| 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 | 62.1 | Low | 94.4 | Very high | 147 Ų | 147 | 22.6 Ų | 22.6 | 72% | 0.724 | 13% | 0.134 | S | C | * | . | 0 | 123.7 | 0 | -81.2 | -167.1 | -115.8 | 0 | 0 | 107.3 | S186 L363 K364 | M1-S186 WeakPolarHBondContact CA-OG 3.34Å; M1-S186 WeakPolarHBondContact CB-OG 3.35Å; M1-S186 WeakPolarHBondContact CG-OG 3.42Å; M1-L363 HydrophobicContact SD-CD1 4.16Å; M1-K364 HydrophobicContact CB-CB 4.23Å; M1-K364 HydrophobicContact CE-CB 4.27Å | |||
| 2 | S | 89.4 | Confident | 94.8 | Very high | 44 Ų | 44 | 20.8 Ų | 20.8 | 31% | 0.308 | 12% | 0.123 | S | C | . | . | trans | -113 | 123.2 | 175.8 | 38.1 | 0 | 0 | 0 | 0 | 107.9 | P184 A185 S186 L187 | S2-P184 PolarHBondContact OG-O 3.41Å; S2-A185 VanDerWaalsContact OG-CA 3.31Å; S2-A185 WeakPolarHBondContact OG-CA 3.26Å; S2-S186 PolarHBondContact N-OG 3.17Å; S2-S186 PolarHBondContact O-N 2.94Å; S2-S186 PolarHBondContact O-OG 3.18Å; S2-S186 VanDerWaalsContact O-OG 3.07Å; S2-L187 PolarHBondContact O-N 3.16Å | ||
| 3 | V | 98.4 | Very high | 95.1 | Very high | 5 Ų | 5 | 19.2 Ų | 19.2 | 3% | 0.03 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 117 | 168.8 | 177.6 | 0 | 0 | 0 | 0 | 106.9 | L19 I24 T26 L27 L187 I189 L363 | V3-L19 HydrophobicContact CG1-CD1 4.16Å; V3-I24 HydrophobicContact CG2-CG2 3.95Å; V3-T26 HydrophobicContact CB-CG2 4.15Å; V3-T26 HydrophobicContact CG1-CG2 3.94Å; V3-T26 WeakPolarHBondContact O-CA 3.3Å; V3-L27 PolarHBondContact O-N 3.27Å; V3-L187 WeakPolarHBondContact CA-O 3.5Å; V3-L187 HydrophobicContact CG1-CD2 3.89Å; V3-L187 HydrophobicContact CG2-CB 4.42Å; V3-I189 HydrophobicContact CG1-CD1 3.71Å; V3-L363 HydrophobicContact CG2-CD1 4.2Å; V3-L363 HydrophobicContact CG2-CD2 4.14Å |
| 4 | I | 98.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 128.7 | 177.3 | -59.1 | -167.7 | 0 | 0 | 0 | 109.5 | V6 L27 I29 V170 I183 A185 L187 V188 I189 | I4-V6 HydrophobicContact CG2-CG2 4.34Å; I4-L27 CarbonylContact C-O 3.24Å; I4-L27 WeakPolarHBondContact CA-O 3.18Å; I4-L27 HydrophobicContact CD1-CD2 4.32Å; I4-L27 HydrophobicContact CG1-CB 4.41Å; I4-I29 HydrophobicContact CD1-CD1 4.33Å; I4-I29 HydrophobicContact CG2-CD1 3.52Å; I4-I29 HydrophobicContact CG2-CG1 3.88Å; I4-V170 HydrophobicContact CB-CG2 4.22Å; I4-V170 HydrophobicContact CD1-CB 4.37Å; I4-V170 HydrophobicContact CD1-CG2 4.06Å; I4-V170 HydrophobicContact CG2-CG2 3.91Å; I4-I183 HydrophobicContact CD1-CB 4.1Å; I4-I183 HydrophobicContact CD1-CG2 3.66Å; I4-A185 HydrophobicContact CB-CB 4.34Å; I4-A185 HydrophobicContact CD1-CB 3.71Å; I4-A185 HydrophobicContact CG1-CB 3.85Å; I4-L187 PolarHBondContact N-O 3.23Å; I4-V188 CarbonylContact O-C 3.55Å; I4-V188 WeakPolarHBondContact O-CA 3.26Å; I4-I189 PolarHBondContact O-N 3.49Å |
| 5 | I | 98.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 125.2 | 172.3 | -63.8 | 167.8 | 0 | 0 | 0 | 107.7 | T15 A16 L19 T26 L27 I28 I29 I189 T191 | I5-T15 HydrophobicContact CD1-CG2 4.31Å; I5-A16 HydrophobicContact CD1-CB 3.69Å; I5-L19 HydrophobicContact CD1-CD1 4.45Å; I5-T26 HydrophobicContact CD1-CG2 4Å; I5-L27 PolarHBondContact N-O 2.99Å; I5-I28 HydrophobicContact CB-CG1 4.26Å; I5-I28 HydrophobicContact CD1-CG1 4.36Å; I5-I28 CarbonylContact O-C 3.52Å; I5-I28 WeakPolarHBondContact O-CA 3.36Å; I5-I29 PolarHBondContact O-N 3.1Å; I5-I189 CarbonylContact C-O 3.48Å; I5-I189 WeakPolarHBondContact CA-O 3.39Å; I5-I189 HydrophobicContact CD1-CD1 4.39Å; I5-I189 HydrophobicContact CG1-CB 4.12Å; I5-I189 HydrophobicContact CG1-CD1 3.77Å; I5-I189 HydrophobicContact CG1-CG1 4.46Å; I5-T191 HydrophobicContact CG2-CG2 4.5Å; I5-T191 WeakPolarHBondContact CG2-OG1 3.45Å |
| 6 | V | 98.6 | Very high | 95.8 | Very high | 6 Ų | 6 | 15.6 Ų | 15.6 | 4% | 0.036 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 109.1 | 179.2 | -176.5 | 0 | 0 | 0 | 0 | 109.5 | I4 V152 V170 V188 I189 L190 T191 T192 W202 | I4-V6 HydrophobicContact CG2-CG2 4.34Å; V6-V152 HydrophobicContact CB-CG2 4.45Å; V6-V152 HydrophobicContact CG1-CB 3.83Å; V6-V152 HydrophobicContact CG1-CG1 4.12Å; V6-V152 HydrophobicContact CG1-CG2 3.59Å; V6-V152 HydrophobicContact CG2-CG2 4.15Å; V6-V170 HydrophobicContact CG2-CG1 4.32Å; V6-V188 HydrophobicContact CG2-CG1 4.06Å; V6-I189 PolarHBondContact N-O 2.68Å; V6-L190 HydrophobicContact CB-CD2 4.12Å; V6-L190 HydrophobicContact CG2-CD2 4.11Å; V6-T191 CarbonylContact O-C 3.55Å; V6-T191 WeakPolarHBondContact O-CA 3.19Å; V6-T191 PolarHBondContact O-N 2.98Å; V6-T191 PolarHBondContact O-OG1 3.43Å; V6-T192 HydrophobicContact CB-CG2 4.31Å; V6-T192 HydrophobicContact CG1-CG2 3.68Å; V6-W202 HydrophobicContact CG1-CZ3 4.22Å |
| 7 | G | 98.2 | Very high | 96 | Very high | 11 Ų | 11 | 14.6 Ų | 14.6 | 11% | 0.113 | 9% | 0.087 | C | C | . | . | trans | 105.9 | 117.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | G9 G12 I29 T191 | G7-G9 VanDerWaalsContact C-N 3.31Å; G7-G9 PolarHBondContact O-N 3.39Å; G7-G12 WeakPolarHBondContact O-CA 3.36Å; G7-I29 PolarHBondContact N-O 2.96Å; G7-T191 PolarHBondContact O-OG1 2.84Å | ||
| 8 | G | 98.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 8% | 0.082 | C | C | . | . | trans | -92 | 31.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | E30 L34 G35 | G8-E30 WeakPolarHBondContact CA-OE2 3.45Å; G8-E30 PolarHBondContact N-OE2 3.48Å; G8-L34 WeakPolarHBondContact O-CA 3.42Å; G8-G35 PolarHBondContact O-N 3.49Å | ||
| 9 | G | 98.4 | Very high | 96.2 | Very high | 16 Ų | 16 | 13.1 Ų | 13.1 | 17% | 0.165 | 8% | 0.078 | C | C | . | . | S | Bend | trans | -79.3 | -175.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | G7 M11 G12 V13 | G7-G9 VanDerWaalsContact C-N 3.31Å; G7-G9 PolarHBondContact O-N 3.39Å; G9-M11 PolarHBondContact O-N 2.85Å; G9-G12 PolarHBondContact O-N 3.32Å; G9-V13 PolarHBondContact O-N 2.94Å |
| 10 | I | 98.7 | Very high | 96.4 | Very high | 6 Ų | 6 | 12.5 Ų | 12.5 | 3% | 0.031 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -52.9 | -42.5 | -177.9 | -169.9 | 62.5 | 0 | 0 | 0 | 111.9 | G12 V13 S14 S39 L129 L133 G341 I342 | I10-G12 PolarHBondContact O-N 3.47Å; I10-V13 HydrophobicContact CD1-CG2 4.47Å; I10-V13 WeakPolarHBondContact O-CG2 3.32Å; I10-S14 WeakPolarHBondContact O-CB 3.47Å; I10-S14 PolarHBondContact O-N 2.63Å; I10-S14 PolarHBondContact O-OG 3.24Å; I10-S39 WeakPolarHBondContact CG2-OG 3.27Å; I10-S39 PolarHBondContact N-OG 3.07Å; I10-L129 HydrophobicContact CD1-CD2 3.91Å; I10-L129 HydrophobicContact CD1-CG 4.07Å; I10-L133 HydrophobicContact CD1-CD1 3.64Å; I10-G341 WeakPolarHBondContact CG2-O 3.46Å; I10-I342 HydrophobicContact CB-CD1 4.48Å |
| 11 | M | 98.6 | Very high | 96.4 | Very high | 14 Ų | 14 | 12.9 Ų | 12.9 | 7% | 0.069 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -61.6 | -47.3 | 177.2 | -68.1 | -52.4 | -178.7 | 0 | 0 | 112.8 | G9 S14 T15 T191 N337 S348 | G9-M11 PolarHBondContact O-N 2.85Å; M11-S14 PolarHBondContact O-N 3.13Å; M11-T15 WeakPolarHBondContact O-CB 3.44Å; M11-T15 PolarHBondContact O-N 3.41Å; M11-T15 PolarHBondContact O-OG1 3.26Å; M11-T191 HydrophobicContact CB-CG2 3.72Å; M11-N337 HydrophobicContact CE-CB 3.86Å; M11-N337 WeakPolarHBondContact CE-ND2 3.06Å; M11-N337 WeakPolarHBondContact CE-OD1 3.47Å; M11-S348 VanDerWaalsContact SD-CB 3.59Å |
| 12 | G | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 7.2 Ų | 7.2 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -64.5 | -46.8 | -178 | 0 | 0 | 0 | 0 | 0 | 112.3 | G7 G9 I10 T15 A16 T191 | G7-G12 WeakPolarHBondContact O-CA 3.36Å; G9-G12 PolarHBondContact O-N 3.32Å; I10-G12 PolarHBondContact O-N 3.47Å; G12-T15 PolarHBondContact O-N 3.45Å; G12-A16 WeakPolarHBondContact O-CB 3.42Å; G12-A16 PolarHBondContact O-N 3.12Å; G12-T191 WeakPolarHBondContact CA-OG1 3.19Å |
| 13 | V | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -71.2 | -34.5 | 179.5 | -57.5 | 0 | 0 | 0 | 0 | 112.4 | G9 I10 A16 Y17 I28 L34 T130 L133 F134 | G9-V13 PolarHBondContact O-N 2.94Å; I10-V13 HydrophobicContact CD1-CG2 4.47Å; I10-V13 WeakPolarHBondContact O-CG2 3.32Å; V13-A16 PolarHBondContact O-N 2.87Å; V13-Y17 VanDerWaalsContact O-CB 3.28Å; V13-Y17 WeakPolarHBondContact O-CB 3.33Å; V13-Y17 PolarHBondContact O-N 2.87Å; V13-I28 HydrophobicContact CG1-CD1 4.24Å; V13-L34 HydrophobicContact CG1-CD2 4Å; V13-T130 HydrophobicContact CB-CG2 4.5Å; V13-T130 HydrophobicContact CG1-CG2 4.02Å; V13-T130 HydrophobicContact CG2-CG2 3.7Å; V13-L133 HydrophobicContact CB-CB 4.22Å; V13-L133 HydrophobicContact CG2-CB 3.92Å; V13-L133 HydrophobicContact CG2-CD1 4.03Å; V13-F134 HydrophobicContact CB-CB 4.31Å; V13-F134 HydrophobicContact CG1-CB 4Å |
| 14 | S | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 6.9 Ų | 6.9 | 0% | 0 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -65.1 | -46.3 | 173.3 | -67.2 | 0 | 0 | 0 | 0 | 111 | I10 M11 A16 Y17 Y18 L133 P346 | I10-S14 WeakPolarHBondContact O-CB 3.47Å; I10-S14 PolarHBondContact O-N 2.63Å; I10-S14 PolarHBondContact O-OG 3.24Å; M11-S14 PolarHBondContact O-N 3.13Å; S14-A16 PolarHBondContact O-N 2.85Å; S14-Y17 WeakPolarHBondContact O-CB 3.07Å; S14-Y17 PolarHBondContact O-N 3.4Å; S14-Y18 WeakPolarHBondContact O-CD2 3.37Å; S14-Y18 PolarHBondContact O-N 2.86Å; S14-L133 WeakPolarHBondContact OG-CD1 3.4Å; S14-P346 WeakPolarHBondContact OG-CA 3.38Å |
| 15 | T | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 9.6 Ų | 9.6 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -62 | -43.4 | 175.6 | -62.1 | 0 | 0 | 0 | 0 | 111.7 | I5 M11 G12 Y17 Y18 L19 I189 G349 L352 | I5-T15 HydrophobicContact CD1-CG2 4.31Å; M11-T15 WeakPolarHBondContact O-CB 3.44Å; M11-T15 PolarHBondContact O-N 3.41Å; M11-T15 PolarHBondContact O-OG1 3.26Å; G12-T15 PolarHBondContact O-N 3.45Å; T15-Y17 VanDerWaalsContact C-N 3.29Å; T15-Y17 PolarHBondContact O-N 2.92Å; T15-Y18 PolarHBondContact O-N 2.79Å; T15-L19 HydrophobicContact CG2-CD1 3.81Å; T15-L19 HydrophobicContact CG2-CG 4.38Å; T15-L19 WeakPolarHBondContact O-CB 3.34Å; T15-L19 WeakPolarHBondContact O-CG 3.32Å; T15-L19 PolarHBondContact O-N 3.2Å; T15-I189 HydrophobicContact CG2-CD1 3.91Å; T15-I189 HydrophobicContact CG2-CG2 4.47Å; T15-G349 WeakPolarHBondContact OG1-CA 3.4Å; T15-L352 HydrophobicContact CG2-CD2 4.11Å |
| 16 | A | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 9.9 Ų | 9.9 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -58.7 | -42.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | I5 G12 V13 S14 S20 I28 A137 T145 | I5-A16 HydrophobicContact CD1-CB 3.69Å; G12-A16 WeakPolarHBondContact O-CB 3.42Å; G12-A16 PolarHBondContact O-N 3.12Å; V13-A16 PolarHBondContact O-N 2.87Å; S14-A16 PolarHBondContact O-N 2.85Å; A16-S20 VanDerWaalsContact O-CB 3.3Å; A16-S20 WeakPolarHBondContact O-CB 3.38Å; A16-S20 PolarHBondContact O-N 3.35Å; A16-I28 HydrophobicContact CB-CD1 3.73Å; A16-I28 HydrophobicContact CB-CG1 4.24Å; A16-A137 HydrophobicContact CB-CB 4.42Å; A16-T145 HydrophobicContact CB-CG2 4.35Å |
| 17 | Y | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 11.5 Ų | 11.5 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -62.2 | -48 | 177.8 | 177.4 | -119.7 | 0 | 0 | 0 | 112.7 | V13 S14 T15 S20 K21 L70 E73 F74 L133 R136 L140 | V13-Y17 VanDerWaalsContact O-CB 3.28Å; V13-Y17 WeakPolarHBondContact O-CB 3.33Å; V13-Y17 PolarHBondContact O-N 2.87Å; S14-Y17 WeakPolarHBondContact O-CB 3.07Å; S14-Y17 PolarHBondContact O-N 3.4Å; T15-Y17 VanDerWaalsContact C-N 3.29Å; T15-Y17 PolarHBondContact O-N 2.92Å; Y17-S20 WeakPolarHBondContact O-CB 3.4Å; Y17-S20 PolarHBondContact O-N 3.06Å; Y17-S20 PolarHBondContact O-OG 3.13Å; Y17-K21 PolarHBondContact O-N 3.27Å; Y17-K21 WeakPolarHBondContact OH-CE 3.39Å; Y17-K21 PolarHBondContact OH-NZ 3.29Å; Y17-L70 HydrophobicContact CE1-CD2 3.82Å; Y17-E73 PolarHBondContact OH-OE1 3.4Å; Y17-E73 PolarHBondContact OH-OE2 2.9Å; Y17-F74 HydrophobicContact CE1-CZ 4.1Å; Y17-F74 HydrophobicContact CE2-CE1 4.44Å; Y17-F74 HydrophobicContact CE2-CZ 4.31Å; Y17-F74 AromaticContact CZ-CE1 3.96Å; Y17-F74 AromaticContact CZ-CZ 3.78Å; Y17-F74 WeakPolarHBondContact OH-CE1 3.4Å; Y17-L133 HydrophobicContact CD1-CD2 3.49Å; Y17-L133 VanDerWaalsContact CD1-CD2 3.49Å; Y17-L133 HydrophobicContact CE1-CD2 4Å; Y17-L133 HydrophobicContact CG-CD2 3.82Å; Y17-R136 HydrophobicContact CD2-CB 3.8Å; Y17-R136 HydrophobicContact CE2-CB 3.54Å; Y17-R136 HydrophobicContact CE2-CG 4.49Å; Y17-L140 HydrophobicContact CD2-CD1 4.07Å; Y17-L140 HydrophobicContact CE2-CD1 3.67Å |
| 18 | Y | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -73.4 | -30.6 | 179.7 | -66.8 | -65.5 | 0 | 0 | 0 | 113.3 | S14 T15 S20 K21 R22 L66 P346 R350 T353 E379 | S14-Y18 WeakPolarHBondContact O-CD2 3.37Å; S14-Y18 PolarHBondContact O-N 2.86Å; T15-Y18 PolarHBondContact O-N 2.79Å; Y18-S20 VanDerWaalsContact C-N 3.33Å; Y18-K21 HydrophobicContact CD1-CD 4.39Å; Y18-K21 PolarHBondContact O-N 3.26Å; Y18-R22 PolarHBondContact O-N 2.92Å; Y18-L66 WeakPolarHBondContact OH-CD2 3.13Å; Y18-P346 WeakPolarHBondContact CE2-O 3.47Å; Y18-R350 HydrophobicContact CD1-CB 4.09Å; Y18-R350 HydrophobicContact CD1-CG 4.24Å; Y18-R350 HydrophobicContact CD2-CB 3.68Å; Y18-R350 VanDerWaalsContact CD2-N 3.26Å; Y18-R350 HydrophobicContact CE1-CB 4.18Å; Y18-R350 HydrophobicContact CE1-CG 4.42Å; Y18-R350 VanDerWaalsContact CE1-NE 3.31Å; Y18-R350 HydrophobicContact CE2-CB 3.8Å; Y18-R350 HydrophobicContact CG-CB 3.85Å; Y18-R350 HydrophobicContact CG-CG 4.36Å; Y18-T353 WeakPolarHBondContact CB-OG1 3.42Å; Y18-E379 WeakPolarHBondContact CD1-OE1 3.4Å |
| 19 | L | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -63.5 | -40.3 | 167.6 | -76.2 | 168.4 | 0 | 0 | 0 | 111.2 | V3 I5 T15 K21 R22 K23 I24 T26 I189 T353 | V3-L19 HydrophobicContact CG1-CD1 4.16Å; I5-L19 HydrophobicContact CD1-CD1 4.45Å; T15-L19 HydrophobicContact CG2-CD1 3.81Å; T15-L19 HydrophobicContact CG2-CG 4.38Å; T15-L19 WeakPolarHBondContact O-CB 3.34Å; T15-L19 WeakPolarHBondContact O-CG 3.32Å; T15-L19 PolarHBondContact O-N 3.2Å; L19-K21 VanDerWaalsContact C-N 3.33Å; L19-K21 PolarHBondContact O-N 2.77Å; L19-R22 CarbonylContact O-C 3.54Å; L19-R22 WeakPolarHBondContact O-CA 3.5Å; L19-R22 PolarHBondContact O-N 3.24Å; L19-K23 PolarHBondContact O-N 3.35Å; L19-I24 HydrophobicContact CB-CB 4.14Å; L19-I24 HydrophobicContact CB-CG2 4.3Å; L19-I24 HydrophobicContact CD2-CB 4.29Å; L19-I24 HydrophobicContact CD2-CD1 3.8Å; L19-I24 HydrophobicContact CD2-CG2 4.15Å; L19-I24 WeakPolarHBondContact O-CB 3.2Å; L19-I24 PolarHBondContact O-N 3.04Å; L19-T26 HydrophobicContact CB-CG2 4.1Å; L19-T26 HydrophobicContact CD1-CG2 3.66Å; L19-I189 HydrophobicContact CD1-CD1 3.86Å; L19-T353 HydrophobicContact CD2-CG2 3.83Å; L19-T353 HydrophobicContact CG-CG2 4.01Å |
| 20 | S | 98.5 | Very high | 98.3 | Very high | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -62.4 | -38.2 | 177.2 | 81.8 | 0 | 0 | 0 | 0 | 112.1 | A16 Y17 Y18 R22 K23 A137 L140 V371 | A16-S20 VanDerWaalsContact O-CB 3.3Å; A16-S20 WeakPolarHBondContact O-CB 3.38Å; A16-S20 PolarHBondContact O-N 3.35Å; Y17-S20 WeakPolarHBondContact O-CB 3.4Å; Y17-S20 PolarHBondContact O-N 3.06Å; Y17-S20 PolarHBondContact O-OG 3.13Å; Y18-S20 VanDerWaalsContact C-N 3.33Å; S20-R22 PolarHBondContact O-N 3.13Å; S20-K23 WeakPolarHBondContact O-CA 3.39Å; S20-K23 PolarHBondContact O-N 3.44Å; S20-A137 WeakPolarHBondContact OG-CA 3.5Å; S20-L140 VanDerWaalsContact OG-CD1 3.26Å; S20-L140 WeakPolarHBondContact OG-CD1 2.92Å; S20-V371 VanDerWaalsContact O-CG2 3.26Å; S20-V371 WeakPolarHBondContact O-CG2 3.33Å |
| 21 | K | 98.1 | Very high | 98 | Very high | 22 Ų | 22 | 13.8 Ų | 13.8 | 10% | 0.096 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -62.6 | -17.9 | 171.7 | -75 | -165 | 170.7 | -173.7 | 0 | 113.4 | Y17 Y18 L19 E73 L140 V371 E379 | Y17-K21 PolarHBondContact O-N 3.27Å; Y17-K21 WeakPolarHBondContact OH-CE 3.39Å; Y17-K21 PolarHBondContact OH-NZ 3.29Å; Y18-K21 HydrophobicContact CD1-CD 4.39Å; Y18-K21 PolarHBondContact O-N 3.26Å; L19-K21 VanDerWaalsContact C-N 3.33Å; L19-K21 PolarHBondContact O-N 2.77Å; K21-E73 IonicContact NZ-OE1 2.71Å; K21-E73 IonicContact NZ-OE2 3.49Å; K21-E73 PolarHBondContact NZ-OE2 3.34Å; K21-L140 HydrophobicContact CG-CD1 3.67Å; K21-V371 WeakPolarHBondContact O-CG1 3.18Å; K21-E379 HydrophobicContact CB-CB 4.17Å; K21-E379 HydrophobicContact CB-CG 3.8Å; K21-E379 HydrophobicContact CD-CB 4.34Å; K21-E379 HydrophobicContact CD-CG 4.16Å |
| 22 | R | 97.6 | Very high | 97.6 | Very high | 27 Ų | 27 | 16 Ų | 16 | 10% | 0.102 | 8% | 0.075 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | 20.5 | 173.3 | -58 | -65 | -61.3 | -81.3 | 9.1 | 112.5 | Y18 L19 S20 I24 L357 E379 E380 | Y18-R22 PolarHBondContact O-N 2.92Å; L19-R22 CarbonylContact O-C 3.54Å; L19-R22 WeakPolarHBondContact O-CA 3.5Å; L19-R22 PolarHBondContact O-N 3.24Å; S20-R22 PolarHBondContact O-N 3.13Å; R22-I24 VanDerWaalsContact C-N 3.32Å; R22-I24 HydrophobicContact CB-CD1 4.13Å; R22-I24 PolarHBondContact O-N 3.19Å; R22-L357 HydrophobicContact CB-CD1 3.81Å; R22-L357 HydrophobicContact CG-CD1 3.58Å; R22-E379 HydrophobicContact CG-CG 4.45Å; R22-E380 IonicContact CZ-OE2 2.58Å; R22-E380 IonicContact NE-OE2 3.68Å; R22-E380 IonicContact NH2-OE1 3.19Å; R22-E380 IonicContact NH2-OE2 2.71Å; R22-E380 PolarHBondContact NH2-OE2 3.1Å |
| 23 | K | 97.2 | Very high | 97.4 | Very high | 39 Ų | 39 | 21.4 Ų | 21.4 | 17% | 0.17 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.1 | 32.3 | 179.4 | -53 | -173.9 | -175.4 | -179 | 0 | 113.3 | L19 S20 Q365 S366 V371 D373 | L19-K23 PolarHBondContact O-N 3.35Å; S20-K23 WeakPolarHBondContact O-CA 3.39Å; S20-K23 PolarHBondContact O-N 3.44Å; K23-Q365 HydrophobicContact CB-CB 4.17Å; K23-Q365 HydrophobicContact CB-CG 4.42Å; K23-Q365 CarbonylContact O-C 3.57Å; K23-Q365 WeakPolarHBondContact O-CA 3.33Å; K23-S366 PolarHBondContact O-N 2.85Å; K23-V371 WeakPolarHBondContact CE-O 3.16Å; K23-V371 HydrophobicContact CG-CB 3.91Å; K23-V371 HydrophobicContact CG-CG1 4.13Å; K23-V371 HydrophobicContact CG-CG2 4.35Å; K23-V371 PolarHBondContact NZ-O 3.18Å; K23-D373 IonicContact NZ-OD1 3.29Å; K23-D373 PolarHBondContact NZ-OD1 2.97Å |
| 24 | I | 97.9 | Very high | 97.4 | Very high | 3 Ų | 3 | 21.9 Ų | 21.9 | 2% | 0.015 | 10% | 0.103 | C | C | . | . | trans | -107.7 | 120.8 | -179.8 | -66.2 | 152.5 | 0 | 0 | 0 | 110.3 | V3 L19 R22 T26 L357 L363 | V3-I24 HydrophobicContact CG2-CG2 3.95Å; L19-I24 HydrophobicContact CB-CB 4.14Å; L19-I24 HydrophobicContact CB-CG2 4.3Å; L19-I24 HydrophobicContact CD2-CB 4.29Å; L19-I24 HydrophobicContact CD2-CD1 3.8Å; L19-I24 HydrophobicContact CD2-CG2 4.15Å; L19-I24 WeakPolarHBondContact O-CB 3.2Å; L19-I24 PolarHBondContact O-N 3.04Å; R22-I24 VanDerWaalsContact C-N 3.32Å; R22-I24 HydrophobicContact CB-CD1 4.13Å; R22-I24 PolarHBondContact O-N 3.19Å; I24-T26 HydrophobicContact CG2-CG2 4.49Å; I24-L357 HydrophobicContact CD1-CD1 4.31Å; I24-L357 HydrophobicContact CD1-CD2 3.33Å; I24-L357 HydrophobicContact CD1-CG 4.36Å; I24-L363 HydrophobicContact CD1-CD2 3.86Å; I24-L363 HydrophobicContact CD1-CG 4.38Å; I24-L363 HydrophobicContact CG1-CD2 4.4Å; I24-L363 HydrophobicContact CG2-CD2 4.2Å | ||
| 25 | D | 97.9 | Very high | 97.2 | Very high | 58 Ų | 58 | 22 Ų | 22 | 31% | 0.31 | 11% | 0.105 | S | C | . | . | trans | -76.3 | 140.7 | 175.2 | -63.4 | -18.5 | 0 | 0 | 0 | 110.6 | T141 S366 | D25-T141 VanDerWaalsContact OD1-CB 3.29Å; D25-T141 WeakPolarHBondContact OD1-CB 3.48Å; D25-T141 VanDerWaalsContact OD1-CG2 3.29Å; D25-T141 WeakPolarHBondContact OD1-CG2 3.31Å; D25-S366 WeakPolarHBondContact OD2-CB 3.28Å; D25-S366 PolarHBondContact OD2-OG 2.9Å | ||
| 26 | T | 98.6 | Very high | 96.9 | Very high | 5 Ų | 5 | 22.7 Ų | 22.7 | 3% | 0.031 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 147.9 | -179.3 | 61.9 | 0 | 0 | 0 | 0 | 111.9 | V3 I5 L19 I24 T145 K146 | V3-T26 HydrophobicContact CB-CG2 4.15Å; V3-T26 HydrophobicContact CG1-CG2 3.94Å; V3-T26 WeakPolarHBondContact O-CA 3.3Å; I5-T26 HydrophobicContact CD1-CG2 4Å; L19-T26 HydrophobicContact CB-CG2 4.1Å; L19-T26 HydrophobicContact CD1-CG2 3.66Å; I24-T26 HydrophobicContact CG2-CG2 4.49Å; T26-T145 CarbonylContact O-C 3.6Å; T26-T145 VanDerWaalsContact O-CA 3.24Å; T26-T145 WeakPolarHBondContact O-CA 3.21Å; T26-T145 VanDerWaalsContact OG1-CG2 3.3Å; T26-T145 WeakPolarHBondContact OG1-CG2 3.42Å; T26-T145 PolarHBondContact OG1-OG1 2.8Å; T26-K146 PolarHBondContact O-N 3.06Å |
| 27 | L | 98.5 | Very high | 96.7 | Very high | 40 Ų | 40 | 23.6 Ų | 23.6 | 21% | 0.209 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 112 | 165.4 | 177.6 | 64.5 | 0 | 0 | 0 | 108.4 | V3 I4 I5 I29 K146 K148 I183 | V3-L27 PolarHBondContact O-N 3.27Å; I4-L27 CarbonylContact C-O 3.24Å; I4-L27 WeakPolarHBondContact CA-O 3.18Å; I4-L27 HydrophobicContact CD1-CD2 4.32Å; I4-L27 HydrophobicContact CG1-CB 4.41Å; I5-L27 PolarHBondContact N-O 2.99Å; L27-I29 HydrophobicContact CD2-CD1 4.47Å; L27-I29 HydrophobicContact CD2-CG1 4.31Å; L27-I29 HydrophobicContact CG-CG1 4.18Å; L27-K146 HydrophobicContact CD1-CB 3.94Å; L27-K148 HydrophobicContact CD1-CB 4.02Å; L27-I183 HydrophobicContact CD2-CD1 4.37Å; L27-I183 HydrophobicContact CD2-CG2 4.1Å |
| 28 | I | 98.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 125 | 169.9 | -53.5 | -178 | 0 | 0 | 0 | 108 | I5 V13 A16 F134 K146 L147 K148 | I5-I28 HydrophobicContact CB-CG1 4.26Å; I5-I28 HydrophobicContact CD1-CG1 4.36Å; I5-I28 CarbonylContact O-C 3.52Å; I5-I28 WeakPolarHBondContact O-CA 3.36Å; V13-I28 HydrophobicContact CG1-CD1 4.24Å; A16-I28 HydrophobicContact CB-CD1 3.73Å; A16-I28 HydrophobicContact CB-CG1 4.24Å; I28-F134 HydrophobicContact CD1-CD2 3.63Å; I28-F134 HydrophobicContact CD1-CE2 3.81Å; I28-F134 HydrophobicContact CG1-CE2 4.5Å; I28-K146 PolarHBondContact N-O 3.08Å; I28-L147 HydrophobicContact CB-CD1 4.15Å; I28-L147 HydrophobicContact CG2-CD1 4.06Å; I28-L147 CarbonylContact O-C 3.57Å; I28-L147 WeakPolarHBondContact O-CA 3.03Å; I28-K148 PolarHBondContact O-N 3.13Å |
| 29 | I | 97.8 | Very high | 96.3 | Very high | 2 Ų | 2 | 25.6 Ų | 25.6 | 1% | 0.01 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 116.6 | 170.9 | -53 | 176.4 | 0 | 0 | 0 | 107.7 | I4 I5 G7 L27 K148 A150 V152 V170 V172 I183 | I4-I29 HydrophobicContact CD1-CD1 4.33Å; I4-I29 HydrophobicContact CG2-CD1 3.52Å; I4-I29 HydrophobicContact CG2-CG1 3.88Å; I5-I29 PolarHBondContact O-N 3.1Å; G7-I29 PolarHBondContact N-O 2.96Å; L27-I29 HydrophobicContact CD2-CD1 4.47Å; L27-I29 HydrophobicContact CD2-CG1 4.31Å; L27-I29 HydrophobicContact CG-CG1 4.18Å; I29-K148 WeakPolarHBondContact CA-O 3.5Å; I29-A150 HydrophobicContact CG2-CB 4.12Å; I29-A150 WeakPolarHBondContact CG2-O 3.34Å; I29-V152 HydrophobicContact CB-CG2 4Å; I29-V152 HydrophobicContact CD1-CG2 4.36Å; I29-V152 HydrophobicContact CG2-CG2 3.59Å; I29-V170 HydrophobicContact CD1-CB 4.4Å; I29-V170 HydrophobicContact CD1-CG1 4.14Å; I29-V172 HydrophobicContact CD1-CG1 3.97Å; I29-V172 HydrophobicContact CG2-CG1 4.25Å; I29-I183 HydrophobicContact CD1-CD1 3.86Å |
| 30 | E | 96.4 | Very high | 96.2 | Very high | 22 Ų | 22 | 26.1 Ų | 26.1 | 10% | 0.103 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 141.2 | -179 | 171.3 | 44.9 | -123.4 | 0 | 0 | 108.8 | G8 E32 Q33 L147 K148 I149 A150 | G8-E30 WeakPolarHBondContact CA-OE2 3.45Å; G8-E30 PolarHBondContact N-OE2 3.48Å; E30-E32 PolarHBondContact OE1-N 3.04Å; E30-Q33 VanDerWaalsContact CG-C 3.49Å; E30-Q33 WeakPolarHBondContact CG-O 3.38Å; E30-L147 HydrophobicContact CB-CD1 3.81Å; E30-K148 PolarHBondContact N-O 2.93Å; E30-I149 HydrophobicContact CB-CD1 4.26Å; E30-I149 HydrophobicContact CG-CD1 4.46Å; E30-I149 CarbonylContact O-C 3.42Å; E30-I149 WeakPolarHBondContact O-CA 3.42Å; E30-A150 CarbonylContact C-O 3.47Å; E30-A150 PolarHBondContact O-N 3.13Å; E30-A150 VanDerWaalsContact O-O 3.12Å |
| 31 | K | 92.4 | Very high | 96 | Very high | 58 Ų | 58 | 30 Ų | 30 | 25% | 0.252 | 15% | 0.152 | S | C | . | . | S | Bend | trans | -68.3 | -40.1 | -177 | -171.6 | -172.7 | 175.7 | -164.7 | 0 | 111.9 | I149 A150 R151 S274 D276 | K31-I149 WeakPolarHBondContact O-CG2 3.47Å; K31-A150 WeakPolarHBondContact CA-O 3.12Å; K31-R151 HydrophobicContact CD-CG 4.49Å; K31-R151 HydrophobicContact CG-CB 4.17Å; K31-R151 HydrophobicContact CG-CG 4.49Å; K31-S274 PolarHBondContact NZ-OG 3.26Å; K31-S274 VanDerWaalsContact NZ-OG 3.09Å; K31-D276 IonicContact NZ-OD1 3.07Å; K31-D276 PolarHBondContact NZ-OD1 2.87Å |
| 32 | E | 90.6 | Very high | 95.9 | Very high | 59 Ų | 59 | 30.1 Ų | 30.1 | 28% | 0.276 | 16% | 0.157 | S | C | . | . | S | Bend | trans | -125.3 | -82.4 | -172.6 | -66.6 | 174.7 | -163.1 | 0 | 0 | 111.8 | E30 I149 K275 | E30-E32 PolarHBondContact OE1-N 3.04Å; E32-I149 WeakPolarHBondContact O-CD1 3.48Å; E32-I149 WeakPolarHBondContact O-CG2 3.13Å; E32-K275 WeakPolarHBondContact OE2-CD 3.41Å; E32-K275 WeakPolarHBondContact OE2-CE 3.38Å; E32-K275 IonicContact OE2-NZ 2.87Å; E32-K275 PolarHBondContact OE2-NZ 2.88Å |
| 33 | Q | 94.3 | Very high | 95.9 | Very high | 114 Ų | 114 | 29.2 Ų | 29.2 | 53% | 0.533 | 16% | 0.156 | S | C | . | . | S | Bend | trans | -142.9 | 152.4 | -176.5 | -179.7 | -173.7 | 21.8 | 0 | 0 | 108 | E30 G35 S36 | E30-Q33 VanDerWaalsContact CG-C 3.49Å; E30-Q33 WeakPolarHBondContact CG-O 3.38Å; Q33-G35 PolarHBondContact O-N 2.83Å; Q33-S36 WeakPolarHBondContact O-CB 3.31Å; Q33-S36 PolarHBondContact O-N 2.71Å; Q33-S36 VanDerWaalsContact O-N 3.12Å; Q33-S36 PolarHBondContact O-OG 2.88Å |
| 34 | L | 97.3 | Very high | 95.9 | Very high | 10 Ų | 10 | 27.5 Ų | 27.5 | 5% | 0.052 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.8 | 133.9 | 170.5 | -61.9 | -179.6 | 0 | 0 | 0 | 111.8 | G8 V13 S36 K127 T130 F134 L147 | G8-L34 WeakPolarHBondContact O-CA 3.42Å; V13-L34 HydrophobicContact CG1-CD2 4Å; L34-S36 PolarHBondContact O-N 2.67Å; L34-S36 VanDerWaalsContact O-N 3.12Å; L34-K127 PolarHBondContact O-NZ 2.92Å; L34-T130 HydrophobicContact CB-CG2 4.36Å; L34-F134 HydrophobicContact CD1-CB 3.63Å; L34-F134 HydrophobicContact CD1-CD1 3.35Å; L34-F134 HydrophobicContact CD1-CD2 4.2Å; L34-F134 HydrophobicContact CD1-CE1 4.03Å; L34-F134 HydrophobicContact CD1-CG 3.44Å; L34-F134 VanDerWaalsContact CD1-CG 3.44Å; L34-L147 HydrophobicContact CD1-CD2 4.19Å; L34-L147 HydrophobicContact CD2-CD1 3.74Å; L34-L147 HydrophobicContact CD2-CD2 4.06Å; L34-L147 HydrophobicContact CG-CD1 4.44Å; L34-L147 HydrophobicContact CG-CD2 3.84Å |
| 35 | G | 96 | Very high | 95.9 | Very high | 4 Ų | 4 | 28.2 Ų | 28.2 | 4% | 0.041 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60 | 20.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | G8 Q33 A37 G40 | G8-G35 PolarHBondContact O-N 3.49Å; Q33-G35 PolarHBondContact O-N 2.83Å; G35-A37 PolarHBondContact O-N 3Å; G35-A37 VanDerWaalsContact O-N 3.13Å; G35-G40 WeakPolarHBondContact O-CA 3.19Å; G35-G40 PolarHBondContact O-N 3.45Å |
| 36 | S | 93.1 | Very high | 95.9 | Very high | 14 Ų | 14 | 25.4 Ų | 25.4 | 10% | 0.098 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -23.1 | -172.2 | 71.6 | 0 | 0 | 0 | 0 | 113.9 | Q33 L34 R41 K275 | Q33-S36 WeakPolarHBondContact O-CB 3.31Å; Q33-S36 PolarHBondContact O-N 2.71Å; Q33-S36 VanDerWaalsContact O-N 3.12Å; Q33-S36 PolarHBondContact O-OG 2.88Å; L34-S36 PolarHBondContact O-N 2.67Å; L34-S36 VanDerWaalsContact O-N 3.12Å; S36-R41 PolarHBondContact O-NE 2.95Å; S36-K275 VanDerWaalsContact CB-NZ 3.28Å; S36-K275 VanDerWaalsContact O-CD 3.26Å; S36-K275 WeakPolarHBondContact O-CD 3.19Å; S36-K275 WeakPolarHBondContact O-CE 3.32Å; S36-K275 PolarHBondContact O-NZ 3.17Å; S36-K275 WeakPolarHBondContact OG-CD 3.23Å |
| 37 | A | 94 | Very high | 95.9 | Very high | 18 Ų | 18 | 25.2 Ų | 25.2 | 15% | 0.149 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | -135.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | G35 S39 G40 R41 W195 K275 | G35-A37 PolarHBondContact O-N 3Å; G35-A37 VanDerWaalsContact O-N 3.13Å; A37-S39 VanDerWaalsContact C-N 3.28Å; A37-S39 PolarHBondContact O-N 3.33Å; A37-G40 PolarHBondContact O-N 3.35Å; A37-R41 WeakPolarHBondContact O-CB 3.37Å; A37-R41 PolarHBondContact O-N 2.7Å; A37-W195 HydrophobicContact CB-CH2 3.69Å; A37-W195 HydrophobicContact CB-CZ3 3.78Å; A37-K275 HydrophobicContact CB-CD 3.99Å; A37-K275 HydrophobicContact CB-CG 4.09Å |
| 38 | A | 93.7 | Very high | 95.7 | Very high | 22 Ų | 22 | 26 Ų | 26 | 18% | 0.182 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -52.5 | -42.1 | -175 | 0 | 0 | 0 | 0 | 0 | 113.2 | G40 R41 A42 C310 Y311 | A38-G40 PolarHBondContact O-N 3.19Å; A38-R41 PolarHBondContact O-N 3.01Å; A38-A42 VanDerWaalsContact O-CB 3.31Å; A38-A42 WeakPolarHBondContact O-CB 3.23Å; A38-A42 PolarHBondContact O-N 2.95Å; A38-C310 HydrophobicContact CB-CB 4.31Å; A38-Y311 WeakPolarHBondContact CB-O 3.27Å |
| 39 | S | 96.1 | Very high | 95.5 | Very high | 20 Ų | 20 | 29 Ų | 29 | 14% | 0.14 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.5 | -38.9 | -173.8 | -58.1 | 0 | 0 | 0 | 0 | 114.6 | I10 A37 P126 I342 | I10-S39 WeakPolarHBondContact CG2-OG 3.27Å; I10-S39 PolarHBondContact N-OG 3.07Å; A37-S39 VanDerWaalsContact C-N 3.28Å; A37-S39 PolarHBondContact O-N 3.33Å; S39-P126 WeakPolarHBondContact O-CB 3.46Å; S39-I342 WeakPolarHBondContact O-CD1 3.22Å |
| 40 | G | 95.3 | Very high | 95.3 | Very high | 11 Ų | 11 | 32.4 Ų | 32.4 | 11% | 0.113 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -89.3 | -17.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | G35 A37 A38 | G35-G40 WeakPolarHBondContact O-CA 3.19Å; G35-G40 PolarHBondContact O-N 3.45Å; A37-G40 PolarHBondContact O-N 3.35Å; A38-G40 PolarHBondContact O-N 3.19Å |
| 41 | R | 94.6 | Very high | 94.8 | Very high | 82 Ų | 82 | 31.4 Ų | 31.4 | 31% | 0.309 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -101.8 | -2.6 | -177.6 | -65.8 | 178.5 | 175.5 | 177 | -1.6 | 114.1 | S36 A37 A38 Y261 K275 C310 | S36-R41 PolarHBondContact O-NE 2.95Å; A37-R41 WeakPolarHBondContact O-CB 3.37Å; A37-R41 PolarHBondContact O-N 2.7Å; A38-R41 PolarHBondContact O-N 3.01Å; R41-Y261 WeakPolarHBondContact O-CE2 3.33Å; R41-Y261 PolarHBondContact O-OH 2.87Å; R41-K275 VanDerWaalsContact NH2-CE 3.35Å; R41-C310 WeakPolarHBondContact CD-SG 3.38Å |
| 42 | A | 96.4 | Very high | 94 | Very high | 25 Ų | 25 | 31.4 Ų | 31.4 | 21% | 0.207 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -64.4 | 165.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | A38 P126 R255 I342 | A38-A42 VanDerWaalsContact O-CB 3.31Å; A38-A42 WeakPolarHBondContact O-CB 3.23Å; A38-A42 PolarHBondContact O-N 2.95Å; A42-P126 HydrophobicContact CB-CB 4.33Å; A42-P126 HydrophobicContact CB-CG 4.1Å; A42-P126 WeakPolarHBondContact O-CG 3.36Å; A42-R255 PolarHBondContact O-NH2 3.48Å; A42-I342 HydrophobicContact CB-CD1 4.14Å; A42-I342 HydrophobicContact CB-CG1 3.71Å |
| 43 | G | 96.6 | Very high | 93.2 | Very high | 7 Ų | 7 | 37.3 Ų | 37.3 | 7% | 0.072 | 20% | 0.197 | C | C | . | . | trans | -68.4 | -33.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114 | Y261 | G43-Y261 VanDerWaalsContact CA-CD1 3.44Š| ||
| 44 | G | 97.7 | Very high | 92.2 | Very high | 3 Ų | 3 | 35.1 Ų | 35.1 | 3% | 0.031 | 19% | 0.189 | C | C | . | . | trans | 82.4 | 17.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115 | Q123 V124 | G44-Q123 CarbonylContact O-C 3.59Å; G44-Q123 VanDerWaalsContact O-CA 3.31Å; G44-Q123 WeakPolarHBondContact O-CA 3.32Å; G44-V124 VanDerWaalsContact CA-O 3.28Å; G44-V124 WeakPolarHBondContact CA-O 3.36Å; G44-V124 PolarHBondContact O-N 3.04Å | ||
| 45 | F | 98.1 | Very high | 90.9 | Very high | 18 Ų | 18 | 38.8 Ų | 38.8 | 8% | 0.079 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 141 | 173.3 | -179.2 | -104.4 | 0 | 0 | 0 | 111.6 | A47 W50 V83 T85 T121 C236 F238 Y253 W340 | F45-A47 HydrophobicContact CE1-CB 3.77Å; F45-A47 HydrophobicContact CZ-CB 4.19Å; F45-W50 HydrophobicContact CE1-CE3 4.16Å; F45-W50 AromaticContact CE1-CH2 3.74Å; F45-W50 HydrophobicContact CE1-CH2 3.74Å; F45-W50 HydrophobicContact CE1-CZ2 4.22Å; F45-W50 AromaticContact CE1-CZ3 3.73Å; F45-W50 HydrophobicContact CE1-CZ3 3.73Å; F45-W50 AromaticContact CZ-CH2 3.67Å; F45-W50 HydrophobicContact CZ-CH2 3.67Å; F45-W50 AromaticContact CZ-CZ2 3.87Å; F45-W50 HydrophobicContact CZ-CZ2 3.87Å; F45-W50 HydrophobicContact CZ-CZ3 4.16Å; F45-V83 HydrophobicContact CE2-CG2 4.45Å; F45-T85 HydrophobicContact CE2-CG2 3.78Å; F45-T85 VanDerWaalsContact CE2-OG1 3.3Å; F45-T85 WeakPolarHBondContact CE2-OG1 3.06Å; F45-T85 HydrophobicContact CZ-CG2 3.78Å; F45-T121 HydrophobicContact CE2-CG2 4.02Å; F45-T121 HydrophobicContact CZ-CG2 3.57Å; F45-C236 HydrophobicContact CD2-CB 4.41Å; F45-C236 HydrophobicContact CE2-CB 4.39Å; F45-F238 HydrophobicContact CD1-CE2 4.12Å; F45-F238 AromaticContact CD1-CZ 3.69Å; F45-F238 HydrophobicContact CD1-CZ 3.69Å; F45-F238 HydrophobicContact CD2-CE2 4.37Å; F45-F238 AromaticContact CE1-CE2 3.75Å; F45-F238 HydrophobicContact CE1-CE2 3.75Å; F45-F238 AromaticContact CE1-CZ 3.55Å; F45-F238 HydrophobicContact CE1-CZ 3.55Å; F45-F238 HydrophobicContact CE2-CE2 4.06Å; F45-F238 HydrophobicContact CG-CE2 4.4Å; F45-F238 HydrophobicContact CG-CZ 4.25Å; F45-F238 AromaticContact CZ-CE2 3.72Å; F45-F238 HydrophobicContact CZ-CE2 3.72Å; F45-F238 HydrophobicContact CZ-CZ 4.04Å; F45-Y253 HydrophobicContact CB-CD2 4.42Å; F45-Y253 HydrophobicContact CB-CE1 4.07Å; F45-Y253 HydrophobicContact CB-CE2 3.89Å; F45-Y253 HydrophobicContact CD2-CE1 4.17Å; F45-Y253 HydrophobicContact CG-CE1 4.16Å; F45-W340 HydrophobicContact CD1-CZ3 4.37Å; F45-W340 HydrophobicContact CE1-CZ3 4.48Å |
| 46 | L | 98.2 | Very high | 90.1 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 130.2 | -177.8 | -51.6 | 174 | 0 | 0 | 0 | 108.5 | F64 H67 Y80 T121 A122 V124 I342 L343 | L46-F64 HydrophobicContact CB-CD2 4.07Å; L46-F64 HydrophobicContact CB-CE2 4.22Å; L46-H67 HydrophobicContact CD1-CB 3.97Å; L46-Y80 HydrophobicContact CD1-CD2 4.14Å; L46-Y80 HydrophobicContact CD1-CE2 3.84Å; L46-T121 WeakPolarHBondContact O-CA 3.43Å; L46-A122 HydrophobicContact CB-CB 4.15Å; L46-A122 HydrophobicContact CD1-CB 4.08Å; L46-A122 PolarHBondContact N-O 3.46Å; L46-A122 PolarHBondContact O-N 3.19Å; L46-V124 HydrophobicContact CD1-CB 4.29Å; L46-V124 HydrophobicContact CD1-CG1 4.14Å; L46-V124 HydrophobicContact CD2-CG1 4.27Å; L46-V124 HydrophobicContact CG-CG1 4.42Å; L46-I342 HydrophobicContact CD2-CG2 4.16Å; L46-L343 HydrophobicContact CB-CD1 4.18Å; L46-L343 HydrophobicContact CD2-CB 3.96Å; L46-L343 HydrophobicContact CD2-CD1 4.21Å |
| 47 | A | 97.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 129.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | F45 W50 T120 T121 W340 L343 | F45-A47 HydrophobicContact CE1-CB 3.77Å; F45-A47 HydrophobicContact CZ-CB 4.19Å; A47-W50 HydrophobicContact CB-CB 3.89Å; A47-W50 HydrophobicContact CB-CD2 3.69Å; A47-W50 HydrophobicContact CB-CE3 4.25Å; A47-W50 HydrophobicContact CB-CG 3.55Å; A47-T120 WeakPolarHBondContact CA-O 3.46Å; A47-T121 HydrophobicContact CB-CG2 4.24Å; A47-W340 HydrophobicContact CB-CH2 4.36Å; A47-W340 HydrophobicContact CB-CZ3 4.12Å; A47-L343 WeakPolarHBondContact O-CD2 3.41Å |
