| 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 | 50.2 | Low | 66.4 | Low | 119 Ų | 119 | 34.1 Ų | 34.1 | 59% | 0.586 | 16% | 0.159 | S | C | * | . | 0 | 125.3 | 0 | -77.9 | -171.7 | -130.9 | 0 | 0 | 106.9 | V324 D325 L839 | M1-V324 HydrophobicContact CB-CG1 4.48Å; M1-V324 HydrophobicContact SD-CG1 4.33Å; M1-D325 CarbonylContact C-O 3.07Å; M1-D325 WeakPolarHBondContact CA-O 3.25Å; M1-L839 HydrophobicContact CE-CD1 3.94Å; M1-L839 HydrophobicContact SD-CD1 4.05Å | |||
| 2 | L | 49.5 | Very low | 67.9 | Low | 21 Ų | 21 | 31.3 Ų | 31.3 | 11% | 0.11 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 130.4 | 177.2 | -154.4 | 132.9 | 0 | 0 | 0 | 107.5 | I4 E60 D325 V327 Q744 | L2-I4 HydrophobicContact CD2-CD1 4.14Å; L2-I4 HydrophobicContact CD2-CG1 3.72Å; L2-E60 HydrophobicContact CD2-CB 4.25Å; L2-E60 HydrophobicContact CD2-CG 4.29Å; L2-D325 PolarHBondContact N-O 2.91Å; L2-D325 PolarHBondContact O-N 2.87Å; L2-V327 HydrophobicContact CB-CG2 4.47Å; L2-Q744 HydrophobicContact CD1-CG 4.26Å |
| 3 | F | 56 | Low | 69.2 | Low | 22 Ų | 22 | 40.8 Ų | 40.8 | 10% | 0.096 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 118.1 | -176.4 | -63.3 | -69.6 | 0 | 0 | 0 | 107.8 | L61 N64 Y322 V324 | F3-L61 HydrophobicContact CB-CB 3.78Å; F3-L61 HydrophobicContact CB-CD1 4.28Å; F3-L61 WeakPolarHBondContact CB-O 2.88Å; F3-L61 PolarHBondContact N-O 3Å; F3-L61 WeakPolarHBondContact O-CA 3.24Å; F3-L61 WeakPolarHBondContact O-CB 3.4Å; F3-L61 PolarHBondContact O-N 2.78Å; F3-N64 HydrophobicContact CE2-CB 4.36Å; F3-Y322 HydrophobicContact CB-CE2 4.11Å; F3-Y322 HydrophobicContact CD1-CE2 4.27Å; F3-Y322 AromaticContact CD1-CZ 3.88Å; F3-Y322 WeakPolarHBondContact CD1-OH 3.15Å; F3-Y322 WeakPolarHBondContact CE1-OH 3.29Å; F3-V324 HydrophobicContact CD1-CB 4.2Å; F3-V324 HydrophobicContact CD1-CG1 3.73Å; F3-V324 HydrophobicContact CD1-CG2 3.74Å; F3-V324 HydrophobicContact CE1-CB 4.43Å; F3-V324 HydrophobicContact CE1-CG1 3.68Å; F3-V324 HydrophobicContact CE1-CG2 3.97Å |
| 4 | I | 55.5 | Low | 69.7 | Low | 14 Ų | 14 | 40.6 Ų | 40.6 | 7% | 0.072 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 129.8 | -179.9 | -58.4 | -167.4 | 0 | 0 | 0 | 108.8 | L2 H58 E60 Y322 T323 D325 | L2-I4 HydrophobicContact CD2-CD1 4.14Å; L2-I4 HydrophobicContact CD2-CG1 3.72Å; I4-H58 WeakPolarHBondContact CG2-CE1 3.33Å; I4-E60 HydrophobicContact CG1-CG 4.48Å; I4-Y322 WeakPolarHBondContact O-CD2 3.36Å; I4-T323 WeakPolarHBondContact CB-OG1 3.47Å; I4-T323 PolarHBondContact N-O 2.84Å; I4-T323 PolarHBondContact O-N 3.23Å; I4-D325 WeakPolarHBondContact CD1-OD2 3.44Å |
| 5 | F | 63.1 | Low | 70.3 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 133.2 | -179.9 | -164.4 | -82.8 | 0 | 0 | 0 | 110.4 | W7 F59 L61 F65 L68 I94 L320 Y322 | F5-W7 AromaticContact CD1-CD1 3.83Å; F5-W7 HydrophobicContact CE1-CB 3.83Å; F5-W7 AromaticContact CE1-CD1 3.72Å; F5-W7 HydrophobicContact CE1-CG 4.05Å; F5-F59 HydrophobicContact CB-CD1 4.49Å; F5-F59 HydrophobicContact CB-CD2 3.65Å; F5-F59 HydrophobicContact CB-CE1 4.15Å; F5-F59 HydrophobicContact CB-CE2 3.22Å; F5-F59 HydrophobicContact CB-CG 4.28Å; F5-F59 HydrophobicContact CB-CZ 3.51Å; F5-F59 HydrophobicContact CD1-CD1 4.18Å; F5-F59 AromaticContact CD1-CE1 3.27Å; F5-F59 HydrophobicContact CD1-CE1 3.27Å; F5-F59 AromaticContact CD1-CE2 3.7Å; F5-F59 HydrophobicContact CD1-CE2 3.7Å; F5-F59 AromaticContact CD1-CZ 2.96Å; F5-F59 HydrophobicContact CD1-CZ 2.96Å; F5-F59 HydrophobicContact CD2-CZ 4.36Å; F5-F59 HydrophobicContact CE1-CE1 4.04Å; F5-F59 AromaticContact CE1-CZ 3.78Å; F5-F59 HydrophobicContact CE1-CZ 3.78Å; F5-F59 HydrophobicContact CG-CD2 4.41Å; F5-F59 HydrophobicContact CG-CE1 4.03Å; F5-F59 AromaticContact CG-CE2 3.58Å; F5-F59 HydrophobicContact CG-CE2 3.58Å; F5-F59 AromaticContact CG-CZ 3.34Å; F5-F59 HydrophobicContact CG-CZ 3.34Å; F5-F59 PolarHBondContact N-O 2.86Å; F5-F59 PolarHBondContact O-N 2.99Å; F5-F59 VanDerWaalsContact O-O 3.11Å; F5-L61 HydrophobicContact CB-CD1 4.15Å; F5-F65 HydrophobicContact CD2-CZ 4.15Å; F5-F65 HydrophobicContact CE2-CZ 4.37Å; F5-L68 HydrophobicContact CE1-CD2 3.45Å; F5-L68 VanDerWaalsContact CE1-CD2 3.45Å; F5-L68 HydrophobicContact CE2-CD2 3.75Å; F5-L68 HydrophobicContact CZ-CD2 3.02Å; F5-L68 HydrophobicContact CZ-CG 4.41Å; F5-I94 HydrophobicContact CE2-CD1 3.64Å; F5-I94 HydrophobicContact CE2-CG2 3.92Å; F5-I94 HydrophobicContact CZ-CD1 4.26Å; F5-I94 HydrophobicContact CZ-CG2 4.34Å; F5-L320 HydrophobicContact CE1-CD2 4.39Å; F5-L320 HydrophobicContact CZ-CB 4.35Å; F5-L320 HydrophobicContact CZ-CD2 4.12Å; F5-Y322 HydrophobicContact CB-CD2 4.41Å; F5-Y322 AromaticContact CD2-CD2 3.6Å; F5-Y322 HydrophobicContact CD2-CD2 3.6Å; F5-Y322 HydrophobicContact CD2-CG 4.05Å; F5-Y322 HydrophobicContact CE2-CD2 4.36Å; F5-Y322 HydrophobicContact CE2-CG 4.4Å; F5-Y322 HydrophobicContact CG-CD2 4.49Å |
| 6 | R | 65.8 | Low | 70.2 | Confident | 93 Ų | 93 | 44.8 Ų | 44.8 | 35% | 0.351 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 140.8 | 172.1 | -171.6 | -178.5 | 176 | -170.8 | -1.3 | 109.4 | D56 L57 L320 R321 | R6-D56 IonicContact CZ-OD1 3.75Å; R6-D56 IonicContact CZ-OD2 2.68Å; R6-D56 IonicContact NE-OD1 3.73Å; R6-D56 PolarHBondContact NE-OD1 3.1Å; R6-D56 IonicContact NE-OD2 3.18Å; R6-D56 IonicContact NH2-OD1 2.79Å; R6-D56 IonicContact NH2-OD2 3.7Å; R6-D56 PolarHBondContact NH2-OD2 2.78Å; R6-L57 CarbonylContact C-O 3.48Å; R6-L57 VanDerWaalsContact CA-O 3.26Å; R6-L57 WeakPolarHBondContact CA-O 3.35Å; R6-L57 WeakPolarHBondContact CG-O 3.22Å; R6-L320 CarbonylContact O-C 3.56Å; R6-R321 HydrophobicContact CB-CB 4.29Å; R6-R321 PolarHBondContact N-O 2.83Å; R6-R321 PolarHBondContact O-N 2.78Å; R6-R321 VanDerWaalsContact O-O 3.06Å |
| 7 | W | 73.1 | Confident | 69.8 | Low | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.008 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 152.3 | 170.4 | 58.8 | -70.4 | 0 | 0 | 0 | 111.5 | F5 L9 V32 F40 T42 L57 F59 F70 Q319 L320 | F5-W7 AromaticContact CD1-CD1 3.83Å; F5-W7 HydrophobicContact CE1-CB 3.83Å; F5-W7 AromaticContact CE1-CD1 3.72Å; F5-W7 HydrophobicContact CE1-CG 4.05Å; W7-L9 HydrophobicContact CE3-CB 3.78Å; W7-L9 HydrophobicContact CZ3-CB 3.4Å; W7-L9 VanDerWaalsContact CZ3-CB 3.4Å; W7-L9 HydrophobicContact CZ3-CD2 4.24Å; W7-L9 HydrophobicContact CZ3-CG 4.46Å; W7-V32 HydrophobicContact CH2-CB 4.47Å; W7-V32 HydrophobicContact CH2-CG2 3.27Å; W7-V32 HydrophobicContact CZ2-CB 4.09Å; W7-V32 HydrophobicContact CZ2-CG1 4.43Å; W7-V32 HydrophobicContact CZ2-CG2 3.31Å; W7-V32 HydrophobicContact CZ3-CG2 4.01Å; W7-F40 AromaticContact CH2-CD1 3.66Å; W7-F40 HydrophobicContact CH2-CD1 3.66Å; W7-F40 HydrophobicContact CH2-CE1 4.07Å; W7-F40 HydrophobicContact CZ2-CB 4.18Å; W7-F40 AromaticContact CZ2-CD1 3.52Å; W7-F40 HydrophobicContact CZ2-CD1 3.52Å; W7-F40 HydrophobicContact CZ2-CE1 4.2Å; W7-F40 HydrophobicContact CZ2-CG 4.02Å; W7-T42 HydrophobicContact CH2-CG2 4.24Å; W7-L57 HydrophobicContact CD2-CB 4.35Å; W7-L57 HydrophobicContact CD2-CD1 4.45Å; W7-L57 HydrophobicContact CH2-CD1 3.4Å; W7-L57 HydrophobicContact CZ2-CB 4.05Å; W7-L57 HydrophobicContact CZ2-CD1 3.11Å; W7-L57 HydrophobicContact CZ2-CG 4.18Å; W7-L57 HydrophobicContact CZ3-CD1 4.16Å; W7-L57 PolarHBondContact N-O 3.13Å; W7-L57 PolarHBondContact O-N 3.2Å; W7-F59 AromaticContact CD1-CD1 3.95Å; W7-F59 AromaticContact CD1-CE1 3.33Å; W7-F59 AromaticContact NE1-CD1 3.72Å; W7-F59 AromaticContact NE1-CE1 3.25Å; W7-F70 HydrophobicContact CB-CZ 4.36Å; W7-F70 AromaticContact CD2-CE1 3.67Å; W7-F70 HydrophobicContact CD2-CE1 3.67Å; W7-F70 HydrophobicContact CD2-CZ 4.14Å; W7-F70 HydrophobicContact CE3-CD1 4.35Å; W7-F70 AromaticContact CE3-CE1 3.45Å; W7-F70 HydrophobicContact CE3-CE1 3.45Å; W7-F70 VanDerWaalsContact CE3-CE1 3.45Å; W7-F70 HydrophobicContact CE3-CZ 4.22Å; W7-F70 HydrophobicContact CG-CE1 4.24Å; W7-F70 HydrophobicContact CG-CZ 4.22Å; W7-F70 HydrophobicContact CH2-CE1 4.24Å; W7-F70 HydrophobicContact CZ2-CE1 4.43Å; W7-F70 HydrophobicContact CZ3-CD1 4.27Å; W7-F70 AromaticContact CZ3-CE1 3.76Å; W7-F70 HydrophobicContact CZ3-CE1 3.76Å; W7-Q319 CarbonylContact C-O 3.58Å; W7-Q319 WeakPolarHBondContact CA-O 3.44Å; W7-L320 HydrophobicContact CB-CD2 3.65Å |
| 8 | I | 74.7 | Confident | 69 | Low | 31 Ų | 31 | 54.8 Ų | 54.8 | 16% | 0.159 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 121.7 | 173.9 | -59.8 | 169.9 | 0 | 0 | 0 | 107.1 | V10 E55 D56 L318 Q319 | I8-V10 HydrophobicContact CG2-CG2 4.02Å; I8-E55 CarbonylContact C-O 3.59Å; I8-E55 WeakPolarHBondContact CA-O 3.37Å; I8-D56 HydrophobicContact CD1-CB 4.48Å; I8-D56 HydrophobicContact CG1-CB 3.89Å; I8-D56 WeakPolarHBondContact CG1-OD1 3.48Å; I8-L318 CarbonylContact O-C 3.5Å; I8-L318 WeakPolarHBondContact O-CA 3.26Å; I8-Q319 HydrophobicContact CB-CB 4.16Å; I8-Q319 VanDerWaalsContact CD1-OE1 3.3Å; I8-Q319 PolarHBondContact N-O 2.85Å; I8-Q319 PolarHBondContact O-N 3.05Å |
| 9 | L | 80.3 | Confident | 67.6 | Low | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 112.4 | 168.2 | 169.9 | 70 | 0 | 0 | 0 | 108.4 | W7 C30 T42 F53 G54 E55 L316 L318 | W7-L9 HydrophobicContact CE3-CB 3.78Å; W7-L9 HydrophobicContact CZ3-CB 3.4Å; W7-L9 VanDerWaalsContact CZ3-CB 3.4Å; W7-L9 HydrophobicContact CZ3-CD2 4.24Å; W7-L9 HydrophobicContact CZ3-CG 4.46Å; L9-C30 HydrophobicContact CD2-CB 3.67Å; L9-T42 HydrophobicContact CD2-CG2 3.83Å; L9-F53 HydrophobicContact CD1-CD2 4.32Å; L9-F53 HydrophobicContact CD2-CB 3.88Å; L9-F53 HydrophobicContact CD2-CD1 4.31Å; L9-F53 HydrophobicContact CD2-CD2 3.75Å; L9-F53 HydrophobicContact CD2-CE2 4.4Å; L9-F53 HydrophobicContact CD2-CG 3.71Å; L9-F53 HydrophobicContact CG-CB 3.99Å; L9-F53 HydrophobicContact CG-CD2 3.95Å; L9-F53 HydrophobicContact CG-CG 4.14Å; L9-G54 PolarHBondContact O-N 2.95Å; L9-E55 PolarHBondContact N-O 3.36Å; L9-E55 PolarHBondContact O-N 2.99Å; L9-L316 HydrophobicContact CD1-CB 4.48Å; L9-L316 HydrophobicContact CD1-CD2 4.16Å; L9-L318 HydrophobicContact CB-CD2 3.94Å; L9-L318 HydrophobicContact CD1-CD2 3.47Å; L9-L318 VanDerWaalsContact CD1-CD2 3.47Å; L9-L318 HydrophobicContact CD1-CG 4.46Å; L9-L318 HydrophobicContact CG-CD2 4.28Å |
| 10 | V | 76.6 | Confident | 66.2 | Low | 18 Ų | 18 | 60.4 Ų | 60.4 | 11% | 0.109 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | -63.8 | -175.6 | -174.3 | 0 | 0 | 0 | 0 | 109.3 | I8 Y52 F53 G54 K317 | I8-V10 HydrophobicContact CG2-CG2 4.02Å; V10-Y52 HydrophobicContact CG1-CD2 4.44Å; V10-Y52 HydrophobicContact CG1-CE2 3.88Å; V10-Y52 WeakPolarHBondContact O-CD2 3.47Å; V10-F53 PolarHBondContact O-N 3.08Å; V10-G54 PolarHBondContact O-N 3.06Å; V10-K317 HydrophobicContact CB-CB 4.22Å; V10-K317 HydrophobicContact CB-CD 4.06Å; V10-K317 HydrophobicContact CB-CG 4.2Å; V10-K317 HydrophobicContact CG1-CD 4.2Å; V10-K317 HydrophobicContact CG2-CD 4.34Å; V10-K317 HydrophobicContact CG2-CG 4.34Å; V10-K317 PolarHBondContact N-O 3.23Å; V10-K317 VanDerWaalsContact N-O 3.09Å |
| 11 | E | 85.3 | Confident | 64.7 | Low | 55 Ų | 55 | 60.5 Ų | 60.5 | 26% | 0.257 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.8 | 166.3 | -172.6 | 59.4 | 179.5 | -169.5 | 0 | 0 | 111.8 | P51 Y52 W103 K317 | E11-P51 CarbonylContact C-O 3.58Å; E11-P51 VanDerWaalsContact CA-O 3.29Å; E11-P51 WeakPolarHBondContact CA-O 3.41Å; E11-P51 WeakPolarHBondContact CB-O 3.48Å; E11-Y52 HydrophobicContact CB-CD2 4.13Å; E11-W103 HydrophobicContact CG-CH2 3.68Å; E11-W103 HydrophobicContact CG-CZ2 4.32Å; E11-W103 HydrophobicContact CG-CZ3 4.43Å; E11-W103 VanDerWaalsContact OE1-CH2 3.26Å; E11-W103 WeakPolarHBondContact OE1-CH2 3.36Å; E11-W103 VanDerWaalsContact OE1-CZ2 3.26Å; E11-W103 WeakPolarHBondContact OE1-CZ2 3.45Å; E11-K317 HydrophobicContact CG-CB 4.13Å; E11-K317 HydrophobicContact CG-CD 4.41Å; E11-K317 PolarHBondContact O-N 2.93Å |
| 12 | A | 84.2 | Confident | 64 | Low | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 159.3 | 162.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | L15 N50 P51 F53 L72 S315 L316 | A12-L15 HydrophobicContact CB-CD1 4.04Å; A12-L15 HydrophobicContact CB-CD2 4.5Å; A12-L15 HydrophobicContact CB-CG 4.25Å; A12-N50 CarbonylContact O-C 3.59Å; A12-N50 WeakPolarHBondContact O-CA 3.5Å; A12-P51 HydrophobicContact CB-CG 3.76Å; A12-P51 PolarHBondContact N-O 3.23Å; A12-P51 WeakPolarHBondContact O-CD 3.45Å; A12-F53 HydrophobicContact CB-CE2 4.22Å; A12-L72 HydrophobicContact CB-CD2 4.42Å; A12-S315 CarbonylContact C-O 3.49Å; A12-S315 VanDerWaalsContact CA-O 3.22Å; A12-S315 WeakPolarHBondContact CA-O 3.42Å; A12-L316 HydrophobicContact CB-CD2 3.53Å |
| 13 | R | 85.5 | Confident | 63.6 | Low | 156 Ų | 156 | 65.3 Ų | 65.3 | 59% | 0.589 | 38% | 0.377 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138 | 148.7 | 176.8 | 175.9 | 170 | -174.1 | -173 | 1 | 111.2 | L15 P49 N50 W103 G314 S315 | R13-L15 VanDerWaalsContact C-N 3.33Å; R13-L15 PolarHBondContact O-N 3.41Å; R13-P49 CarbonylContact C-O 3.57Å; R13-N50 WeakPolarHBondContact CA-OD1 3.5Å; R13-N50 WeakPolarHBondContact CG-OD1 3.23Å; R13-W103 HydrophobicContact CB-CE3 4.35Å; R13-W103 HydrophobicContact CB-CH2 3.5Å; R13-W103 HydrophobicContact CB-CZ2 4.5Å; R13-W103 HydrophobicContact CB-CZ3 3.42Å; R13-W103 VanDerWaalsContact CB-CZ3 3.42Å; R13-W103 HydrophobicContact CG-CH2 4.46Å; R13-G314 CarbonylContact O-C 3.58Å; R13-G314 WeakPolarHBondContact O-CA 3.34Å; R13-S315 PolarHBondContact N-O 2.88Å; R13-S315 PolarHBondContact O-N 3.41Å |
| 14 | G | 75.9 | Confident | 63.3 | Low | 38 Ų | 38 | 70.3 Ų | 70.3 | 39% | 0.392 | 41% | 0.412 | S | S | . | . | trans | 70.2 | 27.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | P49 N50 G314 | G14-P49 PolarHBondContact N-O 3.3Å; G14-N50 PolarHBondContact N-OD1 3.46Å; G14-G314 WeakPolarHBondContact O-CA 3.26Å | ||
| 15 | L | 79.3 | Confident | 63.5 | Low | 9 Ų | 9 | 74.7 Ų | 74.7 | 5% | 0.047 | 43% | 0.432 | C | S | . | . | trans | -72.9 | 131.4 | 173.2 | -60 | -177.6 | 0 | 0 | 0 | 109.9 | A12 R13 V17 V28 P49 P51 L72 L84 L106 | A12-L15 HydrophobicContact CB-CD1 4.04Å; A12-L15 HydrophobicContact CB-CD2 4.5Å; A12-L15 HydrophobicContact CB-CG 4.25Å; R13-L15 VanDerWaalsContact C-N 3.33Å; R13-L15 PolarHBondContact O-N 3.41Å; L15-V17 PolarHBondContact O-N 3.2Å; L15-V17 VanDerWaalsContact O-N 3.08Å; L15-V28 HydrophobicContact CD1-CG2 4.4Å; L15-P49 PolarHBondContact N-O 2.85Å; L15-P51 HydrophobicContact CD1-CG 3.49Å; L15-P51 VanDerWaalsContact CD1-CG 3.49Å; L15-L72 HydrophobicContact CD1-CD2 3.78Å; L15-L72 HydrophobicContact CD2-CD2 3.7Å; L15-L72 HydrophobicContact CG-CD2 4.4Å; L15-L84 HydrophobicContact CD1-CD1 4.4Å; L15-L106 HydrophobicContact CD2-CD1 3.7Å | ||
| 16 | L | 68.5 | Low | 63.9 | Low | 138 Ų | 138 | 78.8 Ų | 78.8 | 72% | 0.723 | 45% | 0.451 | S | S | * | . | trans | -67.6 | 109.7 | 176.1 | -68.6 | 170.9 | 0 | 0 | 0 | 110.3 | ||||
| 17 | V | 62.3 | Low | 64.5 | Low | 65 Ų | 65 | 76 Ų | 76 | 39% | 0.394 | 45% | 0.445 | S | S | . | . | P | Polyproline II helix | trans | -91.5 | 122.8 | 167 | -175.2 | 0 | 0 | 0 | 0 | 107 | L15 P19 P49 | L15-V17 PolarHBondContact O-N 3.2Å; L15-V17 VanDerWaalsContact O-N 3.08Å; V17-P19 WeakPolarHBondContact O-CD 3.3Å; V17-P49 HydrophobicContact CG2-CG 3.93Å |
| 18 | R | 56.4 | Low | 65 | Low | 206 Ų | 206 | 75.9 Ų | 75.9 | 78% | 0.777 | 45% | 0.445 | S | S | * | . | P | Polyproline II helix | trans | -62.5 | 122.7 | 176.9 | -80.2 | -177.2 | 178.6 | 176.2 | -4.1 | 108.8 | G20 | R18-G20 PolarHBondContact O-N 3.14Š|
| 19 | P | 41.8 | Very low | 65.4 | Low | 133 Ų | 133 | 78.6 Ų | 78.6 | 86% | 0.864 | 45% | 0.453 | S | S | * | . | S | Bend | trans | -72.3 | 125.7 | 171.7 | 26.8 | -25.9 | 0 | 0 | 0 | 108.4 | V17 | V17-P19 WeakPolarHBondContact O-CD 3.3Š|
| 20 | G | 39.7 | Very low | 65.7 | Low | 87 Ų | 87 | 78.6 Ų | 78.6 | 90% | 0.897 | 45% | 0.453 | S | S | * | . | S | Bend | trans | 114.1 | 37 | 167.1 | 0 | 0 | 0 | 0 | 0 | 118.4 | R18 | R18-G20 PolarHBondContact O-N 3.14Š|
| 21 | G | 35.9 | Very low | 66 | Low | 63 Ų | 63 | 78.2 Ų | 78.2 | 65% | 0.649 | 45% | 0.451 | S | S | * | . | trans | -146.2 | 105.9 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | C23 | G21-C23 PolarHBondContact O-N 3.12Š| ||
| 22 | T | 34.7 | Very low | 66 | Low | 155 Ų | 155 | 75.6 Ų | 75.6 | 95% | 0.951 | 44% | 0.438 | S | S | * | . | trans | -63.7 | 81.4 | 163.9 | 48 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 23 | C | 40.6 | Very low | 65.6 | Low | 86 Ų | 86 | 78 Ų | 78 | 58% | 0.581 | 45% | 0.449 | S | S | * | . | trans | -136.6 | 114.2 | 172.4 | -153 | 0 | 0 | 0 | 0 | 109.6 | G21 E25 | G21-C23 PolarHBondContact O-N 3.12Å; C23-E25 VanDerWaalsContact C-N 3.27Å; C23-E25 PolarHBondContact O-N 3.05Å; C23-E25 VanDerWaalsContact O-N 3.08Å | ||
| 24 | P | 49.2 | Very low | 65.1 | Low | 127 Ų | 127 | 71.1 Ų | 71.1 | 83% | 0.825 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -77.8 | 16.2 | -164.5 | 28.7 | -33.4 | 0 | 0 | 0 | 116.5 | ||
| 25 | E | 61.6 | Low | 64.7 | Low | 106 Ų | 106 | 70.4 Ų | 70.4 | 50% | 0.495 | 41% | 0.411 | S | S | . | . | trans | -137.1 | 35.4 | -168.1 | -60.8 | -171.1 | 169.3 | 0 | 0 | 115.5 | C23 S77 | C23-E25 VanDerWaalsContact C-N 3.27Å; C23-E25 PolarHBondContact O-N 3.05Å; C23-E25 VanDerWaalsContact O-N 3.08Å; E25-S77 WeakPolarHBondContact OE2-CB 3.11Å; E25-S77 PolarHBondContact OE2-OG 3.08Å | ||
| 26 | H | 70.4 | Confident | 63.9 | Low | 86 Ų | 86 | 73.6 Ų | 73.6 | 40% | 0.398 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 121.8 | 167.1 | -79.7 | -80.4 | 0 | 0 | 0 | 111.1 | K47 D74 | H26-K47 HydrophobicContact CB-CB 3.85Å; H26-K47 HydrophobicContact CB-CD 4.06Å; H26-K47 VanDerWaalsContact O-CB 3.32Å; H26-K47 WeakPolarHBondContact O-CB 3.48Å; H26-K47 PolarHBondContact O-N 3.45Å; H26-D74 IonicContact ND1-OD1 3.33Å |
| 27 | C | 79.5 | Confident | 63.6 | Low | 35 Ų | 35 | 72.4 Ų | 72.4 | 24% | 0.236 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 150.7 | -177.8 | -36.8 | 0 | 0 | 0 | 0 | 111.8 | V44 A45 H75 | C27-V44 HydrophobicContact CB-CG1 3.01Å; C27-A45 CarbonylContact C-O 3.58Å; C27-A45 WeakPolarHBondContact CA-O 3.39Å; C27-A45 WeakPolarHBondContact CB-O 3.36Å; C27-H75 PolarHBondContact N-O 2.98Å; C27-H75 PolarHBondContact O-N 3.08Å |
| 28 | V | 82.9 | Confident | 64.1 | Low | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 140 | -179.3 | -172.4 | 0 | 0 | 0 | 0 | 109.5 | L15 V44 A45 K47 F53 L72 F73 L84 | L15-V28 HydrophobicContact CD1-CG2 4.4Å; V28-V44 WeakPolarHBondContact O-CA 3.27Å; V28-A45 PolarHBondContact N-O 2.83Å; V28-A45 PolarHBondContact O-N 2.85Å; V28-K47 HydrophobicContact CG2-CB 3.77Å; V28-K47 HydrophobicContact CG2-CD 4.39Å; V28-K47 HydrophobicContact CG2-CG 3.69Å; V28-F53 HydrophobicContact CB-CZ 4.32Å; V28-F53 HydrophobicContact CG1-CZ 3.92Å; V28-L72 HydrophobicContact CG1-CD1 3.43Å; V28-L72 VanDerWaalsContact CG1-CD1 3.43Å; V28-L72 HydrophobicContact CG1-CD2 3.87Å; V28-L72 HydrophobicContact CG1-CG 3.45Å; V28-L72 VanDerWaalsContact CG1-CG 3.45Å; V28-F73 CarbonylContact C-O 3.52Å; V28-F73 VanDerWaalsContact CA-O 3.28Å; V28-F73 WeakPolarHBondContact CA-O 3.3Å; V28-F73 WeakPolarHBondContact CG1-O 3.15Å; V28-L84 HydrophobicContact CG1-CD1 4.18Å; V28-L84 HydrophobicContact CG2-CD1 4.39Å |
| 29 | R | 83.8 | Confident | 64.9 | Low | 87 Ų | 87 | 66.8 Ų | 66.8 | 33% | 0.328 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 140.6 | 172.5 | 179.9 | -176.6 | -68.6 | 167.6 | 1.8 | 109.4 | F73 | R29-F73 PolarHBondContact N-O 3.37Å; R29-F73 PolarHBondContact O-N 3.09Å |
| 30 | C | 85.4 | Confident | 66.4 | Low | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 133.1 | 166.3 | -172.5 | 0 | 0 | 0 | 0 | 110.4 | L9 T42 Y71 L72 | L9-C30 HydrophobicContact CD2-CB 3.67Å; C30-T42 HydrophobicContact CB-CG2 3.69Å; C30-T42 PolarHBondContact N-OG1 2.8Å; C30-T42 PolarHBondContact O-N 2.62Å; C30-T42 PolarHBondContact O-OG1 2.82Å; C30-Y71 CarbonylContact C-O 3.6Å; C30-Y71 VanDerWaalsContact CA-O 3.23Å; C30-Y71 WeakPolarHBondContact CA-O 3.32Å; C30-Y71 PolarHBondContact SG-O 3.5Å; C30-Y71 VanDerWaalsContact SG-O 3.35Å; C30-L72 HydrophobicContact CB-CD1 4.03Å |
| 31 | V | 83.8 | Confident | 68.2 | Low | 10 Ų | 10 | 61.7 Ų | 61.7 | 6% | 0.061 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 120.1 | 176 | 177.6 | 0 | 0 | 0 | 0 | 106.9 | K33 E38 N41 Y71 F73 | V31-K33 HydrophobicContact CG1-CG 4.1Å; V31-E38 HydrophobicContact CG1-CG 3.66Å; V31-E38 WeakPolarHBondContact CG1-OE2 3.09Å; V31-N41 WeakPolarHBondContact CG1-OD1 3.46Å; V31-N41 VanDerWaalsContact CG2-OD1 3.31Å; V31-N41 WeakPolarHBondContact CG2-OD1 3.26Å; V31-Y71 PolarHBondContact N-O 3.47Å; V31-Y71 PolarHBondContact O-N 2.83Å; V31-F73 HydrophobicContact CB-CD2 4.11Å; V31-F73 HydrophobicContact CB-CE2 3.86Å; V31-F73 HydrophobicContact CG2-CD2 3.51Å; V31-F73 HydrophobicContact CG2-CE2 3.62Å |
| 32 | V | 83.9 | Confident | 70.2 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 124.9 | 178 | -169.9 | 0 | 0 | 0 | 0 | 108.7 | W7 I39 F40 L68 S69 F70 | W7-V32 HydrophobicContact CH2-CB 4.47Å; W7-V32 HydrophobicContact CH2-CG2 3.27Å; W7-V32 HydrophobicContact CZ2-CB 4.09Å; W7-V32 HydrophobicContact CZ2-CG1 4.43Å; W7-V32 HydrophobicContact CZ2-CG2 3.31Å; W7-V32 HydrophobicContact CZ3-CG2 4.01Å; V32-I39 HydrophobicContact CB-CD1 4.25Å; V32-I39 HydrophobicContact CB-CG1 4.01Å; V32-I39 HydrophobicContact CG1-CD1 3.66Å; V32-I39 HydrophobicContact CG1-CG1 3.86Å; V32-I39 WeakPolarHBondContact O-CG1 3.49Å; V32-I39 PolarHBondContact O-N 3.15Å; V32-F40 HydrophobicContact CB-CB 4.31Å; V32-F40 PolarHBondContact N-O 3.23Å; V32-F40 PolarHBondContact O-N 3.2Å; V32-L68 HydrophobicContact CG1-CD1 3.62Å; V32-L68 HydrophobicContact CG1-CG 4.5Å; V32-S69 WeakPolarHBondContact CA-O 3.48Å; V32-F70 HydrophobicContact CB-CD1 4.38Å; V32-F70 HydrophobicContact CB-CE1 4.39Å; V32-F70 HydrophobicContact CG1-CD1 4.1Å; V32-F70 HydrophobicContact CG1-CE1 3.82Å; V32-F70 HydrophobicContact CG1-CZ 4.19Å; V32-F70 HydrophobicContact CG2-CD1 3.49Å; V32-F70 VanDerWaalsContact CG2-CD1 3.49Å; V32-F70 HydrophobicContact CG2-CE1 3.61Å; V32-F70 HydrophobicContact CG2-CG 4.5Å |
