q682-H685 VanDerWaalsContact O-N 3.16Å; Q682-D686 PolarHBondContact NE2-OD1 3.4Å; Q682-D686 WeakPolarHBondContact O-CB 3.17Å; Q682-D686 PolarHBondContact O-N 3.42Å |
| 683 | P | 93.6 | Very high | 93.9 | Very high | 60 Ų | 60 | 56.7 Ų | 56.7 | 39% | 0.39 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -59.3 | -29 | 175.2 | -26.5 | 36 | 0 | 0 | 0 | 114.9 | I680 K687 | I680-P683 WeakPolarHBondContact O-CD 3.49Å; P683-K687 WeakPolarHBondContact O-CD 3.49Å; P683-K687 VanDerWaalsContact O-CG 3.27Å; P683-K687 WeakPolarHBondContact O-CG 3.49Å; P683-K687 PolarHBondContact O-N 2.81Å |
| 684 | I | 92.9 | Very high | 93.8 | Very high | 11 Ų | 11 | 55 Ų | 55 | 6% | 0.056 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -74.3 | -46.6 | 175.8 | -56.5 | 167.6 | 0 | 0 | 0 | 109.6 | L631 L635 F638 V639 F647 G681 Q682 D686 K687 Y688 | L631-I684 HydrophobicContact CD2-CD1 4.1Å; L635-I684 HydrophobicContact CB-CG2 4Å; L635-I684 HydrophobicContact CD1-CG2 4.24Å; L635-I684 HydrophobicContact CG-CG2 4.48Å; F638-I684 HydrophobicContact CB-CG2 4.18Å; V639-I684 HydrophobicContact CB-CD1 3.94Å; V639-I684 HydrophobicContact CB-CG1 4.12Å; V639-I684 HydrophobicContact CB-CG2 3.94Å; V639-I684 HydrophobicContact CG1-CG2 4.28Å; V639-I684 HydrophobicContact CG2-CD1 3.74Å; V639-I684 HydrophobicContact CG2-CG1 4.25Å; F647-I684 HydrophobicContact CD1-CD1 4Å; F647-I684 HydrophobicContact CE1-CD1 4.41Å; G681-I684 PolarHBondContact O-N 2.97Å; Q682-I684 PolarHBondContact O-N 3.48Å; I684-D686 VanDerWaalsContact C-N 3.34Å; I684-D686 PolarHBondContact O-N 2.84Å; I684-K687 PolarHBondContact O-N 3.14Å; I684-Y688 PolarHBondContact O-N 2.94Å |
| 685 | H | 91.5 | Very high | 93.6 | Very high | 36 Ų | 36 | 57.6 Ų | 57.6 | 17% | 0.167 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.5 | -38.6 | 177.3 | -167.6 | -86.9 | 0 | 0 | 0 | 112.4 | K630 L635 G681 Q682 Y688 L689 | K630-H685 PolarHBondContact NZ-NE2 2.96Å; L635-H685 HydrophobicContact CD1-CB 4.48Å; G681-H685 PolarHBondContact O-N 2.83Å; Q682-H685 PolarHBondContact O-N 3.46Å; Q682-H685 VanDerWaalsContact O-N 3.16Å; H685-Y688 WeakPolarHBondContact O-CB 3.43Å; H685-Y688 PolarHBondContact O-N 2.72Å; H685-L689 WeakPolarHBondContact O-CG 3.27Å; H685-L689 PolarHBondContact O-N 3.49Å |
| 686 | D | 92 | Very high | 93.4 | Very high | 70 Ų | 70 | 59.7 Ų | 59.7 | 37% | 0.374 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64.2 | -41.7 | 177 | -70.7 | -9.7 | 0 | 0 | 0 | 111.2 | Q682 I684 Y688 L689 E690 | Q682-D686 PolarHBondContact NE2-OD1 3.4Å; Q682-D686 WeakPolarHBondContact O-CB 3.17Å; Q682-D686 PolarHBondContact O-N 3.42Å; I684-D686 VanDerWaalsContact C-N 3.34Å; I684-D686 PolarHBondContact O-N 2.84Å; D686-Y688 VanDerWaalsContact C-N 3.34Å; D686-Y688 PolarHBondContact O-N 2.85Å; D686-L689 PolarHBondContact O-N 2.85Å; D686-E690 WeakPolarHBondContact O-CB 3.45Å; D686-E690 WeakPolarHBondContact O-CG 3.37Å; D686-E690 PolarHBondContact O-N 2.85Å |
| 687 | K | 92.5 | Very high | 93.3 | Very high | 39 Ų | 39 | 56.1 Ų | 56.1 | 17% | 0.17 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.1 | -40.1 | 174.6 | -75.1 | 166.9 | -172.6 | 172.5 | 0 | 112.5 | F638 P683 I684 A691 T757 D759 | F638-K687 HydrophobicContact CB-CB 4.23Å; F638-K687 HydrophobicContact CD1-CB 4.19Å; P683-K687 WeakPolarHBondContact O-CD 3.49Å; P683-K687 VanDerWaalsContact O-CG 3.27Å; P683-K687 WeakPolarHBondContact O-CG 3.49Å; P683-K687 PolarHBondContact O-N 2.81Å; I684-K687 PolarHBondContact O-N 3.14Å; K687-A691 WeakPolarHBondContact O-CB 2.97Å; K687-A691 PolarHBondContact O-N 3.27Å; K687-T757 PolarHBondContact NZ-O 3.48Å; K687-D759 WeakPolarHBondContact CE-OD1 3.39Å; K687-D759 IonicContact NZ-OD1 2.71Å |
| 688 | Y | 92 | Very high | 93.2 | Very high | 60 Ų | 60 | 56.7 Ų | 56.7 | 24% | 0.235 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.7 | -52.6 | 174.7 | 164.1 | -115.3 | 0 | 0 | 0 | 112.1 | L635 F638 I684 H685 D686 E690 A691 E692 | L635-Y688 HydrophobicContact CD2-CD1 3.7Å; L635-Y688 HydrophobicContact CD2-CG 3.6Å; F638-Y688 HydrophobicContact CD2-CD2 4.16Å; F638-Y688 HydrophobicContact CD2-CG 4.43Å; F638-Y688 AromaticContact CE2-CD2 3.61Å; F638-Y688 HydrophobicContact CE2-CD2 3.61Å; F638-Y688 HydrophobicContact CE2-CG 4.3Å; F638-Y688 HydrophobicContact CZ-CD2 4.02Å; I684-Y688 PolarHBondContact O-N 2.94Å; H685-Y688 WeakPolarHBondContact O-CB 3.43Å; H685-Y688 PolarHBondContact O-N 2.72Å; D686-Y688 VanDerWaalsContact C-N 3.34Å; D686-Y688 PolarHBondContact O-N 2.85Å; Y688-E690 VanDerWaalsContact C-N 3.29Å; Y688-E690 PolarHBondContact O-N 3Å; Y688-A691 PolarHBondContact O-N 2.7Å; Y688-E692 HydrophobicContact CD2-CG 3.97Å; Y688-E692 HydrophobicContact CE2-CG 3.41Å; Y688-E692 VanDerWaalsContact CE2-CG 3.41Å; Y688-E692 PolarHBondContact O-N 3.12Å |
| 689 | L | 91.5 | Very high | 93.1 | Very high | 79 Ų | 79 | 59.7 Ų | 59.7 | 41% | 0.414 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -57 | -43.8 | 176.5 | -70.2 | 176.2 | 0 | 0 | 0 | 111.8 | H685 D686 A691 E692 E693 | H685-L689 WeakPolarHBondContact O-CG 3.27Å; H685-L689 PolarHBondContact O-N 3.49Å; D686-L689 PolarHBondContact O-N 2.85Å; L689-A691 VanDerWaalsContact C-N 3.3Å; L689-A691 PolarHBondContact O-N 3.25Å; L689-E692 PolarHBondContact O-N 2.77Å; L689-E693 WeakPolarHBondContact O-CB 3.29Å; L689-E693 PolarHBondContact O-N 3.1Å |
| 690 | E | 93.3 | Very high | 93 | Very high | 33 Ų | 33 | 54.4 Ų | 54.4 | 15% | 0.154 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.9 | -33.4 | 174.8 | -93.3 | -74.5 | 156.6 | 0 | 0 | 112.7 | D686 Y688 R694 P760 K763 V764 | D686-E690 WeakPolarHBondContact O-CB 3.45Å; D686-E690 WeakPolarHBondContact O-CG 3.37Å; D686-E690 PolarHBondContact O-N 2.85Å; Y688-E690 VanDerWaalsContact C-N 3.29Å; Y688-E690 PolarHBondContact O-N 3Å; E690-R694 WeakPolarHBondContact O-CB 3.23Å; E690-R694 VanDerWaalsContact O-CZ 3.28Å; E690-R694 PolarHBondContact O-N 2.95Å; E690-R694 PolarHBondContact O-NH1 2.93Å; E690-R694 PolarHBondContact O-NH2 2.77Å; E690-R694 IonicContact OE2-CZ 2.87Å; E690-R694 IonicContact OE2-NE 2.72Å; E690-R694 IonicContact OE2-NH2 2.73Å; E690-R694 PolarHBondContact OE2-NH2 2.58Å; E690-P760 HydrophobicContact CG-CG 4.5Å; E690-K763 WeakPolarHBondContact OE1-CA 3.34Å; E690-K763 WeakPolarHBondContact OE1-CB 3.43Å; E690-K763 VanDerWaalsContact OE2-CA 3.28Å; E690-K763 WeakPolarHBondContact OE2-CA 3.34Å; E690-V764 VanDerWaalsContact CD-N 3.34Å; E690-V764 WeakPolarHBondContact OE1-CB 3.47Å; E690-V764 PolarHBondContact OE1-N 2.91Å; E690-V764 PolarHBondContact OE2-N 3.18Å |
| 691 | A | 90.4 | Very high | 93 | Very high | 20 Ų | 20 | 51.1 Ų | 51.1 | 17% | 0.165 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -76.9 | -35.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | F638 K687 Y688 L689 P695 | F638-A691 HydrophobicContact CD1-CB 4.42Å; F638-A691 HydrophobicContact CE1-CB 3.4Å; F638-A691 HydrophobicContact CZ-CB 3.85Å; K687-A691 WeakPolarHBondContact O-CB 2.97Å; K687-A691 PolarHBondContact O-N 3.27Å; Y688-A691 PolarHBondContact O-N 2.7Å; L689-A691 VanDerWaalsContact C-N 3.3Å; L689-A691 PolarHBondContact O-N 3.25Å; A691-P695 WeakPolarHBondContact O-CD 3.31Å |
| 692 | E | 91.3 | Very high | 93.1 | Very high | 93 Ų | 93 | 51.8 Ų | 51.8 | 44% | 0.435 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -70.2 | -39.5 | 175.7 | -74.3 | -68 | 134.7 | 0 | 0 | 112.8 | Y688 L689 K696 | Y688-E692 HydrophobicContact CD2-CG 3.97Å; Y688-E692 HydrophobicContact CE2-CG 3.41Å; Y688-E692 VanDerWaalsContact CE2-CG 3.41Å; Y688-E692 PolarHBondContact O-N 3.12Å; L689-E692 PolarHBondContact O-N 2.77Å; E692-K696 VanDerWaalsContact O-CE 3.22Å; E692-K696 WeakPolarHBondContact O-CE 3.23Å |
| 693 | E | 93.2 | Very high | 93.2 | Very high | 67 Ų | 67 | 54.5 Ų | 54.5 | 31% | 0.313 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -88.7 | -22.2 | -174.6 | -76.8 | -68 | 111.9 | 0 | 0 | 114.1 | L689 K696 A697 V764 K768 | L689-E693 WeakPolarHBondContact O-CB 3.29Å; L689-E693 PolarHBondContact O-N 3.1Å; E693-K696 PolarHBondContact O-N 2.77Å; E693-K696 WeakPolarHBondContact OE1-CD 3.41Å; E693-K696 IonicContact OE1-NZ 3.17Å; E693-K696 PolarHBondContact OE1-NZ 2.83Å; E693-A697 PolarHBondContact O-N 3.27Å; E693-V764 HydrophobicContact CB-CG1 4.23Å; E693-V764 HydrophobicContact CB-CG2 3.7Å; E693-K768 IonicContact OE2-NZ 3.27Å |
| 694 | R | 93.9 | Very high | 93.2 | Very high | 18 Ų | 18 | 52.8 Ų | 52.8 | 7% | 0.068 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65 | -42.2 | -178.2 | -172 | -172.1 | -55.5 | 95.7 | 20.6 | 114.1 | E690 K696 A697 F698 V762 V764 I767 | E690-R694 WeakPolarHBondContact O-CB 3.23Å; E690-R694 VanDerWaalsContact O-CZ 3.28Å; E690-R694 PolarHBondContact O-N 2.95Å; E690-R694 PolarHBondContact O-NH1 2.93Å; E690-R694 PolarHBondContact O-NH2 2.77Å; E690-R694 IonicContact OE2-CZ 2.87Å; E690-R694 IonicContact OE2-NE 2.72Å; E690-R694 IonicContact OE2-NH2 2.73Å; E690-R694 PolarHBondContact OE2-NH2 2.58Å; R694-K696 VanDerWaalsContact C-N 3.32Å; R694-K696 PolarHBondContact O-N 3.04Å; R694-A697 PolarHBondContact O-N 3.32Å; R694-F698 HydrophobicContact CG-CD2 3.76Å; R694-F698 HydrophobicContact CG-CE2 3.73Å; R694-F698 PolarHBondContact O-N 3.24Å; R694-V762 PolarHBondContact NE-O 3.4Å; R694-V764 HydrophobicContact CB-CG2 4.03Å; R694-I767 HydrophobicContact CG-CD1 3.51Å |
| 695 | P | 92.9 | Very high | 93.2 | Very high | 80 Ų | 80 | 52.3 Ų | 52.3 | 52% | 0.519 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -56.3 | -46.4 | 174.5 | -26.4 | 35.5 | 0 | 0 | 0 | 112 | A691 A697 F698 E699 | A691-P695 WeakPolarHBondContact O-CD 3.31Å; P695-A697 VanDerWaalsContact C-N 3.35Å; P695-A697 PolarHBondContact O-N 2.97Å; P695-F698 PolarHBondContact O-N 3.47Å; P695-E699 WeakPolarHBondContact O-CB 3.19Å; P695-E699 PolarHBondContact O-N 2.88Å |
| 696 | K | 94.4 | Very high | 93.3 | Very high | 102 Ų | 102 | 56.1 Ų | 56.1 | 44% | 0.443 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -62.9 | -40 | 178.9 | -51.7 | 171.9 | -161.3 | 162.7 | 0 | 111.8 | E692 E693 R694 E699 E700 | E692-K696 VanDerWaalsContact O-CE 3.22Å; E692-K696 WeakPolarHBondContact O-CE 3.23Å; E693-K696 PolarHBondContact O-N 2.77Å; E693-K696 WeakPolarHBondContact OE1-CD 3.41Å; E693-K696 IonicContact OE1-NZ 3.17Å; E693-K696 PolarHBondContact OE1-NZ 2.83Å; R694-K696 VanDerWaalsContact C-N 3.32Å; R694-K696 PolarHBondContact O-N 3.04Å; K696-E699 PolarHBondContact O-N 3.04Å; K696-E700 PolarHBondContact O-N 2.66Å; K696-E700 VanDerWaalsContact O-N 3.15Å |