| 48 | K | 96.3 | Very high | 89.8 | Confident | 56 Ų | 56 | 40.5 Ų | 40.5 | 24% | 0.243 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -73 | -43.5 | -175 | -173.9 | 167.2 | -179.9 | 151 | 0 | 112.7 | Q61 F64 D65 T120 | K48-Q61 HydrophobicContact CG-CG 4.4Å; K48-Q61 WeakPolarHBondContact O-CG 3.35Å; K48-F64 HydrophobicContact CB-CB 4.03Å; K48-F64 HydrophobicContact CB-CD1 3.86Å; K48-F64 HydrophobicContact CB-CD2 3.83Å; K48-F64 HydrophobicContact CB-CE1 4.24Å; K48-F64 HydrophobicContact CB-CE2 4.22Å; K48-F64 HydrophobicContact CB-CG 3.63Å; K48-F64 HydrophobicContact CB-CZ 4.41Å; K48-F64 HydrophobicContact CD-CD1 3.78Å; K48-F64 HydrophobicContact CD-CE1 4.17Å; K48-F64 HydrophobicContact CD-CG 4.33Å; K48-F64 HydrophobicContact CG-CB 4.11Å; K48-F64 HydrophobicContact CG-CD1 4Å; K48-F64 HydrophobicContact CG-CG 4.03Å; K48-D65 IonicContact NZ-OD1 2.94Å; K48-D65 PolarHBondContact NZ-OD1 2.76Å; K48-D65 IonicContact NZ-OD2 2.67Å; K48-D65 PolarHBondContact NZ-OD2 2.56Å; K48-T120 WeakPolarHBondContact CB-O 3.4Å; K48-T120 PolarHBondContact N-O 3.12Å |
| 49 | D | 94.2 | Very high | 89.9 | Confident | 63 Ų | 63 | 39.4 Ų | 39.4 | 34% | 0.337 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -123 | 2 | -161.3 | 58.9 | -12.4 | 0 | 0 | 0 | 114 | C51 S52 | D49-C51 PolarHBondContact O-N 2.92Å; D49-S52 WeakPolarHBondContact O-CB 3.43Å; D49-S52 PolarHBondContact O-N 2.87Å; D49-S52 PolarHBondContact O-OG 3.48Å |
| 50 | W | 93.3 | Very high | 89.9 | Confident | 74 Ų | 74 | 38.5 Ų | 38.5 | 28% | 0.28 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -10.4 | 179.4 | -70.1 | 19.4 | 0 | 0 | 0 | 113.8 | F45 A47 T85 I115 T121 F238 W340 | F45-W50 HydrophobicContact CE1-CE3 4.16Å; F45-W50 AromaticContact CE1-CH2 3.74Å; F45-W50 HydrophobicContact CE1-CH2 3.74Å; F45-W50 HydrophobicContact CE1-CZ2 4.22Å; F45-W50 AromaticContact CE1-CZ3 3.73Å; F45-W50 HydrophobicContact CE1-CZ3 3.73Å; F45-W50 AromaticContact CZ-CH2 3.67Å; F45-W50 HydrophobicContact CZ-CH2 3.67Å; F45-W50 AromaticContact CZ-CZ2 3.87Å; F45-W50 HydrophobicContact CZ-CZ2 3.87Å; F45-W50 HydrophobicContact CZ-CZ3 4.16Å; A47-W50 HydrophobicContact CB-CB 3.89Å; A47-W50 HydrophobicContact CB-CD2 3.69Å; A47-W50 HydrophobicContact CB-CE3 4.25Å; A47-W50 HydrophobicContact CB-CG 3.55Å; W50-T85 HydrophobicContact CH2-CG2 3.89Å; W50-T85 HydrophobicContact CZ2-CG2 3.99Å; W50-I115 HydrophobicContact CH2-CD1 3.36Å; W50-I115 HydrophobicContact CH2-CG1 4.13Å; W50-I115 HydrophobicContact CZ2-CB 4.32Å; W50-I115 HydrophobicContact CZ2-CD1 3.43Å; W50-I115 VanDerWaalsContact CZ2-CD1 3.43Å; W50-I115 HydrophobicContact CZ2-CG1 3.72Å; W50-I115 HydrophobicContact CZ3-CD1 4.37Å; W50-I115 PolarHBondContact NE1-O 3.32Å; W50-T121 HydrophobicContact CZ2-CG2 4.22Å; W50-F238 HydrophobicContact CH2-CD1 4.36Å; W50-F238 AromaticContact CH2-CD2 3.67Å; W50-F238 HydrophobicContact CH2-CD2 3.67Å; W50-F238 HydrophobicContact CH2-CE1 4.11Å; W50-F238 AromaticContact CH2-CE2 3.39Å; W50-F238 HydrophobicContact CH2-CE2 3.39Å; W50-F238 HydrophobicContact CH2-CG 4.15Å; W50-F238 AromaticContact CH2-CZ 3.62Å; W50-F238 HydrophobicContact CH2-CZ 3.62Å; W50-F238 HydrophobicContact CZ3-CD1 4.1Å; W50-F238 HydrophobicContact CZ3-CD2 4.19Å; W50-F238 AromaticContact CZ3-CE1 3.63Å; W50-F238 HydrophobicContact CZ3-CE1 3.63Å; W50-F238 AromaticContact CZ3-CE2 3.74Å; W50-F238 HydrophobicContact CZ3-CE2 3.74Å; W50-F238 HydrophobicContact CZ3-CG 4.36Å; W50-F238 AromaticContact CZ3-CZ 3.42Å; W50-F238 HydrophobicContact CZ3-CZ 3.42Å; W50-F238 VanDerWaalsContact CZ3-CZ 3.42Å; W50-W340 HydrophobicContact CB-CH2 4.23Å; W50-W340 HydrophobicContact CB-CZ2 4.43Å; W50-W340 AromaticContact CE3-CH2 3.77Å; W50-W340 HydrophobicContact CE3-CH2 3.77Å; W50-W340 HydrophobicContact CE3-CZ2 4.49Å |
| 51 | C | 85 | Confident | 89.9 | Confident | 2 Ų | 2 | 41.6 Ų | 41.6 | 1% | 0.014 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | 5.8 | 171.5 | -62.6 | 0 | 0 | 0 | 0 | 113 | D49 H53 N54 M56 A60 | D49-C51 PolarHBondContact O-N 2.92Å; C51-H53 PolarHBondContact O-N 2.84Å; C51-N54 PolarHBondContact O-N 2.89Å; C51-N54 VanDerWaalsContact O-O 3.06Å; C51-N54 PolarHBondContact O-OD1 2.89Å; C51-N54 VanDerWaalsContact O-OD1 3.07Å; C51-M56 HydrophobicContact CB-CB 4.16Å; C51-A60 HydrophobicContact CB-CB 3.69Å |
| 52 | S | 76.4 | Confident | 89.9 | Confident | 57 Ų | 57 | 40.8 Ų | 40.8 | 40% | 0.399 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -17.7 | -173.9 | 55.4 | 0 | 0 | 0 | 0 | 115.8 | D49 D57 | D49-S52 WeakPolarHBondContact O-CB 3.43Å; D49-S52 PolarHBondContact O-N 2.87Å; D49-S52 PolarHBondContact O-OG 3.48Å; S52-D57 WeakPolarHBondContact CA-OD1 3.46Å |
| 53 | H | 73.3 | Confident | 90 | Very high | 184 Ų | 184 | 39.6 Ų | 39.6 | 85% | 0.852 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | 2.9 | 177.8 | -56.5 | -45.3 | 0 | 0 | 0 | 114.2 | C51 | C51-H53 PolarHBondContact O-N 2.84Š|
| 54 | N | 73.2 | Confident | 90.1 | Very high | 68 Ų | 68 | 39.3 Ų | 39.3 | 36% | 0.364 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -139.4 | 169.3 | 179 | 67.9 | 42.5 | 0 | 0 | 0 | 111.3 | C51 M56 D57 | C51-N54 PolarHBondContact O-N 2.89Å; C51-N54 VanDerWaalsContact O-O 3.06Å; C51-N54 PolarHBondContact O-OD1 2.89Å; C51-N54 VanDerWaalsContact O-OD1 3.07Å; N54-M56 PolarHBondContact O-N 3.08Å; N54-M56 VanDerWaalsContact O-N 3.07Å; N54-M56 WeakPolarHBondContact OD1-CA 3.32Å; N54-M56 WeakPolarHBondContact OD1-CB 3.45Å; N54-M56 PolarHBondContact OD1-N 2.89Å; N54-D57 WeakPolarHBondContact O-CB 3.46Å; N54-D57 PolarHBondContact O-N 2.87Å; N54-D57 VanDerWaalsContact O-N 3.16Å |
| 55 | E | 71.2 | Confident | 90 | Very high | 86 Ų | 86 | 41.6 Ų | 41.6 | 40% | 0.402 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | 0.9 | -173.3 | -53.6 | 93.1 | 150.5 | 0 | 0 | 114 | D57 Y319 L394 | E55-D57 VanDerWaalsContact C-N 3.25Å; E55-Y319 HydrophobicContact CB-CE1 3.87Å; E55-Y319 HydrophobicContact CG-CE1 4.39Å; E55-Y319 PolarHBondContact OE1-OH 3.13Å; E55-Y319 WeakPolarHBondContact OE2-CE1 3.38Å; E55-Y319 PolarHBondContact OE2-OH 3.34Å; E55-L394 HydrophobicContact CB-CD1 3.26Å; E55-L394 HydrophobicContact CG-CD1 3.48Å; E55-L394 VanDerWaalsContact CG-CD1 3.48Å |
| 56 | M | 78.9 | Confident | 90 | Very high | 11 Ų | 11 | 40.9 Ų | 40.9 | 5% | 0.054 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -12.1 | 168.7 | -68 | -68.9 | -71.8 | 0 | 0 | 113.4 | C51 N54 V58 L59 A60 P320 T344 F395 | C51-M56 HydrophobicContact CB-CB 4.16Å; N54-M56 PolarHBondContact O-N 3.08Å; N54-M56 VanDerWaalsContact O-N 3.07Å; N54-M56 WeakPolarHBondContact OD1-CA 3.32Å; N54-M56 WeakPolarHBondContact OD1-CB 3.45Å; N54-M56 PolarHBondContact OD1-N 2.89Å; M56-V58 PolarHBondContact O-N 2.85Å; M56-V58 VanDerWaalsContact O-N 3.13Å; M56-L59 HydrophobicContact CE-CD1 4.03Å; M56-L59 PolarHBondContact O-N 3.39Å; M56-L59 HydrophobicContact SD-CD1 4.25Å; M56-A60 PolarHBondContact O-N 3.22Å; M56-P320 HydrophobicContact CE-CG 3.72Å; M56-P320 WeakPolarHBondContact SD-CD 3.32Å; M56-P320 HydrophobicContact SD-CG 3.42Å; M56-P320 WeakPolarHBondContact SD-CG 3.15Å; M56-T344 HydrophobicContact CE-CG2 4.23Å; M56-F395 HydrophobicContact SD-CE1 3.61Å; M56-F395 HydrophobicContact SD-CZ 4.06Å |
| 57 | D | 87.9 | Confident | 90 | Very high | 40 Ų | 40 | 41.1 Ų | 41.1 | 21% | 0.214 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -49.7 | -41.5 | -174.3 | -169.6 | 34.8 | 0 | 0 | 0 | 113.2 | S52 N54 E55 L59 A60 Q61 | S52-D57 WeakPolarHBondContact CA-OD1 3.46Å; N54-D57 WeakPolarHBondContact O-CB 3.46Å; N54-D57 PolarHBondContact O-N 2.87Å; N54-D57 VanDerWaalsContact O-N 3.16Å; E55-D57 VanDerWaalsContact C-N 3.25Å; D57-L59 VanDerWaalsContact C-N 3.34Å; D57-L59 PolarHBondContact O-N 3.21Å; D57-A60 PolarHBondContact O-N 3.11Å; D57-A60 VanDerWaalsContact O-N 3.16Å; D57-Q61 WeakPolarHBondContact O-CG 3.49Å; D57-Q61 PolarHBondContact O-N 3Å; D57-Q61 PolarHBondContact OD1-NE2 3.22Å; D57-Q61 PolarHBondContact OD2-NE2 3.06Å |
| 58 | V | 93 | Very high | 90 | Very high | 21 Ų | 21 | 44 Ų | 44 | 13% | 0.127 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.7 | -39.3 | 178 | 66.5 | 0 | 0 | 0 | 0 | 113 | M56 K62 Q389 F395 | M56-V58 PolarHBondContact O-N 2.85Å; M56-V58 VanDerWaalsContact O-N 3.13Å; V58-K62 HydrophobicContact CG2-CD 4.11Å; V58-K62 WeakPolarHBondContact O-CB 3.29Å; V58-K62 WeakPolarHBondContact O-CG 3.48Å; V58-K62 PolarHBondContact O-N 3.33Å; V58-Q389 HydrophobicContact CG2-CB 3.79Å; V58-Q389 HydrophobicContact CG2-CG 4.33Å; V58-F395 HydrophobicContact CG1-CE2 4.08Å; V58-F395 HydrophobicContact CG1-CZ 4.21Å |
| 59 | L | 95.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -77.2 | -34.4 | 176.2 | -65.2 | -178.2 | 0 | 0 | 0 | 111.2 | M56 D57 G63 P320 I322 T344 I347 L351 F395 | M56-L59 HydrophobicContact CE-CD1 4.03Å; M56-L59 PolarHBondContact O-N 3.39Å; M56-L59 HydrophobicContact SD-CD1 4.25Å; D57-L59 VanDerWaalsContact C-N 3.34Å; D57-L59 PolarHBondContact O-N 3.21Å; L59-G63 VanDerWaalsContact O-CA 3.25Å; L59-G63 WeakPolarHBondContact O-CA 3.31Å; L59-G63 PolarHBondContact O-N 3.04Å; L59-P320 HydrophobicContact CD1-CG 4.06Å; L59-I322 HydrophobicContact CD1-CD1 3.95Å; L59-T344 HydrophobicContact CB-CG2 3.85Å; L59-I347 HydrophobicContact CB-CG2 4.27Å; L59-I347 HydrophobicContact CD2-CG1 4.31Å; L59-I347 HydrophobicContact CD2-CG2 4.11Å; L59-I347 WeakPolarHBondContact O-CG2 3.14Å; L59-L351 HydrophobicContact CD2-CD2 4.24Å; L59-F395 HydrophobicContact CD1-CD2 4.02Å; L59-F395 HydrophobicContact CD1-CE1 4.1Å; L59-F395 HydrophobicContact CD1-CE2 3.51Å; L59-F395 HydrophobicContact CD1-CZ 3.55Å; L59-F395 HydrophobicContact CD2-CE2 4.05Å; L59-F395 HydrophobicContact CG-CD2 4.41Å; L59-F395 HydrophobicContact CG-CE2 3.57Å; L59-F395 HydrophobicContact CG-CZ 3.77Å |
| 60 | A | 95 | Very high | 90.3 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66.2 | -53.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | C51 M56 D57 G63 F64 L343 | C51-A60 HydrophobicContact CB-CB 3.69Å; M56-A60 PolarHBondContact O-N 3.22Å; D57-A60 PolarHBondContact O-N 3.11Å; D57-A60 VanDerWaalsContact O-N 3.16Å; A60-G63 PolarHBondContact O-N 3.04Å; A60-F64 WeakPolarHBondContact O-CB 3.46Å; A60-F64 PolarHBondContact O-N 2.86Å; A60-L343 HydrophobicContact CB-CD2 3.99Å |
| 61 | Q | 95.3 | Very high | 90.5 | Very high | 77 Ų | 77 | 40.7 Ų | 40.7 | 36% | 0.36 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -62.7 | -50.1 | -178.8 | -68.2 | -176.1 | 36 | 0 | 0 | 111.8 | K48 D57 G63 F64 D65 | K48-Q61 HydrophobicContact CG-CG 4.4Å; K48-Q61 WeakPolarHBondContact O-CG 3.35Å; D57-Q61 WeakPolarHBondContact O-CG 3.49Å; D57-Q61 PolarHBondContact O-N 3Å; D57-Q61 PolarHBondContact OD1-NE2 3.22Å; D57-Q61 PolarHBondContact OD2-NE2 3.06Å; Q61-G63 VanDerWaalsContact C-N 3.33Å; Q61-G63 PolarHBondContact O-N 2.65Å; Q61-F64 WeakPolarHBondContact O-CB 3.33Å; Q61-F64 PolarHBondContact O-N 3.4Å; Q61-D65 PolarHBondContact O-N 3.44Å |
| 62 | K | 96.1 | Very high | 91.1 | Very high | 64 Ų | 64 | 47.4 Ų | 47.4 | 28% | 0.278 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -68.9 | -34.1 | 179 | -67.4 | 178.7 | -172.9 | -81.2 | 0 | 112.3 | V58 L66 I347 L386 Q389 | V58-K62 HydrophobicContact CG2-CD 4.11Å; V58-K62 WeakPolarHBondContact O-CB 3.29Å; V58-K62 WeakPolarHBondContact O-CG 3.48Å; V58-K62 PolarHBondContact O-N 3.33Å; K62-L66 WeakPolarHBondContact O-CB 3.31Å; K62-L66 PolarHBondContact O-N 2.95Å; K62-I347 HydrophobicContact CB-CD1 3.91Å; K62-I347 HydrophobicContact CB-CG1 3.88Å; K62-L386 HydrophobicContact CD-CD1 3.76Å; K62-Q389 HydrophobicContact CD-CG 4.31Å; K62-Q389 VanDerWaalsContact CE-CG 3.48Å |
| 63 | G | 97.4 | Very high | 92 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.2 | -42.9 | 174 | 0 | 0 | 0 | 0 | 0 | 111.6 | L59 A60 Q61 L66 H67 L343 | L59-G63 VanDerWaalsContact O-CA 3.25Å; L59-G63 WeakPolarHBondContact O-CA 3.31Å; L59-G63 PolarHBondContact O-N 3.04Å; A60-G63 PolarHBondContact O-N 3.04Å; Q61-G63 VanDerWaalsContact C-N 3.33Å; Q61-G63 PolarHBondContact O-N 2.65Å; G63-L66 PolarHBondContact O-N 3.09Å; G63-H67 PolarHBondContact O-N 3.02Å; G63-H67 VanDerWaalsContact O-N 3.13Å; G63-H67 PolarHBondContact O-ND1 3.46Å; G63-L343 WeakPolarHBondContact CA-O 3.28Å |
| 64 | F | 97.8 | Very high | 93.2 | Very high | 1 Ų | 1 | 39.5 Ų | 39.5 | 0% | 0.004 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.8 | -51.9 | 175.5 | -171.3 | -86.6 | 0 | 0 | 0 | 111.5 | L46 K48 A60 Q61 L66 H67 M68 T120 A122 L343 | L46-F64 HydrophobicContact CB-CD2 4.07Å; L46-F64 HydrophobicContact CB-CE2 4.22Å; K48-F64 HydrophobicContact CB-CB 4.03Å; K48-F64 HydrophobicContact CB-CD1 3.86Å; K48-F64 HydrophobicContact CB-CD2 3.83Å; K48-F64 HydrophobicContact CB-CE1 4.24Å; K48-F64 HydrophobicContact CB-CE2 4.22Å; K48-F64 HydrophobicContact CB-CG 3.63Å; K48-F64 HydrophobicContact CB-CZ 4.41Å; K48-F64 HydrophobicContact CD-CD1 3.78Å; K48-F64 HydrophobicContact CD-CE1 4.17Å; K48-F64 HydrophobicContact CD-CG 4.33Å; K48-F64 HydrophobicContact CG-CB 4.11Å; K48-F64 HydrophobicContact CG-CD1 4Å; K48-F64 HydrophobicContact CG-CG 4.03Å; A60-F64 WeakPolarHBondContact O-CB 3.46Å; A60-F64 PolarHBondContact O-N 2.86Å; Q61-F64 WeakPolarHBondContact O-CB 3.33Å; Q61-F64 PolarHBondContact O-N 3.4Å; F64-L66 VanDerWaalsContact C-N 3.28Å; F64-L66 PolarHBondContact O-N 2.84Å; F64-H67 WeakPolarHBondContact O-CB 3.46Å; F64-H67 PolarHBondContact O-N 3.15Å; F64-M68 HydrophobicContact CD1-CE 4.34Å; F64-M68 HydrophobicContact CE1-CE 4.37Å; F64-T120 WeakPolarHBondContact CE2-O 3.34Å; F64-A122 HydrophobicContact CE2-CB 3.77Å; F64-A122 HydrophobicContact CZ-CB 3.94Å; F64-L343 HydrophobicContact CB-CD1 3.95Å; F64-L343 HydrophobicContact CD2-CD1 4.35Å |
| 65 | D | 97 | Very high | 94.2 | Very high | 52 Ų | 52 | 38.2 Ų | 38.2 | 28% | 0.278 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -62.5 | -37.9 | -179.6 | -67.3 | -19.3 | 0 | 0 | 0 | 111.7 | K48 Q61 H67 M68 E69 | K48-D65 IonicContact NZ-OD1 2.94Å; K48-D65 PolarHBondContact NZ-OD1 2.76Å; K48-D65 IonicContact NZ-OD2 2.67Å; K48-D65 PolarHBondContact NZ-OD2 2.56Å; Q61-D65 PolarHBondContact O-N 3.44Å; D65-H67 VanDerWaalsContact C-N 3.29Å; D65-H67 PolarHBondContact O-N 3.15Å; D65-M68 HydrophobicContact CB-CE 4.21Å; D65-M68 WeakPolarHBondContact O-CB 3.46Å; D65-M68 PolarHBondContact O-N 2.87Å; D65-M68 VanDerWaalsContact O-N 3.11Å; D65-M68 WeakPolarHBondContact OD1-CE 3.34Å; D65-E69 PolarHBondContact O-N 3.02Å |
| 66 | L | 98.1 | Very high | 95.4 | Very high | 2 Ų | 2 | 39.2 Ų | 39.2 | 1% | 0.01 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.8 | -29.4 | 175.3 | -178.2 | 55.5 | 0 | 0 | 0 | 113.3 | Y18 K62 G63 F64 M68 E69 L70 P346 I347 R350 | Y18-L66 WeakPolarHBondContact OH-CD2 3.13Å; K62-L66 WeakPolarHBondContact O-CB 3.31Å; K62-L66 PolarHBondContact O-N 2.95Å; G63-L66 PolarHBondContact O-N 3.09Å; F64-L66 VanDerWaalsContact C-N 3.28Å; F64-L66 PolarHBondContact O-N 2.84Å; L66-M68 VanDerWaalsContact C-N 3.27Å; L66-M68 PolarHBondContact O-N 2.88Å; L66-E69 HydrophobicContact CD1-CB 4.25Å; L66-E69 WeakPolarHBondContact CD1-OE2 3.24Å; L66-E69 PolarHBondContact O-N 2.91Å; L66-L70 HydrophobicContact CD1-CG 4.28Å; L66-L70 HydrophobicContact CG-CD1 4.27Å; L66-L70 HydrophobicContact CG-CG 4.39Å; L66-L70 WeakPolarHBondContact O-CB 3.3Å; L66-L70 VanDerWaalsContact O-CG 3.24Å; L66-L70 WeakPolarHBondContact O-CG 3.32Å; L66-L70 PolarHBondContact O-N 2.91Å; L66-P346 HydrophobicContact CD2-CB 3.81Å; L66-P346 HydrophobicContact CG-CB 4.27Å; L66-I347 HydrophobicContact CD2-CB 3.9Å; L66-I347 HydrophobicContact CD2-CD1 3.98Å; L66-R350 VanDerWaalsContact CD1-NH1 3.26Å |
| 67 | H | 98.5 | Very high | 96.2 | Very high | 5 Ų | 5 | 41.9 Ų | 41.9 | 2% | 0.023 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66.4 | -31.5 | 174.1 | -81.5 | 74.5 | 0 | 0 | 0 | 112 | L46 G63 F64 D65 A71 Y80 I342 L343 | L46-H67 HydrophobicContact CD1-CB 3.97Å; G63-H67 PolarHBondContact O-N 3.02Å; G63-H67 VanDerWaalsContact O-N 3.13Å; G63-H67 PolarHBondContact O-ND1 3.46Å; F64-H67 WeakPolarHBondContact O-CB 3.46Å; F64-H67 PolarHBondContact O-N 3.15Å; D65-H67 VanDerWaalsContact C-N 3.29Å; D65-H67 PolarHBondContact O-N 3.15Å; H67-A71 WeakPolarHBondContact O-CB 3.32Å; H67-A71 PolarHBondContact O-N 3.16Å; H67-Y80 HydrophobicContact CB-CD2 4.17Å; H67-Y80 HydrophobicContact CB-CE2 3.8Å; H67-I342 PolarHBondContact CE1-O 2.99Å; H67-I342 PolarHBondContact NE2-O 2.83Å; H67-L343 PolarHBondContact CE1-O 3.05Å; H67-L343 VanDerWaalsContact CE1-O 3.28Å |
| 68 | M | 96.7 | Very high | 96.7 | Very high | 61 Ų | 61 | 40.2 Ų | 40.2 | 30% | 0.3 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -66.1 | -47.9 | 171.8 | -64.9 | -174.4 | -73.7 | 0 | 0 | 110.9 | F64 D65 L66 L70 A71 D72 Y80 | F64-M68 HydrophobicContact CD1-CE 4.34Å; F64-M68 HydrophobicContact CE1-CE 4.37Å; D65-M68 HydrophobicContact CB-CE 4.21Å; D65-M68 WeakPolarHBondContact O-CB 3.46Å; D65-M68 PolarHBondContact O-N 2.87Å; D65-M68 VanDerWaalsContact O-N 3.11Å; D65-M68 WeakPolarHBondContact OD1-CE 3.34Å; L66-M68 VanDerWaalsContact C-N 3.27Å; L66-M68 PolarHBondContact O-N 2.88Å; M68-L70 VanDerWaalsContact C-N 3.29Å; M68-L70 PolarHBondContact O-N 2.8Å; M68-A71 WeakPolarHBondContact O-CB 3.28Å; M68-A71 PolarHBondContact O-N 3.27Å; M68-A71 VanDerWaalsContact O-N 3.09Å; M68-D72 PolarHBondContact O-N 2.88Å; M68-Y80 HydrophobicContact CG-CE1 4.12Å; M68-Y80 WeakPolarHBondContact CG-OH 3.39Å |
| 69 | E | 97.4 | Very high | 96.9 | Very high | 101 Ų | 101 | 40.6 Ų | 40.6 | 47% | 0.472 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -56.6 | -43 | 175.8 | -65.5 | 174.7 | -159.1 | 0 | 0 | 111.9 | D65 L66 D72 E73 R350 | D65-E69 PolarHBondContact O-N 3.02Å; L66-E69 HydrophobicContact CD1-CB 4.25Å; L66-E69 WeakPolarHBondContact CD1-OE2 3.24Å; L66-E69 PolarHBondContact O-N 2.91Å; E69-D72 PolarHBondContact O-N 3.09Å; E69-E73 WeakPolarHBondContact O-CB 3.31Å; E69-E73 PolarHBondContact O-N 2.99Å; E69-R350 IonicContact OE2-NH1 2.73Å |
| 70 | L | 98.4 | Very high | 97 | Very high | 4 Ų | 4 | 42.6 Ų | 42.6 | 2% | 0.021 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -69.1 | -34.8 | 178 | -67.7 | 174.5 | 0 | 0 | 0 | 112.2 | Y17 L66 M68 E73 F74 P346 | Y17-L70 HydrophobicContact CE1-CD2 3.82Å; L66-L70 HydrophobicContact CD1-CG 4.28Å; L66-L70 HydrophobicContact CG-CD1 4.27Å; L66-L70 HydrophobicContact CG-CG 4.39Å; L66-L70 WeakPolarHBondContact O-CB 3.3Å; L66-L70 VanDerWaalsContact O-CG 3.24Å; L66-L70 WeakPolarHBondContact O-CG 3.32Å; L66-L70 PolarHBondContact O-N 2.91Å; M68-L70 VanDerWaalsContact C-N 3.29Å; M68-L70 PolarHBondContact O-N 2.8Å; L70-E73 PolarHBondContact O-N 2.83Å; L70-F74 HydrophobicContact CB-CD2 4.22Å; L70-F74 HydrophobicContact CB-CE2 4.11Å; L70-F74 HydrophobicContact CD2-CE1 4.27Å; L70-F74 HydrophobicContact CD2-CE2 3.86Å; L70-F74 HydrophobicContact CD2-CZ 3.62Å; L70-F74 HydrophobicContact CG-CE2 4.41Å; L70-F74 WeakPolarHBondContact O-CA 3.44Å; L70-F74 WeakPolarHBondContact O-CB 3.36Å; L70-F74 WeakPolarHBondContact O-CD2 3.26Å; L70-F74 WeakPolarHBondContact O-CG 3.29Å; L70-F74 PolarHBondContact O-N 3.45Å; L70-P346 HydrophobicContact CD1-CB 3.81Å; L70-P346 HydrophobicContact CD1-CG 3.96Å |
| 71 | A | 97.4 | Very high | 97.2 | Very high | 18 Ų | 18 | 45.5 Ų | 45.5 | 15% | 0.149 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.9 | -40.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | H67 M68 G75 Y80 | H67-A71 WeakPolarHBondContact O-CB 3.32Å; H67-A71 PolarHBondContact O-N 3.16Å; M68-A71 WeakPolarHBondContact O-CB 3.28Å; M68-A71 PolarHBondContact O-N 3.27Å; M68-A71 VanDerWaalsContact O-N 3.09Å; A71-G75 CarbonylContact O-C 3.57Å; A71-G75 VanDerWaalsContact O-CA 3.29Å; A71-G75 WeakPolarHBondContact O-CA 3.18Å; A71-G75 PolarHBondContact O-N 2.97Å; A71-Y80 HydrophobicContact CB-CD1 3.46Å; A71-Y80 VanDerWaalsContact CB-CD1 3.46Å; A71-Y80 HydrophobicContact CB-CE1 4.26Å; A71-Y80 HydrophobicContact CB-CG 3.64Å |
| 72 | D | 97.6 | Very high | 97.3 | Very high | 144 Ų | 144 | 45.5 Ų | 45.5 | 77% | 0.77 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -64.9 | -42 | 174 | -69.8 | -18.6 | 0 | 0 | 0 | 111.3 | M68 E69 | M68-D72 PolarHBondContact O-N 2.88Å; E69-D72 PolarHBondContact O-N 3.09Å |
| 73 | E | 96.6 | Very high | 97.4 | Very high | 66 Ų | 66 | 42.6 Ų | 42.6 | 31% | 0.308 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -70.8 | -36.7 | 179.1 | -171.1 | 176.2 | 172.7 | 0 | 0 | 112.7 | Y17 K21 E69 L70 R136 | Y17-E73 PolarHBondContact OH-OE1 3.4Å; Y17-E73 PolarHBondContact OH-OE2 2.9Å; K21-E73 IonicContact NZ-OE1 2.71Å; K21-E73 IonicContact NZ-OE2 3.49Å; K21-E73 PolarHBondContact NZ-OE2 3.34Å; E69-E73 WeakPolarHBondContact O-CB 3.31Å; E69-E73 PolarHBondContact O-N 2.99Å; L70-E73 PolarHBondContact O-N 2.83Å; E73-R136 PolarHBondContact O-NH1 3.25Å; E73-R136 PolarHBondContact O-NH2 3.06Å |
| 74 | F | 97.4 | Very high | 97.4 | Very high | 8 Ų | 8 | 45.2 Ų | 45.2 | 4% | 0.035 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -95 | -14.7 | -172.8 | -59.5 | -12.1 | 0 | 0 | 0 | 113.8 | Y17 L70 E132 L133 R136 | Y17-F74 HydrophobicContact CE1-CZ 4.1Å; Y17-F74 HydrophobicContact CE2-CE1 4.44Å; Y17-F74 HydrophobicContact CE2-CZ 4.31Å; Y17-F74 AromaticContact CZ-CE1 3.96Å; Y17-F74 AromaticContact CZ-CZ 3.78Å; Y17-F74 WeakPolarHBondContact OH-CE1 3.4Å; L70-F74 HydrophobicContact CB-CD2 4.22Å; L70-F74 HydrophobicContact CB-CE2 4.11Å; L70-F74 HydrophobicContact CD2-CE1 4.27Å; L70-F74 HydrophobicContact CD2-CE2 3.86Å; L70-F74 HydrophobicContact CD2-CZ 3.62Å; L70-F74 HydrophobicContact CG-CE2 4.41Å; L70-F74 WeakPolarHBondContact O-CA 3.44Å; L70-F74 WeakPolarHBondContact O-CB 3.36Å; L70-F74 WeakPolarHBondContact O-CD2 3.26Å; L70-F74 WeakPolarHBondContact O-CG 3.29Å; L70-F74 PolarHBondContact O-N 3.45Å; F74-E132 HydrophobicContact CB-CG 3.97Å; F74-E132 HydrophobicContact CD1-CG 4.32Å; F74-E132 HydrophobicContact CD2-CB 4.37Å; F74-E132 HydrophobicContact CD2-CG 3.49Å; F74-E132 VanDerWaalsContact CD2-CG 3.49Å; F74-E132 HydrophobicContact CE2-CG 4Å; F74-E132 HydrophobicContact CG-CG 3.67Å; F74-L133 HydrophobicContact CE2-CD2 3.95Å; F74-L133 HydrophobicContact CE2-CG 4.2Å; F74-L133 HydrophobicContact CZ-CD2 3.97Å; F74-R136 HydrophobicContact CD1-CG 3.95Å; F74-R136 HydrophobicContact CE1-CB 4.25Å; F74-R136 HydrophobicContact CE1-CG 3.5Å; F74-R136 VanDerWaalsContact CE1-CG 3.5Å; F74-R136 HydrophobicContact CZ-CB 4.41Å; F74-R136 HydrophobicContact CZ-CG 3.9Å |
| 75 | G | 95.4 | Very high | 97.4 | Very high | 41 Ų | 41 | 45.2 Ų | 45.2 | 42% | 0.423 | 25% | 0.248 | S | C | . | . | G | 310 helix | trans | 67 | -151.9 | -168.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | A71 V77 | A71-G75 CarbonylContact O-C 3.57Å; A71-G75 VanDerWaalsContact O-CA 3.29Å; A71-G75 WeakPolarHBondContact O-CA 3.18Å; A71-G75 PolarHBondContact O-N 2.97Å; G75-V77 PolarHBondContact O-N 3.01Å |
| 76 | S | 94.9 | Very high | 97.4 | Very high | 107 Ų | 107 | 44.1 Ų | 44.1 | 75% | 0.748 | 24% | 0.24 | S | C | * | . | G | 310 helix | trans | -76.9 | -0.7 | -173.5 | 57 | 0 | 0 | 0 | 0 | 115.3 | C78 D79 | S76-C78 PolarHBondContact O-N 3.09Å; S76-C78 VanDerWaalsContact O-N 3.12Å; S76-D79 PolarHBondContact O-N 2.78Å |
| 77 | V | 97.3 | Very high | 97.4 | Very high | 68 Ų | 68 | 46 Ų | 46 | 41% | 0.412 | 25% | 0.254 | S | S | . | . | G | 310 helix | trans | -56.2 | -36.2 | -171.2 | 176.1 | 0 | 0 | 0 | 0 | 112.7 | G75 D79 K128 E132 | G75-V77 PolarHBondContact O-N 3.01Å; V77-D79 VanDerWaalsContact C-N 3.34Å; V77-K128 WeakPolarHBondContact O-CD 3.35Å; V77-E132 HydrophobicContact CG1-CB 4.28Å; V77-E132 HydrophobicContact CG1-CG 4.25Å |
| 78 | C | 97.7 | Very high | 97.2 | Very high | 4 Ų | 4 | 45.8 Ų | 45.8 | 3% | 0.027 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -88.3 | 2.1 | -175.2 | -61.9 | 0 | 0 | 0 | 0 | 114 | S76 Y80 V124 H125 | S76-C78 PolarHBondContact O-N 3.09Å; S76-C78 VanDerWaalsContact O-N 3.12Å; C78-Y80 PolarHBondContact O-N 2.73Å; C78-V124 HydrophobicContact CB-CG2 3.67Å; C78-V124 WeakPolarHBondContact O-CG2 3.4Å; C78-H125 PolarHBondContact O-N 2.74Å |
| 79 | D | 97.4 | Very high | 97.2 | Very high | 30 Ų | 30 | 44 Ų | 44 | 16% | 0.16 | 25% | 0.246 | C | C | . | . | trans | 54.4 | 33.5 | -173.2 | -61.9 | -12.5 | 0 | 0 | 0 | 113.2 | S76 V77 R81 H125 K128 P256 | S76-D79 PolarHBondContact O-N 2.78Å; V77-D79 VanDerWaalsContact C-N 3.34Å; D79-R81 PolarHBondContact O-N 3.36Å; D79-H125 HydrophobicContact CB-CB 3.97Å; D79-H125 IonicContact OD2-CD2 3.95Å; D79-K128 IonicContact OD1-NZ 3.35Å; D79-K128 PolarHBondContact OD1-NZ 3.44Å; D79-K128 WeakPolarHBondContact OD2-CE 3.36Å; D79-K128 IonicContact OD2-NZ 3.39Å; D79-K128 PolarHBondContact OD2-NZ 2.99Å; D79-P256 HydrophobicContact CB-CG 4.01Å | ||
| 80 | Y | 98.1 | Very high | 97 | Very high | 42 Ų | 42 | 39.2 Ų | 39.2 | 17% | 0.165 | 22% | 0.224 | C | C | . | . | trans | -65.4 | 131.3 | 176.3 | 178.2 | -95.2 | 0 | 0 | 0 | 110.4 | L46 H67 M68 A71 C78 H82 A122 Q123 V124 | L46-Y80 HydrophobicContact CD1-CD2 4.14Å; L46-Y80 HydrophobicContact CD1-CE2 3.84Å; H67-Y80 HydrophobicContact CB-CD2 4.17Å; H67-Y80 HydrophobicContact CB-CE2 3.8Å; M68-Y80 HydrophobicContact CG-CE1 4.12Å; M68-Y80 WeakPolarHBondContact CG-OH 3.39Å; A71-Y80 HydrophobicContact CB-CD1 3.46Å; A71-Y80 VanDerWaalsContact CB-CD1 3.46Å; A71-Y80 HydrophobicContact CB-CE1 4.26Å; A71-Y80 HydrophobicContact CB-CG 3.64Å; C78-Y80 PolarHBondContact O-N 2.73Å; Y80-H82 PolarHBondContact OH-CE1 2.84Å; Y80-H82 VanDerWaalsContact OH-CE1 3.27Å; Y80-A122 HydrophobicContact CE2-CB 3.73Å; Y80-Q123 CarbonylContact C-O 3.57Å; Y80-Q123 VanDerWaalsContact CA-O 3.26Å; Y80-Q123 WeakPolarHBondContact CA-O 3.31Å; Y80-V124 HydrophobicContact CD2-CB 4.48Å | ||
| 81 | R | 97.7 | Very high | 96.6 | Very high | 60 Ų | 60 | 40.1 Ų | 40.1 | 23% | 0.226 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 149.9 | 173.2 | 62 | -178.3 | -178.6 | 178.2 | 3.6 | 111.6 | D79 V83 A122 Q123 P254 | D79-R81 PolarHBondContact O-N 3.36Å; R81-V83 HydrophobicContact CG-CG1 4.05Å; R81-A122 CarbonylContact O-C 3.24Å; R81-A122 VanDerWaalsContact O-CA 3.28Å; R81-A122 WeakPolarHBondContact O-CA 3.15Å; R81-A122 WeakPolarHBondContact O-CB 3.35Å; R81-Q123 HydrophobicContact CG-CB 4.33Å; R81-Q123 PolarHBondContact N-O 3.31Å; R81-Q123 PolarHBondContact O-N 2.89Å; R81-P254 PolarHBondContact NH2-O 3.23Å |
| 82 | H | 97.8 | Very high | 96 | Very high | 77 Ų | 77 | 41.7 Ų | 41.7 | 36% | 0.356 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 145.6 | 165.4 | -66.6 | -76.4 | 0 | 0 | 0 | 110.5 | Y80 S118 | Y80-H82 PolarHBondContact OH-CE1 2.84Å; Y80-H82 VanDerWaalsContact OH-CE1 3.27Å; H82-S118 PolarHBondContact CE1-O 2.61Å; H82-S118 VanDerWaalsContact CG-O 3.26Å; H82-S118 PolarHBondContact ND1-O 3.19Å |
| 83 | V | 97.8 | Very high | 95.4 | Very high | 3 Ų | 3 | 36.7 Ų | 36.7 | 2% | 0.018 | 22% | 0.221 | C | C | . | . | trans | -138.5 | 145.9 | 180 | -62.4 | 0 | 0 | 0 | 0 | 110 | F45 R81 D117 T121 Q123 A234 | F45-V83 HydrophobicContact CE2-CG2 4.45Å; R81-V83 HydrophobicContact CG-CG1 4.05Å; V83-D117 CarbonylContact O-C 3.59Å; V83-T121 PolarHBondContact N-O 3.03Å; V83-T121 VanDerWaalsContact N-O 3.15Å; V83-T121 PolarHBondContact O-OG1 3.02Å; V83-Q123 HydrophobicContact CG1-CB 3.91Å; V83-Q123 HydrophobicContact CG2-CB 4.5Å; V83-A234 HydrophobicContact CG1-CB 4.34Å; V83-A234 WeakPolarHBondContact CG1-O 3.46Å | ||
| 84 | N | 97.8 | Very high | 94.5 | Very high | 56 Ų | 56 | 42.7 Ų | 42.7 | 30% | 0.299 | 25% | 0.246 | S | C | . | . | trans | -82.9 | 140.5 | 164.4 | -74.2 | 9.9 | 0 | 0 | 0 | 108.9 | Y86 L114 G116 K235 C236 | N84-Y86 HydrophobicContact CB-CE2 3.84Å; N84-L114 HydrophobicContact CB-CD1 3.88Å; N84-G116 WeakPolarHBondContact CA-O 3.36Å; N84-K235 HydrophobicContact CB-CG 4.31Å; N84-K235 CarbonylContact O-C 3.26Å; N84-K235 VanDerWaalsContact O-CA 3.3Å; N84-K235 WeakPolarHBondContact O-CA 3.42Å; N84-C236 PolarHBondContact O-N 2.95Å | ||
| 85 | T | 98.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 131.5 | -173.3 | -52.6 | 0 | 0 | 0 | 0 | 110 | F45 W50 I115 G116 T121 C236 F238 | F45-T85 HydrophobicContact CE2-CG2 3.78Å; F45-T85 VanDerWaalsContact CE2-OG1 3.3Å; F45-T85 WeakPolarHBondContact CE2-OG1 3.06Å; F45-T85 HydrophobicContact CZ-CG2 3.78Å; W50-T85 HydrophobicContact CH2-CG2 3.89Å; W50-T85 HydrophobicContact CZ2-CG2 3.99Å; T85-I115 HydrophobicContact CG2-CD1 4.12Å; T85-I115 HydrophobicContact CG2-CG1 4Å; T85-I115 WeakPolarHBondContact O-CG1 3.2Å; T85-I115 PolarHBondContact O-N 2.9Å; T85-G116 PolarHBondContact N-O 2.97Å; T85-G116 PolarHBondContact O-N 2.88Å; T85-T121 WeakPolarHBondContact OG1-CB 3.4Å; T85-T121 PolarHBondContact OG1-OG1 3.29Å; T85-C236 WeakPolarHBondContact CA-O 3.43Å; T85-C236 HydrophobicContact CG2-CB 4.12Å; T85-F238 HydrophobicContact CG2-CD2 3.54Å; T85-F238 HydrophobicContact CG2-CE2 3.56Å |
| 86 | Y | 97.5 | Very high | 91.7 | Very high | 30 Ų | 30 | 49.1 Ų | 49.1 | 12% | 0.118 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 135.8 | -175.5 | -65.6 | -101.1 | 0 | 0 | 0 | 111.3 | N84 E100 P102 S113 L114 K235 C236 F238 | N84-Y86 HydrophobicContact CB-CE2 3.84Å; Y86-E100 WeakPolarHBondContact CE1-O 3.46Å; Y86-P102 HydrophobicContact CD2-CG 4.29Å; Y86-S113 CarbonylContact C-O 3.58Å; Y86-S113 WeakPolarHBondContact CA-O 3.47Å; Y86-L114 HydrophobicContact CD1-CB 4.49Å; Y86-L114 HydrophobicContact CD1-CD1 4.35Å; Y86-L114 HydrophobicContact CD2-CD1 4.29Å; Y86-L114 HydrophobicContact CE1-CB 4.25Å; Y86-L114 HydrophobicContact CE1-CD1 3.88Å; Y86-L114 HydrophobicContact CE2-CD1 3.78Å; Y86-K235 HydrophobicContact CD2-CB 4.29Å; Y86-K235 HydrophobicContact CD2-CD 4.32Å; Y86-K235 HydrophobicContact CD2-CG 4.45Å; Y86-K235 HydrophobicContact CE2-CB 4.18Å; Y86-K235 HydrophobicContact CE2-CD 3.56Å; Y86-K235 HydrophobicContact CE2-CG 3.84Å; Y86-C236 PolarHBondContact N-O 2.97Å; Y86-F238 PolarHBondContact O-N 3.16Å |
| 87 | S | 97.3 | Very high | 90 | Very high | 42 Ų | 42 | 47 Ų | 47 | 29% | 0.294 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 128.9 | 158.5 | -174.4 | 0 | 0 | 0 | 0 | 107.8 | C112 S113 F238 | S87-C112 CarbonylContact O-C 3.58Å; S87-C112 WeakPolarHBondContact O-CA 3.41Å; S87-S113 PolarHBondContact N-O 2.88Å; S87-S113 PolarHBondContact O-N 3.28Å; S87-F238 WeakPolarHBondContact CA-O 3.4Å |
| 88 | I | 95.7 | Very high | 88.5 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 116.8 | -177.4 | -166.4 | 171.7 | 0 | 0 | 0 | 111.6 | L90 V105 V109 S111 C112 L237 F238 M239 D240 | I88-L90 HydrophobicContact CD1-CD2 4.06Å; I88-L90 HydrophobicContact CG1-CD2 4.09Å; I88-L90 HydrophobicContact CG2-CD2 4.02Å; I88-V105 HydrophobicContact CD1-CG1 4.06Å; I88-V109 HydrophobicContact CD1-CG1 4.18Å; I88-V109 HydrophobicContact CD1-CG2 3.98Å; I88-V109 HydrophobicContact CG1-CG1 4Å; I88-S111 WeakPolarHBondContact CA-O 3.42Å; I88-C112 HydrophobicContact CD1-CB 4.45Å; I88-C112 HydrophobicContact CG1-CB 4.17Å; I88-L237 HydrophobicContact CG2-CB 4.35Å; I88-L237 HydrophobicContact CG2-CD1 4.49Å; I88-L237 HydrophobicContact CG2-CD2 4.08Å; I88-F238 PolarHBondContact N-O 3.07Å; I88-M239 HydrophobicContact CG2-CB 4.33Å; I88-M239 HydrophobicContact CG2-CG 3.78Å; I88-M239 CarbonylContact O-C 3.58Å; I88-M239 WeakPolarHBondContact O-CA 3.36Å; I88-D240 PolarHBondContact O-N 2.77Å |
| 89 | S | 95.4 | Very high | 87.3 | Confident | 22 Ų | 22 | 51.6 Ų | 51.6 | 15% | 0.154 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 125.3 | 171.9 | -59.9 | 0 | 0 | 0 | 0 | 109.5 | K110 S111 D240 | S89-K110 PolarHBondContact O-N 3.18Å; S89-S111 VanDerWaalsContact CB-OG 3.28Å; S89-S111 WeakPolarHBondContact CB-OG 3.38Å; S89-S111 PolarHBondContact N-O 3.29Å; S89-S111 PolarHBondContact O-N 3.41Å; S89-S111 PolarHBondContact OG-OG 2.94Å; S89-D240 CarbonylContact C-O 3.55Å; S89-D240 WeakPolarHBondContact CA-O 3.49Å; S89-D240 PolarHBondContact OG-OD2 2.68Å |
| 90 | L | 93.5 | Very high | 86.6 | Confident | 2 Ų | 2 | 56 Ų | 56 | 1% | 0.01 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 164.1 | -171.7 | 59.7 | 77.7 | 0 | 0 | 0 | 113.8 | I88 A107 K108 M239 D240 Y241 Q242 V295 | I88-L90 HydrophobicContact CD1-CD2 4.06Å; I88-L90 HydrophobicContact CG1-CD2 4.09Å; I88-L90 HydrophobicContact CG2-CD2 4.02Å; L90-A107 HydrophobicContact CB-CB 4.33Å; L90-A107 HydrophobicContact CD1-CB 4.43Å; L90-A107 HydrophobicContact CD2-CB 4.36Å; L90-K108 CarbonylContact C-O 3.6Å; L90-K108 VanDerWaalsContact CA-O 3.27Å; L90-K108 WeakPolarHBondContact CA-O 3.4Å; L90-K108 WeakPolarHBondContact CB-O 3.24Å; L90-M239 HydrophobicContact CD1-CE 3.96Å; L90-M239 HydrophobicContact CD2-CE 4.08Å; L90-M239 HydrophobicContact CG-CE 4.38Å; L90-D240 PolarHBondContact N-O 2.96Å; L90-Y241 HydrophobicContact CD1-CD2 3.4Å; L90-Y241 HydrophobicContact CD1-CE2 4.16Å; L90-Y241 HydrophobicContact CD1-CG 4.23Å; L90-Q242 PolarHBondContact O-N 2.77Å; L90-V295 HydrophobicContact CD1-CG2 3.51Å; L90-V295 HydrophobicContact CD2-CG1 3.65Å; L90-V295 HydrophobicContact CD2-CG2 4.02Å; L90-V295 HydrophobicContact CG-CG2 4.44Å |
| 91 | S | 90.3 | Very high | 86.1 | Confident | 23 Ų | 23 | 55 Ų | 55 | 16% | 0.161 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 161.6 | 175.4 | 57.4 | 0 | 0 | 0 | 0 | 110.8 | K108 Q242 | S91-K108 PolarHBondContact N-O 3.46Å; S91-K108 PolarHBondContact O-N 2.58Å; S91-K108 VanDerWaalsContact O-N 3.08Å; S91-K108 WeakPolarHBondContact OG-CB 3.29Å; S91-Q242 WeakPolarHBondContact CA-O 3.46Å; S91-Q242 WeakPolarHBondContact CB-O 3.48Å |
| 92 | P | 84.4 | Confident | 85.9 | Confident | 51 Ų | 51 | 52.2 Ų | 52.2 | 33% | 0.331 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -56 | 144.4 | 176.1 | -28.5 | 37.4 | 0 | 0 | 0 | 113.7 | K108 Y241 Q242 N243 | P92-K108 WeakPolarHBondContact O-CD 3.29Å; P92-Y241 HydrophobicContact CG-CE2 4.15Å; P92-Y241 WeakPolarHBondContact CG-OH 3.29Å; P92-Q242 WeakPolarHBondContact CD-O 3.43Å; P92-N243 HydrophobicContact CG-CB 3.93Å |
| 93 | G | 84.6 | Confident | 85.6 | Confident | 38 Ų | 38 | 53.5 Ų | 53.5 | 39% | 0.392 | 34% | 0.342 | S | S | . | . | S | Bend | trans | 125.7 | 175.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | A107 K108 | G93-A107 CarbonylContact O-C 3.54Å; G93-A107 VanDerWaalsContact O-C 3.26Å; G93-A107 WeakPolarHBondContact O-CA 3.26Å; G93-K108 PolarHBondContact O-N 3.41Å |
| 94 | K | 77.4 | Confident | 85.4 | Confident | 192 Ų | 192 | 53.8 Ų | 53.8 | 84% | 0.835 | 34% | 0.343 | S | S | * | . | trans | -76.9 | 142 | -178.3 | -67.5 | -174.3 | 177.6 | -177.6 | 0 | 111.7 | K108 | K94-K108 WeakPolarHBondContact O-CG 3.23Š| ||
| 95 | S | 72.2 | Confident | 85.2 | Confident | 59 Ų | 59 | 51.5 Ų | 51.5 | 41% | 0.413 | 33% | 0.331 | S | S | . | . | trans | -65.6 | 153.5 | 177.9 | 69.5 | 0 | 0 | 0 | 0 | 111.8 | A107 | S95-A107 WeakPolarHBondContact CA-O 3.46Å; S95-A107 WeakPolarHBondContact CB-O 3.48Å; S95-A107 PolarHBondContact N-O 3.39Å | ||
| 96 | S | 62.1 | Low | 84.9 | Confident | 125 Ų | 125 | 54 Ų | 54 | 87% | 0.874 | 35% | 0.349 | S | S | * | . | trans | -97.9 | 17.1 | 168.4 | 58 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 97 | G | 59.1 | Low | 84.5 | Confident | 63 Ų | 63 | 52.6 Ų | 52.6 | 65% | 0.649 | 34% | 0.343 | S | S | * | . | trans | 81.1 | 62.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 98 | S | 66.8 | Low | 84.3 | Confident | 46 Ų | 46 | 56.1 Ų | 56.1 | 32% | 0.322 | 35% | 0.353 | S | S | . | . | trans | -77.3 | 125.4 | 166.1 | 140.8 | 0 | 0 | 0 | 0 | 109.8 | E100 S101 | S98-E100 VanDerWaalsContact C-N 3.27Å; S98-E100 PolarHBondContact O-N 2.96Å; S98-E100 PolarHBondContact OG-N 2.95Å; S98-S101 PolarHBondContact O-OG 2.82Å; S98-S101 PolarHBondContact OG-N 2.91Å | ||
| 99 | S | 72 | Confident | 84.1 | Confident | 123 Ų | 123 | 57.6 Ų | 57.6 | 86% | 0.86 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -74.1 | -15.6 | 177.6 | 54.4 | 0 | 0 | 0 | 0 | 113.7 | ||