| 33 | K | 77.3 | Confident | 71.9 | Confident | 51 Ų | 51 | 53.1 Ų | 53.1 | 22% | 0.222 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 134.7 | 178 | -57.9 | -163.6 | 174.5 | -168 | 0 | 110.1 | V31 E37 E38 S69 Y71 | V31-K33 HydrophobicContact CG1-CG 4.1Å; K33-E37 CarbonylContact C-O 3.59Å; K33-E37 WeakPolarHBondContact CA-O 3.37Å; K33-E38 HydrophobicContact CG-CB 4.48Å; K33-S69 PolarHBondContact N-O 2.78Å; K33-S69 PolarHBondContact O-N 2.97Å; K33-Y71 HydrophobicContact CB-CD2 4.31Å; K33-Y71 HydrophobicContact CB-CE2 4.02Å; K33-Y71 HydrophobicContact CD-CD2 4.01Å; K33-Y71 HydrophobicContact CD-CE2 3.77Å; K33-Y71 HydrophobicContact CG-CD2 3.9Å; K33-Y71 HydrophobicContact CG-CE2 3.93Å |
| 34 | M | 74.4 | Confident | 73.7 | Confident | 11 Ų | 11 | 52.1 Ų | 52.1 | 5% | 0.054 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 115.1 | 164.7 | -75.4 | -178.9 | 72.7 | 0 | 0 | 107.5 | N36 E37 I39 F59 L61 F65 L67 L68 | M34-N36 PolarHBondContact O-N 3.38Å; M34-E37 PolarHBondContact N-O 3.36Å; M34-E37 PolarHBondContact O-N 2.85Å; M34-I39 HydrophobicContact CB-CG2 3.86Å; M34-I39 HydrophobicContact CG-CD1 3.64Å; M34-I39 HydrophobicContact CG-CG1 4.03Å; M34-I39 HydrophobicContact CG-CG2 3.83Å; M34-I39 HydrophobicContact SD-CD1 3.7Å; M34-I39 HydrophobicContact SD-CG1 4.41Å; M34-I39 HydrophobicContact SD-CG2 3.79Å; M34-F59 HydrophobicContact CE-CE2 4.35Å; M34-F59 HydrophobicContact SD-CD2 4.41Å; M34-F59 HydrophobicContact SD-CE2 3.48Å; M34-F59 WeakPolarHBondContact SD-CE2 3.39Å; M34-F59 HydrophobicContact SD-CZ 3.91Å; M34-L61 HydrophobicContact CE-CD1 3.2Å; M34-L61 HydrophobicContact CE-CD2 3.48Å; M34-L61 VanDerWaalsContact CE-CD2 3.48Å; M34-L61 HydrophobicContact CE-CG 3.88Å; M34-L61 HydrophobicContact SD-CD1 3.97Å; M34-L61 HydrophobicContact SD-CD2 3.33Å; M34-L61 WeakPolarHBondContact SD-CD2 3.45Å; M34-L61 HydrophobicContact SD-CG 4.17Å; M34-F65 HydrophobicContact CB-CB 4.48Å; M34-F65 HydrophobicContact CE-CB 3.36Å; M34-F65 HydrophobicContact CE-CD1 3.08Å; M34-F65 HydrophobicContact CE-CD2 3.62Å; M34-F65 HydrophobicContact CE-CE1 3.64Å; M34-F65 HydrophobicContact CE-CE2 4.13Å; M34-F65 HydrophobicContact CE-CG 3.05Å; M34-F65 HydrophobicContact CE-CZ 4.13Å; M34-L67 CarbonylContact C-O 3.47Å; M34-L67 WeakPolarHBondContact CA-O 3.4Å; M34-L68 HydrophobicContact CG-CD1 3.71Å |
| 35 | D | 67.7 | Low | 75 | Confident | 24 Ų | 24 | 46.7 Ų | 46.7 | 13% | 0.128 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.5 | -99.2 | -167.9 | -67.6 | -39.2 | 0 | 0 | 0 | 110.2 | F65 R66 L67 L131 | D35-F65 VanDerWaalsContact OD2-CA 3.26Å; D35-F65 WeakPolarHBondContact OD2-CA 3.32Å; D35-R66 WeakPolarHBondContact OD1-CA 3.27Å; D35-R66 VanDerWaalsContact OD1-CB 3.31Å; D35-R66 WeakPolarHBondContact OD1-CB 3.41Å; D35-R66 PolarHBondContact OD1-N 3.12Å; D35-R66 PolarHBondContact OD2-N 3.01Å; D35-L67 PolarHBondContact N-O 2.82Å; D35-L67 PolarHBondContact OD1-N 3.49Å; D35-L131 VanDerWaalsContact CA-CD1 3.49Å; D35-L131 HydrophobicContact CB-CB 3.58Å; D35-L131 HydrophobicContact CB-CD1 3.53Å; D35-L131 HydrophobicContact CB-CG 4.23Å |
| 36 | N | 62.8 | Low | 75.9 | Confident | 76 Ų | 76 | 45 Ų | 45 | 41% | 0.406 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -120.4 | -8 | 177 | -85 | -17.4 | 0 | 0 | 0 | 111.7 | M34 L131 | M34-N36 PolarHBondContact O-N 3.38Å; N36-L131 HydrophobicContact CB-CD1 3.62Å; N36-L131 HydrophobicContact CB-CG 4.39Å; N36-L131 VanDerWaalsContact N-CD1 3.28Å; N36-L131 VanDerWaalsContact ND2-CD1 3.26Å; N36-L131 WeakPolarHBondContact ND2-CD1 3.39Å; N36-L131 WeakPolarHBondContact ND2-CG 3.48Å; N36-L131 WeakPolarHBondContact OD1-CD1 3.42Å |
| 37 | E | 61.9 | Low | 76.1 | Confident | 112 Ų | 112 | 42.6 Ų | 42.6 | 52% | 0.523 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 120.8 | 178.9 | -171.3 | 170.8 | -179.7 | 0 | 0 | 108.8 | K33 M34 I39 K63 | K33-E37 CarbonylContact C-O 3.59Å; K33-E37 WeakPolarHBondContact CA-O 3.37Å; M34-E37 PolarHBondContact N-O 3.36Å; M34-E37 PolarHBondContact O-N 2.85Å; E37-I39 PolarHBondContact O-N 3.02Å; E37-K63 IonicContact OE2-NZ 2.68Å |
| 38 | E | 73 | Confident | 76.2 | Confident | 98 Ų | 98 | 43.8 Ų | 43.8 | 46% | 0.458 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 115.1 | 172.9 | -176 | 171.8 | 124.5 | 0 | 0 | 109.2 | V31 K33 N41 | V31-E38 HydrophobicContact CG1-CG 3.66Å; V31-E38 WeakPolarHBondContact CG1-OE2 3.09Å; K33-E38 HydrophobicContact CG-CB 4.48Å; E38-N41 VanDerWaalsContact OE1-CG 3.32Å; E38-N41 PolarHBondContact OE1-ND2 3.41Å; E38-N41 PolarHBondContact OE1-OD1 2.94Å |
| 39 | I | 72 | Confident | 76 | Confident | 55 Ų | 55 | 47 Ų | 47 | 28% | 0.282 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | -28.3 | -177.1 | 54.5 | 152.9 | 0 | 0 | 0 | 112.4 | V32 M34 E37 F59 L68 | V32-I39 HydrophobicContact CB-CD1 4.25Å; V32-I39 HydrophobicContact CB-CG1 4.01Å; V32-I39 HydrophobicContact CG1-CD1 3.66Å; V32-I39 HydrophobicContact CG1-CG1 3.86Å; V32-I39 WeakPolarHBondContact O-CG1 3.49Å; V32-I39 PolarHBondContact O-N 3.15Å; M34-I39 HydrophobicContact CB-CG2 3.86Å; M34-I39 HydrophobicContact CG-CD1 3.64Å; M34-I39 HydrophobicContact CG-CG1 4.03Å; M34-I39 HydrophobicContact CG-CG2 3.83Å; M34-I39 HydrophobicContact SD-CD1 3.7Å; M34-I39 HydrophobicContact SD-CG1 4.41Å; M34-I39 HydrophobicContact SD-CG2 3.79Å; E37-I39 PolarHBondContact O-N 3.02Å; I39-F59 HydrophobicContact CD1-CD1 4.28Å; I39-F59 HydrophobicContact CD1-CE1 3.54Å; I39-F59 HydrophobicContact CD1-CE2 3.98Å; I39-F59 HydrophobicContact CD1-CZ 3.39Å; I39-L68 HydrophobicContact CD1-CD1 4.23Å |
| 40 | F | 74.8 | Confident | 76 | Confident | 55 Ų | 55 | 46.7 Ų | 46.7 | 24% | 0.241 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160 | 147.9 | -174.8 | -173.7 | -95.6 | 0 | 0 | 0 | 112.9 | W7 V32 T42 L57 | W7-F40 AromaticContact CH2-CD1 3.66Å; W7-F40 HydrophobicContact CH2-CD1 3.66Å; W7-F40 HydrophobicContact CH2-CE1 4.07Å; W7-F40 HydrophobicContact CZ2-CB 4.18Å; W7-F40 AromaticContact CZ2-CD1 3.52Å; W7-F40 HydrophobicContact CZ2-CD1 3.52Å; W7-F40 HydrophobicContact CZ2-CE1 4.2Å; W7-F40 HydrophobicContact CZ2-CG 4.02Å; V32-F40 HydrophobicContact CB-CB 4.31Å; V32-F40 PolarHBondContact N-O 3.23Å; V32-F40 PolarHBondContact O-N 3.2Å; F40-T42 HydrophobicContact CD1-CG2 4.41Å; F40-T42 HydrophobicContact CE1-CG2 3.97Å; F40-L57 HydrophobicContact CD1-CD1 3.34Å; F40-L57 HydrophobicContact CD1-CD2 4.49Å; F40-L57 HydrophobicContact CD2-CD1 3.96Å; F40-L57 HydrophobicContact CD2-CD2 3.54Å; F40-L57 HydrophobicContact CD2-CG 4.36Å; F40-L57 HydrophobicContact CE1-CD1 3.05Å; F40-L57 HydrophobicContact CE1-CD2 4.23Å; F40-L57 HydrophobicContact CE1-CG 4.21Å; F40-L57 HydrophobicContact CE2-CD1 3.75Å; F40-L57 HydrophobicContact CE2-CD2 3.24Å; F40-L57 HydrophobicContact CE2-CG 4.09Å; F40-L57 HydrophobicContact CG-CD1 3.77Å; F40-L57 HydrophobicContact CG-CD2 4.16Å; F40-L57 HydrophobicContact CZ-CD1 3.28Å; F40-L57 HydrophobicContact CZ-CD2 3.62Å; F40-L57 HydrophobicContact CZ-CG 4Å |
| 41 | N | 76.7 | Confident | 75.8 | Confident | 59 Ų | 59 | 46.8 Ų | 46.8 | 32% | 0.316 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 128.4 | 171.8 | -72.4 | -34.1 | 0 | 0 | 0 | 110.4 | V31 E38 | V31-N41 WeakPolarHBondContact CG1-OD1 3.46Å; V31-N41 VanDerWaalsContact CG2-OD1 3.31Å; V31-N41 WeakPolarHBondContact CG2-OD1 3.26Å; E38-N41 VanDerWaalsContact OE1-CG 3.32Å; E38-N41 PolarHBondContact OE1-ND2 3.41Å; E38-N41 PolarHBondContact OE1-OD1 2.94Å |
| 42 | T | 76.8 | Confident | 75.7 | Confident | 5 Ų | 5 | 53.7 Ų | 53.7 | 3% | 0.031 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -69.9 | 161.8 | 175.8 | 68.2 | 0 | 0 | 0 | 0 | 111.9 | W7 L9 C30 F40 E55 | W7-T42 HydrophobicContact CH2-CG2 4.24Å; L9-T42 HydrophobicContact CD2-CG2 3.83Å; C30-T42 HydrophobicContact CB-CG2 3.69Å; C30-T42 PolarHBondContact N-OG1 2.8Å; C30-T42 PolarHBondContact O-N 2.62Å; C30-T42 PolarHBondContact O-OG1 2.82Å; F40-T42 HydrophobicContact CD1-CG2 4.41Å; F40-T42 HydrophobicContact CE1-CG2 3.97Å; T42-E55 HydrophobicContact CG2-CG 4.06Å |
| 43 | S | 71.8 | Confident | 75.6 | Confident | 32 Ų | 32 | 54.2 Ų | 54.2 | 22% | 0.224 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -56.1 | 154 | 159.4 | 65.1 | 0 | 0 | 0 | 0 | 110.7 | E55 | S43-E55 PolarHBondContact N-OE1 3.14Å; S43-E55 VanDerWaalsContact N-OE1 3.17Å; S43-E55 PolarHBondContact OG-OE1 3.23Å; S43-E55 VanDerWaalsContact OG-OE1 3.13Å |
| 44 | V | 78.6 | Confident | 75.4 | Confident | 65 Ų | 65 | 53.4 Ų | 53.4 | 39% | 0.394 | 29% | 0.293 | S | S | . | . | P | Polyproline II helix | trans | -78.2 | 127.2 | 178.6 | 175.8 | 0 | 0 | 0 | 0 | 108.9 | C27 V28 | C27-V44 HydrophobicContact CB-CG1 3.01Å; V28-V44 WeakPolarHBondContact O-CA 3.27Å |
| 45 | A | 76.9 | Confident | 75.6 | Confident | 14 Ų | 14 | 53.5 Ų | 53.5 | 12% | 0.116 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 149.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | C27 V28 P51 F53 | C27-A45 CarbonylContact C-O 3.58Å; C27-A45 WeakPolarHBondContact CA-O 3.39Å; C27-A45 WeakPolarHBondContact CB-O 3.36Å; V28-A45 PolarHBondContact N-O 2.83Å; V28-A45 PolarHBondContact O-N 2.85Å; A45-P51 HydrophobicContact CB-CB 4.2Å; A45-F53 HydrophobicContact CB-CD1 4.05Å; A45-F53 HydrophobicContact CB-CE1 3.81Å; A45-F53 HydrophobicContact CB-CZ 4.37Å |
| 46 | A | 78.5 | Confident | 76 | Confident | 69 Ų | 69 | 56.2 Ų | 56.2 | 57% | 0.57 | 31% | 0.308 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 139.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | T48 | A46-T48 PolarHBondContact O-N 2.84Å |
| 47 | K | 76.6 | Confident | 76.4 | Confident | 36 Ų | 36 | 54.1 Ų | 54.1 | 16% | 0.157 | 30% | 0.297 | C | S | . | . | trans | -75 | 86.7 | 179.8 | -170.7 | -180 | 180 | -174.8 | 0 | 111.3 | H26 V28 D74 | H26-K47 HydrophobicContact CB-CB 3.85Å; H26-K47 HydrophobicContact CB-CD 4.06Å; H26-K47 VanDerWaalsContact O-CB 3.32Å; H26-K47 WeakPolarHBondContact O-CB 3.48Å; H26-K47 PolarHBondContact O-N 3.45Å; V28-K47 HydrophobicContact CG2-CB 3.77Å; V28-K47 HydrophobicContact CG2-CD 4.39Å; V28-K47 HydrophobicContact CG2-CG 3.69Å; K47-D74 IonicContact NZ-OD1 3.15Å; K47-D74 IonicContact NZ-OD2 3.04Å; K47-D74 PolarHBondContact NZ-OD2 3.18Å | ||
| 48 | T | 79.9 | Confident | 76.8 | Confident | 60 Ų | 60 | 54.1 Ų | 54.1 | 37% | 0.368 | 30% | 0.296 | S | S | . | . | trans | -99.9 | 171.3 | 166.8 | 66 | 0 | 0 | 0 | 0 | 109.8 | A46 N50 P51 | A46-T48 PolarHBondContact O-N 2.84Å; T48-N50 PolarHBondContact O-N 3.02Å; T48-N50 PolarHBondContact OG1-N 2.93Å; T48-N50 PolarHBondContact OG1-O 3.43Å; T48-N50 VanDerWaalsContact OG1-O 3.1Å; T48-P51 WeakPolarHBondContact O-CD 3.29Å; T48-P51 WeakPolarHBondContact OG1-CA 3.36Å | ||
| 49 | P | 78.9 | Confident | 76.5 | Confident | 67 Ų | 67 | 51.2 Ų | 51.2 | 44% | 0.435 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -59.1 | -26.1 | 169.8 | -24.1 | 35 | 0 | 0 | 0 | 112.7 | R13 G14 L15 V17 | R13-P49 CarbonylContact C-O 3.57Å; G14-P49 PolarHBondContact N-O 3.3Å; L15-P49 PolarHBondContact N-O 2.85Å; V17-P49 HydrophobicContact CG2-CG 3.93Å |
| 50 | N | 83.5 | Confident | 76 | Confident | 82 Ų | 82 | 52.7 Ų | 52.7 | 44% | 0.439 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -133.3 | 71.9 | -177.1 | -49.2 | -44.1 | 0 | 0 | 0 | 111.2 | A12 R13 G14 T48 | A12-N50 CarbonylContact O-C 3.59Å; A12-N50 WeakPolarHBondContact O-CA 3.5Å; R13-N50 WeakPolarHBondContact CA-OD1 3.5Å; R13-N50 WeakPolarHBondContact CG-OD1 3.23Å; G14-N50 PolarHBondContact N-OD1 3.46Å; T48-N50 PolarHBondContact O-N 3.02Å; T48-N50 PolarHBondContact OG1-N 2.93Å; T48-N50 PolarHBondContact OG1-O 3.43Å; T48-N50 VanDerWaalsContact OG1-O 3.1Å |
| 51 | P | 81.6 | Confident | 75.5 | Confident | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.013 | 28% | 0.282 | C | S | . | . | trans | -73.1 | 131.9 | -178.3 | 30.7 | -34.6 | 0 | 0 | 0 | 110.6 | E11 A12 L15 A45 T48 F53 | E11-P51 CarbonylContact C-O 3.58Å; E11-P51 VanDerWaalsContact CA-O 3.29Å; E11-P51 WeakPolarHBondContact CA-O 3.41Å; E11-P51 WeakPolarHBondContact CB-O 3.48Å; A12-P51 HydrophobicContact CB-CG 3.76Å; A12-P51 PolarHBondContact N-O 3.23Å; A12-P51 WeakPolarHBondContact O-CD 3.45Å; L15-P51 HydrophobicContact CD1-CG 3.49Å; L15-P51 VanDerWaalsContact CD1-CG 3.49Å; A45-P51 HydrophobicContact CB-CB 4.2Å; T48-P51 WeakPolarHBondContact O-CD 3.29Å; T48-P51 WeakPolarHBondContact OG1-CA 3.36Å; P51-F53 HydrophobicContact CB-CE2 4.41Å; P51-F53 HydrophobicContact CB-CZ 4.41Å; P51-F53 HydrophobicContact CG-CE2 4.15Å; P51-F53 HydrophobicContact CG-CZ 4.29Å | ||
| 52 | Y | 82 | Confident | 74.4 | Confident | 155 Ų | 155 | 57.2 Ų | 57.2 | 61% | 0.608 | 31% | 0.309 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 132.4 | 175.7 | -177.3 | -96.2 | 0 | 0 | 0 | 110.4 | V10 E11 | V10-Y52 HydrophobicContact CG1-CD2 4.44Å; V10-Y52 HydrophobicContact CG1-CE2 3.88Å; V10-Y52 WeakPolarHBondContact O-CD2 3.47Å; E11-Y52 HydrophobicContact CB-CD2 4.13Å |
| 53 | F | 81.2 | Confident | 73.4 | Confident | 10 Ų | 10 | 63.7 Ų | 63.7 | 4% | 0.044 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | -46.8 | 177.8 | -62.4 | -83.3 | 0 | 0 | 0 | 111.4 | L9 V10 A12 V28 A45 P51 E55 L72 | L9-F53 HydrophobicContact CD1-CD2 4.32Å; L9-F53 HydrophobicContact CD2-CB 3.88Å; L9-F53 HydrophobicContact CD2-CD1 4.31Å; L9-F53 HydrophobicContact CD2-CD2 3.75Å; L9-F53 HydrophobicContact CD2-CE2 4.4Å; L9-F53 HydrophobicContact CD2-CG 3.71Å; L9-F53 HydrophobicContact CG-CB 3.99Å; L9-F53 HydrophobicContact CG-CD2 3.95Å; L9-F53 HydrophobicContact CG-CG 4.14Å; V10-F53 PolarHBondContact O-N 3.08Å; A12-F53 HydrophobicContact CB-CE2 4.22Å; V28-F53 HydrophobicContact CB-CZ 4.32Å; V28-F53 HydrophobicContact CG1-CZ 3.92Å; A45-F53 HydrophobicContact CB-CD1 4.05Å; A45-F53 HydrophobicContact CB-CE1 3.81Å; A45-F53 HydrophobicContact CB-CZ 4.37Å; P51-F53 HydrophobicContact CB-CE2 4.41Å; P51-F53 HydrophobicContact CB-CZ 4.41Å; P51-F53 HydrophobicContact CG-CE2 4.15Å; P51-F53 HydrophobicContact CG-CZ 4.29Å; F53-E55 VanDerWaalsContact C-N 3.29Å; F53-E55 HydrophobicContact CB-CG 4.36Å; F53-E55 PolarHBondContact O-N 2.72Å; F53-L72 HydrophobicContact CE2-CD1 4.21Å; F53-L72 HydrophobicContact CZ-CD1 3.75Å |
| 54 | G | 74.8 | Confident | 72.9 | Confident | 34 Ų | 34 | 65.5 Ų | 65.5 | 35% | 0.351 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 59.4 | 33.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | L9 V10 | L9-G54 PolarHBondContact O-N 2.95Å; V10-G54 PolarHBondContact O-N 3.06Å |
| 55 | E | 77.6 | Confident | 72.3 | Confident | 13 Ų | 13 | 62.7 Ų | 62.7 | 6% | 0.061 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 126.1 | -177.5 | -64.1 | -75.6 | -166.7 | 0 | 0 | 110.4 | I8 L9 T42 S43 F53 L57 K529 | I8-E55 CarbonylContact C-O 3.59Å; I8-E55 WeakPolarHBondContact CA-O 3.37Å; L9-E55 PolarHBondContact N-O 3.36Å; L9-E55 PolarHBondContact O-N 2.99Å; T42-E55 HydrophobicContact CG2-CG 4.06Å; S43-E55 PolarHBondContact N-OE1 3.14Å; S43-E55 VanDerWaalsContact N-OE1 3.17Å; S43-E55 PolarHBondContact OG-OE1 3.23Å; S43-E55 VanDerWaalsContact OG-OE1 3.13Å; F53-E55 VanDerWaalsContact C-N 3.29Å; F53-E55 HydrophobicContact CB-CG 4.36Å; F53-E55 PolarHBondContact O-N 2.72Å; E55-L57 HydrophobicContact CB-CD1 4.19Å; E55-K529 VanDerWaalsContact CD-NZ 3.28Å; E55-K529 IonicContact OE1-NZ 3.95Å; E55-K529 PolarHBondContact OE1-NZ 3.3Å; E55-K529 IonicContact OE2-NZ 3.89Å; E55-K529 PolarHBondContact OE2-NZ 2.79Å |
| 56 | D | 76.5 | Confident | 71.5 | Confident | 81 Ų | 81 | 64.4 Ų | 64.4 | 43% | 0.433 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 119.5 | 172.6 | -179.5 | 6.4 | 0 | 0 | 0 | 108.9 | R6 I8 | R6-D56 IonicContact CZ-OD1 3.75Å; R6-D56 IonicContact CZ-OD2 2.68Å; R6-D56 IonicContact NE-OD1 3.73Å; R6-D56 PolarHBondContact NE-OD1 3.1Å; R6-D56 IonicContact NE-OD2 3.18Å; R6-D56 IonicContact NH2-OD1 2.79Å; R6-D56 IonicContact NH2-OD2 3.7Å; R6-D56 PolarHBondContact NH2-OD2 2.78Å; I8-D56 HydrophobicContact CD1-CB 4.48Å; I8-D56 HydrophobicContact CG1-CB 3.89Å; I8-D56 WeakPolarHBondContact CG1-OD1 3.48Å |
| 57 | L | 71.7 | Confident | 71 | Confident | 33 Ų | 33 | 62.7 Ų | 62.7 | 17% | 0.173 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 135 | -172.1 | -77.3 | 142.6 | 0 | 0 | 0 | 111.3 | R6 W7 F40 E55 | R6-L57 CarbonylContact C-O 3.48Å; R6-L57 VanDerWaalsContact CA-O 3.26Å; R6-L57 WeakPolarHBondContact CA-O 3.35Å; R6-L57 WeakPolarHBondContact CG-O 3.22Å; W7-L57 HydrophobicContact CD2-CB 4.35Å; W7-L57 HydrophobicContact CD2-CD1 4.45Å; W7-L57 HydrophobicContact CH2-CD1 3.4Å; W7-L57 HydrophobicContact CZ2-CB 4.05Å; W7-L57 HydrophobicContact CZ2-CD1 3.11Å; W7-L57 HydrophobicContact CZ2-CG 4.18Å; W7-L57 HydrophobicContact CZ3-CD1 4.16Å; W7-L57 PolarHBondContact N-O 3.13Å; W7-L57 PolarHBondContact O-N 3.2Å; F40-L57 HydrophobicContact CD1-CD1 3.34Å; F40-L57 HydrophobicContact CD1-CD2 4.49Å; F40-L57 HydrophobicContact CD2-CD1 3.96Å; F40-L57 HydrophobicContact CD2-CD2 3.54Å; F40-L57 HydrophobicContact CD2-CG 4.36Å; F40-L57 HydrophobicContact CE1-CD1 3.05Å; F40-L57 HydrophobicContact CE1-CD2 4.23Å; F40-L57 HydrophobicContact CE1-CG 4.21Å; F40-L57 HydrophobicContact CE2-CD1 3.75Å; F40-L57 HydrophobicContact CE2-CD2 3.24Å; F40-L57 HydrophobicContact CE2-CG 4.09Å; F40-L57 HydrophobicContact CG-CD1 3.77Å; F40-L57 HydrophobicContact CG-CD2 4.16Å; F40-L57 HydrophobicContact CZ-CD1 3.28Å; F40-L57 HydrophobicContact CZ-CD2 3.62Å; F40-L57 HydrophobicContact CZ-CG 4Å; E55-L57 HydrophobicContact CB-CD1 4.19Å |
| 58 | H | 68.7 | Low | 71.1 | Confident | 111 Ų | 111 | 61 Ų | 61 | 51% | 0.514 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 124.3 | 176.6 | -170.5 | 73.4 | 0 | 0 | 0 | 108.2 | I4 | I4-H58 WeakPolarHBondContact CG2-CE1 3.33Å |
| 59 | F | 67.5 | Low | 71.2 | Confident | 37 Ų | 37 | 58.3 Ų | 58.3 | 16% | 0.162 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 140.6 | 179.3 | 57.8 | -100.5 | 0 | 0 | 0 | 111.1 | F5 W7 M34 I39 L61 | F5-F59 HydrophobicContact CB-CD1 4.49Å; F5-F59 HydrophobicContact CB-CD2 3.65Å; F5-F59 HydrophobicContact CB-CE1 4.15Å; F5-F59 HydrophobicContact CB-CE2 3.22Å; F5-F59 HydrophobicContact CB-CG 4.28Å; F5-F59 HydrophobicContact CB-CZ 3.51Å; F5-F59 HydrophobicContact CD1-CD1 4.18Å; F5-F59 AromaticContact CD1-CE1 3.27Å; F5-F59 HydrophobicContact CD1-CE1 3.27Å; F5-F59 AromaticContact CD1-CE2 3.7Å; F5-F59 HydrophobicContact CD1-CE2 3.7Å; F5-F59 AromaticContact CD1-CZ 2.96Å; F5-F59 HydrophobicContact CD1-CZ 2.96Å; F5-F59 HydrophobicContact CD2-CZ 4.36Å; F5-F59 HydrophobicContact CE1-CE1 4.04Å; F5-F59 AromaticContact CE1-CZ 3.78Å; F5-F59 HydrophobicContact CE1-CZ 3.78Å; F5-F59 HydrophobicContact CG-CD2 4.41Å; F5-F59 HydrophobicContact CG-CE1 4.03Å; F5-F59 AromaticContact CG-CE2 3.58Å; F5-F59 HydrophobicContact CG-CE2 3.58Å; F5-F59 AromaticContact CG-CZ 3.34Å; F5-F59 HydrophobicContact CG-CZ 3.34Å; F5-F59 PolarHBondContact N-O 2.86Å; F5-F59 PolarHBondContact O-N 2.99Å; F5-F59 VanDerWaalsContact O-O 3.11Å; W7-F59 AromaticContact CD1-CD1 3.95Å; W7-F59 AromaticContact CD1-CE1 3.33Å; W7-F59 AromaticContact NE1-CD1 3.72Å; W7-F59 AromaticContact NE1-CE1 3.25Å; M34-F59 HydrophobicContact CE-CE2 4.35Å; M34-F59 HydrophobicContact SD-CD2 4.41Å; M34-F59 HydrophobicContact SD-CE2 3.48Å; M34-F59 WeakPolarHBondContact SD-CE2 3.39Å; M34-F59 HydrophobicContact SD-CZ 3.91Å; I39-F59 HydrophobicContact CD1-CD1 4.28Å; I39-F59 HydrophobicContact CD1-CE1 3.54Å; I39-F59 HydrophobicContact CD1-CE2 3.98Å; I39-F59 HydrophobicContact CD1-CZ 3.39Å; F59-L61 HydrophobicContact CD2-CD1 4.17Å; F59-L61 HydrophobicContact CD2-CD2 3.54Å; F59-L61 HydrophobicContact CD2-CG 3.6Å; F59-L61 HydrophobicContact CE2-CD1 3.73Å; F59-L61 HydrophobicContact CE2-CD2 3.6Å; F59-L61 HydrophobicContact CE2-CG 3.65Å |
| 60 | E | 62 | Low | 71.7 | Confident | 87 Ų | 87 | 55.1 Ų | 55.1 | 41% | 0.407 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 130.7 | 173.8 | -63.7 | 177.9 | -164.6 | 0 | 0 | 108.2 | L2 I4 Q744 | L2-E60 HydrophobicContact CD2-CB 4.25Å; L2-E60 HydrophobicContact CD2-CG 4.29Å; I4-E60 HydrophobicContact CG1-CG 4.48Å; E60-Q744 PolarHBondContact OE1-NE2 3.02Å; E60-Q744 PolarHBondContact OE2-NE2 3.21Å; E60-Q744 PolarHBondContact OE2-OE1 2.72Å |
| 61 | L | 64 | Low | 71.7 | Confident | 20 Ų | 20 | 52 Ų | 52 | 11% | 0.105 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 116.5 | -177.1 | -63.2 | 167.2 | 0 | 0 | 0 | 108.9 | F3 F5 M34 F59 K63 F65 | F3-L61 HydrophobicContact CB-CB 3.78Å; F3-L61 HydrophobicContact CB-CD1 4.28Å; F3-L61 WeakPolarHBondContact CB-O 2.88Å; F3-L61 PolarHBondContact N-O 3Å; F3-L61 WeakPolarHBondContact O-CA 3.24Å; F3-L61 WeakPolarHBondContact O-CB 3.4Å; F3-L61 PolarHBondContact O-N 2.78Å; F5-L61 HydrophobicContact CB-CD1 4.15Å; M34-L61 HydrophobicContact CE-CD1 3.2Å; M34-L61 HydrophobicContact CE-CD2 3.48Å; M34-L61 VanDerWaalsContact CE-CD2 3.48Å; M34-L61 HydrophobicContact CE-CG 3.88Å; M34-L61 HydrophobicContact SD-CD1 3.97Å; M34-L61 HydrophobicContact SD-CD2 3.33Å; M34-L61 WeakPolarHBondContact SD-CD2 3.45Å; M34-L61 HydrophobicContact SD-CG 4.17Å; F59-L61 HydrophobicContact CD2-CD1 4.17Å; F59-L61 HydrophobicContact CD2-CD2 3.54Å; F59-L61 HydrophobicContact CD2-CG 3.6Å; F59-L61 HydrophobicContact CE2-CD1 3.73Å; F59-L61 HydrophobicContact CE2-CD2 3.6Å; F59-L61 HydrophobicContact CE2-CG 3.65Å; L61-K63 VanDerWaalsContact C-N 3.33Å; L61-F65 HydrophobicContact CD1-CD1 3.72Å; L61-F65 HydrophobicContact CD1-CE1 3.55Å |
| 62 | Q | 52.8 | Low | 72 | Confident | 189 Ų | 189 | 52 Ų | 52 | 88% | 0.883 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -81 | -19.6 | 168.4 | -65.5 | -175.2 | -24.1 | 0 | 0 | 111.8 | ||
| 63 | K | 56.7 | Low | 72 | Confident | 141 Ų | 141 | 45.9 Ų | 45.9 | 61% | 0.613 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -107.7 | 145.2 | -178 | -62.4 | -179.3 | -171.8 | 167.8 | 0 | 111.3 | E37 L61 | E37-K63 IonicContact OE2-NZ 2.68Å; L61-K63 VanDerWaalsContact C-N 3.33Å |
| 64 | N | 61.1 | Low | 71.9 | Confident | 69 Ų | 69 | 46 Ų | 46 | 37% | 0.369 | 23% | 0.226 | S | C | . | . | trans | -73.1 | 152.3 | 171.1 | -160.3 | 7.6 | 0 | 0 | 0 | 110.2 | F3 K91 | F3-N64 HydrophobicContact CE2-CB 4.36Å; N64-K91 PolarHBondContact OD1-NZ 2.84Å | ||