| 697 | A | 94.1 | Very high | 93.4 | Very high | 5 Ų | 5 | 56.3 Ų | 56.3 | 4% | 0.041 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -67.1 | -39.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | E693 R694 P695 L701 V764 I767 K768 | E693-A697 PolarHBondContact O-N 3.27Å; R694-A697 PolarHBondContact O-N 3.32Å; P695-A697 VanDerWaalsContact C-N 3.35Å; P695-A697 PolarHBondContact O-N 2.97Å; A697-L701 PolarHBondContact O-N 2.99Å; A697-V764 HydrophobicContact CB-CG1 4.31Å; A697-I767 HydrophobicContact CB-CB 4.12Å; A697-I767 HydrophobicContact CB-CD1 4.28Å; A697-I767 HydrophobicContact CB-CG2 3.91Å; A697-I767 WeakPolarHBondContact O-CG2 3.22Å; A697-K768 HydrophobicContact CB-CG 4.39Å |
| 698 | F | 95 | Very high | 93.5 | Very high | 12 Ų | 12 | 54.5 Ų | 54.5 | 5% | 0.053 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -70 | -36.8 | 174.2 | -87.3 | -46.8 | 0 | 0 | 0 | 112.7 | R694 P695 L701 G702 W743 M744 K747 M748 V762 I767 | R694-F698 HydrophobicContact CG-CD2 3.76Å; R694-F698 HydrophobicContact CG-CE2 3.73Å; R694-F698 PolarHBondContact O-N 3.24Å; P695-F698 PolarHBondContact O-N 3.47Å; F698-L701 HydrophobicContact CD1-CD2 4.5Å; F698-L701 PolarHBondContact O-N 3.33Å; F698-G702 PolarHBondContact O-N 3.23Å; F698-W743 HydrophobicContact CE1-CZ3 4.35Å; F698-M744 HydrophobicContact CB-CE 4.14Å; F698-M744 HydrophobicContact CD1-CE 4.32Å; F698-M744 HydrophobicContact CD1-CG 3.86Å; F698-M744 HydrophobicContact CE1-CG 4.08Å; F698-M744 WeakPolarHBondContact O-CE 3.49Å; F698-K747 HydrophobicContact CZ-CB 4.14Å; F698-M748 HydrophobicContact CD2-CG 4.46Å; F698-M748 HydrophobicContact CE2-CB 4.06Å; F698-M748 HydrophobicContact CE2-CG 4.28Å; F698-M748 HydrophobicContact CZ-CB 4.03Å; F698-V762 HydrophobicContact CE2-CG1 4.24Å; F698-V762 HydrophobicContact CZ-CG1 3.76Å; F698-I767 HydrophobicContact CD1-CD1 3.82Å; F698-I767 HydrophobicContact CD1-CG1 4.25Å; F698-I767 HydrophobicContact CD1-CG2 4.06Å; F698-I767 HydrophobicContact CD2-CD1 3.87Å; F698-I767 HydrophobicContact CE1-CD1 3.71Å; F698-I767 HydrophobicContact CE1-CG1 3.96Å; F698-I767 HydrophobicContact CE1-CG2 4.48Å; F698-I767 HydrophobicContact CE2-CD1 3.76Å; F698-I767 HydrophobicContact CG-CD1 3.9Å; F698-I767 HydrophobicContact CZ-CD1 3.69Å; F698-I767 HydrophobicContact CZ-CG1 4.25Å |
| 699 | E | 94.2 | Very high | 93.4 | Very high | 145 Ų | 145 | 54 Ų | 54 | 68% | 0.678 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -60.7 | -47.1 | 175.8 | -175.3 | 177.4 | -172.8 | 0 | 0 | 111.2 | P695 K696 L701 G702 R703 | P695-E699 WeakPolarHBondContact O-CB 3.19Å; P695-E699 PolarHBondContact O-N 2.88Å; K696-E699 PolarHBondContact O-N 3.04Å; E699-L701 PolarHBondContact O-N 3.49Å; E699-G702 PolarHBondContact O-N 3.28Å; E699-R703 WeakPolarHBondContact O-CB 3.45Å; E699-R703 PolarHBondContact O-N 2.92Å |
| 700 | E | 93.9 | Very high | 93.5 | Very high | 65 Ų | 65 | 56.5 Ų | 56.5 | 30% | 0.304 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64.3 | -39.4 | 175.8 | 174.3 | 56.3 | -162.7 | 0 | 0 | 112.6 | K696 R703 Q704 T771 | K696-E700 PolarHBondContact O-N 2.66Å; K696-E700 VanDerWaalsContact O-N 3.15Å; E700-R703 PolarHBondContact O-N 2.95Å; E700-R703 IonicContact OE1-CZ 2.77Å; E700-R703 IonicContact OE1-NE 3.21Å; E700-R703 IonicContact OE1-NH2 2.66Å; E700-R703 PolarHBondContact OE1-NH2 3.11Å; E700-R703 IonicContact OE2-CZ 3.83Å; E700-R703 IonicContact OE2-NE 2.61Å; E700-R703 PolarHBondContact OE2-NE 3.37Å; E700-R703 IonicContact OE2-NH2 2.72Å; E700-R703 PolarHBondContact OE2-NH2 2.75Å; E700-Q704 PolarHBondContact O-N 3.49Å; E700-Q704 VanDerWaalsContact O-N 3.09Å; E700-Q704 PolarHBondContact OE1-NE2 3.25Å; E700-T771 HydrophobicContact CG-CG2 4.35Å |
| 701 | L | 94.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.6 | -47 | 172.8 | 178.1 | 58.2 | 0 | 0 | 0 | 111.2 | A697 F698 E699 R703 Q704 I705 W743 M744 I767 L774 | A697-L701 PolarHBondContact O-N 2.99Å; F698-L701 HydrophobicContact CD1-CD2 4.5Å; F698-L701 PolarHBondContact O-N 3.33Å; E699-L701 PolarHBondContact O-N 3.49Å; L701-R703 VanDerWaalsContact C-N 3.34Å; L701-R703 PolarHBondContact O-N 3.29Å; L701-Q704 PolarHBondContact O-N 2.9Å; L701-I705 HydrophobicContact CD1-CD1 4Å; L701-I705 HydrophobicContact CD1-CG1 4.3Å; L701-I705 HydrophobicContact CG-CD1 3.85Å; L701-I705 VanDerWaalsContact O-CG1 3.31Å; L701-I705 WeakPolarHBondContact O-CG1 3.18Å; L701-I705 PolarHBondContact O-N 3.06Å; L701-W743 HydrophobicContact CD2-CE3 4.13Å; L701-W743 HydrophobicContact CD2-CZ3 3.81Å; L701-M744 HydrophobicContact CB-SD 4.36Å; L701-M744 HydrophobicContact CD2-CB 4.08Å; L701-M744 HydrophobicContact CD2-CG 4.26Å; L701-M744 HydrophobicContact CD2-SD 4.16Å; L701-M744 HydrophobicContact CG-SD 4.01Å; L701-I767 HydrophobicContact CB-CG2 4.18Å; L701-I767 HydrophobicContact CD2-CG2 4.01Å; L701-L774 HydrophobicContact CD1-CD2 4.17Å |
| 702 | G | 94.3 | Very high | 93.2 | Very high | 14 Ų | 14 | 55 Ų | 55 | 14% | 0.144 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.3 | -40.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | F698 E699 I705 Q706 | F698-G702 PolarHBondContact O-N 3.23Å; E699-G702 PolarHBondContact O-N 3.28Å; G702-I705 PolarHBondContact O-N 3.43Å; G702-Q706 WeakPolarHBondContact O-CB 3.42Å; G702-Q706 WeakPolarHBondContact O-CG 3.44Å; G702-Q706 PolarHBondContact O-N 2.85Å |
| 703 | R | 95.3 | Very high | 93.1 | Very high | 135 Ų | 135 | 55.8 Ų | 55.8 | 51% | 0.509 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -61.7 | -43 | 175.6 | -168.2 | -175.2 | 69.8 | 81.2 | 5.3 | 111.8 | E699 E700 L701 M707 | E699-R703 WeakPolarHBondContact O-CB 3.45Å; E699-R703 PolarHBondContact O-N 2.92Å; E700-R703 PolarHBondContact O-N 2.95Å; E700-R703 IonicContact OE1-CZ 2.77Å; E700-R703 IonicContact OE1-NE 3.21Å; E700-R703 IonicContact OE1-NH2 2.66Å; E700-R703 PolarHBondContact OE1-NH2 3.11Å; E700-R703 IonicContact OE2-CZ 3.83Å; E700-R703 IonicContact OE2-NE 2.61Å; E700-R703 PolarHBondContact OE2-NE 3.37Å; E700-R703 IonicContact OE2-NH2 2.72Å; E700-R703 PolarHBondContact OE2-NH2 2.75Å; L701-R703 VanDerWaalsContact C-N 3.34Å; L701-R703 PolarHBondContact O-N 3.29Å; R703-M707 WeakPolarHBondContact O-CB 3.45Å; R703-M707 PolarHBondContact O-N 3.39Å |
| 704 | Q | 93.1 | Very high | 92.9 | Very high | 24 Ų | 24 | 54.1 Ų | 54.1 | 11% | 0.112 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -70.5 | -40.4 | 176 | -67.3 | -161.4 | 24.8 | 0 | 0 | 112.5 | E700 L701 Q706 M707 Y708 T771 | E700-Q704 PolarHBondContact O-N 3.49Å; E700-Q704 VanDerWaalsContact O-N 3.09Å; E700-Q704 PolarHBondContact OE1-NE2 3.25Å; L701-Q704 PolarHBondContact O-N 2.9Å; Q704-Q706 PolarHBondContact O-N 3.47Å; Q704-M707 WeakPolarHBondContact O-CB 3.41Å; Q704-M707 PolarHBondContact O-N 3.31Å; Q704-Y708 HydrophobicContact CB-CE2 4.29Å; Q704-Y708 WeakPolarHBondContact O-CD2 3.16Å; Q704-Y708 PolarHBondContact O-N 2.91Å; Q704-T771 HydrophobicContact CG-CG2 4.26Å |
| 705 | I | 94.2 | Very high | 92.6 | Very high | 2 Ų | 2 | 55.2 Ų | 55.2 | 1% | 0.01 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -55.8 | -52 | 172.2 | -72.2 | 167.3 | 0 | 0 | 0 | 110.2 | L701 G702 M707 Y708 M709 V737 A740 M741 M744 L774 | L701-I705 HydrophobicContact CD1-CD1 4Å; L701-I705 HydrophobicContact CD1-CG1 4.3Å; L701-I705 HydrophobicContact CG-CD1 3.85Å; L701-I705 VanDerWaalsContact O-CG1 3.31Å; L701-I705 WeakPolarHBondContact O-CG1 3.18Å; L701-I705 PolarHBondContact O-N 3.06Å; G702-I705 PolarHBondContact O-N 3.43Å; I705-M707 VanDerWaalsContact C-N 3.3Å; I705-M707 PolarHBondContact O-N 2.86Å; I705-Y708 PolarHBondContact O-N 3.41Å; I705-M709 HydrophobicContact CG2-CG 4.42Å; I705-M709 HydrophobicContact CG2-SD 4.22Å; I705-M709 WeakPolarHBondContact O-CG 3.45Å; I705-M709 PolarHBondContact O-N 2.93Å; I705-V737 HydrophobicContact CG2-CG1 4.04Å; I705-A740 HydrophobicContact CD1-CB 4.05Å; I705-A740 HydrophobicContact CG1-CB 4.18Å; I705-M741 HydrophobicContact CD1-CB 4.48Å; I705-M741 HydrophobicContact CG2-CB 4.09Å; I705-M741 HydrophobicContact CG2-CE 3.62Å; I705-M744 HydrophobicContact CD1-CB 4.39Å; I705-M744 HydrophobicContact CD1-SD 3.9Å; I705-L774 HydrophobicContact CD1-CD2 4.49Å; I705-L774 HydrophobicContact CG1-CD2 3.48Å; I705-L774 VanDerWaalsContact CG1-CD2 3.48Å |
| 706 | Q | 93.6 | Very high | 92.3 | Very high | 116 Ų | 116 | 57.6 Ų | 57.6 | 54% | 0.542 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61.3 | -35.1 | 178 | -74.1 | -179.8 | 1 | 0 | 0 | 113.2 | G702 Q704 K710 | G702-Q706 WeakPolarHBondContact O-CB 3.42Å; G702-Q706 WeakPolarHBondContact O-CG 3.44Å; G702-Q706 PolarHBondContact O-N 2.85Å; Q704-Q706 PolarHBondContact O-N 3.47Å; Q706-K710 WeakPolarHBondContact O-CG 3.04Å; Q706-K710 PolarHBondContact O-N 3.37Å; Q706-K710 VanDerWaalsContact O-N 3.11Å |
| 707 | M | 94.1 | Very high | 92 | Very high | 74 Ų | 74 | 56.4 Ų | 56.4 | 37% | 0.365 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.5 | -49.7 | 175.3 | -171.7 | -172.2 | 79.4 | 0 | 0 | 111.1 | R703 Q704 I705 K710 I711 | R703-M707 WeakPolarHBondContact O-CB 3.45Å; R703-M707 PolarHBondContact O-N 3.39Å; Q704-M707 WeakPolarHBondContact O-CB 3.41Å; Q704-M707 PolarHBondContact O-N 3.31Å; I705-M707 VanDerWaalsContact C-N 3.3Å; I705-M707 PolarHBondContact O-N 2.86Å; M707-K710 PolarHBondContact O-N 3.4Å; M707-I711 HydrophobicContact CG-CD1 4.45Å; M707-I711 WeakPolarHBondContact O-CG1 3.49Å; M707-I711 PolarHBondContact O-N 3.23Å |
| 708 | Y | 93.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -70 | -35.7 | 179.2 | -62.3 | -58.2 | 0 | 0 | 0 | 112.6 | Q704 I705 K710 I711 V712 V737 L774 Y775 C778 V782 | Q704-Y708 HydrophobicContact CB-CE2 4.29Å; Q704-Y708 WeakPolarHBondContact O-CD2 3.16Å; Q704-Y708 PolarHBondContact O-N 2.91Å; I705-Y708 PolarHBondContact O-N 3.41Å; Y708-K710 PolarHBondContact O-N 3.35Å; Y708-I711 HydrophobicContact CD1-CD1 4.41Å; Y708-I711 PolarHBondContact O-N 3Å; Y708-V712 WeakPolarHBondContact O-CG2 3.15Å; Y708-V712 PolarHBondContact O-N 2.91Å; Y708-V737 VanDerWaalsContact CB-CG2 3.42Å; Y708-V737 HydrophobicContact CD2-CG2 4.4Å; Y708-V737 HydrophobicContact CG-CG2 4.23Å; Y708-L774 HydrophobicContact CD2-CD2 4.22Å; Y708-L774 HydrophobicContact CD2-CG 4.11Å; Y708-L774 HydrophobicContact CE2-CD2 4.4Å; Y708-L774 HydrophobicContact CE2-CG 4.09Å; Y708-Y775 VanDerWaalsContact OH-CD2 3.31Å; Y708-Y775 WeakPolarHBondContact OH-CD2 3.27Å; Y708-C778 HydrophobicContact CD1-CB 3.76Å; Y708-C778 HydrophobicContact CD2-CB 3.96Å; Y708-C778 HydrophobicContact CE1-CB 3.74Å; Y708-C778 HydrophobicContact CE2-CB 3.94Å; Y708-C778 HydrophobicContact CG-CB 3.9Å; Y708-V782 HydrophobicContact CD1-CG1 4.31Å; Y708-V782 HydrophobicContact CD1-CG2 3.91Å; Y708-V782 HydrophobicContact CE1-CG2 3.72Å |