| 100 | E | 82.3 | Confident | 84 | Confident | 123 Ų | 123 | 62.8 Ų | 62.8 | 58% | 0.575 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -92.7 | -22.1 | -174.2 | -66.6 | -178.2 | 174.8 | 0 | 0 | 113.3 | Y86 S98 | Y86-E100 WeakPolarHBondContact CE1-O 3.46Å; S98-E100 VanDerWaalsContact C-N 3.27Å; S98-E100 PolarHBondContact O-N 2.96Å; S98-E100 PolarHBondContact OG-N 2.95Å |
| 101 | S | 88.7 | Confident | 84 | Confident | 20 Ų | 20 | 65.6 Ų | 65.6 | 14% | 0.14 | 40% | 0.402 | C | S | . | . | S | Bend | trans | -74.1 | 147.7 | 178.3 | 63.4 | 0 | 0 | 0 | 0 | 112.2 | S98 S103 | S98-S101 PolarHBondContact O-OG 2.82Å; S98-S101 PolarHBondContact OG-N 2.91Å; S101-S103 PolarHBondContact O-N 2.86Å |
| 102 | P | 93 | Very high | 84.2 | Confident | 2 Ų | 2 | 65.1 Ų | 65.1 | 1% | 0.013 | 40% | 0.398 | C | S | . | . | trans | -53.3 | 139.3 | 173.6 | -25.6 | 34.6 | 0 | 0 | 0 | 111.9 | Y86 W104 V105 K235 L237 | Y86-P102 HydrophobicContact CD2-CG 4.29Å; P102-W104 HydrophobicContact CB-CD2 4.04Å; P102-W104 HydrophobicContact CB-CG 4.31Å; P102-W104 HydrophobicContact CB-CZ2 3.94Å; P102-W104 HydrophobicContact CG-CZ2 4.24Å; P102-W104 PolarHBondContact O-N 2.9Å; P102-V105 HydrophobicContact CB-CG2 4.17Å; P102-V105 HydrophobicContact CG-CG2 4.34Å; P102-V105 WeakPolarHBondContact O-CB 3.22Å; P102-V105 PolarHBondContact O-N 3.11Å; P102-K235 HydrophobicContact CB-CD 3.83Å; P102-K235 HydrophobicContact CG-CB 4.19Å; P102-K235 HydrophobicContact CG-CD 3.79Å; P102-L237 HydrophobicContact CG-CD2 3.76Å | ||
| 103 | S | 92 | Very high | 84.8 | Confident | 104 Ų | 104 | 65.3 Ų | 65.3 | 73% | 0.727 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -21.5 | -174.2 | 54.8 | 0 | 0 | 0 | 0 | 114.3 | S101 V105 | S101-S103 PolarHBondContact O-N 2.86Å; S103-V105 VanDerWaalsContact C-N 3.34Å |
| 104 | W | 93.1 | Very high | 85.3 | Confident | 8 Ų | 8 | 67.7 Ų | 67.7 | 3% | 0.03 | 40% | 0.404 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -0.6 | 176.6 | 50.2 | -95.5 | 0 | 0 | 0 | 113.7 | P102 I232 D233 K235 L237 V252 P254 V296 | P102-W104 HydrophobicContact CB-CD2 4.04Å; P102-W104 HydrophobicContact CB-CG 4.31Å; P102-W104 HydrophobicContact CB-CZ2 3.94Å; P102-W104 HydrophobicContact CG-CZ2 4.24Å; P102-W104 PolarHBondContact O-N 2.9Å; W104-I232 HydrophobicContact CB-CG1 4.13Å; W104-I232 HydrophobicContact CD2-CG2 4.03Å; W104-I232 HydrophobicContact CE3-CG2 4.39Å; W104-I232 HydrophobicContact CG-CB 4.36Å; W104-I232 HydrophobicContact CG-CG1 4.33Å; W104-I232 HydrophobicContact CG-CG2 4.27Å; W104-I232 HydrophobicContact CZ2-CG2 4.46Å; W104-D233 PolarHBondContact NE1-OD1 3.49Å; W104-K235 HydrophobicContact CZ2-CB 4.11Å; W104-K235 VanDerWaalsContact CZ2-O 3.29Å; W104-K235 WeakPolarHBondContact CZ2-O 3.06Å; W104-L237 HydrophobicContact CH2-CD1 3.32Å; W104-L237 HydrophobicContact CH2-CD2 4.42Å; W104-L237 HydrophobicContact CH2-CG 3.57Å; W104-L237 HydrophobicContact CZ2-CD1 4.32Å; W104-L237 HydrophobicContact CZ2-CG 4.29Å; W104-L237 HydrophobicContact CZ3-CD1 3.47Å; W104-L237 VanDerWaalsContact CZ3-CD1 3.47Å; W104-L237 HydrophobicContact CZ3-CG 4.25Å; W104-V252 HydrophobicContact CH2-CG1 4.44Å; W104-P254 HydrophobicContact CH2-CG 4.34Å; W104-P254 HydrophobicContact CZ2-CG 4.22Å; W104-V296 HydrophobicContact CE3-CB 4.39Å; W104-V296 HydrophobicContact CE3-CG1 3.87Å; W104-V296 HydrophobicContact CE3-CG2 3.6Å; W104-V296 HydrophobicContact CZ3-CG1 4.5Å; W104-V296 HydrophobicContact CZ3-CG2 3.59Å |
| 105 | V | 93.7 | Very high | 86.3 | Confident | 8 Ų | 8 | 61.4 Ų | 61.4 | 5% | 0.048 | 38% | 0.379 | C | S | . | . | trans | -91.1 | 126.4 | 171.6 | 172.7 | 0 | 0 | 0 | 0 | 110.2 | I88 P102 S103 A107 V109 L237 V295 | I88-V105 HydrophobicContact CD1-CG1 4.06Å; P102-V105 HydrophobicContact CB-CG2 4.17Å; P102-V105 HydrophobicContact CG-CG2 4.34Å; P102-V105 WeakPolarHBondContact O-CB 3.22Å; P102-V105 PolarHBondContact O-N 3.11Å; S103-V105 VanDerWaalsContact C-N 3.34Å; V105-A107 HydrophobicContact CG1-CB 4.49Å; V105-V109 HydrophobicContact CG1-CG2 4.38Å; V105-L237 HydrophobicContact CG2-CD1 3.73Å; V105-V295 CarbonylContact C-O 3.57Å; V105-V295 WeakPolarHBondContact CA-O 3.32Å; V105-V295 HydrophobicContact CG1-CG1 3.8Å; V105-V295 HydrophobicContact CG2-CG1 4.32Å | ||
| 106 | S | 91 | Very high | 87.5 | Confident | 54 Ų | 54 | 58.8 Ų | 58.8 | 38% | 0.378 | 36% | 0.361 | S | S | . | . | trans | -133.5 | 73.3 | 177 | -66.3 | 0 | 0 | 0 | 0 | 110.4 | V295 | S106-V295 PolarHBondContact N-O 2.73Š| ||
| 107 | A | 90.3 | Very high | 89.1 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -134.4 | 171.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | L90 G93 S95 V105 V109 V295 | L90-A107 HydrophobicContact CB-CB 4.33Å; L90-A107 HydrophobicContact CD1-CB 4.43Å; L90-A107 HydrophobicContact CD2-CB 4.36Å; G93-A107 CarbonylContact O-C 3.54Å; G93-A107 VanDerWaalsContact O-C 3.26Å; G93-A107 WeakPolarHBondContact O-CA 3.26Å; S95-A107 WeakPolarHBondContact CA-O 3.46Å; S95-A107 WeakPolarHBondContact CB-O 3.48Å; S95-A107 PolarHBondContact N-O 3.39Å; V105-A107 HydrophobicContact CG1-CB 4.49Å; A107-V109 PolarHBondContact O-N 2.83Å; A107-V109 VanDerWaalsContact O-N 3.11Å; A107-V295 HydrophobicContact CB-CB 4.43Å; A107-V295 HydrophobicContact CB-CG1 4.23Å; A107-V295 HydrophobicContact CB-CG2 4.13Å |
| 108 | K | 92 | Very high | 90.6 | Very high | 115 Ų | 115 | 55.8 Ų | 55.8 | 50% | 0.5 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 99.8 | 165.6 | -70.8 | -179.2 | -176.4 | 173.5 | 0 | 109.1 | L90 S91 P92 G93 K94 | L90-K108 CarbonylContact C-O 3.6Å; L90-K108 VanDerWaalsContact CA-O 3.27Å; L90-K108 WeakPolarHBondContact CA-O 3.4Å; L90-K108 WeakPolarHBondContact CB-O 3.24Å; S91-K108 PolarHBondContact N-O 3.46Å; S91-K108 PolarHBondContact O-N 2.58Å; S91-K108 VanDerWaalsContact O-N 3.08Å; S91-K108 WeakPolarHBondContact OG-CB 3.29Å; P92-K108 WeakPolarHBondContact O-CD 3.29Å; G93-K108 PolarHBondContact O-N 3.41Å; K94-K108 WeakPolarHBondContact O-CG 3.23Å |
| 109 | V | 92.9 | Very high | 91.9 | Very high | 32 Ų | 32 | 57.8 Ų | 57.8 | 19% | 0.194 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 122.4 | 178.2 | -178.8 | 0 | 0 | 0 | 0 | 109.6 | I88 V105 A107 S111 C112 | I88-V109 HydrophobicContact CD1-CG1 4.18Å; I88-V109 HydrophobicContact CD1-CG2 3.98Å; I88-V109 HydrophobicContact CG1-CG1 4Å; V105-V109 HydrophobicContact CG1-CG2 4.38Å; A107-V109 PolarHBondContact O-N 2.83Å; A107-V109 VanDerWaalsContact O-N 3.11Å; V109-S111 WeakPolarHBondContact CG1-O 3.34Å; V109-C112 HydrophobicContact CG1-CB 3.97Å |
| 110 | K | 92.3 | Very high | 93.1 | Very high | 130 Ų | 130 | 53.1 Ų | 53.1 | 57% | 0.565 | 30% | 0.303 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.4 | -40.3 | 173.8 | -65.3 | -178.7 | -178.2 | 176.3 | 0 | 111.3 | S89 | S89-K110 PolarHBondContact O-N 3.18Å |
| 111 | S | 94 | Very high | 93.9 | Very high | 61 Ų | 61 | 47.3 Ų | 47.3 | 43% | 0.427 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 149.8 | 175.5 | 54.8 | 0 | 0 | 0 | 0 | 109.5 | I88 S89 V109 | I88-S111 WeakPolarHBondContact CA-O 3.42Å; S89-S111 VanDerWaalsContact CB-OG 3.28Å; S89-S111 WeakPolarHBondContact CB-OG 3.38Å; S89-S111 PolarHBondContact N-O 3.29Å; S89-S111 PolarHBondContact O-N 3.41Å; S89-S111 PolarHBondContact OG-OG 2.94Å; V109-S111 WeakPolarHBondContact CG1-O 3.34Å |
| 112 | C | 95 | Very high | 94.4 | Very high | 13 Ų | 13 | 46.3 Ų | 46.3 | 9% | 0.088 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 133.3 | 173.3 | -173 | 0 | 0 | 0 | 0 | 107.1 | S87 I88 V109 | S87-C112 CarbonylContact O-C 3.58Å; S87-C112 WeakPolarHBondContact O-CA 3.41Å; I88-C112 HydrophobicContact CD1-CB 4.45Å; I88-C112 HydrophobicContact CG1-CB 4.17Å; V109-C112 HydrophobicContact CG1-CB 3.97Å |
| 113 | S | 95.7 | Very high | 94.6 | Very high | 56 Ų | 56 | 46.4 Ų | 46.4 | 39% | 0.392 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 143 | 176.8 | 59.1 | 0 | 0 | 0 | 0 | 110.6 | Y86 S87 I115 | Y86-S113 CarbonylContact C-O 3.58Å; Y86-S113 WeakPolarHBondContact CA-O 3.47Å; S87-S113 PolarHBondContact N-O 2.88Å; S87-S113 PolarHBondContact O-N 3.28Å; S113-I115 PolarHBondContact O-N 2.82Å |
| 114 | L | 96.6 | Very high | 94.9 | Very high | 88 Ų | 88 | 41.6 Ų | 41.6 | 46% | 0.461 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 117.6 | 169.4 | -171.2 | 73.5 | 0 | 0 | 0 | 108.3 | N84 Y86 G116 D117 | N84-L114 HydrophobicContact CB-CD1 3.88Å; Y86-L114 HydrophobicContact CD1-CB 4.49Å; Y86-L114 HydrophobicContact CD1-CD1 4.35Å; Y86-L114 HydrophobicContact CD2-CD1 4.29Å; Y86-L114 HydrophobicContact CE1-CB 4.25Å; Y86-L114 HydrophobicContact CE1-CD1 3.88Å; Y86-L114 HydrophobicContact CE2-CD1 3.78Å; L114-G116 WeakPolarHBondContact CD1-O 3.38Å; L114-D117 HydrophobicContact CD2-CB 4.3Å |
| 115 | I | 96.7 | Very high | 95.2 | Very high | 59 Ų | 59 | 42.4 Ų | 42.4 | 30% | 0.303 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | -0.4 | 180 | 59.8 | 167.1 | 0 | 0 | 0 | 112.6 | W50 T85 S113 F238 | W50-I115 HydrophobicContact CH2-CD1 3.36Å; W50-I115 HydrophobicContact CH2-CG1 4.13Å; W50-I115 HydrophobicContact CZ2-CB 4.32Å; W50-I115 HydrophobicContact CZ2-CD1 3.43Å; W50-I115 VanDerWaalsContact CZ2-CD1 3.43Å; W50-I115 HydrophobicContact CZ2-CG1 3.72Å; W50-I115 HydrophobicContact CZ3-CD1 4.37Å; W50-I115 PolarHBondContact NE1-O 3.32Å; T85-I115 HydrophobicContact CG2-CD1 4.12Å; T85-I115 HydrophobicContact CG2-CG1 4Å; T85-I115 WeakPolarHBondContact O-CG1 3.2Å; T85-I115 PolarHBondContact O-N 2.9Å; S113-I115 PolarHBondContact O-N 2.82Å; I115-F238 HydrophobicContact CD1-CB 4.33Å; I115-F238 HydrophobicContact CD1-CD2 4.22Å; I115-F238 HydrophobicContact CD1-CG 4.38Å |
| 116 | G | 97.3 | Very high | 95.4 | Very high | 4 Ų | 4 | 42 Ų | 42 | 4% | 0.041 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.9 | 142 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | N84 T85 L114 T120 T121 | N84-G116 WeakPolarHBondContact CA-O 3.36Å; T85-G116 PolarHBondContact N-O 2.97Å; T85-G116 PolarHBondContact O-N 2.88Å; L114-G116 WeakPolarHBondContact CD1-O 3.38Å; G116-T120 WeakPolarHBondContact CA-OG1 3.34Å; G116-T121 VanDerWaalsContact C-OG1 3.26Å; G116-T121 WeakPolarHBondContact CA-OG1 3.36Å |
| 117 | D | 96.2 | Very high | 95.7 | Very high | 58 Ų | 58 | 41.3 Ų | 41.3 | 31% | 0.31 | 23% | 0.227 | S | C | . | . | trans | -125.3 | -169.5 | -179.4 | 65.8 | 27.3 | 0 | 0 | 0 | 110.8 | V83 L114 T119 T120 T121 | V83-D117 CarbonylContact O-C 3.59Å; L114-D117 HydrophobicContact CD2-CB 4.3Å; D117-T119 PolarHBondContact O-N 2.77Å; D117-T119 WeakPolarHBondContact OD1-CA 3.37Å; D117-T119 WeakPolarHBondContact OD1-CB 3.48Å; D117-T119 PolarHBondContact OD1-N 3.12Å; D117-T119 PolarHBondContact OD1-OG1 2.75Å; D117-T120 PolarHBondContact N-OG1 3.12Å; D117-T120 PolarHBondContact O-N 3.28Å; D117-T120 PolarHBondContact OD1-N 3.14Å; D117-T120 PolarHBondContact OD1-OG1 2.84Å; D117-T121 PolarHBondContact N-OG1 3.03Å; D117-T121 PolarHBondContact O-N 2.73Å; D117-T121 PolarHBondContact O-OG1 2.83Å | ||
| 118 | S | 91.2 | Very high | 96.1 | Very high | 67 Ų | 67 | 44.8 Ų | 44.8 | 47% | 0.469 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -5.8 | -179.8 | 59 | 0 | 0 | 0 | 0 | 114.9 | H82 | H82-S118 PolarHBondContact CE1-O 2.61Å; H82-S118 VanDerWaalsContact CG-O 3.26Å; H82-S118 PolarHBondContact ND1-O 3.19Å |
| 119 | T | 94.8 | Very high | 96.4 | Very high | 89 Ų | 89 | 39.4 Ų | 39.4 | 55% | 0.546 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.6 | -24 | 177.9 | 72.9 | 0 | 0 | 0 | 0 | 112.9 | D117 | D117-T119 PolarHBondContact O-N 2.77Å; D117-T119 WeakPolarHBondContact OD1-CA 3.37Å; D117-T119 WeakPolarHBondContact OD1-CB 3.48Å; D117-T119 PolarHBondContact OD1-N 3.12Å; D117-T119 PolarHBondContact OD1-OG1 2.75Å |
| 120 | T | 97 | Very high | 96.7 | Very high | 25 Ų | 25 | 37.9 Ų | 37.9 | 15% | 0.153 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.6 | -21.3 | -174.2 | 55.2 | 0 | 0 | 0 | 0 | 114.2 | A47 K48 F64 G116 D117 | A47-T120 WeakPolarHBondContact CA-O 3.46Å; K48-T120 WeakPolarHBondContact CB-O 3.4Å; K48-T120 PolarHBondContact N-O 3.12Å; F64-T120 WeakPolarHBondContact CE2-O 3.34Å; G116-T120 WeakPolarHBondContact CA-OG1 3.34Å; D117-T120 PolarHBondContact N-OG1 3.12Å; D117-T120 PolarHBondContact O-N 3.28Å; D117-T120 PolarHBondContact OD1-N 3.14Å; D117-T120 PolarHBondContact OD1-OG1 2.84Å |
| 121 | T | 98.5 | Very high | 97 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 143.9 | 179.2 | 54.3 | 0 | 0 | 0 | 0 | 113.9 | F45 L46 A47 W50 V83 T85 G116 D117 | F45-T121 HydrophobicContact CE2-CG2 4.02Å; F45-T121 HydrophobicContact CZ-CG2 3.57Å; L46-T121 WeakPolarHBondContact O-CA 3.43Å; A47-T121 HydrophobicContact CB-CG2 4.24Å; W50-T121 HydrophobicContact CZ2-CG2 4.22Å; V83-T121 PolarHBondContact N-O 3.03Å; V83-T121 VanDerWaalsContact N-O 3.15Å; V83-T121 PolarHBondContact O-OG1 3.02Å; T85-T121 WeakPolarHBondContact OG1-CB 3.4Å; T85-T121 PolarHBondContact OG1-OG1 3.29Å; G116-T121 VanDerWaalsContact C-OG1 3.26Å; G116-T121 WeakPolarHBondContact CA-OG1 3.36Å; D117-T121 PolarHBondContact N-OG1 3.03Å; D117-T121 PolarHBondContact O-N 2.73Å; D117-T121 PolarHBondContact O-OG1 2.83Å |
| 122 | A | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 174.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | L46 F64 Y80 R81 | L46-A122 HydrophobicContact CB-CB 4.15Å; L46-A122 HydrophobicContact CD1-CB 4.08Å; L46-A122 PolarHBondContact N-O 3.46Å; L46-A122 PolarHBondContact O-N 3.19Å; F64-A122 HydrophobicContact CE2-CB 3.77Å; F64-A122 HydrophobicContact CZ-CB 3.94Å; Y80-A122 HydrophobicContact CE2-CB 3.73Å; R81-A122 CarbonylContact O-C 3.24Å; R81-A122 VanDerWaalsContact O-CA 3.28Å; R81-A122 WeakPolarHBondContact O-CA 3.15Å; R81-A122 WeakPolarHBondContact O-CB 3.35Å |
| 123 | Q | 98.4 | Very high | 97.4 | Very high | 3 Ų | 3 | 31.3 Ų | 31.3 | 1% | 0.014 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 146 | 178.5 | -172.9 | -175.2 | 38.1 | 0 | 0 | 109.4 | G44 Y80 R81 V83 P254 | G44-Q123 CarbonylContact O-C 3.59Å; G44-Q123 VanDerWaalsContact O-CA 3.31Å; G44-Q123 WeakPolarHBondContact O-CA 3.32Å; Y80-Q123 CarbonylContact C-O 3.57Å; Y80-Q123 VanDerWaalsContact CA-O 3.26Å; Y80-Q123 WeakPolarHBondContact CA-O 3.31Å; R81-Q123 HydrophobicContact CG-CB 4.33Å; R81-Q123 PolarHBondContact N-O 3.31Å; R81-Q123 PolarHBondContact O-N 2.89Å; V83-Q123 HydrophobicContact CG1-CB 3.91Å; V83-Q123 HydrophobicContact CG2-CB 4.5Å; Q123-P254 PolarHBondContact NE2-O 3.46Å; Q123-P254 PolarHBondContact OE1-O 2.91Å |
| 124 | V | 98.5 | Very high | 97.5 | Very high | 3 Ų | 3 | 29.5 Ų | 29.5 | 2% | 0.018 | 16% | 0.16 | C | C | . | . | trans | -137.6 | 150.3 | 169.8 | 67.9 | 0 | 0 | 0 | 0 | 108.9 | G44 L46 C78 Y80 P126 L129 I342 | G44-V124 VanDerWaalsContact CA-O 3.28Å; G44-V124 WeakPolarHBondContact CA-O 3.36Å; G44-V124 PolarHBondContact O-N 3.04Å; L46-V124 HydrophobicContact CD1-CB 4.29Å; L46-V124 HydrophobicContact CD1-CG1 4.14Å; L46-V124 HydrophobicContact CD2-CG1 4.27Å; L46-V124 HydrophobicContact CG-CG1 4.42Å; C78-V124 HydrophobicContact CB-CG2 3.67Å; C78-V124 WeakPolarHBondContact O-CG2 3.4Å; Y80-V124 HydrophobicContact CD2-CB 4.48Å; V124-P126 WeakPolarHBondContact O-CD 3.47Å; V124-L129 HydrophobicContact CG1-CD2 4.09Å; V124-L129 HydrophobicContact CG2-CB 4.06Å; V124-L129 HydrophobicContact CG2-CD2 4.32Å; V124-I342 HydrophobicContact CG1-CG2 3.66Å | ||
| 125 | H | 98.1 | Very high | 97.6 | Very high | 25 Ų | 25 | 30.6 Ų | 30.6 | 12% | 0.116 | 16% | 0.158 | C | C | . | . | trans | -78.5 | 112.5 | 171.5 | -169.6 | -53 | 0 | 0 | 0 | 110.3 | C78 D79 K127 K128 L129 | C78-H125 PolarHBondContact O-N 2.74Å; D79-H125 HydrophobicContact CB-CB 3.97Å; D79-H125 IonicContact OD2-CD2 3.95Å; H125-K127 PolarHBondContact ND1-N 2.96Å; H125-K127 PolarHBondContact O-N 3.44Å; H125-K128 HydrophobicContact CB-CB 4.09Å; H125-K128 HydrophobicContact CB-CD 3.94Å; H125-K128 HydrophobicContact CB-CG 3.97Å; H125-K128 PolarHBondContact O-N 3.46Å; H125-L129 PolarHBondContact O-N 3.47Å | ||
| 126 | P | 98 | Very high | 97.7 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -66.1 | -38.7 | -166.2 | -28.8 | 41.5 | 0 | 0 | 0 | 115 | S39 A42 V124 L129 T130 I342 | S39-P126 WeakPolarHBondContact O-CB 3.46Å; A42-P126 HydrophobicContact CB-CB 4.33Å; A42-P126 HydrophobicContact CB-CG 4.1Å; A42-P126 WeakPolarHBondContact O-CG 3.36Å; V124-P126 WeakPolarHBondContact O-CD 3.47Å; P126-L129 PolarHBondContact O-N 3.27Å; P126-T130 WeakPolarHBondContact O-CB 3.33Å; P126-T130 PolarHBondContact O-N 3.26Å; P126-T130 PolarHBondContact O-OG1 3.02Å; P126-I342 HydrophobicContact CB-CD1 3.82Å; P126-I342 HydrophobicContact CB-CG1 4.1Å; P126-I342 HydrophobicContact CG-CD1 4.45Å; P126-I342 HydrophobicContact CG-CG1 4.18Å; P126-I342 HydrophobicContact CG-CG2 4.48Å |
| 127 | K | 97.8 | Very high | 97.8 | Very high | 39 Ų | 39 | 30 Ų | 30 | 17% | 0.17 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63.1 | -47.3 | 174.5 | -178.6 | 53.8 | 174.7 | 148.1 | 0 | 112.2 | L34 H125 L129 T130 D131 | L34-K127 PolarHBondContact O-NZ 2.92Å; H125-K127 PolarHBondContact ND1-N 2.96Å; H125-K127 PolarHBondContact O-N 3.44Å; K127-L129 PolarHBondContact O-N 2.76Å; K127-T130 PolarHBondContact O-N 3.38Å; K127-D131 WeakPolarHBondContact CD-OD2 3.22Å; K127-D131 WeakPolarHBondContact CE-OD2 3.34Å; K127-D131 IonicContact NZ-OD1 3.62Å; K127-D131 PolarHBondContact NZ-OD1 2.77Å; K127-D131 IonicContact NZ-OD2 3.34Å; K127-D131 PolarHBondContact NZ-OD2 2.79Å; K127-D131 PolarHBondContact O-N 2.96Å |
| 128 | K | 98.3 | Very high | 97.9 | Very high | 73 Ų | 73 | 29.3 Ų | 29.3 | 32% | 0.317 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -60.6 | -43 | 176.9 | -60.3 | -172.3 | -176.2 | 178.7 | 0 | 111.6 | V77 D79 H125 D131 E132 | V77-K128 WeakPolarHBondContact O-CD 3.35Å; D79-K128 IonicContact OD1-NZ 3.35Å; D79-K128 PolarHBondContact OD1-NZ 3.44Å; D79-K128 WeakPolarHBondContact OD2-CE 3.36Å; D79-K128 IonicContact OD2-NZ 3.39Å; D79-K128 PolarHBondContact OD2-NZ 2.99Å; H125-K128 HydrophobicContact CB-CB 4.09Å; H125-K128 HydrophobicContact CB-CD 3.94Å; H125-K128 HydrophobicContact CB-CG 3.97Å; H125-K128 PolarHBondContact O-N 3.46Å; K128-D131 PolarHBondContact O-N 2.9Å; K128-E132 VanDerWaalsContact O-CB 3.23Å; K128-E132 WeakPolarHBondContact O-CB 3.46Å; K128-E132 PolarHBondContact O-N 3.44Å |
| 129 | L | 98.6 | Very high | 98.2 | Very high | 2 Ų | 2 | 32.3 Ų | 32.3 | 1% | 0.01 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -59 | -47.6 | 173.6 | 176.2 | 63.7 | 0 | 0 | 0 | 112.4 | I10 V124 H125 P126 K127 D131 E132 L133 I342 | I10-L129 HydrophobicContact CD1-CD2 3.91Å; I10-L129 HydrophobicContact CD1-CG 4.07Å; V124-L129 HydrophobicContact CG1-CD2 4.09Å; V124-L129 HydrophobicContact CG2-CB 4.06Å; V124-L129 HydrophobicContact CG2-CD2 4.32Å; H125-L129 PolarHBondContact O-N 3.47Å; P126-L129 PolarHBondContact O-N 3.27Å; K127-L129 PolarHBondContact O-N 2.76Å; L129-D131 VanDerWaalsContact C-N 3.34Å; L129-D131 PolarHBondContact O-N 3.48Å; L129-E132 PolarHBondContact O-N 3.35Å; L129-L133 HydrophobicContact CD1-CD1 3.94Å; L129-L133 HydrophobicContact CD1-CG 4.13Å; L129-L133 HydrophobicContact CG-CD1 3.96Å; L129-L133 WeakPolarHBondContact O-CB 3.36Å; L129-L133 WeakPolarHBondContact O-CG 3.27Å; L129-L133 PolarHBondContact O-N 2.79Å; L129-I342 HydrophobicContact CD2-CG2 4.22Å |
| 130 | T | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -61.7 | -44.2 | -179.5 | -56.2 | 0 | 0 | 0 | 0 | 111.1 | V13 L34 P126 K127 F134 | V13-T130 HydrophobicContact CB-CG2 4.5Å; V13-T130 HydrophobicContact CG1-CG2 4.02Å; V13-T130 HydrophobicContact CG2-CG2 3.7Å; L34-T130 HydrophobicContact CB-CG2 4.36Å; P126-T130 WeakPolarHBondContact O-CB 3.33Å; P126-T130 PolarHBondContact O-N 3.26Å; P126-T130 PolarHBondContact O-OG1 3.02Å; K127-T130 PolarHBondContact O-N 3.38Å; T130-F134 PolarHBondContact O-N 3.5Å |
| 131 | D | 98.6 | Very high | 98.4 | Very high | 59 Ų | 59 | 27.2 Ų | 27.2 | 32% | 0.316 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -68.6 | -41.2 | 179.7 | -68.8 | -23.6 | 0 | 0 | 0 | 111.8 | K127 K128 L129 F134 R135 | K127-D131 WeakPolarHBondContact CD-OD2 3.22Å; K127-D131 WeakPolarHBondContact CE-OD2 3.34Å; K127-D131 IonicContact NZ-OD1 3.62Å; K127-D131 PolarHBondContact NZ-OD1 2.77Å; K127-D131 IonicContact NZ-OD2 3.34Å; K127-D131 PolarHBondContact NZ-OD2 2.79Å; K127-D131 PolarHBondContact O-N 2.96Å; K128-D131 PolarHBondContact O-N 2.9Å; L129-D131 VanDerWaalsContact C-N 3.34Å; L129-D131 PolarHBondContact O-N 3.48Å; D131-F134 PolarHBondContact O-N 3.04Å; D131-R135 WeakPolarHBondContact O-CB 3.08Å; D131-R135 PolarHBondContact O-N 2.79Å |
| 132 | E | 98.7 | Very high | 98.4 | Very high | 8 Ų | 8 | 30.7 Ų | 30.7 | 4% | 0.037 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -67.8 | -41.5 | 179.9 | -177.7 | 61.1 | -170.5 | 0 | 0 | 112 | F74 V77 K128 L129 F134 R135 R136 | F74-E132 HydrophobicContact CB-CG 3.97Å; F74-E132 HydrophobicContact CD1-CG 4.32Å; F74-E132 HydrophobicContact CD2-CB 4.37Å; F74-E132 HydrophobicContact CD2-CG 3.49Å; F74-E132 VanDerWaalsContact CD2-CG 3.49Å; F74-E132 HydrophobicContact CE2-CG 4Å; F74-E132 HydrophobicContact CG-CG 3.67Å; V77-E132 HydrophobicContact CG1-CB 4.28Å; V77-E132 HydrophobicContact CG1-CG 4.25Å; K128-E132 VanDerWaalsContact O-CB 3.23Å; K128-E132 WeakPolarHBondContact O-CB 3.46Å; K128-E132 PolarHBondContact O-N 3.44Å; L129-E132 PolarHBondContact O-N 3.35Å; E132-F134 VanDerWaalsContact C-N 3.32Å; E132-F134 PolarHBondContact O-N 3.07Å; E132-R135 PolarHBondContact O-N 3.25Å; E132-R135 IonicContact OE1-CZ 3.27Å; E132-R135 IonicContact OE1-NE 2.79Å; E132-R135 IonicContact OE1-NH2 3.71Å; E132-R135 PolarHBondContact OE1-NH2 3.27Å; E132-R135 IonicContact OE2-CZ 3.84Å; E132-R135 IonicContact OE2-NE 3.49Å; E132-R135 PolarHBondContact OE2-NE 2.86Å; E132-R135 IonicContact OE2-NH2 2.77Å; E132-R135 PolarHBondContact OE2-NH2 2.98Å; E132-R136 HydrophobicContact CG-CG 4.29Å; E132-R136 WeakPolarHBondContact O-CB 3.3Å; E132-R136 WeakPolarHBondContact O-CG 3.44Å; E132-R136 PolarHBondContact O-N 3.46Å; E132-R136 IonicContact OE1-CZ 3.34Å; E132-R136 IonicContact OE1-NE 3.44Å; E132-R136 PolarHBondContact OE1-NE 3.15Å; E132-R136 IonicContact OE1-NH2 3.24Å; E132-R136 PolarHBondContact OE1-NH2 3.37Å |
| 133 | L | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -57.1 | -45.6 | 173.6 | -78.4 | 165 | 0 | 0 | 0 | 111.6 | I10 V13 S14 Y17 F74 L129 R136 A137 | I10-L133 HydrophobicContact CD1-CD1 3.64Å; V13-L133 HydrophobicContact CB-CB 4.22Å; V13-L133 HydrophobicContact CG2-CB 3.92Å; V13-L133 HydrophobicContact CG2-CD1 4.03Å; S14-L133 WeakPolarHBondContact OG-CD1 3.4Å; Y17-L133 HydrophobicContact CD1-CD2 3.49Å; Y17-L133 VanDerWaalsContact CD1-CD2 3.49Å; Y17-L133 HydrophobicContact CE1-CD2 4Å; Y17-L133 HydrophobicContact CG-CD2 3.82Å; F74-L133 HydrophobicContact CE2-CD2 3.95Å; F74-L133 HydrophobicContact CE2-CG 4.2Å; F74-L133 HydrophobicContact CZ-CD2 3.97Å; L129-L133 HydrophobicContact CD1-CD1 3.94Å; L129-L133 HydrophobicContact CD1-CG 4.13Å; L129-L133 HydrophobicContact CG-CD1 3.96Å; L129-L133 WeakPolarHBondContact O-CB 3.36Å; L129-L133 WeakPolarHBondContact O-CG 3.27Å; L129-L133 PolarHBondContact O-N 2.79Å; L133-R136 PolarHBondContact O-N 3.49Å; L133-A137 WeakPolarHBondContact O-CB 3.42Å; L133-A137 PolarHBondContact O-N 3.07Å |
| 134 | F | 98.8 | Very high | 98.2 | Very high | 17 Ų | 17 | 36.3 Ų | 36.3 | 8% | 0.075 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.7 | -47.6 | 176.6 | 179 | -110 | 0 | 0 | 0 | 111.7 | V13 I28 L34 T130 D131 E132 R136 A137 Q138 T145 L147 | V13-F134 HydrophobicContact CB-CB 4.31Å; V13-F134 HydrophobicContact CG1-CB 4Å; I28-F134 HydrophobicContact CD1-CD2 3.63Å; I28-F134 HydrophobicContact CD1-CE2 3.81Å; I28-F134 HydrophobicContact CG1-CE2 4.5Å; L34-F134 HydrophobicContact CD1-CB 3.63Å; L34-F134 HydrophobicContact CD1-CD1 3.35Å; L34-F134 HydrophobicContact CD1-CD2 4.2Å; L34-F134 HydrophobicContact CD1-CE1 4.03Å; L34-F134 HydrophobicContact CD1-CG 3.44Å; L34-F134 VanDerWaalsContact CD1-CG 3.44Å; T130-F134 PolarHBondContact O-N 3.5Å; D131-F134 PolarHBondContact O-N 3.04Å; E132-F134 VanDerWaalsContact C-N 3.32Å; E132-F134 PolarHBondContact O-N 3.07Å; F134-R136 VanDerWaalsContact C-N 3.26Å; F134-R136 PolarHBondContact O-N 2.96Å; F134-A137 WeakPolarHBondContact O-CA 3.34Å; F134-A137 WeakPolarHBondContact O-CB 3.36Å; F134-A137 PolarHBondContact O-N 2.85Å; F134-Q138 HydrophobicContact CD1-CG 4.27Å; F134-Q138 HydrophobicContact CD2-CG 4.49Å; F134-Q138 HydrophobicContact CE1-CG 3.85Å; F134-Q138 VanDerWaalsContact CE1-OE1 3.28Å; F134-Q138 HydrophobicContact CE2-CG 4.08Å; F134-Q138 VanDerWaalsContact CZ-CD 3.48Å; F134-Q138 HydrophobicContact CZ-CG 3.73Å; F134-Q138 WeakPolarHBondContact O-CG 3.36Å; F134-Q138 PolarHBondContact O-N 3.06Å; F134-T145 HydrophobicContact CD2-CG2 4.39Å; F134-T145 HydrophobicContact CE2-CG2 3.94Å; F134-L147 HydrophobicContact CE1-CB 4.22Å; F134-L147 HydrophobicContact CE2-CB 4.2Å; F134-L147 HydrophobicContact CZ-CB 3.58Å |
| 135 | R | 98.6 | Very high | 98.2 | Very high | 112 Ų | 112 | 36.2 Ų | 36.2 | 42% | 0.423 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -56.3 | -41.6 | 177.7 | -168.7 | -166.8 | 70.3 | 77.4 | -3.7 | 111.6 | D131 E132 Q138 Y139 | D131-R135 WeakPolarHBondContact O-CB 3.08Å; D131-R135 PolarHBondContact O-N 2.79Å; E132-R135 PolarHBondContact O-N 3.25Å; E132-R135 IonicContact OE1-CZ 3.27Å; E132-R135 IonicContact OE1-NE 2.79Å; E132-R135 IonicContact OE1-NH2 3.71Å; E132-R135 PolarHBondContact OE1-NH2 3.27Å; E132-R135 IonicContact OE2-CZ 3.84Å; E132-R135 IonicContact OE2-NE 3.49Å; E132-R135 PolarHBondContact OE2-NE 2.86Å; E132-R135 IonicContact OE2-NH2 2.77Å; E132-R135 PolarHBondContact OE2-NH2 2.98Å; R135-Q138 PolarHBondContact O-N 3.04Å; R135-Y139 PolarHBondContact O-N 3.42Å |
| 136 | R | 98.5 | Very high | 98.2 | Very high | 50 Ų | 50 | 41 Ų | 41 | 19% | 0.189 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -66.8 | -40.7 | 176.3 | -67.3 | -84.9 | 175.3 | 159.5 | -1.8 | 111.5 | Y17 E73 F74 E132 L133 F134 Q138 Y139 L140 | Y17-R136 HydrophobicContact CD2-CB 3.8Å; Y17-R136 HydrophobicContact CE2-CB 3.54Å; Y17-R136 HydrophobicContact CE2-CG 4.49Å; E73-R136 PolarHBondContact O-NH1 3.25Å; E73-R136 PolarHBondContact O-NH2 3.06Å; F74-R136 HydrophobicContact CD1-CG 3.95Å; F74-R136 HydrophobicContact CE1-CB 4.25Å; F74-R136 HydrophobicContact CE1-CG 3.5Å; F74-R136 VanDerWaalsContact CE1-CG 3.5Å; F74-R136 HydrophobicContact CZ-CB 4.41Å; F74-R136 HydrophobicContact CZ-CG 3.9Å; E132-R136 HydrophobicContact CG-CG 4.29Å; E132-R136 WeakPolarHBondContact O-CB 3.3Å; E132-R136 WeakPolarHBondContact O-CG 3.44Å; E132-R136 PolarHBondContact O-N 3.46Å; E132-R136 IonicContact OE1-CZ 3.34Å; E132-R136 IonicContact OE1-NE 3.44Å; E132-R136 PolarHBondContact OE1-NE 3.15Å; E132-R136 IonicContact OE1-NH2 3.24Å; E132-R136 PolarHBondContact OE1-NH2 3.37Å; L133-R136 PolarHBondContact O-N 3.49Å; F134-R136 VanDerWaalsContact C-N 3.26Å; F134-R136 PolarHBondContact O-N 2.96Å; R136-Q138 VanDerWaalsContact C-N 3.34Å; R136-Q138 PolarHBondContact O-N 2.89Å; R136-Y139 PolarHBondContact O-N 3.04Å; R136-L140 VanDerWaalsContact O-CG 3.29Å; R136-L140 WeakPolarHBondContact O-CG 3.36Å; R136-L140 PolarHBondContact O-N 3.03Å |
| 137 | A | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.7 | -44.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | A16 S20 L133 F134 L140 T141 T145 | A16-A137 HydrophobicContact CB-CB 4.42Å; S20-A137 WeakPolarHBondContact OG-CA 3.5Å; L133-A137 WeakPolarHBondContact O-CB 3.42Å; L133-A137 PolarHBondContact O-N 3.07Å; F134-A137 WeakPolarHBondContact O-CA 3.34Å; F134-A137 WeakPolarHBondContact O-CB 3.36Å; F134-A137 PolarHBondContact O-N 2.85Å; A137-L140 PolarHBondContact O-N 3.36Å; A137-T141 PolarHBondContact O-N 3.49Å; A137-T141 VanDerWaalsContact O-N 3.14Å; A137-T141 PolarHBondContact O-OG1 3.21Å; A137-T145 HydrophobicContact CB-CG2 4.05Å |
| 138 | Q | 98.5 | Very high | 98.1 | Very high | 44 Ų | 44 | 44 Ų | 44 | 21% | 0.206 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.1 | -43.8 | 174.9 | -62.7 | -165.4 | -71.4 | 0 | 0 | 111.7 | F134 R135 R136 T141 N142 Q143 T145 | F134-Q138 HydrophobicContact CD1-CG 4.27Å; F134-Q138 HydrophobicContact CD2-CG 4.49Å; F134-Q138 HydrophobicContact CE1-CG 3.85Å; F134-Q138 VanDerWaalsContact CE1-OE1 3.28Å; F134-Q138 HydrophobicContact CE2-CG 4.08Å; F134-Q138 VanDerWaalsContact CZ-CD 3.48Å; F134-Q138 HydrophobicContact CZ-CG 3.73Å; F134-Q138 WeakPolarHBondContact O-CG 3.36Å; F134-Q138 PolarHBondContact O-N 3.06Å; R135-Q138 PolarHBondContact O-N 3.04Å; R136-Q138 VanDerWaalsContact C-N 3.34Å; R136-Q138 PolarHBondContact O-N 2.89Å; Q138-T141 PolarHBondContact O-N 3.38Å; Q138-T141 PolarHBondContact O-OG1 3.3Å; Q138-N142 PolarHBondContact O-N 3.17Å; Q138-N142 VanDerWaalsContact O-N 3.13Å; Q138-Q143 PolarHBondContact O-N 3.29Å; Q138-T145 WeakPolarHBondContact CG-O 3.44Å; Q138-T145 PolarHBondContact NE2-O 2.86Å |
| 139 | Y | 98.3 | Very high | 98 | Very high | 130 Ų | 130 | 44 Ų | 44 | 51% | 0.51 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -60.2 | -49.7 | 176.8 | 174.2 | -98 | 0 | 0 | 0 | 111.7 | R135 R136 T141 N142 N370 | R135-Y139 PolarHBondContact O-N 3.42Å; R136-Y139 PolarHBondContact O-N 3.04Å; Y139-T141 PolarHBondContact O-N 3.37Å; Y139-N142 PolarHBondContact O-N 2.57Å; Y139-N142 VanDerWaalsContact O-N 3.13Å; Y139-N370 HydrophobicContact CE1-CB 4.2Å; Y139-N370 PolarHBondContact O-ND2 2.9Å |
| 140 | L | 98.4 | Very high | 97.8 | Very high | 5 Ų | 5 | 43.9 Ų | 43.9 | 3% | 0.026 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.7 | -30.8 | -178.1 | -69.5 | 173.9 | 0 | 0 | 0 | 112.9 | Y17 S20 K21 R136 A137 S369 N370 V371 M375 | Y17-L140 HydrophobicContact CD2-CD1 4.07Å; Y17-L140 HydrophobicContact CE2-CD1 3.67Å; S20-L140 VanDerWaalsContact OG-CD1 3.26Å; S20-L140 WeakPolarHBondContact OG-CD1 2.92Å; K21-L140 HydrophobicContact CG-CD1 3.67Å; R136-L140 VanDerWaalsContact O-CG 3.29Å; R136-L140 WeakPolarHBondContact O-CG 3.36Å; R136-L140 PolarHBondContact O-N 3.03Å; A137-L140 PolarHBondContact O-N 3.36Å; L140-S369 WeakPolarHBondContact O-CA 3.46Å; L140-S369 WeakPolarHBondContact O-CB 3.35Å; L140-S369 PolarHBondContact O-OG 3.06Å; L140-N370 PolarHBondContact O-N 3.3Å; L140-V371 HydrophobicContact CB-CG2 3.97Å; L140-V371 HydrophobicContact CD2-CG2 3.99Å; L140-V371 HydrophobicContact CG-CG2 4.44Å; L140-M375 HydrophobicContact CD2-CE 3.44Å; L140-M375 VanDerWaalsContact CD2-CE 3.44Å |
| 141 | T | 97.7 | Very high | 97.5 | Very high | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.006 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | 9.4 | 179.2 | 50.8 | 0 | 0 | 0 | 0 | 113.8 | D25 A137 Q138 Y139 Q143 G144 T145 | D25-T141 VanDerWaalsContact OD1-CB 3.29Å; D25-T141 WeakPolarHBondContact OD1-CB 3.48Å; D25-T141 VanDerWaalsContact OD1-CG2 3.29Å; D25-T141 WeakPolarHBondContact OD1-CG2 3.31Å; A137-T141 PolarHBondContact O-N 3.49Å; A137-T141 VanDerWaalsContact O-N 3.14Å; A137-T141 PolarHBondContact O-OG1 3.21Å; Q138-T141 PolarHBondContact O-N 3.38Å; Q138-T141 PolarHBondContact O-OG1 3.3Å; Y139-T141 PolarHBondContact O-N 3.37Å; T141-Q143 VanDerWaalsContact C-N 3.27Å; T141-Q143 PolarHBondContact O-N 3.46Å; T141-G144 WeakPolarHBondContact O-CA 3.36Å; T141-G144 PolarHBondContact O-N 3.01Å; T141-T145 VanDerWaalsContact OG1-CB 3.32Å; T141-T145 WeakPolarHBondContact OG1-CB 3.27Å; T141-T145 PolarHBondContact OG1-N 3.35Å; T141-T145 PolarHBondContact OG1-OG1 3.28Å |
| 142 | N | 97.3 | Very high | 97.4 | Very high | 73 Ų | 73 | 45.4 Ų | 45.4 | 39% | 0.39 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 47.3 | 50.2 | -173.8 | -164.7 | 20.6 | 0 | 0 | 0 | 112.6 | Q138 Y139 G144 N368 | Q138-N142 PolarHBondContact O-N 3.17Å; Q138-N142 VanDerWaalsContact O-N 3.13Å; Y139-N142 PolarHBondContact O-N 2.57Å; Y139-N142 VanDerWaalsContact O-N 3.13Å; N142-G144 PolarHBondContact O-N 3.45Å; N142-N368 VanDerWaalsContact ND2-CG 3.33Å; N142-N368 PolarHBondContact ND2-ND2 3.46Å; N142-N368 PolarHBondContact ND2-OD1 2.92Å |
| 143 | Q | 97 | Very high | 97.3 | Very high | 103 Ų | 103 | 47.5 Ų | 47.5 | 48% | 0.481 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.6 | 13.5 | -175.1 | -49.4 | -62 | -39.8 | 0 | 0 | 115.4 | Q138 T141 K146 | Q138-Q143 PolarHBondContact O-N 3.29Å; T141-Q143 VanDerWaalsContact C-N 3.27Å; T141-Q143 PolarHBondContact O-N 3.46Å; Q143-K146 WeakPolarHBondContact O-CE 3.41Å |
| 144 | G | 97 | Very high | 97.2 | Very high | 19 Ų | 19 | 47.9 Ų | 47.9 | 20% | 0.196 | 22% | 0.221 | C | C | . | . | trans | -66.6 | -34.7 | 172 | 0 | 0 | 0 | 0 | 0 | 113 | T141 N142 | T141-G144 WeakPolarHBondContact O-CA 3.36Å; T141-G144 PolarHBondContact O-N 3.01Å; N142-G144 PolarHBondContact O-N 3.45Å | ||
| 145 | T | 98.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -77.2 | 125.1 | 168.4 | -67.3 | 0 | 0 | 0 | 0 | 110.6 | A16 T26 F134 A137 Q138 T141 | A16-T145 HydrophobicContact CB-CG2 4.35Å; T26-T145 CarbonylContact O-C 3.6Å; T26-T145 VanDerWaalsContact O-CA 3.24Å; T26-T145 WeakPolarHBondContact O-CA 3.21Å; T26-T145 VanDerWaalsContact OG1-CG2 3.3Å; T26-T145 WeakPolarHBondContact OG1-CG2 3.42Å; T26-T145 PolarHBondContact OG1-OG1 2.8Å; F134-T145 HydrophobicContact CD2-CG2 4.39Å; F134-T145 HydrophobicContact CE2-CG2 3.94Å; A137-T145 HydrophobicContact CB-CG2 4.05Å; Q138-T145 WeakPolarHBondContact CG-O 3.44Å; Q138-T145 PolarHBondContact NE2-O 2.86Å; T141-T145 VanDerWaalsContact OG1-CB 3.32Å; T141-T145 WeakPolarHBondContact OG1-CB 3.27Å; T141-T145 PolarHBondContact OG1-N 3.35Å; T141-T145 PolarHBondContact OG1-OG1 3.28Å |
| 146 | K | 98 | Very high | 97.1 | Very high | 126 Ų | 126 | 45 Ų | 45 | 55% | 0.548 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 158.4 | -171.7 | -64.1 | -178.8 | -175.5 | -178.2 | 0 | 111.9 | T26 L27 I28 Q143 | T26-K146 PolarHBondContact O-N 3.06Å; L27-K146 HydrophobicContact CD1-CB 3.94Å; I28-K146 PolarHBondContact N-O 3.08Å; Q143-K146 WeakPolarHBondContact O-CE 3.41Å |
| 147 | L | 97.9 | Very high | 97 | Very high | 61 Ų | 61 | 44.8 Ų | 44.8 | 32% | 0.319 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 129 | 173.4 | 178.4 | 62.9 | 0 | 0 | 0 | 109.2 | I28 E30 L34 F134 I149 | I28-L147 HydrophobicContact CB-CD1 4.15Å; I28-L147 HydrophobicContact CG2-CD1 4.06Å; I28-L147 CarbonylContact O-C 3.57Å; I28-L147 WeakPolarHBondContact O-CA 3.03Å; E30-L147 HydrophobicContact CB-CD1 3.81Å; L34-L147 HydrophobicContact CD1-CD2 4.19Å; L34-L147 HydrophobicContact CD2-CD1 3.74Å; L34-L147 HydrophobicContact CD2-CD2 4.06Å; L34-L147 HydrophobicContact CG-CD1 4.44Å; L34-L147 HydrophobicContact CG-CD2 3.84Å; F134-L147 HydrophobicContact CE1-CB 4.22Å; F134-L147 HydrophobicContact CE2-CB 4.2Å; F134-L147 HydrophobicContact CZ-CB 3.58Å; L147-I149 HydrophobicContact CD1-CD1 4.01Å; L147-I149 HydrophobicContact CD2-CD1 3.83Å; L147-I149 HydrophobicContact CG-CD1 3.76Å |
| 148 | K | 96 | Very high | 96.7 | Very high | 42 Ų | 42 | 47.9 Ų | 47.9 | 18% | 0.183 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 126.2 | 167 | -179.3 | 179.2 | 172.4 | 96.2 | 0 | 108.7 | L27 I28 I29 E30 A150 E174 E181 I183 | L27-K148 HydrophobicContact CD1-CB 4.02Å; I28-K148 PolarHBondContact O-N 3.13Å; I29-K148 WeakPolarHBondContact CA-O 3.5Å; E30-K148 PolarHBondContact N-O 2.93Å; K148-A150 HydrophobicContact CD-CB 4.44Å; K148-A150 HydrophobicContact CG-CB 4.25Å; K148-A150 PolarHBondContact O-N 2.82Å; K148-E174 IonicContact NZ-OE1 3.5Å; K148-E174 PolarHBondContact NZ-OE1 3.48Å; K148-E181 WeakPolarHBondContact CE-OE1 3.45Å; K148-E181 IonicContact NZ-OE1 3.37Å; K148-E181 PolarHBondContact NZ-OE1 3.36Å; K148-I183 HydrophobicContact CD-CD1 3.55Å |