| 65 | F | 66.4 | Low | 71.8 | Confident | 7 Ų | 7 | 47.6 Ų | 47.6 | 3% | 0.031 | 22% | 0.224 | C | C | . | . | trans | -142.3 | 159.4 | -179.1 | 72.2 | -81.6 | 0 | 0 | 0 | 111.5 | F5 M34 D35 L61 L68 K91 I94 Y322 | F5-F65 HydrophobicContact CD2-CZ 4.15Å; F5-F65 HydrophobicContact CE2-CZ 4.37Å; M34-F65 HydrophobicContact CB-CB 4.48Å; M34-F65 HydrophobicContact CE-CB 3.36Å; M34-F65 HydrophobicContact CE-CD1 3.08Å; M34-F65 HydrophobicContact CE-CD2 3.62Å; M34-F65 HydrophobicContact CE-CE1 3.64Å; M34-F65 HydrophobicContact CE-CE2 4.13Å; M34-F65 HydrophobicContact CE-CG 3.05Å; M34-F65 HydrophobicContact CE-CZ 4.13Å; D35-F65 VanDerWaalsContact OD2-CA 3.26Å; D35-F65 WeakPolarHBondContact OD2-CA 3.32Å; L61-F65 HydrophobicContact CD1-CD1 3.72Å; L61-F65 HydrophobicContact CD1-CE1 3.55Å; F65-L68 HydrophobicContact CE2-CB 4.2Å; F65-K91 HydrophobicContact CD1-CD 4.3Å; F65-K91 HydrophobicContact CD2-CB 4.28Å; F65-K91 HydrophobicContact CE1-CD 4.17Å; F65-K91 HydrophobicContact CE1-CG 4.35Å; F65-K91 HydrophobicContact CE2-CB 3.92Å; F65-K91 HydrophobicContact CE2-CG 4.24Å; F65-K91 HydrophobicContact CZ-CB 4.23Å; F65-K91 HydrophobicContact CZ-CD 4.34Å; F65-K91 HydrophobicContact CZ-CG 4.04Å; F65-K91 WeakPolarHBondContact O-CD 3.35Å; F65-I94 HydrophobicContact CE2-CD1 3.8Å; F65-I94 HydrophobicContact CZ-CD1 3.95Å; F65-Y322 HydrophobicContact CE1-CD2 4.28Å; F65-Y322 AromaticContact CE1-CE2 3.63Å; F65-Y322 HydrophobicContact CE1-CE2 3.63Å; F65-Y322 AromaticContact CE1-CZ 3.89Å; F65-Y322 HydrophobicContact CZ-CD2 4.3Å; F65-Y322 HydrophobicContact CZ-CE2 4.06Å | ||
| 66 | R | 59.8 | Low | 71.4 | Confident | 49 Ų | 49 | 49.7 Ų | 49.7 | 19% | 0.185 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -109 | -43.7 | 178.1 | -64.2 | 168.1 | 53.9 | 124.9 | -7.8 | 113.2 | D35 R90 K91 L131 F132 L287 | D35-R66 WeakPolarHBondContact OD1-CA 3.27Å; D35-R66 VanDerWaalsContact OD1-CB 3.31Å; D35-R66 WeakPolarHBondContact OD1-CB 3.41Å; D35-R66 PolarHBondContact OD1-N 3.12Å; D35-R66 PolarHBondContact OD2-N 3.01Å; R66-R90 CarbonylContact O-C 3.56Å; R66-R90 WeakPolarHBondContact O-CA 3.47Å; R66-K91 PolarHBondContact O-N 3.36Å; R66-L131 WeakPolarHBondContact CD-O 3.26Å; R66-F132 WeakPolarHBondContact CD-O 3.47Å; R66-F132 PolarHBondContact NH1-O 2.83Å; R66-L287 PolarHBondContact NH1-O 2.94Å; R66-L287 PolarHBondContact NH2-O 2.87Å |
| 67 | L | 68.1 | Low | 70.5 | Confident | 34 Ų | 34 | 49.4 Ų | 49.4 | 18% | 0.178 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 136.7 | -174.1 | -60.7 | 177 | 0 | 0 | 0 | 109.1 | M34 D35 T88 F89 R90 | M34-L67 CarbonylContact C-O 3.47Å; M34-L67 WeakPolarHBondContact CA-O 3.4Å; D35-L67 PolarHBondContact N-O 2.82Å; D35-L67 PolarHBondContact OD1-N 3.49Å; L67-T88 HydrophobicContact CB-CG2 4.01Å; L67-T88 HydrophobicContact CD1-CG2 4.34Å; L67-T88 HydrophobicContact CD2-CG2 3.91Å; L67-T88 HydrophobicContact CG-CG2 4.31Å; L67-F89 CarbonylContact C-O 3.57Å; L67-F89 VanDerWaalsContact CA-O 3.3Å; L67-F89 WeakPolarHBondContact CA-O 3.22Å; L67-R90 HydrophobicContact CD2-CB 4.46Å; L67-R90 HydrophobicContact CD2-CG 3.74Å |
| 68 | L | 78.3 | Confident | 69.6 | Low | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 118.4 | 165 | 177.1 | 72.1 | 0 | 0 | 0 | 107.5 | F5 V32 M34 I39 F65 F70 T88 F89 I94 L320 | F5-L68 HydrophobicContact CE1-CD2 3.45Å; F5-L68 VanDerWaalsContact CE1-CD2 3.45Å; F5-L68 HydrophobicContact CE2-CD2 3.75Å; F5-L68 HydrophobicContact CZ-CD2 3.02Å; F5-L68 HydrophobicContact CZ-CG 4.41Å; V32-L68 HydrophobicContact CG1-CD1 3.62Å; V32-L68 HydrophobicContact CG1-CG 4.5Å; M34-L68 HydrophobicContact CG-CD1 3.71Å; I39-L68 HydrophobicContact CD1-CD1 4.23Å; F65-L68 HydrophobicContact CE2-CB 4.2Å; L68-F70 HydrophobicContact CD2-CE2 3.6Å; L68-F70 HydrophobicContact CD2-CZ 3.78Å; L68-F70 HydrophobicContact CG-CE2 3.74Å; L68-F70 HydrophobicContact CG-CZ 4.11Å; L68-T88 CarbonylContact O-C 3.48Å; L68-T88 WeakPolarHBondContact O-CA 3.45Å; L68-F89 PolarHBondContact N-O 2.83Å; L68-F89 PolarHBondContact O-N 2.82Å; L68-I94 HydrophobicContact CB-CD1 4.21Å; L68-I94 HydrophobicContact CD2-CD1 4.26Å; L68-L320 HydrophobicContact CD2-CD2 4.36Å |
| 69 | S | 82.8 | Confident | 69.1 | Low | 3 Ų | 3 | 55.2 Ų | 55.2 | 2% | 0.021 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 127.8 | -174.9 | -61.8 | 0 | 0 | 0 | 0 | 111.2 | V32 K33 V87 T88 | V32-S69 WeakPolarHBondContact CA-O 3.48Å; K33-S69 PolarHBondContact N-O 2.78Å; K33-S69 PolarHBondContact O-N 2.97Å; S69-V87 CarbonylContact C-O 3.57Å; S69-V87 VanDerWaalsContact CA-O 3.31Å; S69-V87 WeakPolarHBondContact CA-O 3.14Å; S69-T88 VanDerWaalsContact OG-CG2 3.26Å; S69-T88 WeakPolarHBondContact OG-CG2 3.49Å; S69-T88 PolarHBondContact OG-OG1 2.75Å |
| 70 | F | 87.9 | Confident | 68.6 | Low | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 107.3 | 172.1 | -62.7 | -93.2 | 0 | 0 | 0 | 107.9 | W7 V32 L68 R86 V87 F89 L316 L318 L320 | W7-F70 HydrophobicContact CB-CZ 4.36Å; W7-F70 AromaticContact CD2-CE1 3.67Å; W7-F70 HydrophobicContact CD2-CE1 3.67Å; W7-F70 HydrophobicContact CD2-CZ 4.14Å; W7-F70 HydrophobicContact CE3-CD1 4.35Å; W7-F70 AromaticContact CE3-CE1 3.45Å; W7-F70 HydrophobicContact CE3-CE1 3.45Å; W7-F70 VanDerWaalsContact CE3-CE1 3.45Å; W7-F70 HydrophobicContact CE3-CZ 4.22Å; W7-F70 HydrophobicContact CG-CE1 4.24Å; W7-F70 HydrophobicContact CG-CZ 4.22Å; W7-F70 HydrophobicContact CH2-CE1 4.24Å; W7-F70 HydrophobicContact CZ2-CE1 4.43Å; W7-F70 HydrophobicContact CZ3-CD1 4.27Å; W7-F70 AromaticContact CZ3-CE1 3.76Å; W7-F70 HydrophobicContact CZ3-CE1 3.76Å; V32-F70 HydrophobicContact CB-CD1 4.38Å; V32-F70 HydrophobicContact CB-CE1 4.39Å; V32-F70 HydrophobicContact CG1-CD1 4.1Å; V32-F70 HydrophobicContact CG1-CE1 3.82Å; V32-F70 HydrophobicContact CG1-CZ 4.19Å; V32-F70 HydrophobicContact CG2-CD1 3.49Å; V32-F70 VanDerWaalsContact CG2-CD1 3.49Å; V32-F70 HydrophobicContact CG2-CE1 3.61Å; V32-F70 HydrophobicContact CG2-CG 4.5Å; L68-F70 HydrophobicContact CD2-CE2 3.6Å; L68-F70 HydrophobicContact CD2-CZ 3.78Å; L68-F70 HydrophobicContact CG-CE2 3.74Å; L68-F70 HydrophobicContact CG-CZ 4.11Å; F70-R86 CarbonylContact O-C 3.43Å; F70-R86 WeakPolarHBondContact O-CA 3.39Å; F70-V87 HydrophobicContact CB-CB 4.5Å; F70-V87 PolarHBondContact N-O 3.1Å; F70-V87 PolarHBondContact O-N 3.44Å; F70-F89 HydrophobicContact CD2-CD2 4.08Å; F70-F89 AromaticContact CD2-CE2 3.84Å; F70-F89 HydrophobicContact CD2-CE2 3.84Å; F70-F89 AromaticContact CE2-CD2 3.87Å; F70-F89 HydrophobicContact CE2-CD2 3.87Å; F70-F89 AromaticContact CE2-CE2 3.78Å; F70-F89 HydrophobicContact CE2-CE2 3.78Å; F70-L316 HydrophobicContact CB-CD1 4.06Å; F70-L318 HydrophobicContact CD1-CD1 4.49Å; F70-L318 HydrophobicContact CD1-CD2 4.03Å; F70-L318 HydrophobicContact CD2-CD1 3.75Å; F70-L318 HydrophobicContact CE1-CD2 4.08Å; F70-L318 HydrophobicContact CE2-CD1 4Å; F70-L318 HydrophobicContact CG-CD1 4.02Å; F70-L318 HydrophobicContact CG-CD2 4.34Å; F70-L318 HydrophobicContact CZ-CD1 4.49Å; F70-L318 HydrophobicContact CZ-CD2 4.4Å; F70-L320 HydrophobicContact CE2-CD2 3.88Å; F70-L320 HydrophobicContact CZ-CD2 3.65Å |
| 71 | Y | 85.4 | Confident | 68.9 | Low | 18 Ų | 18 | 54.6 Ų | 54.6 | 7% | 0.071 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 134.7 | 176.8 | -69.3 | -96.5 | 0 | 0 | 0 | 109.6 | C30 V31 K33 F73 R86 L109 I116 | C30-Y71 CarbonylContact C-O 3.6Å; C30-Y71 VanDerWaalsContact CA-O 3.23Å; C30-Y71 WeakPolarHBondContact CA-O 3.32Å; C30-Y71 PolarHBondContact SG-O 3.5Å; C30-Y71 VanDerWaalsContact SG-O 3.35Å; V31-Y71 PolarHBondContact N-O 3.47Å; V31-Y71 PolarHBondContact O-N 2.83Å; K33-Y71 HydrophobicContact CB-CD2 4.31Å; K33-Y71 HydrophobicContact CB-CE2 4.02Å; K33-Y71 HydrophobicContact CD-CD2 4.01Å; K33-Y71 HydrophobicContact CD-CE2 3.77Å; K33-Y71 HydrophobicContact CG-CD2 3.9Å; K33-Y71 HydrophobicContact CG-CE2 3.93Å; Y71-F73 VanDerWaalsContact CB-CE2 3.49Å; Y71-F73 HydrophobicContact CG-CE2 4.34Å; Y71-R86 HydrophobicContact CD1-CB 3.83Å; Y71-R86 HydrophobicContact CE1-CB 4.01Å; Y71-R86 HydrophobicContact CE1-CG 4.43Å; Y71-R86 HydrophobicContact CG-CB 4.24Å; Y71-R86 PolarHBondContact OH-NH1 2.79Å; Y71-L109 HydrophobicContact CD1-CD1 4.47Å; Y71-L109 HydrophobicContact CD1-CD2 4.3Å; Y71-L109 HydrophobicContact CE1-CD2 3.85Å; Y71-I116 HydrophobicContact CD1-CD1 4.47Å; Y71-I116 HydrophobicContact CE1-CD1 4.33Å |
| 72 | L | 86.3 | Confident | 69.2 | Low | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 128.4 | 174.9 | -159.9 | 71.2 | 0 | 0 | 0 | 109.3 | A12 L15 V28 C30 F53 L84 G85 L106 L316 | A12-L72 HydrophobicContact CB-CD2 4.42Å; L15-L72 HydrophobicContact CD1-CD2 3.78Å; L15-L72 HydrophobicContact CD2-CD2 3.7Å; L15-L72 HydrophobicContact CG-CD2 4.4Å; V28-L72 HydrophobicContact CG1-CD1 3.43Å; V28-L72 VanDerWaalsContact CG1-CD1 3.43Å; V28-L72 HydrophobicContact CG1-CD2 3.87Å; V28-L72 HydrophobicContact CG1-CG 3.45Å; V28-L72 VanDerWaalsContact CG1-CG 3.45Å; C30-L72 HydrophobicContact CB-CD1 4.03Å; F53-L72 HydrophobicContact CE2-CD1 4.21Å; F53-L72 HydrophobicContact CZ-CD1 3.75Å; L72-L84 HydrophobicContact CB-CB 4.3Å; L72-L84 HydrophobicContact CD2-CB 4.37Å; L72-L84 HydrophobicContact CD2-CD1 3.91Å; L72-L84 HydrophobicContact CG-CD1 4.15Å; L72-L84 PolarHBondContact O-N 2.85Å; L72-G85 PolarHBondContact N-O 2.86Å; L72-L106 HydrophobicContact CB-CD2 4.36Å; L72-L106 HydrophobicContact CD2-CD1 3.94Å; L72-L316 HydrophobicContact CD1-CD2 4.26Å; L72-L316 HydrophobicContact CD2-CD2 4.36Å |
| 73 | F | 81.8 | Confident | 70.1 | Confident | 27 Ų | 27 | 53.7 Ų | 53.7 | 12% | 0.118 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 137.4 | -179.5 | -71.2 | -89.8 | 0 | 0 | 0 | 111.2 | V28 R29 V31 Y71 A81 R82 P83 | V28-F73 CarbonylContact C-O 3.52Å; V28-F73 VanDerWaalsContact CA-O 3.28Å; V28-F73 WeakPolarHBondContact CA-O 3.3Å; V28-F73 WeakPolarHBondContact CG1-O 3.15Å; R29-F73 PolarHBondContact N-O 3.37Å; R29-F73 PolarHBondContact O-N 3.09Å; V31-F73 HydrophobicContact CB-CD2 4.11Å; V31-F73 HydrophobicContact CB-CE2 3.86Å; V31-F73 HydrophobicContact CG2-CD2 3.51Å; V31-F73 HydrophobicContact CG2-CE2 3.62Å; Y71-F73 VanDerWaalsContact CB-CE2 3.49Å; Y71-F73 HydrophobicContact CG-CE2 4.34Å; F73-A81 HydrophobicContact CB-CB 4.17Å; F73-A81 HydrophobicContact CD1-CB 4Å; F73-A81 HydrophobicContact CG-CB 4.39Å; F73-R82 CarbonylContact C-O 3.57Å; F73-R82 WeakPolarHBondContact CA-O 3.38Å; F73-P83 HydrophobicContact CD1-CB 3.89Å; F73-P83 HydrophobicContact CE1-CB 3.69Å; F73-P83 HydrophobicContact CE1-CG 4.42Å; F73-P83 HydrophobicContact CZ-CB 4.4Å |
| 74 | D | 79.8 | Confident | 71.1 | Confident | 12 Ų | 12 | 48.9 Ų | 48.9 | 6% | 0.064 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 115.1 | 167.2 | -173.5 | 3.7 | 0 | 0 | 0 | 108.7 | H26 K47 A81 R82 L84 | H26-D74 IonicContact ND1-OD1 3.33Å; K47-D74 IonicContact NZ-OD1 3.15Å; K47-D74 IonicContact NZ-OD2 3.04Å; K47-D74 PolarHBondContact NZ-OD2 3.18Å; D74-A81 WeakPolarHBondContact O-CA 3.48Å; D74-R82 PolarHBondContact N-O 3.09Å; D74-R82 PolarHBondContact O-N 3.31Å; D74-L84 HydrophobicContact CB-CD1 4.08Å; D74-L84 HydrophobicContact CB-CD2 3.93Å; D74-L84 HydrophobicContact CB-CG 3.93Å |
| 75 | H | 72.8 | Confident | 72.1 | Confident | 69 Ų | 69 | 45.6 Ų | 45.6 | 32% | 0.319 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 136.1 | 178.4 | -169.1 | -72.2 | 0 | 0 | 0 | 109.8 | C27 | C27-H75 PolarHBondContact N-O 2.98Å; C27-H75 PolarHBondContact O-N 3.08Å |
| 76 | Y | 68.8 | Low | 72.9 | Confident | 56 Ų | 56 | 46.9 Ų | 46.9 | 22% | 0.22 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 137.2 | 177.4 | 54.6 | -75.8 | 0 | 0 | 0 | 108.2 | G78 R79 A80 | Y76-G78 PolarHBondContact O-N 2.84Å; Y76-R79 HydrophobicContact CD2-CB 4.05Å; Y76-R79 HydrophobicContact CD2-CG 3.99Å; Y76-R79 HydrophobicContact CE1-CB 4.38Å; Y76-R79 HydrophobicContact CE2-CB 3.23Å; Y76-R79 HydrophobicContact CE2-CG 3.19Å; Y76-R79 PolarHBondContact O-N 3.23Å; Y76-R79 VanDerWaalsContact OH-CB 3.26Å; Y76-R79 WeakPolarHBondContact OH-CB 3.41Å; Y76-R79 WeakPolarHBondContact OH-CD 3.41Å; Y76-A80 WeakPolarHBondContact CE1-O 3.36Å |
| 77 | S | 58.4 | Low | 74.1 | Confident | 76 Ų | 76 | 45 Ų | 45 | 53% | 0.531 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | 123.7 | -177.6 | -56.5 | 0 | 0 | 0 | 0 | 110.7 | E25 | E25-S77 WeakPolarHBondContact OE2-CB 3.11Å; E25-S77 PolarHBondContact OE2-OG 3.08Å |
| 78 | G | 53.3 | Low | 74.8 | Confident | 81 Ų | 81 | 45.3 Ų | 45.3 | 84% | 0.835 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93 | 2.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | Y76 | Y76-G78 PolarHBondContact O-N 2.84Š|
| 79 | R | 56.9 | Low | 74.8 | Confident | 185 Ų | 185 | 45.7 Ų | 45.7 | 70% | 0.698 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -142 | 172.1 | 163.4 | -39.3 | -171.4 | -160.7 | 161.9 | -14.7 | 113.3 | Y76 | Y76-R79 HydrophobicContact CD2-CB 4.05Å; Y76-R79 HydrophobicContact CD2-CG 3.99Å; Y76-R79 HydrophobicContact CE1-CB 4.38Å; Y76-R79 HydrophobicContact CE2-CB 3.23Å; Y76-R79 HydrophobicContact CE2-CG 3.19Å; Y76-R79 PolarHBondContact O-N 3.23Å; Y76-R79 VanDerWaalsContact OH-CB 3.26Å; Y76-R79 WeakPolarHBondContact OH-CB 3.41Å; Y76-R79 WeakPolarHBondContact OH-CD 3.41Å |
| 80 | A | 57.7 | Low | 74.1 | Confident | 66 Ų | 66 | 49.7 Ų | 49.7 | 55% | 0.545 | 27% | 0.267 | S | S | . | . | P | Polyproline II helix | trans | -61.6 | 140.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y76 R82 | Y76-A80 WeakPolarHBondContact CE1-O 3.36Å; A80-R82 PolarHBondContact O-N 3.29Å |
| 81 | A | 67.2 | Low | 73.2 | Confident | 45 Ų | 45 | 50.6 Ų | 50.6 | 37% | 0.372 | 27% | 0.271 | S | S | . | . | P | Polyproline II helix | trans | -58.8 | 126.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | F73 D74 | F73-A81 HydrophobicContact CB-CB 4.17Å; F73-A81 HydrophobicContact CD1-CB 4Å; F73-A81 HydrophobicContact CG-CB 4.39Å; D74-A81 WeakPolarHBondContact O-CA 3.48Å |
| 82 | R | 70.9 | Confident | 72.2 | Confident | 146 Ų | 146 | 53 Ų | 53 | 55% | 0.551 | 28% | 0.283 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 125 | -179.3 | -178.2 | -179.3 | 176.6 | -176.3 | -0.1 | 109.4 | F73 D74 A80 L84 | F73-R82 CarbonylContact C-O 3.57Å; F73-R82 WeakPolarHBondContact CA-O 3.38Å; D74-R82 PolarHBondContact N-O 3.09Å; D74-R82 PolarHBondContact O-N 3.31Å; A80-R82 PolarHBondContact O-N 3.29Å; R82-L84 PolarHBondContact O-N 2.89Å |
| 83 | P | 72.9 | Confident | 71.5 | Confident | 43 Ų | 43 | 53.9 Ų | 53.9 | 28% | 0.279 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 134.5 | 178.8 | 32.4 | -36 | 0 | 0 | 0 | 110.8 | F73 L109 I116 | F73-P83 HydrophobicContact CD1-CB 3.89Å; F73-P83 HydrophobicContact CE1-CB 3.69Å; F73-P83 HydrophobicContact CE1-CG 4.42Å; F73-P83 HydrophobicContact CZ-CB 4.4Å; P83-L109 HydrophobicContact CB-CD1 3.4Å; P83-L109 HydrophobicContact CG-CD1 3.95Å; P83-I116 HydrophobicContact CB-CD1 4.27Å; P83-I116 HydrophobicContact CG-CD1 4.25Å |
| 84 | L | 77.7 | Confident | 71.1 | Confident | 40 Ų | 40 | 52.6 Ų | 52.6 | 21% | 0.209 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | -34.5 | 178.2 | -67.5 | 175.1 | 0 | 0 | 0 | 111.9 | L15 V28 L72 D74 R82 | L15-L84 HydrophobicContact CD1-CD1 4.4Å; V28-L84 HydrophobicContact CG1-CD1 4.18Å; V28-L84 HydrophobicContact CG2-CD1 4.39Å; L72-L84 HydrophobicContact CB-CB 4.3Å; L72-L84 HydrophobicContact CD2-CB 4.37Å; L72-L84 HydrophobicContact CD2-CD1 3.91Å; L72-L84 HydrophobicContact CG-CD1 4.15Å; L72-L84 PolarHBondContact O-N 2.85Å; D74-L84 HydrophobicContact CB-CD1 4.08Å; D74-L84 HydrophobicContact CB-CD2 3.93Å; D74-L84 HydrophobicContact CB-CG 3.93Å; R82-L84 PolarHBondContact O-N 2.89Å |
| 85 | G | 80.2 | Confident | 70.5 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 167.3 | -179.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L72 Q107 | L72-G85 PolarHBondContact N-O 2.86Å; G85-Q107 VanDerWaalsContact CA-O 3.28Å; G85-Q107 WeakPolarHBondContact CA-O 3.27Å |
| 86 | R | 84.8 | Confident | 70.5 | Confident | 35 Ų | 35 | 57.7 Ų | 57.7 | 13% | 0.132 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 157.3 | 174.3 | 71.4 | 172 | 179.2 | -149 | -14.8 | 113.6 | F70 Y71 T88 Q107 L109 D114 | F70-R86 CarbonylContact O-C 3.43Å; F70-R86 WeakPolarHBondContact O-CA 3.39Å; Y71-R86 HydrophobicContact CD1-CB 3.83Å; Y71-R86 HydrophobicContact CE1-CB 4.01Å; Y71-R86 HydrophobicContact CE1-CG 4.43Å; Y71-R86 HydrophobicContact CG-CB 4.24Å; Y71-R86 PolarHBondContact OH-NH1 2.79Å; R86-T88 WeakPolarHBondContact CD-OG1 3.35Å; R86-Q107 PolarHBondContact N-O 2.73Å; R86-Q107 WeakPolarHBondContact O-CB 3.47Å; R86-Q107 PolarHBondContact O-N 2.84Å; R86-L109 HydrophobicContact CB-CD2 4.36Å; R86-L109 HydrophobicContact CG-CD2 3.94Å; R86-D114 IonicContact CZ-OD1 3.69Å; R86-D114 IonicContact CZ-OD2 2.79Å; R86-D114 IonicContact NH1-OD1 3.61Å; R86-D114 PolarHBondContact NH1-OD1 2.83Å; R86-D114 IonicContact NH1-OD2 3.16Å; R86-D114 IonicContact NH2-OD1 2.72Å; R86-D114 PolarHBondContact NH2-OD1 2.78Å; R86-D114 IonicContact NH2-OD2 3Å; R86-D114 PolarHBondContact NH2-OD2 2.88Å |
| 87 | V | 85 | Confident | 70.7 | Confident | 9 Ų | 9 | 58.1 Ų | 58.1 | 6% | 0.055 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 126.4 | 162.4 | -180 | 0 | 0 | 0 | 0 | 107.6 | S69 F70 F89 F104 L106 L316 L318 | S69-V87 CarbonylContact C-O 3.57Å; S69-V87 VanDerWaalsContact CA-O 3.31Å; S69-V87 WeakPolarHBondContact CA-O 3.14Å; F70-V87 HydrophobicContact CB-CB 4.5Å; F70-V87 PolarHBondContact N-O 3.1Å; F70-V87 PolarHBondContact O-N 3.44Å; V87-F89 HydrophobicContact CB-CE2 4.44Å; V87-F89 HydrophobicContact CG1-CD2 4.26Å; V87-F89 HydrophobicContact CG1-CE1 4.48Å; V87-F89 HydrophobicContact CG1-CE2 3.43Å; V87-F89 VanDerWaalsContact CG1-CE2 3.43Å; V87-F89 HydrophobicContact CG1-CZ 3.57Å; V87-F104 HydrophobicContact CB-CB 4.42Å; V87-F104 HydrophobicContact CG1-CB 3.63Å; V87-F104 HydrophobicContact CG1-CD1 4.45Å; V87-F104 HydrophobicContact CG1-CG 4.07Å; V87-F104 HydrophobicContact CG2-CB 3.89Å; V87-L106 HydrophobicContact CG2-CD2 4.16Å; V87-L316 HydrophobicContact CG2-CB 4.31Å; V87-L316 HydrophobicContact CG2-CD1 3.98Å; V87-L316 HydrophobicContact CG2-CG 4.35Å; V87-L318 HydrophobicContact CB-CD1 4.48Å; V87-L318 HydrophobicContact CG1-CD1 4.26Å |
| 88 | T | 82.2 | Confident | 71.3 | Confident | 41 Ų | 41 | 56.2 Ų | 56.2 | 25% | 0.252 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 128.5 | -178.8 | -61.6 | 0 | 0 | 0 | 0 | 110.6 | L67 L68 S69 R86 | L67-T88 HydrophobicContact CB-CG2 4.01Å; L67-T88 HydrophobicContact CD1-CG2 4.34Å; L67-T88 HydrophobicContact CD2-CG2 3.91Å; L67-T88 HydrophobicContact CG-CG2 4.31Å; L68-T88 CarbonylContact O-C 3.48Å; L68-T88 WeakPolarHBondContact O-CA 3.45Å; S69-T88 VanDerWaalsContact OG-CG2 3.26Å; S69-T88 WeakPolarHBondContact OG-CG2 3.49Å; S69-T88 PolarHBondContact OG-OG1 2.75Å; R86-T88 WeakPolarHBondContact CD-OG1 3.35Å |
| 89 | F | 77.9 | Confident | 72.1 | Confident | 7 Ų | 7 | 56 Ų | 56 | 3% | 0.031 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 136.1 | 174 | -59.5 | -87 | 0 | 0 | 0 | 109.6 | L67 L68 F70 V87 I94 Y97 F104 L318 L320 | L67-F89 CarbonylContact C-O 3.57Å; L67-F89 VanDerWaalsContact CA-O 3.3Å; L67-F89 WeakPolarHBondContact CA-O 3.22Å; L68-F89 PolarHBondContact N-O 2.83Å; L68-F89 PolarHBondContact O-N 2.82Å; F70-F89 HydrophobicContact CD2-CD2 4.08Å; F70-F89 AromaticContact CD2-CE2 3.84Å; F70-F89 HydrophobicContact CD2-CE2 3.84Å; F70-F89 AromaticContact CE2-CD2 3.87Å; F70-F89 HydrophobicContact CE2-CD2 3.87Å; F70-F89 AromaticContact CE2-CE2 3.78Å; F70-F89 HydrophobicContact CE2-CE2 3.78Å; V87-F89 HydrophobicContact CB-CE2 4.44Å; V87-F89 HydrophobicContact CG1-CD2 4.26Å; V87-F89 HydrophobicContact CG1-CE1 4.48Å; V87-F89 HydrophobicContact CG1-CE2 3.43Å; V87-F89 VanDerWaalsContact CG1-CE2 3.43Å; V87-F89 HydrophobicContact CG1-CZ 3.57Å; F89-I94 HydrophobicContact CB-CD1 4.3Å; F89-I94 HydrophobicContact CB-CG1 3.77Å; F89-Y97 AromaticContact CD1-CD2 3.89Å; F89-Y97 HydrophobicContact CD1-CD2 3.89Å; F89-Y97 AromaticContact CD1-CE2 4Å; F89-Y97 HydrophobicContact CD1-CE2 4Å; F89-Y97 AromaticContact CE1-CD2 3.9Å; F89-Y97 HydrophobicContact CE1-CD2 3.9Å; F89-Y97 HydrophobicContact CE1-CE2 4.1Å; F89-F104 AromaticContact CE1-CD1 3.79Å; F89-F104 HydrophobicContact CE1-CD1 3.79Å; F89-F104 AromaticContact CE1-CE1 3.39Å; F89-F104 HydrophobicContact CE1-CE1 3.39Å; F89-F104 HydrophobicContact CE1-CE2 4.18Å; F89-F104 HydrophobicContact CE1-CG 4.35Å; F89-F104 AromaticContact CE1-CZ 3.59Å; F89-F104 HydrophobicContact CE1-CZ 3.59Å; F89-F104 AromaticContact CZ-CD1 3.73Å; F89-F104 HydrophobicContact CZ-CD1 3.73Å; F89-F104 AromaticContact CZ-CD2 3.84Å; F89-F104 HydrophobicContact CZ-CD2 3.84Å; F89-F104 AromaticContact CZ-CE1 3.67Å; F89-F104 HydrophobicContact CZ-CE1 3.67Å; F89-F104 AromaticContact CZ-CE2 3.76Å; F89-F104 HydrophobicContact CZ-CE2 3.76Å; F89-F104 AromaticContact CZ-CG 3.81Å; F89-F104 HydrophobicContact CZ-CG 3.81Å; F89-F104 AromaticContact CZ-CZ 3.67Å; F89-F104 HydrophobicContact CZ-CZ 3.67Å; F89-L318 HydrophobicContact CE2-CD1 3.68Å; F89-L318 HydrophobicContact CZ-CD1 3.95Å; F89-L320 HydrophobicContact CD1-CD1 3.78Å; F89-L320 HydrophobicContact CD2-CD1 3.66Å; F89-L320 HydrophobicContact CE1-CD1 3.71Å; F89-L320 HydrophobicContact CE2-CD1 3.6Å; F89-L320 HydrophobicContact CG-CD1 3.76Å; F89-L320 HydrophobicContact CZ-CD1 3.62Å |
| 90 | R | 68.4 | Low | 72.9 | Confident | 87 Ų | 87 | 52 Ų | 52 | 33% | 0.328 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 142.4 | 162.8 | -64.5 | 178.7 | -72 | 164 | 5.1 | 108.4 | R66 L67 E92 D93 I94 | R66-R90 CarbonylContact O-C 3.56Å; R66-R90 WeakPolarHBondContact O-CA 3.47Å; L67-R90 HydrophobicContact CD2-CB 4.46Å; L67-R90 HydrophobicContact CD2-CG 3.74Å; R90-E92 HydrophobicContact CB-CG 3.91Å; R90-E92 IonicContact CZ-OE1 2.76Å; R90-E92 IonicContact NE-OE1 3.65Å; R90-E92 IonicContact NH1-OE1 3.81Å; R90-E92 PolarHBondContact NH1-OE1 2.9Å; R90-E92 IonicContact NH2-OE1 3.42Å; R90-E92 PolarHBondContact O-N 2.86Å; R90-E92 VanDerWaalsContact O-N 3.12Å; R90-D93 HydrophobicContact CB-CB 4.39Å; R90-D93 IonicContact CZ-OD2 3.53Å; R90-D93 IonicContact NE-OD2 3.45Å; R90-D93 PolarHBondContact NE-OD2 2.72Å; R90-D93 IonicContact NH2-OD1 2.81Å; R90-D93 PolarHBondContact NH2-OD1 3.11Å; R90-D93 IonicContact NH2-OD2 3.55Å; R90-D93 PolarHBondContact NH2-OD2 3.37Å; R90-D93 WeakPolarHBondContact O-CA 3.42Å; R90-D93 WeakPolarHBondContact O-CB 3.21Å; R90-D93 PolarHBondContact O-N 2.98Å; R90-I94 WeakPolarHBondContact O-CG1 3.48Å; R90-I94 PolarHBondContact O-N 2.97Å |