| 709 | M | 91.6 | Very high | 91 | Very high | 49 Ų | 49 | 65.7 Ų | 65.7 | 24% | 0.241 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -55.9 | -49.5 | 172.1 | -74 | -173.7 | 77 | 0 | 0 | 111.6 | I705 I711 V712 E713 V737 M741 | I705-M709 HydrophobicContact CG2-CG 4.42Å; I705-M709 HydrophobicContact CG2-SD 4.22Å; I705-M709 WeakPolarHBondContact O-CG 3.45Å; I705-M709 PolarHBondContact O-N 2.93Å; M709-I711 VanDerWaalsContact C-N 3.26Å; M709-I711 PolarHBondContact O-N 3.5Å; M709-V712 CarbonylContact O-C 3.32Å; M709-V712 PolarHBondContact O-N 3.46Å; M709-V712 VanDerWaalsContact O-N 3.11Å; M709-E713 WeakPolarHBondContact O-CG 3.39Å; M709-E713 PolarHBondContact O-N 3.5Å; M709-V737 HydrophobicContact CG-CG1 3.42Å; M709-V737 VanDerWaalsContact CG-CG1 3.42Å; M709-M741 HydrophobicContact CE-CE 4.3Å; M709-M741 HydrophobicContact SD-CE 3.34Å; M709-M741 WeakPolarHBondContact SD-CE 3.37Å |
| 710 | K | 92 | Very high | 90.2 | Very high | 132 Ų | 132 | 66.2 Ų | 66.2 | 57% | 0.574 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -61.5 | -33 | 179.4 | -75.4 | 177.3 | 178.2 | -179.3 | 0 | 113.1 | Q706 M707 Y708 S714 | Q706-K710 WeakPolarHBondContact O-CG 3.04Å; Q706-K710 PolarHBondContact O-N 3.37Å; Q706-K710 VanDerWaalsContact O-N 3.11Å; M707-K710 PolarHBondContact O-N 3.4Å; Y708-K710 PolarHBondContact O-N 3.35Å; K710-S714 WeakPolarHBondContact O-CB 3.36Å; K710-S714 PolarHBondContact O-N 3.42Å; K710-S714 PolarHBondContact O-OG 2.88Å |
| 711 | I | 89.2 | Confident | 89.5 | Confident | 19 Ų | 19 | 68.8 Ų | 68.8 | 10% | 0.097 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -70.2 | -42.6 | 175.2 | -64.2 | 165 | 0 | 0 | 0 | 110.6 | M707 Y708 M709 E713 S714 Y715 Y722 V782 | M707-I711 HydrophobicContact CG-CD1 4.45Å; M707-I711 WeakPolarHBondContact O-CG1 3.49Å; M707-I711 PolarHBondContact O-N 3.23Å; Y708-I711 HydrophobicContact CD1-CD1 4.41Å; Y708-I711 PolarHBondContact O-N 3Å; M709-I711 VanDerWaalsContact C-N 3.26Å; M709-I711 PolarHBondContact O-N 3.5Å; I711-E713 VanDerWaalsContact C-N 3.33Å; I711-E713 PolarHBondContact O-N 3.09Å; I711-S714 PolarHBondContact O-N 3.27Å; I711-Y715 WeakPolarHBondContact O-CB 3.33Å; I711-Y715 PolarHBondContact O-N 3.46Å; I711-Y722 HydrophobicContact CB-CE1 4.43Å; I711-Y722 HydrophobicContact CG1-CE1 4.17Å; I711-Y722 HydrophobicContact CG2-CD1 3.56Å; I711-Y722 HydrophobicContact CG2-CD2 4.48Å; I711-Y722 HydrophobicContact CG2-CE1 3.52Å; I711-Y722 HydrophobicContact CG2-CE2 4.46Å; I711-Y722 HydrophobicContact CG2-CG 4.05Å; I711-V782 HydrophobicContact CB-CG1 4.42Å; I711-V782 HydrophobicContact CD1-CB 4.1Å; I711-V782 HydrophobicContact CD1-CG1 4.42Å; I711-V782 HydrophobicContact CD1-CG2 4Å; I711-V782 HydrophobicContact CG2-CB 3.94Å; I711-V782 HydrophobicContact CG2-CG1 3.75Å |
| 712 | V | 88.7 | Confident | 88.9 | Confident | 3 Ų | 3 | 70.5 Ų | 70.5 | 2% | 0.018 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -64 | -37.4 | 174.1 | 171.5 | 0 | 0 | 0 | 0 | 111.6 | Y708 M709 K716 V730 V733 D734 | Y708-V712 WeakPolarHBondContact O-CG2 3.15Å; Y708-V712 PolarHBondContact O-N 2.91Å; M709-V712 CarbonylContact O-C 3.32Å; M709-V712 PolarHBondContact O-N 3.46Å; M709-V712 VanDerWaalsContact O-N 3.11Å; V712-K716 HydrophobicContact CG1-CD 4.02Å; V712-K716 VanDerWaalsContact CG1-CE 3.47Å; V712-K716 WeakPolarHBondContact O-CB 3.41Å; V712-K716 WeakPolarHBondContact O-CD 3.45Å; V712-K716 VanDerWaalsContact O-CG 3.26Å; V712-K716 WeakPolarHBondContact O-CG 3.41Å; V712-K716 PolarHBondContact O-N 3.27Å; V712-V730 HydrophobicContact CG2-CG1 4.19Å; V712-V733 HydrophobicContact CG2-CB 4.47Å; V712-V733 HydrophobicContact CG2-CG1 3.82Å; V712-D734 HydrophobicContact CG1-CB 3.88Å; V712-D734 HydrophobicContact CG2-CB 4.32Å |
| 713 | E | 88.7 | Confident | 88.3 | Confident | 110 Ų | 110 | 73.3 Ų | 73.3 | 51% | 0.514 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -66.7 | -44 | 173.6 | -73 | 171.6 | 174 | 0 | 0 | 111.8 | M709 I711 Y715 K716 A717 | M709-E713 WeakPolarHBondContact O-CG 3.39Å; M709-E713 PolarHBondContact O-N 3.5Å; I711-E713 VanDerWaalsContact C-N 3.33Å; I711-E713 PolarHBondContact O-N 3.09Å; E713-Y715 VanDerWaalsContact C-N 3.34Å; E713-Y715 PolarHBondContact O-N 3.43Å; E713-K716 PolarHBondContact O-N 2.83Å; E713-A717 WeakPolarHBondContact O-CB 3.37Å; E713-A717 PolarHBondContact O-N 3.49Å |
| 714 | S | 88.9 | Confident | 87.6 | Confident | 32 Ų | 32 | 69.5 Ų | 69.5 | 22% | 0.224 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -62 | -41.2 | 175.1 | -58.4 | 0 | 0 | 0 | 0 | 111.6 | K710 I711 A717 K718 D719 | K710-S714 WeakPolarHBondContact O-CB 3.36Å; K710-S714 PolarHBondContact O-N 3.42Å; K710-S714 PolarHBondContact O-OG 2.88Å; I711-S714 PolarHBondContact O-N 3.27Å; S714-A717 CarbonylContact O-C 3.59Å; S714-A717 PolarHBondContact O-N 3.34Å; S714-K718 PolarHBondContact O-N 3.18Å; S714-K718 VanDerWaalsContact O-N 3.17Å; S714-D719 WeakPolarHBondContact O-CB 3.46Å; S714-D719 PolarHBondContact O-N 2.87Å |
| 715 | Y | 88.2 | Confident | 87.2 | Confident | 40 Ų | 40 | 68.9 Ų | 68.9 | 16% | 0.157 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -58.3 | -50.9 | 171.6 | -178.7 | -98.8 | 0 | 0 | 0 | 112.1 | I711 E713 A717 K718 Y722 L725 E727 V730 | I711-Y715 WeakPolarHBondContact O-CB 3.33Å; I711-Y715 PolarHBondContact O-N 3.46Å; E713-Y715 VanDerWaalsContact C-N 3.34Å; E713-Y715 PolarHBondContact O-N 3.43Å; Y715-A717 PolarHBondContact O-N 2.82Å; Y715-K718 PolarHBondContact O-N 2.87Å; Y715-Y722 WeakPolarHBondContact CD2-O 3.31Å; Y715-L725 HydrophobicContact CD2-CB 4.1Å; Y715-L725 HydrophobicContact CE2-CB 3.84Å; Y715-L725 VanDerWaalsContact CE2-O 3.23Å; Y715-L725 WeakPolarHBondContact CE2-O 3.46Å; Y715-L725 PolarHBondContact OH-O 3.42Å; Y715-E727 WeakPolarHBondContact OH-CA 3.42Å; Y715-E727 PolarHBondContact OH-N 3.45Å; Y715-V730 HydrophobicContact CD1-CB 4.14Å; Y715-V730 HydrophobicContact CD1-CG1 3.57Å; Y715-V730 HydrophobicContact CD1-CG2 4.36Å; Y715-V730 HydrophobicContact CD2-CG2 4.09Å; Y715-V730 HydrophobicContact CE1-CB 4.06Å; Y715-V730 HydrophobicContact CE1-CG1 3.99Å; Y715-V730 HydrophobicContact CE1-CG2 4.31Å; Y715-V730 HydrophobicContact CE2-CG2 4.06Å; Y715-V730 HydrophobicContact CG-CB 4.45Å; Y715-V730 HydrophobicContact CG-CG1 3.85Å; Y715-V730 HydrophobicContact CG-CG2 4.24Å |
| 716 | K | 86.6 | Confident | 86.9 | Confident | 130 Ų | 130 | 72.6 Ų | 72.6 | 57% | 0.565 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -62.6 | -26.5 | 177.6 | -71.6 | 166.3 | -178.5 | 172.5 | 0 | 112.7 | V712 E713 K718 D734 | V712-K716 HydrophobicContact CG1-CD 4.02Å; V712-K716 VanDerWaalsContact CG1-CE 3.47Å; V712-K716 WeakPolarHBondContact O-CB 3.41Å; V712-K716 WeakPolarHBondContact O-CD 3.45Å; V712-K716 VanDerWaalsContact O-CG 3.26Å; V712-K716 WeakPolarHBondContact O-CG 3.41Å; V712-K716 PolarHBondContact O-N 3.27Å; E713-K716 PolarHBondContact O-N 2.83Å; K716-K718 VanDerWaalsContact C-N 3.33Å; K716-D734 IonicContact NZ-OD1 3.25Å; K716-D734 IonicContact NZ-OD2 3.57Å; K716-D734 PolarHBondContact NZ-OD2 3.46Å |
| 717 | A | 88.3 | Confident | 86.4 | Confident | 78 Ų | 78 | 73.8 Ų | 73.8 | 65% | 0.645 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -2.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | E713 S714 Y715 D719 | E713-A717 WeakPolarHBondContact O-CB 3.37Å; E713-A717 PolarHBondContact O-N 3.49Å; S714-A717 CarbonylContact O-C 3.59Å; S714-A717 PolarHBondContact O-N 3.34Å; Y715-A717 PolarHBondContact O-N 2.82Å; A717-D719 VanDerWaalsContact C-N 3.31Å |
| 718 | K | 84.5 | Confident | 86 | Confident | 144 Ų | 144 | 76.8 Ų | 76.8 | 63% | 0.626 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.8 | 39.7 | -172.7 | -56.8 | -173.1 | 152.8 | -73 | 0 | 113.5 | S714 Y715 K716 E720 D723 | S714-K718 PolarHBondContact O-N 3.18Å; S714-K718 VanDerWaalsContact O-N 3.17Å; Y715-K718 PolarHBondContact O-N 2.87Å; K716-K718 VanDerWaalsContact C-N 3.33Å; K718-E720 PolarHBondContact O-N 3.15Å; K718-D723 WeakPolarHBondContact CG-OD1 3.47Å; K718-D723 IonicContact NZ-OD1 2.75Å; K718-D723 PolarHBondContact NZ-OD1 2.73Å; K718-D723 IonicContact NZ-OD2 2.65Å |
| 719 | D | 83.1 | Confident | 85.7 | Confident | 67 Ų | 67 | 79.7 Ų | 79.7 | 36% | 0.358 | 39% | 0.393 | S | S | . | . | trans | -55.8 | 126.9 | 166.6 | -172.4 | -42.6 | 0 | 0 | 0 | 109.1 | S714 A717 Q721 Y722 D723 | S714-D719 WeakPolarHBondContact O-CB 3.46Å; S714-D719 PolarHBondContact O-N 2.87Å; A717-D719 VanDerWaalsContact C-N 3.31Å; D719-Q721 PolarHBondContact O-N 2.92Å; D719-Q721 WeakPolarHBondContact OD1-CB 3.44Å; D719-Q721 PolarHBondContact OD1-N 3.47Å; D719-Y722 HydrophobicContact CB-CD2 4.36Å; D719-Y722 PolarHBondContact O-N 3.31Å; D719-D723 PolarHBondContact O-N 2.75Å | ||
| 720 | E | 77.6 | Confident | 85.4 | Confident | 157 Ų | 157 | 77.7 Ų | 77.7 | 73% | 0.734 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.7 | -32.3 | 179.7 | -78 | -164.9 | -163.8 | 0 | 0 | 112.3 | K718 Y722 K786 | K718-E720 PolarHBondContact O-N 3.15Å; E720-Y722 PolarHBondContact O-N 3.21Å; E720-K786 WeakPolarHBondContact O-CE 3.5Å; E720-K786 PolarHBondContact O-NZ 3.45Å |
| 721 | Q | 78.8 | Confident | 85.3 | Confident | 118 Ų | 118 | 75.2 Ų | 75.2 | 55% | 0.551 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -22 | -178.3 | -176.2 | 170.2 | -13.6 | 0 | 0 | 113.1 | D719 H724 | D719-Q721 PolarHBondContact O-N 2.92Å; D719-Q721 WeakPolarHBondContact OD1-CB 3.44Å; D719-Q721 PolarHBondContact OD1-N 3.47Å; Q721-H724 PolarHBondContact O-CE1 3.03Å |
| 722 | Y | 82.7 | Confident | 85.2 | Confident | 36 Ų | 36 | 82.3 Ų | 82.3 | 14% | 0.141 | 40% | 0.404 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -131 | -18.5 | -170 | -56.5 | -75.5 | 0 | 0 | 0 | 116 | I711 Y715 D719 E720 H724 L725 | I711-Y722 HydrophobicContact CB-CE1 4.43Å; I711-Y722 HydrophobicContact CG1-CE1 4.17Å; I711-Y722 HydrophobicContact CG2-CD1 3.56Å; I711-Y722 HydrophobicContact CG2-CD2 4.48Å; I711-Y722 HydrophobicContact CG2-CE1 3.52Å; I711-Y722 HydrophobicContact CG2-CE2 4.46Å; I711-Y722 HydrophobicContact CG2-CG 4.05Å; Y715-Y722 WeakPolarHBondContact CD2-O 3.31Å; D719-Y722 HydrophobicContact CB-CD2 4.36Å; D719-Y722 PolarHBondContact O-N 3.31Å; E720-Y722 PolarHBondContact O-N 3.21Å; Y722-H724 PolarHBondContact O-N 3.26Å; Y722-L725 HydrophobicContact CD1-CD1 4.13Å; Y722-L725 WeakPolarHBondContact O-CB 3.45Å; Y722-L725 WeakPolarHBondContact O-CG 3.36Å; Y722-L725 PolarHBondContact O-N 3.43Å |
| 723 | D | 81.4 | Confident | 85.3 | Confident | 73 Ų | 73 | 82.3 Ų | 82.3 | 39% | 0.39 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -12.8 | -177.2 | -172.2 | 70.7 | 0 | 0 | 0 | 114.7 | K718 D719 | K718-D723 WeakPolarHBondContact CG-OD1 3.47Å; K718-D723 IonicContact NZ-OD1 2.75Å; K718-D723 PolarHBondContact NZ-OD1 2.73Å; K718-D723 IonicContact NZ-OD2 2.65Å; D719-D723 PolarHBondContact O-N 2.75Å |
| 724 | H | 81.6 | Confident | 85.4 | Confident | 56 Ų | 56 | 79 Ų | 79 | 26% | 0.259 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -4.2 | 173.6 | 71.7 | -83.5 | 0 | 0 | 0 | 115.6 | Q721 Y722 K784 K786 | Q721-H724 PolarHBondContact O-CE1 3.03Å; Y722-H724 PolarHBondContact O-N 3.26Å; H724-K784 PolarHBondContact NE2-O 3.14Å; H724-K786 HydrophobicContact CB-CG 4.33Å; H724-K786 WeakPolarHBondContact ND1-CG 3.44Å |