| 149 | I | 95 | Very high | 95.8 | Very high | 71 Ų | 71 | 51.5 Ų | 51.5 | 36% | 0.364 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 103 | 173.9 | -56.1 | -47.8 | 0 | 0 | 0 | 109 | E30 K31 E32 L147 | E30-I149 HydrophobicContact CB-CD1 4.26Å; E30-I149 HydrophobicContact CG-CD1 4.46Å; E30-I149 CarbonylContact O-C 3.42Å; E30-I149 WeakPolarHBondContact O-CA 3.42Å; K31-I149 WeakPolarHBondContact O-CG2 3.47Å; E32-I149 WeakPolarHBondContact O-CD1 3.48Å; E32-I149 WeakPolarHBondContact O-CG2 3.13Å; L147-I149 HydrophobicContact CD1-CD1 4.01Å; L147-I149 HydrophobicContact CD2-CD1 3.83Å; L147-I149 HydrophobicContact CG-CD1 3.76Å |
| 150 | A | 94.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 25% | 0.253 | C | S | . | . | trans | -160.7 | 153.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | I29 E30 K31 K148 V172 | I29-A150 HydrophobicContact CG2-CB 4.12Å; I29-A150 WeakPolarHBondContact CG2-O 3.34Å; E30-A150 CarbonylContact C-O 3.47Å; E30-A150 PolarHBondContact O-N 3.13Å; E30-A150 VanDerWaalsContact O-O 3.12Å; K31-A150 WeakPolarHBondContact CA-O 3.12Å; K148-A150 HydrophobicContact CD-CB 4.44Å; K148-A150 HydrophobicContact CG-CB 4.25Å; K148-A150 PolarHBondContact O-N 2.82Å; A150-V172 HydrophobicContact CB-CB 4.07Å; A150-V172 HydrophobicContact CB-CG2 4.3Å | ||
| 151 | R | 94 | Very high | 93.6 | Very high | 78 Ų | 78 | 55.8 Ų | 55.8 | 29% | 0.294 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 119.1 | 172.6 | -176.7 | -177.5 | 176 | 177.2 | 0.2 | 109.5 | K31 I153 V172 I173 E198 | K31-R151 HydrophobicContact CD-CG 4.49Å; K31-R151 HydrophobicContact CG-CB 4.17Å; K31-R151 HydrophobicContact CG-CG 4.49Å; R151-I153 HydrophobicContact CG-CG2 3.99Å; R151-V172 CarbonylContact O-C 3.49Å; R151-V172 WeakPolarHBondContact O-CA 3.41Å; R151-I173 PolarHBondContact N-O 3.48Å; R151-I173 PolarHBondContact O-N 3.4Å; R151-E198 IonicContact NH2-OE1 3.7Å; R151-E198 PolarHBondContact NH2-OE1 2.95Å |
| 152 | V | 96.5 | Very high | 92.5 | Very high | 13 Ų | 13 | 62.4 Ų | 62.4 | 8% | 0.079 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 132.3 | 165 | -179.4 | 0 | 0 | 0 | 0 | 109.5 | V6 I29 V170 R171 V172 W202 | V6-V152 HydrophobicContact CB-CG2 4.45Å; V6-V152 HydrophobicContact CG1-CB 3.83Å; V6-V152 HydrophobicContact CG1-CG1 4.12Å; V6-V152 HydrophobicContact CG1-CG2 3.59Å; V6-V152 HydrophobicContact CG2-CG2 4.15Å; I29-V152 HydrophobicContact CB-CG2 4Å; I29-V152 HydrophobicContact CD1-CG2 4.36Å; I29-V152 HydrophobicContact CG2-CG2 3.59Å; V152-V170 HydrophobicContact CB-CG1 4.12Å; V152-V170 HydrophobicContact CG1-CG1 3.35Å; V152-V170 HydrophobicContact CG2-CG1 3.65Å; V152-R171 WeakPolarHBondContact CA-O 3.47Å; V152-V172 HydrophobicContact CG2-CG1 4.02Å; V152-W202 HydrophobicContact CB-CH2 3.94Å; V152-W202 HydrophobicContact CB-CZ3 4.28Å; V152-W202 HydrophobicContact CG1-CE3 4.18Å; V152-W202 HydrophobicContact CG1-CH2 3.57Å; V152-W202 HydrophobicContact CG1-CZ2 4.26Å; V152-W202 HydrophobicContact CG1-CZ3 3.52Å |
| 153 | I | 95.6 | Very high | 91.6 | Very high | 52 Ų | 52 | 62 Ų | 62 | 27% | 0.267 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | -3.7 | -179 | 58.3 | 156.7 | 0 | 0 | 0 | 113.4 | R151 R171 I173 W202 | R151-I153 HydrophobicContact CG-CG2 3.99Å; I153-R171 HydrophobicContact CD1-CG 3.79Å; I153-R171 HydrophobicContact CG1-CB 4.16Å; I153-R171 HydrophobicContact CG1-CG 3.74Å; I153-R171 WeakPolarHBondContact CG1-O 3.32Å; I153-R171 PolarHBondContact N-O 2.87Å; I153-I173 HydrophobicContact CD1-CD1 3.88Å; I153-I173 HydrophobicContact CD1-CG1 3.77Å; I153-I173 HydrophobicContact CG1-CG1 4.23Å; I153-I173 HydrophobicContact CG2-CD1 3.91Å; I153-I173 HydrophobicContact CG2-CG1 4.08Å; I153-W202 PolarHBondContact O-NE1 3.43Å |
| 154 | G | 97.5 | Very high | 91.1 | Very high | 9 Ų | 9 | 60 Ų | 60 | 9% | 0.093 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 176.2 | 171.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | R171 | G154-R171 PolarHBondContact N-O 2.89Å; G154-R171 PolarHBondContact O-N 3.12Å |
| 155 | L | 98.1 | Very high | 90.9 | Very high | 14 Ų | 14 | 60.9 Ų | 60.9 | 7% | 0.073 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 142.2 | 173.2 | -59.5 | -178.5 | 0 | 0 | 0 | 109.2 | F157 V167 V170 V188 L190 W202 L203 | L155-F157 HydrophobicContact CB-CD2 4.41Å; L155-F157 HydrophobicContact CB-CE2 3.58Å; L155-F157 HydrophobicContact CB-CZ 3.88Å; L155-F157 HydrophobicContact CD1-CE2 4.47Å; L155-F157 HydrophobicContact CD1-CZ 4Å; L155-V167 HydrophobicContact CB-CG2 4.2Å; L155-V170 HydrophobicContact CD2-CB 4.42Å; L155-V170 HydrophobicContact CD2-CG1 4.29Å; L155-V170 HydrophobicContact CD2-CG2 3.86Å; L155-V188 HydrophobicContact CD2-CG1 3.92Å; L155-L190 HydrophobicContact CD1-CD2 4.42Å; L155-W202 HydrophobicContact CB-CB 4.4Å; L155-W202 HydrophobicContact CD1-CB 4.4Å; L155-W202 HydrophobicContact CD2-CE3 4.44Å; L155-W202 HydrophobicContact CG-CB 4.04Å; L155-W202 HydrophobicContact CG-CE3 4.16Å; L155-L203 HydrophobicContact CD1-CD2 4Å |
| 156 | E | 97 | Very high | 90.7 | Very high | 55 Ų | 55 | 65.7 Ų | 65.7 | 26% | 0.257 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 136.4 | 173 | -64.3 | -56.6 | 131.1 | 0 | 0 | 109.8 | V167 S168 G169 R171 V182 | E156-V167 CarbonylContact O-C 3.37Å; E156-V167 WeakPolarHBondContact O-CA 3.11Å; E156-V167 WeakPolarHBondContact O-CG2 3.4Å; E156-S168 PolarHBondContact O-N 3.26Å; E156-S168 PolarHBondContact O-OG 2.82Å; E156-G169 PolarHBondContact N-O 3.22Å; E156-G169 PolarHBondContact O-N 3.32Å; E156-R171 IonicContact OE1-CZ 3.09Å; E156-R171 IonicContact OE1-NE 2.84Å; E156-R171 PolarHBondContact OE1-NE 3.04Å; E156-R171 IonicContact OE1-NH2 2.63Å; E156-R171 PolarHBondContact OE1-NH2 2.9Å; E156-R171 IonicContact OE2-NH2 3.39Å; E156-R171 PolarHBondContact OE2-NH2 3.22Å; E156-V182 HydrophobicContact CB-CG1 4.28Å; E156-V182 HydrophobicContact CG-CB 4.39Å; E156-V182 HydrophobicContact CG-CG1 3.62Å; E156-V182 HydrophobicContact CG-CG2 3.79Å |
| 157 | F | 96.2 | Very high | 90.7 | Very high | 45 Ų | 45 | 59.9 Ų | 59.9 | 20% | 0.197 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 131.5 | 179.5 | -65.4 | -91.6 | 0 | 0 | 0 | 110.8 | L155 T159 P165 K166 V167 W202 L203 P204 L328 V331 | L155-F157 HydrophobicContact CB-CD2 4.41Å; L155-F157 HydrophobicContact CB-CE2 3.58Å; L155-F157 HydrophobicContact CB-CZ 3.88Å; L155-F157 HydrophobicContact CD1-CE2 4.47Å; L155-F157 HydrophobicContact CD1-CZ 4Å; F157-T159 PolarHBondContact O-N 3.12Å; F157-P165 HydrophobicContact CB-CB 4.45Å; F157-P165 HydrophobicContact CD1-CB 4.24Å; F157-K166 CarbonylContact C-O 3.5Å; F157-K166 WeakPolarHBondContact CA-O 3.37Å; F157-V167 HydrophobicContact CD1-CB 4.18Å; F157-V167 HydrophobicContact CE1-CB 3.94Å; F157-V167 HydrophobicContact CE1-CG2 4.42Å; F157-W202 WeakPolarHBondContact CE2-O 3.35Å; F157-L203 HydrophobicContact CZ-CD2 4.43Å; F157-P204 HydrophobicContact CD1-CG 4.29Å; F157-P204 HydrophobicContact CD2-CG 4.43Å; F157-P204 HydrophobicContact CE1-CG 4.2Å; F157-P204 HydrophobicContact CE2-CG 4.33Å; F157-P204 HydrophobicContact CG-CG 4.42Å; F157-P204 HydrophobicContact CZ-CG 4.23Å; F157-L328 HydrophobicContact CD1-CD2 4.18Å; F157-L328 HydrophobicContact CE1-CD1 3.92Å; F157-L328 HydrophobicContact CE1-CD2 3.76Å; F157-L328 HydrophobicContact CZ-CD1 4.28Å; F157-V331 HydrophobicContact CE1-CG2 4.33Å |
| 158 | S | 91.9 | Very high | 90.7 | Very high | 64 Ų | 64 | 59.4 Ų | 59.4 | 45% | 0.448 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 120 | 161.2 | 59.6 | 0 | 0 | 0 | 0 | 108.8 | K166 | S158-K166 PolarHBondContact N-O 3.35Å; S158-K166 PolarHBondContact O-N 3.29Å; S158-K166 PolarHBondContact OG-O 3.44Å; S158-K166 VanDerWaalsContact OG-O 3.13Å |
| 159 | T | 79.1 | Confident | 90.8 | Very high | 121 Ų | 121 | 57.4 Ų | 57.4 | 74% | 0.742 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 130.7 | 174 | 54.2 | 0 | 0 | 0 | 0 | 109.5 | F157 | F157-T159 PolarHBondContact O-N 3.12Å |
| 160 | S | 76.9 | Confident | 90.9 | Very high | 49 Ų | 49 | 54 Ų | 54 | 34% | 0.343 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 151.7 | 163.2 | 95 | 0 | 0 | 0 | 0 | 108.5 | T162 S163 | S160-T162 PolarHBondContact O-N 3.21Å; S160-T162 VanDerWaalsContact O-N 3.17Å; S160-T162 PolarHBondContact OG-N 3.37Å; S160-T162 PolarHBondContact OG-OG1 2.87Å; S160-S163 WeakPolarHBondContact OG-CB 3.39Å; S160-S163 PolarHBondContact OG-N 2.68Å; S160-S163 PolarHBondContact OG-OG 3.4Å |
| 161 | N | 73.3 | Confident | 91.1 | Very high | 176 Ų | 176 | 57.7 Ų | 57.7 | 94% | 0.941 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -12.1 | 177.9 | -70.9 | -10.8 | 0 | 0 | 0 | 113 | ||
| 162 | T | 75.4 | Confident | 91.2 | Very high | 140 Ų | 140 | 54 Ų | 54 | 86% | 0.859 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.6 | -5.6 | -170.5 | 56.8 | 0 | 0 | 0 | 0 | 114.2 | S160 | S160-T162 PolarHBondContact O-N 3.21Å; S160-T162 VanDerWaalsContact O-N 3.17Å; S160-T162 PolarHBondContact OG-N 3.37Å; S160-T162 PolarHBondContact OG-OG1 2.87Å |
| 163 | S | 78.5 | Confident | 91 | Very high | 64 Ų | 64 | 55.9 Ų | 55.9 | 45% | 0.448 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 153.3 | -175.4 | 74.2 | 0 | 0 | 0 | 0 | 112.3 | S160 | S160-S163 WeakPolarHBondContact OG-CB 3.39Å; S160-S163 PolarHBondContact OG-N 2.68Å; S160-S163 PolarHBondContact OG-OG 3.4Å |
| 164 | A | 86.4 | Confident | 90.4 | Very high | 61 Ų | 61 | 56.6 Ų | 56.6 | 50% | 0.504 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -52.3 | 144.9 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 165 | P | 92.7 | Very high | 89.1 | Confident | 37 Ų | 37 | 60.5 Ų | 60.5 | 24% | 0.24 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.5 | 143.2 | 178.8 | 23.5 | -31 | 0 | 0 | 0 | 110.6 | F157 P204 L328 | F157-P165 HydrophobicContact CB-CB 4.45Å; F157-P165 HydrophobicContact CD1-CB 4.24Å; P165-P204 HydrophobicContact CB-CG 4.35Å; P165-P204 HydrophobicContact CG-CB 4.41Å; P165-P204 HydrophobicContact CG-CG 3.97Å; P165-L328 HydrophobicContact CB-CD2 4.28Å; P165-L328 HydrophobicContact CG-CD2 3.83Å; P165-L328 VanDerWaalsContact O-CD2 3.3Å; P165-L328 WeakPolarHBondContact O-CD2 3.46Å |
| 166 | K | 95.2 | Very high | 87.9 | Confident | 102 Ų | 102 | 64.7 Ų | 64.7 | 44% | 0.443 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 134.3 | 174 | -70 | -172.3 | 179 | -176.4 | 0 | 109.7 | F157 S158 S168 S329 | F157-K166 CarbonylContact C-O 3.5Å; F157-K166 WeakPolarHBondContact CA-O 3.37Å; S158-K166 PolarHBondContact N-O 3.35Å; S158-K166 PolarHBondContact O-N 3.29Å; S158-K166 PolarHBondContact OG-O 3.44Å; S158-K166 VanDerWaalsContact OG-O 3.13Å; K166-S168 PolarHBondContact O-N 3.14Å; K166-S329 WeakPolarHBondContact CE-OG 3.37Å |
| 167 | V | 97.4 | Very high | 86.7 | Confident | 4 Ų | 4 | 64.8 Ų | 64.8 | 2% | 0.024 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 135.2 | 173.4 | 71.5 | 0 | 0 | 0 | 0 | 108.8 | L155 E156 F157 G169 V188 N330 V331 | L155-V167 HydrophobicContact CB-CG2 4.2Å; E156-V167 CarbonylContact O-C 3.37Å; E156-V167 WeakPolarHBondContact O-CA 3.11Å; E156-V167 WeakPolarHBondContact O-CG2 3.4Å; F157-V167 HydrophobicContact CD1-CB 4.18Å; F157-V167 HydrophobicContact CE1-CB 3.94Å; F157-V167 HydrophobicContact CE1-CG2 4.42Å; V167-G169 WeakPolarHBondContact CG2-O 3.35Å; V167-V188 HydrophobicContact CB-CG2 4.4Å; V167-V188 HydrophobicContact CG1-CB 4.07Å; V167-V188 HydrophobicContact CG1-CG2 3.75Å; V167-V188 HydrophobicContact CG2-CB 4.39Å; V167-V188 HydrophobicContact CG2-CG2 3.72Å; V167-N330 VanDerWaalsContact CG1-ND2 3.32Å; V167-N330 WeakPolarHBondContact CG1-ND2 3.3Å; V167-N330 PolarHBondContact N-OD1 2.7Å; V167-N330 VanDerWaalsContact N-OD1 3.13Å; V167-N330 PolarHBondContact O-ND2 3.09Å; V167-V331 HydrophobicContact CB-CG2 3.69Å; V167-V331 HydrophobicContact CG1-CG2 3.56Å |
| 168 | S | 96.9 | Very high | 85.8 | Confident | 50 Ų | 50 | 68.5 Ų | 68.5 | 35% | 0.35 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | -14.9 | 178.2 | 55.9 | 0 | 0 | 0 | 0 | 112.5 | E156 K166 P184 A185 | E156-S168 PolarHBondContact O-N 3.26Å; E156-S168 PolarHBondContact O-OG 2.82Å; K166-S168 PolarHBondContact O-N 3.14Å; S168-P184 WeakPolarHBondContact O-CA 3.49Å; S168-A185 CarbonylContact C-O 3.56Å; S168-A185 VanDerWaalsContact C-O 3.24Å; S168-A185 WeakPolarHBondContact CA-O 3.32Å; S168-A185 PolarHBondContact O-N 3.41Å |
| 169 | G | 97.8 | Very high | 85.6 | Confident | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -174.4 | 173 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | E156 V167 I183 | E156-G169 PolarHBondContact N-O 3.22Å; E156-G169 PolarHBondContact O-N 3.32Å; V167-G169 WeakPolarHBondContact CG2-O 3.35Å; G169-I183 CarbonylContact C-O 3.31Å; G169-I183 WeakPolarHBondContact CA-O 3.24Å |
| 170 | V | 98.3 | Very high | 86.2 | Confident | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 124.9 | 176.9 | -178.8 | 0 | 0 | 0 | 0 | 108.2 | I4 V6 I29 V152 L155 V172 I183 A185 V188 | I4-V170 HydrophobicContact CB-CG2 4.22Å; I4-V170 HydrophobicContact CD1-CB 4.37Å; I4-V170 HydrophobicContact CD1-CG2 4.06Å; I4-V170 HydrophobicContact CG2-CG2 3.91Å; V6-V170 HydrophobicContact CG2-CG1 4.32Å; I29-V170 HydrophobicContact CD1-CB 4.4Å; I29-V170 HydrophobicContact CD1-CG1 4.14Å; V152-V170 HydrophobicContact CB-CG1 4.12Å; V152-V170 HydrophobicContact CG1-CG1 3.35Å; V152-V170 HydrophobicContact CG2-CG1 3.65Å; L155-V170 HydrophobicContact CD2-CB 4.42Å; L155-V170 HydrophobicContact CD2-CG1 4.29Å; L155-V170 HydrophobicContact CD2-CG2 3.86Å; V170-V172 HydrophobicContact CG1-CG1 4.07Å; V170-I183 PolarHBondContact N-O 3.13Å; V170-I183 PolarHBondContact O-N 3.41Å; V170-A185 HydrophobicContact CG2-CB 4.36Å; V170-V188 HydrophobicContact CG2-CG1 4.14Å; V170-V188 HydrophobicContact CG2-CG2 3.59Å |
| 171 | R | 97.6 | Very high | 87.1 | Confident | 78 Ų | 78 | 70 Ų | 70 | 29% | 0.294 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 125.5 | 177.9 | -171.6 | -179.6 | -67.5 | -84.4 | 2.7 | 109.6 | V152 I153 G154 E156 E181 V182 | V152-R171 WeakPolarHBondContact CA-O 3.47Å; I153-R171 HydrophobicContact CD1-CG 3.79Å; I153-R171 HydrophobicContact CG1-CB 4.16Å; I153-R171 HydrophobicContact CG1-CG 3.74Å; I153-R171 WeakPolarHBondContact CG1-O 3.32Å; I153-R171 PolarHBondContact N-O 2.87Å; G154-R171 PolarHBondContact N-O 2.89Å; G154-R171 PolarHBondContact O-N 3.12Å; E156-R171 IonicContact OE1-CZ 3.09Å; E156-R171 IonicContact OE1-NE 2.84Å; E156-R171 PolarHBondContact OE1-NE 3.04Å; E156-R171 IonicContact OE1-NH2 2.63Å; E156-R171 PolarHBondContact OE1-NH2 2.9Å; E156-R171 IonicContact OE2-NH2 3.39Å; E156-R171 PolarHBondContact OE2-NH2 3.22Å; R171-E181 CarbonylContact C-O 3.57Å; R171-E181 WeakPolarHBondContact CA-O 3.05Å; R171-V182 HydrophobicContact CB-CG2 4.42Å; R171-V182 HydrophobicContact CG-CG2 4.39Å |
| 172 | V | 96.5 | Very high | 88.2 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 153.3 | -176.5 | -52.6 | 0 | 0 | 0 | 0 | 112.2 | I29 A150 R151 V152 V170 S180 E181 I183 | I29-V172 HydrophobicContact CD1-CG1 3.97Å; I29-V172 HydrophobicContact CG2-CG1 4.25Å; A150-V172 HydrophobicContact CB-CB 4.07Å; A150-V172 HydrophobicContact CB-CG2 4.3Å; R151-V172 CarbonylContact O-C 3.49Å; R151-V172 WeakPolarHBondContact O-CA 3.41Å; V152-V172 HydrophobicContact CG2-CG1 4.02Å; V170-V172 HydrophobicContact CG1-CG1 4.07Å; V172-S180 CarbonylContact O-C 3.57Å; V172-S180 WeakPolarHBondContact O-CA 3.42Å; V172-E181 HydrophobicContact CG2-CG 3.39Å; V172-E181 PolarHBondContact N-O 2.94Å; V172-E181 PolarHBondContact O-N 3.06Å; V172-I183 HydrophobicContact CG1-CD1 4.17Å; V172-I183 HydrophobicContact CG2-CD1 3.99Å; V172-I183 HydrophobicContact CG2-CG1 4.15Å |
| 173 | I | 92.5 | Very high | 89.2 | Confident | 53 Ų | 53 | 59.2 Ų | 59.2 | 27% | 0.272 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 124 | 164.4 | -59.6 | 178.4 | 0 | 0 | 0 | 106.9 | R151 I153 T177 | R151-I173 PolarHBondContact N-O 3.48Å; R151-I173 PolarHBondContact O-N 3.4Å; I153-I173 HydrophobicContact CD1-CD1 3.88Å; I153-I173 HydrophobicContact CD1-CG1 3.77Å; I153-I173 HydrophobicContact CG1-CG1 4.23Å; I153-I173 HydrophobicContact CG2-CD1 3.91Å; I153-I173 HydrophobicContact CG2-CG1 4.08Å; I173-T177 WeakPolarHBondContact CG2-O 2.94Å |
| 174 | E | 83 | Confident | 90.1 | Very high | 67 Ų | 67 | 60.5 Ų | 60.5 | 31% | 0.313 | 36% | 0.361 | S | S | . | . | trans | -73.2 | 139.3 | 172.8 | -71.2 | -166.5 | 155.5 | 0 | 0 | 110.6 | K148 S176 T177 | K148-E174 IonicContact NZ-OE1 3.5Å; K148-E174 PolarHBondContact NZ-OE1 3.48Å; E174-S176 PolarHBondContact O-N 2.57Å; E174-T177 CarbonylContact O-C 3.6Å; E174-T177 PolarHBondContact O-N 3.19Å | ||
| 175 | S | 69.8 | Low | 90.7 | Very high | 90 Ų | 90 | 57.9 Ų | 57.9 | 63% | 0.629 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -23.6 | -177 | -53.9 | 0 | 0 | 0 | 0 | 113.7 | ||
| 176 | S | 72.8 | Confident | 90.8 | Very high | 103 Ų | 103 | 58 Ų | 58 | 72% | 0.72 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.5 | -17.9 | 178.3 | 52.1 | 0 | 0 | 0 | 0 | 114.2 | E174 | E174-S176 PolarHBondContact O-N 2.57Š|
| 177 | T | 73.9 | Confident | 91 | Very high | 57 Ų | 57 | 53.2 Ų | 53.2 | 35% | 0.35 | 32% | 0.32 | S | S | . | . | trans | -134.5 | 140.2 | -175.3 | 71 | 0 | 0 | 0 | 0 | 111.3 | I173 E174 N179 | I173-T177 WeakPolarHBondContact CG2-O 2.94Å; E174-T177 CarbonylContact O-C 3.6Å; E174-T177 PolarHBondContact O-N 3.19Å; T177-N179 PolarHBondContact O-N 2.86Å; T177-N179 VanDerWaalsContact O-N 3.12Å | ||
| 178 | S | 77.3 | Confident | 91.1 | Very high | 123 Ų | 123 | 53 Ų | 53 | 86% | 0.86 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -75.5 | 8 | 172.7 | -55.2 | 0 | 0 | 0 | 0 | 113.2 | ||
| 179 | N | 87.2 | Confident | 91.2 | Very high | 122 Ų | 122 | 50.6 Ų | 50.6 | 65% | 0.652 | 30% | 0.302 | S | S | * | . | trans | -86 | 133 | -177.8 | -70.5 | -17.5 | 0 | 0 | 0 | 110.2 | T177 | T177-N179 PolarHBondContact O-N 2.86Å; T177-N179 VanDerWaalsContact O-N 3.12Å | ||
| 180 | S | 91.8 | Very high | 91.2 | Very high | 62 Ų | 62 | 50.6 Ų | 50.6 | 43% | 0.434 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 138.2 | 170.4 | 72.6 | 0 | 0 | 0 | 0 | 110.9 | V172 | V172-S180 CarbonylContact O-C 3.57Å; V172-S180 WeakPolarHBondContact O-CA 3.42Å |
| 181 | E | 94.8 | Very high | 91.2 | Very high | 81 Ų | 81 | 51 Ų | 51 | 38% | 0.379 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 161.9 | 167.5 | 67.9 | 175.4 | 171.3 | 0 | 0 | 110.6 | K148 R171 V172 I183 | K148-E181 WeakPolarHBondContact CE-OE1 3.45Å; K148-E181 IonicContact NZ-OE1 3.37Å; K148-E181 PolarHBondContact NZ-OE1 3.36Å; R171-E181 CarbonylContact C-O 3.57Å; R171-E181 WeakPolarHBondContact CA-O 3.05Å; V172-E181 HydrophobicContact CG2-CG 3.39Å; V172-E181 PolarHBondContact N-O 2.94Å; V172-E181 PolarHBondContact O-N 3.06Å; E181-I183 HydrophobicContact CG-CG1 4.43Å |
| 182 | V | 96.5 | Very high | 91.2 | Very high | 63 Ų | 63 | 48 Ų | 48 | 38% | 0.382 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 119 | 171.3 | 176.1 | 0 | 0 | 0 | 0 | 108.1 | E156 R171 P184 | E156-V182 HydrophobicContact CB-CG1 4.28Å; E156-V182 HydrophobicContact CG-CB 4.39Å; E156-V182 HydrophobicContact CG-CG1 3.62Å; E156-V182 HydrophobicContact CG-CG2 3.79Å; R171-V182 HydrophobicContact CB-CG2 4.42Å; R171-V182 HydrophobicContact CG-CG2 4.39Å; V182-P184 WeakPolarHBondContact O-CD 3.28Å |
| 183 | I | 97.2 | Very high | 91.3 | Very high | 26 Ų | 26 | 48.9 Ų | 48.9 | 13% | 0.133 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 119.6 | 174.2 | -53.3 | -178.2 | 0 | 0 | 0 | 108.3 | I4 L27 I29 K148 G169 V170 V172 E181 A185 | I4-I183 HydrophobicContact CD1-CB 4.1Å; I4-I183 HydrophobicContact CD1-CG2 3.66Å; L27-I183 HydrophobicContact CD2-CD1 4.37Å; L27-I183 HydrophobicContact CD2-CG2 4.1Å; I29-I183 HydrophobicContact CD1-CD1 3.86Å; K148-I183 HydrophobicContact CD-CD1 3.55Å; G169-I183 CarbonylContact C-O 3.31Å; G169-I183 WeakPolarHBondContact CA-O 3.24Å; V170-I183 PolarHBondContact N-O 3.13Å; V170-I183 PolarHBondContact O-N 3.41Å; V172-I183 HydrophobicContact CG1-CD1 4.17Å; V172-I183 HydrophobicContact CG2-CD1 3.99Å; V172-I183 HydrophobicContact CG2-CG1 4.15Å; E181-I183 HydrophobicContact CG-CG1 4.43Å; I183-A185 PolarHBondContact O-N 3.18Å |
| 184 | P | 97.6 | Very high | 91.5 | Very high | 92 Ų | 92 | 46.9 Ų | 46.9 | 60% | 0.597 | 29% | 0.294 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60 | 135.4 | 178.3 | -24.8 | 34.9 | 0 | 0 | 0 | 112.4 | S2 S168 V182 | S2-P184 PolarHBondContact OG-O 3.41Å; S168-P184 WeakPolarHBondContact O-CA 3.49Å; V182-P184 WeakPolarHBondContact O-CD 3.28Å |
| 185 | A | 97.6 | Very high | 92.1 | Very high | 6 Ų | 6 | 46 Ų | 46 | 5% | 0.05 | 29% | 0.288 | C | S | . | . | trans | -138.5 | 132.4 | -179 | 0 | 0 | 0 | 0 | 0 | 110 | S2 I4 S168 V170 I183 V188 | S2-A185 VanDerWaalsContact OG-CA 3.31Å; S2-A185 WeakPolarHBondContact OG-CA 3.26Å; I4-A185 HydrophobicContact CB-CB 4.34Å; I4-A185 HydrophobicContact CD1-CB 3.71Å; I4-A185 HydrophobicContact CG1-CB 3.85Å; S168-A185 CarbonylContact C-O 3.56Å; S168-A185 VanDerWaalsContact C-O 3.24Å; S168-A185 WeakPolarHBondContact CA-O 3.32Å; S168-A185 PolarHBondContact O-N 3.41Å; V170-A185 HydrophobicContact CG2-CB 4.36Å; I183-A185 PolarHBondContact O-N 3.18Å; A185-V188 HydrophobicContact CB-CG2 3.57Å | ||
| 186 | S | 96.1 | Very high | 93.5 | Very high | 38 Ų | 38 | 41.8 Ų | 41.8 | 27% | 0.266 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -91.4 | -22.6 | 170 | 50.5 | 0 | 0 | 0 | 0 | 112.6 | M1 S2 N330 | M1-S186 WeakPolarHBondContact CA-OG 3.34Å; M1-S186 WeakPolarHBondContact CB-OG 3.35Å; M1-S186 WeakPolarHBondContact CG-OG 3.42Å; S2-S186 PolarHBondContact N-OG 3.17Å; S2-S186 PolarHBondContact O-N 2.94Å; S2-S186 PolarHBondContact O-OG 3.18Å; S2-S186 VanDerWaalsContact O-OG 3.07Å; S186-N330 WeakPolarHBondContact O-CB 3.43Å; S186-N330 PolarHBondContact O-ND2 3.44Å |
| 187 | L | 98.5 | Very high | 94.6 | Very high | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 134 | 176.7 | -173.1 | 151.2 | 0 | 0 | 0 | 108.4 | S2 V3 I4 I189 N330 Y332 I356 | S2-L187 PolarHBondContact O-N 3.16Å; V3-L187 WeakPolarHBondContact CA-O 3.5Å; V3-L187 HydrophobicContact CG1-CD2 3.89Å; V3-L187 HydrophobicContact CG2-CB 4.42Å; I4-L187 PolarHBondContact N-O 3.23Å; L187-I189 HydrophobicContact CD2-CD1 3.83Å; L187-I189 HydrophobicContact CD2-CG1 3.5Å; L187-I189 VanDerWaalsContact CD2-CG1 3.5Å; L187-N330 WeakPolarHBondContact CA-O 3.3Å; L187-Y332 HydrophobicContact CD1-CD2 4.18Å; L187-Y332 HydrophobicContact CD1-CE2 3.78Å; L187-Y332 HydrophobicContact CD2-CD2 4.08Å; L187-Y332 HydrophobicContact CG-CD2 4.12Å; L187-Y332 HydrophobicContact CG-CE2 4.15Å; L187-I356 HydrophobicContact CD1-CG2 3.93Å |
| 188 | V | 98.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 136.3 | 178.8 | 176.7 | 0 | 0 | 0 | 0 | 110.2 | I4 V6 L155 V167 V170 A185 L190 N330 V331 Y332 | I4-V188 CarbonylContact O-C 3.55Å; I4-V188 WeakPolarHBondContact O-CA 3.26Å; V6-V188 HydrophobicContact CG2-CG1 4.06Å; L155-V188 HydrophobicContact CD2-CG1 3.92Å; V167-V188 HydrophobicContact CB-CG2 4.4Å; V167-V188 HydrophobicContact CG1-CB 4.07Å; V167-V188 HydrophobicContact CG1-CG2 3.75Å; V167-V188 HydrophobicContact CG2-CB 4.39Å; V167-V188 HydrophobicContact CG2-CG2 3.72Å; V170-V188 HydrophobicContact CG2-CG1 4.14Å; V170-V188 HydrophobicContact CG2-CG2 3.59Å; A185-V188 HydrophobicContact CB-CG2 3.57Å; V188-L190 HydrophobicContact CG1-CD2 3.93Å; V188-N330 PolarHBondContact N-O 3.33Å; V188-V331 CarbonylContact O-C 3.53Å; V188-V331 VanDerWaalsContact O-CA 3.31Å; V188-V331 WeakPolarHBondContact O-CA 3.36Å; V188-Y332 PolarHBondContact O-N 3.03Å |
| 189 | I | 98.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 119.9 | 178.9 | -55.9 | 162.5 | 0 | 0 | 0 | 108.2 | V3 I4 I5 V6 T15 L19 L187 T191 Y332 L352 I356 | V3-I189 HydrophobicContact CG1-CD1 3.71Å; I4-I189 PolarHBondContact O-N 3.49Å; I5-I189 CarbonylContact C-O 3.48Å; I5-I189 WeakPolarHBondContact CA-O 3.39Å; I5-I189 HydrophobicContact CD1-CD1 4.39Å; I5-I189 HydrophobicContact CG1-CB 4.12Å; I5-I189 HydrophobicContact CG1-CD1 3.77Å; I5-I189 HydrophobicContact CG1-CG1 4.46Å; V6-I189 PolarHBondContact N-O 2.68Å; T15-I189 HydrophobicContact CG2-CD1 3.91Å; T15-I189 HydrophobicContact CG2-CG2 4.47Å; L19-I189 HydrophobicContact CD1-CD1 3.86Å; L187-I189 HydrophobicContact CD2-CD1 3.83Å; L187-I189 HydrophobicContact CD2-CG1 3.5Å; L187-I189 VanDerWaalsContact CD2-CG1 3.5Å; I189-T191 HydrophobicContact CG2-CG2 4.03Å; I189-Y332 CarbonylContact C-O 3.48Å; I189-Y332 WeakPolarHBondContact CA-O 3.29Å; I189-L352 HydrophobicContact CG2-CD2 3.56Å; I189-I356 HydrophobicContact CD1-CD1 3.6Å; I189-I356 HydrophobicContact CG1-CD1 3.93Å |
| 190 | L | 98.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 109.7 | 179 | -56 | -178.1 | 0 | 0 | 0 | 109.9 | V6 L155 V188 A199 W202 L203 I325 V331 Y332 I333 A334 | V6-L190 HydrophobicContact CB-CD2 4.12Å; V6-L190 HydrophobicContact CG2-CD2 4.11Å; L155-L190 HydrophobicContact CD1-CD2 4.42Å; V188-L190 HydrophobicContact CG1-CD2 3.93Å; L190-A199 HydrophobicContact CD1-CB 4.2Å; L190-W202 HydrophobicContact CD2-CZ3 4.43Å; L190-L203 HydrophobicContact CD1-CD2 4.27Å; L190-I325 HydrophobicContact CD1-CD1 3.91Å; L190-V331 HydrophobicContact CD1-CG1 4.35Å; L190-V331 HydrophobicContact CG-CG1 4.35Å; L190-Y332 PolarHBondContact N-O 2.92Å; L190-I333 HydrophobicContact CB-CB 4.31Å; L190-I333 HydrophobicContact CB-CG1 4.21Å; L190-I333 VanDerWaalsContact O-CA 3.31Å; L190-I333 WeakPolarHBondContact O-CA 3.39Å; L190-A334 PolarHBondContact O-N 3.19Å |
| 191 | T | 98.7 | Very high | 97.4 | Very high | 7 Ų | 7 | 30.8 Ų | 30.8 | 4% | 0.043 | 17% | 0.17 | C | C | . | . | trans | -122.4 | 41.7 | 176.6 | 48.9 | 0 | 0 | 0 | 0 | 110.9 | I5 V6 G7 M11 G12 I189 G193 A334 | I5-T191 HydrophobicContact CG2-CG2 4.5Å; I5-T191 WeakPolarHBondContact CG2-OG1 3.45Å; V6-T191 CarbonylContact O-C 3.55Å; V6-T191 WeakPolarHBondContact O-CA 3.19Å; V6-T191 PolarHBondContact O-N 2.98Å; V6-T191 PolarHBondContact O-OG1 3.43Å; G7-T191 PolarHBondContact O-OG1 2.84Å; M11-T191 HydrophobicContact CB-CG2 3.72Å; G12-T191 WeakPolarHBondContact CA-OG1 3.19Å; I189-T191 HydrophobicContact CG2-CG2 4.03Å; T191-G193 VanDerWaalsContact C-N 3.26Å; T191-G193 PolarHBondContact O-N 2.94Å; T191-A334 HydrophobicContact CG2-CB 4.16Å | ||
| 192 | T | 97.7 | Very high | 97.5 | Very high | 17 Ų | 17 | 29 Ų | 29 | 10% | 0.104 | 16% | 0.159 | C | C | . | . | trans | -82.4 | 7.2 | -168.5 | 51 | 0 | 0 | 0 | 0 | 114.6 | V6 W195 S196 A199 | V6-T192 HydrophobicContact CB-CG2 4.31Å; V6-T192 HydrophobicContact CG1-CG2 3.68Å; T192-W195 WeakPolarHBondContact O-CB 3.28Å; T192-W195 PolarHBondContact O-N 3.43Å; T192-S196 VanDerWaalsContact OG1-CA 3.29Å; T192-S196 WeakPolarHBondContact OG1-CA 3.44Å; T192-S196 PolarHBondContact OG1-N 2.95Å; T192-S196 PolarHBondContact OG1-OG 3.19Å; T192-A199 HydrophobicContact CG2-CB 3.98Å; T192-A199 WeakPolarHBondContact OG1-CB 3.45Å | ||
| 193 | G | 97 | Very high | 97.6 | Very high | 18 Ų | 18 | 26.8 Ų | 26.8 | 19% | 0.186 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | 52.7 | -129.3 | 173 | 0 | 0 | 0 | 0 | 0 | 112.2 | T191 W195 S196 T335 | T191-G193 VanDerWaalsContact C-N 3.26Å; T191-G193 PolarHBondContact O-N 2.94Å; G193-W195 PolarHBondContact O-N 3.26Å; G193-W195 VanDerWaalsContact O-N 3.09Å; G193-S196 WeakPolarHBondContact O-CB 3.31Å; G193-S196 PolarHBondContact O-N 3.18Å; G193-S196 PolarHBondContact O-OG 2.89Å; G193-T335 WeakPolarHBondContact CA-OG1 3.25Å; G193-T335 PolarHBondContact O-OG1 2.85Å |
| 194 | P | 96.6 | Very high | 97.4 | Very high | 10 Ų | 10 | 27.6 Ų | 27.6 | 7% | 0.065 | 15% | 0.152 | C | C | . | . | G | 310 helix | trans | -56.4 | -25.1 | 179.2 | -27.3 | 36.6 | 0 | 0 | 0 | 114.8 | S196 V271 Y311 P313 | P194-S196 PolarHBondContact O-N 3.36Å; P194-V271 HydrophobicContact CB-CG1 3.95Å; P194-V271 HydrophobicContact CB-CG2 4.23Å; P194-Y311 WeakPolarHBondContact CG-O 3.38Å; P194-P313 HydrophobicContact CG-CB 4.39Å |
| 195 | W | 97.1 | Very high | 97.2 | Very high | 49 Ų | 49 | 29.4 Ų | 29.4 | 19% | 0.186 | 17% | 0.167 | C | C | . | . | G | 310 helix | trans | -85 | 10.9 | 179 | -59.9 | -85.4 | 0 | 0 | 0 | 113.4 | A37 T192 G193 K197 E198 A199 V271 P272 K275 | A37-W195 HydrophobicContact CB-CH2 3.69Å; A37-W195 HydrophobicContact CB-CZ3 3.78Å; T192-W195 WeakPolarHBondContact O-CB 3.28Å; T192-W195 PolarHBondContact O-N 3.43Å; G193-W195 PolarHBondContact O-N 3.26Å; G193-W195 VanDerWaalsContact O-N 3.09Å; W195-K197 PolarHBondContact O-N 3.4Å; W195-E198 PolarHBondContact O-N 3.02Å; W195-A199 PolarHBondContact O-N 2.97Å; W195-A199 VanDerWaalsContact O-N 3.12Å; W195-V271 HydrophobicContact CG-CG1 4.48Å; W195-P272 PolarHBondContact NE1-O 2.87Å; W195-K275 HydrophobicContact CH2-CB 3.86Å; W195-K275 HydrophobicContact CH2-CG 4.21Å; W195-K275 HydrophobicContact CZ2-CB 3.88Å |
| 196 | S | 97.9 | Very high | 96.9 | Very high | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.007 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.2 | -29.2 | 177.5 | -59.8 | 0 | 0 | 0 | 0 | 112.7 | T192 G193 P194 E198 A199 V200 T335 | T192-S196 VanDerWaalsContact OG1-CA 3.29Å; T192-S196 WeakPolarHBondContact OG1-CA 3.44Å; T192-S196 PolarHBondContact OG1-N 2.95Å; T192-S196 PolarHBondContact OG1-OG 3.19Å; G193-S196 WeakPolarHBondContact O-CB 3.31Å; G193-S196 PolarHBondContact O-N 3.18Å; G193-S196 PolarHBondContact O-OG 2.89Å; P194-S196 PolarHBondContact O-N 3.36Å; S196-E198 PolarHBondContact O-N 2.95Å; S196-A199 PolarHBondContact O-N 3.39Å; S196-V200 WeakPolarHBondContact O-CB 3.37Å; S196-V200 WeakPolarHBondContact O-CG2 3.38Å; S196-V200 PolarHBondContact O-N 2.81Å; S196-T335 VanDerWaalsContact OG-CB 3.3Å; S196-T335 WeakPolarHBondContact OG-CB 3.26Å; S196-T335 WeakPolarHBondContact OG-CG2 3.3Å; S196-T335 PolarHBondContact OG-OG1 3.15Å |
| 197 | K | 97 | Very high | 96.8 | Very high | 76 Ų | 76 | 30.5 Ų | 30.5 | 33% | 0.33 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -58.1 | -45.6 | 172.5 | 180 | 164.5 | -172.1 | 165.8 | 0 | 112.4 | W195 N201 S210 N211 F213 | W195-K197 PolarHBondContact O-N 3.4Å; K197-N201 PolarHBondContact O-N 2.98Å; K197-N201 PolarHBondContact O-ND2 3.44Å; K197-S210 WeakPolarHBondContact CG-O 3.46Å; K197-N211 PolarHBondContact NZ-OD1 2.9Å; K197-F213 HydrophobicContact CB-CB 4.08Å |
| 198 | E | 96.2 | Very high | 96.8 | Very high | 53 Ų | 53 | 31.2 Ų | 31.2 | 25% | 0.248 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -66.9 | -44.8 | 176.9 | -175.2 | 174.9 | 168.5 | 0 | 0 | 110.6 | R151 W195 S196 V200 N201 W202 | R151-E198 IonicContact NH2-OE1 3.7Å; R151-E198 PolarHBondContact NH2-OE1 2.95Å; W195-E198 PolarHBondContact O-N 3.02Å; S196-E198 PolarHBondContact O-N 2.95Å; E198-V200 VanDerWaalsContact C-N 3.31Å; E198-V200 PolarHBondContact O-N 3.45Å; E198-N201 WeakPolarHBondContact O-CB 3.44Å; E198-N201 PolarHBondContact O-N 3.39Å; E198-W202 HydrophobicContact CG-CZ2 4.09Å |
| 199 | A | 97.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.8 | -36.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | L190 T192 W195 S196 N201 W202 | L190-A199 HydrophobicContact CD1-CB 4.2Å; T192-A199 HydrophobicContact CG2-CB 3.98Å; T192-A199 WeakPolarHBondContact OG1-CB 3.45Å; W195-A199 PolarHBondContact O-N 2.97Å; W195-A199 VanDerWaalsContact O-N 3.12Å; S196-A199 PolarHBondContact O-N 3.39Å; A199-N201 VanDerWaalsContact C-N 3.3Å; A199-N201 PolarHBondContact O-N 3.16Å; A199-W202 VanDerWaalsContact CA-CE3 3.5Å; A199-W202 HydrophobicContact CB-CD2 4.47Å; A199-W202 HydrophobicContact CB-CE3 3.87Å; A199-W202 HydrophobicContact CB-CH2 4.11Å; A199-W202 HydrophobicContact CB-CZ3 3.66Å; A199-W202 WeakPolarHBondContact O-CB 3.05Å; A199-W202 PolarHBondContact O-N 2.93Å |
| 200 | V | 97.7 | Very high | 96.5 | Very high | 5 Ų | 5 | 34.1 Ų | 34.1 | 3% | 0.03 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -67.6 | -30.6 | 175.6 | 168.9 | 0 | 0 | 0 | 0 | 111.7 | S196 E198 W202 L203 L208 F213 I333 | S196-V200 WeakPolarHBondContact O-CB 3.37Å; S196-V200 WeakPolarHBondContact O-CG2 3.38Å; S196-V200 PolarHBondContact O-N 2.81Å; E198-V200 VanDerWaalsContact C-N 3.31Å; E198-V200 PolarHBondContact O-N 3.45Å; V200-W202 PolarHBondContact O-N 3.28Å; V200-L203 HydrophobicContact CB-CD1 4.33Å; V200-L203 HydrophobicContact CG1-CD1 4.2Å; V200-L203 HydrophobicContact CG2-CD1 4.32Å; V200-L203 WeakPolarHBondContact O-CB 3.45Å; V200-L203 WeakPolarHBondContact O-CG 3.15Å; V200-L203 PolarHBondContact O-N 2.98Å; V200-L203 VanDerWaalsContact O-N 3.13Å; V200-L208 HydrophobicContact CG1-CB 3.68Å; V200-L208 HydrophobicContact CG2-CB 4.41Å; V200-L208 HydrophobicContact CG2-CD1 4.11Å; V200-F213 HydrophobicContact CG2-CD2 3.99Å; V200-F213 HydrophobicContact CG2-CE2 3.72Å; V200-F213 HydrophobicContact CG2-CZ 4.08Å; V200-I333 HydrophobicContact CG2-CD1 4.33Å |
| 201 | N | 97 | Very high | 96.4 | Very high | 102 Ų | 102 | 38.6 Ų | 38.6 | 55% | 0.545 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69 | -12.8 | 174.8 | -68.1 | -30.5 | 0 | 0 | 0 | 113.3 | K197 E198 A199 L203 S210 | K197-N201 PolarHBondContact O-N 2.98Å; K197-N201 PolarHBondContact O-ND2 3.44Å; E198-N201 WeakPolarHBondContact O-CB 3.44Å; E198-N201 PolarHBondContact O-N 3.39Å; A199-N201 VanDerWaalsContact C-N 3.3Å; A199-N201 PolarHBondContact O-N 3.16Å; N201-L203 VanDerWaalsContact C-N 3.28Å; N201-S210 WeakPolarHBondContact OD1-CB 3.09Å; N201-S210 PolarHBondContact OD1-OG 3.15Å |
| 202 | W | 97.6 | Very high | 96.3 | Very high | 43 Ų | 43 | 41.2 Ų | 41.2 | 16% | 0.163 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -10.8 | 172.7 | -52.1 | -29.6 | 0 | 0 | 0 | 113.2 | V6 V152 I153 L155 F157 L190 E198 A199 V200 | V6-W202 HydrophobicContact CG1-CZ3 4.22Å; V152-W202 HydrophobicContact CB-CH2 3.94Å; V152-W202 HydrophobicContact CB-CZ3 4.28Å; V152-W202 HydrophobicContact CG1-CE3 4.18Å; V152-W202 HydrophobicContact CG1-CH2 3.57Å; V152-W202 HydrophobicContact CG1-CZ2 4.26Å; V152-W202 HydrophobicContact CG1-CZ3 3.52Å; I153-W202 PolarHBondContact O-NE1 3.43Å; L155-W202 HydrophobicContact CB-CB 4.4Å; L155-W202 HydrophobicContact CD1-CB 4.4Å; L155-W202 HydrophobicContact CD2-CE3 4.44Å; L155-W202 HydrophobicContact CG-CB 4.04Å; L155-W202 HydrophobicContact CG-CE3 4.16Å; F157-W202 WeakPolarHBondContact CE2-O 3.35Å; L190-W202 HydrophobicContact CD2-CZ3 4.43Å; E198-W202 HydrophobicContact CG-CZ2 4.09Å; A199-W202 VanDerWaalsContact CA-CE3 3.5Å; A199-W202 HydrophobicContact CB-CD2 4.47Å; A199-W202 HydrophobicContact CB-CE3 3.87Å; A199-W202 HydrophobicContact CB-CH2 4.11Å; A199-W202 HydrophobicContact CB-CZ3 3.66Å; A199-W202 WeakPolarHBondContact O-CB 3.05Å; A199-W202 PolarHBondContact O-N 2.93Å; V200-W202 PolarHBondContact O-N 3.28Å |