| 91 | K | 69.4 | Low | 74.1 | Confident | 19 Ų | 19 | 53.4 Ų | 53.4 | 8% | 0.083 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -47.2 | -43 | 177.1 | 174.3 | 176.5 | 155.8 | 166.1 | 0 | 112 | N64 F65 R66 D93 I94 Y322 N835 | N64-K91 PolarHBondContact OD1-NZ 2.84Å; F65-K91 HydrophobicContact CD1-CD 4.3Å; F65-K91 HydrophobicContact CD2-CB 4.28Å; F65-K91 HydrophobicContact CE1-CD 4.17Å; F65-K91 HydrophobicContact CE1-CG 4.35Å; F65-K91 HydrophobicContact CE2-CB 3.92Å; F65-K91 HydrophobicContact CE2-CG 4.24Å; F65-K91 HydrophobicContact CZ-CB 4.23Å; F65-K91 HydrophobicContact CZ-CD 4.34Å; F65-K91 HydrophobicContact CZ-CG 4.04Å; F65-K91 WeakPolarHBondContact O-CD 3.35Å; R66-K91 PolarHBondContact O-N 3.36Å; K91-D93 VanDerWaalsContact C-N 3.32Å; K91-D93 PolarHBondContact O-N 3.46Å; K91-I94 PolarHBondContact O-N 2.92Å; K91-Y322 HydrophobicContact CD-CE1 4.25Å; K91-Y322 WeakPolarHBondContact CE-OH 3.35Å; K91-Y322 HydrophobicContact CG-CE1 3.93Å; K91-Y322 PolarHBondContact NZ-OH 3.33Å; K91-N835 WeakPolarHBondContact CE-OD1 3.19Å; K91-N835 PolarHBondContact NZ-OD1 2.78Å |
| 92 | E | 63.4 | Low | 74.9 | Confident | 69 Ų | 69 | 56 Ų | 56 | 32% | 0.322 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63.5 | -30.7 | 177.1 | 68.4 | -165.5 | -157.2 | 0 | 0 | 114.1 | R90 | R90-E92 HydrophobicContact CB-CG 3.91Å; R90-E92 IonicContact CZ-OE1 2.76Å; R90-E92 IonicContact NE-OE1 3.65Å; R90-E92 IonicContact NH1-OE1 3.81Å; R90-E92 PolarHBondContact NH1-OE1 2.9Å; R90-E92 IonicContact NH2-OE1 3.42Å; R90-E92 PolarHBondContact O-N 2.86Å; R90-E92 VanDerWaalsContact O-N 3.12Å |
| 93 | D | 71.5 | Confident | 75.6 | Confident | 18 Ų | 18 | 54 Ų | 54 | 10% | 0.096 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -84.8 | -18.4 | -177.9 | -70.3 | -37.4 | 0 | 0 | 0 | 112.4 | R90 K91 A95 K96 Y97 | R90-D93 HydrophobicContact CB-CB 4.39Å; R90-D93 IonicContact CZ-OD2 3.53Å; R90-D93 IonicContact NE-OD2 3.45Å; R90-D93 PolarHBondContact NE-OD2 2.72Å; R90-D93 IonicContact NH2-OD1 2.81Å; R90-D93 PolarHBondContact NH2-OD1 3.11Å; R90-D93 IonicContact NH2-OD2 3.55Å; R90-D93 PolarHBondContact NH2-OD2 3.37Å; R90-D93 WeakPolarHBondContact O-CA 3.42Å; R90-D93 WeakPolarHBondContact O-CB 3.21Å; R90-D93 PolarHBondContact O-N 2.98Å; K91-D93 VanDerWaalsContact C-N 3.32Å; K91-D93 PolarHBondContact O-N 3.46Å; D93-A95 VanDerWaalsContact C-N 3.28Å; D93-A95 PolarHBondContact O-N 3Å; D93-K96 HydrophobicContact CB-CD 4.49Å; D93-K96 VanDerWaalsContact O-CB 3.26Å; D93-K96 WeakPolarHBondContact O-CB 3.48Å; D93-K96 PolarHBondContact O-N 2.76Å; D93-K96 WeakPolarHBondContact OD1-CE 3.42Å; D93-K96 IonicContact OD1-NZ 2.79Å; D93-K96 PolarHBondContact OD1-NZ 2.79Å; D93-Y97 HydrophobicContact CB-CE2 4.2Å; D93-Y97 WeakPolarHBondContact O-CD2 3.23Å; D93-Y97 WeakPolarHBondContact O-CE2 3.47Å |
| 94 | I | 73.5 | Confident | 76.3 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.7 | -38.9 | -175.7 | -62.2 | 172.4 | 0 | 0 | 0 | 111.1 | F5 F65 L68 F89 R90 K91 K96 Y97 S98 L320 | F5-I94 HydrophobicContact CE2-CD1 3.64Å; F5-I94 HydrophobicContact CE2-CG2 3.92Å; F5-I94 HydrophobicContact CZ-CD1 4.26Å; F5-I94 HydrophobicContact CZ-CG2 4.34Å; F65-I94 HydrophobicContact CE2-CD1 3.8Å; F65-I94 HydrophobicContact CZ-CD1 3.95Å; L68-I94 HydrophobicContact CB-CD1 4.21Å; L68-I94 HydrophobicContact CD2-CD1 4.26Å; F89-I94 HydrophobicContact CB-CD1 4.3Å; F89-I94 HydrophobicContact CB-CG1 3.77Å; R90-I94 WeakPolarHBondContact O-CG1 3.48Å; R90-I94 PolarHBondContact O-N 2.97Å; K91-I94 PolarHBondContact O-N 2.92Å; I94-K96 PolarHBondContact O-N 3.4Å; I94-K96 VanDerWaalsContact O-N 3.16Å; I94-Y97 CarbonylContact O-C 3.48Å; I94-Y97 PolarHBondContact O-N 2.91Å; I94-S98 PolarHBondContact O-N 2.82Å; I94-L320 HydrophobicContact CG2-CB 4.01Å; I94-L320 HydrophobicContact CG2-CD1 4.35Å |
| 95 | A | 68.8 | Low | 76.7 | Confident | 58 Ų | 58 | 56.7 Ų | 56.7 | 48% | 0.479 | 27% | 0.27 | S | S | . | . | G | 310 helix | trans | -58.3 | -29.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | D93 Y97 S98 | D93-A95 VanDerWaalsContact C-N 3.28Å; D93-A95 PolarHBondContact O-N 3Å; A95-Y97 PolarHBondContact O-N 3Å; A95-S98 PolarHBondContact O-N 2.77Å |
| 96 | K | 72 | Confident | 76.8 | Confident | 130 Ų | 130 | 57 Ų | 57 | 57% | 0.565 | 27% | 0.272 | S | S | * | . | G | 310 helix | trans | -68.5 | -19.6 | 177.7 | -57.1 | 174.7 | 180 | 166.9 | 0 | 112.9 | D93 I94 | D93-K96 HydrophobicContact CB-CD 4.49Å; D93-K96 VanDerWaalsContact O-CB 3.26Å; D93-K96 WeakPolarHBondContact O-CB 3.48Å; D93-K96 PolarHBondContact O-N 2.76Å; D93-K96 WeakPolarHBondContact OD1-CE 3.42Å; D93-K96 IonicContact OD1-NZ 2.79Å; D93-K96 PolarHBondContact OD1-NZ 2.79Å; I94-K96 PolarHBondContact O-N 3.4Å; I94-K96 VanDerWaalsContact O-N 3.16Å |
| 97 | Y | 73.4 | Confident | 76.4 | Confident | 66 Ų | 66 | 60.1 Ų | 60.1 | 26% | 0.259 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -115.7 | 9.7 | -177.6 | -49.1 | -67.8 | 0 | 0 | 0 | 112.5 | F89 D93 I94 A95 D99 F104 | F89-Y97 AromaticContact CD1-CD2 3.89Å; F89-Y97 HydrophobicContact CD1-CD2 3.89Å; F89-Y97 AromaticContact CD1-CE2 4Å; F89-Y97 HydrophobicContact CD1-CE2 4Å; F89-Y97 AromaticContact CE1-CD2 3.9Å; F89-Y97 HydrophobicContact CE1-CD2 3.9Å; F89-Y97 HydrophobicContact CE1-CE2 4.1Å; D93-Y97 HydrophobicContact CB-CE2 4.2Å; D93-Y97 WeakPolarHBondContact O-CD2 3.23Å; D93-Y97 WeakPolarHBondContact O-CE2 3.47Å; I94-Y97 CarbonylContact O-C 3.48Å; I94-Y97 PolarHBondContact O-N 2.91Å; A95-Y97 PolarHBondContact O-N 3Å; Y97-D99 PolarHBondContact O-N 3.42Å; Y97-F104 HydrophobicContact CD1-CE1 4.08Å; Y97-F104 HydrophobicContact CD1-CZ 4.05Å; Y97-F104 HydrophobicContact CE1-CE1 4.1Å; Y97-F104 HydrophobicContact CG-CE1 4.3Å; Y97-F104 HydrophobicContact CG-CZ 4.07Å |
| 98 | S | 70.2 | Confident | 75.7 | Confident | 35 Ų | 35 | 62.1 Ų | 62.1 | 25% | 0.245 | 30% | 0.301 | C | S | . | . | B | Isolated β-bridge | trans | -59.9 | 135.3 | -173.9 | -164.8 | 0 | 0 | 0 | 0 | 111.9 | I94 A95 Q100 L320 | I94-S98 PolarHBondContact O-N 2.82Å; A95-S98 PolarHBondContact O-N 2.77Å; S98-Q100 PolarHBondContact O-N 2.67Å; S98-Q100 VanDerWaalsContact O-N 3.07Å; S98-L320 CarbonylContact C-O 3.52Å; S98-L320 VanDerWaalsContact CA-O 3.23Å; S98-L320 WeakPolarHBondContact CA-O 3.31Å |
| 99 | D | 69.8 | Low | 74.8 | Confident | 77 Ų | 77 | 62.2 Ų | 62.2 | 41% | 0.412 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.6 | 12.5 | 173.3 | -56.6 | -71.9 | 0 | 0 | 0 | 115.6 | Y97 Q319 L320 R321 | Y97-D99 PolarHBondContact O-N 3.42Å; D99-Q319 PolarHBondContact O-NE2 2.78Å; D99-L320 PolarHBondContact N-O 2.78Å; D99-R321 VanDerWaalsContact OD1-CD 3.26Å; D99-R321 WeakPolarHBondContact OD1-CD 3.04Å; D99-R321 IonicContact OD1-CZ 2.88Å; D99-R321 IonicContact OD1-NE 3.67Å; D99-R321 IonicContact OD1-NH1 3.4Å; D99-R321 PolarHBondContact OD1-NH1 2.78Å; D99-R321 IonicContact OD2-NH1 2.76Å |
| 100 | Q | 74 | Confident | 73.4 | Confident | 100 Ų | 100 | 66.4 Ų | 66.4 | 47% | 0.467 | 32% | 0.319 | S | S | . | . | trans | -115.6 | 128.3 | 176.2 | -63 | -174.5 | 4.3 | 0 | 0 | 112 | S98 R102 | S98-Q100 PolarHBondContact O-N 2.67Å; S98-Q100 VanDerWaalsContact O-N 3.07Å; Q100-R102 HydrophobicContact CB-CG 4.31Å; Q100-R102 PolarHBondContact O-N 3.41Å; Q100-R102 VanDerWaalsContact OE1-CZ 3.27Å | ||
| 101 | E | 82.6 | Confident | 72.1 | Confident | 97 Ų | 97 | 65.3 Ų | 65.3 | 45% | 0.453 | 34% | 0.335 | S | S | . | . | trans | -70.4 | 119.2 | 169.1 | -74.7 | -176.2 | -170.9 | 0 | 0 | 110.1 | K317 Q319 | E101-K317 WeakPolarHBondContact OE2-CE 3.23Å; E101-K317 IonicContact OE2-NZ 3.76Å; E101-K317 PolarHBondContact OE2-NZ 2.74Å; E101-Q319 HydrophobicContact CG-CB 3.9Å; E101-Q319 HydrophobicContact CG-CG 4.32Å | ||
| 102 | R | 84.5 | Confident | 70.4 | Confident | 98 Ų | 98 | 70.9 Ų | 70.9 | 37% | 0.37 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 152.7 | -179.8 | -67.2 | -171.3 | -179.5 | -170.5 | 3.3 | 112.3 | Q100 F104 K317 L318 | Q100-R102 HydrophobicContact CB-CG 4.31Å; Q100-R102 PolarHBondContact O-N 3.41Å; Q100-R102 VanDerWaalsContact OE1-CZ 3.27Å; R102-F104 HydrophobicContact CB-CE2 3.74Å; R102-F104 HydrophobicContact CB-CZ 3.81Å; R102-F104 WeakPolarHBondContact O-CD2 3.17Å; R102-F104 WeakPolarHBondContact O-CE2 3.23Å; R102-K317 WeakPolarHBondContact O-CA 3.22Å; R102-L318 PolarHBondContact N-O 2.93Å; R102-L318 PolarHBondContact O-N 2.8Å |
| 103 | W | 86.1 | Confident | 69.2 | Low | 104 Ų | 104 | 71.4 Ų | 71.4 | 39% | 0.394 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 131.9 | 172.2 | -71.7 | 100.4 | 0 | 0 | 0 | 110.8 | E11 R13 L316 K317 | E11-W103 HydrophobicContact CG-CH2 3.68Å; E11-W103 HydrophobicContact CG-CZ2 4.32Å; E11-W103 HydrophobicContact CG-CZ3 4.43Å; E11-W103 VanDerWaalsContact OE1-CH2 3.26Å; E11-W103 WeakPolarHBondContact OE1-CH2 3.36Å; E11-W103 VanDerWaalsContact OE1-CZ2 3.26Å; E11-W103 WeakPolarHBondContact OE1-CZ2 3.45Å; R13-W103 HydrophobicContact CB-CE3 4.35Å; R13-W103 HydrophobicContact CB-CH2 3.5Å; R13-W103 HydrophobicContact CB-CZ2 4.5Å; R13-W103 HydrophobicContact CB-CZ3 3.42Å; R13-W103 VanDerWaalsContact CB-CZ3 3.42Å; R13-W103 HydrophobicContact CG-CH2 4.46Å; W103-L316 CarbonylContact C-O 3.42Å; W103-L316 WeakPolarHBondContact CA-O 3.46Å; W103-K317 HydrophobicContact CD2-CB 3.97Å; W103-K317 HydrophobicContact CD2-CG 4.3Å; W103-K317 HydrophobicContact CE3-CB 3.8Å; W103-K317 HydrophobicContact CH2-CB 3.91Å; W103-K317 HydrophobicContact CH2-CD 4.48Å; W103-K317 HydrophobicContact CZ2-CB 4.06Å; W103-K317 HydrophobicContact CZ2-CD 3.91Å; W103-K317 HydrophobicContact CZ2-CG 4.36Å; W103-K317 HydrophobicContact CZ3-CB 3.77Å |
| 104 | F | 86.1 | Confident | 67.6 | Low | 27 Ų | 27 | 71.9 Ų | 71.9 | 12% | 0.118 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 126.3 | 177.6 | -61.9 | -82.3 | 0 | 0 | 0 | 109.8 | V87 F89 Y97 R102 S315 L316 L318 | V87-F104 HydrophobicContact CB-CB 4.42Å; V87-F104 HydrophobicContact CG1-CB 3.63Å; V87-F104 HydrophobicContact CG1-CD1 4.45Å; V87-F104 HydrophobicContact CG1-CG 4.07Å; V87-F104 HydrophobicContact CG2-CB 3.89Å; F89-F104 AromaticContact CE1-CD1 3.79Å; F89-F104 HydrophobicContact CE1-CD1 3.79Å; F89-F104 AromaticContact CE1-CE1 3.39Å; F89-F104 HydrophobicContact CE1-CE1 3.39Å; F89-F104 HydrophobicContact CE1-CE2 4.18Å; F89-F104 HydrophobicContact CE1-CG 4.35Å; F89-F104 AromaticContact CE1-CZ 3.59Å; F89-F104 HydrophobicContact CE1-CZ 3.59Å; F89-F104 AromaticContact CZ-CD1 3.73Å; F89-F104 HydrophobicContact CZ-CD1 3.73Å; F89-F104 AromaticContact CZ-CD2 3.84Å; F89-F104 HydrophobicContact CZ-CD2 3.84Å; F89-F104 AromaticContact CZ-CE1 3.67Å; F89-F104 HydrophobicContact CZ-CE1 3.67Å; F89-F104 AromaticContact CZ-CE2 3.76Å; F89-F104 HydrophobicContact CZ-CE2 3.76Å; F89-F104 AromaticContact CZ-CG 3.81Å; F89-F104 HydrophobicContact CZ-CG 3.81Å; F89-F104 AromaticContact CZ-CZ 3.67Å; F89-F104 HydrophobicContact CZ-CZ 3.67Å; Y97-F104 HydrophobicContact CD1-CE1 4.08Å; Y97-F104 HydrophobicContact CD1-CZ 4.05Å; Y97-F104 HydrophobicContact CE1-CE1 4.1Å; Y97-F104 HydrophobicContact CG-CE1 4.3Å; Y97-F104 HydrophobicContact CG-CZ 4.07Å; R102-F104 HydrophobicContact CB-CE2 3.74Å; R102-F104 HydrophobicContact CB-CZ 3.81Å; R102-F104 WeakPolarHBondContact O-CD2 3.17Å; R102-F104 WeakPolarHBondContact O-CE2 3.23Å; F104-S315 CarbonylContact O-C 3.56Å; F104-S315 WeakPolarHBondContact O-CA 3.46Å; F104-S315 WeakPolarHBondContact O-CB 3.36Å; F104-L316 PolarHBondContact N-O 3.3Å; F104-L316 PolarHBondContact O-N 3.26Å; F104-L318 HydrophobicContact CD2-CB 3.88Å; F104-L318 HydrophobicContact CD2-CD1 4Å; F104-L318 HydrophobicContact CD2-CG 4.21Å; F104-L318 HydrophobicContact CE2-CB 3.87Å |
| 105 | N | 86.2 | Confident | 65.5 | Low | 113 Ų | 113 | 76.5 Ų | 76.5 | 60% | 0.604 | 41% | 0.413 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 135.5 | -179.9 | -68.2 | -21.8 | 0 | 0 | 0 | 111.1 | Q107 S315 | N105-Q107 PolarHBondContact O-N 3.38Å; N105-S315 PolarHBondContact OD1-OG 2.78Å |
| 106 | L | 83.2 | Confident | 63.8 | Low | 8 Ų | 8 | 77.6 Ų | 77.6 | 4% | 0.042 | 41% | 0.41 | C | S | . | . | P | Polyproline II helix | trans | -68.8 | 124.9 | 175.7 | -75.1 | 166.4 | 0 | 0 | 0 | 109.7 | L15 L72 V87 H313 G314 L316 | L15-L106 HydrophobicContact CD2-CD1 3.7Å; L72-L106 HydrophobicContact CB-CD2 4.36Å; L72-L106 HydrophobicContact CD2-CD1 3.94Å; V87-L106 HydrophobicContact CG2-CD2 4.16Å; L106-H313 HydrophobicContact CB-CB 4.36Å; L106-H313 WeakPolarHBondContact CD1-O 3.14Å; L106-G314 WeakPolarHBondContact CB-O 3.43Å; L106-G314 PolarHBondContact N-O 2.61Å; L106-L316 HydrophobicContact CD2-CD1 3.87Å; L106-L316 HydrophobicContact CD2-CG 3.87Å; L106-L316 HydrophobicContact CG-CG 4.26Å |
| 107 | Q | 76.7 | Confident | 61.7 | Low | 100 Ų | 100 | 74.8 Ų | 74.8 | 47% | 0.467 | 40% | 0.403 | S | S | . | . | B | Isolated β-bridge | trans | -83.4 | 134.5 | 173.5 | -64.4 | -175.4 | -16.8 | 0 | 0 | 110.3 | G85 R86 N105 | G85-Q107 VanDerWaalsContact CA-O 3.28Å; G85-Q107 WeakPolarHBondContact CA-O 3.27Å; R86-Q107 PolarHBondContact N-O 2.73Å; R86-Q107 WeakPolarHBondContact O-CB 3.47Å; R86-Q107 PolarHBondContact O-N 2.84Å; N105-Q107 PolarHBondContact O-N 3.38Å |
| 108 | P | 69.9 | Low | 59.6 | Low | 51 Ų | 51 | 77 Ų | 77 | 33% | 0.331 | 43% | 0.428 | S | S | . | . | P | Polyproline II helix | trans | -66.2 | 135.8 | 172 | 23.9 | -31.8 | 0 | 0 | 0 | 111.6 | H110 | P108-H110 PolarHBondContact O-ND1 3.3Å; P108-H110 VanDerWaalsContact O-ND1 3.14Å |
| 109 | L | 63.5 | Low | 57.6 | Low | 42 Ų | 42 | 79.1 Ų | 79.1 | 22% | 0.22 | 44% | 0.436 | C | S | . | . | P | Polyproline II helix | trans | -81.6 | 117.6 | 176.3 | -66.9 | 155.5 | 0 | 0 | 0 | 109.1 | Y71 P83 R86 D114 I116 | Y71-L109 HydrophobicContact CD1-CD1 4.47Å; Y71-L109 HydrophobicContact CD1-CD2 4.3Å; Y71-L109 HydrophobicContact CE1-CD2 3.85Å; P83-L109 HydrophobicContact CB-CD1 3.4Å; P83-L109 HydrophobicContact CG-CD1 3.95Å; R86-L109 HydrophobicContact CB-CD2 4.36Å; R86-L109 HydrophobicContact CG-CD2 3.94Å; L109-D114 HydrophobicContact CD2-CB 4.22Å; L109-I116 HydrophobicContact CD1-CD1 3.98Å; L109-I116 HydrophobicContact CD2-CD1 4.29Å |
| 110 | H | 47.8 | Very low | 55.6 | Low | 95 Ų | 95 | 80.4 Ų | 80.4 | 44% | 0.44 | 45% | 0.447 | S | S | . | . | P | Polyproline II helix | trans | -101 | 129.4 | -177.4 | -76.3 | 69.1 | 0 | 0 | 0 | 110.8 | P108 T112 S113 D114 | P108-H110 PolarHBondContact O-ND1 3.3Å; P108-H110 VanDerWaalsContact O-ND1 3.14Å; H110-T112 PolarHBondContact O-N 3.09Å; H110-S113 PolarHBondContact O-N 2.97Å; H110-D114 PolarHBondContact O-N 3.13Å |
| 111 | G | 41 | Very low | 53.6 | Low | 64 Ų | 64 | 80.2 Ų | 80.2 | 66% | 0.66 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | 2.6 | -166 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||
| 112 | T | 35 | Very low | 51.3 | Low | 137 Ų | 137 | 78.5 Ų | 78.5 | 84% | 0.84 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.6 | -17.1 | -178.5 | 51.1 | 0 | 0 | 0 | 0 | 114.3 | H110 | H110-T112 PolarHBondContact O-N 3.09Š|
| 113 | S | 37.4 | Very low | 48.8 | Very low | 80 Ų | 80 | 79 Ų | 79 | 56% | 0.559 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.6 | -18.5 | 172.5 | 58.1 | 0 | 0 | 0 | 0 | 113.3 | H110 | H110-S113 PolarHBondContact O-N 2.97Š|
| 114 | D | 38.4 | Very low | 46.5 | Very low | 28 Ų | 28 | 77.7 Ų | 77.7 | 15% | 0.15 | 46% | 0.462 | C | S | . | . | trans | -122.3 | 52.5 | -175.2 | -58.6 | -52.6 | 0 | 0 | 0 | 110 | R86 L109 H110 I116 | R86-D114 IonicContact CZ-OD1 3.69Å; R86-D114 IonicContact CZ-OD2 2.79Å; R86-D114 IonicContact NH1-OD1 3.61Å; R86-D114 PolarHBondContact NH1-OD1 2.83Å; R86-D114 IonicContact NH1-OD2 3.16Å; R86-D114 IonicContact NH2-OD1 2.72Å; R86-D114 PolarHBondContact NH2-OD1 2.78Å; R86-D114 IonicContact NH2-OD2 3Å; R86-D114 PolarHBondContact NH2-OD2 2.88Å; L109-D114 HydrophobicContact CD2-CB 4.22Å; H110-D114 PolarHBondContact O-N 3.13Å; D114-I116 PolarHBondContact O-N 3.2Å | ||
| 115 | V | 29.6 | Very low | 44 | Very low | 97 Ų | 97 | 80.2 Ų | 80.2 | 59% | 0.588 | 48% | 0.476 | S | S | * | . | trans | -67.5 | 81 | 176.3 | -157.9 | 0 | 0 | 0 | 0 | 108.8 | V117 | V115-V117 HydrophobicContact CB-CG2 4.14Å; V115-V117 HydrophobicContact CG1-CB 4.2Å; V115-V117 HydrophobicContact CG1-CG2 3.3Å; V115-V117 PolarHBondContact O-N 2.99Å | ||
| 116 | I | 31.7 | Very low | 41.6 | Very low | 81 Ų | 81 | 82 Ų | 82 | 42% | 0.415 | 49% | 0.485 | S | S | . | . | trans | -68.4 | 75.8 | 154.4 | -57.8 | 172.8 | 0 | 0 | 0 | 103.7 | Y71 P83 L109 D114 S118 | Y71-I116 HydrophobicContact CD1-CD1 4.47Å; Y71-I116 HydrophobicContact CE1-CD1 4.33Å; P83-I116 HydrophobicContact CB-CD1 4.27Å; P83-I116 HydrophobicContact CG-CD1 4.25Å; L109-I116 HydrophobicContact CD1-CD1 3.98Å; L109-I116 HydrophobicContact CD2-CD1 4.29Å; D114-I116 PolarHBondContact O-N 3.2Å; I116-S118 PolarHBondContact O-N 3.34Å | ||
| 117 | V | 28.3 | Very low | 39.3 | Very low | 71 Ų | 71 | 87.6 Ų | 87.6 | 43% | 0.43 | 51% | 0.514 | S | S | . | . | trans | -65.7 | 121.8 | 169 | -147.3 | 0 | 0 | 0 | 0 | 104.7 | V115 L119 | V115-V117 HydrophobicContact CB-CG2 4.14Å; V115-V117 HydrophobicContact CG1-CB 4.2Å; V115-V117 HydrophobicContact CG1-CG2 3.3Å; V115-V117 PolarHBondContact O-N 2.99Å; V117-L119 HydrophobicContact CB-CB 4.2Å; V117-L119 HydrophobicContact CB-CD1 3.53Å; V117-L119 HydrophobicContact CB-CG 3.62Å; V117-L119 HydrophobicContact CG1-CB 4.36Å; V117-L119 HydrophobicContact CG1-CD1 3.49Å; V117-L119 VanDerWaalsContact CG1-CD1 3.49Å; V117-L119 HydrophobicContact CG1-CD2 4.23Å; V117-L119 HydrophobicContact CG1-CG 3.36Å; V117-L119 HydrophobicContact CG2-CD1 3.8Å; V117-L119 HydrophobicContact CG2-CG 4.44Å; V117-L119 PolarHBondContact O-N 3.14Å | ||
| 118 | S | 29.8 | Very low | 37 | Very low | 111 Ų | 111 | 86.9 Ų | 86.9 | 78% | 0.776 | 51% | 0.513 | S | S | * | . | trans | -65.5 | 53.3 | 163.1 | 60.2 | 0 | 0 | 0 | 0 | 110.1 | I116 | I116-S118 PolarHBondContact O-N 3.34Š| ||
| 119 | L | 27.7 | Very low | 35.1 | Very low | 80 Ų | 80 | 89.5 Ų | 89.5 | 42% | 0.419 | 53% | 0.532 | S | S | . | . | trans | -89.9 | 132.3 | 174.4 | -75.5 | 166.3 | 0 | 0 | 0 | 107.6 | V117 L123 | V117-L119 HydrophobicContact CB-CB 4.2Å; V117-L119 HydrophobicContact CB-CD1 3.53Å; V117-L119 HydrophobicContact CB-CG 3.62Å; V117-L119 HydrophobicContact CG1-CB 4.36Å; V117-L119 HydrophobicContact CG1-CD1 3.49Å; V117-L119 VanDerWaalsContact CG1-CD1 3.49Å; V117-L119 HydrophobicContact CG1-CD2 4.23Å; V117-L119 HydrophobicContact CG1-CG 3.36Å; V117-L119 HydrophobicContact CG2-CD1 3.8Å; V117-L119 HydrophobicContact CG2-CG 4.44Å; V117-L119 PolarHBondContact O-N 3.14Å; L119-L123 HydrophobicContact CD1-CD2 4.43Å | ||
| 120 | T | 28.9 | Very low | 33.5 | Very low | 104 Ų | 104 | 90.4 Ų | 90.4 | 64% | 0.638 | 54% | 0.542 | S | S | * | . | trans | -34.9 | 144 | 174.2 | 5.4 | 0 | 0 | 0 | 0 | 112.6 | C122 L123 | T120-C122 PolarHBondContact O-N 3.38Å; T120-L123 PolarHBondContact O-N 3.43Å | ||
| 121 | P | 30.6 | Very low | 33.1 | Very low | 96 Ų | 96 | 87.1 Ų | 87.1 | 62% | 0.623 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | -11.8 | -173.3 | -25.8 | 33.9 | 0 | 0 | 0 | 116 | ||
| 122 | C | 35.1 | Very low | 33.5 | Very low | 62 Ų | 62 | 85.5 Ų | 85.5 | 42% | 0.419 | 50% | 0.502 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -9.7 | -175.2 | -59.6 | 0 | 0 | 0 | 0 | 115.5 | T120 | T120-C122 PolarHBondContact O-N 3.38Š|
| 123 | L | 31.4 | Very low | 34.4 | Very low | 109 Ų | 109 | 83.8 Ų | 83.8 | 57% | 0.571 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.5 | -17.6 | 177.6 | -127.8 | 82 | 0 | 0 | 0 | 114.3 | L119 T120 L125 | L119-L123 HydrophobicContact CD1-CD2 4.43Å; T120-L123 PolarHBondContact O-N 3.43Å; L123-L125 VanDerWaalsContact C-N 3.28Å; L123-L125 PolarHBondContact O-N 3.09Å |
| 124 | I | 37.9 | Very low | 35.8 | Very low | 75 Ų | 75 | 80 Ų | 80 | 39% | 0.385 | 46% | 0.459 | S | S | . | . | G | 310 helix | trans | -74 | -19.2 | -177.9 | -72.9 | 168.1 | 0 | 0 | 0 | 112 | L126 L127 N128 | I124-L126 VanDerWaalsContact C-N 3.34Å; I124-L126 PolarHBondContact O-N 3.26Å; I124-L127 PolarHBondContact O-N 2.9Å; I124-N128 WeakPolarHBondContact CG2-ND2 3.42Å; I124-N128 WeakPolarHBondContact O-CB 3.41Å; I124-N128 PolarHBondContact O-ND2 2.87Å |
| 125 | L | 34.7 | Very low | 37.9 | Very low | 81 Ų | 81 | 79.9 Ų | 79.9 | 42% | 0.424 | 46% | 0.457 | S | S | . | . | G | 310 helix | trans | -77.7 | -10.3 | -179.2 | -77.2 | 161.9 | 0 | 0 | 0 | 115 | L123 Q710 L712 | L123-L125 VanDerWaalsContact C-N 3.28Å; L123-L125 PolarHBondContact O-N 3.09Å; L125-Q710 VanDerWaalsContact CD1-OE1 3.32Å; L125-L712 HydrophobicContact CD2-CD1 4.22Å |
| 126 | L | 34.8 | Very low | 40.6 | Very low | 150 Ų | 150 | 75.3 Ų | 75.3 | 79% | 0.785 | 43% | 0.429 | S | S | * | . | G | 310 helix | trans | -94.1 | -4.3 | 175.5 | -76.1 | 166.2 | 0 | 0 | 0 | 113.9 | I124 | I124-L126 VanDerWaalsContact C-N 3.34Å; I124-L126 PolarHBondContact O-N 3.26Å |
| 127 | L | 34.7 | Very low | 43.4 | Very low | 125 Ų | 125 | 71.6 Ų | 71.6 | 65% | 0.654 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -126.7 | 5.7 | -177.3 | -74.5 | 162.2 | 0 | 0 | 0 | 113.5 | I124 C129 L170 | I124-L127 PolarHBondContact O-N 2.9Å; L127-C129 PolarHBondContact O-N 3.2Å; L127-L170 HydrophobicContact CD2-CD2 4.39Å |
| 128 | N | 28.5 | Very low | 46.2 | Very low | 85 Ų | 85 | 68.2 Ų | 68.2 | 46% | 0.455 | 39% | 0.389 | S | S | . | . | trans | -99 | 39.3 | -171 | -91.9 | 4.2 | 0 | 0 | 0 | 114.8 | I124 | I124-N128 WeakPolarHBondContact CG2-ND2 3.42Å; I124-N128 WeakPolarHBondContact O-CB 3.41Å; I124-N128 PolarHBondContact O-ND2 2.87Å | ||
| 129 | C | 29.9 | Very low | 49 | Very low | 106 Ų | 106 | 64.4 Ų | 64.4 | 72% | 0.716 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -130.1 | 132.5 | 165.6 | -90.3 | 0 | 0 | 0 | 0 | 109.9 | L127 | L127-C129 PolarHBondContact O-N 3.2Š|