| 725 | L | 84.9 | Confident | 85.5 | Confident | 10 Ų | 10 | 82.6 Ų | 82.6 | 5% | 0.052 | 40% | 0.403 | C | S | . | . | S | Bend | trans | -77.1 | 149.1 | 179.4 | -63.7 | 178.6 | 0 | 0 | 0 | 111.9 | Y715 Y722 V730 V781 K784 | Y715-L725 HydrophobicContact CD2-CB 4.1Å; Y715-L725 HydrophobicContact CE2-CB 3.84Å; Y715-L725 VanDerWaalsContact CE2-O 3.23Å; Y715-L725 WeakPolarHBondContact CE2-O 3.46Å; Y715-L725 PolarHBondContact OH-O 3.42Å; Y722-L725 HydrophobicContact CD1-CD1 4.13Å; Y722-L725 WeakPolarHBondContact O-CB 3.45Å; Y722-L725 WeakPolarHBondContact O-CG 3.36Å; Y722-L725 PolarHBondContact O-N 3.43Å; L725-V730 HydrophobicContact CB-CG2 3.51Å; L725-V730 HydrophobicContact CD1-CG2 4.01Å; L725-V730 HydrophobicContact CG-CG2 4.42Å; L725-V781 WeakPolarHBondContact CD2-O 3.27Å; L725-K784 HydrophobicContact CD2-CB 3.85Å |
| 726 | D | 86.7 | Confident | 85.6 | Confident | 81 Ų | 81 | 82.6 Ų | 82.6 | 43% | 0.433 | 41% | 0.405 | S | S | . | . | trans | -68.3 | 131.5 | -179.9 | 177.7 | -85.2 | 0 | 0 | 0 | 111.8 | L728 E729 V730 | D726-L728 VanDerWaalsContact C-N 3.32Å; D726-L728 PolarHBondContact O-N 3.39Å; D726-L728 WeakPolarHBondContact OD1-CA 3.36Å; D726-L728 WeakPolarHBondContact OD1-CB 3.19Å; D726-L728 PolarHBondContact OD1-N 2.92Å; D726-E729 HydrophobicContact CB-CB 4.12Å; D726-E729 HydrophobicContact CB-CG 4.09Å; D726-E729 PolarHBondContact O-N 3.41Å; D726-E729 PolarHBondContact OD1-N 3.06Å; D726-V730 WeakPolarHBondContact O-CG2 3.31Å; D726-V730 PolarHBondContact O-N 3.4Å | ||
| 727 | E | 84.6 | Confident | 85.9 | Confident | 140 Ų | 140 | 76.4 Ų | 76.4 | 65% | 0.654 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -63.6 | -34.9 | -173.7 | -171.9 | 177.2 | -173.2 | 0 | 0 | 112.7 | Y715 T731 | Y715-E727 WeakPolarHBondContact OH-CA 3.42Å; Y715-E727 PolarHBondContact OH-N 3.45Å; E727-T731 WeakPolarHBondContact O-CB 3.33Å; E727-T731 PolarHBondContact O-N 3.22Å; E727-T731 PolarHBondContact O-OG1 2.99Å |
| 728 | L | 84.8 | Confident | 86.1 | Confident | 138 Ų | 138 | 76.4 Ų | 76.4 | 72% | 0.723 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -75.2 | -38.9 | 178.6 | -58.6 | 174.6 | 0 | 0 | 0 | 111 | D726 R732 | D726-L728 VanDerWaalsContact C-N 3.32Å; D726-L728 PolarHBondContact O-N 3.39Å; D726-L728 WeakPolarHBondContact OD1-CA 3.36Å; D726-L728 WeakPolarHBondContact OD1-CB 3.19Å; D726-L728 PolarHBondContact OD1-N 2.92Å; L728-R732 WeakPolarHBondContact O-CB 3.22Å; L728-R732 PolarHBondContact O-N 3.34Å |
| 729 | E | 86.6 | Confident | 86.5 | Confident | 61 Ų | 61 | 73.8 Ų | 73.8 | 29% | 0.285 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -67.4 | -41.9 | 173.8 | -66.8 | -172.4 | 133.2 | 0 | 0 | 112.4 | D726 R732 V733 V781 K784 | D726-E729 HydrophobicContact CB-CB 4.12Å; D726-E729 HydrophobicContact CB-CG 4.09Å; D726-E729 PolarHBondContact O-N 3.41Å; D726-E729 PolarHBondContact OD1-N 3.06Å; E729-R732 WeakPolarHBondContact O-CB 3.35Å; E729-R732 PolarHBondContact O-N 2.99Å; E729-V733 WeakPolarHBondContact O-CG2 3.08Å; E729-V733 PolarHBondContact O-N 2.97Å; E729-V781 HydrophobicContact CB-CG1 3.7Å; E729-V781 HydrophobicContact CB-CG2 4.2Å; E729-K784 IonicContact OE1-NZ 2.67Å; E729-K784 PolarHBondContact OE1-NZ 3.28Å; E729-K784 IonicContact OE2-NZ 3.96Å; E729-K784 PolarHBondContact OE2-NZ 3.42Å |
| 730 | V | 86.6 | Confident | 87 | Confident | 6 Ų | 6 | 70.7 Ų | 70.7 | 4% | 0.036 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -68.5 | -37.6 | 175.8 | 178.9 | 0 | 0 | 0 | 0 | 111.1 | V712 Y715 L725 D726 R732 V733 D734 | V712-V730 HydrophobicContact CG2-CG1 4.19Å; Y715-V730 HydrophobicContact CD1-CB 4.14Å; Y715-V730 HydrophobicContact CD1-CG1 3.57Å; Y715-V730 HydrophobicContact CD1-CG2 4.36Å; Y715-V730 HydrophobicContact CD2-CG2 4.09Å; Y715-V730 HydrophobicContact CE1-CB 4.06Å; Y715-V730 HydrophobicContact CE1-CG1 3.99Å; Y715-V730 HydrophobicContact CE1-CG2 4.31Å; Y715-V730 HydrophobicContact CE2-CG2 4.06Å; Y715-V730 HydrophobicContact CG-CB 4.45Å; Y715-V730 HydrophobicContact CG-CG1 3.85Å; Y715-V730 HydrophobicContact CG-CG2 4.24Å; L725-V730 HydrophobicContact CB-CG2 3.51Å; L725-V730 HydrophobicContact CD1-CG2 4.01Å; L725-V730 HydrophobicContact CG-CG2 4.42Å; D726-V730 WeakPolarHBondContact O-CG2 3.31Å; D726-V730 PolarHBondContact O-N 3.4Å; V730-R732 VanDerWaalsContact C-N 3.28Å; V730-R732 PolarHBondContact O-N 3.31Å; V730-V733 WeakPolarHBondContact O-CB 3.37Å; V730-V733 PolarHBondContact O-N 2.99Å; V730-D734 PolarHBondContact O-N 2.95Å |
| 731 | T | 88.6 | Confident | 87.7 | Confident | 80 Ų | 80 | 66 Ų | 66 | 49% | 0.491 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -60.8 | -38.4 | 171.2 | -61.8 | 0 | 0 | 0 | 0 | 111.4 | E727 D734 Q735 | E727-T731 WeakPolarHBondContact O-CB 3.33Å; E727-T731 PolarHBondContact O-N 3.22Å; E727-T731 PolarHBondContact O-OG1 2.99Å; T731-D734 PolarHBondContact O-N 2.72Å; T731-Q735 PolarHBondContact O-N 2.91Å |
| 732 | R | 88.6 | Confident | 88.4 | Confident | 168 Ų | 168 | 62.9 Ų | 62.9 | 63% | 0.634 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -67.2 | -38.5 | 173.3 | -177.7 | -180 | 176.4 | -176.2 | -1.5 | 112.5 | L728 E729 V730 Q735 Q736 | L728-R732 WeakPolarHBondContact O-CB 3.22Å; L728-R732 PolarHBondContact O-N 3.34Å; E729-R732 WeakPolarHBondContact O-CB 3.35Å; E729-R732 PolarHBondContact O-N 2.99Å; V730-R732 VanDerWaalsContact C-N 3.28Å; V730-R732 PolarHBondContact O-N 3.31Å; R732-Q735 PolarHBondContact O-N 3.21Å; R732-Q736 WeakPolarHBondContact O-CG 3.39Å; R732-Q736 PolarHBondContact O-N 3.34Å |
| 733 | V | 89.2 | Confident | 89 | Confident | 3 Ų | 3 | 64.4 Ų | 64.4 | 2% | 0.018 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.5 | -48.5 | 172.6 | 169.6 | 0 | 0 | 0 | 0 | 110.2 | V712 E729 V730 Q735 Q736 V737 C778 V781 V782 | V712-V733 HydrophobicContact CG2-CB 4.47Å; V712-V733 HydrophobicContact CG2-CG1 3.82Å; E729-V733 WeakPolarHBondContact O-CG2 3.08Å; E729-V733 PolarHBondContact O-N 2.97Å; V730-V733 WeakPolarHBondContact O-CB 3.37Å; V730-V733 PolarHBondContact O-N 2.99Å; V733-Q735 VanDerWaalsContact C-N 3.33Å; V733-Q735 PolarHBondContact O-N 3.31Å; V733-Q736 PolarHBondContact O-N 2.79Å; V733-V737 HydrophobicContact CG1-CG2 4.1Å; V733-V737 WeakPolarHBondContact O-CB 3.49Å; V733-V737 WeakPolarHBondContact O-CG2 3.34Å; V733-V737 PolarHBondContact O-N 3.03Å; V733-C778 HydrophobicContact CG1-CB 4.12Å; V733-C778 HydrophobicContact CG2-CB 4.35Å; V733-V781 HydrophobicContact CG2-CB 3.73Å; V733-V781 HydrophobicContact CG2-CG1 3.78Å; V733-V781 HydrophobicContact CG2-CG2 4.06Å; V733-V782 HydrophobicContact CG1-CG1 4.19Å; V733-V782 HydrophobicContact CG2-CG1 4.49Å |
| 734 | D | 90.4 | Very high | 89.6 | Confident | 41 Ų | 41 | 62.1 Ų | 62.1 | 22% | 0.219 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -55.6 | -47.6 | 176.1 | -165.1 | 22.9 | 0 | 0 | 0 | 110.9 | V712 K716 V730 T731 Q736 V737 N738 | V712-D734 HydrophobicContact CG1-CB 3.88Å; V712-D734 HydrophobicContact CG2-CB 4.32Å; K716-D734 IonicContact NZ-OD1 3.25Å; K716-D734 IonicContact NZ-OD2 3.57Å; K716-D734 PolarHBondContact NZ-OD2 3.46Å; V730-D734 PolarHBondContact O-N 2.95Å; T731-D734 PolarHBondContact O-N 2.72Å; D734-Q736 PolarHBondContact O-N 2.71Å; D734-V737 PolarHBondContact O-N 3.12Å; D734-N738 WeakPolarHBondContact O-CB 3.38Å; D734-N738 PolarHBondContact O-N 2.93Å; D734-N738 PolarHBondContact O-ND2 3Å; D734-N738 PolarHBondContact OD1-ND2 3.36Å |
| 735 | Q | 91.3 | Very high | 90.1 | Very high | 107 Ų | 107 | 62.7 Ų | 62.7 | 50% | 0.5 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -57.8 | -50.7 | 174.8 | -177.1 | -178.7 | -13.3 | 0 | 0 | 112.3 | T731 R732 V733 V737 N738 E739 | T731-Q735 PolarHBondContact O-N 2.91Å; R732-Q735 PolarHBondContact O-N 3.21Å; V733-Q735 VanDerWaalsContact C-N 3.33Å; V733-Q735 PolarHBondContact O-N 3.31Å; Q735-V737 VanDerWaalsContact C-N 3.32Å; Q735-V737 PolarHBondContact O-N 3.11Å; Q735-N738 PolarHBondContact O-N 3.17Å; Q735-E739 HydrophobicContact CG-CG 4.43Å; Q735-E739 VanDerWaalsContact CG-OE1 3.32Å; Q735-E739 WeakPolarHBondContact CG-OE1 3.26Å; Q735-E739 PolarHBondContact NE2-OE1 3.12Å; Q735-E739 WeakPolarHBondContact O-CB 3.16Å; Q735-E739 WeakPolarHBondContact O-CG 3.32Å; Q735-E739 PolarHBondContact O-N 3.04Å |
| 736 | Q | 90.6 | Very high | 90.5 | Very high | 40 Ų | 40 | 65.6 Ų | 65.6 | 19% | 0.187 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -64.2 | -35 | -178.8 | -70.9 | -62.3 | -83.8 | 0 | 0 | 113 | R732 V733 D734 E739 A740 | R732-Q736 WeakPolarHBondContact O-CG 3.39Å; R732-Q736 PolarHBondContact O-N 3.34Å; V733-Q736 PolarHBondContact O-N 2.79Å; D734-Q736 PolarHBondContact O-N 2.71Å; Q736-E739 PolarHBondContact NE2-OE2 3.17Å; Q736-A740 VanDerWaalsContact O-CB 3.31Å; Q736-A740 WeakPolarHBondContact O-CB 3.34Å; Q736-A740 PolarHBondContact O-N 2.91Å |
| 737 | V | 92.8 | Very high | 90.8 | Very high | 1 Ų | 1 | 63.8 Ų | 63.8 | 1% | 0.006 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -69.5 | -42.8 | 176.4 | 172.3 | 0 | 0 | 0 | 0 | 111 | I705 Y708 M709 V733 D734 Q735 A740 M741 L774 | I705-V737 HydrophobicContact CG2-CG1 4.04Å; Y708-V737 VanDerWaalsContact CB-CG2 3.42Å; Y708-V737 HydrophobicContact CD2-CG2 4.4Å; Y708-V737 HydrophobicContact CG-CG2 4.23Å; M709-V737 HydrophobicContact CG-CG1 3.42Å; M709-V737 VanDerWaalsContact CG-CG1 3.42Å; V733-V737 HydrophobicContact CG1-CG2 4.1Å; V733-V737 WeakPolarHBondContact O-CB 3.49Å; V733-V737 WeakPolarHBondContact O-CG2 3.34Å; V733-V737 PolarHBondContact O-N 3.03Å; D734-V737 PolarHBondContact O-N 3.12Å; Q735-V737 VanDerWaalsContact C-N 3.32Å; Q735-V737 PolarHBondContact O-N 3.11Å; V737-A740 PolarHBondContact O-N 3.33Å; V737-M741 WeakPolarHBondContact O-CB 3.3Å; V737-M741 PolarHBondContact O-N 3.43Å; V737-L774 HydrophobicContact CG2-CD1 4.11Å |
| 738 | N | 92.7 | Very high | 91.1 | Very high | 77 Ų | 77 | 60 Ų | 60 | 41% | 0.412 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -67.5 | -39.2 | 174.8 | -75.9 | -71.7 | 0 | 0 | 0 | 112.2 | D734 Q735 M741 A742 | D734-N738 WeakPolarHBondContact O-CB 3.38Å; D734-N738 PolarHBondContact O-N 2.93Å; D734-N738 PolarHBondContact O-ND2 3Å; D734-N738 PolarHBondContact OD1-ND2 3.36Å; Q735-N738 PolarHBondContact O-N 3.17Å; N738-M741 PolarHBondContact O-N 3.11Å; N738-A742 VanDerWaalsContact O-CB 3.31Å; N738-A742 WeakPolarHBondContact O-CB 3.4Å; N738-A742 PolarHBondContact O-N 3.43Å |