| 203 | L | 96.9 | Very high | 96.3 | Very high | 18 Ų | 18 | 40.5 Ų | 40.5 | 9% | 0.094 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -83.6 | 154.3 | -176.2 | -55.1 | 170.2 | 0 | 0 | 0 | 111 | L155 F157 L190 V200 N201 C207 L208 I325 L328 V331 | L155-L203 HydrophobicContact CD1-CD2 4Å; F157-L203 HydrophobicContact CZ-CD2 4.43Å; L190-L203 HydrophobicContact CD1-CD2 4.27Å; V200-L203 HydrophobicContact CB-CD1 4.33Å; V200-L203 HydrophobicContact CG1-CD1 4.2Å; V200-L203 HydrophobicContact CG2-CD1 4.32Å; V200-L203 WeakPolarHBondContact O-CB 3.45Å; V200-L203 WeakPolarHBondContact O-CG 3.15Å; V200-L203 PolarHBondContact O-N 2.98Å; V200-L203 VanDerWaalsContact O-N 3.13Å; N201-L203 VanDerWaalsContact C-N 3.28Å; L203-C207 HydrophobicContact CB-CB 4.04Å; L203-C207 HydrophobicContact CD1-CB 4.28Å; L203-L208 HydrophobicContact CD1-CB 4.35Å; L203-L208 HydrophobicContact CD1-CD1 4.13Å; L203-L208 HydrophobicContact CD1-CG 4.47Å; L203-I325 HydrophobicContact CD1-CD1 3.69Å; L203-I325 HydrophobicContact CD1-CG2 3.98Å; L203-I325 HydrophobicContact CD2-CD1 3.85Å; L203-I325 HydrophobicContact CG-CD1 4.43Å; L203-L328 HydrophobicContact CD2-CD1 3.77Å; L203-V331 HydrophobicContact CD2-CG1 4.24Å |
| 204 | P | 94.8 | Very high | 96.3 | Very high | 42 Ų | 42 | 43.5 Ų | 43.5 | 27% | 0.273 | 24% | 0.244 | S | C | . | . | P | Polyproline II helix | trans | -54.1 | 148.7 | 166.7 | -25.1 | 35.9 | 0 | 0 | 0 | 111.8 | F157 P165 G206 C207 L328 | F157-P204 HydrophobicContact CD1-CG 4.29Å; F157-P204 HydrophobicContact CD2-CG 4.43Å; F157-P204 HydrophobicContact CE1-CG 4.2Å; F157-P204 HydrophobicContact CE2-CG 4.33Å; F157-P204 HydrophobicContact CG-CG 4.42Å; F157-P204 HydrophobicContact CZ-CG 4.23Å; P165-P204 HydrophobicContact CB-CG 4.35Å; P165-P204 HydrophobicContact CG-CB 4.41Å; P165-P204 HydrophobicContact CG-CG 3.97Å; P204-G206 PolarHBondContact O-N 3.32Å; P204-C207 WeakPolarHBondContact O-CB 3.28Å; P204-C207 PolarHBondContact O-N 3.14Å; P204-C207 PolarHBondContact O-SG 3.37Å; P204-L328 HydrophobicContact CG-CD2 4.3Å |
| 205 | S | 92 | Very high | 96.2 | Very high | 130 Ų | 130 | 43.7 Ų | 43.7 | 91% | 0.909 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | 139.7 | 179.4 | -54.8 | 0 | 0 | 0 | 0 | 111.7 | C207 | S205-C207 VanDerWaalsContact C-N 3.34Š|
| 206 | G | 91.3 | Very high | 96.2 | Very high | 59 Ų | 59 | 48.1 Ų | 48.1 | 61% | 0.608 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.7 | -4.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | P204 | P204-G206 PolarHBondContact O-N 3.32Š|
| 207 | C | 95.3 | Very high | 96.2 | Very high | 8 Ų | 8 | 48.9 Ų | 48.9 | 5% | 0.054 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -67.9 | -51.4 | 174.6 | -74.1 | 0 | 0 | 0 | 0 | 112.4 | L203 P204 S205 I325 P326 | L203-C207 HydrophobicContact CB-CB 4.04Å; L203-C207 HydrophobicContact CD1-CB 4.28Å; P204-C207 WeakPolarHBondContact O-CB 3.28Å; P204-C207 PolarHBondContact O-N 3.14Å; P204-C207 PolarHBondContact O-SG 3.37Å; S205-C207 VanDerWaalsContact C-N 3.34Å; C207-I325 HydrophobicContact CB-CG2 3.8Å; C207-P326 WeakPolarHBondContact CB-O 3.29Å; C207-P326 WeakPolarHBondContact O-CD 3.2Å; C207-P326 PolarHBondContact SG-O 2.87Å |
| 208 | L | 97 | Very high | 96.1 | Very high | 18 Ų | 18 | 46.7 Ų | 46.7 | 9% | 0.094 | 26% | 0.263 | C | S | . | . | trans | -151.3 | 148.9 | 179.2 | -72.4 | 176.2 | 0 | 0 | 0 | 110.1 | V200 L203 F213 I325 P326 I333 P397 L400 | V200-L208 HydrophobicContact CG1-CB 3.68Å; V200-L208 HydrophobicContact CG2-CB 4.41Å; V200-L208 HydrophobicContact CG2-CD1 4.11Å; L203-L208 HydrophobicContact CD1-CB 4.35Å; L203-L208 HydrophobicContact CD1-CD1 4.13Å; L203-L208 HydrophobicContact CD1-CG 4.47Å; L208-F213 HydrophobicContact CD1-CZ 4.31Å; L208-I325 HydrophobicContact CD1-CD1 4.19Å; L208-I325 HydrophobicContact CD1-CG1 4.21Å; L208-I325 HydrophobicContact CD1-CG2 4.19Å; L208-I325 HydrophobicContact CG-CG2 4.2Å; L208-P326 HydrophobicContact CD2-CG 4.43Å; L208-I333 HydrophobicContact CD1-CD1 4.39Å; L208-P397 HydrophobicContact CD2-CB 4.04Å; L208-P397 WeakPolarHBondContact CD2-O 3.19Å; L208-L400 HydrophobicContact CD2-CB 3.89Å | ||
| 209 | N | 96.6 | Very high | 96.2 | Very high | 42 Ų | 42 | 44.2 Ų | 44.2 | 23% | 0.225 | 25% | 0.251 | C | S | . | . | trans | -87.2 | 110 | 174.4 | -176.1 | -16 | 0 | 0 | 0 | 110.7 | N211 K212 L400 K402 | N209-N211 PolarHBondContact O-N 3.32Å; N209-N211 WeakPolarHBondContact OD1-CB 3.43Å; N209-N211 PolarHBondContact OD1-N 2.93Å; N209-K212 HydrophobicContact CB-CG 3.84Å; N209-K212 WeakPolarHBondContact O-CB 3.04Å; N209-K212 WeakPolarHBondContact O-CG 3.17Å; N209-K212 PolarHBondContact O-N 2.84Å; N209-L400 PolarHBondContact N-O 2.84Å; N209-L400 VanDerWaalsContact N-O 3.1Å; N209-K402 PolarHBondContact ND2-OXT 3.47Å | ||
| 210 | S | 96.2 | Very high | 96.2 | Very high | 19 Ų | 19 | 44.5 Ų | 44.5 | 13% | 0.133 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -64.1 | -22.1 | -177.8 | 67.9 | 0 | 0 | 0 | 0 | 113.7 | K197 N201 K212 F213 | K197-S210 WeakPolarHBondContact CG-O 3.46Å; N201-S210 WeakPolarHBondContact OD1-CB 3.09Å; N201-S210 PolarHBondContact OD1-OG 3.15Å; S210-K212 PolarHBondContact O-N 3.43Å; S210-F213 PolarHBondContact O-N 2.89Å |
| 211 | N | 96.1 | Very high | 96.3 | Very high | 94 Ų | 94 | 44.3 Ų | 44.3 | 50% | 0.503 | 25% | 0.252 | S | S | . | . | G | 310 helix | trans | -74 | 0.9 | 173.6 | -66.9 | -41.1 | 0 | 0 | 0 | 113.3 | K197 N209 H214 | K197-N211 PolarHBondContact NZ-OD1 2.9Å; N209-N211 PolarHBondContact O-N 3.32Å; N209-N211 WeakPolarHBondContact OD1-CB 3.43Å; N209-N211 PolarHBondContact OD1-N 2.93Å; N211-H214 PolarHBondContact O-CE1 3.3Å; N211-H214 PolarHBondContact O-NE2 2.77Å |
| 212 | K | 96.9 | Very high | 96.3 | Very high | 61 Ų | 61 | 40.7 Ų | 40.7 | 27% | 0.265 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -87 | -9.2 | 170.3 | -56.4 | -68.4 | -177.8 | 170 | 0 | 112.9 | N209 S210 V315 S316 L400 K402 | N209-K212 HydrophobicContact CB-CG 3.84Å; N209-K212 WeakPolarHBondContact O-CB 3.04Å; N209-K212 WeakPolarHBondContact O-CG 3.17Å; N209-K212 PolarHBondContact O-N 2.84Å; S210-K212 PolarHBondContact O-N 3.43Å; K212-V315 CarbonylContact O-C 3.59Å; K212-V315 VanDerWaalsContact O-CA 3.22Å; K212-V315 WeakPolarHBondContact O-CA 3.23Å; K212-S316 VanDerWaalsContact CA-OG 3.27Å; K212-S316 WeakPolarHBondContact CA-OG 3.43Å; K212-S316 PolarHBondContact O-N 2.96Å; K212-S316 PolarHBondContact O-OG 3.41Å; K212-L400 HydrophobicContact CB-CD1 4.29Å; K212-L400 HydrophobicContact CB-CD2 4.07Å; K212-L400 HydrophobicContact CD-CD2 4.36Å; K212-L400 HydrophobicContact CG-CD2 4.05Å; K212-K402 WeakPolarHBondContact CE-O 3.18Å; K212-K402 PolarHBondContact NZ-O 3.4Å |
| 213 | F | 97.5 | Very high | 96.3 | Very high | 2 Ų | 2 | 38.6 Ų | 38.6 | 1% | 0.009 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 127.4 | -174.5 | -61 | -93.4 | 0 | 0 | 0 | 110.1 | K197 V200 L208 S210 V315 V321 I333 T335 L400 | K197-F213 HydrophobicContact CB-CB 4.08Å; V200-F213 HydrophobicContact CG2-CD2 3.99Å; V200-F213 HydrophobicContact CG2-CE2 3.72Å; V200-F213 HydrophobicContact CG2-CZ 4.08Å; L208-F213 HydrophobicContact CD1-CZ 4.31Å; S210-F213 PolarHBondContact O-N 2.89Å; F213-V315 HydrophobicContact CD1-CG2 4.1Å; F213-V315 HydrophobicContact CE1-CG2 4.1Å; F213-V321 HydrophobicContact CE1-CB 4.46Å; F213-V321 HydrophobicContact CE1-CG2 4.15Å; F213-V321 HydrophobicContact CZ-CG2 4.35Å; F213-I333 HydrophobicContact CE1-CD1 4.13Å; F213-I333 HydrophobicContact CZ-CD1 4.28Å; F213-T335 HydrophobicContact CD1-CG2 4Å; F213-T335 HydrophobicContact CE1-CG2 3.72Å; F213-L400 HydrophobicContact CE1-CD1 4.36Å; F213-L400 HydrophobicContact CE2-CD1 4.09Å; F213-L400 HydrophobicContact CZ-CD1 3.69Å |
| 214 | H | 95.9 | Very high | 96.3 | Very high | 81 Ų | 81 | 42.1 Ų | 42.1 | 38% | 0.375 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | -179.9 | -178.1 | -50.1 | -74.4 | 0 | 0 | 0 | 110.6 | N211 L314 S316 | N211-H214 PolarHBondContact O-CE1 3.3Å; N211-H214 PolarHBondContact O-NE2 2.77Å; H214-L314 PolarHBondContact N-O 3.02Å; H214-L314 PolarHBondContact O-N 3.21Å; H214-S316 PolarHBondContact NE2-OG 3.15Å |
| 215 | G | 96.1 | Very high | 96.2 | Very high | 14 Ų | 14 | 40.4 Ų | 40.4 | 14% | 0.144 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 157.3 | 167.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L312 | G215-L312 WeakPolarHBondContact CA-O 3.39Å |
| 216 | R | 96.5 | Very high | 96.2 | Very high | 143 Ų | 143 | 41.4 Ų | 41.4 | 54% | 0.54 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 125.3 | 171.4 | -176.1 | 178.4 | -175.6 | 175.4 | -0.2 | 108.6 | D267 Y311 L312 L314 | R216-D267 VanDerWaalsContact CG-O 3.3Å; R216-D267 WeakPolarHBondContact CG-O 3.17Å; R216-Y311 CarbonylContact O-C 3.54Å; R216-Y311 WeakPolarHBondContact O-CA 3.33Å; R216-L312 PolarHBondContact N-O 3.26Å; R216-L312 PolarHBondContact O-N 3.47Å; R216-L314 HydrophobicContact CB-CD1 3.66Å |
| 217 | R | 97.2 | Very high | 96.1 | Very high | 17 Ų | 17 | 42.1 Ų | 42.1 | 6% | 0.064 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 137.6 | 179.2 | -169.9 | 168.1 | 58.1 | 164.7 | 1.3 | 109.2 | G266 D267 G279 E281 A309 C310 Y311 | R217-G266 CarbonylContact O-C 3.46Å; R217-G266 WeakPolarHBondContact O-CA 3.45Å; R217-D267 WeakPolarHBondContact CB-OD1 3.42Å; R217-D267 IonicContact CZ-OD1 2.65Å; R217-D267 IonicContact CZ-OD2 3.37Å; R217-D267 PolarHBondContact N-O 3.5Å; R217-D267 IonicContact NE-OD1 2.73Å; R217-D267 PolarHBondContact NE-OD1 3.25Å; R217-D267 IonicContact NE-OD2 3.56Å; R217-D267 PolarHBondContact NE-OD2 3.43Å; R217-D267 IonicContact NH2-OD1 2.76Å; R217-D267 IonicContact NH2-OD2 3.49Å; R217-D267 PolarHBondContact NH2-OD2 2.85Å; R217-D267 PolarHBondContact O-N 3.11Å; R217-G279 PolarHBondContact NH1-O 3.46Å; R217-E281 IonicContact CZ-OE1 2.97Å; R217-E281 IonicContact NH1-OE1 3.55Å; R217-E281 PolarHBondContact NH1-OE1 3.04Å; R217-E281 IonicContact NH2-OE1 3.63Å; R217-E281 PolarHBondContact NH2-OE1 3.3Å; R217-A309 HydrophobicContact CG-CB 4.01Å; R217-C310 CarbonylContact C-O 3.59Å; R217-C310 VanDerWaalsContact CA-O 3.27Å; R217-C310 WeakPolarHBondContact CA-O 2.97Å; R217-Y311 HydrophobicContact CB-CD1 4.08Å; R217-Y311 HydrophobicContact CB-CE1 3.73Å; R217-Y311 HydrophobicContact CB-CE2 4.17Å; R217-Y311 HydrophobicContact CB-CG 4.49Å; R217-Y311 HydrophobicContact CG-CD2 4.46Å; R217-Y311 HydrophobicContact CG-CE1 4.44Å; R217-Y311 HydrophobicContact CG-CE2 3.99Å |
| 218 | A | 96.5 | Very high | 95.4 | Very high | 29 Ų | 29 | 50.4 Ų | 50.4 | 24% | 0.24 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 142.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109 | A309 C310 | A218-A309 CarbonylContact O-C 3.52Å; A218-A309 VanDerWaalsContact O-CA 3.28Å; A218-A309 WeakPolarHBondContact O-CA 3.13Å; A218-C310 PolarHBondContact N-O 3.24Å; A218-C310 PolarHBondContact O-N 2.95Å |
| 219 | H | 97.8 | Very high | 94.7 | Very high | 1 Ų | 1 | 56.4 Ų | 56.4 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 148.8 | 178.5 | -67.4 | 73.4 | 0 | 0 | 0 | 109.6 | C263 G264 L265 D267 E281 R284 L288 S308 | H219-C263 VanDerWaalsContact O-CA 3.25Å; H219-C263 WeakPolarHBondContact O-CA 3.34Å; H219-C263 VanDerWaalsContact O-CB 3.3Å; H219-C263 WeakPolarHBondContact O-CB 3.45Å; H219-G264 PolarHBondContact N-O 3.37Å; H219-G264 VanDerWaalsContact N-O 3.16Å; H219-G264 PolarHBondContact O-N 3.01Å; H219-L265 PolarHBondContact ND1-O 2.67Å; H219-D267 IonicContact CE1-OD2 3.38Å; H219-E281 PolarHBondContact NE2-N 3.42Å; H219-E281 VanDerWaalsContact NE2-N 3.19Å; H219-R284 HydrophobicContact CB-CB 4.23Å; H219-R284 WeakPolarHBondContact CE1-CD 3.23Å; H219-R284 VanDerWaalsContact ND1-CD 3.29Å; H219-R284 WeakPolarHBondContact ND1-CD 3.23Å; H219-L288 HydrophobicContact CB-CD1 4.24Å; H219-S308 WeakPolarHBondContact CA-O 3.32Å |
| 220 | S | 98.1 | Very high | 94.2 | Very high | 6 Ų | 6 | 55.6 Ų | 55.6 | 4% | 0.042 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 155.7 | 173.8 | 63.9 | 0 | 0 | 0 | 0 | 112 | Y261 V262 S308 | S220-Y261 WeakPolarHBondContact CB-OH 3.48Å; S220-V262 CarbonylContact C-O 3.48Å; S220-V262 WeakPolarHBondContact CA-O 3.22Å; S220-V262 VanDerWaalsContact CB-O 3.3Å; S220-V262 WeakPolarHBondContact CB-O 3.48Å; S220-S308 PolarHBondContact N-O 3.42Å; S220-S308 PolarHBondContact O-N 3.48Å; S220-S308 PolarHBondContact OG-OG 3Å |
| 221 | I | 98.3 | Very high | 93.8 | Very high | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 152 | 171.1 | 60.8 | 175.1 | 0 | 0 | 0 | 109.2 | L223 V262 C285 L288 K289 T306 E307 | I221-L223 HydrophobicContact CD1-CD1 4.15Å; I221-L223 HydrophobicContact CD1-CD2 4.19Å; I221-L223 HydrophobicContact CD1-CG 4.1Å; I221-L223 HydrophobicContact CG1-CG 4.49Å; I221-V262 HydrophobicContact CD1-CB 4.31Å; I221-V262 HydrophobicContact CG1-CB 3.76Å; I221-V262 HydrophobicContact CG1-CG2 4.32Å; I221-V262 PolarHBondContact N-O 3.13Å; I221-V262 PolarHBondContact O-N 2.84Å; I221-C285 HydrophobicContact CG2-CB 3.68Å; I221-L288 HydrophobicContact CD1-CB 3.91Å; I221-L288 HydrophobicContact CG1-CB 4.24Å; I221-K289 HydrophobicContact CD1-CB 3.75Å; I221-K289 HydrophobicContact CD1-CG 4.47Å; I221-T306 CarbonylContact C-O 3.47Å; I221-T306 VanDerWaalsContact CA-O 3.23Å; I221-T306 WeakPolarHBondContact CA-O 3.3Å; I221-E307 HydrophobicContact CG2-CG 4.2Å |
| 222 | I | 98.2 | Very high | 93.8 | Very high | 26 Ų | 26 | 54.6 Ų | 54.6 | 13% | 0.133 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 119.6 | 169 | -60.4 | 176.5 | 0 | 0 | 0 | 107.2 | T259 V260 Y261 I305 T306 | I222-T259 HydrophobicContact CG2-CG2 4.12Å; I222-V260 WeakPolarHBondContact CA-O 3.37Å; I222-Y261 HydrophobicContact CD1-CD2 4.44Å; I222-Y261 HydrophobicContact CG1-CD2 3.99Å; I222-I305 HydrophobicContact CB-CB 4.33Å; I222-I305 HydrophobicContact CG2-CB 4.13Å; I222-I305 HydrophobicContact CG2-CG1 4.46Å; I222-I305 PolarHBondContact O-N 3.24Å; I222-T306 PolarHBondContact N-O 3.14Å; I222-T306 PolarHBondContact O-N 3.38Å |
| 223 | L | 98.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 138.7 | 176.6 | -60.1 | -178.8 | 0 | 0 | 0 | 109.5 | I221 T259 V260 K289 V292 L299 A302 E303 T304 | I221-L223 HydrophobicContact CD1-CD1 4.15Å; I221-L223 HydrophobicContact CD1-CD2 4.19Å; I221-L223 HydrophobicContact CD1-CG 4.1Å; I221-L223 HydrophobicContact CG1-CG 4.49Å; L223-T259 CarbonylContact O-C 3.54Å; L223-T259 VanDerWaalsContact O-CA 3.26Å; L223-T259 WeakPolarHBondContact O-CA 3.14Å; L223-V260 PolarHBondContact N-O 3.47Å; L223-V260 PolarHBondContact O-N 2.71Å; L223-K289 HydrophobicContact CD2-CD 4.45Å; L223-K289 HydrophobicContact CD2-CG 4.45Å; L223-V292 HydrophobicContact CD1-CG1 3.54Å; L223-L299 HydrophobicContact CB-CD2 4.5Å; L223-L299 HydrophobicContact CD1-CB 4.46Å; L223-L299 HydrophobicContact CD1-CD1 4.27Å; L223-A302 HydrophobicContact CB-CB 4.05Å; L223-E303 CarbonylContact C-O 3.6Å; L223-E303 VanDerWaalsContact CA-O 3.32Å; L223-E303 WeakPolarHBondContact CA-O 3.11Å; L223-T304 HydrophobicContact CD2-CG2 4.36Å; L223-T304 WeakPolarHBondContact CD2-OG1 3.35Å |
| 224 | K | 96.2 | Very high | 93.6 | Very high | 92 Ų | 92 | 55.5 Ų | 55.5 | 40% | 0.4 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 121 | 171.6 | -171.8 | 170.6 | -175.2 | 174.3 | 0 | 109.6 | K226 T259 A302 E303 I305 | K224-K226 PolarHBondContact O-N 3.07Å; K224-T259 HydrophobicContact CB-CG2 4.31Å; K224-T259 HydrophobicContact CG-CG2 4.33Å; K224-A302 VanDerWaalsContact O-CA 3.29Å; K224-A302 WeakPolarHBondContact O-CA 3.09Å; K224-A302 VanDerWaalsContact O-CB 3.31Å; K224-A302 WeakPolarHBondContact O-CB 3.48Å; K224-E303 PolarHBondContact N-O 2.82Å; K224-E303 PolarHBondContact O-N 2.89Å; K224-I305 HydrophobicContact CB-CD1 3.74Å; K224-I305 HydrophobicContact CB-CG1 3.63Å; K224-I305 HydrophobicContact CD-CD1 4.1Å |
| 225 | S | 92.9 | Very high | 93.6 | Very high | 6 Ų | 6 | 54.1 Ų | 54.1 | 4% | 0.042 | 28% | 0.275 | C | S | . | . | trans | -63.2 | 134 | 176.3 | -176.8 | 0 | 0 | 0 | 0 | 109.8 | I227 S230 N258 | S225-I227 VanDerWaalsContact C-N 3.26Å; S225-I227 PolarHBondContact OG-N 2.96Å; S225-S230 PolarHBondContact OG-OG 2.93Å; S225-N258 PolarHBondContact N-O 3.19Å | ||
| 226 | K | 90.6 | Very high | 93.7 | Very high | 150 Ų | 150 | 53.5 Ų | 53.5 | 65% | 0.652 | 27% | 0.268 | S | S | * | . | trans | -84.8 | -2 | 172.2 | -66.7 | -172.2 | -176.5 | 166.9 | 0 | 112.8 | K224 D301 | K224-K226 PolarHBondContact O-N 3.07Å; K226-D301 WeakPolarHBondContact CD-O 3.47Å; K226-D301 WeakPolarHBondContact CE-O 3.35Å; K226-D301 PolarHBondContact NZ-O 3.28Å | ||
| 227 | I | 89.2 | Confident | 93.8 | Very high | 74 Ų | 74 | 46.7 Ų | 46.7 | 38% | 0.379 | 24% | 0.242 | S | C | . | . | trans | -85.1 | 118.5 | 177.5 | -53.2 | 178.4 | 0 | 0 | 0 | 107.7 | S225 N229 S230 N258 | S225-I227 VanDerWaalsContact C-N 3.26Å; S225-I227 PolarHBondContact OG-N 2.96Å; I227-N229 VanDerWaalsContact C-N 3.34Å; I227-N229 PolarHBondContact O-N 3.48Å; I227-S230 PolarHBondContact O-N 2.98Å; I227-N258 PolarHBondContact O-ND2 2.98Å | ||
| 228 | E | 80.6 | Confident | 93.8 | Very high | 182 Ų | 182 | 47.5 Ų | 47.5 | 85% | 0.85 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -46.9 | -178.6 | -172.6 | 174.1 | -170 | 0 | 0 | 111.7 | ||
| 229 | N | 83 | Confident | 93.9 | Very high | 144 Ų | 144 | 46.4 Ų | 46.4 | 77% | 0.77 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102 | 68.8 | 170.4 | -66.2 | -42.1 | 0 | 0 | 0 | 110.1 | I227 | I227-N229 VanDerWaalsContact C-N 3.34Å; I227-N229 PolarHBondContact O-N 3.48Å |
| 230 | S | 86.3 | Confident | 93.8 | Very high | 26 Ų | 26 | 49.7 Ų | 49.7 | 18% | 0.182 | 25% | 0.254 | C | S | . | . | trans | -53 | 130.1 | 179.6 | -174.4 | 0 | 0 | 0 | 0 | 110.9 | S225 I227 I232 N258 | S225-S230 PolarHBondContact OG-OG 2.93Å; I227-S230 PolarHBondContact O-N 2.98Å; S230-I232 PolarHBondContact O-N 3.13Å; S230-N258 WeakPolarHBondContact CB-OD1 3.25Å; S230-N258 PolarHBondContact OG-OD1 3.34Å | ||
| 231 | P | 88.5 | Confident | 93.7 | Very high | 70 Ų | 70 | 50 Ų | 50 | 46% | 0.455 | 25% | 0.254 | S | S | . | . | trans | -74.6 | -0.9 | 179.2 | 32.2 | -36.9 | 0 | 0 | 0 | 113 | D233 | P231-D233 PolarHBondContact O-N 3.25Š| ||
| 232 | I | 94.5 | Very high | 93.4 | Very high | 22 Ų | 22 | 54.2 Ų | 54.2 | 11% | 0.113 | 27% | 0.274 | C | S | . | . | trans | -82.1 | 112.9 | -175.7 | -55.2 | 174.4 | 0 | 0 | 0 | 108.7 | W104 S230 P254 V260 V296 L299 | W104-I232 HydrophobicContact CB-CG1 4.13Å; W104-I232 HydrophobicContact CD2-CG2 4.03Å; W104-I232 HydrophobicContact CE3-CG2 4.39Å; W104-I232 HydrophobicContact CG-CB 4.36Å; W104-I232 HydrophobicContact CG-CG1 4.33Å; W104-I232 HydrophobicContact CG-CG2 4.27Å; W104-I232 HydrophobicContact CZ2-CG2 4.46Å; S230-I232 PolarHBondContact O-N 3.13Å; I232-P254 HydrophobicContact CG2-CB 3.79Å; I232-P254 HydrophobicContact CG2-CG 3.49Å; I232-P254 VanDerWaalsContact CG2-CG 3.49Å; I232-V260 HydrophobicContact CD1-CG2 3.95Å; I232-V260 HydrophobicContact CG2-CG2 4.35Å; I232-V296 HydrophobicContact CD1-CG1 3.83Å; I232-V296 HydrophobicContact CG1-CG1 4.16Å; I232-L299 HydrophobicContact CD1-CD1 4.11Å; I232-L299 HydrophobicContact CD1-CD2 3.6Å; I232-L299 HydrophobicContact CD1-CG 3.72Å | ||
| 233 | D | 94.5 | Very high | 93 | Very high | 50 Ų | 50 | 54.9 Ų | 54.9 | 27% | 0.267 | 28% | 0.278 | S | S | . | . | trans | -85.4 | -173.9 | 175.4 | 67.2 | 26.7 | 0 | 0 | 0 | 112 | W104 P231 K235 P254 | W104-D233 PolarHBondContact NE1-OD1 3.49Å; P231-D233 PolarHBondContact O-N 3.25Å; D233-K235 PolarHBondContact O-N 3.3Å; D233-K235 VanDerWaalsContact OD1-CB 3.26Å; D233-K235 WeakPolarHBondContact OD1-CB 3.35Å; D233-K235 WeakPolarHBondContact OD1-CG 3.35Å; D233-K235 PolarHBondContact OD1-N 3.17Å; D233-K235 IonicContact OD1-NZ 3.8Å; D233-K235 IonicContact OD2-NZ 2.62Å; D233-K235 PolarHBondContact OD2-NZ 3.31Å; D233-P254 VanDerWaalsContact O-CB 3.24Å; D233-P254 WeakPolarHBondContact O-CB 3.43Å; D233-P254 VanDerWaalsContact O-CG 3.31Å; D233-P254 WeakPolarHBondContact O-CG 3.39Å | ||
| 234 | A | 96.2 | Very high | 92.5 | Very high | 31 Ų | 31 | 61 Ų | 61 | 26% | 0.256 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -76.3 | 0.7 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | V83 C236 | V83-A234 HydrophobicContact CG1-CB 4.34Å; V83-A234 WeakPolarHBondContact CG1-O 3.46Å; A234-C236 PolarHBondContact O-N 3.07Å |
| 235 | K | 97.3 | Very high | 92 | Very high | 53 Ų | 53 | 63.8 Ų | 63.8 | 23% | 0.23 | 34% | 0.335 | C | S | . | . | trans | -63.7 | 135.5 | -176 | -67.2 | 174.2 | -179.9 | 69.8 | 0 | 110.8 | N84 Y86 P102 W104 D233 P254 | N84-K235 HydrophobicContact CB-CG 4.31Å; N84-K235 CarbonylContact O-C 3.26Å; N84-K235 VanDerWaalsContact O-CA 3.3Å; N84-K235 WeakPolarHBondContact O-CA 3.42Å; Y86-K235 HydrophobicContact CD2-CB 4.29Å; Y86-K235 HydrophobicContact CD2-CD 4.32Å; Y86-K235 HydrophobicContact CD2-CG 4.45Å; Y86-K235 HydrophobicContact CE2-CB 4.18Å; Y86-K235 HydrophobicContact CE2-CD 3.56Å; Y86-K235 HydrophobicContact CE2-CG 3.84Å; P102-K235 HydrophobicContact CB-CD 3.83Å; P102-K235 HydrophobicContact CG-CB 4.19Å; P102-K235 HydrophobicContact CG-CD 3.79Å; W104-K235 HydrophobicContact CZ2-CB 4.11Å; W104-K235 VanDerWaalsContact CZ2-O 3.29Å; W104-K235 WeakPolarHBondContact CZ2-O 3.06Å; D233-K235 PolarHBondContact O-N 3.3Å; D233-K235 VanDerWaalsContact OD1-CB 3.26Å; D233-K235 WeakPolarHBondContact OD1-CB 3.35Å; D233-K235 WeakPolarHBondContact OD1-CG 3.35Å; D233-K235 PolarHBondContact OD1-N 3.17Å; D233-K235 IonicContact OD1-NZ 3.8Å; D233-K235 IonicContact OD2-NZ 2.62Å; D233-K235 PolarHBondContact OD2-NZ 3.31Å; K235-P254 VanDerWaalsContact O-CD 3.23Å; K235-P254 WeakPolarHBondContact O-CD 3.41Å; K235-P254 WeakPolarHBondContact O-CG 3.17Å | ||
| 236 | C | 98 | Very high | 91.8 | Very high | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 144.5 | 176.2 | -71.9 | 0 | 0 | 0 | 0 | 110.5 | F45 N84 T85 Y86 A234 V252 Y253 | F45-C236 HydrophobicContact CD2-CB 4.41Å; F45-C236 HydrophobicContact CE2-CB 4.39Å; N84-C236 PolarHBondContact O-N 2.95Å; T85-C236 WeakPolarHBondContact CA-O 3.43Å; T85-C236 HydrophobicContact CG2-CB 4.12Å; Y86-C236 PolarHBondContact N-O 2.97Å; A234-C236 PolarHBondContact O-N 3.07Å; C236-V252 WeakPolarHBondContact CA-O 3.06Å; C236-Y253 HydrophobicContact CB-CD1 3.77Å; C236-Y253 HydrophobicContact CB-CE1 4.16Å |
| 237 | L | 97.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 131.9 | 178.8 | -60 | 178.7 | 0 | 0 | 0 | 111.6 | I88 P102 W104 V105 M239 E251 V252 | I88-L237 HydrophobicContact CG2-CB 4.35Å; I88-L237 HydrophobicContact CG2-CD1 4.49Å; I88-L237 HydrophobicContact CG2-CD2 4.08Å; P102-L237 HydrophobicContact CG-CD2 3.76Å; W104-L237 HydrophobicContact CH2-CD1 3.32Å; W104-L237 HydrophobicContact CH2-CD2 4.42Å; W104-L237 HydrophobicContact CH2-CG 3.57Å; W104-L237 HydrophobicContact CZ2-CD1 4.32Å; W104-L237 HydrophobicContact CZ2-CG 4.29Å; W104-L237 HydrophobicContact CZ3-CD1 3.47Å; W104-L237 VanDerWaalsContact CZ3-CD1 3.47Å; W104-L237 HydrophobicContact CZ3-CG 4.25Å; V105-L237 HydrophobicContact CG2-CD1 3.73Å; L237-M239 HydrophobicContact CB-CG 4.03Å; L237-E251 CarbonylContact O-C 3.59Å; L237-E251 WeakPolarHBondContact O-CA 2.9Å; L237-V252 HydrophobicContact CB-CB 4.14Å; L237-V252 PolarHBondContact N-O 2.89Å; L237-V252 PolarHBondContact O-N 2.93Å |
| 238 | F | 97.8 | Very high | 92.2 | Very high | 34 Ų | 34 | 59.4 Ų | 59.4 | 15% | 0.149 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 105.3 | 161.4 | -74.9 | -102.5 | 0 | 0 | 0 | 106.7 | F45 W50 T85 Y86 S87 I88 I115 E251 Y253 | F45-F238 HydrophobicContact CD1-CE2 4.12Å; F45-F238 AromaticContact CD1-CZ 3.69Å; F45-F238 HydrophobicContact CD1-CZ 3.69Å; F45-F238 HydrophobicContact CD2-CE2 4.37Å; F45-F238 AromaticContact CE1-CE2 3.75Å; F45-F238 HydrophobicContact CE1-CE2 3.75Å; F45-F238 AromaticContact CE1-CZ 3.55Å; F45-F238 HydrophobicContact CE1-CZ 3.55Å; F45-F238 HydrophobicContact CE2-CE2 4.06Å; F45-F238 HydrophobicContact CG-CE2 4.4Å; F45-F238 HydrophobicContact CG-CZ 4.25Å; F45-F238 AromaticContact CZ-CE2 3.72Å; F45-F238 HydrophobicContact CZ-CE2 3.72Å; F45-F238 HydrophobicContact CZ-CZ 4.04Å; W50-F238 HydrophobicContact CH2-CD1 4.36Å; W50-F238 AromaticContact CH2-CD2 3.67Å; W50-F238 HydrophobicContact CH2-CD2 3.67Å; W50-F238 HydrophobicContact CH2-CE1 4.11Å; W50-F238 AromaticContact CH2-CE2 3.39Å; W50-F238 HydrophobicContact CH2-CE2 3.39Å; W50-F238 HydrophobicContact CH2-CG 4.15Å; W50-F238 AromaticContact CH2-CZ 3.62Å; W50-F238 HydrophobicContact CH2-CZ 3.62Å; W50-F238 HydrophobicContact CZ3-CD1 4.1Å; W50-F238 HydrophobicContact CZ3-CD2 4.19Å; W50-F238 AromaticContact CZ3-CE1 3.63Å; W50-F238 HydrophobicContact CZ3-CE1 3.63Å; W50-F238 AromaticContact CZ3-CE2 3.74Å; W50-F238 HydrophobicContact CZ3-CE2 3.74Å; W50-F238 HydrophobicContact CZ3-CG 4.36Å; W50-F238 AromaticContact CZ3-CZ 3.42Å; W50-F238 HydrophobicContact CZ3-CZ 3.42Å; W50-F238 VanDerWaalsContact CZ3-CZ 3.42Å; T85-F238 HydrophobicContact CG2-CD2 3.54Å; T85-F238 HydrophobicContact CG2-CE2 3.56Å; Y86-F238 PolarHBondContact O-N 3.16Å; S87-F238 WeakPolarHBondContact CA-O 3.4Å; I88-F238 PolarHBondContact N-O 3.07Å; I115-F238 HydrophobicContact CD1-CB 4.33Å; I115-F238 HydrophobicContact CD1-CD2 4.22Å; I115-F238 HydrophobicContact CD1-CG 4.38Å; F238-E251 HydrophobicContact CD1-CG 3.78Å; F238-E251 HydrophobicContact CE1-CG 3.78Å; F238-E251 WeakPolarHBondContact CE1-OE1 3.4Å; F238-E251 HydrophobicContact CG-CG 4.47Å; F238-E251 HydrophobicContact CZ-CG 4.47Å; F238-Y253 AromaticContact CE2-CE1 3.94Å; F238-Y253 HydrophobicContact CE2-CE1 3.94Å; F238-Y253 HydrophobicContact CZ-CE1 4.17Å; F238-Y253 WeakPolarHBondContact CZ-OH 3.19Å |
| 239 | M | 97.2 | Very high | 92.9 | Very high | 6 Ų | 6 | 54.6 Ų | 54.6 | 3% | 0.03 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 145.2 | -171.7 | -59.9 | 169.9 | 45.8 | 0 | 0 | 110.7 | I88 L90 L237 Y241 S249 P250 V252 I291 V295 | I88-M239 HydrophobicContact CG2-CB 4.33Å; I88-M239 HydrophobicContact CG2-CG 3.78Å; I88-M239 CarbonylContact O-C 3.58Å; I88-M239 WeakPolarHBondContact O-CA 3.36Å; L90-M239 HydrophobicContact CD1-CE 3.96Å; L90-M239 HydrophobicContact CD2-CE 4.08Å; L90-M239 HydrophobicContact CG-CE 4.38Å; L237-M239 HydrophobicContact CB-CG 4.03Å; M239-Y241 HydrophobicContact CE-CD2 4.33Å; M239-S249 CarbonylContact O-C 3.58Å; M239-S249 WeakPolarHBondContact O-CA 3.36Å; M239-S249 VanDerWaalsContact O-CB 3.23Å; M239-S249 WeakPolarHBondContact O-CB 3.3Å; M239-P250 HydrophobicContact CB-CG 4.04Å; M239-P250 VanDerWaalsContact CB-O 3.3Å; M239-P250 WeakPolarHBondContact CB-O 3.14Å; M239-P250 HydrophobicContact CE-CG 3.9Å; M239-P250 PolarHBondContact N-O 3.27Å; M239-P250 HydrophobicContact SD-CG 4.07Å; M239-V252 HydrophobicContact SD-CG2 3.57Å; M239-V252 VanDerWaalsContact SD-CG2 3.57Å; M239-I291 HydrophobicContact CE-CG2 3.7Å; M239-V295 HydrophobicContact CE-CB 4.42Å; M239-V295 HydrophobicContact CE-CG1 4.39Å; M239-V295 HydrophobicContact CE-CG2 3.83Å |
| 240 | D | 96.5 | Very high | 93.6 | Very high | 70 Ų | 70 | 47.9 Ų | 47.9 | 37% | 0.374 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 95.3 | 156.5 | 174.7 | 29.3 | 0 | 0 | 0 | 107.3 | I88 S89 L90 | I88-D240 PolarHBondContact O-N 2.77Å; S89-D240 CarbonylContact C-O 3.55Å; S89-D240 WeakPolarHBondContact CA-O 3.49Å; S89-D240 PolarHBondContact OG-OD2 2.68Å; L90-D240 PolarHBondContact N-O 2.96Å |
| 241 | Y | 95.7 | Very high | 94.2 | Very high | 13 Ų | 13 | 49.5 Ų | 49.5 | 5% | 0.051 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 130.5 | -176.5 | 177.7 | -82.3 | 0 | 0 | 0 | 110.1 | L90 P92 M239 N243 F246 S247 C248 I291 V295 | L90-Y241 HydrophobicContact CD1-CD2 3.4Å; L90-Y241 HydrophobicContact CD1-CE2 4.16Å; L90-Y241 HydrophobicContact CD1-CG 4.23Å; P92-Y241 HydrophobicContact CG-CE2 4.15Å; P92-Y241 WeakPolarHBondContact CG-OH 3.29Å; M239-Y241 HydrophobicContact CE-CD2 4.33Å; Y241-N243 HydrophobicContact CE1-CB 4.04Å; Y241-F246 AromaticContact CD1-CE2 4Å; Y241-F246 HydrophobicContact CD1-CE2 4Å; Y241-F246 HydrophobicContact CD1-CZ 4.38Å; Y241-F246 AromaticContact CE1-CE2 3.89Å; Y241-F246 HydrophobicContact CE1-CE2 3.89Å; Y241-F246 AromaticContact CE1-CZ 3.8Å; Y241-F246 HydrophobicContact CE1-CZ 3.8Å; Y241-S247 CarbonylContact O-C 3.55Å; Y241-S247 WeakPolarHBondContact O-CA 3.4Å; Y241-C248 WeakPolarHBondContact CB-O 3.43Å; Y241-C248 PolarHBondContact N-O 3.4Å; Y241-C248 PolarHBondContact O-N 2.94Å; Y241-I291 HydrophobicContact CD1-CD1 4.48Å; Y241-I291 HydrophobicContact CD1-CG1 4.15Å; Y241-I291 HydrophobicContact CD1-CG2 4.44Å; Y241-I291 HydrophobicContact CD2-CB 4.44Å; Y241-I291 HydrophobicContact CD2-CG1 4.43Å; Y241-I291 HydrophobicContact CD2-CG2 3.47Å; Y241-I291 VanDerWaalsContact CD2-CG2 3.47Å; Y241-I291 HydrophobicContact CE1-CG1 4Å; Y241-I291 HydrophobicContact CE2-CB 4.39Å; Y241-I291 HydrophobicContact CE2-CG1 4.29Å; Y241-I291 HydrophobicContact CE2-CG2 3.83Å; Y241-I291 HydrophobicContact CG-CG1 4.37Å; Y241-I291 HydrophobicContact CG-CG2 3.82Å; Y241-V295 HydrophobicContact CD2-CG2 4.35Å; Y241-V295 HydrophobicContact CE2-CG2 4.41Å |
| 242 | Q | 93.4 | Very high | 94.6 | Very high | 90 Ų | 90 | 46.2 Ų | 46.2 | 42% | 0.421 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 132.2 | 176 | -170.1 | -179.3 | 23.5 | 0 | 0 | 111.7 | L90 S91 P92 | L90-Q242 PolarHBondContact O-N 2.77Å; S91-Q242 WeakPolarHBondContact CA-O 3.46Å; S91-Q242 WeakPolarHBondContact CB-O 3.48Å; P92-Q242 WeakPolarHBondContact CD-O 3.43Å |
| 243 | N | 88.9 | Confident | 94.8 | Very high | 40 Ų | 40 | 45.5 Ų | 45.5 | 21% | 0.214 | 25% | 0.254 | C | S | . | . | trans | -128.1 | -171.2 | 164.8 | 72.7 | 15.1 | 0 | 0 | 0 | 110.7 | P92 Y241 E245 F246 | P92-N243 HydrophobicContact CG-CB 3.93Å; Y241-N243 HydrophobicContact CE1-CB 4.04Å; N243-E245 PolarHBondContact O-N 3.37Å; N243-E245 WeakPolarHBondContact OD1-CA 3.33Å; N243-E245 WeakPolarHBondContact OD1-CB 3.44Å; N243-E245 PolarHBondContact OD1-N 2.89Å; N243-F246 PolarHBondContact N-O 3.46Å; N243-F246 WeakPolarHBondContact ND2-CE1 3.1Å; N243-F246 WeakPolarHBondContact ND2-CZ 3.45Å; N243-F246 WeakPolarHBondContact OD1-CD1 3.36Å; N243-F246 PolarHBondContact OD1-N 3.29Å; N243-F246 PolarHBondContact OD1-O 2.85Å | ||
| 244 | S | 87 | Confident | 94.9 | Very high | 127 Ų | 127 | 43.4 Ų | 43.4 | 89% | 0.888 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -67.6 | -18.7 | -180 | 49.5 | 0 | 0 | 0 | 0 | 114.4 | ||
| 245 | E | 86.8 | Confident | 94.9 | Very high | 152 Ų | 152 | 42.8 Ų | 42.8 | 71% | 0.71 | 23% | 0.234 | S | C | * | . | S | Bend | trans | -102.6 | -36.7 | -172.4 | -65.4 | 177.4 | -174.9 | 0 | 0 | 112.7 | N243 | N243-E245 PolarHBondContact O-N 3.37Å; N243-E245 WeakPolarHBondContact OD1-CA 3.33Å; N243-E245 WeakPolarHBondContact OD1-CB 3.44Å; N243-E245 PolarHBondContact OD1-N 2.89Å |
| 246 | F | 88.9 | Confident | 94.8 | Very high | 43 Ų | 43 | 43.5 Ų | 43.5 | 19% | 0.189 | 24% | 0.244 | C | C | . | . | trans | -160 | 166.7 | -176.5 | 65 | -83 | 0 | 0 | 0 | 112.1 | Y241 N243 C248 R287 I291 | Y241-F246 AromaticContact CD1-CE2 4Å; Y241-F246 HydrophobicContact CD1-CE2 4Å; Y241-F246 HydrophobicContact CD1-CZ 4.38Å; Y241-F246 AromaticContact CE1-CE2 3.89Å; Y241-F246 HydrophobicContact CE1-CE2 3.89Å; Y241-F246 AromaticContact CE1-CZ 3.8Å; Y241-F246 HydrophobicContact CE1-CZ 3.8Å; N243-F246 PolarHBondContact N-O 3.46Å; N243-F246 WeakPolarHBondContact ND2-CE1 3.1Å; N243-F246 WeakPolarHBondContact ND2-CZ 3.45Å; N243-F246 WeakPolarHBondContact OD1-CD1 3.36Å; N243-F246 PolarHBondContact OD1-N 3.29Å; N243-F246 PolarHBondContact OD1-O 2.85Å; F246-C248 HydrophobicContact CD2-CB 4.47Å; F246-R287 VanDerWaalsContact CE1-CZ 3.42Å; F246-R287 HydrophobicContact CE2-CG 4.42Å; F246-R287 HydrophobicContact CZ-CG 4.32Å; F246-R287 VanDerWaalsContact CZ-NH1 3.34Å; F246-I291 HydrophobicContact CE2-CD1 4.02Å; F246-I291 HydrophobicContact CE2-CG1 4.44Å; F246-I291 HydrophobicContact CZ-CD1 4.37Å; F246-I291 HydrophobicContact CZ-CG1 4.39Å | ||
| 247 | S | 92.2 | Very high | 94.5 | Very high | 80 Ų | 80 | 46.9 Ų | 46.9 | 56% | 0.559 | 26% | 0.263 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121 | 152.3 | 164.3 | 60.6 | 0 | 0 | 0 | 0 | 110.8 | Y241 | Y241-S247 CarbonylContact O-C 3.55Å; Y241-S247 WeakPolarHBondContact O-CA 3.4Å |
| 248 | C | 94.5 | Very high | 94.3 | Very high | 15 Ų | 15 | 49.1 Ų | 49.1 | 10% | 0.101 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.4 | 163.3 | 173.9 | 61.6 | 0 | 0 | 0 | 0 | 111.2 | Y241 F246 P250 L265 I291 | Y241-C248 WeakPolarHBondContact CB-O 3.43Å; Y241-C248 PolarHBondContact N-O 3.4Å; Y241-C248 PolarHBondContact O-N 2.94Å; F246-C248 HydrophobicContact CD2-CB 4.47Å; C248-P250 VanDerWaalsContact C-CD 3.48Å; C248-P250 VanDerWaalsContact O-CD 3.24Å; C248-P250 WeakPolarHBondContact O-CD 3.41Å; C248-L265 HydrophobicContact CB-CD2 3.66Å; C248-I291 WeakPolarHBondContact SG-CD1 3.47Å |
| 249 | S | 96.4 | Very high | 94.2 | Very high | 81 Ų | 81 | 48 Ų | 48 | 57% | 0.566 | 27% | 0.27 | S | S | * | . | trans | -119.9 | 75.6 | -177.6 | -48.3 | 0 | 0 | 0 | 0 | 112.3 | M239 | M239-S249 CarbonylContact O-C 3.58Å; M239-S249 WeakPolarHBondContact O-CA 3.36Å; M239-S249 VanDerWaalsContact O-CB 3.23Å; M239-S249 WeakPolarHBondContact O-CB 3.3Å | ||
| 250 | P | 97.2 | Very high | 94.3 | Very high | 3 Ų | 3 | 47.9 Ų | 47.9 | 2% | 0.019 | 27% | 0.27 | C | S | . | . | trans | -74.9 | 153.3 | 175.7 | 31.2 | -32.8 | 0 | 0 | 0 | 111.5 | M239 C248 V262 C263 L288 I291 | M239-P250 HydrophobicContact CB-CG 4.04Å; M239-P250 VanDerWaalsContact CB-O 3.3Å; M239-P250 WeakPolarHBondContact CB-O 3.14Å; M239-P250 HydrophobicContact CE-CG 3.9Å; M239-P250 PolarHBondContact N-O 3.27Å; M239-P250 HydrophobicContact SD-CG 4.07Å; C248-P250 VanDerWaalsContact C-CD 3.48Å; C248-P250 VanDerWaalsContact O-CD 3.24Å; C248-P250 WeakPolarHBondContact O-CD 3.41Å; P250-V262 HydrophobicContact CB-CG1 4.44Å; P250-C263 CarbonylContact C-O 3.32Å; P250-C263 WeakPolarHBondContact CA-O 3.34Å; P250-L288 HydrophobicContact CB-CD2 3.89Å; P250-I291 HydrophobicContact CG-CG2 3.92Å | ||
| 251 | E | 98.2 | Very high | 94.3 | Very high | 60 Ų | 60 | 45.3 Ų | 45.3 | 28% | 0.28 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 140 | 175.2 | -62.7 | 166.2 | -175.9 | 0 | 0 | 108.8 | L237 F238 Y253 V262 C263 | L237-E251 CarbonylContact O-C 3.59Å; L237-E251 WeakPolarHBondContact O-CA 2.9Å; F238-E251 HydrophobicContact CD1-CG 3.78Å; F238-E251 HydrophobicContact CE1-CG 3.78Å; F238-E251 WeakPolarHBondContact CE1-OE1 3.4Å; F238-E251 HydrophobicContact CG-CG 4.47Å; F238-E251 HydrophobicContact CZ-CG 4.47Å; E251-Y253 HydrophobicContact CB-CE1 4.04Å; E251-Y253 HydrophobicContact CB-CE2 4.13Å; E251-Y253 VanDerWaalsContact CD-OH 3.28Å; E251-Y253 PolarHBondContact OE2-OH 3.06Å; E251-V262 VanDerWaalsContact O-CA 3.24Å; E251-V262 WeakPolarHBondContact O-CA 3.37Å; E251-C263 PolarHBondContact N-O 2.97Å; E251-C263 PolarHBondContact O-N 2.97Å; E251-C263 PolarHBondContact OE2-SG 3.41Å |
| 252 | V | 98.3 | Very high | 94.5 | Very high | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.006 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 120 | -177 | -175.6 | 0 | 0 | 0 | 0 | 110.1 | W104 C236 L237 M239 V260 Y261 V262 V292 | W104-V252 HydrophobicContact CH2-CG1 4.44Å; C236-V252 WeakPolarHBondContact CA-O 3.06Å; L237-V252 HydrophobicContact CB-CB 4.14Å; L237-V252 PolarHBondContact N-O 2.89Å; L237-V252 PolarHBondContact O-N 2.93Å; M239-V252 HydrophobicContact SD-CG2 3.57Å; M239-V252 VanDerWaalsContact SD-CG2 3.57Å; V252-V260 HydrophobicContact CG1-CG1 3.46Å; V252-V260 VanDerWaalsContact CG1-CG1 3.46Å; V252-Y261 WeakPolarHBondContact CA-O 3.5Å; V252-V262 HydrophobicContact CG1-CG2 4.3Å; V252-V262 HydrophobicContact CG2-CG1 4.26Å; V252-V262 HydrophobicContact CG2-CG2 4.33Å; V252-V292 HydrophobicContact CG1-CG2 4.23Å; V252-V292 HydrophobicContact CG2-CG2 4Å |