| 130 | S | 30.8 | Very low | 51.8 | Low | 62 Ų | 62 | 60.6 Ų | 60.6 | 43% | 0.434 | 34% | 0.34 | S | S | . | . | trans | 78.7 | 130 | 177.1 | -16.8 | 0 | 0 | 0 | 0 | 113.1 | L169 | S130-L169 WeakPolarHBondContact O-CD2 3.35Š| ||
| 131 | L | 38.4 | Very low | 54.5 | Low | 26 Ų | 26 | 56.8 Ų | 56.8 | 14% | 0.136 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -128.4 | 108 | 160.3 | -127.6 | 174 | 0 | 0 | 0 | 105.7 | D35 N36 R66 Q133 | D35-L131 VanDerWaalsContact CA-CD1 3.49Å; D35-L131 HydrophobicContact CB-CB 3.58Å; D35-L131 HydrophobicContact CB-CD1 3.53Å; D35-L131 HydrophobicContact CB-CG 4.23Å; N36-L131 HydrophobicContact CB-CD1 3.62Å; N36-L131 HydrophobicContact CB-CG 4.39Å; N36-L131 VanDerWaalsContact N-CD1 3.28Å; N36-L131 VanDerWaalsContact ND2-CD1 3.26Å; N36-L131 WeakPolarHBondContact ND2-CD1 3.39Å; N36-L131 WeakPolarHBondContact ND2-CG 3.48Å; N36-L131 WeakPolarHBondContact OD1-CD1 3.42Å; R66-L131 WeakPolarHBondContact CD-O 3.26Å; L131-Q133 PolarHBondContact O-N 3.14Å |
| 132 | F | 50.4 | Low | 56.9 | Low | 30 Ų | 30 | 52.7 Ų | 52.7 | 13% | 0.132 | 29% | 0.291 | C | S | . | . | S | Bend | trans | 37.3 | 61.8 | -178.3 | -58.1 | -72.1 | 0 | 0 | 0 | 115.5 | R66 G134 L169 F263 H264 | R66-F132 WeakPolarHBondContact CD-O 3.47Å; R66-F132 PolarHBondContact NH1-O 2.83Å; F132-G134 PolarHBondContact O-N 3.25Å; F132-L169 HydrophobicContact CD1-CD1 3.52Å; F132-L169 HydrophobicContact CD1-CG 4.48Å; F132-L169 HydrophobicContact CD2-CD1 4.3Å; F132-L169 HydrophobicContact CE1-CD1 3.61Å; F132-L169 HydrophobicContact CE2-CD1 4.33Å; F132-L169 HydrophobicContact CG-CD1 3.9Å; F132-L169 HydrophobicContact CZ-CD1 4.01Å; F132-L169 VanDerWaalsContact N-CD2 3.28Å; F132-F263 HydrophobicContact CE1-CD1 4.3Å; F132-F263 HydrophobicContact CE1-CE1 4.46Å; F132-F263 WeakPolarHBondContact CE1-O 3.3Å; F132-F263 HydrophobicContact CZ-CD1 4.29Å; F132-H264 VanDerWaalsContact CD1-C 3.44Å; F132-H264 WeakPolarHBondContact CD1-O 3.36Å; F132-H264 WeakPolarHBondContact CE1-O 3.12Å |
| 133 | Q | 54.4 | Low | 58.9 | Low | 101 Ų | 101 | 54.4 Ų | 54.4 | 47% | 0.472 | 29% | 0.292 | S | S | . | . | trans | -78 | -1.7 | 159.6 | -75.9 | -172.2 | -15.5 | 0 | 0 | 112.1 | L131 K135 D167 | L131-Q133 PolarHBondContact O-N 3.14Å; Q133-K135 WeakPolarHBondContact O-CG 3.26Å; Q133-K135 PolarHBondContact O-N 3.34Å; Q133-D167 CarbonylContact C-O 3.5Å; Q133-D167 VanDerWaalsContact C-O 3.24Å; Q133-D167 HydrophobicContact CB-CB 3.62Å; Q133-D167 WeakPolarHBondContact O-CB 3.26Å | ||
| 134 | G | 66.5 | Low | 61 | Low | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.01 | 29% | 0.293 | C | S | . | . | trans | -47.3 | 123.8 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | F132 C166 D167 L287 | F132-G134 PolarHBondContact O-N 3.25Å; G134-C166 VanDerWaalsContact CA-O 3.27Å; G134-C166 WeakPolarHBondContact CA-O 3.36Å; G134-D167 VanDerWaalsContact CA-O 3.28Å; G134-D167 WeakPolarHBondContact CA-O 3.46Å; G134-D167 PolarHBondContact N-O 3.33Å; G134-L287 VanDerWaalsContact O-CB 3.27Å; G134-L287 WeakPolarHBondContact O-CB 3.41Å; G134-L287 WeakPolarHBondContact O-CG 3.2Å; G134-L287 PolarHBondContact O-N 2.66Å | ||
| 135 | K | 82.1 | Confident | 62.5 | Low | 25 Ų | 25 | 54.9 Ų | 54.9 | 11% | 0.109 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 141.2 | 171.2 | -48.8 | 174 | -178.4 | 175.9 | 0 | 107.7 | Q133 V165 C166 D167 W284 Y285 Y286 K827 P830 | Q133-K135 WeakPolarHBondContact O-CG 3.26Å; Q133-K135 PolarHBondContact O-N 3.34Å; K135-V165 WeakPolarHBondContact O-CA 3.28Å; K135-C166 PolarHBondContact N-O 3.39Å; K135-C166 PolarHBondContact O-N 2.89Å; K135-D167 WeakPolarHBondContact CE-OD2 3.48Å; K135-D167 IonicContact NZ-OD2 3.15Å; K135-W284 HydrophobicContact CB-CE3 3.66Å; K135-W284 HydrophobicContact CB-CZ3 3.96Å; K135-Y285 WeakPolarHBondContact CA-O 3.41Å; K135-Y286 HydrophobicContact CD-CE1 4.28Å; K135-Y286 WeakPolarHBondContact CE-OH 3.37Å; K135-Y286 HydrophobicContact CG-CD1 4.03Å; K135-Y286 HydrophobicContact CG-CE1 3.81Å; K135-K827 PolarHBondContact NZ-O 2.82Å; K135-P830 HydrophobicContact CD-CG 3.77Å; K135-P830 HydrophobicContact CG-CG 4.15Å |
| 136 | V | 87 | Confident | 63.8 | Low | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 130.7 | 173.2 | 63.7 | 0 | 0 | 0 | 0 | 109.2 | L138 M162 V165 L249 V251 V267 W284 Y285 L287 | V136-L138 HydrophobicContact CG1-CD1 4.36Å; V136-L138 HydrophobicContact CG1-CD2 4.41Å; V136-L138 HydrophobicContact CG1-CG 4.19Å; V136-L138 HydrophobicContact CG2-CD2 3.62Å; V136-L138 HydrophobicContact CG2-CG 4.16Å; V136-M162 HydrophobicContact CG2-CG 3.83Å; V136-M162 HydrophobicContact CG2-SD 3.98Å; V136-V165 HydrophobicContact CB-CG1 4.21Å; V136-V165 HydrophobicContact CG2-CG1 3.88Å; V136-L249 HydrophobicContact CG2-CD2 4.44Å; V136-V251 HydrophobicContact CG2-CG2 4.49Å; V136-V267 HydrophobicContact CG1-CG2 3.55Å; V136-W284 CarbonylContact O-C 3.58Å; V136-Y285 PolarHBondContact N-O 3.04Å; V136-Y285 PolarHBondContact O-N 2.79Å; V136-L287 HydrophobicContact CB-CD2 4.02Å; V136-L287 HydrophobicContact CG1-CD2 3.58Å; V136-L287 HydrophobicContact CG1-CG 4.34Å |
| 137 | C | 89.2 | Confident | 64.7 | Low | 3 Ų | 3 | 57.2 Ų | 57.2 | 2% | 0.02 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 118 | 173.4 | -172.5 | 0 | 0 | 0 | 0 | 108.6 | V163 D164 W284 | C137-V163 HydrophobicContact CB-CB 4.24Å; C137-V163 PolarHBondContact O-N 3.49Å; C137-D164 HydrophobicContact CB-CB 4.06Å; C137-D164 PolarHBondContact N-O 3.35Å; C137-W284 HydrophobicContact CB-CD2 3.8Å; C137-W284 HydrophobicContact CB-CE3 3.9Å; C137-W284 HydrophobicContact CB-CG 4.41Å; C137-W284 HydrophobicContact CB-CH2 4.03Å; C137-W284 HydrophobicContact CB-CZ2 3.9Å; C137-W284 HydrophobicContact CB-CZ3 4.02Å |
| 138 | L | 88.4 | Confident | 65.2 | Low | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 138.8 | -179.7 | -55.6 | 176.2 | 0 | 0 | 0 | 109.9 | V136 I140 R161 M162 L249 V267 A283 Y285 | V136-L138 HydrophobicContact CG1-CD1 4.36Å; V136-L138 HydrophobicContact CG1-CD2 4.41Å; V136-L138 HydrophobicContact CG1-CG 4.19Å; V136-L138 HydrophobicContact CG2-CD2 3.62Å; V136-L138 HydrophobicContact CG2-CG 4.16Å; L138-I140 HydrophobicContact CB-CD1 4.39Å; L138-I140 HydrophobicContact CB-CG1 4.27Å; L138-R161 WeakPolarHBondContact CA-O 3.12Å; L138-M162 HydrophobicContact CD2-CB 4.32Å; L138-M162 HydrophobicContact CD2-CG 4.44Å; L138-L249 HydrophobicContact CD1-CD1 4Å; L138-L249 HydrophobicContact CD2-CD1 3.49Å; L138-L249 VanDerWaalsContact CD2-CD1 3.49Å; L138-L249 HydrophobicContact CD2-CD2 4.27Å; L138-L249 HydrophobicContact CG-CD1 4.42Å; L138-V267 HydrophobicContact CD1-CG1 4.49Å; L138-A283 PolarHBondContact N-O 3.22Å; L138-A283 PolarHBondContact O-N 3.12Å; L138-Y285 HydrophobicContact CB-CD2 3.92Å; L138-Y285 HydrophobicContact CB-CE2 3.78Å; L138-Y285 HydrophobicContact CD1-CD2 3.73Å; L138-Y285 HydrophobicContact CD1-CE2 4.03Å; L138-Y285 HydrophobicContact CD1-CG 4.3Å; L138-Y285 HydrophobicContact CG-CD2 3.86Å; L138-Y285 HydrophobicContact CG-CE2 4.2Å |
| 139 | E | 88.2 | Confident | 66.3 | Low | 31 Ų | 31 | 59.7 Ų | 59.7 | 15% | 0.145 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 122.6 | 164 | 178.1 | -173.2 | -109.8 | 0 | 0 | 107.8 | R161 V163 | E139-R161 HydrophobicContact CB-CB 4.33Å; E139-R161 PolarHBondContact N-O 3.42Å; E139-R161 PolarHBondContact O-N 2.7Å; E139-R161 IonicContact OE1-NH2 2.64Å; E139-R161 PolarHBondContact OE1-NH2 2.94Å; E139-R161 IonicContact OE2-CZ 3.22Å; E139-R161 IonicContact OE2-NE 2.82Å; E139-R161 PolarHBondContact OE2-NE 2.94Å; E139-R161 IonicContact OE2-NH2 2.75Å; E139-R161 PolarHBondContact OE2-NH2 3.14Å; E139-V163 HydrophobicContact CB-CG2 4Å |
| 140 | I | 86.4 | Confident | 66.9 | Low | 1 Ų | 1 | 62.9 Ų | 62.9 | 1% | 0.005 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 129.8 | -178.8 | -54.6 | 174.7 | 0 | 0 | 0 | 108.3 | L138 L158 K159 L247 L269 F277 K281 | L138-I140 HydrophobicContact CB-CD1 4.39Å; L138-I140 HydrophobicContact CB-CG1 4.27Å; I140-L158 HydrophobicContact CG2-CD1 3.71Å; I140-K159 WeakPolarHBondContact CA-O 3.02Å; I140-L247 HydrophobicContact CD1-CD2 4.21Å; I140-L269 HydrophobicContact CD1-CD1 3.25Å; I140-F277 HydrophobicContact CB-CD1 4.02Å; I140-F277 HydrophobicContact CB-CE1 4.17Å; I140-F277 HydrophobicContact CG2-CD1 3.64Å; I140-F277 HydrophobicContact CG2-CD2 4.32Å; I140-F277 HydrophobicContact CG2-CE1 3.82Å; I140-F277 HydrophobicContact CG2-CE2 4.47Å; I140-F277 HydrophobicContact CG2-CG 3.91Å; I140-F277 HydrophobicContact CG2-CZ 4.23Å; I140-K281 PolarHBondContact N-O 3.43Å; I140-K281 PolarHBondContact O-N 3.24Å |
| 141 | S | 85.1 | Confident | 67.6 | Low | 23 Ų | 23 | 70 Ų | 70 | 16% | 0.161 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 150.3 | 172.6 | 62.8 | 0 | 0 | 0 | 0 | 110.1 | K159 F277 | S141-K159 PolarHBondContact N-O 2.87Å; S141-K159 VanDerWaalsContact N-O 3.08Å; S141-K159 PolarHBondContact O-N 3.48Å; S141-K159 WeakPolarHBondContact OG-CB 3.38Å; S141-F277 WeakPolarHBondContact CA-O 3.35Å |
| 142 | C | 81.2 | Confident | 68.1 | Low | 11 Ų | 11 | 78.7 Ų | 78.7 | 7% | 0.074 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 130 | 173.6 | -166.9 | 0 | 0 | 0 | 0 | 109.2 | R157 F277 | C142-R157 WeakPolarHBondContact CA-O 3.27Å; C142-F277 HydrophobicContact CB-CB 3.94Å; C142-F277 PolarHBondContact N-O 3.48Å |
| 143 | E | 77.9 | Confident | 68.3 | Low | 97 Ų | 97 | 83.9 Ų | 83.9 | 45% | 0.453 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 142.8 | 176.7 | 65.4 | -173.2 | -179.5 | 0 | 0 | 110.2 | Y156 R157 | E143-Y156 WeakPolarHBondContact O-CA 3.4Å; E143-R157 HydrophobicContact CG-CB 3.85Å; E143-R157 HydrophobicContact CG-CG 4.37Å; E143-R157 PolarHBondContact N-O 3.16Å; E143-R157 PolarHBondContact O-N 2.89Å; E143-R157 WeakPolarHBondContact OE1-CD 3.34Å |
| 144 | R | 74.1 | Confident | 68.4 | Low | 156 Ų | 156 | 80.2 Ų | 80.2 | 59% | 0.589 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 123.9 | 174 | -172.8 | 177.5 | 178.6 | 173.1 | 0.3 | 109 | N146 Y156 | R144-N146 PolarHBondContact O-N 3.35Å; R144-Y156 HydrophobicContact CB-CD1 4.1Å; R144-Y156 HydrophobicContact CB-CE1 3.9Å; R144-Y156 HydrophobicContact CG-CD1 4.36Å; R144-Y156 HydrophobicContact CG-CE1 3.98Å |
| 145 | L | 70.8 | Confident | 68.5 | Low | 39 Ų | 39 | 83.3 Ų | 83.3 | 20% | 0.204 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 112.2 | 173.1 | -66.2 | 167.3 | 0 | 0 | 0 | 108.3 | Q147 M155 R157 | L145-Q147 PolarHBondContact O-N 3.45Å; L145-M155 HydrophobicContact CB-CB 4.28Å; L145-M155 HydrophobicContact CD1-CB 4.32Å; L145-M155 HydrophobicContact CD1-CG 4.27Å; L145-M155 HydrophobicContact CD1-SD 4.16Å; L145-M155 PolarHBondContact N-O 3.17Å; L145-R157 HydrophobicContact CD1-CB 4.01Å; L145-R157 HydrophobicContact CD2-CB 4.49Å; L145-R157 HydrophobicContact CG-CB 4.14Å |
| 146 | N | 60.2 | Low | 68.3 | Low | 139 Ų | 139 | 84 Ų | 84 | 74% | 0.743 | 41% | 0.41 | S | S | * | . | trans | -82 | 110.1 | 169.4 | -67 | -19.2 | 0 | 0 | 0 | 107.9 | R144 | R144-N146 PolarHBondContact O-N 3.35Š| ||
| 147 | Q | 54.7 | Low | 68.1 | Low | 141 Ų | 141 | 87.7 Ų | 87.7 | 66% | 0.659 | 42% | 0.423 | S | S | * | . | trans | -84.1 | 123.4 | 166.7 | -71.4 | -169.4 | 13.2 | 0 | 0 | 109.1 | L145 G149 | L145-Q147 PolarHBondContact O-N 3.45Å; Q147-G149 PolarHBondContact O-N 3.46Å; Q147-G149 VanDerWaalsContact O-N 3.13Å | ||
| 148 | E | 45.1 | Very low | 68 | Low | 206 Ų | 206 | 87.6 Ų | 87.6 | 96% | 0.963 | 42% | 0.423 | S | S | * | . | trans | -72.6 | 92.8 | 163.7 | -72.8 | 177.9 | 160.6 | 0 | 0 | 107.9 | ||||
| 149 | G | 51.1 | Low | 68 | Low | 55 Ų | 55 | 90.5 Ų | 90.5 | 57% | 0.567 | 44% | 0.436 | S | S | * | . | S | Bend | trans | 176.5 | 141.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112 | Q147 R151 | Q147-G149 PolarHBondContact O-N 3.46Å; Q147-G149 VanDerWaalsContact O-N 3.13Å; G149-R151 PolarHBondContact O-N 3.26Å |
| 150 | D | 42.5 | Very low | 68.1 | Low | 173 Ų | 173 | 89 Ų | 89 | 93% | 0.925 | 43% | 0.429 | S | S | * | . | S | Bend | trans | -70.4 | 40.5 | -162.8 | -156.4 | 18.9 | 0 | 0 | 0 | 116.2 | ||
| 151 | R | 46.8 | Very low | 68.2 | Low | 213 Ų | 213 | 91.8 Ų | 91.8 | 80% | 0.804 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -141.6 | 118.8 | 171.2 | -68.9 | -171 | 176.4 | -178.7 | -1 | 110.4 | G149 E153 | G149-R151 PolarHBondContact O-N 3.26Å; R151-E153 VanDerWaalsContact C-N 3.26Å; R151-E153 PolarHBondContact O-N 3.48Å |
| 152 | H | 48.7 | Very low | 68.3 | Low | 207 Ų | 207 | 90.7 Ų | 90.7 | 96% | 0.958 | 43% | 0.431 | S | S | * | . | trans | -63.2 | 69.6 | -179.8 | -82.2 | -82.1 | 0 | 0 | 0 | 113.8 | ||||
| 153 | E | 54 | Low | 68.5 | Low | 140 Ų | 140 | 90.8 Ų | 90.8 | 65% | 0.654 | 43% | 0.432 | S | S | * | . | trans | -118.8 | 102.4 | 173.1 | -70.1 | -177.4 | -171.9 | 0 | 0 | 110 | R151 M155 | R151-E153 VanDerWaalsContact C-N 3.26Å; R151-E153 PolarHBondContact O-N 3.48Å; E153-M155 PolarHBondContact O-N 3.42Å | ||
| 154 | A | 57.3 | Low | 68.9 | Low | 24 Ų | 24 | 88.6 Ų | 88.6 | 20% | 0.198 | 42% | 0.423 | C | S | . | . | trans | -77.3 | 108.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | Y156 | A154-Y156 HydrophobicContact CB-CE2 4.41Š| ||
| 155 | M | 68.3 | Low | 69.3 | Low | 66 Ų | 66 | 82.5 Ų | 82.5 | 33% | 0.325 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 143.4 | 174.3 | -157.9 | -178.9 | -158.8 | 0 | 0 | 109.8 | L145 E153 D216 | L145-M155 HydrophobicContact CB-CB 4.28Å; L145-M155 HydrophobicContact CD1-CB 4.32Å; L145-M155 HydrophobicContact CD1-CG 4.27Å; L145-M155 HydrophobicContact CD1-SD 4.16Å; L145-M155 PolarHBondContact N-O 3.17Å; E153-M155 PolarHBondContact O-N 3.42Å; M155-D216 HydrophobicContact CE-CB 3.73Å |
| 156 | Y | 76.5 | Confident | 69.7 | Low | 40 Ų | 40 | 81.6 Ų | 81.6 | 16% | 0.157 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 138.8 | 178.9 | -69.3 | -82 | 0 | 0 | 0 | 110.4 | E143 R144 A154 L217 P274 | E143-Y156 WeakPolarHBondContact O-CA 3.4Å; R144-Y156 HydrophobicContact CB-CD1 4.1Å; R144-Y156 HydrophobicContact CB-CE1 3.9Å; R144-Y156 HydrophobicContact CG-CD1 4.36Å; R144-Y156 HydrophobicContact CG-CE1 3.98Å; A154-Y156 HydrophobicContact CB-CE2 4.41Å; Y156-L217 PolarHBondContact O-N 3.27Å; Y156-P274 HydrophobicContact CD1-CB 3.4Å; Y156-P274 VanDerWaalsContact CD1-CB 3.4Å; Y156-P274 HydrophobicContact CD1-CG 4.21Å; Y156-P274 HydrophobicContact CD2-CB 3.87Å; Y156-P274 HydrophobicContact CD2-CG 3.73Å; Y156-P274 HydrophobicContact CE1-CB 3.15Å; Y156-P274 HydrophobicContact CE1-CG 3.87Å; Y156-P274 HydrophobicContact CE2-CB 3.67Å; Y156-P274 HydrophobicContact CE2-CG 3.38Å; Y156-P274 HydrophobicContact CG-CB 3.73Å; Y156-P274 HydrophobicContact CG-CG 4.12Å; Y156-P274 VanDerWaalsContact CZ-CG 3.43Å |
| 157 | R | 84.2 | Confident | 70.2 | Confident | 76 Ų | 76 | 78.3 Ų | 78.3 | 29% | 0.287 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 119.7 | 175.4 | 176.8 | 167.4 | -71.6 | 162.6 | 1.5 | 109.8 | C142 E143 L145 Y214 D216 | C142-R157 WeakPolarHBondContact CA-O 3.27Å; E143-R157 HydrophobicContact CG-CB 3.85Å; E143-R157 HydrophobicContact CG-CG 4.37Å; E143-R157 PolarHBondContact N-O 3.16Å; E143-R157 PolarHBondContact O-N 2.89Å; E143-R157 WeakPolarHBondContact OE1-CD 3.34Å; L145-R157 HydrophobicContact CD1-CB 4.01Å; L145-R157 HydrophobicContact CD2-CB 4.49Å; L145-R157 HydrophobicContact CG-CB 4.14Å; R157-Y214 HydrophobicContact CG-CD1 4.12Å; R157-D216 IonicContact CZ-OD1 3.64Å; R157-D216 IonicContact NE-OD1 2.81Å; R157-D216 PolarHBondContact NE-OD1 2.83Å; R157-D216 IonicContact NH2-OD1 3.96Å; R157-D216 PolarHBondContact NH2-OD1 2.85Å; R157-D216 IonicContact NH2-OD2 2.83Å; R157-D216 PolarHBondContact NH2-OD2 3.02Å; R157-D216 VanDerWaalsContact NH2-OD2 3.08Å |
| 158 | L | 86.8 | Confident | 70.9 | Confident | 1 Ų | 1 | 72.9 Ų | 72.9 | 1% | 0.005 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 121.6 | 174.9 | -178.5 | 73 | 0 | 0 | 0 | 109.3 | I140 V160 V184 Y214 F215 L217 L247 L271 | I140-L158 HydrophobicContact CG2-CD1 3.71Å; L158-V160 HydrophobicContact CD2-CG2 3.95Å; L158-V160 HydrophobicContact CG-CG2 3.93Å; L158-V184 HydrophobicContact CD2-CG2 4.37Å; L158-Y214 CarbonylContact O-C 3.5Å; L158-Y214 WeakPolarHBondContact O-CA 3.32Å; L158-F215 HydrophobicContact CB-CB 4.29Å; L158-F215 HydrophobicContact CD2-CD2 4.31Å; L158-F215 PolarHBondContact N-O 2.91Å; L158-F215 PolarHBondContact O-N 2.9Å; L158-L217 HydrophobicContact CB-CD1 4.1Å; L158-L217 HydrophobicContact CB-CD2 4.37Å; L158-L217 HydrophobicContact CB-CG 4.17Å; L158-L247 HydrophobicContact CD2-CD2 4.41Å; L158-L271 HydrophobicContact CD1-CD2 4.3Å; L158-L271 HydrophobicContact CD2-CD1 4.03Å; L158-L271 HydrophobicContact CD2-CD2 4.04Å |
| 159 | K | 88.6 | Confident | 71.6 | Confident | 62 Ų | 62 | 64.2 Ų | 64.2 | 27% | 0.27 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 127.7 | 172.4 | -179.4 | -174.4 | 179.7 | -174.7 | 0 | 109.5 | I140 S141 A212 A213 Y214 | I140-K159 WeakPolarHBondContact CA-O 3.02Å; S141-K159 PolarHBondContact N-O 2.87Å; S141-K159 VanDerWaalsContact N-O 3.08Å; S141-K159 PolarHBondContact O-N 3.48Å; S141-K159 WeakPolarHBondContact OG-CB 3.38Å; K159-A212 HydrophobicContact CG-CB 4.2Å; K159-A213 CarbonylContact C-O 3.53Å; K159-A213 WeakPolarHBondContact CA-O 3.16Å; K159-Y214 HydrophobicContact CB-CD1 4.05Å; K159-Y214 HydrophobicContact CB-CE1 3.98Å; K159-Y214 HydrophobicContact CD-CE1 3.8Å; K159-Y214 HydrophobicContact CG-CD1 4.13Å; K159-Y214 HydrophobicContact CG-CE1 3.66Å |
| 160 | V | 89 | Confident | 72.1 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 126.3 | 178.9 | -174.3 | 0 | 0 | 0 | 0 | 109.7 | L158 L198 A213 F215 L247 L249 | L158-V160 HydrophobicContact CD2-CG2 3.95Å; L158-V160 HydrophobicContact CG-CG2 3.93Å; V160-L198 HydrophobicContact CG1-CD1 3.97Å; V160-A213 PolarHBondContact N-O 3.42Å; V160-A213 PolarHBondContact O-N 2.96Å; V160-F215 HydrophobicContact CB-CE2 4.26Å; V160-F215 HydrophobicContact CG2-CD2 4.08Å; V160-F215 HydrophobicContact CG2-CE2 3.92Å; V160-L247 HydrophobicContact CG1-CD2 4.06Å; V160-L247 HydrophobicContact CG2-CD1 4.19Å; V160-L247 HydrophobicContact CG2-CD2 3.61Å; V160-L249 HydrophobicContact CG1-CD1 4.22Å |
| 161 | R | 88.5 | Confident | 72.9 | Confident | 58 Ų | 58 | 60.8 Ų | 60.8 | 22% | 0.219 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 133.4 | 176.1 | -176.3 | 170.7 | 67.3 | 108.4 | -1.8 | 111.3 | L138 E139 A212 | L138-R161 WeakPolarHBondContact CA-O 3.12Å; E139-R161 HydrophobicContact CB-CB 4.33Å; E139-R161 PolarHBondContact N-O 3.42Å; E139-R161 PolarHBondContact O-N 2.7Å; E139-R161 IonicContact OE1-NH2 2.64Å; E139-R161 PolarHBondContact OE1-NH2 2.94Å; E139-R161 IonicContact OE2-CZ 3.22Å; E139-R161 IonicContact OE2-NE 2.82Å; E139-R161 PolarHBondContact OE2-NE 2.94Å; E139-R161 IonicContact OE2-NH2 2.75Å; E139-R161 PolarHBondContact OE2-NH2 3.14Å; R161-A212 HydrophobicContact CB-CB 4.25Å |
| 162 | M | 88.7 | Confident | 73.4 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 112.1 | 170.9 | -174.8 | 171.4 | 67.2 | 0 | 0 | 109.4 | V136 L138 V165 A180 L198 H199 A200 | V136-M162 HydrophobicContact CG2-CG 3.83Å; V136-M162 HydrophobicContact CG2-SD 3.98Å; L138-M162 HydrophobicContact CD2-CB 4.32Å; L138-M162 HydrophobicContact CD2-CG 4.44Å; M162-V165 HydrophobicContact CG-CG1 4.48Å; M162-V165 HydrophobicContact SD-CG1 3.88Å; M162-A180 HydrophobicContact CE-CB 4.16Å; M162-A180 HydrophobicContact SD-CB 3.64Å; M162-L198 HydrophobicContact CB-CB 4.23Å; M162-H199 VanDerWaalsContact CE-C 3.43Å; M162-A200 HydrophobicContact CE-CB 4Å; M162-A200 VanDerWaalsContact CE-N 3.28Å |
| 163 | V | 85.5 | Confident | 73.8 | Confident | 14 Ų | 14 | 47.6 Ų | 47.6 | 9% | 0.085 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | -47.4 | -175.3 | -177.7 | 0 | 0 | 0 | 0 | 111 | C137 E139 L282 | C137-V163 HydrophobicContact CB-CB 4.24Å; C137-V163 PolarHBondContact O-N 3.49Å; E139-V163 HydrophobicContact CB-CG2 4Å; V163-L282 HydrophobicContact CG1-CD1 4.34Å; V163-L282 HydrophobicContact CG2-CD1 4.02Å |
| 164 | D | 85.5 | Confident | 74.1 | Confident | 51 Ų | 51 | 49.3 Ų | 49.3 | 27% | 0.273 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 161.6 | -176.8 | -158.5 | 17.3 | 0 | 0 | 0 | 111.9 | C137 W284 | C137-D164 HydrophobicContact CB-CB 4.06Å; C137-D164 PolarHBondContact N-O 3.35Å; D164-W284 HydrophobicContact CB-CH2 4.01Å; D164-W284 HydrophobicContact CB-CZ2 4.48Å |
| 165 | V | 83.4 | Confident | 74 | Confident | 27 Ų | 27 | 53.1 Ų | 53.1 | 16% | 0.164 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 136.2 | 174.4 | -73.2 | 0 | 0 | 0 | 0 | 109.6 | K135 V136 M162 L168 V178 | K135-V165 WeakPolarHBondContact O-CA 3.28Å; V136-V165 HydrophobicContact CB-CG1 4.21Å; V136-V165 HydrophobicContact CG2-CG1 3.88Å; M162-V165 HydrophobicContact CG-CG1 4.48Å; M162-V165 HydrophobicContact SD-CG1 3.88Å; V165-L168 HydrophobicContact CB-CD1 4.13Å; V165-L168 HydrophobicContact CB-CD2 4.42Å; V165-L168 HydrophobicContact CB-CG 4.44Å; V165-L168 HydrophobicContact CG2-CD1 3.93Å; V165-V178 HydrophobicContact CG2-CG1 4.26Å |
| 166 | C | 78.8 | Confident | 73.6 | Confident | 21 Ų | 21 | 54.9 Ų | 54.9 | 14% | 0.142 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 169.3 | 174.2 | 69.2 | 0 | 0 | 0 | 0 | 111.4 | G134 K135 L168 W284 | G134-C166 VanDerWaalsContact CA-O 3.27Å; G134-C166 WeakPolarHBondContact CA-O 3.36Å; K135-C166 PolarHBondContact N-O 3.39Å; K135-C166 PolarHBondContact O-N 2.89Å; C166-L168 PolarHBondContact O-N 3.07Å; C166-W284 VanDerWaalsContact SG-CZ3 3.57Å |
| 167 | D | 69.3 | Low | 73.3 | Confident | 69 Ų | 69 | 54.3 Ų | 54.3 | 37% | 0.369 | 29% | 0.285 | S | S | . | . | S | Bend | trans | 59.3 | 30.6 | 175.3 | -47.2 | -33 | 0 | 0 | 0 | 113.9 | Q133 G134 K135 | Q133-D167 CarbonylContact C-O 3.5Å; Q133-D167 VanDerWaalsContact C-O 3.24Å; Q133-D167 HydrophobicContact CB-CB 3.62Å; Q133-D167 WeakPolarHBondContact O-CB 3.26Å; G134-D167 VanDerWaalsContact CA-O 3.28Å; G134-D167 WeakPolarHBondContact CA-O 3.46Å; G134-D167 PolarHBondContact N-O 3.33Å; K135-D167 WeakPolarHBondContact CE-OD2 3.48Å; K135-D167 IonicContact NZ-OD2 3.15Å |