| 739 | E | 93.2 | Very high | 91.3 | Very high | 90 Ų | 90 | 58.3 Ų | 58.3 | 42% | 0.421 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61.8 | -43.7 | 172.5 | -77.1 | 175.4 | -166 | 0 | 0 | 111.9 | Q735 Q736 A742 W743 | Q735-E739 HydrophobicContact CG-CG 4.43Å; Q735-E739 VanDerWaalsContact CG-OE1 3.32Å; Q735-E739 WeakPolarHBondContact CG-OE1 3.26Å; Q735-E739 PolarHBondContact NE2-OE1 3.12Å; Q735-E739 WeakPolarHBondContact O-CB 3.16Å; Q735-E739 WeakPolarHBondContact O-CG 3.32Å; Q735-E739 PolarHBondContact O-N 3.04Å; Q736-E739 PolarHBondContact NE2-OE2 3.17Å; E739-A742 PolarHBondContact O-N 2.97Å; E739-W743 WeakPolarHBondContact O-CB 3.18Å; E739-W743 PolarHBondContact O-N 2.8Å |
| 740 | A | 92.6 | Very high | 91.5 | Very high | 1 Ų | 1 | 59.3 Ų | 59.3 | 1% | 0.008 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65.9 | -39.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | I705 Q736 V737 W743 M744 L774 | I705-A740 HydrophobicContact CD1-CB 4.05Å; I705-A740 HydrophobicContact CG1-CB 4.18Å; Q736-A740 VanDerWaalsContact O-CB 3.31Å; Q736-A740 WeakPolarHBondContact O-CB 3.34Å; Q736-A740 PolarHBondContact O-N 2.91Å; V737-A740 PolarHBondContact O-N 3.33Å; A740-W743 PolarHBondContact O-N 2.78Å; A740-M744 VanDerWaalsContact O-CB 3.27Å; A740-M744 WeakPolarHBondContact O-CB 3.47Å; A740-M744 PolarHBondContact O-N 2.71Å; A740-L774 HydrophobicContact CB-CD1 3.94Å; A740-L774 HydrophobicContact CB-CD2 4.03Å; A740-L774 HydrophobicContact CB-CG 4.44Å |
| 741 | M | 93.7 | Very high | 91.7 | Very high | 58 Ų | 58 | 59.8 Ų | 59.8 | 29% | 0.286 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -64.8 | -45.4 | 173.3 | -179.1 | 176.6 | -72.7 | 0 | 0 | 111.9 | I705 M709 V737 N738 W743 M744 N745 | I705-M741 HydrophobicContact CD1-CB 4.48Å; I705-M741 HydrophobicContact CG2-CB 4.09Å; I705-M741 HydrophobicContact CG2-CE 3.62Å; M709-M741 HydrophobicContact CE-CE 4.3Å; M709-M741 HydrophobicContact SD-CE 3.34Å; M709-M741 WeakPolarHBondContact SD-CE 3.37Å; V737-M741 WeakPolarHBondContact O-CB 3.3Å; V737-M741 PolarHBondContact O-N 3.43Å; N738-M741 PolarHBondContact O-N 3.11Å; M741-W743 VanDerWaalsContact C-N 3.33Å; M741-W743 PolarHBondContact O-N 2.68Å; M741-M744 PolarHBondContact O-N 3.27Å; M741-N745 WeakPolarHBondContact CG-ND2 3.32Å; M741-N745 WeakPolarHBondContact O-CB 3.45Å; M741-N745 PolarHBondContact O-N 2.72Å; M741-N745 PolarHBondContact O-ND2 3.06Å |
| 742 | A | 93.6 | Very high | 91.6 | Very high | 54 Ų | 54 | 61.8 Ų | 61.8 | 45% | 0.446 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61.5 | -42.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | N738 E739 T746 | N738-A742 VanDerWaalsContact O-CB 3.31Å; N738-A742 WeakPolarHBondContact O-CB 3.4Å; N738-A742 PolarHBondContact O-N 3.43Å; E739-A742 PolarHBondContact O-N 2.97Å; A742-T746 VanDerWaalsContact O-CB 3.22Å; A742-T746 WeakPolarHBondContact O-CB 3.37Å; A742-T746 PolarHBondContact O-N 3.17Å; A742-T746 PolarHBondContact O-OG1 3.23Å |
| 743 | W | 95.4 | Very high | 91.5 | Very high | 67 Ų | 67 | 58.6 Ų | 58.6 | 25% | 0.254 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.3 | -48.6 | 173.5 | -178.2 | 93.2 | 0 | 0 | 0 | 112 | F698 L701 E739 A740 M741 T746 K747 V762 I767 K770 | F698-W743 HydrophobicContact CE1-CZ3 4.35Å; L701-W743 HydrophobicContact CD2-CE3 4.13Å; L701-W743 HydrophobicContact CD2-CZ3 3.81Å; E739-W743 WeakPolarHBondContact O-CB 3.18Å; E739-W743 PolarHBondContact O-N 2.8Å; A740-W743 PolarHBondContact O-N 2.78Å; M741-W743 VanDerWaalsContact C-N 3.33Å; M741-W743 PolarHBondContact O-N 2.68Å; W743-T746 PolarHBondContact O-N 2.67Å; W743-K747 HydrophobicContact CD2-CG 4.11Å; W743-K747 HydrophobicContact CH2-CG 4.4Å; W743-K747 HydrophobicContact CZ2-CG 3.95Å; W743-K747 WeakPolarHBondContact O-CB 3.21Å; W743-K747 PolarHBondContact O-N 2.75Å; W743-V762 HydrophobicContact CH2-CG2 3.84Å; W743-V762 HydrophobicContact CZ2-CG2 4.01Å; W743-I767 HydrophobicContact CH2-CG1 4.1Å; W743-I767 HydrophobicContact CZ3-CG1 4.4Å; W743-K770 HydrophobicContact CD2-CD 4.25Å; W743-K770 HydrophobicContact CD2-CG 4.13Å; W743-K770 HydrophobicContact CE3-CB 4.32Å; W743-K770 HydrophobicContact CE3-CD 4.45Å; W743-K770 HydrophobicContact CE3-CG 3.83Å; W743-K770 HydrophobicContact CH2-CB 4.01Å; W743-K770 HydrophobicContact CH2-CG 4.35Å; W743-K770 HydrophobicContact CZ2-CB 4.5Å; W743-K770 HydrophobicContact CZ3-CB 3.91Å; W743-K770 HydrophobicContact CZ3-CG 3.96Å |
| 744 | M | 93.3 | Very high | 91.4 | Very high | 25 Ų | 25 | 61.8 Ų | 61.8 | 12% | 0.123 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -58.8 | -51.9 | 179.5 | 174.6 | 173.9 | 170.9 | 0 | 0 | 111.2 | F698 L701 I705 A740 M741 T746 K747 M748 | F698-M744 HydrophobicContact CB-CE 4.14Å; F698-M744 HydrophobicContact CD1-CE 4.32Å; F698-M744 HydrophobicContact CD1-CG 3.86Å; F698-M744 HydrophobicContact CE1-CG 4.08Å; F698-M744 WeakPolarHBondContact O-CE 3.49Å; L701-M744 HydrophobicContact CB-SD 4.36Å; L701-M744 HydrophobicContact CD2-CB 4.08Å; L701-M744 HydrophobicContact CD2-CG 4.26Å; L701-M744 HydrophobicContact CD2-SD 4.16Å; L701-M744 HydrophobicContact CG-SD 4.01Å; I705-M744 HydrophobicContact CD1-CB 4.39Å; I705-M744 HydrophobicContact CD1-SD 3.9Å; A740-M744 VanDerWaalsContact O-CB 3.27Å; A740-M744 WeakPolarHBondContact O-CB 3.47Å; A740-M744 PolarHBondContact O-N 2.71Å; M741-M744 PolarHBondContact O-N 3.27Å; M744-T746 VanDerWaalsContact C-N 3.34Å; M744-T746 PolarHBondContact O-N 2.94Å; M744-K747 PolarHBondContact O-N 2.88Å; M744-M748 WeakPolarHBondContact O-CB 3.42Å; M744-M748 PolarHBondContact O-N 3.02Å |
| 745 | N | 92.5 | Very high | 91.2 | Very high | 68 Ų | 68 | 64.4 Ų | 64.4 | 36% | 0.364 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62.3 | -41.1 | 178.6 | -71.5 | -23.8 | 0 | 0 | 0 | 111.7 | M741 N749 | M741-N745 WeakPolarHBondContact CG-ND2 3.32Å; M741-N745 WeakPolarHBondContact O-CB 3.45Å; M741-N745 PolarHBondContact O-N 2.72Å; M741-N745 PolarHBondContact O-ND2 3.06Å; N745-N749 VanDerWaalsContact O-CB 3.26Å; N745-N749 WeakPolarHBondContact O-CB 3.46Å; N745-N749 PolarHBondContact O-N 2.7Å; N745-N749 PolarHBondContact O-ND2 3.12Å |
| 746 | T | 93.8 | Very high | 91 | Very high | 72 Ų | 72 | 63 Ų | 63 | 44% | 0.442 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -62.2 | -50.2 | 176.7 | -61.3 | 0 | 0 | 0 | 0 | 111.5 | A742 W743 M744 N749 Q750 | A742-T746 VanDerWaalsContact O-CB 3.22Å; A742-T746 WeakPolarHBondContact O-CB 3.37Å; A742-T746 PolarHBondContact O-N 3.17Å; A742-T746 PolarHBondContact O-OG1 3.23Å; W743-T746 PolarHBondContact O-N 2.67Å; M744-T746 VanDerWaalsContact C-N 3.34Å; M744-T746 PolarHBondContact O-N 2.94Å; T746-N749 PolarHBondContact O-N 2.91Å; T746-Q750 WeakPolarHBondContact O-CB 3.26Å; T746-Q750 VanDerWaalsContact O-CG 3.25Å; T746-Q750 WeakPolarHBondContact O-CG 3.47Å; T746-Q750 PolarHBondContact O-N 2.69Å |
| 747 | K | 92.6 | Very high | 90.7 | Very high | 43 Ų | 43 | 62.5 Ų | 62.5 | 19% | 0.187 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -68.4 | -39.1 | -179.2 | -77.3 | -58.8 | -155.9 | 168 | 0 | 112.7 | F698 W743 M744 Q751 V761 V762 | F698-K747 HydrophobicContact CZ-CB 4.14Å; W743-K747 HydrophobicContact CD2-CG 4.11Å; W743-K747 HydrophobicContact CH2-CG 4.4Å; W743-K747 HydrophobicContact CZ2-CG 3.95Å; W743-K747 WeakPolarHBondContact O-CB 3.21Å; W743-K747 PolarHBondContact O-N 2.75Å; M744-K747 PolarHBondContact O-N 2.88Å; K747-Q751 VanDerWaalsContact O-CB 3.23Å; K747-Q751 WeakPolarHBondContact O-CB 3.37Å; K747-Q751 PolarHBondContact O-N 3.24Å; K747-V761 PolarHBondContact NZ-O 3Å; K747-V762 HydrophobicContact CB-CB 4.39Å; K747-V762 HydrophobicContact CB-CG1 4.06Å; K747-V762 HydrophobicContact CD-CB 4.08Å; K747-V762 HydrophobicContact CG-CB 4.36Å |
| 748 | M | 90.4 | Very high | 90.4 | Very high | 60 Ų | 60 | 65.7 Ų | 65.7 | 30% | 0.296 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -64.9 | -44.2 | 175.9 | -171.3 | 172.8 | 68.3 | 0 | 0 | 111.2 | F698 M744 Q751 N752 | F698-M748 HydrophobicContact CD2-CG 4.46Å; F698-M748 HydrophobicContact CE2-CB 4.06Å; F698-M748 HydrophobicContact CE2-CG 4.28Å; F698-M748 HydrophobicContact CZ-CB 4.03Å; M744-M748 WeakPolarHBondContact O-CB 3.42Å; M744-M748 PolarHBondContact O-N 3.02Å; M748-Q751 PolarHBondContact O-N 2.89Å; M748-N752 WeakPolarHBondContact O-CB 3.26Å; M748-N752 PolarHBondContact O-N 2.82Å; M748-N752 PolarHBondContact O-ND2 2.76Å; M748-N752 PolarHBondContact O-OD1 3.11Å |
| 749 | N | 89.9 | Confident | 90.1 | Very high | 103 Ų | 103 | 66.8 Ų | 66.8 | 55% | 0.551 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -63.7 | -45.3 | 176 | -73.4 | -22.4 | 0 | 0 | 0 | 112.4 | N745 T746 Q751 N752 S753 | N745-N749 VanDerWaalsContact O-CB 3.26Å; N745-N749 WeakPolarHBondContact O-CB 3.46Å; N745-N749 PolarHBondContact O-N 2.7Å; N745-N749 PolarHBondContact O-ND2 3.12Å; T746-N749 PolarHBondContact O-N 2.91Å; N749-Q751 VanDerWaalsContact C-N 3.33Å; N749-Q751 PolarHBondContact O-N 2.88Å; N749-N752 PolarHBondContact O-N 3.42Å; N749-S753 PolarHBondContact O-N 2.88Å; N749-S753 VanDerWaalsContact O-N 3.14Å; N749-S753 PolarHBondContact O-OG 3.3Å |
| 750 | Q | 90.3 | Very high | 89.8 | Confident | 82 Ų | 82 | 63.6 Ų | 63.6 | 38% | 0.383 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -60 | -43.2 | 175.2 | -72 | 171.7 | -5.4 | 0 | 0 | 111.7 | T746 S753 Q754 V761 | T746-Q750 WeakPolarHBondContact O-CB 3.26Å; T746-Q750 VanDerWaalsContact O-CG 3.25Å; T746-Q750 WeakPolarHBondContact O-CG 3.47Å; T746-Q750 PolarHBondContact O-N 2.69Å; Q750-S753 PolarHBondContact O-N 2.97Å; Q750-S753 PolarHBondContact O-OG 3.44Å; Q750-Q754 PolarHBondContact O-N 3.37Å; Q750-V761 HydrophobicContact CB-CB 4.39Å; Q750-V761 HydrophobicContact CB-CG1 3.84Å |
| 751 | Q | 89.8 | Confident | 89.6 | Confident | 15 Ų | 15 | 65.5 Ų | 65.5 | 7% | 0.07 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -67.6 | -34.5 | 177.8 | -177.5 | 58.5 | 72.3 | 0 | 0 | 113 | K747 M748 N749 S753 Q754 P760 | K747-Q751 VanDerWaalsContact O-CB 3.23Å; K747-Q751 WeakPolarHBondContact O-CB 3.37Å; K747-Q751 PolarHBondContact O-N 3.24Å; M748-Q751 PolarHBondContact O-N 2.89Å; N749-Q751 VanDerWaalsContact C-N 3.33Å; N749-Q751 PolarHBondContact O-N 2.88Å; Q751-S753 VanDerWaalsContact C-N 3.27Å; Q751-S753 PolarHBondContact O-N 2.96Å; Q751-Q754 WeakPolarHBondContact O-CB 3.36Å; Q751-Q754 PolarHBondContact O-N 3.2Å; Q751-P760 VanDerWaalsContact OE1-CA 3.26Å |
| 752 | N | 87.8 | Confident | 89.5 | Confident | 123 Ų | 123 | 62.7 Ų | 62.7 | 66% | 0.658 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -70.9 | -23.1 | 176.1 | -69.9 | -11.7 | 0 | 0 | 0 | 112.5 | M748 N749 | M748-N752 WeakPolarHBondContact O-CB 3.26Å; M748-N752 PolarHBondContact O-N 2.82Å; M748-N752 PolarHBondContact O-ND2 2.76Å; M748-N752 PolarHBondContact O-OD1 3.11Å; N749-N752 PolarHBondContact O-N 3.42Å |