| 253 | Y | 98.1 | Very high | 94.7 | Very high | 7 Ų | 7 | 41 Ų | 41 | 3% | 0.027 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 97.7 | -176.7 | -48.8 | -41.3 | 0 | 0 | 0 | 110.6 | F45 C236 F238 E251 Y261 | F45-Y253 HydrophobicContact CB-CD2 4.42Å; F45-Y253 HydrophobicContact CB-CE1 4.07Å; F45-Y253 HydrophobicContact CB-CE2 3.89Å; F45-Y253 HydrophobicContact CD2-CE1 4.17Å; F45-Y253 HydrophobicContact CG-CE1 4.16Å; C236-Y253 HydrophobicContact CB-CD1 3.77Å; C236-Y253 HydrophobicContact CB-CE1 4.16Å; F238-Y253 AromaticContact CE2-CE1 3.94Å; F238-Y253 HydrophobicContact CE2-CE1 3.94Å; F238-Y253 HydrophobicContact CZ-CE1 4.17Å; F238-Y253 WeakPolarHBondContact CZ-OH 3.19Å; E251-Y253 HydrophobicContact CB-CE1 4.04Å; E251-Y253 HydrophobicContact CB-CE2 4.13Å; E251-Y253 VanDerWaalsContact CD-OH 3.28Å; E251-Y253 PolarHBondContact OE2-OH 3.06Å; Y253-Y261 AromaticContact CD2-CD1 3.54Å; Y253-Y261 HydrophobicContact CD2-CD1 3.54Å; Y253-Y261 AromaticContact CD2-CE1 4Å; Y253-Y261 HydrophobicContact CD2-CE1 4Å; Y253-Y261 HydrophobicContact CE2-CD1 4.22Å; Y253-Y261 HydrophobicContact CE2-CE1 4.24Å; Y253-Y261 HydrophobicContact CG-CD1 4.4Å; Y253-Y261 PolarHBondContact N-O 3.29Å; Y253-Y261 PolarHBondContact O-N 3.41Å |
| 254 | P | 97.4 | Very high | 95.1 | Very high | 5 Ų | 5 | 39.8 Ų | 39.8 | 3% | 0.032 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.8 | 144.9 | 166.3 | -23.1 | 36.1 | 0 | 0 | 0 | 110.6 | R81 W104 Q123 I232 D233 K235 | R81-P254 PolarHBondContact NH2-O 3.23Å; W104-P254 HydrophobicContact CH2-CG 4.34Å; W104-P254 HydrophobicContact CZ2-CG 4.22Å; Q123-P254 PolarHBondContact NE2-O 3.46Å; Q123-P254 PolarHBondContact OE1-O 2.91Å; I232-P254 HydrophobicContact CG2-CB 3.79Å; I232-P254 HydrophobicContact CG2-CG 3.49Å; I232-P254 VanDerWaalsContact CG2-CG 3.49Å; D233-P254 VanDerWaalsContact O-CB 3.24Å; D233-P254 WeakPolarHBondContact O-CB 3.43Å; D233-P254 VanDerWaalsContact O-CG 3.31Å; D233-P254 WeakPolarHBondContact O-CG 3.39Å; K235-P254 VanDerWaalsContact O-CD 3.23Å; K235-P254 WeakPolarHBondContact O-CD 3.41Å; K235-P254 WeakPolarHBondContact O-CG 3.17Å |
| 255 | R | 96.3 | Very high | 95.4 | Very high | 18 Ų | 18 | 35.3 Ų | 35.3 | 7% | 0.068 | 20% | 0.2 | C | C | . | . | trans | -119.4 | 160.1 | 178.9 | -70.1 | -179.9 | 176.2 | 172.7 | 1.6 | 111.1 | A42 D257 N258 T259 | A42-R255 PolarHBondContact O-NH2 3.48Å; R255-D257 VanDerWaalsContact CB-OD1 3.3Å; R255-D257 WeakPolarHBondContact CB-OD1 3.4Å; R255-D257 PolarHBondContact O-N 3.46Å; R255-N258 PolarHBondContact O-N 3.31Å; R255-T259 PolarHBondContact N-O 2.88Å | ||
| 256 | P | 94.1 | Very high | 95.7 | Very high | 69 Ų | 69 | 29.4 Ų | 29.4 | 45% | 0.448 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -22.5 | 180 | -27.9 | 38.4 | 0 | 0 | 0 | 115.4 | D79 N258 | D79-P256 HydrophobicContact CB-CG 4.01Å; P256-N258 PolarHBondContact O-N 3.41Å |
| 257 | D | 92.7 | Very high | 96 | Very high | 71 Ų | 71 | 28.6 Ų | 28.6 | 38% | 0.38 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | 18.7 | -178.9 | 68.5 | -10.2 | 0 | 0 | 0 | 114 | R255 T259 | R255-D257 VanDerWaalsContact CB-OD1 3.3Å; R255-D257 WeakPolarHBondContact CB-OD1 3.4Å; R255-D257 PolarHBondContact O-N 3.46Å; D257-T259 PolarHBondContact O-N 2.96Å; D257-T259 WeakPolarHBondContact OD1-CB 3.11Å; D257-T259 WeakPolarHBondContact OD1-CG2 3.3Å; D257-T259 PolarHBondContact OD1-N 3.22Å; D257-T259 VanDerWaalsContact OD1-N 3.14Å; D257-T259 PolarHBondContact OD1-OG1 3.42Å |
| 258 | N | 92.9 | Very high | 96.1 | Very high | 47 Ų | 47 | 28.4 Ų | 28.4 | 25% | 0.251 | 19% | 0.187 | S | C | . | . | S | Bend | trans | 62.5 | 18.3 | -177.1 | -162.7 | 24.2 | 0 | 0 | 0 | 114.1 | S225 I227 S230 R255 P256 | S225-N258 PolarHBondContact N-O 3.19Å; I227-N258 PolarHBondContact O-ND2 2.98Å; S230-N258 WeakPolarHBondContact CB-OD1 3.25Å; S230-N258 PolarHBondContact OG-OD1 3.34Å; R255-N258 PolarHBondContact O-N 3.31Å; P256-N258 PolarHBondContact O-N 3.41Å |
| 259 | T | 96.3 | Very high | 96.1 | Very high | 10 Ų | 10 | 28.8 Ų | 28.8 | 6% | 0.061 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 154.1 | 166.6 | 69.9 | 0 | 0 | 0 | 0 | 111.3 | I222 L223 K224 R255 D257 | I222-T259 HydrophobicContact CG2-CG2 4.12Å; L223-T259 CarbonylContact O-C 3.54Å; L223-T259 VanDerWaalsContact O-CA 3.26Å; L223-T259 WeakPolarHBondContact O-CA 3.14Å; K224-T259 HydrophobicContact CB-CG2 4.31Å; K224-T259 HydrophobicContact CG-CG2 4.33Å; R255-T259 PolarHBondContact N-O 2.88Å; D257-T259 PolarHBondContact O-N 2.96Å; D257-T259 WeakPolarHBondContact OD1-CB 3.11Å; D257-T259 WeakPolarHBondContact OD1-CG2 3.3Å; D257-T259 PolarHBondContact OD1-N 3.22Å; D257-T259 VanDerWaalsContact OD1-N 3.14Å; D257-T259 PolarHBondContact OD1-OG1 3.42Å |
| 260 | V | 97.8 | Very high | 96 | Very high | 3 Ų | 3 | 30.2 Ų | 30.2 | 2% | 0.018 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 114.2 | 174.9 | -177.9 | 0 | 0 | 0 | 0 | 107.5 | I222 L223 I232 V252 V262 L299 | I222-V260 WeakPolarHBondContact CA-O 3.37Å; L223-V260 PolarHBondContact N-O 3.47Å; L223-V260 PolarHBondContact O-N 2.71Å; I232-V260 HydrophobicContact CD1-CG2 3.95Å; I232-V260 HydrophobicContact CG2-CG2 4.35Å; V252-V260 HydrophobicContact CG1-CG1 3.46Å; V252-V260 VanDerWaalsContact CG1-CG1 3.46Å; V260-V262 HydrophobicContact CG1-CG2 4.11Å; V260-L299 HydrophobicContact CB-CD1 4.26Å; V260-L299 HydrophobicContact CG1-CD1 4.2Å; V260-L299 HydrophobicContact CG2-CD1 4.22Å; V260-L299 HydrophobicContact CG2-CD2 4.1Å |
| 261 | Y | 98.4 | Very high | 95.9 | Very high | 16 Ų | 16 | 32 Ų | 32 | 6% | 0.063 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 133.1 | 172.1 | 175.7 | -86.2 | 0 | 0 | 0 | 109.2 | R41 G43 S220 I222 V252 Y253 C263 | R41-Y261 WeakPolarHBondContact O-CE2 3.33Å; R41-Y261 PolarHBondContact O-OH 2.87Å; G43-Y261 VanDerWaalsContact CA-CD1 3.44Å; S220-Y261 WeakPolarHBondContact CB-OH 3.48Å; I222-Y261 HydrophobicContact CD1-CD2 4.44Å; I222-Y261 HydrophobicContact CG1-CD2 3.99Å; V252-Y261 WeakPolarHBondContact CA-O 3.5Å; Y253-Y261 AromaticContact CD2-CD1 3.54Å; Y253-Y261 HydrophobicContact CD2-CD1 3.54Å; Y253-Y261 AromaticContact CD2-CE1 4Å; Y253-Y261 HydrophobicContact CD2-CE1 4Å; Y253-Y261 HydrophobicContact CE2-CD1 4.22Å; Y253-Y261 HydrophobicContact CE2-CE1 4.24Å; Y253-Y261 HydrophobicContact CG-CD1 4.4Å; Y253-Y261 PolarHBondContact N-O 3.29Å; Y253-Y261 PolarHBondContact O-N 3.41Å; Y261-C263 HydrophobicContact CE1-CB 3.52Å; Y261-C263 WeakPolarHBondContact CE1-SG 3.46Å; Y261-C263 WeakPolarHBondContact OH-CB 3.39Å |
| 262 | V | 98.5 | Very high | 95.6 | Very high | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.006 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 131.3 | 175.6 | -174.1 | 0 | 0 | 0 | 0 | 108.7 | S220 I221 P250 E251 V252 V260 L288 V292 | S220-V262 CarbonylContact C-O 3.48Å; S220-V262 WeakPolarHBondContact CA-O 3.22Å; S220-V262 VanDerWaalsContact CB-O 3.3Å; S220-V262 WeakPolarHBondContact CB-O 3.48Å; I221-V262 HydrophobicContact CD1-CB 4.31Å; I221-V262 HydrophobicContact CG1-CB 3.76Å; I221-V262 HydrophobicContact CG1-CG2 4.32Å; I221-V262 PolarHBondContact N-O 3.13Å; I221-V262 PolarHBondContact O-N 2.84Å; P250-V262 HydrophobicContact CB-CG1 4.44Å; E251-V262 VanDerWaalsContact O-CA 3.24Å; E251-V262 WeakPolarHBondContact O-CA 3.37Å; V252-V262 HydrophobicContact CG1-CG2 4.3Å; V252-V262 HydrophobicContact CG2-CG1 4.26Å; V252-V262 HydrophobicContact CG2-CG2 4.33Å; V260-V262 HydrophobicContact CG1-CG2 4.11Å; V262-L288 HydrophobicContact CG1-CB 4.3Å; V262-L288 HydrophobicContact CG1-CD2 4.27Å; V262-V292 HydrophobicContact CG1-CB 4.4Å; V262-V292 HydrophobicContact CG2-CB 4.12Å; V262-V292 HydrophobicContact CG2-CG1 4.14Å; V262-V292 HydrophobicContact CG2-CG2 3.84Å |
| 263 | C | 98.1 | Very high | 95 | Very high | 13 Ų | 13 | 32.8 Ų | 32.8 | 9% | 0.088 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 164.9 | 174.2 | 69.7 | 0 | 0 | 0 | 0 | 113.6 | H219 P250 E251 Y261 | H219-C263 VanDerWaalsContact O-CA 3.25Å; H219-C263 WeakPolarHBondContact O-CA 3.34Å; H219-C263 VanDerWaalsContact O-CB 3.3Å; H219-C263 WeakPolarHBondContact O-CB 3.45Å; P250-C263 CarbonylContact C-O 3.32Å; P250-C263 WeakPolarHBondContact CA-O 3.34Å; E251-C263 PolarHBondContact N-O 2.97Å; E251-C263 PolarHBondContact O-N 2.97Å; E251-C263 PolarHBondContact OE2-SG 3.41Å; Y261-C263 HydrophobicContact CE1-CB 3.52Å; Y261-C263 WeakPolarHBondContact CE1-SG 3.46Å; Y261-C263 WeakPolarHBondContact OH-CB 3.39Å |
| 264 | G | 96.2 | Very high | 94.2 | Very high | 14 Ų | 14 | 32.6 Ų | 32.6 | 14% | 0.144 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 156.2 | -154 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | H219 G266 | H219-G264 PolarHBondContact N-O 3.37Å; H219-G264 VanDerWaalsContact N-O 3.16Å; H219-G264 PolarHBondContact O-N 3.01Å; G264-G266 PolarHBondContact O-N 2.95Å; G264-G266 VanDerWaalsContact O-N 3.15Å |
| 265 | L | 94.4 | Very high | 93.5 | Very high | 33 Ų | 33 | 34 Ų | 34 | 17% | 0.173 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 46.7 | 48.1 | 175.3 | -56.7 | -179 | 0 | 0 | 0 | 112.6 | H219 C248 R284 R287 L288 | H219-L265 PolarHBondContact ND1-O 2.67Å; C248-L265 HydrophobicContact CB-CD2 3.66Å; L265-R284 HydrophobicContact CB-CB 4.29Å; L265-R284 HydrophobicContact CB-CG 4.38Å; L265-R284 HydrophobicContact CD1-CB 4.09Å; L265-R284 HydrophobicContact CD1-CG 4.5Å; L265-R284 WeakPolarHBondContact CD1-O 3.37Å; L265-R284 PolarHBondContact O-NH1 2.97Å; L265-R287 HydrophobicContact CD1-CB 3.78Å; L265-R287 HydrophobicContact CD1-CG 3.72Å; L265-L288 HydrophobicContact CD1-CD2 4.09Å; L265-L288 HydrophobicContact CD1-CG 3.98Å; L265-L288 HydrophobicContact CG-CD2 4Å; L265-L288 HydrophobicContact CG-CG 4.34Å |
| 266 | G | 93.7 | Very high | 93 | Very high | 28 Ų | 28 | 38 Ų | 38 | 29% | 0.289 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 158.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | R217 G264 | R217-G266 CarbonylContact O-C 3.46Å; R217-G266 WeakPolarHBondContact O-CA 3.45Å; G264-G266 PolarHBondContact O-N 2.95Å; G264-G266 VanDerWaalsContact O-N 3.15Å |
| 267 | D | 94.7 | Very high | 92.6 | Very high | 26 Ų | 26 | 39.7 Ų | 39.7 | 14% | 0.139 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 173.2 | 177.2 | 66.2 | 39.5 | 0 | 0 | 0 | 112.2 | R216 R217 H219 A269 R284 | R216-D267 VanDerWaalsContact CG-O 3.3Å; R216-D267 WeakPolarHBondContact CG-O 3.17Å; R217-D267 WeakPolarHBondContact CB-OD1 3.42Å; R217-D267 IonicContact CZ-OD1 2.65Å; R217-D267 IonicContact CZ-OD2 3.37Å; R217-D267 PolarHBondContact N-O 3.5Å; R217-D267 IonicContact NE-OD1 2.73Å; R217-D267 PolarHBondContact NE-OD1 3.25Å; R217-D267 IonicContact NE-OD2 3.56Å; R217-D267 PolarHBondContact NE-OD2 3.43Å; R217-D267 IonicContact NH2-OD1 2.76Å; R217-D267 IonicContact NH2-OD2 3.49Å; R217-D267 PolarHBondContact NH2-OD2 2.85Å; R217-D267 PolarHBondContact O-N 3.11Å; H219-D267 IonicContact CE1-OD2 3.38Å; D267-A269 VanDerWaalsContact OD1-CB 3.24Å; D267-A269 WeakPolarHBondContact OD1-CB 3.42Å; D267-A269 PolarHBondContact OD1-N 3.33Å; D267-R284 IonicContact OD2-CZ 2.67Å; D267-R284 IonicContact OD2-NE 3.51Å; D267-R284 PolarHBondContact OD2-NE 3.28Å; D267-R284 IonicContact OD2-NH2 2.75Å; D267-R284 PolarHBondContact OD2-NH2 3.19Å |
| 268 | G | 94 | Very high | 92.4 | Very high | 75 Ų | 75 | 37.1 Ų | 37.1 | 77% | 0.773 | 24% | 0.238 | S | C | * | . | trans | -97 | 26.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 269 | A | 95 | Very high | 92.3 | Very high | 23 Ų | 23 | 36.4 Ų | 36.4 | 19% | 0.19 | 24% | 0.242 | C | C | . | . | P | Polyproline II helix | trans | -54.6 | 144.4 | 174 | 0 | 0 | 0 | 0 | 0 | 110.1 | D267 Y311 | D267-A269 VanDerWaalsContact OD1-CB 3.24Å; D267-A269 WeakPolarHBondContact OD1-CB 3.42Å; D267-A269 PolarHBondContact OD1-N 3.33Å; A269-Y311 VanDerWaalsContact O-CE1 3.31Å; A269-Y311 WeakPolarHBondContact O-CE1 3.25Å |
| 270 | P | 93.8 | Very high | 92.2 | Very high | 112 Ų | 112 | 39.7 Ų | 39.7 | 73% | 0.727 | 26% | 0.259 | S | S | * | . | P | Polyproline II helix | trans | -63.7 | 148.6 | 178.2 | 26.3 | -33.9 | 0 | 0 | 0 | 110.9 | P272 Y311 | P270-P272 WeakPolarHBondContact O-CD 3.35Å; P270-Y311 PolarHBondContact O-OH 2.9Å |
| 271 | V | 95.1 | Very high | 92.1 | Very high | 41 Ų | 41 | 43 Ų | 43 | 25% | 0.248 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -66.6 | 122.6 | 171.7 | -176.9 | 0 | 0 | 0 | 0 | 108.1 | P194 W195 Y311 | P194-V271 HydrophobicContact CB-CG1 3.95Å; P194-V271 HydrophobicContact CB-CG2 4.23Å; W195-V271 HydrophobicContact CG-CG1 4.48Å; V271-Y311 HydrophobicContact CB-CD1 4.36Å; V271-Y311 HydrophobicContact CB-CE1 4.4Å; V271-Y311 HydrophobicContact CG2-CD1 3.62Å; V271-Y311 HydrophobicContact CG2-CE1 3.99Å; V271-Y311 HydrophobicContact CG2-CG 4.24Å |
| 272 | P | 92.5 | Very high | 92 | Very high | 24 Ų | 24 | 45.6 Ų | 45.6 | 16% | 0.156 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -72 | 165.7 | 177.4 | 31.5 | -37 | 0 | 0 | 0 | 111.2 | W195 P270 S274 Q277 V278 Y311 | W195-P272 PolarHBondContact NE1-O 2.87Å; P270-P272 WeakPolarHBondContact O-CD 3.35Å; P272-S274 WeakPolarHBondContact CG-O 3.49Å; P272-S274 PolarHBondContact O-N 3.46Å; P272-Q277 HydrophobicContact CB-CB 3.71Å; P272-Q277 HydrophobicContact CG-CB 4.28Å; P272-V278 HydrophobicContact CG-CG2 3.72Å; P272-Y311 HydrophobicContact CG-CE2 4.4Å |
| 273 | S | 84.8 | Confident | 91.8 | Very high | 52 Ų | 52 | 51.3 Ų | 51.3 | 36% | 0.364 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -61.3 | -19.6 | 179.6 | 72.5 | 0 | 0 | 0 | 0 | 113.5 | Q277 | S273-Q277 PolarHBondContact OG-NE2 3.1Å; S273-Q277 PolarHBondContact OG-OE1 2.84Å |
| 274 | S | 82.1 | Confident | 91.8 | Very high | 4 Ų | 4 | 52.7 Ų | 52.7 | 3% | 0.028 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -157.7 | 165.4 | 175.5 | 58.6 | 0 | 0 | 0 | 0 | 114.1 | K31 P272 D276 Q277 | K31-S274 PolarHBondContact NZ-OG 3.26Å; K31-S274 VanDerWaalsContact NZ-OG 3.09Å; P272-S274 WeakPolarHBondContact CG-O 3.49Å; P272-S274 PolarHBondContact O-N 3.46Å; S274-D276 WeakPolarHBondContact CB-OD1 3.34Å; S274-D276 PolarHBondContact O-N 2.82Å; S274-D276 VanDerWaalsContact OG-CG 3.3Å; S274-D276 PolarHBondContact OG-OD1 2.79Å; S274-D276 PolarHBondContact OG-OD2 3.14Å; S274-Q277 WeakPolarHBondContact O-CB 3.49Å; S274-Q277 PolarHBondContact O-N 2.97Å; S274-Q277 VanDerWaalsContact O-N 3.15Å |
| 275 | K | 83.2 | Confident | 91.8 | Very high | 33 Ų | 33 | 52 Ų | 52 | 14% | 0.143 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -62.1 | -39.6 | -177.1 | -170.7 | -156.6 | 130.5 | -164.7 | 0 | 113.6 | E32 S36 A37 R41 W195 Q277 V278 | E32-K275 WeakPolarHBondContact OE2-CD 3.41Å; E32-K275 WeakPolarHBondContact OE2-CE 3.38Å; E32-K275 IonicContact OE2-NZ 2.87Å; E32-K275 PolarHBondContact OE2-NZ 2.88Å; S36-K275 VanDerWaalsContact CB-NZ 3.28Å; S36-K275 VanDerWaalsContact O-CD 3.26Å; S36-K275 WeakPolarHBondContact O-CD 3.19Å; S36-K275 WeakPolarHBondContact O-CE 3.32Å; S36-K275 PolarHBondContact O-NZ 3.17Å; S36-K275 WeakPolarHBondContact OG-CD 3.23Å; A37-K275 HydrophobicContact CB-CD 3.99Å; A37-K275 HydrophobicContact CB-CG 4.09Å; R41-K275 VanDerWaalsContact NH2-CE 3.35Å; W195-K275 HydrophobicContact CH2-CB 3.86Å; W195-K275 HydrophobicContact CH2-CG 4.21Å; W195-K275 HydrophobicContact CZ2-CB 3.88Å; K275-Q277 PolarHBondContact O-N 3.3Å; K275-Q277 VanDerWaalsContact O-N 3.15Å; K275-V278 VanDerWaalsContact O-CB 3.22Å; K275-V278 WeakPolarHBondContact O-CB 3.46Å; K275-V278 VanDerWaalsContact O-CG2 3.23Å; K275-V278 WeakPolarHBondContact O-CG2 3.45Å; K275-V278 PolarHBondContact O-N 2.88Å |
| 276 | D | 83.9 | Confident | 91.9 | Very high | 102 Ų | 102 | 54 Ų | 54 | 55% | 0.545 | 32% | 0.323 | S | S | . | . | G | 310 helix | trans | -60.2 | -20.6 | 176.3 | 53.6 | -64 | 0 | 0 | 0 | 113.4 | K31 S274 | K31-D276 IonicContact NZ-OD1 3.07Å; K31-D276 PolarHBondContact NZ-OD1 2.87Å; S274-D276 WeakPolarHBondContact CB-OD1 3.34Å; S274-D276 PolarHBondContact O-N 2.82Å; S274-D276 VanDerWaalsContact OG-CG 3.3Å; S274-D276 PolarHBondContact OG-OD1 2.79Å; S274-D276 PolarHBondContact OG-OD2 3.14Å |
| 277 | Q | 86.8 | Confident | 92 | Very high | 105 Ų | 105 | 55.4 Ų | 55.4 | 49% | 0.491 | 32% | 0.32 | S | S | . | . | G | 310 helix | trans | -94.5 | 5 | 176 | -63.2 | 173.2 | -1.2 | 0 | 0 | 113.1 | P272 S273 S274 K275 G279 | P272-Q277 HydrophobicContact CB-CB 3.71Å; P272-Q277 HydrophobicContact CG-CB 4.28Å; S273-Q277 PolarHBondContact OG-NE2 3.1Å; S273-Q277 PolarHBondContact OG-OE1 2.84Å; S274-Q277 WeakPolarHBondContact O-CB 3.49Å; S274-Q277 PolarHBondContact O-N 2.97Å; S274-Q277 VanDerWaalsContact O-N 3.15Å; K275-Q277 PolarHBondContact O-N 3.3Å; K275-Q277 VanDerWaalsContact O-N 3.15Å; Q277-G279 PolarHBondContact O-N 3.44Å |
| 278 | V | 89.3 | Confident | 92.1 | Very high | 17 Ų | 17 | 54.2 Ų | 54.2 | 10% | 0.103 | 31% | 0.313 | C | S | . | . | trans | -68.7 | 104.3 | 175.4 | 172.7 | 0 | 0 | 0 | 0 | 108.7 | P272 K275 I280 A309 Y311 | P272-V278 HydrophobicContact CG-CG2 3.72Å; K275-V278 VanDerWaalsContact O-CB 3.22Å; K275-V278 WeakPolarHBondContact O-CB 3.46Å; K275-V278 VanDerWaalsContact O-CG2 3.23Å; K275-V278 WeakPolarHBondContact O-CG2 3.45Å; K275-V278 PolarHBondContact O-N 2.88Å; V278-I280 PolarHBondContact O-N 2.92Å; V278-A309 HydrophobicContact CG1-CB 3.86Å; V278-A309 WeakPolarHBondContact CG1-O 3.4Å; V278-Y311 HydrophobicContact CB-CE2 4.39Å; V278-Y311 HydrophobicContact CG1-CD2 4.26Å; V278-Y311 HydrophobicContact CG1-CE2 3.86Å; V278-Y311 HydrophobicContact CG2-CD2 4.02Å; V278-Y311 HydrophobicContact CG2-CE2 3.88Å | ||
| 279 | G | 89.4 | Confident | 92.3 | Very high | 33 Ų | 33 | 53.7 Ų | 53.7 | 34% | 0.34 | 29% | 0.29 | S | S | . | . | trans | -63.3 | 130.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | R217 Q277 | R217-G279 PolarHBondContact NH1-O 3.46Å; Q277-G279 PolarHBondContact O-N 3.44Å | ||
| 280 | I | 94.4 | Very high | 92.2 | Very high | 78 Ų | 78 | 57.8 Ų | 57.8 | 40% | 0.4 | 31% | 0.305 | S | S | . | . | trans | -101.7 | 115.8 | 172.1 | -56.9 | 169.9 | 0 | 0 | 0 | 107 | V278 S282 A309 | V278-I280 PolarHBondContact O-N 2.92Å; I280-S282 PolarHBondContact O-N 3.32Å; I280-A309 HydrophobicContact CG1-CB 4.2Å | ||
| 281 | E | 95.7 | Very high | 92.3 | Very high | 72 Ų | 72 | 52.5 Ų | 52.5 | 34% | 0.336 | 27% | 0.271 | S | S | . | . | trans | -80 | 100.8 | 174.2 | -57.8 | -65.8 | 146.2 | 0 | 0 | 109.1 | R217 H219 W283 R284 C285 | R217-E281 IonicContact CZ-OE1 2.97Å; R217-E281 IonicContact NH1-OE1 3.55Å; R217-E281 PolarHBondContact NH1-OE1 3.04Å; R217-E281 IonicContact NH2-OE1 3.63Å; R217-E281 PolarHBondContact NH2-OE1 3.3Å; H219-E281 PolarHBondContact NE2-N 3.42Å; H219-E281 VanDerWaalsContact NE2-N 3.19Å; E281-W283 PolarHBondContact O-N 3.18Å; E281-W283 VanDerWaalsContact O-N 3.16Å; E281-R284 HydrophobicContact CB-CB 4.22Å; E281-R284 HydrophobicContact CB-CG 3.86Å; E281-R284 WeakPolarHBondContact O-CB 3.5Å; E281-R284 PolarHBondContact O-N 3.31Å; E281-C285 PolarHBondContact O-N 2.93Å | ||
| 282 | S | 95.5 | Very high | 92.4 | Very high | 71 Ų | 71 | 50.6 Ų | 50.6 | 50% | 0.497 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -53.6 | -38.2 | -177.2 | 56.7 | 0 | 0 | 0 | 0 | 112.9 | I280 R284 C285 N286 | I280-S282 PolarHBondContact O-N 3.32Å; S282-R284 VanDerWaalsContact C-N 3.26Å; S282-R284 PolarHBondContact O-N 3.32Å; S282-C285 PolarHBondContact O-N 3.4Å; S282-N286 WeakPolarHBondContact O-CB 3.44Å; S282-N286 PolarHBondContact O-N 3.37Å; S282-N286 PolarHBondContact O-ND2 2.83Å |
| 283 | W | 96 | Very high | 92.4 | Very high | 121 Ų | 121 | 51 Ų | 51 | 46% | 0.458 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -61.8 | -31.1 | 177.5 | 75.9 | -94.7 | 0 | 0 | 0 | 113 | E281 R287 | E281-W283 PolarHBondContact O-N 3.18Å; E281-W283 VanDerWaalsContact O-N 3.16Å; W283-R287 WeakPolarHBondContact O-CB 3.13Å; W283-R287 PolarHBondContact O-N 3.48Å |
| 284 | R | 96.4 | Very high | 92.8 | Very high | 42 Ų | 42 | 50.6 Ų | 50.6 | 16% | 0.158 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -73.2 | -41.7 | 175.8 | -65.1 | -179.3 | -177.4 | -100.7 | -3.2 | 110.9 | H219 L265 D267 E281 S282 R287 L288 | H219-R284 HydrophobicContact CB-CB 4.23Å; H219-R284 WeakPolarHBondContact CE1-CD 3.23Å; H219-R284 VanDerWaalsContact ND1-CD 3.29Å; H219-R284 WeakPolarHBondContact ND1-CD 3.23Å; L265-R284 HydrophobicContact CB-CB 4.29Å; L265-R284 HydrophobicContact CB-CG 4.38Å; L265-R284 HydrophobicContact CD1-CB 4.09Å; L265-R284 HydrophobicContact CD1-CG 4.5Å; L265-R284 WeakPolarHBondContact CD1-O 3.37Å; L265-R284 PolarHBondContact O-NH1 2.97Å; D267-R284 IonicContact OD2-CZ 2.67Å; D267-R284 IonicContact OD2-NE 3.51Å; D267-R284 PolarHBondContact OD2-NE 3.28Å; D267-R284 IonicContact OD2-NH2 2.75Å; D267-R284 PolarHBondContact OD2-NH2 3.19Å; E281-R284 HydrophobicContact CB-CB 4.22Å; E281-R284 HydrophobicContact CB-CG 3.86Å; E281-R284 WeakPolarHBondContact O-CB 3.5Å; E281-R284 PolarHBondContact O-N 3.31Å; S282-R284 VanDerWaalsContact C-N 3.26Å; S282-R284 PolarHBondContact O-N 3.32Å; R284-R287 PolarHBondContact O-N 3.35Å; R284-L288 WeakPolarHBondContact O-CG 3.45Å; R284-L288 PolarHBondContact O-N 3.38Å |
| 285 | C | 97.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.4 | -45.5 | 174.8 | -68.2 | 0 | 0 | 0 | 0 | 111.5 | I221 E281 S282 R287 L288 K289 E307 | I221-C285 HydrophobicContact CG2-CB 3.68Å; E281-C285 PolarHBondContact O-N 2.93Å; S282-C285 PolarHBondContact O-N 3.4Å; C285-R287 VanDerWaalsContact C-N 3.31Å; C285-R287 PolarHBondContact O-N 2.93Å; C285-L288 PolarHBondContact O-N 2.89Å; C285-K289 PolarHBondContact O-N 3.35Å; C285-E307 HydrophobicContact CB-CB 4.16Å; C285-E307 HydrophobicContact CB-CG 3.99Å |
| 286 | N | 96.5 | Very high | 93.8 | Very high | 74 Ų | 74 | 48.9 Ų | 48.9 | 40% | 0.396 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -58.4 | -43.9 | 173.2 | -73.7 | -24.4 | 0 | 0 | 0 | 111.4 | S282 L288 K289 E290 | S282-N286 WeakPolarHBondContact O-CB 3.44Å; S282-N286 PolarHBondContact O-N 3.37Å; S282-N286 PolarHBondContact O-ND2 2.83Å; N286-L288 PolarHBondContact O-N 2.96Å; N286-K289 CarbonylContact O-C 3.39Å; N286-K289 WeakPolarHBondContact O-CB 3.19Å; N286-K289 PolarHBondContact O-N 2.86Å; N286-K289 VanDerWaalsContact O-N 3.14Å; N286-E290 WeakPolarHBondContact O-CG 3.19Å; N286-E290 PolarHBondContact O-N 2.84Å |
| 287 | R | 95.8 | Very high | 94.1 | Very high | 59 Ų | 59 | 47.2 Ų | 47.2 | 22% | 0.223 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.6 | -43.4 | 177.5 | -176.9 | 58.2 | 64.7 | 79.8 | -1.2 | 112.6 | F246 L265 W283 R284 C285 K289 E290 I291 | F246-R287 VanDerWaalsContact CE1-CZ 3.42Å; F246-R287 HydrophobicContact CE2-CG 4.42Å; F246-R287 HydrophobicContact CZ-CG 4.32Å; F246-R287 VanDerWaalsContact CZ-NH1 3.34Å; L265-R287 HydrophobicContact CD1-CB 3.78Å; L265-R287 HydrophobicContact CD1-CG 3.72Å; W283-R287 WeakPolarHBondContact O-CB 3.13Å; W283-R287 PolarHBondContact O-N 3.48Å; R284-R287 PolarHBondContact O-N 3.35Å; C285-R287 VanDerWaalsContact C-N 3.31Å; C285-R287 PolarHBondContact O-N 2.93Å; R287-K289 VanDerWaalsContact C-N 3.28Å; R287-K289 PolarHBondContact O-N 2.89Å; R287-E290 IonicContact NE-OE2 3.94Å; R287-E290 PolarHBondContact NE-OE2 2.97Å; R287-E290 PolarHBondContact O-N 3.04Å; R287-I291 HydrophobicContact CG-CD1 3.91Å; R287-I291 VanDerWaalsContact O-CD1 3.3Å; R287-I291 WeakPolarHBondContact O-CD1 3.39Å; R287-I291 WeakPolarHBondContact O-CG1 3.23Å; R287-I291 PolarHBondContact O-N 3.36Å |
| 288 | L | 97.1 | Very high | 94.4 | Very high | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59 | -41.4 | 173.3 | -71 | 173.8 | 0 | 0 | 0 | 111.3 | H219 I221 P250 V262 L265 R284 C285 N286 I291 V292 | H219-L288 HydrophobicContact CB-CD1 4.24Å; I221-L288 HydrophobicContact CD1-CB 3.91Å; I221-L288 HydrophobicContact CG1-CB 4.24Å; P250-L288 HydrophobicContact CB-CD2 3.89Å; V262-L288 HydrophobicContact CG1-CB 4.3Å; V262-L288 HydrophobicContact CG1-CD2 4.27Å; L265-L288 HydrophobicContact CD1-CD2 4.09Å; L265-L288 HydrophobicContact CD1-CG 3.98Å; L265-L288 HydrophobicContact CG-CD2 4Å; L265-L288 HydrophobicContact CG-CG 4.34Å; R284-L288 WeakPolarHBondContact O-CG 3.45Å; R284-L288 PolarHBondContact O-N 3.38Å; C285-L288 PolarHBondContact O-N 2.89Å; N286-L288 PolarHBondContact O-N 2.96Å; L288-I291 PolarHBondContact O-N 2.93Å; L288-V292 WeakPolarHBondContact O-CG1 3.5Å; L288-V292 PolarHBondContact O-N 3.16Å |
| 289 | K | 96.7 | Very high | 94.7 | Very high | 63 Ų | 63 | 42.6 Ų | 42.6 | 27% | 0.274 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -65.3 | -46.5 | 177.6 | -172.5 | 175 | -179.9 | 171.4 | 0 | 111.9 | I221 L223 C285 N286 R287 I291 V292 T293 T304 | I221-K289 HydrophobicContact CD1-CB 3.75Å; I221-K289 HydrophobicContact CD1-CG 4.47Å; L223-K289 HydrophobicContact CD2-CD 4.45Å; L223-K289 HydrophobicContact CD2-CG 4.45Å; C285-K289 PolarHBondContact O-N 3.35Å; N286-K289 CarbonylContact O-C 3.39Å; N286-K289 WeakPolarHBondContact O-CB 3.19Å; N286-K289 PolarHBondContact O-N 2.86Å; N286-K289 VanDerWaalsContact O-N 3.14Å; R287-K289 VanDerWaalsContact C-N 3.28Å; R287-K289 PolarHBondContact O-N 2.89Å; K289-I291 VanDerWaalsContact C-N 3.34Å; K289-I291 PolarHBondContact O-N 3.2Å; K289-V292 PolarHBondContact O-N 3.38Å; K289-T293 HydrophobicContact CG-CG2 4.3Å; K289-T293 WeakPolarHBondContact O-CB 3.49Å; K289-T293 VanDerWaalsContact O-CG2 3.25Å; K289-T293 WeakPolarHBondContact O-CG2 3.43Å; K289-T293 PolarHBondContact O-N 2.87Å; K289-T293 PolarHBondContact O-OG1 2.84Å; K289-T304 WeakPolarHBondContact CE-OG1 3.2Å; K289-T304 PolarHBondContact NZ-OG1 3.35Å |
| 290 | E | 94.7 | Very high | 94.9 | Very high | 109 Ų | 109 | 48.4 Ų | 48.4 | 51% | 0.509 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -56.4 | -48.3 | 174.9 | -73.8 | 165.9 | -175.1 | 0 | 0 | 111 | N286 R287 T293 S294 | N286-E290 WeakPolarHBondContact O-CG 3.19Å; N286-E290 PolarHBondContact O-N 2.84Å; R287-E290 IonicContact NE-OE2 3.94Å; R287-E290 PolarHBondContact NE-OE2 2.97Å; R287-E290 PolarHBondContact O-N 3.04Å; E290-T293 PolarHBondContact O-OG1 3.34Å; E290-S294 VanDerWaalsContact O-CB 3.3Å; E290-S294 WeakPolarHBondContact O-CB 3.28Å; E290-S294 PolarHBondContact O-N 3.18Å; E290-S294 PolarHBondContact O-OG 2.95Å |
| 291 | I | 95.3 | Very high | 94.9 | Very high | 2 Ų | 2 | 50.4 Ų | 50.4 | 1% | 0.01 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.9 | -56.4 | 179.5 | -67.4 | 157.7 | 0 | 0 | 0 | 110.6 | M239 Y241 F246 C248 P250 R287 L288 K289 T293 S294 V295 | M239-I291 HydrophobicContact CE-CG2 3.7Å; Y241-I291 HydrophobicContact CD1-CD1 4.48Å; Y241-I291 HydrophobicContact CD1-CG1 4.15Å; Y241-I291 HydrophobicContact CD1-CG2 4.44Å; Y241-I291 HydrophobicContact CD2-CB 4.44Å; Y241-I291 HydrophobicContact CD2-CG1 4.43Å; Y241-I291 HydrophobicContact CD2-CG2 3.47Å; Y241-I291 VanDerWaalsContact CD2-CG2 3.47Å; Y241-I291 HydrophobicContact CE1-CG1 4Å; Y241-I291 HydrophobicContact CE2-CB 4.39Å; Y241-I291 HydrophobicContact CE2-CG1 4.29Å; Y241-I291 HydrophobicContact CE2-CG2 3.83Å; Y241-I291 HydrophobicContact CG-CG1 4.37Å; Y241-I291 HydrophobicContact CG-CG2 3.82Å; F246-I291 HydrophobicContact CE2-CD1 4.02Å; F246-I291 HydrophobicContact CE2-CG1 4.44Å; F246-I291 HydrophobicContact CZ-CD1 4.37Å; F246-I291 HydrophobicContact CZ-CG1 4.39Å; C248-I291 WeakPolarHBondContact SG-CD1 3.47Å; P250-I291 HydrophobicContact CG-CG2 3.92Å; R287-I291 HydrophobicContact CG-CD1 3.91Å; R287-I291 VanDerWaalsContact O-CD1 3.3Å; R287-I291 WeakPolarHBondContact O-CD1 3.39Å; R287-I291 WeakPolarHBondContact O-CG1 3.23Å; R287-I291 PolarHBondContact O-N 3.36Å; L288-I291 PolarHBondContact O-N 2.93Å; K289-I291 VanDerWaalsContact C-N 3.34Å; K289-I291 PolarHBondContact O-N 3.2Å; I291-T293 VanDerWaalsContact C-N 3.32Å; I291-T293 PolarHBondContact O-N 2.94Å; I291-S294 PolarHBondContact O-N 2.97Å; I291-S294 VanDerWaalsContact O-N 3.14Å; I291-S294 PolarHBondContact O-OG 3.49Å; I291-V295 WeakPolarHBondContact O-CG2 3.41Å; I291-V295 PolarHBondContact O-N 2.79Å |
| 292 | V | 95.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.7 | -37.3 | -173.5 | 74.7 | 0 | 0 | 0 | 0 | 111.7 | L223 V252 V262 L288 K289 S294 V295 V296 L299 | L223-V292 HydrophobicContact CD1-CG1 3.54Å; V252-V292 HydrophobicContact CG1-CG2 4.23Å; V252-V292 HydrophobicContact CG2-CG2 4Å; V262-V292 HydrophobicContact CG1-CB 4.4Å; V262-V292 HydrophobicContact CG2-CB 4.12Å; V262-V292 HydrophobicContact CG2-CG1 4.14Å; V262-V292 HydrophobicContact CG2-CG2 3.84Å; L288-V292 WeakPolarHBondContact O-CG1 3.5Å; L288-V292 PolarHBondContact O-N 3.16Å; K289-V292 PolarHBondContact O-N 3.38Å; V292-S294 VanDerWaalsContact C-N 3.35Å; V292-V295 PolarHBondContact O-N 2.67Å; V292-V296 HydrophobicContact CG2-CG2 4.22Å; V292-V296 WeakPolarHBondContact O-CB 3.24Å; V292-V296 PolarHBondContact O-N 2.75Å; V292-L299 HydrophobicContact CG2-CD1 3.97Å |
| 293 | T | 94.5 | Very high | 94.9 | Very high | 33 Ų | 33 | 49 Ų | 49 | 20% | 0.202 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -73.1 | -26.5 | 177.5 | 57.8 | 0 | 0 | 0 | 0 | 113 | K289 E290 I291 V295 L299 | K289-T293 HydrophobicContact CG-CG2 4.3Å; K289-T293 WeakPolarHBondContact O-CB 3.49Å; K289-T293 VanDerWaalsContact O-CG2 3.25Å; K289-T293 WeakPolarHBondContact O-CG2 3.43Å; K289-T293 PolarHBondContact O-N 2.87Å; K289-T293 PolarHBondContact O-OG1 2.84Å; E290-T293 PolarHBondContact O-OG1 3.34Å; I291-T293 VanDerWaalsContact C-N 3.32Å; I291-T293 PolarHBondContact O-N 2.94Å; T293-V295 VanDerWaalsContact C-N 3.25Å; T293-V295 PolarHBondContact O-N 3.45Å; T293-L299 HydrophobicContact CG2-CB 4.13Å; T293-L299 WeakPolarHBondContact CG2-O 3.24Å |
| 294 | S | 92.6 | Very high | 95 | Very high | 43 Ų | 43 | 45.1 Ų | 45.1 | 30% | 0.301 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -70.3 | -23.3 | 171.2 | 77.9 | 0 | 0 | 0 | 0 | 113.2 | E290 I291 V292 | E290-S294 VanDerWaalsContact O-CB 3.3Å; E290-S294 WeakPolarHBondContact O-CB 3.28Å; E290-S294 PolarHBondContact O-N 3.18Å; E290-S294 PolarHBondContact O-OG 2.95Å; I291-S294 PolarHBondContact O-N 2.97Å; I291-S294 VanDerWaalsContact O-N 3.14Å; I291-S294 PolarHBondContact O-OG 3.49Å; V292-S294 VanDerWaalsContact C-N 3.35Å |
| 295 | V | 92.9 | Very high | 95 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -100 | -30.9 | -178.4 | 176.8 | 0 | 0 | 0 | 0 | 112 | L90 V105 S106 A107 M239 Y241 I291 V292 T293 | L90-V295 HydrophobicContact CD1-CG2 3.51Å; L90-V295 HydrophobicContact CD2-CG1 3.65Å; L90-V295 HydrophobicContact CD2-CG2 4.02Å; L90-V295 HydrophobicContact CG-CG2 4.44Å; V105-V295 CarbonylContact C-O 3.57Å; V105-V295 WeakPolarHBondContact CA-O 3.32Å; V105-V295 HydrophobicContact CG1-CG1 3.8Å; V105-V295 HydrophobicContact CG2-CG1 4.32Å; S106-V295 PolarHBondContact N-O 2.73Å; A107-V295 HydrophobicContact CB-CB 4.43Å; A107-V295 HydrophobicContact CB-CG1 4.23Å; A107-V295 HydrophobicContact CB-CG2 4.13Å; M239-V295 HydrophobicContact CE-CB 4.42Å; M239-V295 HydrophobicContact CE-CG1 4.39Å; M239-V295 HydrophobicContact CE-CG2 3.83Å; Y241-V295 HydrophobicContact CD2-CG2 4.35Å; Y241-V295 HydrophobicContact CE2-CG2 4.41Å; I291-V295 WeakPolarHBondContact O-CG2 3.41Å; I291-V295 PolarHBondContact O-N 2.79Å; V292-V295 PolarHBondContact O-N 2.67Å; T293-V295 VanDerWaalsContact C-N 3.25Å; T293-V295 PolarHBondContact O-N 3.45Å |
| 296 | V | 93.4 | Very high | 94.9 | Very high | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.006 | 26% | 0.255 | C | S | . | . | trans | -125.3 | 83.7 | -176.1 | -172 | 0 | 0 | 0 | 0 | 108.4 | W104 I232 V292 S298 L299 | W104-V296 HydrophobicContact CE3-CB 4.39Å; W104-V296 HydrophobicContact CE3-CG1 3.87Å; W104-V296 HydrophobicContact CE3-CG2 3.6Å; W104-V296 HydrophobicContact CZ3-CG1 4.5Å; W104-V296 HydrophobicContact CZ3-CG2 3.59Å; I232-V296 HydrophobicContact CD1-CG1 3.83Å; I232-V296 HydrophobicContact CG1-CG1 4.16Å; V292-V296 HydrophobicContact CG2-CG2 4.22Å; V292-V296 WeakPolarHBondContact O-CB 3.24Å; V292-V296 PolarHBondContact O-N 2.75Å; V296-S298 WeakPolarHBondContact CG1-OG 3.3Å; V296-S298 PolarHBondContact O-N 3.07Å; V296-S298 VanDerWaalsContact O-N 3.11Å; V296-L299 HydrophobicContact CB-CD1 3.99Å; V296-L299 HydrophobicContact CB-CG 4.27Å; V296-L299 HydrophobicContact CG1-CD1 3.85Å; V296-L299 HydrophobicContact CG1-CG 3.83Å; V296-L299 WeakPolarHBondContact O-CB 3.22Å; V296-L299 PolarHBondContact O-N 3.03Å | ||
| 297 | P | 90.4 | Very high | 94.9 | Very high | 67 Ų | 67 | 49.2 Ų | 49.2 | 44% | 0.435 | 25% | 0.253 | S | S | . | . | G | 310 helix | trans | -61 | -25.3 | -171.3 | -26.4 | 35.2 | 0 | 0 | 0 | 114.6 | L299 K300 | P297-L299 PolarHBondContact O-N 2.82Å; P297-K300 WeakPolarHBondContact O-CB 3.31Å; P297-K300 PolarHBondContact O-N 3.17Å |
| 298 | S | 92.7 | Very high | 94.9 | Very high | 25 Ų | 25 | 46.6 Ų | 46.6 | 18% | 0.175 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -63.2 | -16.5 | 174.2 | 53.2 | 0 | 0 | 0 | 0 | 113.4 | V296 | V296-S298 WeakPolarHBondContact CG1-OG 3.3Å; V296-S298 PolarHBondContact O-N 3.07Å; V296-S298 VanDerWaalsContact O-N 3.11Å |
| 299 | L | 95.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -90.5 | -0.1 | 174.3 | -65.5 | 177.5 | 0 | 0 | 0 | 113.7 | L223 I232 V260 V292 T293 V296 P297 D301 A302 | L223-L299 HydrophobicContact CB-CD2 4.5Å; L223-L299 HydrophobicContact CD1-CB 4.46Å; L223-L299 HydrophobicContact CD1-CD1 4.27Å; I232-L299 HydrophobicContact CD1-CD1 4.11Å; I232-L299 HydrophobicContact CD1-CD2 3.6Å; I232-L299 HydrophobicContact CD1-CG 3.72Å; V260-L299 HydrophobicContact CB-CD1 4.26Å; V260-L299 HydrophobicContact CG1-CD1 4.2Å; V260-L299 HydrophobicContact CG2-CD1 4.22Å; V260-L299 HydrophobicContact CG2-CD2 4.1Å; V292-L299 HydrophobicContact CG2-CD1 3.97Å; T293-L299 HydrophobicContact CG2-CB 4.13Å; T293-L299 WeakPolarHBondContact CG2-O 3.24Å; V296-L299 HydrophobicContact CB-CD1 3.99Å; V296-L299 HydrophobicContact CB-CG 4.27Å; V296-L299 HydrophobicContact CG1-CD1 3.85Å; V296-L299 HydrophobicContact CG1-CG 3.83Å; V296-L299 WeakPolarHBondContact O-CB 3.22Å; V296-L299 PolarHBondContact O-N 3.03Å; P297-L299 PolarHBondContact O-N 2.82Å; L299-D301 VanDerWaalsContact C-N 3.27Å; L299-D301 PolarHBondContact O-N 2.9Å; L299-A302 HydrophobicContact CB-CB 4.19Å; L299-A302 HydrophobicContact CD2-CB 3.97Å; L299-A302 WeakPolarHBondContact O-CB 3.43Å; L299-A302 PolarHBondContact O-N 2.85Å |
| 300 | K | 93.5 | Very high | 94.9 | Very high | 156 Ų | 156 | 44.5 Ų | 44.5 | 68% | 0.678 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -41.9 | -176.8 | -175 | -179.3 | 177.7 | -173.4 | 0 | 112.9 | P297 | P297-K300 WeakPolarHBondContact O-CB 3.31Å; P297-K300 PolarHBondContact O-N 3.17Å |
| 301 | D | 93.8 | Very high | 95 | Very high | 120 Ų | 120 | 39.8 Ų | 39.8 | 64% | 0.642 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.6 | 11 | 179.5 | -58.4 | -47.6 | 0 | 0 | 0 | 113 | K226 L299 | K226-D301 WeakPolarHBondContact CD-O 3.47Å; K226-D301 WeakPolarHBondContact CE-O 3.35Å; K226-D301 PolarHBondContact NZ-O 3.28Å; L299-D301 VanDerWaalsContact C-N 3.27Å; L299-D301 PolarHBondContact O-N 2.9Å |
| 302 | A | 96.2 | Very high | 95 | Very high | 8 Ų | 8 | 42 Ų | 42 | 7% | 0.066 | 23% | 0.226 | C | C | . | . | trans | -60.9 | 142.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L223 K224 L299 | L223-A302 HydrophobicContact CB-CB 4.05Å; K224-A302 VanDerWaalsContact O-CA 3.29Å; K224-A302 WeakPolarHBondContact O-CA 3.09Å; K224-A302 VanDerWaalsContact O-CB 3.31Å; K224-A302 WeakPolarHBondContact O-CB 3.48Å; L299-A302 HydrophobicContact CB-CB 4.19Å; L299-A302 HydrophobicContact CD2-CB 3.97Å; L299-A302 WeakPolarHBondContact O-CB 3.43Å; L299-A302 PolarHBondContact O-N 2.85Å | ||