| 168 | L | 69.6 | Low | 73.2 | Confident | 27 Ų | 27 | 50.9 Ų | 50.9 | 14% | 0.141 | 27% | 0.273 | C | S | . | . | trans | -73 | 156.7 | 178.9 | -59.4 | -177.9 | 0 | 0 | 0 | 112.4 | V165 C166 L170 V178 H264 L287 | V165-L168 HydrophobicContact CB-CD1 4.13Å; V165-L168 HydrophobicContact CB-CD2 4.42Å; V165-L168 HydrophobicContact CB-CG 4.44Å; V165-L168 HydrophobicContact CG2-CD1 3.93Å; C166-L168 PolarHBondContact O-N 3.07Å; L168-L170 VanDerWaalsContact C-N 3.34Å; L168-L170 PolarHBondContact O-N 3.04Å; L168-V178 HydrophobicContact CD1-CG1 3.92Å; L168-V178 HydrophobicContact CD1-CG2 3.92Å; L168-H264 HydrophobicContact CD2-CB 4Å; L168-L287 HydrophobicContact CD2-CD1 4.02Å | ||
| 169 | L | 59.5 | Low | 73.2 | Confident | 25 Ų | 25 | 51.7 Ų | 51.7 | 13% | 0.131 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -70.2 | -29.2 | -175 | -74.3 | 169.7 | 0 | 0 | 0 | 114.8 | S130 F132 F262 H264 | S130-L169 WeakPolarHBondContact O-CD2 3.35Å; F132-L169 HydrophobicContact CD1-CD1 3.52Å; F132-L169 HydrophobicContact CD1-CG 4.48Å; F132-L169 HydrophobicContact CD2-CD1 4.3Å; F132-L169 HydrophobicContact CE1-CD1 3.61Å; F132-L169 HydrophobicContact CE2-CD1 4.33Å; F132-L169 HydrophobicContact CG-CD1 3.9Å; F132-L169 HydrophobicContact CZ-CD1 4.01Å; F132-L169 VanDerWaalsContact N-CD2 3.28Å; L169-F262 HydrophobicContact CB-CE1 3.6Å; L169-F262 HydrophobicContact CB-CZ 3.91Å; L169-F262 HydrophobicContact CD1-CE1 3.61Å; L169-F262 HydrophobicContact CD1-CZ 3.74Å; L169-F262 HydrophobicContact CG-CE1 4.18Å; L169-F262 HydrophobicContact CG-CZ 4.4Å; L169-H264 PolarHBondContact N-CE1 3.31Å; L169-H264 PolarHBondContact N-ND1 2.97Å |
| 170 | L | 62.6 | Low | 73.2 | Confident | 32 Ų | 32 | 48.7 Ų | 48.7 | 17% | 0.168 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -119 | 124.9 | 179.1 | -70 | 172.6 | 0 | 0 | 0 | 106.3 | L127 L168 A172 H253 L255 F262 H264 | L127-L170 HydrophobicContact CD2-CD2 4.39Å; L168-L170 VanDerWaalsContact C-N 3.34Å; L168-L170 PolarHBondContact O-N 3.04Å; L170-A172 PolarHBondContact O-N 3.07Å; L170-A172 VanDerWaalsContact O-N 3.12Å; L170-H253 WeakPolarHBondContact CB-ND1 3.44Å; L170-L255 HydrophobicContact CD1-CD2 3.76Å; L170-F262 HydrophobicContact CD1-CB 3.66Å; L170-F262 HydrophobicContact CD1-CD1 3.74Å; L170-F262 HydrophobicContact CD1-CD2 3.84Å; L170-F262 HydrophobicContact CD1-CE1 4.37Å; L170-F262 HydrophobicContact CD1-CE2 4.43Å; L170-F262 HydrophobicContact CD1-CG 3.44Å; L170-F262 VanDerWaalsContact CD1-CG 3.44Å; L170-F262 HydrophobicContact CG-CD1 4.26Å; L170-F262 HydrophobicContact CG-CE1 4.45Å; L170-F262 HydrophobicContact CG-CG 4.34Å; L170-H264 PolarHBondContact N-CE1 3.45Å |
| 171 | P | 58.5 | Low | 73.3 | Confident | 124 Ų | 124 | 50.6 Ų | 50.6 | 81% | 0.805 | 27% | 0.273 | S | S | * | . | trans | -64.3 | 116.3 | 172.9 | 25.6 | -30.6 | 0 | 0 | 0 | 108.1 | S173 | P171-S173 PolarHBondContact O-N 3.4Š| ||
| 172 | A | 59.1 | Low | 73.4 | Confident | 44 Ų | 44 | 47.9 Ų | 47.9 | 36% | 0.364 | 26% | 0.262 | S | S | . | . | trans | -71.7 | 120.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | L170 R174 V178 | L170-A172 PolarHBondContact O-N 3.07Å; L170-A172 VanDerWaalsContact O-N 3.12Å; A172-R174 VanDerWaalsContact C-N 3.27Å; A172-V178 HydrophobicContact CB-CG2 3.72Å | ||
| 173 | S | 56.8 | Low | 73.4 | Confident | 98 Ų | 98 | 49.3 Ų | 49.3 | 69% | 0.685 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -73.5 | -28.9 | 177.7 | 85.5 | 0 | 0 | 0 | 0 | 110.9 | P171 E177 | P171-S173 PolarHBondContact O-N 3.4Å; S173-E177 PolarHBondContact N-OE2 3.3Å; S173-E177 PolarHBondContact OG-OE1 3.26Å |
| 174 | R | 59.4 | Low | 73.5 | Confident | 176 Ų | 176 | 48.6 Ų | 48.6 | 66% | 0.664 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -133.6 | 138.6 | 173.1 | -61.1 | 177.7 | -179.2 | -170.9 | -1 | 109.2 | A172 T176 E177 | A172-R174 VanDerWaalsContact C-N 3.27Å; R174-T176 PolarHBondContact O-N 3.1Å; R174-T176 VanDerWaalsContact O-N 3.1Å; R174-E177 HydrophobicContact CB-CG 4.15Å; R174-E177 WeakPolarHBondContact O-CB 3.47Å; R174-E177 WeakPolarHBondContact O-CG 3.44Å; R174-E177 PolarHBondContact O-N 3.25Å |
| 175 | K | 55 | Low | 73.4 | Confident | 105 Ų | 105 | 46.8 Ų | 46.8 | 46% | 0.457 | 26% | 0.255 | S | S | . | . | G | 310 helix | trans | -59 | -23.6 | 177.1 | -71.7 | -166.7 | 172.4 | -150.8 | 0 | 113.6 | E177 V178 | K175-E177 PolarHBondContact O-N 3.48Å; K175-V178 PolarHBondContact O-N 2.73Å |
| 176 | T | 60 | Low | 73.1 | Confident | 103 Ų | 103 | 46.6 Ų | 46.6 | 63% | 0.632 | 25% | 0.251 | S | S | * | . | G | 310 helix | trans | -69.4 | -13.4 | 177.2 | 54.1 | 0 | 0 | 0 | 0 | 113.8 | R174 V178 | R174-T176 PolarHBondContact O-N 3.1Å; R174-T176 VanDerWaalsContact O-N 3.1Å; T176-V178 VanDerWaalsContact C-N 3.34Å |
| 177 | E | 70.5 | Confident | 72.7 | Confident | 27 Ų | 27 | 51.6 Ų | 51.6 | 13% | 0.126 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -79.7 | -18 | -179.7 | -62.5 | 170.6 | 179 | 0 | 0 | 112.6 | S173 R174 K175 H253 D254 | S173-E177 PolarHBondContact N-OE2 3.3Å; S173-E177 PolarHBondContact OG-OE1 3.26Å; R174-E177 HydrophobicContact CB-CG 4.15Å; R174-E177 WeakPolarHBondContact O-CB 3.47Å; R174-E177 WeakPolarHBondContact O-CG 3.44Å; R174-E177 PolarHBondContact O-N 3.25Å; K175-E177 PolarHBondContact O-N 3.48Å; E177-H253 WeakPolarHBondContact CB-NE2 3.24Å; E177-H253 CarbonylContact O-C 3.41Å; E177-H253 VanDerWaalsContact O-CA 3.26Å; E177-H253 WeakPolarHBondContact O-CA 3.46Å; E177-H253 PolarHBondContact O-CD2 3.23Å; E177-H253 IonicContact OE2-CE1 3.66Å; E177-H253 IonicContact OE2-NE2 2.76Å; E177-H253 PolarHBondContact OE2-NE2 3.08Å; E177-H253 VanDerWaalsContact OE2-NE2 3.14Å; E177-D254 PolarHBondContact O-N 2.97Å |
| 178 | V | 81.7 | Confident | 72.7 | Confident | 4 Ų | 4 | 51.6 Ų | 51.6 | 2% | 0.024 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 132.2 | -179.1 | -176.5 | 0 | 0 | 0 | 0 | 110.1 | V165 L168 A172 K175 T176 V251 W252 H253 | V165-V178 HydrophobicContact CG2-CG1 4.26Å; L168-V178 HydrophobicContact CD1-CG1 3.92Å; L168-V178 HydrophobicContact CD1-CG2 3.92Å; A172-V178 HydrophobicContact CB-CG2 3.72Å; K175-V178 PolarHBondContact O-N 2.73Å; T176-V178 VanDerWaalsContact C-N 3.34Å; V178-V251 HydrophobicContact CG1-CG1 3.76Å; V178-W252 WeakPolarHBondContact CA-O 3.35Å; V178-W252 WeakPolarHBondContact CG1-O 2.99Å; V178-H253 HydrophobicContact CG2-CB 4.47Å |
| 179 | Y | 87.4 | Confident | 72.5 | Confident | 18 Ų | 18 | 53.9 Ų | 53.9 | 7% | 0.071 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 163.3 | 177.3 | 62.9 | -84.5 | 0 | 0 | 0 | 110.6 | L181 K197 L198 V251 W252 D254 | Y179-L181 HydrophobicContact CD2-CD2 4.19Å; Y179-L181 HydrophobicContact CD2-CG 4.18Å; Y179-L181 HydrophobicContact CE2-CD1 4.29Å; Y179-L181 HydrophobicContact CE2-CD2 4.13Å; Y179-L181 HydrophobicContact CE2-CG 3.97Å; Y179-K197 HydrophobicContact CD2-CD 4.21Å; Y179-K197 VanDerWaalsContact CD2-CE 3.42Å; Y179-K197 HydrophobicContact CD2-CG 4.12Å; Y179-L198 CarbonylContact C-O 3.57Å; Y179-L198 WeakPolarHBondContact CA-O 3.38Å; Y179-L198 WeakPolarHBondContact CB-O 3.43Å; Y179-V251 WeakPolarHBondContact O-CA 3.26Å; Y179-W252 HydrophobicContact CD1-CB 4.27Å; Y179-W252 HydrophobicContact CD2-CB 4.13Å; Y179-W252 HydrophobicContact CE1-CB 3.74Å; Y179-W252 HydrophobicContact CE2-CB 3.61Å; Y179-W252 AromaticContact CE2-CG 3.96Å; Y179-W252 HydrophobicContact CE2-CG 3.96Å; Y179-W252 HydrophobicContact CG-CB 4.45Å; Y179-W252 VanDerWaalsContact CZ-CB 3.4Å; Y179-W252 PolarHBondContact N-O 3.01Å; Y179-W252 PolarHBondContact O-N 2.96Å; Y179-D254 VanDerWaalsContact CE1-OD1 3.22Å; Y179-D254 WeakPolarHBondContact CE1-OD1 3.48Å |
| 180 | A | 89.4 | Confident | 72.9 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 144.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | M162 K197 L198 L249 S250 V251 | M162-A180 HydrophobicContact CE-CB 4.16Å; M162-A180 HydrophobicContact SD-CB 3.64Å; A180-K197 CarbonylContact O-C 3.59Å; A180-K197 WeakPolarHBondContact O-CA 3.28Å; A180-L198 HydrophobicContact CB-CB 4.28Å; A180-L198 PolarHBondContact N-O 3.48Å; A180-L198 PolarHBondContact O-N 2.79Å; A180-L249 HydrophobicContact CB-CD1 4.33Å; A180-L249 HydrophobicContact CB-CD2 3.66Å; A180-L249 HydrophobicContact CB-CG 3.9Å; A180-S250 CarbonylContact C-O 3.55Å; A180-S250 WeakPolarHBondContact CA-O 3.37Å; A180-V251 HydrophobicContact CB-CG2 4.26Å |
| 181 | L | 90 | Very high | 73.5 | Confident | 40 Ų | 40 | 57.2 Ų | 57.2 | 21% | 0.209 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 116.9 | 168.5 | -60.1 | 174.7 | 0 | 0 | 0 | 108.1 | Y179 K197 L249 S250 | Y179-L181 HydrophobicContact CD2-CD2 4.19Å; Y179-L181 HydrophobicContact CD2-CG 4.18Å; Y179-L181 HydrophobicContact CE2-CD1 4.29Å; Y179-L181 HydrophobicContact CE2-CD2 4.13Å; Y179-L181 HydrophobicContact CE2-CG 3.97Å; L181-K197 HydrophobicContact CD2-CB 3.98Å; L181-K197 HydrophobicContact CD2-CD 4.44Å; L181-K197 HydrophobicContact CD2-CG 3.97Å; L181-L249 CarbonylContact O-C 3.55Å; L181-L249 WeakPolarHBondContact O-CA 3.44Å; L181-S250 PolarHBondContact N-O 3.43Å; L181-S250 PolarHBondContact O-N 3.19Å; L181-S250 PolarHBondContact O-OG 3.26Å |
| 182 | A | 90.8 | Very high | 74.4 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 120 | 178.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | T195 E196 L198 F215 L247 R248 L249 | A182-T195 CarbonylContact O-C 3.59Å; A182-T195 VanDerWaalsContact O-CA 3.29Å; A182-T195 WeakPolarHBondContact O-CA 3.28Å; A182-E196 PolarHBondContact N-O 2.93Å; A182-E196 PolarHBondContact O-N 2.79Å; A182-L198 HydrophobicContact CB-CD1 3.88Å; A182-F215 HydrophobicContact CB-CE2 4.17Å; A182-F215 HydrophobicContact CB-CZ 3.78Å; A182-F215 WeakPolarHBondContact O-CZ 3.43Å; A182-L247 HydrophobicContact CB-CD1 4.26Å; A182-R248 CarbonylContact C-O 3.57Å; A182-R248 WeakPolarHBondContact CA-O 3.41Å; A182-L249 HydrophobicContact CB-CD1 4.44Å |
| 183 | H | 88.9 | Confident | 75.4 | Confident | 30 Ų | 30 | 54.9 Ų | 54.9 | 14% | 0.139 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 130.9 | 179.7 | -50.5 | -87.2 | 0 | 0 | 0 | 109.6 | Q185 A194 T195 L247 R248 | H183-Q185 HydrophobicContact CB-CG 3.79Å; H183-A194 WeakPolarHBondContact CA-O 3.18Å; H183-T195 WeakPolarHBondContact CE1-CG2 3.33Å; H183-T195 VanDerWaalsContact ND1-CG2 3.27Å; H183-T195 WeakPolarHBondContact ND1-CG2 3.49Å; H183-T195 PolarHBondContact ND1-OG1 3.38Å; H183-L247 CarbonylContact O-C 3.59Å; H183-L247 WeakPolarHBondContact O-CA 3.46Å; H183-R248 HydrophobicContact CB-CB 4.34Å; H183-R248 PolarHBondContact N-O 3.09Å; H183-R248 PolarHBondContact O-N 2.9Å |
| 184 | V | 86.6 | Confident | 76.6 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 120.8 | 166.1 | 179.7 | 0 | 0 | 0 | 0 | 107.8 | L158 I193 A194 F215 L217 L245 L247 L271 | L158-V184 HydrophobicContact CD2-CG2 4.37Å; V184-I193 HydrophobicContact CB-CB 4.5Å; V184-I193 HydrophobicContact CG1-CB 4.47Å; V184-I193 HydrophobicContact CG1-CD1 3.86Å; V184-I193 PolarHBondContact O-N 3.12Å; V184-A194 PolarHBondContact N-O 3.14Å; V184-A194 VanDerWaalsContact N-O 3.09Å; V184-F215 HydrophobicContact CB-CD1 4.45Å; V184-F215 HydrophobicContact CG2-CB 3.8Å; V184-F215 HydrophobicContact CG2-CD1 3.67Å; V184-F215 HydrophobicContact CG2-CD2 3.89Å; V184-F215 HydrophobicContact CG2-CE1 4.13Å; V184-F215 HydrophobicContact CG2-CE2 4.33Å; V184-F215 HydrophobicContact CG2-CG 3.51Å; V184-F215 HydrophobicContact CG2-CZ 4.42Å; V184-L217 HydrophobicContact CG1-CD2 3.85Å; V184-L245 HydrophobicContact CG1-CD2 4.33Å; V184-L247 HydrophobicContact CG2-CD1 4.09Å; V184-L271 HydrophobicContact CG1-CD1 4.23Å |
| 185 | Q | 84.8 | Confident | 77.9 | Confident | 13 Ų | 13 | 46.7 Ų | 46.7 | 6% | 0.061 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 152.3 | -170.3 | -50.7 | -171.6 | -40.5 | 0 | 0 | 111.3 | H183 L191 C192 F246 | H183-Q185 HydrophobicContact CB-CG 3.79Å; Q185-L191 WeakPolarHBondContact CA-O 3.42Å; Q185-C192 HydrophobicContact CG-CB 4.07Å; Q185-F246 HydrophobicContact CB-CD1 4.26Å; Q185-F246 HydrophobicContact CB-CE1 3.57Å; Q185-F246 HydrophobicContact CB-CE2 4.37Å; Q185-F246 HydrophobicContact CB-CZ 3.64Å; Q185-F246 HydrophobicContact CG-CZ 4.35Å; Q185-F246 PolarHBondContact N-O 2.99Å; Q185-F246 WeakPolarHBondContact O-CD1 3.28Å; Q185-F246 PolarHBondContact O-N 3.25Å |
| 186 | W | 77.1 | Confident | 79.5 | Confident | 22 Ų | 22 | 46 Ų | 46 | 8% | 0.083 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 127.6 | 169.8 | -72.3 | 99.2 | 0 | 0 | 0 | 110.3 | A188 T189 G190 L191 P218 K242 G243 L245 | W186-A188 PolarHBondContact O-N 3.31Å; W186-T189 VanDerWaalsContact CB-OG1 3.27Å; W186-T189 WeakPolarHBondContact CB-OG1 3.46Å; W186-G190 VanDerWaalsContact O-CA 3.3Å; W186-G190 WeakPolarHBondContact O-CA 3.22Å; W186-G190 PolarHBondContact O-N 3.16Å; W186-L191 PolarHBondContact N-O 2.98Å; W186-P218 HydrophobicContact CH2-CG 4.39Å; W186-P218 HydrophobicContact CZ2-CB 4.45Å; W186-P218 HydrophobicContact CZ2-CG 3.66Å; W186-K242 HydrophobicContact CD2-CB 3.98Å; W186-K242 HydrophobicContact CE3-CB 3.78Å; W186-K242 HydrophobicContact CZ3-CB 4.07Å; W186-G243 WeakPolarHBondContact CZ3-O 3.32Å; W186-L245 HydrophobicContact CD2-CD2 3.64Å; W186-L245 HydrophobicContact CD2-CG 4.21Å; W186-L245 HydrophobicContact CE3-CD2 3.86Å; W186-L245 HydrophobicContact CE3-CG 3.92Å; W186-L245 HydrophobicContact CG-CD2 4.12Å; W186-L245 HydrophobicContact CH2-CD1 4.14Å; W186-L245 HydrophobicContact CH2-CD2 4.19Å; W186-L245 HydrophobicContact CH2-CG 3.96Å; W186-L245 HydrophobicContact CZ2-CD1 4.39Å; W186-L245 HydrophobicContact CZ2-CD2 3.97Å; W186-L245 HydrophobicContact CZ2-CG 4.23Å; W186-L245 HydrophobicContact CZ3-CD1 4.41Å; W186-L245 HydrophobicContact CZ3-CD2 4.14Å; W186-L245 HydrophobicContact CZ3-CG 3.8Å |
| 187 | E | 71.1 | Confident | 80.8 | Confident | 127 Ų | 127 | 45.9 Ų | 45.9 | 59% | 0.593 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -43.3 | -176.4 | -173.4 | 173 | -143.5 | 0 | 0 | 112.5 | S244 F246 | E187-S244 VanDerWaalsContact CB-O 3.23Å; E187-S244 WeakPolarHBondContact CB-O 3.4Å; E187-S244 PolarHBondContact N-O 2.84Å; E187-S244 PolarHBondContact OE2-OG 3.03Å; E187-F246 HydrophobicContact CB-CD1 3.98Å; E187-F246 HydrophobicContact CB-CE1 4.27Å |
| 188 | A | 67.8 | Low | 81.6 | Confident | 68 Ų | 68 | 44.7 Ų | 44.7 | 56% | 0.562 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -32 | -175 | 0 | 0 | 0 | 0 | 0 | 113.5 | W186 | W186-A188 PolarHBondContact O-N 3.31Š|
| 189 | T | 65.7 | Low | 81.6 | Confident | 76 Ų | 76 | 47.2 Ų | 47.2 | 47% | 0.466 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | -15.6 | -173.8 | 59.4 | 0 | 0 | 0 | 0 | 113.4 | W186 L191 | W186-T189 VanDerWaalsContact CB-OG1 3.27Å; W186-T189 WeakPolarHBondContact CB-OG1 3.46Å; T189-L191 PolarHBondContact O-N 3.38Å; T189-L191 VanDerWaalsContact O-N 3.14Å; T189-L191 VanDerWaalsContact OG1-CB 3.32Å; T189-L191 WeakPolarHBondContact OG1-CB 3.47Å; T189-L191 PolarHBondContact OG1-N 3.27Å |
| 190 | G | 68.7 | Low | 80.7 | Confident | 28 Ų | 28 | 47.4 Ų | 47.4 | 29% | 0.289 | 27% | 0.267 | S | S | . | . | trans | 66.1 | 3.4 | -169.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | W186 C192 | W186-G190 VanDerWaalsContact O-CA 3.3Å; W186-G190 WeakPolarHBondContact O-CA 3.22Å; W186-G190 PolarHBondContact O-N 3.16Å; G190-C192 PolarHBondContact O-N 3.41Å | ||
| 191 | L | 74.8 | Confident | 79.3 | Confident | 98 Ų | 98 | 48 Ų | 48 | 51% | 0.513 | 27% | 0.272 | S | S | . | . | trans | -66.5 | 119.2 | -176.3 | -171.2 | 76.8 | 0 | 0 | 0 | 109.6 | Q185 W186 T189 | Q185-L191 WeakPolarHBondContact CA-O 3.42Å; W186-L191 PolarHBondContact N-O 2.98Å; T189-L191 PolarHBondContact O-N 3.38Å; T189-L191 VanDerWaalsContact O-N 3.14Å; T189-L191 VanDerWaalsContact OG1-CB 3.32Å; T189-L191 WeakPolarHBondContact OG1-CB 3.47Å; T189-L191 PolarHBondContact OG1-N 3.27Å | ||
| 192 | C | 78 | Confident | 77.4 | Confident | 50 Ų | 50 | 54 Ų | 54 | 34% | 0.338 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 125.1 | 178.2 | -165.1 | 0 | 0 | 0 | 0 | 110.6 | Q185 G190 A194 T195 | Q185-C192 HydrophobicContact CG-CB 4.07Å; G190-C192 PolarHBondContact O-N 3.41Å; C192-A194 PolarHBondContact SG-O 2.75Å; C192-A194 VanDerWaalsContact SG-O 3.37Å; C192-T195 PolarHBondContact SG-OG1 2.83Å |
| 193 | I | 78.8 | Confident | 75.5 | Confident | 69 Ų | 69 | 62.6 Ų | 62.6 | 35% | 0.354 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | -49.6 | 176.1 | -66.2 | 160.5 | 0 | 0 | 0 | 110 | V184 P218 L245 | V184-I193 HydrophobicContact CB-CB 4.5Å; V184-I193 HydrophobicContact CG1-CB 4.47Å; V184-I193 HydrophobicContact CG1-CD1 3.86Å; V184-I193 PolarHBondContact O-N 3.12Å; I193-P218 HydrophobicContact CD1-CG 3.93Å; I193-L245 HydrophobicContact CD1-CD2 3.31Å |
| 194 | A | 83.1 | Confident | 73.4 | Confident | 33 Ų | 33 | 69.3 Ų | 69.3 | 27% | 0.273 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 154.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | H183 V184 C192 F215 | H183-A194 WeakPolarHBondContact CA-O 3.18Å; V184-A194 PolarHBondContact N-O 3.14Å; V184-A194 VanDerWaalsContact N-O 3.09Å; C192-A194 PolarHBondContact SG-O 2.75Å; C192-A194 VanDerWaalsContact SG-O 3.37Å; A194-F215 HydrophobicContact CB-CD1 3.72Å; A194-F215 HydrophobicContact CB-CE1 4.08Å |
| 195 | T | 86.5 | Confident | 71.4 | Confident | 69 Ų | 69 | 74.7 Ų | 74.7 | 42% | 0.423 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 127.7 | 177.6 | -62.3 | 0 | 0 | 0 | 0 | 109.3 | A182 H183 C192 | A182-T195 CarbonylContact O-C 3.59Å; A182-T195 VanDerWaalsContact O-CA 3.29Å; A182-T195 WeakPolarHBondContact O-CA 3.28Å; H183-T195 WeakPolarHBondContact CE1-CG2 3.33Å; H183-T195 VanDerWaalsContact ND1-CG2 3.27Å; H183-T195 WeakPolarHBondContact ND1-CG2 3.49Å; H183-T195 PolarHBondContact ND1-OG1 3.38Å; C192-T195 PolarHBondContact SG-OG1 2.83Å |
| 196 | E | 88.7 | Confident | 69.5 | Low | 91 Ų | 91 | 80.2 Ų | 80.2 | 43% | 0.425 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 147.4 | 177.6 | -70.9 | -65.6 | 161.7 | 0 | 0 | 111 | A182 A213 F215 | A182-E196 PolarHBondContact N-O 2.93Å; A182-E196 PolarHBondContact O-N 2.79Å; E196-A213 HydrophobicContact CB-CB 3.49Å; E196-A213 VanDerWaalsContact CB-CB 3.49Å; E196-A213 HydrophobicContact CG-CB 3.83Å; E196-F215 HydrophobicContact CB-CE1 4Å; E196-F215 HydrophobicContact CB-CZ 3.73Å; E196-F215 HydrophobicContact CG-CD1 4.44Å; E196-F215 HydrophobicContact CG-CE1 3.64Å; E196-F215 HydrophobicContact CG-CZ 3.83Å |
| 197 | K | 87.8 | Confident | 68.1 | Low | 100 Ų | 100 | 88.5 Ų | 88.5 | 44% | 0.435 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 126.3 | 177 | -173.5 | 175.3 | -179.9 | 175.3 | 0 | 109.9 | Y179 A180 L181 | Y179-K197 HydrophobicContact CD2-CD 4.21Å; Y179-K197 VanDerWaalsContact CD2-CE 3.42Å; Y179-K197 HydrophobicContact CD2-CG 4.12Å; A180-K197 CarbonylContact O-C 3.59Å; A180-K197 WeakPolarHBondContact O-CA 3.28Å; L181-K197 HydrophobicContact CD2-CB 3.98Å; L181-K197 HydrophobicContact CD2-CD 4.44Å; L181-K197 HydrophobicContact CD2-CG 3.97Å |
| 198 | L | 85.5 | Confident | 66.9 | Low | 2 Ų | 2 | 87.4 Ų | 87.4 | 1% | 0.01 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 143.7 | -176.4 | -64.8 | 172.8 | 0 | 0 | 0 | 111.4 | V160 M162 Y179 A180 A182 A213 L249 | V160-L198 HydrophobicContact CG1-CD1 3.97Å; M162-L198 HydrophobicContact CB-CB 4.23Å; Y179-L198 CarbonylContact C-O 3.57Å; Y179-L198 WeakPolarHBondContact CA-O 3.38Å; Y179-L198 WeakPolarHBondContact CB-O 3.43Å; A180-L198 HydrophobicContact CB-CB 4.28Å; A180-L198 PolarHBondContact N-O 3.48Å; A180-L198 PolarHBondContact O-N 2.79Å; A182-L198 HydrophobicContact CB-CD1 3.88Å; L198-A213 HydrophobicContact CD2-CB 3.62Å; L198-A213 HydrophobicContact CG-CB 4.31Å; L198-L249 HydrophobicContact CD1-CD1 3.93Å |
| 199 | H | 82 | Confident | 66 | Low | 58 Ų | 58 | 95.3 Ų | 95.3 | 27% | 0.269 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 153.7 | 173.4 | -71.6 | -82.4 | 0 | 0 | 0 | 111 | M162 | M162-H199 VanDerWaalsContact CE-C 3.43Å |
| 200 | A | 68.5 | Low | 65.5 | Low | 21 Ų | 21 | 100 Ų | 100 | 17% | 0.174 | 50% | 0.495 | C | S | . | . | P | Polyproline II helix | trans | -78.6 | 124 | -178.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | M162 | M162-A200 HydrophobicContact CE-CB 4Å; M162-A200 VanDerWaalsContact CE-N 3.28Å |
| 201 | C | 60.2 | Low | 65.5 | Low | 14 Ų | 14 | 100.9 Ų | 100.9 | 10% | 0.095 | 49% | 0.494 | C | S | . | . | P | Polyproline II helix | trans | -101.8 | 135.5 | 177.6 | -75.8 | 0 | 0 | 0 | 0 | 112.3 | Q208 N211 | C201-Q208 PolarHBondContact SG-OE1 2.91Å; C201-N211 WeakPolarHBondContact SG-CB 3.34Å; C201-N211 PolarHBondContact SG-ND2 3.36Å |
| 202 | R | 50.5 | Low | 65.8 | Low | 166 Ų | 166 | 97.1 Ų | 97.1 | 63% | 0.626 | 48% | 0.476 | S | S | * | . | P | Polyproline II helix | trans | -70.5 | 141.3 | 168.1 | -90.2 | -173 | 170.2 | 171.5 | 0.3 | 110.3 | Q204 | R202-Q204 PolarHBondContact O-N 2.79Š|
| 203 | Q | 51.1 | Low | 66.2 | Low | 179 Ų | 179 | 94.9 Ų | 94.9 | 84% | 0.836 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -8.3 | 175.5 | -116.2 | 178.6 | -6.9 | 0 | 0 | 114.9 | ||
| 204 | Q | 45.4 | Very low | 66.6 | Low | 172 Ų | 172 | 96.6 Ų | 96.6 | 80% | 0.804 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101 | -2.4 | -170.7 | -98.4 | 175 | -20.7 | 0 | 0 | 115.6 | R202 | R202-Q204 PolarHBondContact O-N 2.79Š|
| 205 | D | 43.8 | Very low | 66.7 | Low | 112 Ų | 112 | 95.2 Ų | 95.2 | 60% | 0.599 | 45% | 0.452 | S | S | * | . | trans | -102.3 | 101.2 | 177.3 | -80.1 | -43.4 | 0 | 0 | 0 | 111.5 | K207 | D205-K207 PolarHBondContact O-N 2.71Š| ||
| 206 | S | 44 | Very low | 66.5 | Low | 129 Ų | 129 | 95.1 Ų | 95.1 | 90% | 0.902 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | 2.3 | -179.2 | 51.3 | 0 | 0 | 0 | 0 | 115.3 | ||
| 207 | K | 48.2 | Very low | 66.1 | Low | 196 Ų | 196 | 91.3 Ų | 91.3 | 85% | 0.852 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.6 | -0.3 | -174.2 | -80.5 | -172.1 | 174.7 | -177.6 | 0 | 116.2 | D205 | D205-K207 PolarHBondContact O-N 2.71Š|
| 208 | Q | 46.5 | Very low | 65.2 | Low | 104 Ų | 104 | 88.9 Ų | 88.9 | 49% | 0.486 | 43% | 0.426 | S | S | . | . | trans | -107.1 | 76.2 | -174.1 | -69.6 | -160.9 | -20.8 | 0 | 0 | 113.7 | C201 E210 | C201-Q208 PolarHBondContact SG-OE1 2.91Å; Q208-E210 PolarHBondContact O-N 2.97Å | ||