| 753 | S | 86 | Confident | 89.5 | Confident | 100 Ų | 100 | 65.1 Ų | 65.1 | 70% | 0.699 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -7.2 | 170.6 | 61.2 | 0 | 0 | 0 | 0 | 114.6 | N749 Q750 Q751 | N749-S753 PolarHBondContact O-N 2.88Å; N749-S753 VanDerWaalsContact O-N 3.14Å; N749-S753 PolarHBondContact O-OG 3.3Å; Q750-S753 PolarHBondContact O-N 2.97Å; Q750-S753 PolarHBondContact O-OG 3.44Å; Q751-S753 VanDerWaalsContact C-N 3.27Å; Q751-S753 PolarHBondContact O-N 2.96Å |
| 754 | Q | 87.3 | Confident | 89.4 | Confident | 70 Ų | 70 | 62.7 Ų | 62.7 | 33% | 0.327 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -90.3 | 137.4 | -176.7 | -173.6 | 75.8 | -27.1 | 0 | 0 | 110.9 | Q750 Q751 V758 D759 V761 | Q750-Q754 PolarHBondContact O-N 3.37Å; Q751-Q754 WeakPolarHBondContact O-CB 3.36Å; Q751-Q754 PolarHBondContact O-N 3.2Å; Q754-V758 HydrophobicContact CG-CG2 3.82Å; Q754-D759 PolarHBondContact NE2-O 3.33Å; Q754-V761 HydrophobicContact CB-CG2 3.87Å; Q754-V761 HydrophobicContact CG-CG2 3.87Å |
| 755 | N | 85.4 | Confident | 89.4 | Confident | 97 Ų | 97 | 63.9 Ų | 63.9 | 52% | 0.519 | 36% | 0.357 | S | S | . | . | trans | -71.1 | 141.6 | 175.2 | -172.4 | -62.6 | 0 | 0 | 0 | 110.9 | T757 V758 | N755-T757 PolarHBondContact O-N 2.84Å; N755-T757 WeakPolarHBondContact OD1-CB 3.35Å; N755-T757 WeakPolarHBondContact OD1-CG2 3.4Å; N755-T757 PolarHBondContact OD1-N 2.98Å; N755-T757 PolarHBondContact OD1-OG1 2.87Å; N755-V758 HydrophobicContact CB-CG2 4.24Å; N755-V758 WeakPolarHBondContact O-CG2 3.36Å; N755-V758 PolarHBondContact O-N 2.82Å | ||
| 756 | L | 86.7 | Confident | 89.4 | Confident | 76 Ų | 76 | 64.8 Ų | 64.8 | 40% | 0.398 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -18.3 | -177.8 | -62.8 | 179.9 | 0 | 0 | 0 | 114.3 | K637 F638 | K637-L756 HydrophobicContact CB-CD1 4.22Å; K637-L756 VanDerWaalsContact O-CB 3.27Å; K637-L756 WeakPolarHBondContact O-CB 3.22Å; F638-L756 HydrophobicContact CD1-CB 3.95Å; F638-L756 HydrophobicContact CE1-CB 3.99Å; F638-L756 HydrophobicContact CE1-CD1 4.08Å; F638-L756 HydrophobicContact CE1-CD2 4.12Å; F638-L756 HydrophobicContact CE1-CG 4.28Å; F638-L756 HydrophobicContact CZ-CD1 4.28Å |
| 757 | T | 85.1 | Confident | 89.4 | Confident | 31 Ų | 31 | 61.3 Ų | 61.3 | 19% | 0.19 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -13.8 | 179.4 | 63.4 | 0 | 0 | 0 | 0 | 114.2 | V639 N640 K687 N755 | V639-T757 WeakPolarHBondContact O-CG2 3.48Å; N640-T757 HydrophobicContact CB-CG2 4.46Å; K687-T757 PolarHBondContact NZ-O 3.48Å; N755-T757 PolarHBondContact O-N 2.84Å; N755-T757 WeakPolarHBondContact OD1-CB 3.35Å; N755-T757 WeakPolarHBondContact OD1-CG2 3.4Å; N755-T757 PolarHBondContact OD1-N 2.98Å; N755-T757 PolarHBondContact OD1-OG1 2.87Å |
| 758 | V | 86.7 | Confident | 89.5 | Confident | 67 Ų | 67 | 63.9 Ų | 63.9 | 41% | 0.406 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -107.9 | 164.9 | 178 | -66.7 | 0 | 0 | 0 | 0 | 111.4 | Q754 N755 | Q754-V758 HydrophobicContact CG-CG2 3.82Å; N755-V758 HydrophobicContact CB-CG2 4.24Å; N755-V758 WeakPolarHBondContact O-CG2 3.36Å; N755-V758 PolarHBondContact O-N 2.82Å |
| 759 | D | 85.6 | Confident | 89.7 | Confident | 100 Ų | 100 | 63.7 Ų | 63.7 | 54% | 0.535 | 36% | 0.357 | S | S | . | . | trans | -62.4 | 144.1 | -176.6 | -74.1 | 19.1 | 0 | 0 | 0 | 111.9 | K687 Q754 | K687-D759 WeakPolarHBondContact CE-OD1 3.39Å; K687-D759 IonicContact NZ-OD1 2.71Å; Q754-D759 PolarHBondContact NE2-O 3.33Å | ||
| 760 | P | 87.6 | Confident | 89.9 | Confident | 24 Ų | 24 | 60.8 Ų | 60.8 | 16% | 0.156 | 34% | 0.339 | C | S | . | . | trans | -71.6 | 148.7 | -175 | 29.4 | -36.1 | 0 | 0 | 0 | 112.8 | E690 Q751 V762 K763 | E690-P760 HydrophobicContact CG-CG 4.5Å; Q751-P760 VanDerWaalsContact OE1-CA 3.26Å; P760-V762 PolarHBondContact O-N 3.39Å; P760-K763 HydrophobicContact CG-CG 4.14Å | ||
| 761 | V | 89.1 | Confident | 90 | Very high | 40 Ų | 40 | 57.5 Ų | 57.5 | 24% | 0.242 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -75.5 | -16.5 | -179.2 | -169.8 | 0 | 0 | 0 | 0 | 112 | K747 Q750 Q754 | K747-V761 PolarHBondContact NZ-O 3Å; Q750-V761 HydrophobicContact CB-CB 4.39Å; Q750-V761 HydrophobicContact CB-CG1 3.84Å; Q754-V761 HydrophobicContact CB-CG2 3.87Å; Q754-V761 HydrophobicContact CG-CG2 3.87Å |
| 762 | V | 91.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -151.4 | 133.2 | 169 | 64.8 | 0 | 0 | 0 | 0 | 109.7 | R694 F698 W743 K747 P760 E766 I767 | R694-V762 PolarHBondContact NE-O 3.4Å; F698-V762 HydrophobicContact CE2-CG1 4.24Å; F698-V762 HydrophobicContact CZ-CG1 3.76Å; W743-V762 HydrophobicContact CH2-CG2 3.84Å; W743-V762 HydrophobicContact CZ2-CG2 4.01Å; K747-V762 HydrophobicContact CB-CB 4.39Å; K747-V762 HydrophobicContact CB-CG1 4.06Å; K747-V762 HydrophobicContact CD-CB 4.08Å; K747-V762 HydrophobicContact CG-CB 4.36Å; P760-V762 PolarHBondContact O-N 3.39Å; V762-E766 HydrophobicContact CG2-CB 3.69Å; V762-E766 HydrophobicContact CG2-CG 4.44Å; V762-I767 HydrophobicContact CG1-CD1 4.12Å; V762-I767 HydrophobicContact CG1-CG1 4.31Å; V762-I767 HydrophobicContact CG2-CG1 3.87Å |
| 763 | K | 93.3 | Very high | 90.5 | Very high | 105 Ų | 105 | 62.9 Ų | 62.9 | 46% | 0.457 | 34% | 0.344 | S | S | . | . | trans | -85.4 | 153.4 | 177.6 | -66.3 | -168.7 | 179.6 | -168.8 | 0 | 112.1 | E690 P760 G765 E766 I767 | E690-K763 WeakPolarHBondContact OE1-CA 3.34Å; E690-K763 WeakPolarHBondContact OE1-CB 3.43Å; E690-K763 VanDerWaalsContact OE2-CA 3.28Å; E690-K763 WeakPolarHBondContact OE2-CA 3.34Å; P760-K763 HydrophobicContact CG-CG 4.14Å; K763-G765 PolarHBondContact O-N 3.46Å; K763-G765 VanDerWaalsContact O-N 3.15Å; K763-E766 HydrophobicContact CB-CG 4.47Å; K763-E766 PolarHBondContact N-OE1 3.28Å; K763-E766 WeakPolarHBondContact O-CB 3.38Å; K763-E766 PolarHBondContact O-N 3.33Å; K763-I767 PolarHBondContact O-N 2.74Å | ||
| 764 | V | 92.8 | Very high | 90.9 | Very high | 15 Ų | 15 | 58.4 Ų | 58.4 | 9% | 0.091 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -53.6 | -35.5 | 175 | 169.2 | 0 | 0 | 0 | 0 | 111.5 | E690 E693 R694 A697 K768 | E690-V764 VanDerWaalsContact CD-N 3.34Å; E690-V764 WeakPolarHBondContact OE1-CB 3.47Å; E690-V764 PolarHBondContact OE1-N 2.91Å; E690-V764 PolarHBondContact OE2-N 3.18Å; E693-V764 HydrophobicContact CB-CG1 4.23Å; E693-V764 HydrophobicContact CB-CG2 3.7Å; R694-V764 HydrophobicContact CB-CG2 4.03Å; A697-V764 HydrophobicContact CB-CG1 4.31Å; V764-K768 HydrophobicContact CG1-CD 3.76Å; V764-K768 VanDerWaalsContact CG1-CE 3.48Å; V764-K768 HydrophobicContact CG1-CG 4.45Å; V764-K768 VanDerWaalsContact CG1-NZ 3.35Å; V764-K768 WeakPolarHBondContact O-CB 3.26Å; V764-K768 WeakPolarHBondContact O-CG 3.44Å; V764-K768 PolarHBondContact O-N 3.29Å |
| 765 | G | 93 | Very high | 91.1 | Very high | 51 Ų | 51 | 60.6 Ų | 60.6 | 53% | 0.526 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -64 | -37.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | K763 A769 | K763-G765 PolarHBondContact O-N 3.46Å; K763-G765 VanDerWaalsContact O-N 3.15Å; G765-A769 WeakPolarHBondContact O-CB 3.2Å; G765-A769 PolarHBondContact O-N 3.2Å |
| 766 | E | 93.2 | Very high | 91.4 | Very high | 86 Ų | 86 | 59.2 Ų | 59.2 | 40% | 0.402 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -69.8 | -41.7 | 177.5 | -66.3 | 170.5 | -102.3 | 0 | 0 | 111.3 | V762 K763 A769 K770 | V762-E766 HydrophobicContact CG2-CB 3.69Å; V762-E766 HydrophobicContact CG2-CG 4.44Å; K763-E766 HydrophobicContact CB-CG 4.47Å; K763-E766 PolarHBondContact N-OE1 3.28Å; K763-E766 WeakPolarHBondContact O-CB 3.38Å; K763-E766 PolarHBondContact O-N 3.33Å; E766-A769 WeakPolarHBondContact O-CB 3.42Å; E766-A769 PolarHBondContact O-N 2.7Å; E766-K770 PolarHBondContact O-N 3.38Å |
| 767 | I | 93.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.8 | -48.8 | 176.2 | -57.3 | 168 | 0 | 0 | 0 | 109.8 | R694 A697 F698 L701 W743 V762 K763 A769 K770 T771 | R694-I767 HydrophobicContact CG-CD1 3.51Å; A697-I767 HydrophobicContact CB-CB 4.12Å; A697-I767 HydrophobicContact CB-CD1 4.28Å; A697-I767 HydrophobicContact CB-CG2 3.91Å; A697-I767 WeakPolarHBondContact O-CG2 3.22Å; F698-I767 HydrophobicContact CD1-CD1 3.82Å; F698-I767 HydrophobicContact CD1-CG1 4.25Å; F698-I767 HydrophobicContact CD1-CG2 4.06Å; F698-I767 HydrophobicContact CD2-CD1 3.87Å; F698-I767 HydrophobicContact CE1-CD1 3.71Å; F698-I767 HydrophobicContact CE1-CG1 3.96Å; F698-I767 HydrophobicContact CE1-CG2 4.48Å; F698-I767 HydrophobicContact CE2-CD1 3.76Å; F698-I767 HydrophobicContact CG-CD1 3.9Å; F698-I767 HydrophobicContact CZ-CD1 3.69Å; F698-I767 HydrophobicContact CZ-CG1 4.25Å; L701-I767 HydrophobicContact CB-CG2 4.18Å; L701-I767 HydrophobicContact CD2-CG2 4.01Å; W743-I767 HydrophobicContact CH2-CG1 4.1Å; W743-I767 HydrophobicContact CZ3-CG1 4.4Å; V762-I767 HydrophobicContact CG1-CD1 4.12Å; V762-I767 HydrophobicContact CG1-CG1 4.31Å; V762-I767 HydrophobicContact CG2-CG1 3.87Å; K763-I767 PolarHBondContact O-N 2.74Å; I767-A769 PolarHBondContact O-N 2.93Å; I767-K770 PolarHBondContact O-N 2.93Å; I767-T771 PolarHBondContact O-N 3.07Å; I767-T771 PolarHBondContact O-OG1 2.85Å; I767-T771 VanDerWaalsContact O-OG1 3.07Å |
| 768 | K | 94.4 | Very high | 91.8 | Very high | 97 Ų | 97 | 55.8 Ų | 55.8 | 42% | 0.422 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.4 | -24.9 | 176.7 | -71.4 | 174.1 | -178.7 | 169.2 | 0 | 112.4 | E693 A697 V764 K772 | E693-K768 IonicContact OE2-NZ 3.27Å; A697-K768 HydrophobicContact CB-CG 4.39Å; V764-K768 HydrophobicContact CG1-CD 3.76Å; V764-K768 VanDerWaalsContact CG1-CE 3.48Å; V764-K768 HydrophobicContact CG1-CG 4.45Å; V764-K768 VanDerWaalsContact CG1-NZ 3.35Å; V764-K768 WeakPolarHBondContact O-CB 3.26Å; V764-K768 WeakPolarHBondContact O-CG 3.44Å; V764-K768 PolarHBondContact O-N 3.29Å; K768-K772 WeakPolarHBondContact O-CG 3.47Å; K768-K772 PolarHBondContact O-N 3.24Å |
| 769 | A | 95.2 | Very high | 92 | Very high | 56 Ų | 56 | 54 Ų | 54 | 46% | 0.463 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -74.1 | -46.1 | 168.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | G765 E766 I767 T771 K772 E773 | G765-A769 WeakPolarHBondContact O-CB 3.2Å; G765-A769 PolarHBondContact O-N 3.2Å; E766-A769 WeakPolarHBondContact O-CB 3.42Å; E766-A769 PolarHBondContact O-N 2.7Å; I767-A769 PolarHBondContact O-N 2.93Å; A769-T771 VanDerWaalsContact C-N 3.33Å; A769-T771 PolarHBondContact O-N 3.29Å; A769-K772 WeakPolarHBondContact O-CB 3.25Å; A769-K772 PolarHBondContact O-N 3.25Å; A769-K772 VanDerWaalsContact O-N 3.1Å; A769-E773 PolarHBondContact O-N 3.06Å |