| 303 | E | 96.4 | Very high | 95.1 | Very high | 105 Ų | 105 | 42.9 Ų | 42.9 | 49% | 0.491 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 133.5 | 171.5 | -174.9 | -174.4 | 176.3 | 0 | 0 | 109.6 | L223 K224 I305 | L223-E303 CarbonylContact C-O 3.6Å; L223-E303 VanDerWaalsContact CA-O 3.32Å; L223-E303 WeakPolarHBondContact CA-O 3.11Å; K224-E303 PolarHBondContact N-O 2.82Å; K224-E303 PolarHBondContact O-N 2.89Å; E303-I305 HydrophobicContact CB-CD1 4.3Å; E303-I305 HydrophobicContact CG-CD1 3.9Å; E303-I305 PolarHBondContact O-N 2.82Å |
| 304 | T | 97.4 | Very high | 95.2 | Very high | 40 Ų | 40 | 44 Ų | 44 | 25% | 0.245 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 102.3 | 170.3 | -59.8 | 0 | 0 | 0 | 0 | 108.6 | L223 K289 E307 | L223-T304 HydrophobicContact CD2-CG2 4.36Å; L223-T304 WeakPolarHBondContact CD2-OG1 3.35Å; K289-T304 WeakPolarHBondContact CE-OG1 3.2Å; K289-T304 PolarHBondContact NZ-OG1 3.35Å; T304-E307 HydrophobicContact CG2-CG 3.78Å |
| 305 | I | 96.8 | Very high | 95.4 | Very high | 73 Ų | 73 | 42.3 Ų | 42.3 | 37% | 0.374 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | -35.6 | -179.7 | -56.5 | -59.4 | 0 | 0 | 0 | 110.7 | I222 K224 E303 | I222-I305 HydrophobicContact CB-CB 4.33Å; I222-I305 HydrophobicContact CG2-CB 4.13Å; I222-I305 HydrophobicContact CG2-CG1 4.46Å; I222-I305 PolarHBondContact O-N 3.24Å; K224-I305 HydrophobicContact CB-CD1 3.74Å; K224-I305 HydrophobicContact CB-CG1 3.63Å; K224-I305 HydrophobicContact CD-CD1 4.1Å; E303-I305 HydrophobicContact CB-CD1 4.3Å; E303-I305 HydrophobicContact CG-CD1 3.9Å; E303-I305 PolarHBondContact O-N 2.82Å |
| 306 | T | 95.5 | Very high | 95.5 | Very high | 53 Ų | 53 | 45.6 Ų | 45.6 | 33% | 0.325 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 137.5 | -176.6 | -57.6 | 0 | 0 | 0 | 0 | 110.3 | I221 I222 | I221-T306 CarbonylContact C-O 3.47Å; I221-T306 VanDerWaalsContact CA-O 3.23Å; I221-T306 WeakPolarHBondContact CA-O 3.3Å; I222-T306 PolarHBondContact N-O 3.14Å; I222-T306 PolarHBondContact O-N 3.38Å |
| 307 | E | 96.8 | Very high | 95.4 | Very high | 76 Ų | 76 | 48.7 Ų | 48.7 | 36% | 0.355 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 134.3 | 156.9 | -62.3 | -173.3 | 167.2 | 0 | 0 | 107.6 | I221 C285 T304 | I221-E307 HydrophobicContact CG2-CG 4.2Å; C285-E307 HydrophobicContact CB-CB 4.16Å; C285-E307 HydrophobicContact CB-CG 3.99Å; T304-E307 HydrophobicContact CG2-CG 3.78Å |
| 308 | S | 95.8 | Very high | 95.5 | Very high | 4 Ų | 4 | 48 Ų | 48 | 3% | 0.028 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 162.4 | -179 | 87 | 0 | 0 | 0 | 0 | 113.2 | H219 S220 | H219-S308 WeakPolarHBondContact CA-O 3.32Å; S220-S308 PolarHBondContact N-O 3.42Å; S220-S308 PolarHBondContact O-N 3.48Å; S220-S308 PolarHBondContact OG-OG 3Å |
| 309 | A | 96.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 147.5 | 163 | 0 | 0 | 0 | 0 | 0 | 108.8 | R217 A218 V278 I280 | R217-A309 HydrophobicContact CG-CB 4.01Å; A218-A309 CarbonylContact O-C 3.52Å; A218-A309 VanDerWaalsContact O-CA 3.28Å; A218-A309 WeakPolarHBondContact O-CA 3.13Å; V278-A309 HydrophobicContact CG1-CB 3.86Å; V278-A309 WeakPolarHBondContact CG1-O 3.4Å; I280-A309 HydrophobicContact CG1-CB 4.2Å |
| 310 | C | 95.7 | Very high | 95.6 | Very high | 20 Ų | 20 | 49.5 Ų | 49.5 | 14% | 0.135 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 164.8 | 175.1 | -77.1 | 0 | 0 | 0 | 0 | 110 | A38 R41 R217 A218 | A38-C310 HydrophobicContact CB-CB 4.31Å; R41-C310 WeakPolarHBondContact CD-SG 3.38Å; R217-C310 CarbonylContact C-O 3.59Å; R217-C310 VanDerWaalsContact CA-O 3.27Å; R217-C310 WeakPolarHBondContact CA-O 2.97Å; A218-C310 PolarHBondContact N-O 3.24Å; A218-C310 PolarHBondContact O-N 2.95Å |
| 311 | Y | 97.2 | Very high | 95.8 | Very high | 10 Ų | 10 | 42 Ų | 42 | 4% | 0.039 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 131.6 | 175.7 | -74 | -102 | 0 | 0 | 0 | 110.4 | A38 P194 R216 R217 A269 P270 V271 P272 V278 | A38-Y311 WeakPolarHBondContact CB-O 3.27Å; P194-Y311 WeakPolarHBondContact CG-O 3.38Å; R216-Y311 CarbonylContact O-C 3.54Å; R216-Y311 WeakPolarHBondContact O-CA 3.33Å; R217-Y311 HydrophobicContact CB-CD1 4.08Å; R217-Y311 HydrophobicContact CB-CE1 3.73Å; R217-Y311 HydrophobicContact CB-CE2 4.17Å; R217-Y311 HydrophobicContact CB-CG 4.49Å; R217-Y311 HydrophobicContact CG-CD2 4.46Å; R217-Y311 HydrophobicContact CG-CE1 4.44Å; R217-Y311 HydrophobicContact CG-CE2 3.99Å; A269-Y311 VanDerWaalsContact O-CE1 3.31Å; A269-Y311 WeakPolarHBondContact O-CE1 3.25Å; P270-Y311 PolarHBondContact O-OH 2.9Å; V271-Y311 HydrophobicContact CB-CD1 4.36Å; V271-Y311 HydrophobicContact CB-CE1 4.4Å; V271-Y311 HydrophobicContact CG2-CD1 3.62Å; V271-Y311 HydrophobicContact CG2-CE1 3.99Å; V271-Y311 HydrophobicContact CG2-CG 4.24Å; P272-Y311 HydrophobicContact CG-CE2 4.4Å; V278-Y311 HydrophobicContact CB-CE2 4.39Å; V278-Y311 HydrophobicContact CG1-CD2 4.26Å; V278-Y311 HydrophobicContact CG1-CE2 3.86Å; V278-Y311 HydrophobicContact CG2-CD2 4.02Å; V278-Y311 HydrophobicContact CG2-CE2 3.88Å |
| 312 | L | 96.6 | Very high | 96.1 | Very high | 49 Ų | 49 | 36.4 Ų | 36.4 | 26% | 0.257 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 131.4 | 164.6 | -59.3 | -179.8 | 0 | 0 | 0 | 108.4 | G215 R216 L314 C339 | G215-L312 WeakPolarHBondContact CA-O 3.39Å; R216-L312 PolarHBondContact N-O 3.26Å; R216-L312 PolarHBondContact O-N 3.47Å; L312-L314 HydrophobicContact CB-CD2 4.43Å; L312-C339 HydrophobicContact CD1-CB 4.17Å; L312-C339 HydrophobicContact CD2-CB 4.4Å |
| 313 | P | 96.6 | Very high | 96.2 | Very high | 18 Ų | 18 | 36.1 Ų | 36.1 | 12% | 0.117 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 125.1 | 172.9 | 30.1 | -32.6 | 0 | 0 | 0 | 109.8 | P194 G336 S338 | P194-P313 HydrophobicContact CG-CB 4.39Å; P313-G336 CarbonylContact O-C 3.6Å; P313-G336 VanDerWaalsContact O-C 3.31Å; P313-G336 WeakPolarHBondContact O-CA 3.49Å; P313-S338 WeakPolarHBondContact O-CA 3.37Å; P313-S338 PolarHBondContact O-N 2.97Å |
| 314 | L | 96.6 | Very high | 96.3 | Very high | 55 Ų | 55 | 34.1 Ų | 34.1 | 29% | 0.288 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 147.3 | -177 | -60.3 | 178.9 | 0 | 0 | 0 | 111.7 | H214 R216 L312 | H214-L314 PolarHBondContact N-O 3.02Å; H214-L314 PolarHBondContact O-N 3.21Å; R216-L314 HydrophobicContact CB-CD1 3.66Å; L312-L314 HydrophobicContact CB-CD2 4.43Å |
| 315 | V | 96.4 | Very high | 96.3 | Very high | 8 Ų | 8 | 32.2 Ų | 32.2 | 5% | 0.048 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 142 | 171.3 | -179.5 | 0 | 0 | 0 | 0 | 107.4 | K212 F213 D317 G318 Y319 V321 L400 | K212-V315 CarbonylContact O-C 3.59Å; K212-V315 VanDerWaalsContact O-CA 3.22Å; K212-V315 WeakPolarHBondContact O-CA 3.23Å; F213-V315 HydrophobicContact CD1-CG2 4.1Å; F213-V315 HydrophobicContact CE1-CG2 4.1Å; V315-D317 VanDerWaalsContact CG1-OD1 3.29Å; V315-D317 WeakPolarHBondContact CG1-OD1 3.04Å; V315-D317 PolarHBondContact O-N 2.91Å; V315-D317 VanDerWaalsContact O-N 3.11Å; V315-G318 PolarHBondContact O-N 3.28Å; V315-Y319 VanDerWaalsContact CB-O 3.31Å; V315-Y319 WeakPolarHBondContact CB-O 3.48Å; V315-V321 HydrophobicContact CB-CG2 4.42Å; V315-V321 HydrophobicContact CG1-CG2 3.92Å; V315-V321 HydrophobicContact CG2-CG2 3.72Å; V315-L400 HydrophobicContact CG1-CD1 3.63Å; V315-L400 HydrophobicContact CG1-CD2 4.15Å; V315-L400 HydrophobicContact CG1-CG 4.48Å |
| 316 | S | 94.6 | Very high | 96.3 | Very high | 69 Ų | 69 | 29.9 Ų | 29.9 | 48% | 0.483 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -26.4 | -169 | -57.9 | 0 | 0 | 0 | 0 | 115.4 | K212 H214 | K212-S316 VanDerWaalsContact CA-OG 3.27Å; K212-S316 WeakPolarHBondContact CA-OG 3.43Å; K212-S316 PolarHBondContact O-N 2.96Å; K212-S316 PolarHBondContact O-OG 3.41Å; H214-S316 PolarHBondContact NE2-OG 3.15Å |
| 317 | D | 93.2 | Very high | 96.2 | Very high | 66 Ų | 66 | 30 Ų | 30 | 35% | 0.353 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92 | 2.7 | 176.6 | 61.7 | -0.6 | 0 | 0 | 0 | 113.6 | V315 Y319 R399 | V315-D317 VanDerWaalsContact CG1-OD1 3.29Å; V315-D317 WeakPolarHBondContact CG1-OD1 3.04Å; V315-D317 PolarHBondContact O-N 2.91Å; V315-D317 VanDerWaalsContact O-N 3.11Å; D317-Y319 VanDerWaalsContact C-N 3.27Å; D317-Y319 HydrophobicContact CB-CD2 4.22Å; D317-Y319 VanDerWaalsContact O-CD2 3.31Å; D317-Y319 WeakPolarHBondContact O-CD2 3.5Å; D317-Y319 WeakPolarHBondContact O-CE2 3.24Å; D317-Y319 PolarHBondContact O-N 3.35Å; D317-Y319 PolarHBondContact OD1-N 2.76Å; D317-R399 IonicContact OD1-CZ 3.15Å; D317-R399 IonicContact OD1-NH1 2.68Å; D317-R399 PolarHBondContact OD1-NH1 2.93Å; D317-R399 IonicContact OD1-NH2 2.96Å; D317-R399 IonicContact OD2-CZ 3.18Å; D317-R399 VanDerWaalsContact OD2-CZ 3.29Å; D317-R399 IonicContact OD2-NE 3.93Å; D317-R399 IonicContact OD2-NH1 3.58Å; D317-R399 PolarHBondContact OD2-NH1 3.31Å |
| 318 | G | 92.4 | Very high | 96.2 | Very high | 53 Ų | 53 | 26.5 Ų | 26.5 | 55% | 0.546 | 17% | 0.171 | S | C | . | . | S | Bend | trans | 83.3 | -8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | V315 | V315-G318 PolarHBondContact O-N 3.28Š|
| 319 | Y | 94.2 | Very high | 96.1 | Very high | 56 Ų | 56 | 28.8 Ų | 28.8 | 22% | 0.22 | 19% | 0.186 | C | C | . | . | trans | -97.5 | 144 | 179.2 | -55.5 | -72.5 | 0 | 0 | 0 | 112 | E55 V315 D317 R399 | E55-Y319 HydrophobicContact CB-CE1 3.87Å; E55-Y319 HydrophobicContact CG-CE1 4.39Å; E55-Y319 PolarHBondContact OE1-OH 3.13Å; E55-Y319 WeakPolarHBondContact OE2-CE1 3.38Å; E55-Y319 PolarHBondContact OE2-OH 3.34Å; V315-Y319 VanDerWaalsContact CB-O 3.31Å; V315-Y319 WeakPolarHBondContact CB-O 3.48Å; D317-Y319 VanDerWaalsContact C-N 3.27Å; D317-Y319 HydrophobicContact CB-CD2 4.22Å; D317-Y319 VanDerWaalsContact O-CD2 3.31Å; D317-Y319 WeakPolarHBondContact O-CD2 3.5Å; D317-Y319 WeakPolarHBondContact O-CE2 3.24Å; D317-Y319 PolarHBondContact O-N 3.35Å; D317-Y319 PolarHBondContact OD1-N 2.76Å; Y319-R399 PolarHBondContact O-NH2 3.06Å | ||
| 320 | P | 96.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 19% | 0.19 | C | C | . | . | trans | -65.4 | 156.6 | 171.5 | 33.3 | -38.1 | 0 | 0 | 0 | 110 | M56 L59 I322 T335 N337 F395 R399 | M56-P320 HydrophobicContact CE-CG 3.72Å; M56-P320 WeakPolarHBondContact SD-CD 3.32Å; M56-P320 HydrophobicContact SD-CG 3.42Å; M56-P320 WeakPolarHBondContact SD-CG 3.15Å; L59-P320 HydrophobicContact CD1-CG 4.06Å; P320-I322 HydrophobicContact CB-CD1 4.33Å; P320-I322 HydrophobicContact CB-CG1 4.36Å; P320-I322 HydrophobicContact CG-CD1 4.33Å; P320-T335 CarbonylContact C-O 3.48Å; P320-T335 VanDerWaalsContact CA-O 3.27Å; P320-T335 WeakPolarHBondContact CA-O 3.48Å; P320-T335 WeakPolarHBondContact CB-O 3.37Å; P320-N337 WeakPolarHBondContact CB-OD1 3.38Å; P320-F395 HydrophobicContact CG-CD1 3.47Å; P320-F395 VanDerWaalsContact CG-CD1 3.47Å; P320-F395 HydrophobicContact CG-CE1 3.7Å; P320-F395 HydrophobicContact CG-CG 4.19Å; P320-F395 WeakPolarHBondContact O-CA 3.49Å; P320-R399 VanDerWaalsContact C-NH2 3.35Å; P320-R399 PolarHBondContact O-NH2 3.11Å | ||
| 321 | V | 97.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 111.7 | -179.9 | 177.6 | 0 | 0 | 0 | 0 | 106.6 | F213 V315 I333 A334 T335 F395 P397 L400 | F213-V321 HydrophobicContact CE1-CB 4.46Å; F213-V321 HydrophobicContact CE1-CG2 4.15Å; F213-V321 HydrophobicContact CZ-CG2 4.35Å; V315-V321 HydrophobicContact CB-CG2 4.42Å; V315-V321 HydrophobicContact CG1-CG2 3.92Å; V315-V321 HydrophobicContact CG2-CG2 3.72Å; V321-I333 HydrophobicContact CG1-CG2 3.71Å; V321-A334 WeakPolarHBondContact O-CA 3.26Å; V321-T335 HydrophobicContact CB-CG2 4.45Å; V321-T335 PolarHBondContact N-O 3.45Å; V321-T335 PolarHBondContact O-N 3.34Å; V321-F395 CarbonylContact C-O 3.59Å; V321-F395 WeakPolarHBondContact CA-O 3.46Å; V321-P397 HydrophobicContact CG1-CB 3.6Å; V321-P397 HydrophobicContact CG1-CG 3.54Å; V321-L400 HydrophobicContact CG2-CD1 3.32Å; V321-L400 HydrophobicContact CG2-CG 4.41Å |
| 322 | I | 98.4 | Very high | 96.4 | Very high | 2 Ų | 2 | 28 Ų | 28 | 1% | 0.01 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 108 | -174.5 | -53.5 | 170.3 | 0 | 0 | 0 | 108 | L59 P320 I333 S348 L351 L352 I355 F395 | L59-I322 HydrophobicContact CD1-CD1 3.95Å; P320-I322 HydrophobicContact CB-CD1 4.33Å; P320-I322 HydrophobicContact CB-CG1 4.36Å; P320-I322 HydrophobicContact CG-CD1 4.33Å; I322-I333 WeakPolarHBondContact CA-O 3.49Å; I322-S348 WeakPolarHBondContact CD1-OG 3.35Å; I322-L351 HydrophobicContact CD1-CD2 4.26Å; I322-L351 HydrophobicContact CG2-CD2 4.15Å; I322-L351 HydrophobicContact CG2-CG 4.18Å; I322-L352 HydrophobicContact CG2-CB 3.85Å; I322-L352 HydrophobicContact CG2-CD1 4.06Å; I322-I355 HydrophobicContact CG2-CD1 4.42Å; I322-F395 HydrophobicContact CB-CB 4.03Å; I322-F395 HydrophobicContact CD1-CB 4.39Å; I322-F395 HydrophobicContact CD1-CD2 4.5Å; I322-F395 HydrophobicContact CD1-CG 4.43Å; I322-F395 HydrophobicContact CG1-CB 4.3Å; I322-F395 PolarHBondContact N-O 2.81Å |
| 323 | G | 98.4 | Very high | 96.5 | Very high | 2 Ų | 2 | 25.6 Ų | 25.6 | 2% | 0.021 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 153.9 | -162.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y332 I333 | G323-Y332 CarbonylContact O-C 3.56Å; G323-Y332 VanDerWaalsContact O-CA 3.27Å; G323-Y332 WeakPolarHBondContact O-CA 3.16Å; G323-I333 PolarHBondContact N-O 2.86Å; G323-I333 PolarHBondContact O-N 3.3Å |
| 324 | Q | 98.3 | Very high | 96.6 | Very high | 62 Ų | 62 | 24.8 Ų | 24.8 | 29% | 0.29 | 16% | 0.163 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 136.4 | 179.2 | -171.8 | 176.2 | 38.3 | 0 | 0 | 110.9 | L328 S329 Y332 N359 P397 | Q324-L328 VanDerWaalsContact CG-O 3.32Å; Q324-L328 WeakPolarHBondContact CG-O 3.3Å; Q324-S329 VanDerWaalsContact NE2-C 3.33Å; Q324-S329 VanDerWaalsContact NE2-CA 3.3Å; Q324-S329 PolarHBondContact NE2-O 2.86Å; Q324-Y332 HydrophobicContact CB-CD1 3.98Å; Q324-Y332 HydrophobicContact CB-CE1 3.62Å; Q324-Y332 HydrophobicContact CG-CE1 4.09Å; Q324-N359 PolarHBondContact OE1-ND2 2.86Å; Q324-N359 VanDerWaalsContact OE1-ND2 3.11Å; Q324-P397 WeakPolarHBondContact O-CG 3.4Å |
| 325 | I | 98 | Very high | 96.6 | Very high | 1 Ų | 1 | 22.4 Ų | 22.4 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | P | Polyproline II helix | trans | -72.8 | 130.8 | 175.7 | -63.7 | -169.8 | 0 | 0 | 0 | 109.7 | L190 L203 C207 L208 G327 L328 V331 I333 | L190-I325 HydrophobicContact CD1-CD1 3.91Å; L203-I325 HydrophobicContact CD1-CD1 3.69Å; L203-I325 HydrophobicContact CD1-CG2 3.98Å; L203-I325 HydrophobicContact CD2-CD1 3.85Å; L203-I325 HydrophobicContact CG-CD1 4.43Å; C207-I325 HydrophobicContact CB-CG2 3.8Å; L208-I325 HydrophobicContact CD1-CD1 4.19Å; L208-I325 HydrophobicContact CD1-CG1 4.21Å; L208-I325 HydrophobicContact CD1-CG2 4.19Å; L208-I325 HydrophobicContact CG-CG2 4.2Å; I325-G327 PolarHBondContact O-N 2.97Å; I325-L328 HydrophobicContact CB-CB 4.44Å; I325-L328 HydrophobicContact CB-CD1 4.37Å; I325-L328 HydrophobicContact CG2-CD1 3.89Å; I325-L328 HydrophobicContact CG2-CG 4.4Å; I325-L328 PolarHBondContact O-N 2.82Å; I325-L328 VanDerWaalsContact O-N 3.1Å; I325-V331 HydrophobicContact CB-CB 4.42Å; I325-V331 HydrophobicContact CD1-CB 4.25Å; I325-V331 HydrophobicContact CD1-CG1 3.55Å; I325-V331 HydrophobicContact CG1-CB 4.49Å; I325-V331 HydrophobicContact CG1-CG1 4.23Å; I325-V331 PolarHBondContact N-O 3.49Å; I325-I333 HydrophobicContact CD1-CB 4.22Å; I325-I333 HydrophobicContact CD1-CG2 4.35Å; I325-I333 HydrophobicContact CG1-CB 4.21Å; I325-I333 HydrophobicContact CG1-CG2 3.86Å |
| 326 | P | 96.6 | Very high | 96.7 | Very high | 23 Ų | 23 | 22.1 Ų | 22.1 | 15% | 0.149 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | 136.6 | 178.9 | -25.9 | 35.5 | 0 | 0 | 0 | 112.2 | C207 L208 L328 A398 I401 | C207-P326 WeakPolarHBondContact CB-O 3.29Å; C207-P326 WeakPolarHBondContact O-CD 3.2Å; C207-P326 PolarHBondContact SG-O 2.87Å; L208-P326 HydrophobicContact CD2-CG 4.43Å; P326-L328 PolarHBondContact O-N 2.94Å; P326-A398 HydrophobicContact CG-CB 4.19Å; P326-I401 HydrophobicContact CB-CD1 3.52Å; P326-I401 HydrophobicContact CB-CG1 3.83Å; P326-I401 HydrophobicContact CG-CD1 3.67Å; P326-I401 HydrophobicContact CG-CG1 3.68Å |
| 327 | G | 94.2 | Very high | 96.7 | Very high | 56 Ų | 56 | 19 Ų | 19 | 58% | 0.577 | 13% | 0.128 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 78.8 | -4.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | I325 | I325-G327 PolarHBondContact O-N 2.97Š|
| 328 | L | 95.9 | Very high | 96.8 | Very high | 3 Ų | 3 | 17.3 Ų | 17.3 | 2% | 0.016 | 12% | 0.122 | C | C | . | . | trans | -125.4 | 113.4 | -178.6 | -61.7 | 176.4 | 0 | 0 | 0 | 111.3 | F157 P165 L203 P204 Q324 I325 P326 N330 V331 | F157-L328 HydrophobicContact CD1-CD2 4.18Å; F157-L328 HydrophobicContact CE1-CD1 3.92Å; F157-L328 HydrophobicContact CE1-CD2 3.76Å; F157-L328 HydrophobicContact CZ-CD1 4.28Å; P165-L328 HydrophobicContact CB-CD2 4.28Å; P165-L328 HydrophobicContact CG-CD2 3.83Å; P165-L328 VanDerWaalsContact O-CD2 3.3Å; P165-L328 WeakPolarHBondContact O-CD2 3.46Å; L203-L328 HydrophobicContact CD2-CD1 3.77Å; P204-L328 HydrophobicContact CG-CD2 4.3Å; Q324-L328 VanDerWaalsContact CG-O 3.32Å; Q324-L328 WeakPolarHBondContact CG-O 3.3Å; I325-L328 HydrophobicContact CB-CB 4.44Å; I325-L328 HydrophobicContact CB-CD1 4.37Å; I325-L328 HydrophobicContact CG2-CD1 3.89Å; I325-L328 HydrophobicContact CG2-CG 4.4Å; I325-L328 PolarHBondContact O-N 2.82Å; I325-L328 VanDerWaalsContact O-N 3.1Å; P326-L328 PolarHBondContact O-N 2.94Å; L328-N330 PolarHBondContact O-N 3.35Å; L328-V331 HydrophobicContact CB-CB 4.01Å; L328-V331 HydrophobicContact CB-CG2 4.07Å; L328-V331 HydrophobicContact CD1-CB 3.87Å; L328-V331 HydrophobicContact CD1-CG2 3.78Å; L328-V331 HydrophobicContact CG-CG2 4.46Å | ||
| 329 | S | 95 | Very high | 96.9 | Very high | 51 Ų | 51 | 18.5 Ų | 18.5 | 36% | 0.357 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69 | -22.8 | -177.3 | 64.9 | 0 | 0 | 0 | 0 | 113.5 | K166 Q324 | K166-S329 WeakPolarHBondContact CE-OG 3.37Å; Q324-S329 VanDerWaalsContact NE2-C 3.33Å; Q324-S329 VanDerWaalsContact NE2-CA 3.3Å; Q324-S329 PolarHBondContact NE2-O 2.86Å |
| 330 | N | 96.9 | Very high | 96.9 | Very high | 13 Ų | 13 | 18.1 Ų | 18.1 | 7% | 0.07 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -128.9 | 22 | -169.2 | 67.3 | -27.3 | 0 | 0 | 0 | 114 | V167 S186 L187 V188 L328 | V167-N330 VanDerWaalsContact CG1-ND2 3.32Å; V167-N330 WeakPolarHBondContact CG1-ND2 3.3Å; V167-N330 PolarHBondContact N-OD1 2.7Å; V167-N330 VanDerWaalsContact N-OD1 3.13Å; V167-N330 PolarHBondContact O-ND2 3.09Å; S186-N330 WeakPolarHBondContact O-CB 3.43Å; S186-N330 PolarHBondContact O-ND2 3.44Å; L187-N330 WeakPolarHBondContact CA-O 3.3Å; V188-N330 PolarHBondContact N-O 3.33Å; L328-N330 PolarHBondContact O-N 3.35Å |
| 331 | V | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 132.4 | 170.8 | -167.6 | 0 | 0 | 0 | 0 | 109.9 | F157 V167 V188 L190 L203 I325 L328 | F157-V331 HydrophobicContact CE1-CG2 4.33Å; V167-V331 HydrophobicContact CB-CG2 3.69Å; V167-V331 HydrophobicContact CG1-CG2 3.56Å; V188-V331 CarbonylContact O-C 3.53Å; V188-V331 VanDerWaalsContact O-CA 3.31Å; V188-V331 WeakPolarHBondContact O-CA 3.36Å; L190-V331 HydrophobicContact CD1-CG1 4.35Å; L190-V331 HydrophobicContact CG-CG1 4.35Å; L203-V331 HydrophobicContact CD2-CG1 4.24Å; I325-V331 HydrophobicContact CB-CB 4.42Å; I325-V331 HydrophobicContact CD1-CB 4.25Å; I325-V331 HydrophobicContact CD1-CG1 3.55Å; I325-V331 HydrophobicContact CG1-CB 4.49Å; I325-V331 HydrophobicContact CG1-CG1 4.23Å; I325-V331 PolarHBondContact N-O 3.49Å; L328-V331 HydrophobicContact CB-CB 4.01Å; L328-V331 HydrophobicContact CB-CG2 4.07Å; L328-V331 HydrophobicContact CD1-CB 3.87Å; L328-V331 HydrophobicContact CD1-CG2 3.78Å; L328-V331 HydrophobicContact CG-CG2 4.46Å |
| 332 | Y | 98.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 160 | -176.9 | -68.7 | -97.5 | 0 | 0 | 0 | 110.3 | L187 V188 I189 L190 G323 Q324 L352 I355 I356 N359 N360 | L187-Y332 HydrophobicContact CD1-CD2 4.18Å; L187-Y332 HydrophobicContact CD1-CE2 3.78Å; L187-Y332 HydrophobicContact CD2-CD2 4.08Å; L187-Y332 HydrophobicContact CG-CD2 4.12Å; L187-Y332 HydrophobicContact CG-CE2 4.15Å; V188-Y332 PolarHBondContact O-N 3.03Å; I189-Y332 CarbonylContact C-O 3.48Å; I189-Y332 WeakPolarHBondContact CA-O 3.29Å; L190-Y332 PolarHBondContact N-O 2.92Å; G323-Y332 CarbonylContact O-C 3.56Å; G323-Y332 VanDerWaalsContact O-CA 3.27Å; G323-Y332 WeakPolarHBondContact O-CA 3.16Å; Q324-Y332 HydrophobicContact CB-CD1 3.98Å; Q324-Y332 HydrophobicContact CB-CE1 3.62Å; Q324-Y332 HydrophobicContact CG-CE1 4.09Å; Y332-L352 HydrophobicContact CD1-CD1 4.16Å; Y332-I355 HydrophobicContact CE1-CG2 4.13Å; Y332-I356 HydrophobicContact CD1-CD1 4.37Å; Y332-I356 HydrophobicContact CD1-CG1 3.47Å; Y332-I356 VanDerWaalsContact CD1-CG1 3.47Å; Y332-I356 HydrophobicContact CD2-CG1 3.92Å; Y332-I356 HydrophobicContact CE1-CB 4.36Å; Y332-I356 HydrophobicContact CE1-CG1 3.63Å; Y332-I356 HydrophobicContact CE2-CG1 4.07Å; Y332-I356 HydrophobicContact CG-CD1 4.18Å; Y332-I356 HydrophobicContact CG-CG1 3.64Å; Y332-N359 VanDerWaalsContact OH-CB 3.23Å; Y332-N359 WeakPolarHBondContact OH-CB 3.12Å; Y332-N360 PolarHBondContact OH-ND2 3.22Å |
| 333 | I | 98.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 142.5 | 179.2 | -175.6 | 165.4 | 0 | 0 | 0 | 110.3 | L190 V200 L208 F213 V321 I322 G323 I325 T335 P397 | L190-I333 HydrophobicContact CB-CB 4.31Å; L190-I333 HydrophobicContact CB-CG1 4.21Å; L190-I333 VanDerWaalsContact O-CA 3.31Å; L190-I333 WeakPolarHBondContact O-CA 3.39Å; V200-I333 HydrophobicContact CG2-CD1 4.33Å; L208-I333 HydrophobicContact CD1-CD1 4.39Å; F213-I333 HydrophobicContact CE1-CD1 4.13Å; F213-I333 HydrophobicContact CZ-CD1 4.28Å; V321-I333 HydrophobicContact CG1-CG2 3.71Å; I322-I333 WeakPolarHBondContact CA-O 3.49Å; G323-I333 PolarHBondContact N-O 2.86Å; G323-I333 PolarHBondContact O-N 3.3Å; I325-I333 HydrophobicContact CD1-CB 4.22Å; I325-I333 HydrophobicContact CD1-CG2 4.35Å; I325-I333 HydrophobicContact CG1-CB 4.21Å; I325-I333 HydrophobicContact CG1-CG2 3.86Å; I333-T335 HydrophobicContact CD1-CG2 4Å; I333-T335 HydrophobicContact CG1-CG2 4.04Å; I333-P397 HydrophobicContact CG2-CB 4.2Å; I333-P397 HydrophobicContact CG2-CG 3.68Å |
| 334 | A | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 111.5 | 166.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | L190 T191 V321 L352 | L190-A334 PolarHBondContact O-N 3.19Å; T191-A334 HydrophobicContact CG2-CB 4.16Å; V321-A334 WeakPolarHBondContact O-CA 3.26Å; A334-L352 HydrophobicContact CB-CD2 3.66Å |
| 335 | T | 98.1 | Very high | 96.8 | Very high | 5 Ų | 5 | 16.2 Ų | 16.2 | 3% | 0.031 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.6 | 176 | -177.7 | -165 | 0 | 0 | 0 | 0 | 111.7 | G193 S196 F213 P320 V321 I333 N337 | G193-T335 WeakPolarHBondContact CA-OG1 3.25Å; G193-T335 PolarHBondContact O-OG1 2.85Å; S196-T335 VanDerWaalsContact OG-CB 3.3Å; S196-T335 WeakPolarHBondContact OG-CB 3.26Å; S196-T335 WeakPolarHBondContact OG-CG2 3.3Å; S196-T335 PolarHBondContact OG-OG1 3.15Å; F213-T335 HydrophobicContact CD1-CG2 4Å; F213-T335 HydrophobicContact CE1-CG2 3.72Å; P320-T335 CarbonylContact C-O 3.48Å; P320-T335 VanDerWaalsContact CA-O 3.27Å; P320-T335 WeakPolarHBondContact CA-O 3.48Å; P320-T335 WeakPolarHBondContact CB-O 3.37Å; V321-T335 HydrophobicContact CB-CG2 4.45Å; V321-T335 PolarHBondContact N-O 3.45Å; V321-T335 PolarHBondContact O-N 3.34Å; I333-T335 HydrophobicContact CD1-CG2 4Å; I333-T335 HydrophobicContact CG1-CG2 4.04Å; T335-N337 PolarHBondContact O-OD1 2.88Å |
| 336 | G | 96.7 | Very high | 96.9 | Very high | 3 Ų | 3 | 16.1 Ų | 16.1 | 3% | 0.031 | 11% | 0.113 | C | C | . | . | trans | 91.1 | 10.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | P313 S338 | P313-G336 CarbonylContact O-C 3.6Å; P313-G336 VanDerWaalsContact O-C 3.31Å; P313-G336 WeakPolarHBondContact O-CA 3.49Å; G336-S338 PolarHBondContact O-N 3.03Å | ||
| 337 | N | 95.7 | Very high | 96.9 | Very high | 3 Ų | 3 | 15.3 Ų | 15.3 | 2% | 0.016 | 11% | 0.107 | C | C | . | . | trans | -75.8 | 11.1 | -174.6 | -62.7 | 62 | 0 | 0 | 0 | 114.7 | M11 P320 T335 C339 W340 G341 T344 S348 | M11-N337 HydrophobicContact CE-CB 3.86Å; M11-N337 WeakPolarHBondContact CE-ND2 3.06Å; M11-N337 WeakPolarHBondContact CE-OD1 3.47Å; P320-N337 WeakPolarHBondContact CB-OD1 3.38Å; T335-N337 PolarHBondContact O-OD1 2.88Å; N337-C339 PolarHBondContact O-N 2.85Å; N337-W340 CarbonylContact O-C 3.55Å; N337-W340 WeakPolarHBondContact O-CA 3.35Å; N337-W340 PolarHBondContact O-N 2.86Å; N337-G341 PolarHBondContact O-N 2.71Å; N337-T344 PolarHBondContact ND2-OG1 2.67Å; N337-S348 PolarHBondContact ND2-OG 2.79Å; N337-S348 VanDerWaalsContact ND2-OG 3.13Å | ||
| 338 | S | 94.9 | Very high | 97.1 | Very high | 31 Ų | 31 | 12.7 Ų | 12.7 | 22% | 0.217 | 8% | 0.08 | C | C | . | . | G | 310 helix | trans | 47.5 | -135.5 | 174.1 | 74.4 | 0 | 0 | 0 | 0 | 113.5 | P313 G336 W340 | P313-S338 WeakPolarHBondContact O-CA 3.37Å; P313-S338 PolarHBondContact O-N 2.97Å; G336-S338 PolarHBondContact O-N 3.03Å; S338-W340 PolarHBondContact O-N 3.04Å |
| 339 | C | 94.1 | Very high | 97.3 | Very high | 78 Ų | 78 | 12.5 Ų | 12.5 | 53% | 0.527 | 8% | 0.079 | S | C | . | . | G | 310 helix | trans | -70.6 | -17.9 | 176 | 52.7 | 0 | 0 | 0 | 0 | 113.2 | L312 N337 G341 | L312-C339 HydrophobicContact CD1-CB 4.17Å; L312-C339 HydrophobicContact CD2-CB 4.4Å; N337-C339 PolarHBondContact O-N 2.85Å; C339-G341 VanDerWaalsContact C-N 3.28Å; C339-G341 PolarHBondContact O-N 3.39Å |
| 340 | W | 95.1 | Very high | 97.5 | Very high | 48 Ų | 48 | 11.1 Ų | 11.1 | 18% | 0.182 | 7% | 0.066 | C | C | . | . | G | 310 helix | trans | -88.3 | 12.9 | -178.4 | -56.5 | 119.4 | 0 | 0 | 0 | 113.8 | F45 A47 W50 N337 S338 I342 L343 T344 | F45-W340 HydrophobicContact CD1-CZ3 4.37Å; F45-W340 HydrophobicContact CE1-CZ3 4.48Å; A47-W340 HydrophobicContact CB-CH2 4.36Å; A47-W340 HydrophobicContact CB-CZ3 4.12Å; W50-W340 HydrophobicContact CB-CH2 4.23Å; W50-W340 HydrophobicContact CB-CZ2 4.43Å; W50-W340 AromaticContact CE3-CH2 3.77Å; W50-W340 HydrophobicContact CE3-CH2 3.77Å; W50-W340 HydrophobicContact CE3-CZ2 4.49Å; N337-W340 CarbonylContact O-C 3.55Å; N337-W340 WeakPolarHBondContact O-CA 3.35Å; N337-W340 PolarHBondContact O-N 2.86Å; S338-W340 PolarHBondContact O-N 3.04Å; W340-I342 VanDerWaalsContact C-N 3.34Å; W340-I342 PolarHBondContact O-N 2.75Å; W340-L343 HydrophobicContact CD2-CD2 4.4Å; W340-L343 HydrophobicContact CE3-CD2 3.8Å; W340-L343 HydrophobicContact CZ3-CD2 4.45Å; W340-L343 PolarHBondContact O-N 2.61Å; W340-T344 HydrophobicContact CB-CG2 4.21Å; W340-T344 WeakPolarHBondContact O-CB 3.17Å; W340-T344 PolarHBondContact O-N 3.34Å; W340-T344 PolarHBondContact O-OG1 2.94Å |
| 341 | G | 96 | Very high | 97.5 | Very high | 14 Ų | 14 | 10.6 Ų | 10.6 | 14% | 0.144 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -63.6 | -30.4 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | I10 N337 C339 G345 | I10-G341 WeakPolarHBondContact CG2-O 3.46Å; N337-G341 PolarHBondContact O-N 2.71Å; C339-G341 VanDerWaalsContact C-N 3.28Å; C339-G341 PolarHBondContact O-N 3.39Å; G341-G345 WeakPolarHBondContact O-CA 3.49Å; G341-G345 PolarHBondContact O-N 3.19Å |
| 342 | I | 98.1 | Very high | 97.5 | Very high | 10 Ų | 10 | 10.6 Ų | 10.6 | 5% | 0.051 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -74.3 | -50.2 | 174.6 | -57 | -51.7 | 0 | 0 | 0 | 110.1 | I10 S39 A42 L46 H67 V124 P126 L129 W340 T344 G345 P346 | I10-I342 HydrophobicContact CB-CD1 4.48Å; S39-I342 WeakPolarHBondContact O-CD1 3.22Å; A42-I342 HydrophobicContact CB-CD1 4.14Å; A42-I342 HydrophobicContact CB-CG1 3.71Å; L46-I342 HydrophobicContact CD2-CG2 4.16Å; H67-I342 PolarHBondContact CE1-O 2.99Å; H67-I342 PolarHBondContact NE2-O 2.83Å; V124-I342 HydrophobicContact CG1-CG2 3.66Å; P126-I342 HydrophobicContact CB-CD1 3.82Å; P126-I342 HydrophobicContact CB-CG1 4.1Å; P126-I342 HydrophobicContact CG-CD1 4.45Å; P126-I342 HydrophobicContact CG-CG1 4.18Å; P126-I342 HydrophobicContact CG-CG2 4.48Å; L129-I342 HydrophobicContact CD2-CG2 4.22Å; W340-I342 VanDerWaalsContact C-N 3.34Å; W340-I342 PolarHBondContact O-N 2.75Å; I342-T344 PolarHBondContact O-N 3.14Å; I342-G345 PolarHBondContact O-N 3.12Å; I342-P346 WeakPolarHBondContact O-CD 3.3Å |
| 343 | L | 98 | Very high | 97.5 | Very high | 1 Ų | 1 | 10.6 Ų | 10.6 | 1% | 0.005 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -52.4 | -50.5 | 175.6 | 172.2 | 66.1 | 0 | 0 | 0 | 112.9 | L46 A47 A60 G63 F64 H67 W340 | L46-L343 HydrophobicContact CB-CD1 4.18Å; L46-L343 HydrophobicContact CD2-CB 3.96Å; L46-L343 HydrophobicContact CD2-CD1 4.21Å; A47-L343 WeakPolarHBondContact O-CD2 3.41Å; A60-L343 HydrophobicContact CB-CD2 3.99Å; G63-L343 WeakPolarHBondContact CA-O 3.28Å; F64-L343 HydrophobicContact CB-CD1 3.95Å; F64-L343 HydrophobicContact CD2-CD1 4.35Å; H67-L343 PolarHBondContact CE1-O 3.05Å; H67-L343 VanDerWaalsContact CE1-O 3.28Å; W340-L343 HydrophobicContact CD2-CD2 4.4Å; W340-L343 HydrophobicContact CE3-CD2 3.8Å; W340-L343 HydrophobicContact CZ3-CD2 4.45Å; W340-L343 PolarHBondContact O-N 2.61Å |
| 344 | T | 97.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -95.1 | -6.4 | -171.7 | 60.4 | 0 | 0 | 0 | 0 | 113.2 | M56 L59 N337 W340 I342 I347 S348 | M56-T344 HydrophobicContact CE-CG2 4.23Å; L59-T344 HydrophobicContact CB-CG2 3.85Å; N337-T344 PolarHBondContact ND2-OG1 2.67Å; W340-T344 HydrophobicContact CB-CG2 4.21Å; W340-T344 WeakPolarHBondContact O-CB 3.17Å; W340-T344 PolarHBondContact O-N 3.34Å; W340-T344 PolarHBondContact O-OG1 2.94Å; I342-T344 PolarHBondContact O-N 3.14Å; T344-I347 WeakPolarHBondContact O-CG2 3.41Å; T344-S348 WeakPolarHBondContact O-CB 3.36Å; T344-S348 PolarHBondContact O-N 2.85Å; T344-S348 PolarHBondContact O-OG 3.43Å |
| 345 | G | 97.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -58.5 | -58.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | G341 I342 I347 S348 G349 | G341-G345 WeakPolarHBondContact O-CA 3.49Å; G341-G345 PolarHBondContact O-N 3.19Å; I342-G345 PolarHBondContact O-N 3.12Å; G345-I347 PolarHBondContact O-N 3.2Å; G345-S348 PolarHBondContact O-N 3.06Å; G345-G349 PolarHBondContact O-N 3.28Å |
| 346 | P | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -54.4 | -51.1 | 176.6 | -29.1 | 37.2 | 0 | 0 | 0 | 113.5 | S14 Y18 L66 L70 I342 S348 G349 R350 | S14-P346 WeakPolarHBondContact OG-CA 3.38Å; Y18-P346 WeakPolarHBondContact CE2-O 3.47Å; L66-P346 HydrophobicContact CD2-CB 3.81Å; L66-P346 HydrophobicContact CG-CB 4.27Å; L70-P346 HydrophobicContact CD1-CB 3.81Å; L70-P346 HydrophobicContact CD1-CG 3.96Å; I342-P346 WeakPolarHBondContact O-CD 3.3Å; P346-S348 VanDerWaalsContact C-N 3.32Å; P346-S348 PolarHBondContact O-N 2.92Å; P346-G349 PolarHBondContact O-N 3.26Å; P346-G349 VanDerWaalsContact O-N 3.14Å; P346-R350 PolarHBondContact O-N 2.79Å |
| 347 | I | 98.3 | Very high | 97.6 | Very high | 6 Ų | 6 | 13 Ų | 13 | 3% | 0.031 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -66.8 | -34 | -178.1 | -169.9 | 66.2 | 0 | 0 | 0 | 112.4 | L59 K62 L66 T344 G345 R350 L351 L386 | L59-I347 HydrophobicContact CB-CG2 4.27Å; L59-I347 HydrophobicContact CD2-CG1 4.31Å; L59-I347 HydrophobicContact CD2-CG2 4.11Å; L59-I347 WeakPolarHBondContact O-CG2 3.14Å; K62-I347 HydrophobicContact CB-CD1 3.91Å; K62-I347 HydrophobicContact CB-CG1 3.88Å; L66-I347 HydrophobicContact CD2-CB 3.9Å; L66-I347 HydrophobicContact CD2-CD1 3.98Å; T344-I347 WeakPolarHBondContact O-CG2 3.41Å; G345-I347 PolarHBondContact O-N 3.2Å; I347-R350 PolarHBondContact O-N 2.99Å; I347-L351 WeakPolarHBondContact O-CB 3.38Å; I347-L351 PolarHBondContact O-N 2.94Å; I347-L386 HydrophobicContact CD1-CD1 3.95Å; I347-L386 HydrophobicContact CD1-CD2 3.62Å; I347-L386 HydrophobicContact CD1-CG 4.45Å; I347-L386 HydrophobicContact CG1-CD1 4.26Å; I347-L386 HydrophobicContact CG1-CD2 4.21Å |
| 348 | S | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -66.2 | -39.2 | 173.9 | -61.2 | 0 | 0 | 0 | 0 | 111.3 | M11 I322 N337 T344 G345 P346 L351 L352 | M11-S348 VanDerWaalsContact SD-CB 3.59Å; I322-S348 WeakPolarHBondContact CD1-OG 3.35Å; N337-S348 PolarHBondContact ND2-OG 2.79Å; N337-S348 VanDerWaalsContact ND2-OG 3.13Å; T344-S348 WeakPolarHBondContact O-CB 3.36Å; T344-S348 PolarHBondContact O-N 2.85Å; T344-S348 PolarHBondContact O-OG 3.43Å; G345-S348 PolarHBondContact O-N 3.06Å; P346-S348 VanDerWaalsContact C-N 3.32Å; P346-S348 PolarHBondContact O-N 2.92Å; S348-L351 PolarHBondContact O-N 2.75Å; S348-L352 WeakPolarHBondContact O-CB 3.34Å; S348-L352 PolarHBondContact O-N 2.92Å |
| 349 | G | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -63.3 | -39.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | T15 G345 P346 T353 | T15-G349 WeakPolarHBondContact OG1-CA 3.4Å; G345-G349 PolarHBondContact O-N 3.28Å; P346-G349 PolarHBondContact O-N 3.26Å; P346-G349 VanDerWaalsContact O-N 3.14Å; G349-T353 WeakPolarHBondContact O-CB 3.5Å; G349-T353 PolarHBondContact O-N 2.98Å; G349-T353 PolarHBondContact O-OG1 3.27Å |
| 350 | R | 98.7 | Very high | 97.9 | Very high | 22 Ų | 22 | 19.7 Ų | 19.7 | 8% | 0.083 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -65.4 | -47.5 | 173.8 | -179.1 | 177.1 | -83.9 | 168.5 | -4.8 | 111.3 | Y18 L66 E69 P346 I347 L352 T353 A354 E379 Q383 L386 | Y18-R350 HydrophobicContact CD1-CB 4.09Å; Y18-R350 HydrophobicContact CD1-CG 4.24Å; Y18-R350 HydrophobicContact CD2-CB 3.68Å; Y18-R350 VanDerWaalsContact CD2-N 3.26Å; Y18-R350 HydrophobicContact CE1-CB 4.18Å; Y18-R350 HydrophobicContact CE1-CG 4.42Å; Y18-R350 VanDerWaalsContact CE1-NE 3.31Å; Y18-R350 HydrophobicContact CE2-CB 3.8Å; Y18-R350 HydrophobicContact CG-CB 3.85Å; Y18-R350 HydrophobicContact CG-CG 4.36Å; L66-R350 VanDerWaalsContact CD1-NH1 3.26Å; E69-R350 IonicContact OE2-NH1 2.73Å; P346-R350 PolarHBondContact O-N 2.79Å; I347-R350 PolarHBondContact O-N 2.99Å; R350-L352 PolarHBondContact O-N 3.4Å; R350-T353 WeakPolarHBondContact O-CB 3.34Å; R350-T353 PolarHBondContact O-N 3.02Å; R350-A354 PolarHBondContact O-N 2.7Å; R350-E379 WeakPolarHBondContact CG-OE1 3.32Å; R350-E379 IonicContact CZ-OE2 3.67Å; R350-E379 IonicContact NE-OE1 3.07Å; R350-E379 PolarHBondContact NE-OE1 3.24Å; R350-E379 VanDerWaalsContact NE-OE1 3.15Å; R350-E379 IonicContact NE-OE2 3.47Å; R350-E379 PolarHBondContact NE-OE2 3.43Å; R350-E379 IonicContact NH2-OE2 2.82Å; R350-E379 PolarHBondContact NH2-OE2 3.09Å; R350-Q383 HydrophobicContact CG-CG 4.03Å; R350-L386 HydrophobicContact CB-CD2 4.21Å; R350-L386 HydrophobicContact CG-CD2 3.89Å |