| 209 | R | 47.9 | Very low | 63.9 | Low | 235 Ų | 235 | 93.8 Ų | 93.8 | 89% | 0.887 | 45% | 0.447 | S | S | * | . | trans | -69.3 | -8.9 | 159 | -101 | -176.8 | 176.2 | -179 | -1.8 | 112.7 | ||||
| 210 | E | 54.7 | Low | 62.7 | Low | 174 Ų | 174 | 92.3 Ų | 92.3 | 81% | 0.813 | 44% | 0.441 | S | S | * | . | trans | -88.4 | -8.9 | -163.9 | -68.7 | -178.9 | 160.5 | 0 | 0 | 116.4 | Q208 | Q208-E210 PolarHBondContact O-N 2.97Š| ||
| 211 | N | 70.1 | Confident | 61.6 | Low | 47 Ų | 47 | 94.3 Ų | 94.3 | 25% | 0.251 | 45% | 0.449 | S | S | . | . | S | Bend | trans | -106.6 | 38.5 | -173.3 | -110 | -6 | 0 | 0 | 0 | 114.1 | C201 | C201-N211 WeakPolarHBondContact SG-CB 3.34Å; C201-N211 PolarHBondContact SG-ND2 3.36Å |
| 212 | A | 81.5 | Confident | 60.8 | Low | 18 Ų | 18 | 98.1 Ų | 98.1 | 15% | 0.149 | 47% | 0.472 | C | S | . | . | trans | -118.5 | 137.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | K159 R161 Y214 | K159-A212 HydrophobicContact CG-CB 4.2Å; R161-A212 HydrophobicContact CB-CB 4.25Å; A212-Y214 HydrophobicContact CB-CE2 4.04Å | ||
| 213 | A | 85.9 | Confident | 60.3 | Low | 4 Ų | 4 | 98 Ų | 98 | 3% | 0.033 | 48% | 0.479 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 137.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | K159 V160 E196 L198 F215 | K159-A213 CarbonylContact C-O 3.53Å; K159-A213 WeakPolarHBondContact CA-O 3.16Å; V160-A213 PolarHBondContact N-O 3.42Å; V160-A213 PolarHBondContact O-N 2.96Å; E196-A213 HydrophobicContact CB-CB 3.49Å; E196-A213 VanDerWaalsContact CB-CB 3.49Å; E196-A213 HydrophobicContact CG-CB 3.83Å; L198-A213 HydrophobicContact CD2-CB 3.62Å; L198-A213 HydrophobicContact CG-CB 4.31Å; A213-F215 HydrophobicContact CB-CD2 4.45Å; A213-F215 HydrophobicContact CB-CE2 3.64Å; A213-F215 HydrophobicContact CB-CZ 3.87Å |
| 214 | Y | 86.1 | Confident | 59.5 | Low | 104 Ų | 104 | 95.2 Ų | 95.2 | 41% | 0.408 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 127.2 | 176.1 | -61.9 | -91.1 | 0 | 0 | 0 | 108.8 | R157 L158 K159 A212 | R157-Y214 HydrophobicContact CG-CD1 4.12Å; L158-Y214 CarbonylContact O-C 3.5Å; L158-Y214 WeakPolarHBondContact O-CA 3.32Å; K159-Y214 HydrophobicContact CB-CD1 4.05Å; K159-Y214 HydrophobicContact CB-CE1 3.98Å; K159-Y214 HydrophobicContact CD-CE1 3.8Å; K159-Y214 HydrophobicContact CG-CD1 4.13Å; K159-Y214 HydrophobicContact CG-CE1 3.66Å; A212-Y214 HydrophobicContact CB-CE2 4.04Å |
| 215 | F | 86.2 | Confident | 58.9 | Low | 5 Ų | 5 | 90.2 Ų | 90.2 | 2% | 0.022 | 47% | 0.468 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 119.1 | 178.8 | -55.6 | -83.1 | 0 | 0 | 0 | 109.5 | L158 V160 A182 V184 A194 E196 A213 L217 L247 | L158-F215 HydrophobicContact CB-CB 4.29Å; L158-F215 HydrophobicContact CD2-CD2 4.31Å; L158-F215 PolarHBondContact N-O 2.91Å; L158-F215 PolarHBondContact O-N 2.9Å; V160-F215 HydrophobicContact CB-CE2 4.26Å; V160-F215 HydrophobicContact CG2-CD2 4.08Å; V160-F215 HydrophobicContact CG2-CE2 3.92Å; A182-F215 HydrophobicContact CB-CE2 4.17Å; A182-F215 HydrophobicContact CB-CZ 3.78Å; A182-F215 WeakPolarHBondContact O-CZ 3.43Å; V184-F215 HydrophobicContact CB-CD1 4.45Å; V184-F215 HydrophobicContact CG2-CB 3.8Å; V184-F215 HydrophobicContact CG2-CD1 3.67Å; V184-F215 HydrophobicContact CG2-CD2 3.89Å; V184-F215 HydrophobicContact CG2-CE1 4.13Å; V184-F215 HydrophobicContact CG2-CE2 4.33Å; V184-F215 HydrophobicContact CG2-CG 3.51Å; V184-F215 HydrophobicContact CG2-CZ 4.42Å; A194-F215 HydrophobicContact CB-CD1 3.72Å; A194-F215 HydrophobicContact CB-CE1 4.08Å; E196-F215 HydrophobicContact CB-CE1 4Å; E196-F215 HydrophobicContact CB-CZ 3.73Å; E196-F215 HydrophobicContact CG-CD1 4.44Å; E196-F215 HydrophobicContact CG-CE1 3.64Å; E196-F215 HydrophobicContact CG-CZ 3.83Å; A213-F215 HydrophobicContact CB-CD2 4.45Å; A213-F215 HydrophobicContact CB-CE2 3.64Å; A213-F215 HydrophobicContact CB-CZ 3.87Å; F215-L217 PolarHBondContact O-N 2.99Å; F215-L247 HydrophobicContact CE2-CD1 4.31Å |
| 216 | D | 83 | Confident | 58.2 | Low | 67 Ų | 67 | 93.8 Ų | 93.8 | 36% | 0.358 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 116.3 | 172.8 | -68.4 | -19.1 | 0 | 0 | 0 | 108.6 | M155 R157 | M155-D216 HydrophobicContact CE-CB 3.73Å; R157-D216 IonicContact CZ-OD1 3.64Å; R157-D216 IonicContact NE-OD1 2.81Å; R157-D216 PolarHBondContact NE-OD1 2.83Å; R157-D216 IonicContact NH2-OD1 3.96Å; R157-D216 PolarHBondContact NH2-OD1 2.85Å; R157-D216 IonicContact NH2-OD2 2.83Å; R157-D216 PolarHBondContact NH2-OD2 3.02Å; R157-D216 VanDerWaalsContact NH2-OD2 3.08Å |
| 217 | L | 79.3 | Confident | 57.7 | Low | 10 Ų | 10 | 97 Ų | 97 | 5% | 0.052 | 48% | 0.479 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 136.1 | -174.8 | -61.8 | 179.6 | 0 | 0 | 0 | 110.6 | Y156 L158 V184 F215 L271 | Y156-L217 PolarHBondContact O-N 3.27Å; L158-L217 HydrophobicContact CB-CD1 4.1Å; L158-L217 HydrophobicContact CB-CD2 4.37Å; L158-L217 HydrophobicContact CB-CG 4.17Å; V184-L217 HydrophobicContact CG1-CD2 3.85Å; F215-L217 PolarHBondContact O-N 2.99Å; L217-L271 HydrophobicContact CD1-CD1 4.44Å; L217-L271 HydrophobicContact CD2-CD1 4.01Å |
| 218 | P | 68.1 | Low | 56.7 | Low | 49 Ų | 49 | 99.2 Ų | 99.2 | 32% | 0.318 | 48% | 0.482 | S | S | . | . | P | Polyproline II helix | trans | -68.5 | 153.7 | 174 | 28.7 | -32.1 | 0 | 0 | 0 | 111 | W186 I193 L220 L245 | W186-P218 HydrophobicContact CH2-CG 4.39Å; W186-P218 HydrophobicContact CZ2-CB 4.45Å; W186-P218 HydrophobicContact CZ2-CG 3.66Å; I193-P218 HydrophobicContact CD1-CG 3.93Å; P218-L220 PolarHBondContact O-N 2.8Å; P218-L245 HydrophobicContact CG-CD1 4.03Å |
| 219 | F | 59.5 | Low | 56.1 | Low | 105 Ų | 105 | 101.9 Ų | 101.9 | 46% | 0.461 | 50% | 0.499 | S | S | . | . | P | Polyproline II helix | trans | -47.1 | 124.9 | -178 | -179.5 | -110.7 | 0 | 0 | 0 | 113.7 | N221 | F219-N221 HydrophobicContact CD1-CB 4.39Å; F219-N221 HydrophobicContact CE1-CB 3.73Å; F219-N221 WeakPolarHBondContact CE1-ND2 3.29Å; F219-N221 VanDerWaalsContact CE1-OD1 3.24Å; F219-N221 WeakPolarHBondContact CE1-OD1 2.96Å; F219-N221 HydrophobicContact CZ-CB 4.18Å; F219-N221 WeakPolarHBondContact CZ-OD1 3.03Å |
| 220 | L | 55.3 | Low | 55.2 | Low | 27 Ų | 27 | 99.6 Ų | 99.6 | 14% | 0.141 | 50% | 0.499 | C | S | . | . | trans | -110.5 | 105 | 173 | -74.1 | 162.1 | 0 | 0 | 0 | 107.9 | P218 T222 L245 | P218-L220 PolarHBondContact O-N 2.8Å; L220-T222 PolarHBondContact O-N 2.78Å; L220-L245 HydrophobicContact CD1-CD1 4.35Å; L220-L245 HydrophobicContact CD2-CD1 4.25Å; L220-L245 HydrophobicContact CG-CD1 4.39Å | ||
| 221 | N | 46.7 | Very low | 54.1 | Low | 64 Ų | 64 | 100.3 Ų | 100.3 | 34% | 0.342 | 50% | 0.502 | S | S | . | . | trans | -79.6 | 112.5 | 176.3 | -122.5 | -1.9 | 0 | 0 | 0 | 109.4 | F219 E223 | F219-N221 HydrophobicContact CD1-CB 4.39Å; F219-N221 HydrophobicContact CE1-CB 3.73Å; F219-N221 WeakPolarHBondContact CE1-ND2 3.29Å; F219-N221 VanDerWaalsContact CE1-OD1 3.24Å; F219-N221 WeakPolarHBondContact CE1-OD1 2.96Å; F219-N221 HydrophobicContact CZ-CB 4.18Å; F219-N221 WeakPolarHBondContact CZ-OD1 3.03Å; N221-E223 PolarHBondContact O-N 2.79Å | ||
| 222 | T | 43.3 | Very low | 52.2 | Low | 94 Ų | 94 | 106.6 Ų | 106.6 | 58% | 0.577 | 53% | 0.53 | S | S | * | . | trans | -81.4 | 85.5 | 165.9 | 20 | 0 | 0 | 0 | 0 | 108.8 | L220 V224 | L220-T222 PolarHBondContact O-N 2.78Å; T222-V224 VanDerWaalsContact C-N 3.34Å; T222-V224 PolarHBondContact O-N 2.84Å | ||
| 223 | E | 38.9 | Very low | 50 | Low | 162 Ų | 162 | 114.9 Ų | 114.9 | 76% | 0.757 | 57% | 0.565 | S | S | * | * | trans | -71.2 | 95.5 | 164.9 | -73.9 | -168.2 | 177.1 | 0 | 0 | 108.8 | N221 G225 | N221-E223 PolarHBondContact O-N 2.79Å; E223-G225 VanDerWaalsContact C-N 3.26Å; E223-G225 PolarHBondContact O-N 3.23Å | ||
| 224 | V | 35.6 | Very low | 47.2 | Very low | 122 Ų | 122 | 122 Ų | 122 | 74% | 0.739 | 60% | 0.603 | S | S | * | * | trans | -70.6 | 88.2 | 167.9 | -179.5 | 0 | 0 | 0 | 0 | 107.4 | T222 Q226 | T222-V224 VanDerWaalsContact C-N 3.34Å; T222-V224 PolarHBondContact O-N 2.84Å; V224-Q226 PolarHBondContact O-N 3.13Å; V224-Q226 VanDerWaalsContact O-N 3.1Å | ||
| 225 | G | 32.3 | Very low | 44.8 | Very low | 66 Ų | 66 | 121.8 Ų | 121.8 | 68% | 0.68 | 61% | 0.612 | S | S | * | * | trans | -61.6 | 108.9 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | E223 K227 | E223-G225 VanDerWaalsContact C-N 3.26Å; E223-G225 PolarHBondContact O-N 3.23Å; G225-K227 VanDerWaalsContact C-N 3.3Å; G225-K227 PolarHBondContact O-N 3.38Å | ||
| 226 | Q | 28.8 | Very low | 42.5 | Very low | 187 Ų | 187 | 122.4 Ų | 122.4 | 87% | 0.874 | 62% | 0.617 | S | S | * | * | trans | -63.5 | 86.8 | 170 | -76.9 | 179.5 | -19.7 | 0 | 0 | 110.1 | V224 | V224-Q226 PolarHBondContact O-N 3.13Å; V224-Q226 VanDerWaalsContact O-N 3.1Å | ||
| 227 | K | 33.8 | Very low | 40.4 | Very low | 198 Ų | 198 | 123.1 Ų | 123.1 | 86% | 0.861 | 63% | 0.632 | S | S | * | * | trans | -140.2 | 119.8 | 151.9 | -77.6 | -166.8 | 176.2 | 174.4 | 0 | 109.2 | G225 D229 | G225-K227 VanDerWaalsContact C-N 3.3Å; G225-K227 PolarHBondContact O-N 3.38Å; K227-D229 PolarHBondContact O-N 2.9Å | ||
| 228 | R | 27.4 | Very low | 38.6 | Very low | 241 Ų | 241 | 123 Ų | 123 | 91% | 0.909 | 63% | 0.634 | S | S | * | * | trans | -57.4 | 112.9 | 171.1 | -67.1 | 172.2 | -179.8 | 170 | -1.1 | 107.7 | ||||
| 229 | D | 33 | Very low | 37.3 | Very low | 160 Ų | 160 | 126 Ų | 126 | 86% | 0.856 | 64% | 0.643 | S | S | * | * | trans | -166.4 | 110.3 | 141.7 | -86.2 | -29.9 | 0 | 0 | 0 | 107.8 | K227 H231 | K227-D229 PolarHBondContact O-N 2.9Å; D229-H231 PolarHBondContact O-N 2.85Å; D229-H231 VanDerWaalsContact O-N 3.14Å | ||
| 230 | E | 30.7 | Very low | 36.7 | Very low | 187 Ų | 187 | 127.4 Ų | 127.4 | 87% | 0.874 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -70 | 101 | 176.1 | -63.3 | 177.5 | 160.1 | 0 | 0 | 108.3 | ||
| 231 | H | 31.1 | Very low | 36.4 | Very low | 189 Ų | 189 | 129.4 Ų | 129.4 | 88% | 0.875 | 68% | 0.683 | S | S | * | * | trans | 170.9 | 27.9 | 149.3 | -92.9 | 30.4 | 0 | 0 | 0 | 116 | D229 | D229-H231 PolarHBondContact O-N 2.85Å; D229-H231 VanDerWaalsContact O-N 3.14Å | ||
| 232 | E | 30.5 | Very low | 36.7 | Very low | 179 Ų | 179 | 130.6 Ų | 130.6 | 84% | 0.836 | 69% | 0.685 | S | S | * | * | trans | -127.1 | 126.7 | 166.6 | -72.7 | -169.7 | 156.5 | 0 | 0 | 111.8 | N234 | E232-N234 PolarHBondContact O-N 3.46Å; E232-N234 VanDerWaalsContact O-N 3.12Å | ||
| 233 | Q | 34 | Very low | 37.4 | Very low | 192 Ų | 192 | 127.2 Ų | 127.2 | 90% | 0.897 | 67% | 0.669 | S | S | * | * | trans | -63.6 | 110.2 | 177.1 | -73 | 173.5 | -19.2 | 0 | 0 | 109.3 | V235 | Q233-V235 PolarHBondContact O-N 2.86Š| ||
| 234 | N | 27.4 | Very low | 38.8 | Very low | 153 Ų | 153 | 120 Ų | 120 | 82% | 0.818 | 64% | 0.637 | S | S | * | * | trans | -56.8 | 108.5 | 175.9 | -72.2 | -29.6 | 0 | 0 | 0 | 111 | E232 | E232-N234 PolarHBondContact O-N 3.46Å; E232-N234 VanDerWaalsContact O-N 3.12Å | ||
| 235 | V | 36 | Very low | 40.8 | Very low | 101 Ų | 101 | 114.2 Ų | 114.2 | 61% | 0.612 | 60% | 0.602 | S | S | * | * | trans | -87.9 | 117.3 | 169.7 | 177 | 0 | 0 | 0 | 0 | 107.9 | Q233 A237 M272 | Q233-V235 PolarHBondContact O-N 2.86Å; V235-A237 PolarHBondContact O-N 3.39Å; V235-A237 VanDerWaalsContact O-N 3.08Å; V235-M272 HydrophobicContact CG1-CE 3.92Å; V235-M272 HydrophobicContact CG1-SD 4.41Å; V235-M272 HydrophobicContact CG2-CE 4.48Å | ||
| 236 | C | 37.1 | Very low | 43.2 | Very low | 18 Ų | 18 | 112 Ų | 112 | 12% | 0.122 | 57% | 0.573 | C | S | . | * | trans | -67.3 | 105.2 | 174.7 | -65.7 | 0 | 0 | 0 | 0 | 110 | M272 | C236-M272 WeakPolarHBondContact CB-O 3.34Å; C236-M272 PolarHBondContact SG-O 2.82Å | ||
| 237 | A | 40.1 | Very low | 46 | Very low | 81 Ų | 81 | 103.1 Ų | 103.1 | 67% | 0.669 | 53% | 0.532 | S | S | * | . | P | Polyproline II helix | trans | -85.3 | 120.5 | 172 | 0 | 0 | 0 | 0 | 0 | 109.7 | V235 | V235-A237 PolarHBondContact O-N 3.39Å; V235-A237 VanDerWaalsContact O-N 3.08Å |
| 238 | G | 41 | Very low | 48.6 | Very low | 9 Ų | 9 | 94.8 Ų | 94.8 | 9% | 0.093 | 50% | 0.495 | C | S | . | . | P | Polyproline II helix | trans | -66.6 | 146.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 239 | H | 40.4 | Very low | 51.6 | Low | 112 Ų | 112 | 83.4 Ų | 83.4 | 52% | 0.519 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | 137.9 | 172.1 | -114.7 | -65.7 | 0 | 0 | 0 | 111 | ||
| 240 | N | 48.1 | Very low | 54.2 | Low | 133 Ų | 133 | 76 Ų | 76 | 71% | 0.711 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.3 | 27.8 | 175.8 | -56 | -13.9 | 0 | 0 | 0 | 117.3 | K242 | N240-K242 PolarHBondContact O-N 2.8Š|
| 241 | G | 48.9 | Very low | 56.8 | Low | 70 Ų | 70 | 67 Ų | 67 | 72% | 0.722 | 37% | 0.371 | S | S | * | . | S | Bend | trans | 68.7 | 16.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114 | G243 | G241-G243 VanDerWaalsContact C-N 3.29Å; G241-G243 PolarHBondContact O-N 2.97Å |
| 242 | K | 51.8 | Low | 59.4 | Low | 88 Ų | 88 | 60.1 Ų | 60.1 | 38% | 0.383 | 34% | 0.337 | S | S | . | . | trans | -82.3 | 1.5 | -173.9 | -68.9 | -175.5 | 177.4 | -179.8 | 0 | 114.6 | W186 N240 | W186-K242 HydrophobicContact CD2-CB 3.98Å; W186-K242 HydrophobicContact CE3-CB 3.78Å; W186-K242 HydrophobicContact CZ3-CB 4.07Å; N240-K242 PolarHBondContact O-N 2.8Å | ||
| 243 | G | 58.8 | Low | 61.7 | Low | 23 Ų | 23 | 51.9 Ų | 51.9 | 24% | 0.237 | 30% | 0.298 | C | S | . | . | trans | 77.4 | -171.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | W186 G241 | W186-G243 WeakPolarHBondContact CZ3-O 3.32Å; G241-G243 VanDerWaalsContact C-N 3.29Å; G241-G243 PolarHBondContact O-N 2.97Å | ||
| 244 | S | 67.5 | Low | 63.8 | Low | 12 Ų | 12 | 45.8 Ų | 45.8 | 8% | 0.084 | 27% | 0.272 | C | S | . | . | trans | -77.7 | 151.8 | 175.5 | 83.4 | 0 | 0 | 0 | 0 | 111 | E187 | E187-S244 VanDerWaalsContact CB-O 3.23Å; E187-S244 WeakPolarHBondContact CB-O 3.4Å; E187-S244 PolarHBondContact N-O 2.84Å; E187-S244 PolarHBondContact OE2-OG 3.03Å | ||
| 245 | L | 77.9 | Confident | 65.7 | Low | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 143.8 | 170.6 | -78.4 | 166.7 | 0 | 0 | 0 | 109.8 | V184 W186 I193 P218 L220 L271 | V184-L245 HydrophobicContact CG1-CD2 4.33Å; W186-L245 HydrophobicContact CD2-CD2 3.64Å; W186-L245 HydrophobicContact CD2-CG 4.21Å; W186-L245 HydrophobicContact CE3-CD2 3.86Å; W186-L245 HydrophobicContact CE3-CG 3.92Å; W186-L245 HydrophobicContact CG-CD2 4.12Å; W186-L245 HydrophobicContact CH2-CD1 4.14Å; W186-L245 HydrophobicContact CH2-CD2 4.19Å; W186-L245 HydrophobicContact CH2-CG 3.96Å; W186-L245 HydrophobicContact CZ2-CD1 4.39Å; W186-L245 HydrophobicContact CZ2-CD2 3.97Å; W186-L245 HydrophobicContact CZ2-CG 4.23Å; W186-L245 HydrophobicContact CZ3-CD1 4.41Å; W186-L245 HydrophobicContact CZ3-CD2 4.14Å; W186-L245 HydrophobicContact CZ3-CG 3.8Å; I193-L245 HydrophobicContact CD1-CD2 3.31Å; P218-L245 HydrophobicContact CG-CD1 4.03Å; L220-L245 HydrophobicContact CD1-CD1 4.35Å; L220-L245 HydrophobicContact CD2-CD1 4.25Å; L220-L245 HydrophobicContact CG-CD1 4.39Å; L245-L271 HydrophobicContact CB-CB 4.09Å; L245-L271 HydrophobicContact CB-CD1 4.23Å; L245-L271 WeakPolarHBondContact O-CB 3.4Å; L245-L271 PolarHBondContact O-N 2.81Å |
| 246 | F | 83.9 | Confident | 66.8 | Low | 19 Ų | 19 | 41 Ų | 41 | 8% | 0.083 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 147.4 | 172.1 | 72.9 | -78 | 0 | 0 | 0 | 112.3 | Q185 E187 R248 L269 | Q185-F246 HydrophobicContact CB-CD1 4.26Å; Q185-F246 HydrophobicContact CB-CE1 3.57Å; Q185-F246 HydrophobicContact CB-CE2 4.37Å; Q185-F246 HydrophobicContact CB-CZ 3.64Å; Q185-F246 HydrophobicContact CG-CZ 4.35Å; Q185-F246 PolarHBondContact N-O 2.99Å; Q185-F246 WeakPolarHBondContact O-CD1 3.28Å; Q185-F246 PolarHBondContact O-N 3.25Å; E187-F246 HydrophobicContact CB-CD1 3.98Å; E187-F246 HydrophobicContact CB-CE1 4.27Å; F246-R248 HydrophobicContact CD2-CB 4.08Å; F246-R248 HydrophobicContact CE2-CB 3.74Å; F246-R248 HydrophobicContact CE2-CG 4.44Å; F246-L269 CarbonylContact C-O 3.53Å; F246-L269 VanDerWaalsContact CA-O 3.26Å; F246-L269 WeakPolarHBondContact CA-O 3.42Å; F246-L269 WeakPolarHBondContact CB-O 3.29Å |
| 247 | L | 87 | Confident | 67.7 | Low | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.005 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 122.1 | 168.1 | 175.5 | 68.1 | 0 | 0 | 0 | 108.9 | I140 L158 V160 A182 H183 V184 F215 R268 L269 L271 | I140-L247 HydrophobicContact CD1-CD2 4.21Å; L158-L247 HydrophobicContact CD2-CD2 4.41Å; V160-L247 HydrophobicContact CG1-CD2 4.06Å; V160-L247 HydrophobicContact CG2-CD1 4.19Å; V160-L247 HydrophobicContact CG2-CD2 3.61Å; A182-L247 HydrophobicContact CB-CD1 4.26Å; H183-L247 CarbonylContact O-C 3.59Å; H183-L247 WeakPolarHBondContact O-CA 3.46Å; V184-L247 HydrophobicContact CG2-CD1 4.09Å; F215-L247 HydrophobicContact CE2-CD1 4.31Å; L247-R268 CarbonylContact O-C 3.6Å; L247-R268 WeakPolarHBondContact O-CA 3.28Å; L247-L269 HydrophobicContact CB-CB 4.41Å; L247-L269 HydrophobicContact CD2-CD1 4.36Å; L247-L269 PolarHBondContact N-O 3.44Å; L247-L269 PolarHBondContact O-N 2.89Å; L247-L271 HydrophobicContact CB-CD1 4.46Å; L247-L271 HydrophobicContact CB-CD2 4.34Å |
| 248 | R | 88.1 | Confident | 68.3 | Low | 23 Ų | 23 | 52 Ų | 52 | 9% | 0.087 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 114.2 | 173.5 | -177.3 | -178.8 | 178 | -155.8 | -6.4 | 110 | A182 H183 F246 E266 V267 R268 S294 | A182-R248 CarbonylContact C-O 3.57Å; A182-R248 WeakPolarHBondContact CA-O 3.41Å; H183-R248 HydrophobicContact CB-CB 4.34Å; H183-R248 PolarHBondContact N-O 3.09Å; H183-R248 PolarHBondContact O-N 2.9Å; F246-R248 HydrophobicContact CD2-CB 4.08Å; F246-R248 HydrophobicContact CE2-CB 3.74Å; F246-R248 HydrophobicContact CE2-CG 4.44Å; R248-E266 IonicContact CZ-OE2 2.72Å; R248-E266 IonicContact NE-OE1 2.95Å; R248-E266 IonicContact NE-OE2 2.73Å; R248-E266 PolarHBondContact NE-OE2 3.14Å; R248-E266 IonicContact NH2-OE2 3.16Å; R248-E266 PolarHBondContact NH2-OE2 2.8Å; R248-V267 CarbonylContact C-O 3.55Å; R248-V267 WeakPolarHBondContact CA-O 3.36Å; R248-R268 HydrophobicContact CG-CG 4.28Å; R248-S294 PolarHBondContact NH1-OG 2.76Å; R248-S294 VanDerWaalsContact NH1-OG 3.1Å |
| 249 | L | 89.8 | Confident | 69.2 | Low | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.005 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 117 | 177.4 | -173 | 146 | 0 | 0 | 0 | 109.8 | V136 L138 V160 A180 L181 A182 L198 V251 E266 V267 | V136-L249 HydrophobicContact CG2-CD2 4.44Å; L138-L249 HydrophobicContact CD1-CD1 4Å; L138-L249 HydrophobicContact CD2-CD1 3.49Å; L138-L249 VanDerWaalsContact CD2-CD1 3.49Å; L138-L249 HydrophobicContact CD2-CD2 4.27Å; L138-L249 HydrophobicContact CG-CD1 4.42Å; V160-L249 HydrophobicContact CG1-CD1 4.22Å; A180-L249 HydrophobicContact CB-CD1 4.33Å; A180-L249 HydrophobicContact CB-CD2 3.66Å; A180-L249 HydrophobicContact CB-CG 3.9Å; L181-L249 CarbonylContact O-C 3.55Å; L181-L249 WeakPolarHBondContact O-CA 3.44Å; A182-L249 HydrophobicContact CB-CD1 4.44Å; L198-L249 HydrophobicContact CD1-CD1 3.93Å; L249-V251 HydrophobicContact CD2-CG2 3.83Å; L249-E266 CarbonylContact O-C 3.24Å; L249-E266 WeakPolarHBondContact O-CA 3.42Å; L249-E266 WeakPolarHBondContact O-CB 3.27Å; L249-V267 PolarHBondContact N-O 3.49Å; L249-V267 PolarHBondContact O-N 2.97Å |
| 250 | S | 87.9 | Confident | 70.2 | Confident | 4 Ų | 4 | 55.5 Ų | 55.5 | 3% | 0.028 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 127.5 | -179.9 | 58.1 | 0 | 0 | 0 | 0 | 110.9 | A180 L181 W252 | A180-S250 CarbonylContact C-O 3.55Å; A180-S250 WeakPolarHBondContact CA-O 3.37Å; L181-S250 PolarHBondContact N-O 3.43Å; L181-S250 PolarHBondContact O-N 3.19Å; L181-S250 PolarHBondContact O-OG 3.26Å; S250-W252 PolarHBondContact OG-NE1 3.39Å |
| 251 | V | 86.3 | Confident | 71.3 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 134.4 | -178.3 | -176.5 | 0 | 0 | 0 | 0 | 110.2 | V136 V178 Y179 A180 L249 F263 H264 G265 L287 | V136-V251 HydrophobicContact CG2-CG2 4.49Å; V178-V251 HydrophobicContact CG1-CG1 3.76Å; Y179-V251 WeakPolarHBondContact O-CA 3.26Å; A180-V251 HydrophobicContact CB-CG2 4.26Å; L249-V251 HydrophobicContact CD2-CG2 3.83Å; V251-F263 WeakPolarHBondContact O-CD2 3.46Å; V251-H264 HydrophobicContact CB-CB 4.12Å; V251-H264 HydrophobicContact CG1-CB 3.96Å; V251-H264 PolarHBondContact O-N 2.95Å; V251-G265 PolarHBondContact N-O 3.35Å; V251-L287 HydrophobicContact CB-CD1 4.03Å; V251-L287 HydrophobicContact CB-CD2 4.27Å; V251-L287 HydrophobicContact CG1-CD1 4.41Å; V251-L287 HydrophobicContact CG2-CD1 4Å; V251-L287 HydrophobicContact CG2-CD2 3.55Å; V251-L287 HydrophobicContact CG2-CG 4.47Å |
| 252 | W | 84.2 | Confident | 72.3 | Confident | 44 Ų | 44 | 51.8 Ų | 51.8 | 17% | 0.167 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 159.8 | -172.4 | -61.2 | 86.8 | 0 | 0 | 0 | 112 | V178 Y179 S250 T261 F262 F263 R290 | V178-W252 WeakPolarHBondContact CA-O 3.35Å; V178-W252 WeakPolarHBondContact CG1-O 2.99Å; Y179-W252 HydrophobicContact CD1-CB 4.27Å; Y179-W252 HydrophobicContact CD2-CB 4.13Å; Y179-W252 HydrophobicContact CE1-CB 3.74Å; Y179-W252 HydrophobicContact CE2-CB 3.61Å; Y179-W252 AromaticContact CE2-CG 3.96Å; Y179-W252 HydrophobicContact CE2-CG 3.96Å; Y179-W252 HydrophobicContact CG-CB 4.45Å; Y179-W252 VanDerWaalsContact CZ-CB 3.4Å; Y179-W252 PolarHBondContact N-O 3.01Å; Y179-W252 PolarHBondContact O-N 2.96Å; S250-W252 PolarHBondContact OG-NE1 3.39Å; W252-T261 WeakPolarHBondContact CZ3-OG1 3.18Å; W252-F262 CarbonylContact C-O 3.58Å; W252-F262 VanDerWaalsContact CA-O 3.24Å; W252-F262 WeakPolarHBondContact CA-O 3.19Å; W252-F263 HydrophobicContact CD2-CB 4.44Å; W252-F263 HydrophobicContact CD2-CD2 4.15Å; W252-F263 HydrophobicContact CE3-CB 3.92Å; W252-F263 HydrophobicContact CE3-CD2 4.44Å; W252-F263 HydrophobicContact CZ3-CB 4.13Å; W252-R290 VanDerWaalsContact CZ3-NH2 3.31Å |