| 770 | K | 93.3 | Very high | 92.2 | Very high | 42 Ų | 42 | 52.9 Ų | 52.9 | 18% | 0.183 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62 | -37.2 | 177.8 | -162.1 | 76.1 | -153.2 | 167.2 | 0 | 112.5 | W743 E766 I767 E773 L774 | W743-K770 HydrophobicContact CD2-CD 4.25Å; W743-K770 HydrophobicContact CD2-CG 4.13Å; W743-K770 HydrophobicContact CE3-CB 4.32Å; W743-K770 HydrophobicContact CE3-CD 4.45Å; W743-K770 HydrophobicContact CE3-CG 3.83Å; W743-K770 HydrophobicContact CH2-CB 4.01Å; W743-K770 HydrophobicContact CH2-CG 4.35Å; W743-K770 HydrophobicContact CZ2-CB 4.5Å; W743-K770 HydrophobicContact CZ3-CB 3.91Å; W743-K770 HydrophobicContact CZ3-CG 3.96Å; E766-K770 PolarHBondContact O-N 3.38Å; I767-K770 PolarHBondContact O-N 2.93Å; K770-E773 WeakPolarHBondContact CD-OE2 3.23Å; K770-E773 WeakPolarHBondContact CE-OE2 3.05Å; K770-E773 IonicContact NZ-OE1 2.59Å; K770-E773 PolarHBondContact NZ-OE1 3.33Å; K770-E773 IonicContact NZ-OE2 3.51Å; K770-E773 PolarHBondContact NZ-OE2 3.02Å; K770-E773 WeakPolarHBondContact O-CB 3.38Å; K770-E773 PolarHBondContact O-N 3.22Å; K770-L774 WeakPolarHBondContact O-CB 3.4Å; K770-L774 PolarHBondContact O-N 3.22Å |
| 771 | T | 93.4 | Very high | 92.1 | Very high | 13 Ų | 13 | 52.5 Ų | 52.5 | 8% | 0.08 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.7 | -42.6 | 172.6 | -47.4 | 0 | 0 | 0 | 0 | 111.7 | E700 Q704 I767 A769 Y775 | E700-T771 HydrophobicContact CG-CG2 4.35Å; Q704-T771 HydrophobicContact CG-CG2 4.26Å; I767-T771 PolarHBondContact O-N 3.07Å; I767-T771 PolarHBondContact O-OG1 2.85Å; I767-T771 VanDerWaalsContact O-OG1 3.07Å; A769-T771 VanDerWaalsContact C-N 3.33Å; A769-T771 PolarHBondContact O-N 3.29Å; T771-Y775 WeakPolarHBondContact O-CB 3.13Å; T771-Y775 PolarHBondContact O-N 2.88Å |
| 772 | K | 94.3 | Very high | 92 | Very high | 158 Ų | 158 | 51.2 Ų | 51.2 | 69% | 0.687 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -67 | -37.3 | 176.4 | -73.4 | 175.7 | 179.1 | -176.5 | 0 | 112.5 | K768 A769 A776 | K768-K772 WeakPolarHBondContact O-CG 3.47Å; K768-K772 PolarHBondContact O-N 3.24Å; A769-K772 WeakPolarHBondContact O-CB 3.25Å; A769-K772 PolarHBondContact O-N 3.25Å; A769-K772 VanDerWaalsContact O-N 3.1Å; K772-A776 VanDerWaalsContact O-CB 3.29Å; K772-A776 WeakPolarHBondContact O-CB 3.4Å; K772-A776 PolarHBondContact O-N 3.18Å |
| 773 | E | 93.9 | Very high | 91.8 | Very high | 93 Ų | 93 | 55.3 Ų | 55.3 | 44% | 0.435 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61.7 | -51.2 | 175.1 | -167.9 | -167.4 | 146.2 | 0 | 0 | 110.9 | A769 K770 Y775 A776 S777 | A769-E773 PolarHBondContact O-N 3.06Å; K770-E773 WeakPolarHBondContact CD-OE2 3.23Å; K770-E773 WeakPolarHBondContact CE-OE2 3.05Å; K770-E773 IonicContact NZ-OE1 2.59Å; K770-E773 PolarHBondContact NZ-OE1 3.33Å; K770-E773 IonicContact NZ-OE2 3.51Å; K770-E773 PolarHBondContact NZ-OE2 3.02Å; K770-E773 WeakPolarHBondContact O-CB 3.38Å; K770-E773 PolarHBondContact O-N 3.22Å; E773-Y775 VanDerWaalsContact C-N 3.35Å; E773-Y775 PolarHBondContact O-N 3.39Å; E773-A776 PolarHBondContact O-N 3.22Å; E773-S777 PolarHBondContact O-N 2.99Å; E773-S777 PolarHBondContact O-OG 3.47Å |
| 774 | L | 93.3 | Very high | 91.4 | Very high | 5 Ų | 5 | 54.3 Ų | 54.3 | 3% | 0.026 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60.8 | -41.6 | 176.9 | -178.6 | 67.1 | 0 | 0 | 0 | 112.2 | L701 I705 Y708 V737 A740 K770 S777 C778 | L701-L774 HydrophobicContact CD1-CD2 4.17Å; I705-L774 HydrophobicContact CD1-CD2 4.49Å; I705-L774 HydrophobicContact CG1-CD2 3.48Å; I705-L774 VanDerWaalsContact CG1-CD2 3.48Å; Y708-L774 HydrophobicContact CD2-CD2 4.22Å; Y708-L774 HydrophobicContact CD2-CG 4.11Å; Y708-L774 HydrophobicContact CE2-CD2 4.4Å; Y708-L774 HydrophobicContact CE2-CG 4.09Å; V737-L774 HydrophobicContact CG2-CD1 4.11Å; A740-L774 HydrophobicContact CB-CD1 3.94Å; A740-L774 HydrophobicContact CB-CD2 4.03Å; A740-L774 HydrophobicContact CB-CG 4.44Å; K770-L774 WeakPolarHBondContact O-CB 3.4Å; K770-L774 PolarHBondContact O-N 3.22Å; L774-S777 PolarHBondContact O-N 3.42Å; L774-S777 PolarHBondContact O-OG 2.86Å; L774-S777 VanDerWaalsContact O-OG 3.09Å; L774-C778 VanDerWaalsContact O-CB 3.3Å; L774-C778 WeakPolarHBondContact O-CB 3.34Å; L774-C778 PolarHBondContact O-N 3.32Å |
| 775 | Y | 92.8 | Very high | 90.7 | Very high | 116 Ų | 116 | 59.2 Ų | 59.2 | 46% | 0.455 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -61.3 | -46.6 | 174.4 | -176.7 | -91.5 | 0 | 0 | 0 | 111.6 | Y708 T771 E773 S777 N779 | Y708-Y775 VanDerWaalsContact OH-CD2 3.31Å; Y708-Y775 WeakPolarHBondContact OH-CD2 3.27Å; T771-Y775 WeakPolarHBondContact O-CB 3.13Å; T771-Y775 PolarHBondContact O-N 2.88Å; E773-Y775 VanDerWaalsContact C-N 3.35Å; E773-Y775 PolarHBondContact O-N 3.39Å; Y775-S777 PolarHBondContact O-N 2.94Å; Y775-N779 HydrophobicContact CD1-CB 4.37Å; Y775-N779 HydrophobicContact CD2-CB 4.09Å; Y775-N779 HydrophobicContact CE1-CB 4.18Å; Y775-N779 HydrophobicContact CE2-CB 3.86Å; Y775-N779 WeakPolarHBondContact CE2-OD1 3.45Å; Y775-N779 HydrophobicContact CG-CB 4.32Å; Y775-N779 WeakPolarHBondContact O-CB 3.37Å; Y775-N779 PolarHBondContact O-N 2.97Å; Y775-N779 PolarHBondContact OH-ND2 3.16Å |
| 776 | A | 92.1 | Very high | 89.9 | Confident | 68 Ų | 68 | 62 Ų | 62 | 56% | 0.562 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -67.3 | -32.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | K772 E773 P780 | K772-A776 VanDerWaalsContact O-CB 3.29Å; K772-A776 WeakPolarHBondContact O-CB 3.4Å; K772-A776 PolarHBondContact O-N 3.18Å; E773-A776 PolarHBondContact O-N 3.22Å; A776-P780 WeakPolarHBondContact O-CD 3.46Å; A776-P780 WeakPolarHBondContact O-CG 3.42Å |
| 777 | S | 88.9 | Confident | 88.5 | Confident | 35 Ų | 35 | 62.6 Ų | 62.6 | 25% | 0.245 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -79.3 | -39.5 | 176.8 | 61.3 | 0 | 0 | 0 | 0 | 113.3 | E773 L774 Y775 | E773-S777 PolarHBondContact O-N 2.99Å; E773-S777 PolarHBondContact O-OG 3.47Å; L774-S777 PolarHBondContact O-N 3.42Å; L774-S777 PolarHBondContact O-OG 2.86Å; L774-S777 VanDerWaalsContact O-OG 3.09Å; Y775-S777 PolarHBondContact O-N 2.94Å |
| 778 | C | 90.6 | Very high | 86.7 | Confident | 0 Ų | 0 | 72.5 Ų | 72.5 | 0% | 0 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -97.5 | -40.1 | -169.6 | -62.3 | 0 | 0 | 0 | 0 | 113.9 | Y708 V733 L774 V781 V782 | Y708-C778 HydrophobicContact CD1-CB 3.76Å; Y708-C778 HydrophobicContact CD2-CB 3.96Å; Y708-C778 HydrophobicContact CE1-CB 3.74Å; Y708-C778 HydrophobicContact CE2-CB 3.94Å; Y708-C778 HydrophobicContact CG-CB 3.9Å; V733-C778 HydrophobicContact CG1-CB 4.12Å; V733-C778 HydrophobicContact CG2-CB 4.35Å; L774-C778 VanDerWaalsContact O-CB 3.3Å; L774-C778 WeakPolarHBondContact O-CB 3.34Å; L774-C778 PolarHBondContact O-N 3.32Å; C778-V781 PolarHBondContact O-N 3.35Å; C778-V781 VanDerWaalsContact O-N 3.14Å; C778-V782 PolarHBondContact O-N 3.2Å |
| 779 | N | 90.8 | Very high | 84.4 | Confident | 31 Ų | 31 | 74.6 Ų | 74.6 | 17% | 0.166 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -58.5 | -42.4 | -174.9 | -162.6 | 83.4 | 0 | 0 | 0 | 113.7 | Y775 V781 V782 T783 | Y775-N779 HydrophobicContact CD1-CB 4.37Å; Y775-N779 HydrophobicContact CD2-CB 4.09Å; Y775-N779 HydrophobicContact CE1-CB 4.18Å; Y775-N779 HydrophobicContact CE2-CB 3.86Å; Y775-N779 WeakPolarHBondContact CE2-OD1 3.45Å; Y775-N779 HydrophobicContact CG-CB 4.32Å; Y775-N779 WeakPolarHBondContact O-CB 3.37Å; Y775-N779 PolarHBondContact O-N 2.97Å; Y775-N779 PolarHBondContact OH-ND2 3.16Å; N779-V781 PolarHBondContact O-N 3.14Å; N779-V782 PolarHBondContact O-N 2.8Å; N779-T783 WeakPolarHBondContact O-CB 3.27Å; N779-T783 WeakPolarHBondContact O-CG2 3.3Å; N779-T783 PolarHBondContact O-N 3.38Å; N779-T783 PolarHBondContact O-OG1 2.83Å |
| 780 | P | 90.1 | Very high | 81.9 | Confident | 75 Ų | 75 | 80.5 Ų | 80.5 | 49% | 0.487 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -67.6 | -15 | 179.9 | -21.1 | 34.7 | 0 | 0 | 0 | 115 | A776 K784 | A776-P780 WeakPolarHBondContact O-CD 3.46Å; A776-P780 WeakPolarHBondContact O-CG 3.42Å; P780-K784 WeakPolarHBondContact O-CG 3.28Å |
| 781 | V | 85.7 | Confident | 79.5 | Confident | 16 Ų | 16 | 84.3 Ų | 84.3 | 10% | 0.097 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -87.4 | -56.5 | 173.4 | 176.5 | 0 | 0 | 0 | 0 | 109.7 | L725 E729 V733 C778 N779 T783 K784 | L725-V781 WeakPolarHBondContact CD2-O 3.27Å; E729-V781 HydrophobicContact CB-CG1 3.7Å; E729-V781 HydrophobicContact CB-CG2 4.2Å; V733-V781 HydrophobicContact CG2-CB 3.73Å; V733-V781 HydrophobicContact CG2-CG1 3.78Å; V733-V781 HydrophobicContact CG2-CG2 4.06Å; C778-V781 PolarHBondContact O-N 3.35Å; C778-V781 VanDerWaalsContact O-N 3.14Å; N779-V781 PolarHBondContact O-N 3.14Å; V781-T783 PolarHBondContact O-N 2.83Å; V781-T783 VanDerWaalsContact O-N 3.14Å; V781-K784 WeakPolarHBondContact O-CG 3.46Å; V781-K784 PolarHBondContact O-N 3.4Å |
| 782 | V | 85.6 | Confident | 77.4 | Confident | 13 Ų | 13 | 89.7 Ų | 89.7 | 8% | 0.079 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -70.3 | -12.8 | -172 | -59.2 | 0 | 0 | 0 | 0 | 114.7 | Y708 I711 V733 C778 N779 | Y708-V782 HydrophobicContact CD1-CG1 4.31Å; Y708-V782 HydrophobicContact CD1-CG2 3.91Å; Y708-V782 HydrophobicContact CE1-CG2 3.72Å; I711-V782 HydrophobicContact CB-CG1 4.42Å; I711-V782 HydrophobicContact CD1-CB 4.1Å; I711-V782 HydrophobicContact CD1-CG1 4.42Å; I711-V782 HydrophobicContact CD1-CG2 4Å; I711-V782 HydrophobicContact CG2-CB 3.94Å; I711-V782 HydrophobicContact CG2-CG1 3.75Å; V733-V782 HydrophobicContact CG1-CG1 4.19Å; V733-V782 HydrophobicContact CG2-CG1 4.49Å; C778-V782 PolarHBondContact O-N 3.2Å; N779-V782 PolarHBondContact O-N 2.8Å |
| 783 | T | 87.5 | Confident | 74.7 | Confident | 87 Ų | 87 | 92.1 Ų | 92.1 | 53% | 0.534 | 50% | 0.498 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | 5.4 | 177.1 | 58 | 0 | 0 | 0 | 0 | 114.2 | N779 V781 | N779-T783 WeakPolarHBondContact O-CB 3.27Å; N779-T783 WeakPolarHBondContact O-CG2 3.3Å; N779-T783 PolarHBondContact O-N 3.38Å; N779-T783 PolarHBondContact O-OG1 2.83Å; V781-T783 PolarHBondContact O-N 2.83Å; V781-T783 VanDerWaalsContact O-N 3.14Å |
| 784 | K | 84.3 | Confident | 71.9 | Confident | 84 Ų | 84 | 95.9 Ų | 95.9 | 37% | 0.365 | 52% | 0.515 | S | S | . | . | P | Polyproline II helix | trans | -63.8 | 131.3 | 177.1 | -70.5 | -177.2 | -179.6 | -173.1 | 0 | 111.1 | H724 L725 E729 P780 V781 | H724-K784 PolarHBondContact NE2-O 3.14Å; L725-K784 HydrophobicContact CD2-CB 3.85Å; E729-K784 IonicContact OE1-NZ 2.67Å; E729-K784 PolarHBondContact OE1-NZ 3.28Å; E729-K784 IonicContact OE2-NZ 3.96Å; E729-K784 PolarHBondContact OE2-NZ 3.42Å; P780-K784 WeakPolarHBondContact O-CG 3.28Å; V781-K784 WeakPolarHBondContact O-CG 3.46Å; V781-K784 PolarHBondContact O-N 3.4Å |
| 785 | P | 79.1 | Confident | 69.2 | Low | 117 Ų | 117 | 104.2 Ų | 104.2 | 76% | 0.76 | 55% | 0.554 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 156 | 179.9 | 31.4 | -35.8 | 0 | 0 | 0 | 112.4 | ||