| 351 | L | 98.5 | Very high | 97.8 | Very high | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.005 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -58.6 | -48.6 | 176.5 | 175.5 | 58.9 | 0 | 0 | 0 | 111.2 | L59 I322 I347 S348 T353 A354 I355 L386 L387 I392 F395 | L59-L351 HydrophobicContact CD2-CD2 4.24Å; I322-L351 HydrophobicContact CD1-CD2 4.26Å; I322-L351 HydrophobicContact CG2-CD2 4.15Å; I322-L351 HydrophobicContact CG2-CG 4.18Å; I347-L351 WeakPolarHBondContact O-CB 3.38Å; I347-L351 PolarHBondContact O-N 2.94Å; S348-L351 PolarHBondContact O-N 2.75Å; L351-T353 VanDerWaalsContact C-N 3.28Å; L351-T353 PolarHBondContact O-N 3.14Å; L351-A354 WeakPolarHBondContact O-CB 3.44Å; L351-A354 PolarHBondContact O-N 3.43Å; L351-A354 VanDerWaalsContact O-N 3.15Å; L351-I355 HydrophobicContact CD1-CD1 4.02Å; L351-I355 HydrophobicContact CD1-CG1 4.25Å; L351-I355 HydrophobicContact CG-CD1 3.97Å; L351-I355 WeakPolarHBondContact O-CG1 3.46Å; L351-I355 PolarHBondContact O-N 3.35Å; L351-L386 HydrophobicContact CB-CD2 3.73Å; L351-L386 HydrophobicContact CB-CG 4.3Å; L351-L386 HydrophobicContact CD1-CD2 4.43Å; L351-L386 HydrophobicContact CD1-CG 4.13Å; L351-L387 HydrophobicContact CD1-CD2 4.16Å; L351-I392 HydrophobicContact CD1-CD1 4.45Å; L351-I392 HydrophobicContact CD2-CB 4.47Å; L351-I392 HydrophobicContact CD2-CG2 4.47Å; L351-F395 HydrophobicContact CD2-CD2 4.04Å |
| 352 | L | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60.3 | -41.7 | 179.2 | -175.1 | 62 | 0 | 0 | 0 | 111.5 | T15 I189 I322 Y332 A334 S348 R350 A354 I355 I356 | T15-L352 HydrophobicContact CG2-CD2 4.11Å; I189-L352 HydrophobicContact CG2-CD2 3.56Å; I322-L352 HydrophobicContact CG2-CB 3.85Å; I322-L352 HydrophobicContact CG2-CD1 4.06Å; Y332-L352 HydrophobicContact CD1-CD1 4.16Å; A334-L352 HydrophobicContact CB-CD2 3.66Å; S348-L352 WeakPolarHBondContact O-CB 3.34Å; S348-L352 PolarHBondContact O-N 2.92Å; R350-L352 PolarHBondContact O-N 3.4Å; L352-A354 VanDerWaalsContact C-N 3.34Å; L352-A354 PolarHBondContact O-N 2.98Å; L352-I355 PolarHBondContact O-N 2.78Å; L352-I356 HydrophobicContact CD1-CD1 4.42Å; L352-I356 HydrophobicContact CD2-CD1 4.35Å; L352-I356 HydrophobicContact CG-CD1 3.87Å; L352-I356 HydrophobicContact CG-CG1 4.43Å; L352-I356 VanDerWaalsContact O-CG1 3.28Å; L352-I356 WeakPolarHBondContact O-CG1 3.4Å; L352-I356 PolarHBondContact O-N 3.49Å |
| 353 | T | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60.5 | -44 | 176 | -59.9 | 0 | 0 | 0 | 0 | 111.4 | Y18 L19 G349 R350 L351 I355 I356 L357 | Y18-T353 WeakPolarHBondContact CB-OG1 3.42Å; L19-T353 HydrophobicContact CD2-CG2 3.83Å; L19-T353 HydrophobicContact CG-CG2 4.01Å; G349-T353 WeakPolarHBondContact O-CB 3.5Å; G349-T353 PolarHBondContact O-N 2.98Å; G349-T353 PolarHBondContact O-OG1 3.27Å; R350-T353 WeakPolarHBondContact O-CB 3.34Å; R350-T353 PolarHBondContact O-N 3.02Å; L351-T353 VanDerWaalsContact C-N 3.28Å; L351-T353 PolarHBondContact O-N 3.14Å; T353-I355 PolarHBondContact O-N 3.22Å; T353-I356 PolarHBondContact O-N 3.46Å; T353-L357 HydrophobicContact CG2-CD1 3.74Å; T353-L357 HydrophobicContact CG2-CG 4.4Å; T353-L357 WeakPolarHBondContact O-CG 3.15Å; T353-L357 PolarHBondContact O-N 2.81Å |
| 354 | A | 98.6 | Very high | 97.1 | Very high | 3 Ų | 3 | 35.1 Ų | 35.1 | 3% | 0.025 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -58.8 | -45.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | R350 L351 L352 L357 K358 Q383 L387 | R350-A354 PolarHBondContact O-N 2.7Å; L351-A354 WeakPolarHBondContact O-CB 3.44Å; L351-A354 PolarHBondContact O-N 3.43Å; L351-A354 VanDerWaalsContact O-N 3.15Å; L352-A354 VanDerWaalsContact C-N 3.34Å; L352-A354 PolarHBondContact O-N 2.98Å; A354-L357 PolarHBondContact O-N 3.02Å; A354-K358 WeakPolarHBondContact O-CB 3.33Å; A354-K358 PolarHBondContact O-N 2.77Å; A354-Q383 HydrophobicContact CB-CB 3.62Å; A354-Q383 HydrophobicContact CB-CG 3.92Å; A354-L387 HydrophobicContact CB-CD1 3.77Å; A354-L387 HydrophobicContact CB-CD2 3.94Å; A354-L387 HydrophobicContact CB-CG 3.68Å |
| 355 | I | 98.6 | Very high | 96.9 | Very high | 33 Ų | 33 | 39 Ų | 39 | 17% | 0.169 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.3 | -44.6 | 177.2 | -63.3 | 166.3 | 0 | 0 | 0 | 111.1 | I322 Y332 L351 L352 T353 L357 N359 L387 | I322-I355 HydrophobicContact CG2-CD1 4.42Å; Y332-I355 HydrophobicContact CE1-CG2 4.13Å; L351-I355 HydrophobicContact CD1-CD1 4.02Å; L351-I355 HydrophobicContact CD1-CG1 4.25Å; L351-I355 HydrophobicContact CG-CD1 3.97Å; L351-I355 WeakPolarHBondContact O-CG1 3.46Å; L351-I355 PolarHBondContact O-N 3.35Å; L352-I355 PolarHBondContact O-N 2.78Å; T353-I355 PolarHBondContact O-N 3.22Å; I355-L357 VanDerWaalsContact C-N 3.34Å; I355-L357 PolarHBondContact O-N 2.86Å; I355-N359 PolarHBondContact O-N 2.91Å; I355-L387 HydrophobicContact CG1-CD2 3.84Å |
| 356 | I | 98.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -58.4 | -48.2 | 177.7 | -73.3 | 164.5 | 0 | 0 | 0 | 110.2 | L187 I189 Y332 L352 T353 N359 N360 L363 | L187-I356 HydrophobicContact CD1-CG2 3.93Å; I189-I356 HydrophobicContact CD1-CD1 3.6Å; I189-I356 HydrophobicContact CG1-CD1 3.93Å; Y332-I356 HydrophobicContact CD1-CD1 4.37Å; Y332-I356 HydrophobicContact CD1-CG1 3.47Å; Y332-I356 VanDerWaalsContact CD1-CG1 3.47Å; Y332-I356 HydrophobicContact CD2-CG1 3.92Å; Y332-I356 HydrophobicContact CE1-CB 4.36Å; Y332-I356 HydrophobicContact CE1-CG1 3.63Å; Y332-I356 HydrophobicContact CE2-CG1 4.07Å; Y332-I356 HydrophobicContact CG-CD1 4.18Å; Y332-I356 HydrophobicContact CG-CG1 3.64Å; L352-I356 HydrophobicContact CD1-CD1 4.42Å; L352-I356 HydrophobicContact CD2-CD1 4.35Å; L352-I356 HydrophobicContact CG-CD1 3.87Å; L352-I356 HydrophobicContact CG-CG1 4.43Å; L352-I356 VanDerWaalsContact O-CG1 3.28Å; L352-I356 WeakPolarHBondContact O-CG1 3.4Å; L352-I356 PolarHBondContact O-N 3.49Å; T353-I356 PolarHBondContact O-N 3.46Å; I356-N359 CarbonylContact O-C 3.41Å; I356-N359 PolarHBondContact O-N 2.78Å; I356-N360 WeakPolarHBondContact O-CB 3.45Å; I356-N360 PolarHBondContact O-N 3.11Å; I356-N360 PolarHBondContact O-ND2 2.94Å; I356-L363 HydrophobicContact CG2-CD2 4.12Å |
| 357 | L | 97.9 | Very high | 96.2 | Very high | 22 Ų | 22 | 47.4 Ų | 47.4 | 12% | 0.115 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -75.6 | -32.5 | -174 | -66 | 171.5 | 0 | 0 | 0 | 113.2 | R22 I24 T353 A354 I355 N359 N360 P361 L363 | R22-L357 HydrophobicContact CB-CD1 3.81Å; R22-L357 HydrophobicContact CG-CD1 3.58Å; I24-L357 HydrophobicContact CD1-CD1 4.31Å; I24-L357 HydrophobicContact CD1-CD2 3.33Å; I24-L357 HydrophobicContact CD1-CG 4.36Å; T353-L357 HydrophobicContact CG2-CD1 3.74Å; T353-L357 HydrophobicContact CG2-CG 4.4Å; T353-L357 WeakPolarHBondContact O-CG 3.15Å; T353-L357 PolarHBondContact O-N 2.81Å; A354-L357 PolarHBondContact O-N 3.02Å; I355-L357 VanDerWaalsContact C-N 3.34Å; I355-L357 PolarHBondContact O-N 2.86Å; L357-N359 VanDerWaalsContact C-N 3.26Å; L357-N359 PolarHBondContact O-N 3.27Å; L357-N360 CarbonylContact O-C 3.53Å; L357-N360 VanDerWaalsContact O-C 3.24Å; L357-N360 PolarHBondContact O-N 2.69Å; L357-P361 WeakPolarHBondContact O-CA 3.34Å; L357-L363 HydrophobicContact CD2-CB 4.34Å; L357-L363 HydrophobicContact CD2-CD2 4.11Å |
| 358 | K | 97.4 | Very high | 96 | Very high | 146 Ų | 146 | 51 Ų | 51 | 64% | 0.635 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -58.3 | -40.7 | 169.1 | -178.2 | 174.8 | 179.1 | 177.1 | 0 | 111.7 | A354 L387 | A354-K358 WeakPolarHBondContact O-CB 3.33Å; A354-K358 PolarHBondContact O-N 2.77Å; K358-L387 HydrophobicContact CB-CD1 4.43Å; K358-L387 HydrophobicContact CD-CD1 4.13Å |
| 359 | N | 97 | Very high | 95.8 | Very high | 70 Ų | 70 | 52.3 Ų | 52.3 | 37% | 0.374 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -85.4 | -16 | -179.6 | -70.3 | 2.9 | 0 | 0 | 0 | 113.4 | Q324 Y332 I355 I356 L357 | Q324-N359 PolarHBondContact OE1-ND2 2.86Å; Q324-N359 VanDerWaalsContact OE1-ND2 3.11Å; Y332-N359 VanDerWaalsContact OH-CB 3.23Å; Y332-N359 WeakPolarHBondContact OH-CB 3.12Å; I355-N359 PolarHBondContact O-N 2.91Å; I356-N359 CarbonylContact O-C 3.41Å; I356-N359 PolarHBondContact O-N 2.78Å; L357-N359 VanDerWaalsContact C-N 3.26Å; L357-N359 PolarHBondContact O-N 3.27Å |
| 360 | N | 96.3 | Very high | 95.8 | Very high | 38 Ų | 38 | 55.4 Ų | 55.4 | 20% | 0.203 | 29% | 0.293 | C | S | . | . | trans | -134.5 | 64.3 | -178.2 | -56.7 | -90.7 | 0 | 0 | 0 | 110.7 | Y332 I356 L357 N362 L363 | Y332-N360 PolarHBondContact OH-ND2 3.22Å; I356-N360 WeakPolarHBondContact O-CB 3.45Å; I356-N360 PolarHBondContact O-N 3.11Å; I356-N360 PolarHBondContact O-ND2 2.94Å; L357-N360 CarbonylContact O-C 3.53Å; L357-N360 VanDerWaalsContact O-C 3.24Å; L357-N360 PolarHBondContact O-N 2.69Å; N360-N362 PolarHBondContact O-N 2.9Å; N360-N362 VanDerWaalsContact O-N 3.09Å; N360-L363 HydrophobicContact CB-CB 4.14Å; N360-L363 WeakPolarHBondContact O-CB 3.27Å; N360-L363 PolarHBondContact O-N 3.15Å | ||
| 361 | P | 93.5 | Very high | 95.7 | Very high | 97 Ų | 97 | 54.7 Ų | 54.7 | 63% | 0.63 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -23.5 | -175.4 | 24.4 | -35 | 0 | 0 | 0 | 113.3 | L357 | L357-P361 WeakPolarHBondContact O-CA 3.34Š|
| 362 | N | 91.7 | Very high | 95.7 | Very high | 145 Ų | 145 | 58.2 Ų | 58.2 | 78% | 0.775 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.9 | 18 | 179.2 | -60 | -40.9 | 0 | 0 | 0 | 113.1 | N360 K364 | N360-N362 PolarHBondContact O-N 2.9Å; N360-N362 VanDerWaalsContact O-N 3.09Å; N362-K364 PolarHBondContact O-N 3.27Å |
| 363 | L | 93.7 | Very high | 95.5 | Very high | 12 Ų | 12 | 63.9 Ų | 63.9 | 6% | 0.063 | 34% | 0.343 | C | S | . | . | P | Polyproline II helix | trans | -58.7 | 128.1 | 176.6 | -169.1 | 61.4 | 0 | 0 | 0 | 109.4 | M1 V3 I24 I356 L357 N360 Q365 | M1-L363 HydrophobicContact SD-CD1 4.16Å; V3-L363 HydrophobicContact CG2-CD1 4.2Å; V3-L363 HydrophobicContact CG2-CD2 4.14Å; I24-L363 HydrophobicContact CD1-CD2 3.86Å; I24-L363 HydrophobicContact CD1-CG 4.38Å; I24-L363 HydrophobicContact CG1-CD2 4.4Å; I24-L363 HydrophobicContact CG2-CD2 4.2Å; I356-L363 HydrophobicContact CG2-CD2 4.12Å; L357-L363 HydrophobicContact CD2-CB 4.34Å; L357-L363 HydrophobicContact CD2-CD2 4.11Å; N360-L363 HydrophobicContact CB-CB 4.14Å; N360-L363 WeakPolarHBondContact O-CB 3.27Å; N360-L363 PolarHBondContact O-N 3.15Å; L363-Q365 PolarHBondContact O-N 2.94Å; L363-Q365 VanDerWaalsContact O-N 3.16Å |
| 364 | K | 92.2 | Very high | 95.5 | Very high | 143 Ų | 143 | 69 Ų | 69 | 62% | 0.622 | 37% | 0.367 | S | S | * | . | P | Polyproline II helix | trans | -58.5 | 120.5 | -171.1 | -176.5 | -179.1 | 178 | -177.6 | 0 | 110.8 | M1 N362 | M1-K364 HydrophobicContact CB-CB 4.23Å; M1-K364 HydrophobicContact CE-CB 4.27Å; N362-K364 PolarHBondContact O-N 3.27Å |
| 365 | Q | 93.1 | Very high | 95.4 | Very high | 80 Ų | 80 | 71.7 Ų | 71.7 | 37% | 0.374 | 38% | 0.38 | S | S | . | . | P | Polyproline II helix | trans | -87.2 | 141.6 | 171.6 | -67.5 | 170.3 | 35.1 | 0 | 0 | 110.2 | K23 L363 | K23-Q365 HydrophobicContact CB-CB 4.17Å; K23-Q365 HydrophobicContact CB-CG 4.42Å; K23-Q365 CarbonylContact O-C 3.57Å; K23-Q365 WeakPolarHBondContact O-CA 3.33Å; L363-Q365 PolarHBondContact O-N 2.94Å; L363-Q365 VanDerWaalsContact O-N 3.16Å |
| 366 | S | 91.4 | Very high | 95.4 | Very high | 21 Ų | 21 | 72.3 Ų | 72.3 | 15% | 0.147 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -70.2 | 134 | 172.9 | -174 | 0 | 0 | 0 | 0 | 110 | K23 D25 N368 | K23-S366 PolarHBondContact O-N 2.85Å; D25-S366 WeakPolarHBondContact OD2-CB 3.28Å; D25-S366 PolarHBondContact OD2-OG 2.9Å; S366-N368 PolarHBondContact OG-N 2.87Å; S366-N368 PolarHBondContact OG-O 3.24Å; S366-N368 VanDerWaalsContact OG-O 3.08Å |
| 367 | T | 90.9 | Very high | 95.3 | Very high | 156 Ų | 156 | 77 Ų | 77 | 96% | 0.957 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -77.6 | -13.2 | 171.8 | 54.8 | 0 | 0 | 0 | 0 | 111.9 | ||
| 368 | N | 92.9 | Very high | 95.3 | Very high | 82 Ų | 82 | 80 Ų | 80 | 44% | 0.439 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -113.1 | 95.8 | 179 | -176.9 | 22.8 | 0 | 0 | 0 | 109.3 | N142 S366 | N142-N368 VanDerWaalsContact ND2-CG 3.33Å; N142-N368 PolarHBondContact ND2-ND2 3.46Å; N142-N368 PolarHBondContact ND2-OD1 2.92Å; S366-N368 PolarHBondContact OG-N 2.87Å; S366-N368 PolarHBondContact OG-O 3.24Å; S366-N368 VanDerWaalsContact OG-O 3.08Å |
| 369 | S | 95.6 | Very high | 95.4 | Very high | 28 Ų | 28 | 73.3 Ų | 73.3 | 20% | 0.196 | 39% | 0.393 | C | S | . | . | trans | -149.9 | 147.6 | -178.2 | 174.2 | 0 | 0 | 0 | 0 | 110.6 | L140 V371 | L140-S369 WeakPolarHBondContact O-CA 3.46Å; L140-S369 WeakPolarHBondContact O-CB 3.35Å; L140-S369 PolarHBondContact O-OG 3.06Å; S369-V371 VanDerWaalsContact C-N 3.28Å; S369-V371 WeakPolarHBondContact OG-CB 3.15Å; S369-V371 VanDerWaalsContact OG-CG2 3.24Å; S369-V371 WeakPolarHBondContact OG-CG2 3.29Å; S369-V371 PolarHBondContact OG-N 3.47Å; S369-V371 VanDerWaalsContact OG-N 3.09Å | ||
| 370 | N | 97.7 | Very high | 95.4 | Very high | 65 Ų | 65 | 73.3 Ų | 73.3 | 35% | 0.348 | 39% | 0.391 | S | S | . | . | trans | -87.2 | 6.4 | 172.4 | -67.7 | -33 | 0 | 0 | 0 | 112.7 | Y139 L140 T372 | Y139-N370 HydrophobicContact CE1-CB 4.2Å; Y139-N370 PolarHBondContact O-ND2 2.9Å; L140-N370 PolarHBondContact O-N 3.3Å; N370-T372 PolarHBondContact O-N 3.24Å | ||
| 371 | V | 97.6 | Very high | 95.5 | Very high | 7 Ų | 7 | 78 Ų | 78 | 4% | 0.042 | 41% | 0.409 | C | S | . | . | trans | -78.6 | 119.1 | 178.4 | 176.1 | 0 | 0 | 0 | 0 | 110 | S20 K21 K23 L140 S369 M375 K376 | S20-V371 VanDerWaalsContact O-CG2 3.26Å; S20-V371 WeakPolarHBondContact O-CG2 3.33Å; K21-V371 WeakPolarHBondContact O-CG1 3.18Å; K23-V371 WeakPolarHBondContact CE-O 3.16Å; K23-V371 HydrophobicContact CG-CB 3.91Å; K23-V371 HydrophobicContact CG-CG1 4.13Å; K23-V371 HydrophobicContact CG-CG2 4.35Å; K23-V371 PolarHBondContact NZ-O 3.18Å; L140-V371 HydrophobicContact CB-CG2 3.97Å; L140-V371 HydrophobicContact CD2-CG2 3.99Å; L140-V371 HydrophobicContact CG-CG2 4.44Å; S369-V371 VanDerWaalsContact C-N 3.28Å; S369-V371 WeakPolarHBondContact OG-CB 3.15Å; S369-V371 VanDerWaalsContact OG-CG2 3.24Å; S369-V371 WeakPolarHBondContact OG-CG2 3.29Å; S369-V371 PolarHBondContact OG-N 3.47Å; S369-V371 VanDerWaalsContact OG-N 3.09Å; V371-M375 HydrophobicContact CG1-CB 4.09Å; V371-K376 HydrophobicContact CG1-CB 3.95Å | ||
| 372 | T | 96.9 | Very high | 95.7 | Very high | 74 Ų | 74 | 74.7 Ų | 74.7 | 45% | 0.454 | 39% | 0.39 | S | S | . | . | trans | -72.7 | 159.3 | 171.4 | 71.4 | 0 | 0 | 0 | 0 | 111 | N370 Q374 M375 K376 | N370-T372 PolarHBondContact O-N 3.24Å; T372-Q374 PolarHBondContact O-N 2.93Å; T372-M375 HydrophobicContact CG2-SD 4.05Å; T372-M375 PolarHBondContact O-N 2.81Å; T372-M375 VanDerWaalsContact OG1-CG 3.23Å; T372-M375 WeakPolarHBondContact OG1-CG 3.31Å; T372-M375 PolarHBondContact OG1-N 3.31Å; T372-K376 PolarHBondContact O-N 3.39Å; T372-K376 VanDerWaalsContact O-N 3.11Å | ||
| 373 | D | 95.8 | Very high | 96 | Very high | 120 Ų | 120 | 67.9 Ų | 67.9 | 64% | 0.642 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -64.1 | -31.8 | 178.5 | -64.1 | -26.9 | 0 | 0 | 0 | 112 | K23 K376 L377 | K23-D373 IonicContact NZ-OD1 3.29Å; K23-D373 PolarHBondContact NZ-OD1 2.97Å; D373-K376 PolarHBondContact O-N 2.93Å; D373-L377 WeakPolarHBondContact O-CB 3.13Å; D373-L377 PolarHBondContact O-N 3.02Å |
| 374 | Q | 97.8 | Very high | 96.3 | Very high | 108 Ų | 108 | 71.3 Ų | 71.3 | 51% | 0.505 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -64.5 | -48.1 | 173.5 | -171.4 | 60.4 | 50 | 0 | 0 | 112 | T372 K376 L377 D378 | T372-Q374 PolarHBondContact O-N 2.93Å; Q374-K376 VanDerWaalsContact C-N 3.26Å; Q374-K376 PolarHBondContact O-N 3.39Å; Q374-L377 PolarHBondContact O-N 3.46Å; Q374-L377 VanDerWaalsContact O-N 3.14Å; Q374-D378 PolarHBondContact NE2-OD1 3.32Å; Q374-D378 PolarHBondContact NE2-OD2 3.32Å; Q374-D378 VanDerWaalsContact O-CG 3.26Å; Q374-D378 PolarHBondContact O-N 2.96Å |
| 375 | M | 97.2 | Very high | 96.5 | Very high | 59 Ų | 59 | 68.7 Ų | 68.7 | 29% | 0.291 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -58.2 | -40.9 | 177.4 | -70.8 | 166.3 | 72.5 | 0 | 0 | 111.9 | L140 V371 T372 E379 | L140-M375 HydrophobicContact CD2-CE 3.44Å; L140-M375 VanDerWaalsContact CD2-CE 3.44Å; V371-M375 HydrophobicContact CG1-CB 4.09Å; T372-M375 HydrophobicContact CG2-SD 4.05Å; T372-M375 PolarHBondContact O-N 2.81Å; T372-M375 VanDerWaalsContact OG1-CG 3.23Å; T372-M375 WeakPolarHBondContact OG1-CG 3.31Å; T372-M375 PolarHBondContact OG1-N 3.31Å; M375-E379 WeakPolarHBondContact O-CB 3.38Å; M375-E379 PolarHBondContact O-N 2.92Å; M375-E379 VanDerWaalsContact O-N 3.1Å |
| 376 | K | 97.5 | Very high | 96.7 | Very high | 45 Ų | 45 | 65.1 Ų | 65.1 | 20% | 0.196 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -65.1 | -44 | 177.5 | -177.8 | -179.2 | 168.8 | -171.6 | 0 | 111.3 | V371 T372 D373 Q374 E380 | V371-K376 HydrophobicContact CG1-CB 3.95Å; T372-K376 PolarHBondContact O-N 3.39Å; T372-K376 VanDerWaalsContact O-N 3.11Å; D373-K376 PolarHBondContact O-N 2.93Å; Q374-K376 VanDerWaalsContact C-N 3.26Å; Q374-K376 PolarHBondContact O-N 3.39Å; K376-E380 WeakPolarHBondContact O-CB 3.22Å; K376-E380 PolarHBondContact O-N 3.39Å |
| 377 | L | 98 | Very high | 96.9 | Very high | 99 Ų | 99 | 65.4 Ų | 65.4 | 52% | 0.518 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64.6 | -43.7 | 178.8 | -178.4 | 64.9 | 0 | 0 | 0 | 111.9 | D373 Q374 E380 K381 | D373-L377 WeakPolarHBondContact O-CB 3.13Å; D373-L377 PolarHBondContact O-N 3.02Å; Q374-L377 PolarHBondContact O-N 3.46Å; Q374-L377 VanDerWaalsContact O-N 3.14Å; L377-E380 PolarHBondContact O-N 3.05Å; L377-K381 PolarHBondContact O-N 3.11Å |
| 378 | D | 98 | Very high | 97.1 | Very high | 84 Ų | 84 | 65.3 Ų | 65.3 | 45% | 0.449 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -63.2 | -43.5 | 178.8 | -67.8 | -25.2 | 0 | 0 | 0 | 111.3 | Q374 K381 A382 | Q374-D378 PolarHBondContact NE2-OD1 3.32Å; Q374-D378 PolarHBondContact NE2-OD2 3.32Å; Q374-D378 VanDerWaalsContact O-CG 3.26Å; Q374-D378 PolarHBondContact O-N 2.96Å; D378-K381 PolarHBondContact O-N 3.25Å; D378-A382 WeakPolarHBondContact O-CB 3.47Å; D378-A382 PolarHBondContact O-N 3.43Å |
| 379 | E | 98.2 | Very high | 97.2 | Very high | 6 Ų | 6 | 64 Ų | 64 | 3% | 0.028 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -68.5 | -36.9 | 176.7 | -177.5 | 60.7 | -148.9 | 0 | 0 | 112 | Y18 K21 R22 R350 M375 A382 Q383 | Y18-E379 WeakPolarHBondContact CD1-OE1 3.4Å; K21-E379 HydrophobicContact CB-CB 4.17Å; K21-E379 HydrophobicContact CB-CG 3.8Å; K21-E379 HydrophobicContact CD-CB 4.34Å; K21-E379 HydrophobicContact CD-CG 4.16Å; R22-E379 HydrophobicContact CG-CG 4.45Å; R350-E379 WeakPolarHBondContact CG-OE1 3.32Å; R350-E379 IonicContact CZ-OE2 3.67Å; R350-E379 IonicContact NE-OE1 3.07Å; R350-E379 PolarHBondContact NE-OE1 3.24Å; R350-E379 VanDerWaalsContact NE-OE1 3.15Å; R350-E379 IonicContact NE-OE2 3.47Å; R350-E379 PolarHBondContact NE-OE2 3.43Å; R350-E379 IonicContact NH2-OE2 2.82Å; R350-E379 PolarHBondContact NH2-OE2 3.09Å; M375-E379 WeakPolarHBondContact O-CB 3.38Å; M375-E379 PolarHBondContact O-N 2.92Å; M375-E379 VanDerWaalsContact O-N 3.1Å; E379-A382 PolarHBondContact O-N 3.23Å; E379-Q383 HydrophobicContact CG-CG 4.46Å; E379-Q383 WeakPolarHBondContact O-CB 3.23Å; E379-Q383 VanDerWaalsContact O-CG 3.23Å; E379-Q383 WeakPolarHBondContact O-CG 3.31Å; E379-Q383 PolarHBondContact O-N 3.19Å; E379-Q383 WeakPolarHBondContact OE1-CG 3.5Å; E379-Q383 PolarHBondContact OE1-NE2 3.45Å |
| 380 | E | 97.9 | Very high | 96.9 | Very high | 71 Ų | 71 | 67.8 Ų | 67.8 | 33% | 0.332 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60.1 | -47.6 | 173.4 | -176.8 | 162.7 | 170.7 | 0 | 0 | 111.5 | R22 K376 L377 A382 Q383 D384 | R22-E380 IonicContact CZ-OE2 2.58Å; R22-E380 IonicContact NE-OE2 3.68Å; R22-E380 IonicContact NH2-OE1 3.19Å; R22-E380 IonicContact NH2-OE2 2.71Å; R22-E380 PolarHBondContact NH2-OE2 3.1Å; K376-E380 WeakPolarHBondContact O-CB 3.22Å; K376-E380 PolarHBondContact O-N 3.39Å; L377-E380 PolarHBondContact O-N 3.05Å; E380-A382 VanDerWaalsContact C-N 3.34Å; E380-A382 PolarHBondContact O-N 3.19Å; E380-Q383 PolarHBondContact O-N 2.94Å; E380-D384 PolarHBondContact O-N 3.48Å |
| 381 | K | 98.3 | Very high | 96.5 | Very high | 136 Ų | 136 | 65.3 Ų | 65.3 | 59% | 0.591 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -60.7 | -41.9 | 175.1 | -175.4 | -178.8 | 178.9 | -176.6 | 0 | 112.2 | L377 D378 Q383 D384 N385 | L377-K381 PolarHBondContact O-N 3.11Å; D378-K381 PolarHBondContact O-N 3.25Å; K381-Q383 VanDerWaalsContact C-N 3.33Å; K381-D384 PolarHBondContact O-N 2.9Å; K381-N385 WeakPolarHBondContact O-CB 3.45Å; K381-N385 PolarHBondContact O-N 3.03Å; K381-N385 PolarHBondContact O-ND2 3.4Å |
| 382 | A | 98.1 | Very high | 96.3 | Very high | 27 Ų | 27 | 66.3 Ų | 66.3 | 22% | 0.223 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63.3 | -40.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | D378 E379 E380 L386 | D378-A382 WeakPolarHBondContact O-CB 3.47Å; D378-A382 PolarHBondContact O-N 3.43Å; E379-A382 PolarHBondContact O-N 3.23Å; E380-A382 VanDerWaalsContact C-N 3.34Å; E380-A382 PolarHBondContact O-N 3.19Å; A382-L386 WeakPolarHBondContact O-CB 3.24Å; A382-L386 PolarHBondContact O-N 2.82Å |
| 383 | Q | 98.3 | Very high | 96 | Very high | 2 Ų | 2 | 68.3 Ų | 68.3 | 1% | 0.009 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -67.2 | -44.6 | 176.9 | -75.1 | 174 | 7.4 | 0 | 0 | 112 | R350 A354 E379 E380 K381 L386 L387 | R350-Q383 HydrophobicContact CG-CG 4.03Å; A354-Q383 HydrophobicContact CB-CB 3.62Å; A354-Q383 HydrophobicContact CB-CG 3.92Å; E379-Q383 HydrophobicContact CG-CG 4.46Å; E379-Q383 WeakPolarHBondContact O-CB 3.23Å; E379-Q383 VanDerWaalsContact O-CG 3.23Å; E379-Q383 WeakPolarHBondContact O-CG 3.31Å; E379-Q383 PolarHBondContact O-N 3.19Å; E379-Q383 WeakPolarHBondContact OE1-CG 3.5Å; E379-Q383 PolarHBondContact OE1-NE2 3.45Å; E380-Q383 PolarHBondContact O-N 2.94Å; K381-Q383 VanDerWaalsContact C-N 3.33Å; Q383-L386 WeakPolarHBondContact O-CB 3.45Å; Q383-L386 PolarHBondContact O-N 3.17Å; Q383-L387 WeakPolarHBondContact O-CG 3.29Å; Q383-L387 PolarHBondContact O-N 2.76Å |
| 384 | D | 98.1 | Very high | 95.9 | Very high | 85 Ų | 85 | 65.3 Ų | 65.3 | 46% | 0.455 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -62.2 | -45.9 | 176.4 | -73.6 | -17 | 0 | 0 | 0 | 111.2 | E380 K381 L386 L387 Q388 | E380-D384 PolarHBondContact O-N 3.48Å; K381-D384 PolarHBondContact O-N 2.9Å; D384-L386 PolarHBondContact O-N 3.08Å; D384-L387 PolarHBondContact O-N 2.86Å; D384-Q388 WeakPolarHBondContact O-CG 3.26Å; D384-Q388 PolarHBondContact O-N 2.82Å |
| 385 | N | 97.3 | Very high | 95.8 | Very high | 88 Ų | 88 | 60.1 Ų | 60.1 | 47% | 0.471 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -59.3 | -35.3 | 175.5 | -75.5 | -18 | 0 | 0 | 0 | 112.6 | K381 Q388 Q389 | K381-N385 WeakPolarHBondContact O-CB 3.45Å; K381-N385 PolarHBondContact O-N 3.03Å; K381-N385 PolarHBondContact O-ND2 3.4Å; N385-Q388 PolarHBondContact O-N 3.02Å; N385-Q389 WeakPolarHBondContact O-CG 3.48Å; N385-Q389 PolarHBondContact O-NE2 2.7Å |
| 386 | L | 96.5 | Very high | 95.8 | Very high | 5 Ų | 5 | 61.2 Ų | 61.2 | 3% | 0.026 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -72 | -37 | 178.3 | -174.1 | 56.3 | 0 | 0 | 0 | 111.9 | K62 I347 R350 L351 A382 Q383 D384 Q388 Q389 | K62-L386 HydrophobicContact CD-CD1 3.76Å; I347-L386 HydrophobicContact CD1-CD1 3.95Å; I347-L386 HydrophobicContact CD1-CD2 3.62Å; I347-L386 HydrophobicContact CD1-CG 4.45Å; I347-L386 HydrophobicContact CG1-CD1 4.26Å; I347-L386 HydrophobicContact CG1-CD2 4.21Å; R350-L386 HydrophobicContact CB-CD2 4.21Å; R350-L386 HydrophobicContact CG-CD2 3.89Å; L351-L386 HydrophobicContact CB-CD2 3.73Å; L351-L386 HydrophobicContact CB-CG 4.3Å; L351-L386 HydrophobicContact CD1-CD2 4.43Å; L351-L386 HydrophobicContact CD1-CG 4.13Å; A382-L386 WeakPolarHBondContact O-CB 3.24Å; A382-L386 PolarHBondContact O-N 2.82Å; Q383-L386 WeakPolarHBondContact O-CB 3.45Å; Q383-L386 PolarHBondContact O-N 3.17Å; D384-L386 PolarHBondContact O-N 3.08Å; L386-Q388 PolarHBondContact O-N 3.22Å; L386-Q389 HydrophobicContact CD1-CG 4.25Å; L386-Q389 WeakPolarHBondContact O-CB 3.3Å; L386-Q389 WeakPolarHBondContact O-CG 3.16Å; L386-Q389 PolarHBondContact O-N 2.76Å |
| 387 | L | 96.7 | Very high | 95.8 | Very high | 27 Ų | 27 | 59 Ų | 59 | 14% | 0.141 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -68.6 | -14.5 | 175.6 | -71.7 | 172.8 | 0 | 0 | 0 | 114.1 | L351 A354 I355 K358 Q383 D384 I392 | L351-L387 HydrophobicContact CD1-CD2 4.16Å; A354-L387 HydrophobicContact CB-CD1 3.77Å; A354-L387 HydrophobicContact CB-CD2 3.94Å; A354-L387 HydrophobicContact CB-CG 3.68Å; I355-L387 HydrophobicContact CG1-CD2 3.84Å; K358-L387 HydrophobicContact CB-CD1 4.43Å; K358-L387 HydrophobicContact CD-CD1 4.13Å; Q383-L387 WeakPolarHBondContact O-CG 3.29Å; Q383-L387 PolarHBondContact O-N 2.76Å; D384-L387 PolarHBondContact O-N 2.86Å; L387-I392 VanDerWaalsContact C-CD1 3.45Å; L387-I392 WeakPolarHBondContact O-CD1 3.2Å |
| 388 | Q | 95.7 | Very high | 95.8 | Very high | 153 Ų | 153 | 56.6 Ų | 56.6 | 72% | 0.715 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.6 | 1.4 | 176.1 | -58.3 | -56 | -26.4 | 0 | 0 | 113.3 | D384 N385 L386 | D384-Q388 WeakPolarHBondContact O-CG 3.26Å; D384-Q388 PolarHBondContact O-N 2.82Å; N385-Q388 PolarHBondContact O-N 3.02Å; L386-Q388 PolarHBondContact O-N 3.22Å |
| 389 | Q | 93.3 | Very high | 95.6 | Very high | 55 Ų | 55 | 56.1 Ų | 56.1 | 26% | 0.257 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -76.8 | 132.6 | -177.9 | -59 | -67 | -51 | 0 | 0 | 110.4 | V58 K62 N385 L386 I392 | V58-Q389 HydrophobicContact CG2-CB 3.79Å; V58-Q389 HydrophobicContact CG2-CG 4.33Å; K62-Q389 HydrophobicContact CD-CG 4.31Å; K62-Q389 VanDerWaalsContact CE-CG 3.48Å; N385-Q389 WeakPolarHBondContact O-CG 3.48Å; N385-Q389 PolarHBondContact O-NE2 2.7Å; L386-Q389 HydrophobicContact CD1-CG 4.25Å; L386-Q389 WeakPolarHBondContact O-CB 3.3Å; L386-Q389 WeakPolarHBondContact O-CG 3.16Å; L386-Q389 PolarHBondContact O-N 2.76Å; Q389-I392 HydrophobicContact CB-CG2 3.99Å; Q389-I392 WeakPolarHBondContact O-CG1 3.37Å; Q389-I392 WeakPolarHBondContact O-CG2 3.38Å |
| 390 | P | 90.3 | Very high | 95.5 | Very high | 107 Ų | 107 | 56.1 Ų | 56.1 | 70% | 0.695 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | 146.6 | 172 | -22.4 | 33 | 0 | 0 | 0 | 111.8 | I392 | P390-I392 VanDerWaalsContact C-N 3.34Å; P390-I392 PolarHBondContact O-N 2.64Å |
| 391 | G | 89 | Confident | 94.9 | Very high | 13 Ų | 13 | 56.4 Ų | 56.4 | 13% | 0.134 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 89.3 | -15 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | E393 L394 | G391-E393 VanDerWaalsContact C-OE2 3.31Å; G391-E393 WeakPolarHBondContact CA-OE1 3.22Å; G391-E393 WeakPolarHBondContact CA-OE2 3.45Å; G391-E393 PolarHBondContact N-OE1 3.42Å; G391-E393 PolarHBondContact N-OE2 3.27Å; G391-E393 PolarHBondContact O-N 3.24Å; G391-L394 VanDerWaalsContact O-CB 3.32Å; G391-L394 WeakPolarHBondContact O-CB 3.36Å; G391-L394 PolarHBondContact O-N 3.44Å; G391-L394 VanDerWaalsContact O-N 3.12Å |
| 392 | I | 92.5 | Very high | 93.6 | Very high | 28 Ų | 28 | 60 Ų | 60 | 14% | 0.144 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -63.8 | -25.6 | 178.5 | 68.3 | 178.3 | 0 | 0 | 0 | 112.6 | L351 L387 Q389 P390 L394 F395 | L351-I392 HydrophobicContact CD1-CD1 4.45Å; L351-I392 HydrophobicContact CD2-CB 4.47Å; L351-I392 HydrophobicContact CD2-CG2 4.47Å; L387-I392 VanDerWaalsContact C-CD1 3.45Å; L387-I392 WeakPolarHBondContact O-CD1 3.2Å; Q389-I392 HydrophobicContact CB-CG2 3.99Å; Q389-I392 WeakPolarHBondContact O-CG1 3.37Å; Q389-I392 WeakPolarHBondContact O-CG2 3.38Å; P390-I392 VanDerWaalsContact C-N 3.34Å; P390-I392 PolarHBondContact O-N 2.64Å; I392-L394 PolarHBondContact O-N 3.42Å; I392-F395 HydrophobicContact CB-CD2 4.42Å; I392-F395 WeakPolarHBondContact O-CD2 3.45Å; I392-F395 PolarHBondContact O-N 3.31Å; I392-F395 VanDerWaalsContact O-N 3.14Å |
| 393 | E | 92.4 | Very high | 93.4 | Very high | 117 Ų | 117 | 61.7 Ų | 61.7 | 55% | 0.547 | 32% | 0.317 | S | S | . | . | G | 310 helix | trans | -62.8 | -25.4 | 176.9 | 68.1 | -74.3 | 173.1 | 0 | 0 | 112.9 | G391 F395 N396 | G391-E393 VanDerWaalsContact C-OE2 3.31Å; G391-E393 WeakPolarHBondContact CA-OE1 3.22Å; G391-E393 WeakPolarHBondContact CA-OE2 3.45Å; G391-E393 PolarHBondContact N-OE1 3.42Å; G391-E393 PolarHBondContact N-OE2 3.27Å; G391-E393 PolarHBondContact O-N 3.24Å; E393-F395 PolarHBondContact O-N 3.18Å; E393-N396 WeakPolarHBondContact O-CB 3.37Å; E393-N396 PolarHBondContact O-N 3.42Å; E393-N396 VanDerWaalsContact O-N 3.12Å |
| 394 | L | 93.3 | Very high | 93.1 | Very high | 56 Ų | 56 | 64.8 Ų | 64.8 | 29% | 0.293 | 33% | 0.333 | S | S | . | . | G | 310 helix | trans | -68.1 | -19.3 | 177.1 | -61.9 | 168.7 | 0 | 0 | 0 | 112.1 | E55 G391 I392 N396 R399 | E55-L394 HydrophobicContact CB-CD1 3.26Å; E55-L394 HydrophobicContact CG-CD1 3.48Å; E55-L394 VanDerWaalsContact CG-CD1 3.48Å; G391-L394 VanDerWaalsContact O-CB 3.32Å; G391-L394 WeakPolarHBondContact O-CB 3.36Å; G391-L394 PolarHBondContact O-N 3.44Å; G391-L394 VanDerWaalsContact O-N 3.12Å; I392-L394 PolarHBondContact O-N 3.42Å; L394-N396 VanDerWaalsContact C-N 3.31Å; L394-R399 VanDerWaalsContact O-CD 3.26Å; L394-R399 WeakPolarHBondContact O-CD 3.42Å; L394-R399 PolarHBondContact O-NE 3.48Å |
| 395 | F | 96 | Very high | 92.9 | Very high | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 33% | 0.326 | C | S | . | . | G | 310 helix | trans | -86.1 | -5.1 | 176.8 | -46.5 | -44.7 | 0 | 0 | 0 | 112.7 | M56 V58 L59 P320 V321 I322 L351 I392 E393 | M56-F395 HydrophobicContact SD-CE1 3.61Å; M56-F395 HydrophobicContact SD-CZ 4.06Å; V58-F395 HydrophobicContact CG1-CE2 4.08Å; V58-F395 HydrophobicContact CG1-CZ 4.21Å; L59-F395 HydrophobicContact CD1-CD2 4.02Å; L59-F395 HydrophobicContact CD1-CE1 4.1Å; L59-F395 HydrophobicContact CD1-CE2 3.51Å; L59-F395 HydrophobicContact CD1-CZ 3.55Å; L59-F395 HydrophobicContact CD2-CE2 4.05Å; L59-F395 HydrophobicContact CG-CD2 4.41Å; L59-F395 HydrophobicContact CG-CE2 3.57Å; L59-F395 HydrophobicContact CG-CZ 3.77Å; P320-F395 HydrophobicContact CG-CD1 3.47Å; P320-F395 VanDerWaalsContact CG-CD1 3.47Å; P320-F395 HydrophobicContact CG-CE1 3.7Å; P320-F395 HydrophobicContact CG-CG 4.19Å; P320-F395 WeakPolarHBondContact O-CA 3.49Å; V321-F395 CarbonylContact C-O 3.59Å; V321-F395 WeakPolarHBondContact CA-O 3.46Å; I322-F395 HydrophobicContact CB-CB 4.03Å; I322-F395 HydrophobicContact CD1-CB 4.39Å; I322-F395 HydrophobicContact CD1-CD2 4.5Å; I322-F395 HydrophobicContact CD1-CG 4.43Å; I322-F395 HydrophobicContact CG1-CB 4.3Å; I322-F395 PolarHBondContact N-O 2.81Å; L351-F395 HydrophobicContact CD2-CD2 4.04Å; I392-F395 HydrophobicContact CB-CD2 4.42Å; I392-F395 WeakPolarHBondContact O-CD2 3.45Å; I392-F395 PolarHBondContact O-N 3.31Å; I392-F395 VanDerWaalsContact O-N 3.14Å; E393-F395 PolarHBondContact O-N 3.18Å |
| 396 | N | 96.9 | Very high | 92.6 | Very high | 81 Ų | 81 | 62.2 Ų | 62.2 | 43% | 0.433 | 32% | 0.318 | S | S | . | . | trans | -63.3 | 125.2 | -176.9 | -171.8 | -34.3 | 0 | 0 | 0 | 111.4 | E393 L394 A398 R399 | E393-N396 WeakPolarHBondContact O-CB 3.37Å; E393-N396 PolarHBondContact O-N 3.42Å; E393-N396 VanDerWaalsContact O-N 3.12Å; L394-N396 VanDerWaalsContact C-N 3.31Å; N396-A398 PolarHBondContact O-N 2.89Å; N396-A398 VanDerWaalsContact OD1-CB 3.32Å; N396-A398 WeakPolarHBondContact OD1-CB 3.43Å; N396-A398 PolarHBondContact OD1-N 3.04Å; N396-R399 WeakPolarHBondContact O-CG 3.18Å; N396-R399 PolarHBondContact O-N 2.78Å | ||
| 397 | P | 98 | Very high | 92.4 | Very high | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 34% | 0.336 | C | S | . | . | G | 310 helix | trans | -59.2 | -19.9 | -179.5 | -21.3 | 30.9 | 0 | 0 | 0 | 115.3 | L208 V321 Q324 I333 R399 L400 | L208-P397 HydrophobicContact CD2-CB 4.04Å; L208-P397 WeakPolarHBondContact CD2-O 3.19Å; V321-P397 HydrophobicContact CG1-CB 3.6Å; V321-P397 HydrophobicContact CG1-CG 3.54Å; Q324-P397 WeakPolarHBondContact O-CG 3.4Å; I333-P397 HydrophobicContact CG2-CB 4.2Å; I333-P397 HydrophobicContact CG2-CG 3.68Å; P397-R399 PolarHBondContact O-N 3.45Å; P397-L400 PolarHBondContact O-N 3.35Å |
| 398 | A | 96.1 | Very high | 92.1 | Very high | 48 Ų | 48 | 68.4 Ų | 68.4 | 40% | 0.397 | 35% | 0.349 | S | S | . | . | G | 310 helix | trans | -56.2 | -23.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | P326 N396 L400 I401 | P326-A398 HydrophobicContact CG-CB 4.19Å; N396-A398 PolarHBondContact O-N 2.89Å; N396-A398 VanDerWaalsContact OD1-CB 3.32Å; N396-A398 WeakPolarHBondContact OD1-CB 3.43Å; N396-A398 PolarHBondContact OD1-N 3.04Å; A398-L400 PolarHBondContact O-N 2.62Å; A398-I401 HydrophobicContact CB-CD1 4.4Å; A398-I401 WeakPolarHBondContact O-CD1 3Å; A398-I401 WeakPolarHBondContact O-CG1 3.13Å |
| 399 | R | 95.3 | Very high | 91.8 | Very high | 74 Ų | 74 | 62.4 Ų | 62.4 | 28% | 0.279 | 32% | 0.323 | S | S | . | . | G | 310 helix | trans | -67.8 | -15.3 | 175.9 | 73.6 | -173.2 | 163.4 | 66.1 | -7.5 | 114.2 | D317 Y319 P320 L394 N396 P397 | D317-R399 IonicContact OD1-CZ 3.15Å; D317-R399 IonicContact OD1-NH1 2.68Å; D317-R399 PolarHBondContact OD1-NH1 2.93Å; D317-R399 IonicContact OD1-NH2 2.96Å; D317-R399 IonicContact OD2-CZ 3.18Å; D317-R399 VanDerWaalsContact OD2-CZ 3.29Å; D317-R399 IonicContact OD2-NE 3.93Å; D317-R399 IonicContact OD2-NH1 3.58Å; D317-R399 PolarHBondContact OD2-NH1 3.31Å; Y319-R399 PolarHBondContact O-NH2 3.06Å; P320-R399 VanDerWaalsContact C-NH2 3.35Å; P320-R399 PolarHBondContact O-NH2 3.11Å; L394-R399 VanDerWaalsContact O-CD 3.26Å; L394-R399 WeakPolarHBondContact O-CD 3.42Å; L394-R399 PolarHBondContact O-NE 3.48Å; N396-R399 WeakPolarHBondContact O-CG 3.18Å; N396-R399 PolarHBondContact O-N 2.78Å; P397-R399 PolarHBondContact O-N 3.45Å |
| 400 | L | 94.6 | Very high | 91.7 | Very high | 5 Ų | 5 | 62.9 Ų | 62.9 | 3% | 0.026 | 33% | 0.328 | C | S | . | . | G | 310 helix | trans | -106.6 | 14.7 | -173.4 | -64.6 | -174.8 | 0 | 0 | 0 | 114.8 | L208 N209 K212 F213 V315 V321 P397 A398 K402 | L208-L400 HydrophobicContact CD2-CB 3.89Å; N209-L400 PolarHBondContact N-O 2.84Å; N209-L400 VanDerWaalsContact N-O 3.1Å; K212-L400 HydrophobicContact CB-CD1 4.29Å; K212-L400 HydrophobicContact CB-CD2 4.07Å; K212-L400 HydrophobicContact CD-CD2 4.36Å; K212-L400 HydrophobicContact CG-CD2 4.05Å; F213-L400 HydrophobicContact CE1-CD1 4.36Å; F213-L400 HydrophobicContact CE2-CD1 4.09Å; F213-L400 HydrophobicContact CZ-CD1 3.69Å; V315-L400 HydrophobicContact CG1-CD1 3.63Å; V315-L400 HydrophobicContact CG1-CD2 4.15Å; V315-L400 HydrophobicContact CG1-CG 4.48Å; V321-L400 HydrophobicContact CG2-CD1 3.32Å; V321-L400 HydrophobicContact CG2-CG 4.41Å; P397-L400 PolarHBondContact O-N 3.35Å; A398-L400 PolarHBondContact O-N 2.62Å; L400-K402 VanDerWaalsContact C-N 3.28Å; L400-K402 PolarHBondContact O-N 3.29Å |
| 401 | I | 86.9 | Confident | 91.8 | Very high | 78 Ų | 78 | 59.3 Ų | 59.3 | 40% | 0.4 | 30% | 0.298 | S | S | . | . | trans | -68.9 | -29 | 178.2 | -61.5 | 168.4 | 0 | 0 | 0 | 111.5 | P326 A398 | P326-I401 HydrophobicContact CB-CD1 3.52Å; P326-I401 HydrophobicContact CB-CG1 3.83Å; P326-I401 HydrophobicContact CG-CD1 3.67Å; P326-I401 HydrophobicContact CG-CG1 3.68Å; A398-I401 HydrophobicContact CB-CD1 4.4Å; A398-I401 WeakPolarHBondContact O-CD1 3Å; A398-I401 WeakPolarHBondContact O-CG1 3.13Å | ||
| 402 | K | 71 | Confident | 92.1 | Very high | 211 Ų | 211 | 63.5 Ų | 63.5 | 92% | 0.917 | 31% | 0.312 | S | S | * | . | trans | -91.2 | 0 | -176.6 | -64.3 | -176.8 | -179.6 | 179.2 | 0 | 112.9 | N209 K212 L400 | N209-K402 PolarHBondContact ND2-OXT 3.47Å; K212-K402 WeakPolarHBondContact CE-O 3.18Å; K212-K402 PolarHBondContact NZ-O 3.4Å; L400-K402 VanDerWaalsContact C-N 3.28Å; L400-K402 PolarHBondContact O-N 3.29Å |
Retrieved 402 of 402 residues in 146.7 ms
(Link to these results)