| 786 | K | 75.8 | Confident | 66.4 | Low | 110 Ų | 110 | 106.8 Ų | 106.8 | 48% | 0.478 | 57% | 0.568 | S | S | . | * | P | Polyproline II helix | trans | -57.7 | 138.8 | 173.4 | -73.6 | -177.3 | 176.5 | -168.8 | 0 | 112.2 | E720 H724 | E720-K786 WeakPolarHBondContact O-CE 3.5Å; E720-K786 PolarHBondContact O-NZ 3.45Å; H724-K786 HydrophobicContact CB-CG 4.33Å; H724-K786 WeakPolarHBondContact ND1-CG 3.44Å |
| 787 | P | 64.9 | Low | 63.3 | Low | 99 Ų | 99 | 109.3 Ų | 109.3 | 64% | 0.643 | 58% | 0.576 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 143.2 | 163.7 | -22.4 | 33.7 | 0 | 0 | 0 | 111.5 | ||
| 788 | K | 54.3 | Low | 60.6 | Low | 208 Ų | 208 | 115 Ų | 115 | 90% | 0.904 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 141.5 | 170.3 | -68.7 | -177.5 | 178.4 | -179.9 | 0 | 109.8 | ||
| 789 | V | 48 | Very low | 57.7 | Low | 141 Ų | 141 | 121.8 Ų | 121.8 | 86% | 0.855 | 64% | 0.635 | S | S | * | * | trans | -105.9 | 134 | 177.6 | -176.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 790 | E | 41.1 | Very low | 54.9 | Low | 180 Ų | 180 | 123.7 Ų | 123.7 | 84% | 0.841 | 66% | 0.662 | S | S | * | * | trans | -114.7 | 146.6 | 174 | -65.5 | -168.2 | 160.4 | 0 | 0 | 111.3 | ||||
| 791 | P | 42.5 | Very low | 52.5 | Low | 122 Ų | 122 | 125.8 Ų | 125.8 | 79% | 0.792 | 68% | 0.676 | S | S | * | * | trans | -86.5 | 155.2 | -174.7 | 34.2 | -35.6 | 0 | 0 | 0 | 114.1 | ||||
| 792 | P | 50.1 | Low | 49.9 | Very low | 126 Ų | 126 | 130.9 Ų | 130.9 | 82% | 0.818 | 71% | 0.706 | S | S | * | * | trans | -88 | 169.3 | -167.5 | 35.8 | -38.4 | 0 | 0 | 0 | 115.5 | ||||
| 793 | K | 38.2 | Very low | 47.4 | Very low | 209 Ų | 209 | 137.7 Ų | 137.7 | 91% | 0.909 | 74% | 0.743 | S | S | * | * | trans | -139.7 | 162.2 | 166.7 | -101 | -175.5 | 176.3 | -179.3 | 0 | 112.6 | ||||
| 794 | E | 35.1 | Very low | 45 | Very low | 172 Ų | 172 | 137.3 Ų | 137.3 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | trans | -97.4 | 161.3 | -158 | -57.9 | 171.2 | 86.3 | 0 | 0 | 116.2 | K796 | E794-K796 IonicContact OE1-NZ 3.6Š| ||
| 795 | E | 36.9 | Very low | 43.2 | Very low | 180 Ų | 180 | 142.6 Ų | 142.6 | 84% | 0.841 | 78% | 0.782 | S | S | * | * | trans | -86.6 | 156.7 | 165.3 | -56.1 | 179.7 | 121.2 | 0 | 0 | 113.5 | ||||
| 796 | K | 33.3 | Very low | 41.5 | Very low | 170 Ų | 170 | 141 Ų | 141 | 74% | 0.739 | 78% | 0.779 | S | S | * | * | trans | 169.2 | 137.7 | 149.9 | -90.6 | 140.5 | -159.3 | 153.7 | 0 | 107.7 | E794 | E794-K796 IonicContact OE1-NZ 3.6Š| ||
| 797 | T | 27.4 | Very low | 39.6 | Very low | 121 Ų | 121 | 144 Ų | 144 | 74% | 0.742 | 80% | 0.795 | S | S | * | * | cis | -159.9 | -176.7 | -3.4 | 6.1 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 798 | E | 31 | Very low | 39.5 | Very low | 154 Ų | 154 | 144.6 Ų | 144.6 | 72% | 0.72 | 80% | 0.798 | S | S | * | * | cis | -158.3 | 179.2 | 15.7 | -140 | -177.7 | 84.2 | 0 | 0 | 113 | ||||
| 799 | N | 30.5 | Very low | 38.5 | Very low | 142 Ų | 142 | 143.1 Ų | 143.1 | 76% | 0.759 | 80% | 0.795 | S | S | * | * | trans | -4.2 | 139.8 | 155.4 | -61.1 | -29.7 | 0 | 0 | 0 | 120.3 | ||||
| 800 | G | 30.9 | Very low | 37.8 | Very low | 71 Ų | 71 | 141.6 Ų | 141.6 | 73% | 0.732 | 79% | 0.79 | S | S | * | * | cis | 148.6 | 171.4 | 0.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 801 | P | 41.3 | Very low | 37.3 | Very low | 120 Ų | 120 | 141.8 Ų | 141.8 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | cis | -134.5 | 173.3 | 2.3 | 42.1 | -25 | 0 | 0 | 0 | 116.7 | ||||
| 802 | V | 30.7 | Very low | 37.7 | Very low | 122 Ų | 122 | 141.7 Ų | 141.7 | 74% | 0.739 | 79% | 0.791 | S | S | * | * | S | Bend | trans | 79 | 92.5 | 163.8 | -162 | 0 | 0 | 0 | 0 | 119.6 | ||
| 803 | N | 32.9 | Very low | 36.7 | Very low | 157 Ų | 157 | 139.7 Ų | 139.7 | 84% | 0.84 | 79% | 0.792 | S | S | * | * | trans | 77.7 | 51 | 140.2 | -57.4 | 8.8 | 0 | 0 | 0 | 122.9 | ||||
| 804 | G | 37.2 | Very low | 36.2 | Very low | 79 Ų | 79 | 136.9 Ų | 136.9 | 81% | 0.814 | 79% | 0.787 | S | S | * | * | 52.7 | 138 | 129.1 | 0 | 0 | 0 | 0 | 0 | 124.4 | |||||
| 805 | Q | 45.6 | Very low | 36.7 | Very low | 194 Ų | 194 | 134.3 Ų | 134.3 | 91% | 0.907 | 79% | 0.786 | S | S | * | * | trans | -152.3 | 157 | 177 | -72.4 | -174.5 | -39.2 | 0 | 0 | 114.6 | ||||
| 806 | A | 44.9 | Very low | 36.5 | Very low | 85 Ų | 85 | 131.9 Ų | 131.9 | 70% | 0.702 | 78% | 0.779 | S | S | * | * | trans | 75.8 | 173.9 | 142.1 | 0 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 807 | E | 35.6 | Very low | 36.2 | Very low | 173 Ų | 173 | 133.3 Ų | 133.3 | 81% | 0.808 | 79% | 0.785 | S | S | * | * | trans | -142.4 | -162.9 | -173.8 | -47.1 | 101.1 | 102.1 | 0 | 0 | 110.3 | ||||
| 808 | P | 62.2 | Low | 36.4 | Very low | 110 Ų | 110 | 132.6 Ų | 132.6 | 71% | 0.714 | 78% | 0.78 | S | S | * | * | cis | -143.1 | -162.5 | -5.7 | 45.7 | -24.5 | 0 | 0 | 0 | 116.8 | ||||
| 809 | E | 32.9 | Very low | 36.1 | Very low | 178 Ų | 178 | 134.1 Ų | 134.1 | 83% | 0.832 | 79% | 0.785 | S | S | * | * | trans | 52.6 | 120.3 | 151.1 | -73 | -174.7 | 145.2 | 0 | 0 | 125.9 | ||||
| 810 | S | 33.6 | Very low | 36.7 | Very low | 109 Ų | 109 | 132 Ų | 132 | 76% | 0.762 | 78% | 0.779 | S | S | * | * | 87.2 | 128.8 | 128.4 | 76.7 | 0 | 0 | 0 | 0 | 126.8 | |||||
| 811 | Q | 30.3 | Very low | 36.5 | Very low | 184 Ų | 184 | 134.2 Ų | 134.2 | 86% | 0.86 | 78% | 0.778 | S | S | * | * | trans | 53.9 | 173.7 | 143.5 | -77.3 | -162.9 | 21.4 | 0 | 0 | 123.3 | ||||
| 812 | P | 51.9 | Low | 35.8 | Very low | 120 Ų | 120 | 136 Ų | 136 | 78% | 0.779 | 78% | 0.776 | S | S | * | * | cis | -136.9 | -180 | -41.3 | 38.7 | -21.6 | 0 | 0 | 0 | 115.5 | ||||
| 813 | G | 27.7 | Very low | 35.7 | Very low | 83 Ų | 83 | 138.3 Ų | 138.3 | 86% | 0.856 | 78% | 0.779 | S | S | * | * | trans | 157.9 | 150.9 | 160.4 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 814 | N | 28.6 | Very low | 35.4 | Very low | 150 Ų | 150 | 139 Ų | 139 | 80% | 0.802 | 78% | 0.777 | S | S | * | * | trans | -163.3 | 150 | 176.6 | -172.2 | 15.5 | 0 | 0 | 0 | 111.5 | D816 | N814-D816 PolarHBondContact OD1-N 3.42Š| ||
| 815 | P | 46.1 | Very low | 34.9 | Very low | 119 Ų | 119 | 141.9 Ų | 141.9 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | -157.7 | 131.1 | 109.8 | 37.3 | -16.4 | 0 | 0 | 0 | 120.2 | |||||
| 816 | D | 32 | Very low | 34.2 | Very low | 129 Ų | 129 | 137.3 Ų | 137.3 | 69% | 0.69 | 77% | 0.774 | S | S | * | * | trans | 35 | 134.1 | 134.6 | -158.5 | 8 | 0 | 0 | 0 | 125.1 | N814 T818 | N814-D816 PolarHBondContact OD1-N 3.42Å; D816-T818 PolarHBondContact OD1-N 2.77Å | ||
| 817 | K | 28.1 | Very low | 33.4 | Very low | 199 Ų | 199 | 141.7 Ų | 141.7 | 87% | 0.865 | 78% | 0.78 | S | S | * | * | trans | -163.3 | 109.3 | 137.2 | -113.7 | 173.1 | -175.3 | 176.7 | 0 | 115.5 | ||||
| 818 | T | 30 | Very low | 33.1 | Very low | 107 Ų | 107 | 140.1 Ų | 140.1 | 66% | 0.656 | 78% | 0.777 | S | S | * | * | trans | -16.8 | 155.8 | 150.1 | 57 | 0 | 0 | 0 | 0 | 119.3 | D816 | D816-T818 PolarHBondContact OD1-N 2.77Š| ||
| 819 | K | 26 | Very low | 31.5 | Very low | 186 Ų | 186 | 144.1 Ų | 144.1 | 81% | 0.809 | 78% | 0.783 | S | S | * | * | cis | -178.3 | -165.6 | 0.6 | -118.3 | 178.8 | 177.5 | 178.1 | 0 | 108.2 | ||||
| 820 | P | 42.6 | Very low | 31.3 | Very low | 97 Ų | 97 | 143.6 Ų | 143.6 | 63% | 0.63 | 79% | 0.785 | S | S | * | * | cis | -138.2 | -179.1 | -25.7 | 32 | -9.6 | 0 | 0 | 0 | 116.6 | ||||
| 821 | T | 25.9 | Very low | 31.6 | Very low | 117 Ų | 117 | 144.3 Ų | 144.3 | 72% | 0.718 | 79% | 0.787 | S | S | * | * | trans | 63.5 | 151.1 | 145.4 | 38.5 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 822 | Q | 27.8 | Very low | 31.7 | Very low | 157 Ų | 157 | 144.9 Ų | 144.9 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | cis | -167.8 | 164.9 | -18.1 | -142.8 | 170.9 | -6.7 | 0 | 0 | 112.2 | ||||
| 823 | Q | 27.3 | Very low | 30.6 | Very low | 172 Ų | 172 | 147.5 Ų | 147.5 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | trans | 76.2 | 164.5 | 149.9 | -96.1 | 173.5 | -20.7 | 0 | 0 | 123.2 | ||||
| 824 | E | 28.3 | Very low | 30.9 | Very low | 171 Ų | 171 | 150.6 Ų | 150.6 | 80% | 0.799 | 79% | 0.791 | S | S | * | * | trans | -118.2 | 160.8 | -164.1 | -52.4 | 153.6 | 103.5 | 0 | 0 | 112.3 | ||||
| 825 | T | 26.6 | Very low | 31 | Very low | 140 Ų | 140 | 151 Ų | 151 | 86% | 0.859 | 79% | 0.791 | S | S | * | * | 168.1 | 154.7 | 118.8 | 33.6 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 826 | A | 29.4 | Very low | 30.5 | Very low | 97 Ų | 97 | 156.5 Ų | 156.5 | 80% | 0.802 | 81% | 0.814 | S | S | * | * | trans | 80.3 | 159.7 | 151 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 827 | E | 29.2 | Very low | 30.4 | Very low | 178 Ų | 178 | 157.9 Ų | 157.9 | 83% | 0.832 | 82% | 0.821 | S | S | * | * | trans | 101.7 | 140.8 | 176.1 | -64.2 | -144.5 | 137.6 | 0 | 0 | 117.9 | ||||
| 828 | N | 29.6 | Very low | 30.6 | Very low | 139 Ų | 139 | 155.7 Ų | 155.7 | 74% | 0.743 | 82% | 0.818 | S | S | * | * | cis | -156.2 | 176.6 | -28 | -144.6 | -30.3 | 0 | 0 | 0 | 110.6 | ||||
| 829 | K | 29.1 | Very low | 30.6 | Very low | 195 Ų | 195 | 158.4 Ų | 158.4 | 85% | 0.848 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 159.6 | -177.3 | -79.9 | -171.1 | 173.6 | -170.8 | 0 | 115.3 | ||
| 830 | L | 28.7 | Very low | 30.9 | Very low | 167 Ų | 167 | 156.8 Ų | 156.8 | 87% | 0.874 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -101.9 | 159.5 | 165.1 | -77.4 | 166.5 | 0 | 0 | 0 | 111.7 | ||
| 831 | P | 39.2 | Very low | 30.1 | Very low | 123 Ų | 123 | 160.6 Ų | 160.6 | 80% | 0.799 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -91.2 | 163.9 | -174.3 | 36.7 | -36.5 | 0 | 0 | 0 | 115.1 | ||
| 832 | E | 32.1 | Very low | 30.4 | Very low | 197 Ų | 197 | 163.5 Ų | 163.5 | 92% | 0.921 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -86.8 | 171.2 | 173.9 | -69.3 | 161.2 | 124.2 | 0 | 0 | 112.5 | ||
| 833 | M | 28.5 | Very low | 30.6 | Very low | 175 Ų | 175 | 163.9 Ų | 163.9 | 86% | 0.862 | 86% | 0.857 | S | S | * | * | trans | -146.2 | 120.2 | 170.2 | -170.9 | 179 | 75.9 | 0 | 0 | 109.4 | ||||
| 834 | D | 34.6 | Very low | 30.8 | Very low | 148 Ų | 148 | 163.3 Ų | 163.3 | 79% | 0.791 | 86% | 0.861 | S | S | * | * | trans | -72.1 | 161.3 | -179.2 | -57.7 | -70.2 | 0 | 0 | 0 | 113.6 | ||||
| 835 | I | 30.5 | Very low | 31.1 | Very low | 158 Ų | 158 | 162.7 Ų | 162.7 | 81% | 0.81 | 87% | 0.866 | S | S | * | * | trans | -163.9 | 151.4 | 137.1 | -97.9 | 149.2 | 0 | 0 | 0 | 108.3 | ||||
| 836 | D | 35.4 | Very low | 31.5 | Very low | 235 Ų | 235 | 164.7 Ų | 164.7 | 100% | 1.257 | 87% | 0.867 | S | S | * | * | trans | -56.4 | 0 | -172 | -52.2 | -85.7 | 0 | 0 | 0 | 116.7 |
Retrieved 836 of 836 residues in 735.5 ms
(Link to these results)