| 253 | H | 79.7 | Confident | 73.4 | Confident | 5 Ų | 5 | 49.2 Ų | 49.2 | 2% | 0.023 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 124.6 | 179.7 | -169.9 | 162.3 | 0 | 0 | 0 | 110.4 | L170 E177 V178 T261 F262 H264 | L170-H253 WeakPolarHBondContact CB-ND1 3.44Å; E177-H253 WeakPolarHBondContact CB-NE2 3.24Å; E177-H253 CarbonylContact O-C 3.41Å; E177-H253 VanDerWaalsContact O-CA 3.26Å; E177-H253 WeakPolarHBondContact O-CA 3.46Å; E177-H253 PolarHBondContact O-CD2 3.23Å; E177-H253 IonicContact OE2-CE1 3.66Å; E177-H253 IonicContact OE2-NE2 2.76Å; E177-H253 PolarHBondContact OE2-NE2 3.08Å; E177-H253 VanDerWaalsContact OE2-NE2 3.14Å; V178-H253 HydrophobicContact CG2-CB 4.47Å; H253-T261 CarbonylContact O-C 3.58Å; H253-T261 WeakPolarHBondContact O-CA 3.12Å; H253-F262 HydrophobicContact CB-CB 4.3Å; H253-F262 PolarHBondContact N-O 2.96Å; H253-F262 PolarHBondContact O-N 3.25Å; H253-H264 VanDerWaalsContact CB-NE2 3.26Å; H253-H264 WeakPolarHBondContact CB-NE2 3.27Å; H253-H264 AromaticContact CG-NE2 3.7Å; H253-H264 AromaticContact ND1-NE2 3.29Å; H253-H264 PolarHBondContact ND1-NE2 3.41Å |
| 254 | D | 77.2 | Confident | 74 | Confident | 64 Ų | 64 | 48.2 Ų | 48.2 | 34% | 0.342 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 122.1 | 174 | -69.5 | -31.7 | 0 | 0 | 0 | 110.4 | E177 Y179 T261 | E177-D254 PolarHBondContact O-N 2.97Å; Y179-D254 VanDerWaalsContact CE1-OD1 3.22Å; Y179-D254 WeakPolarHBondContact CE1-OD1 3.48Å; D254-T261 WeakPolarHBondContact OD1-CG2 3.39Å |
| 255 | L | 68 | Low | 74.3 | Confident | 58 Ų | 58 | 47.7 Ų | 47.7 | 30% | 0.304 | 25% | 0.252 | S | S | . | . | P | Polyproline II helix | trans | -83.8 | 125.4 | -179 | -71.9 | 168 | 0 | 0 | 0 | 111 | L170 R257 S258 S260 F262 | L170-L255 HydrophobicContact CD1-CD2 3.76Å; L255-R257 PolarHBondContact O-N 3.27Å; L255-S258 PolarHBondContact O-N 3.44Å; L255-S260 PolarHBondContact N-O 2.93Å; L255-F262 HydrophobicContact CD1-CB 4.46Å; L255-F262 HydrophobicContact CG-CB 4.45Å |
| 256 | P | 58.4 | Low | 74.6 | Confident | 95 Ų | 95 | 47.8 Ų | 47.8 | 62% | 0.617 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | 132 | 177.9 | -22.2 | 31 | 0 | 0 | 0 | 111.7 | S258 | P256-S258 VanDerWaalsContact C-N 3.29Å; P256-S258 PolarHBondContact O-N 2.8Å |
| 257 | R | 57.7 | Low | 74.6 | Confident | 266 Ų | 266 | 47.3 Ų | 47.3 | 100% | 1.004 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.5 | 18.6 | 177 | -53.2 | 178.6 | 174.7 | 154.5 | -1.5 | 115.8 | L255 | L255-R257 PolarHBondContact O-N 3.27Š|
| 258 | S | 53 | Low | 74.5 | Confident | 65 Ų | 65 | 51.1 Ų | 51.1 | 46% | 0.455 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -133.1 | 145.8 | 169.7 | -171.9 | 0 | 0 | 0 | 0 | 109.6 | L255 P256 S260 | L255-S258 PolarHBondContact O-N 3.44Å; P256-S258 VanDerWaalsContact C-N 3.29Å; P256-S258 PolarHBondContact O-N 2.8Å; S258-S260 PolarHBondContact O-N 2.72Å; S258-S260 WeakPolarHBondContact OG-CB 3.33Å; S258-S260 PolarHBondContact OG-N 2.88Å |
| 259 | S | 59.1 | Low | 74.2 | Confident | 136 Ų | 136 | 51 Ų | 51 | 95% | 0.951 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -74.5 | 6.5 | 165.6 | 50.9 | 0 | 0 | 0 | 0 | 112.6 | ||
| 260 | S | 60.5 | Low | 73.8 | Confident | 58 Ų | 58 | 53.8 Ų | 53.8 | 41% | 0.406 | 28% | 0.284 | S | S | . | . | trans | -84.7 | 145 | 178.5 | -171.2 | 0 | 0 | 0 | 0 | 111.7 | L255 S258 | L255-S260 PolarHBondContact N-O 2.93Å; S258-S260 PolarHBondContact O-N 2.72Å; S258-S260 WeakPolarHBondContact OG-CB 3.33Å; S258-S260 PolarHBondContact OG-N 2.88Å | ||
| 261 | T | 71.9 | Confident | 73.2 | Confident | 55 Ų | 55 | 54.1 Ų | 54.1 | 34% | 0.337 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 147.5 | 175.4 | 57.2 | 0 | 0 | 0 | 0 | 109.3 | W252 H253 D254 | W252-T261 WeakPolarHBondContact CZ3-OG1 3.18Å; H253-T261 CarbonylContact O-C 3.58Å; H253-T261 WeakPolarHBondContact O-CA 3.12Å; D254-T261 WeakPolarHBondContact OD1-CG2 3.39Å |
| 262 | F | 70.1 | Confident | 71.8 | Confident | 70 Ų | 70 | 56.8 Ų | 56.8 | 31% | 0.307 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 131.2 | 178.7 | -173.6 | -84.7 | 0 | 0 | 0 | 110.2 | L169 L170 W252 H253 L255 H264 | L169-F262 HydrophobicContact CB-CE1 3.6Å; L169-F262 HydrophobicContact CB-CZ 3.91Å; L169-F262 HydrophobicContact CD1-CE1 3.61Å; L169-F262 HydrophobicContact CD1-CZ 3.74Å; L169-F262 HydrophobicContact CG-CE1 4.18Å; L169-F262 HydrophobicContact CG-CZ 4.4Å; L170-F262 HydrophobicContact CD1-CB 3.66Å; L170-F262 HydrophobicContact CD1-CD1 3.74Å; L170-F262 HydrophobicContact CD1-CD2 3.84Å; L170-F262 HydrophobicContact CD1-CE1 4.37Å; L170-F262 HydrophobicContact CD1-CE2 4.43Å; L170-F262 HydrophobicContact CD1-CG 3.44Å; L170-F262 VanDerWaalsContact CD1-CG 3.44Å; L170-F262 HydrophobicContact CG-CD1 4.26Å; L170-F262 HydrophobicContact CG-CE1 4.45Å; L170-F262 HydrophobicContact CG-CG 4.34Å; W252-F262 CarbonylContact C-O 3.58Å; W252-F262 VanDerWaalsContact CA-O 3.24Å; W252-F262 WeakPolarHBondContact CA-O 3.19Å; H253-F262 HydrophobicContact CB-CB 4.3Å; H253-F262 PolarHBondContact N-O 2.96Å; H253-F262 PolarHBondContact O-N 3.25Å; L255-F262 HydrophobicContact CD1-CB 4.46Å; L255-F262 HydrophobicContact CG-CB 4.45Å; F262-H264 AromaticContact CD1-CE1 3.56Å; F262-H264 AromaticContact CD1-ND1 3.77Å; F262-H264 AromaticContact CD1-NE2 3.99Å; F262-H264 AromaticContact CE1-CE1 3.72Å; F262-H264 AromaticContact CE1-ND1 3.64Å |
| 263 | F | 74.3 | Confident | 70.5 | Confident | 35 Ų | 35 | 57.3 Ų | 57.3 | 15% | 0.154 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 124.1 | -179.1 | 172.5 | -109.8 | 0 | 0 | 0 | 111.5 | F132 V251 W252 G265 E266 R290 | F132-F263 HydrophobicContact CE1-CD1 4.3Å; F132-F263 HydrophobicContact CE1-CE1 4.46Å; F132-F263 WeakPolarHBondContact CE1-O 3.3Å; F132-F263 HydrophobicContact CZ-CD1 4.29Å; V251-F263 WeakPolarHBondContact O-CD2 3.46Å; W252-F263 HydrophobicContact CD2-CB 4.44Å; W252-F263 HydrophobicContact CD2-CD2 4.15Å; W252-F263 HydrophobicContact CE3-CB 3.92Å; W252-F263 HydrophobicContact CE3-CD2 4.44Å; W252-F263 HydrophobicContact CZ3-CB 4.13Å; F263-G265 WeakPolarHBondContact CE2-O 3.33Å; F263-G265 WeakPolarHBondContact CZ-O 3.36Å; F263-E266 HydrophobicContact CE2-CB 4.3Å; F263-E266 HydrophobicContact CZ-CB 4.05Å; F263-E266 HydrophobicContact CZ-CG 4.26Å; F263-R290 HydrophobicContact CD1-CG 4.24Å; F263-R290 HydrophobicContact CE1-CG 3.41Å; F263-R290 VanDerWaalsContact CE1-CG 3.41Å; F263-R290 HydrophobicContact CE2-CG 4.1Å; F263-R290 HydrophobicContact CZ-CG 3.27Å |
| 264 | H | 72 | Confident | 69.2 | Low | 2 Ų | 2 | 58 Ų | 58 | 1% | 0.009 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | -0.4 | 179.9 | -74.1 | -58.5 | 0 | 0 | 0 | 114.4 | F132 L168 L169 L170 V251 H253 F262 L287 | F132-H264 VanDerWaalsContact CD1-C 3.44Å; F132-H264 WeakPolarHBondContact CD1-O 3.36Å; F132-H264 WeakPolarHBondContact CE1-O 3.12Å; L168-H264 HydrophobicContact CD2-CB 4Å; L169-H264 PolarHBondContact N-CE1 3.31Å; L169-H264 PolarHBondContact N-ND1 2.97Å; L170-H264 PolarHBondContact N-CE1 3.45Å; V251-H264 HydrophobicContact CB-CB 4.12Å; V251-H264 HydrophobicContact CG1-CB 3.96Å; V251-H264 PolarHBondContact O-N 2.95Å; H253-H264 VanDerWaalsContact CB-NE2 3.26Å; H253-H264 WeakPolarHBondContact CB-NE2 3.27Å; H253-H264 AromaticContact CG-NE2 3.7Å; H253-H264 AromaticContact ND1-NE2 3.29Å; H253-H264 PolarHBondContact ND1-NE2 3.41Å; F262-H264 AromaticContact CD1-CE1 3.56Å; F262-H264 AromaticContact CD1-ND1 3.77Å; F262-H264 AromaticContact CD1-NE2 3.99Å; F262-H264 AromaticContact CE1-CE1 3.72Å; F262-H264 AromaticContact CE1-ND1 3.64Å; H264-L287 HydrophobicContact CB-CD1 4.2Å; H264-L287 VanDerWaalsContact O-CD1 3.27Å; H264-L287 WeakPolarHBondContact O-CD1 3.31Å |
| 265 | G | 74 | Confident | 68.2 | Low | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 117.9 | 175.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | V251 F263 K288 | V251-G265 PolarHBondContact N-O 3.35Å; F263-G265 WeakPolarHBondContact CE2-O 3.33Å; F263-G265 WeakPolarHBondContact CZ-O 3.36Å; G265-K288 CarbonylContact C-O 3.43Å; G265-K288 VanDerWaalsContact CA-O 3.28Å; G265-K288 WeakPolarHBondContact CA-O 3.37Å |
| 266 | E | 83.5 | Confident | 67.7 | Low | 3 Ų | 3 | 60.8 Ų | 60.8 | 1% | 0.014 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 153.3 | -176.4 | 66 | 179.8 | -153.4 | 0 | 0 | 113.4 | R248 L249 F263 R268 K288 | R248-E266 IonicContact CZ-OE2 2.72Å; R248-E266 IonicContact NE-OE1 2.95Å; R248-E266 IonicContact NE-OE2 2.73Å; R248-E266 PolarHBondContact NE-OE2 3.14Å; R248-E266 IonicContact NH2-OE2 3.16Å; R248-E266 PolarHBondContact NH2-OE2 2.8Å; L249-E266 CarbonylContact O-C 3.24Å; L249-E266 WeakPolarHBondContact O-CA 3.42Å; L249-E266 WeakPolarHBondContact O-CB 3.27Å; F263-E266 HydrophobicContact CE2-CB 4.3Å; F263-E266 HydrophobicContact CZ-CB 4.05Å; F263-E266 HydrophobicContact CZ-CG 4.26Å; E266-R268 IonicContact OE1-CZ 3.08Å; E266-R268 IonicContact OE1-NE 3.06Å; E266-R268 PolarHBondContact OE1-NE 3.48Å; E266-R268 IonicContact OE1-NH2 3.32Å; E266-R268 PolarHBondContact OE1-NH2 2.94Å; E266-K288 PolarHBondContact N-O 3.15Å; E266-K288 WeakPolarHBondContact O-CB 3.17Å; E266-K288 PolarHBondContact O-N 3.46Å |
| 267 | V | 85.1 | Confident | 67.9 | Low | 8 Ų | 8 | 57.1 Ų | 57.1 | 5% | 0.048 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 135.8 | 170.7 | -175.4 | 0 | 0 | 0 | 0 | 107.7 | V136 L138 R248 L249 L269 Y285 L287 | V136-V267 HydrophobicContact CG1-CG2 3.55Å; L138-V267 HydrophobicContact CD1-CG1 4.49Å; R248-V267 CarbonylContact C-O 3.55Å; R248-V267 WeakPolarHBondContact CA-O 3.36Å; L249-V267 PolarHBondContact N-O 3.49Å; L249-V267 PolarHBondContact O-N 2.97Å; V267-L269 HydrophobicContact CG1-CD1 4.33Å; V267-L269 HydrophobicContact CG1-CD2 3.93Å; V267-L269 HydrophobicContact CG1-CG 3.94Å; V267-Y285 HydrophobicContact CG1-CD1 3.7Å; V267-Y285 HydrophobicContact CG1-CE1 4.47Å; V267-Y285 HydrophobicContact CG1-CG 3.89Å; V267-Y285 HydrophobicContact CG2-CG 4.5Å; V267-L287 HydrophobicContact CG2-CD2 3.92Å |
| 268 | R | 83.4 | Confident | 67.8 | Low | 81 Ų | 81 | 49.6 Ų | 49.6 | 31% | 0.306 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 125.1 | 173.8 | -64.1 | -176.3 | -175.2 | -160 | -3.5 | 109 | L247 R248 E266 | L247-R268 CarbonylContact O-C 3.6Å; L247-R268 WeakPolarHBondContact O-CA 3.28Å; R248-R268 HydrophobicContact CG-CG 4.28Å; E266-R268 IonicContact OE1-CZ 3.08Å; E266-R268 IonicContact OE1-NE 3.06Å; E266-R268 PolarHBondContact OE1-NE 3.48Å; E266-R268 IonicContact OE1-NH2 3.32Å; E266-R268 PolarHBondContact OE1-NH2 2.94Å |
| 269 | L | 83.4 | Confident | 68.2 | Low | 21 Ų | 21 | 53.7 Ų | 53.7 | 11% | 0.11 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 115.3 | -178 | -58.3 | 175.2 | 0 | 0 | 0 | 109.1 | I140 F246 L247 V267 L271 Y285 | I140-L269 HydrophobicContact CD1-CD1 3.25Å; F246-L269 CarbonylContact C-O 3.53Å; F246-L269 VanDerWaalsContact CA-O 3.26Å; F246-L269 WeakPolarHBondContact CA-O 3.42Å; F246-L269 WeakPolarHBondContact CB-O 3.29Å; L247-L269 HydrophobicContact CB-CB 4.41Å; L247-L269 HydrophobicContact CD2-CD1 4.36Å; L247-L269 PolarHBondContact N-O 3.44Å; L247-L269 PolarHBondContact O-N 2.89Å; V267-L269 HydrophobicContact CG1-CD1 4.33Å; V267-L269 HydrophobicContact CG1-CD2 3.93Å; V267-L269 HydrophobicContact CG1-CG 3.94Å; L269-L271 PolarHBondContact O-N 3.39Å; L269-Y285 HydrophobicContact CD1-CE1 3.93Å; L269-Y285 HydrophobicContact CD2-CD1 3.88Å; L269-Y285 HydrophobicContact CD2-CE1 3.36Å; L269-Y285 HydrophobicContact CG-CE1 4.27Å |
| 270 | P | 80.1 | Confident | 68.4 | Low | 60 Ų | 60 | 51 Ų | 51 | 39% | 0.39 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 133 | 172.6 | 30.2 | -33.6 | 0 | 0 | 0 | 109.2 | M272 | P270-M272 HydrophobicContact CB-CE 4.39Å; P270-M272 HydrophobicContact CB-CG 4Å; P270-M272 HydrophobicContact CB-SD 4.3Å; P270-M272 HydrophobicContact CG-CG 4.45Å; P270-M272 PolarHBondContact O-N 3.28Å |
| 271 | L | 76.1 | Confident | 69 | Low | 10 Ų | 10 | 53.3 Ų | 53.3 | 5% | 0.052 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 78.2 | 178.8 | -59.5 | 174.2 | 0 | 0 | 0 | 107.3 | L158 V184 L217 L245 L247 L269 F277 | L158-L271 HydrophobicContact CD1-CD2 4.3Å; L158-L271 HydrophobicContact CD2-CD1 4.03Å; L158-L271 HydrophobicContact CD2-CD2 4.04Å; V184-L271 HydrophobicContact CG1-CD1 4.23Å; L217-L271 HydrophobicContact CD1-CD1 4.44Å; L217-L271 HydrophobicContact CD2-CD1 4.01Å; L245-L271 HydrophobicContact CB-CB 4.09Å; L245-L271 HydrophobicContact CB-CD1 4.23Å; L245-L271 WeakPolarHBondContact O-CB 3.4Å; L245-L271 PolarHBondContact O-N 2.81Å; L247-L271 HydrophobicContact CB-CD1 4.46Å; L247-L271 HydrophobicContact CB-CD2 4.34Å; L269-L271 PolarHBondContact O-N 3.39Å; L271-F277 HydrophobicContact CD2-CE2 4.03Å |
| 272 | M | 56.9 | Low | 69.6 | Low | 57 Ų | 57 | 54.8 Ų | 54.8 | 28% | 0.281 | 28% | 0.282 | S | S | . | . | trans | -85.2 | -31.1 | -168 | -68.7 | -60.5 | -143.7 | 0 | 0 | 113.5 | V235 C236 P270 | V235-M272 HydrophobicContact CG1-CE 3.92Å; V235-M272 HydrophobicContact CG1-SD 4.41Å; V235-M272 HydrophobicContact CG2-CE 4.48Å; C236-M272 WeakPolarHBondContact CB-O 3.34Å; C236-M272 PolarHBondContact SG-O 2.82Å; P270-M272 HydrophobicContact CB-CE 4.39Å; P270-M272 HydrophobicContact CB-CG 4Å; P270-M272 HydrophobicContact CB-SD 4.3Å; P270-M272 HydrophobicContact CG-CG 4.45Å; P270-M272 PolarHBondContact O-N 3.28Å | ||
| 273 | C | 56.5 | Low | 70.2 | Confident | 54 Ų | 54 | 51.8 Ų | 51.8 | 37% | 0.365 | 27% | 0.27 | S | S | . | . | trans | -147.2 | 141.3 | 177 | -67.6 | 0 | 0 | 0 | 0 | 110.2 | N275 Q276 | C273-N275 PolarHBondContact O-N 3Å; C273-Q276 WeakPolarHBondContact O-CB 3.26Å; C273-Q276 PolarHBondContact O-N 3.36Å | ||
| 274 | P | 52.9 | Low | 70.8 | Confident | 21 Ų | 21 | 51.5 Ų | 51.5 | 14% | 0.136 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -57.4 | -35.8 | 176.1 | -20.4 | 29.4 | 0 | 0 | 0 | 113.4 | Y156 Q276 | Y156-P274 HydrophobicContact CD1-CB 3.4Å; Y156-P274 VanDerWaalsContact CD1-CB 3.4Å; Y156-P274 HydrophobicContact CD1-CG 4.21Å; Y156-P274 HydrophobicContact CD2-CB 3.87Å; Y156-P274 HydrophobicContact CD2-CG 3.73Å; Y156-P274 HydrophobicContact CE1-CB 3.15Å; Y156-P274 HydrophobicContact CE1-CG 3.87Å; Y156-P274 HydrophobicContact CE2-CB 3.67Å; Y156-P274 HydrophobicContact CE2-CG 3.38Å; Y156-P274 HydrophobicContact CG-CB 3.73Å; Y156-P274 HydrophobicContact CG-CG 4.12Å; Y156-P274 VanDerWaalsContact CZ-CG 3.43Å; P274-Q276 PolarHBondContact O-N 2.94Å; P274-Q276 VanDerWaalsContact O-N 3.15Å |
| 275 | N | 55 | Low | 71.4 | Confident | 105 Ų | 105 | 52.1 Ų | 52.1 | 56% | 0.561 | 27% | 0.27 | S | S | * | . | G | 310 helix | trans | -72.5 | -3.8 | 179.3 | -56.7 | 15.3 | 0 | 0 | 0 | 113.7 | C273 F277 D278 | C273-N275 PolarHBondContact O-N 3Å; N275-F277 PolarHBondContact O-N 3.33Å; N275-D278 WeakPolarHBondContact CA-OD2 3.31Å; N275-D278 WeakPolarHBondContact CB-OD2 3.43Å |
| 276 | Q | 58.4 | Low | 71.6 | Confident | 74 Ų | 74 | 54.4 Ų | 54.4 | 35% | 0.346 | 28% | 0.279 | S | S | . | . | G | 310 helix | trans | -63.1 | -24.8 | -179.2 | -169.7 | 174.2 | 5.8 | 0 | 0 | 112.1 | C273 P274 K281 | C273-Q276 WeakPolarHBondContact O-CB 3.26Å; C273-Q276 PolarHBondContact O-N 3.36Å; P274-Q276 PolarHBondContact O-N 2.94Å; P274-Q276 VanDerWaalsContact O-N 3.15Å; Q276-K281 PolarHBondContact O-NZ 3.18Å |
| 277 | F | 62 | Low | 71.2 | Confident | 18 Ų | 18 | 54.3 Ų | 54.3 | 8% | 0.079 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -128.4 | 29.5 | -173.9 | -54.5 | -78.7 | 0 | 0 | 0 | 113.9 | I140 S141 C142 L271 N275 E279 | I140-F277 HydrophobicContact CB-CD1 4.02Å; I140-F277 HydrophobicContact CB-CE1 4.17Å; I140-F277 HydrophobicContact CG2-CD1 3.64Å; I140-F277 HydrophobicContact CG2-CD2 4.32Å; I140-F277 HydrophobicContact CG2-CE1 3.82Å; I140-F277 HydrophobicContact CG2-CE2 4.47Å; I140-F277 HydrophobicContact CG2-CG 3.91Å; I140-F277 HydrophobicContact CG2-CZ 4.23Å; S141-F277 WeakPolarHBondContact CA-O 3.35Å; C142-F277 HydrophobicContact CB-CB 3.94Å; C142-F277 PolarHBondContact N-O 3.48Å; L271-F277 HydrophobicContact CD2-CE2 4.03Å; N275-F277 PolarHBondContact O-N 3.33Å; F277-E279 PolarHBondContact O-N 3.17Å; F277-E279 VanDerWaalsContact O-N 3.12Å |
| 278 | D | 56.5 | Low | 70.4 | Confident | 109 Ų | 109 | 57.8 Ų | 57.8 | 58% | 0.583 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -57.5 | -24.6 | -179.7 | -81.4 | -19.4 | 0 | 0 | 0 | 113.7 | N275 | N275-D278 WeakPolarHBondContact CA-OD2 3.31Å; N275-D278 WeakPolarHBondContact CB-OD2 3.43Å |
| 279 | E | 61.2 | Low | 69.5 | Low | 150 Ų | 150 | 56 Ų | 56 | 70% | 0.701 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -112.5 | 142.6 | 170.5 | -66.8 | -176.1 | 165.2 | 0 | 0 | 110.1 | F277 K281 | F277-E279 PolarHBondContact O-N 3.17Å; F277-E279 VanDerWaalsContact O-N 3.12Å; E279-K281 WeakPolarHBondContact O-CG 3.47Å; E279-K281 PolarHBondContact O-N 3.36Å |
| 280 | S | 63.5 | Low | 68.6 | Low | 81 Ų | 81 | 58.9 Ų | 58.9 | 57% | 0.566 | 30% | 0.302 | S | S | * | . | trans | -59.8 | 98 | 174.4 | 56.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 281 | K | 72.3 | Confident | 67.5 | Low | 105 Ų | 105 | 60.6 Ų | 60.6 | 46% | 0.457 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 112.5 | -178.5 | -76.5 | 171.6 | -170.4 | 168.5 | 0 | 109.2 | I140 Q276 E279 | I140-K281 PolarHBondContact N-O 3.43Å; I140-K281 PolarHBondContact O-N 3.24Å; Q276-K281 PolarHBondContact O-NZ 3.18Å; E279-K281 WeakPolarHBondContact O-CG 3.47Å; E279-K281 PolarHBondContact O-N 3.36Å |
| 282 | L | 83.7 | Confident | 66.1 | Low | 86 Ų | 86 | 68.9 Ų | 68.9 | 45% | 0.45 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 121.4 | 168.7 | -170.5 | 133.5 | 0 | 0 | 0 | 108.9 | V163 | V163-L282 HydrophobicContact CG1-CD1 4.34Å; V163-L282 HydrophobicContact CG2-CD1 4.02Å |
| 283 | A | 84.2 | Confident | 65.7 | Low | 8 Ų | 8 | 69.6 Ų | 69.6 | 7% | 0.066 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 145.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L138 Y285 I831 | L138-A283 PolarHBondContact N-O 3.22Å; L138-A283 PolarHBondContact O-N 3.12Å; A283-Y285 HydrophobicContact CB-CE2 3.77Å; A283-Y285 VanDerWaalsContact O-CD2 3.3Å; A283-Y285 WeakPolarHBondContact O-CD2 3.1Å; A283-Y285 WeakPolarHBondContact O-CE2 3.22Å; A283-I831 HydrophobicContact CB-CD1 3.64Å; A283-I831 HydrophobicContact CB-CG1 4.44Å |
| 284 | W | 86.9 | Confident | 64.8 | Low | 28 Ų | 28 | 68.9 Ų | 68.9 | 11% | 0.106 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 137.3 | 169 | -71.3 | 82.5 | 0 | 0 | 0 | 109.6 | K135 V136 C137 D164 C166 G825 S826 K827 P830 I831 | K135-W284 HydrophobicContact CB-CE3 3.66Å; K135-W284 HydrophobicContact CB-CZ3 3.96Å; V136-W284 CarbonylContact O-C 3.58Å; C137-W284 HydrophobicContact CB-CD2 3.8Å; C137-W284 HydrophobicContact CB-CE3 3.9Å; C137-W284 HydrophobicContact CB-CG 4.41Å; C137-W284 HydrophobicContact CB-CH2 4.03Å; C137-W284 HydrophobicContact CB-CZ2 3.9Å; C137-W284 HydrophobicContact CB-CZ3 4.02Å; D164-W284 HydrophobicContact CB-CH2 4.01Å; D164-W284 HydrophobicContact CB-CZ2 4.48Å; C166-W284 VanDerWaalsContact SG-CZ3 3.57Å; W284-G825 PolarHBondContact N-O 3.04Å; W284-S826 WeakPolarHBondContact CB-O 3.29Å; W284-K827 VanDerWaalsContact CD1-N 3.27Å; W284-K827 HydrophobicContact CD2-CB 4.03Å; W284-K827 HydrophobicContact CD2-CG 4.03Å; W284-K827 HydrophobicContact CE3-CG 4.35Å; W284-K827 HydrophobicContact CG-CB 4.13Å; W284-K827 HydrophobicContact CH2-CD 4.15Å; W284-K827 HydrophobicContact CH2-CG 4.26Å; W284-K827 HydrophobicContact CZ2-CB 4.26Å; W284-K827 HydrophobicContact CZ2-CD 3.83Å; W284-K827 HydrophobicContact CZ2-CG 3.94Å; W284-K827 HydrophobicContact CZ3-CG 4.46Å; W284-P830 HydrophobicContact CB-CB 3.91Å; W284-P830 HydrophobicContact CB-CG 4.27Å; W284-P830 CarbonylContact O-C 3.5Å; W284-P830 VanDerWaalsContact O-CA 3.27Å; W284-P830 WeakPolarHBondContact O-CA 3.48Å; W284-I831 PolarHBondContact O-N 3.17Å |
| 285 | Y | 84.6 | Confident | 64 | Low | 15 Ų | 15 | 75.7 Ų | 75.7 | 6% | 0.059 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 138.2 | 176.1 | -64.1 | -93.9 | 0 | 0 | 0 | 109.3 | K135 V136 L138 V267 L269 A283 I831 | K135-Y285 WeakPolarHBondContact CA-O 3.41Å; V136-Y285 PolarHBondContact N-O 3.04Å; V136-Y285 PolarHBondContact O-N 2.79Å; L138-Y285 HydrophobicContact CB-CD2 3.92Å; L138-Y285 HydrophobicContact CB-CE2 3.78Å; L138-Y285 HydrophobicContact CD1-CD2 3.73Å; L138-Y285 HydrophobicContact CD1-CE2 4.03Å; L138-Y285 HydrophobicContact CD1-CG 4.3Å; L138-Y285 HydrophobicContact CG-CD2 3.86Å; L138-Y285 HydrophobicContact CG-CE2 4.2Å; V267-Y285 HydrophobicContact CG1-CD1 3.7Å; V267-Y285 HydrophobicContact CG1-CE1 4.47Å; V267-Y285 HydrophobicContact CG1-CG 3.89Å; V267-Y285 HydrophobicContact CG2-CG 4.5Å; L269-Y285 HydrophobicContact CD1-CE1 3.93Å; L269-Y285 HydrophobicContact CD2-CD1 3.88Å; L269-Y285 HydrophobicContact CD2-CE1 3.36Å; L269-Y285 HydrophobicContact CG-CE1 4.27Å; A283-Y285 HydrophobicContact CB-CE2 3.77Å; A283-Y285 VanDerWaalsContact O-CD2 3.3Å; A283-Y285 WeakPolarHBondContact O-CD2 3.1Å; A283-Y285 WeakPolarHBondContact O-CE2 3.22Å; Y285-I831 WeakPolarHBondContact CA-O 3.15Å; Y285-I831 HydrophobicContact CD1-CB 3.63Å; Y285-I831 HydrophobicContact CD1-CD1 4.38Å; Y285-I831 HydrophobicContact CD1-CG1 4.49Å; Y285-I831 HydrophobicContact CD1-CG2 3.82Å; Y285-I831 HydrophobicContact CE1-CB 3.77Å; Y285-I831 HydrophobicContact CE1-CD1 3.69Å; Y285-I831 HydrophobicContact CE1-CG1 4.26Å; Y285-I831 HydrophobicContact CE1-CG2 3.75Å; Y285-I831 HydrophobicContact CG-CB 4.36Å |
| 286 | Y | 76.6 | Confident | 62.9 | Low | 49 Ų | 49 | 80.7 Ų | 80.7 | 19% | 0.192 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 134.3 | 169.8 | -92.7 | -65.8 | 0 | 0 | 0 | 110.8 | K135 K288 P830 I831 D833 | K135-Y286 HydrophobicContact CD-CE1 4.28Å; K135-Y286 WeakPolarHBondContact CE-OH 3.37Å; K135-Y286 HydrophobicContact CG-CD1 4.03Å; K135-Y286 HydrophobicContact CG-CE1 3.81Å; Y286-K288 PolarHBondContact O-N 3.21Å; Y286-P830 HydrophobicContact CD1-CG 4.47Å; Y286-P830 HydrophobicContact CD2-CB 3.44Å; Y286-P830 VanDerWaalsContact CD2-CB 3.44Å; Y286-P830 HydrophobicContact CD2-CG 3.55Å; Y286-P830 HydrophobicContact CE1-CG 4.26Å; Y286-P830 HydrophobicContact CE2-CB 3.77Å; Y286-P830 HydrophobicContact CE2-CG 3.31Å; Y286-P830 HydrophobicContact CG-CB 3.98Å; Y286-P830 HydrophobicContact CG-CG 4.14Å; Y286-I831 PolarHBondContact N-O 2.74Å; Y286-D833 HydrophobicContact CD2-CB 3.67Å; Y286-D833 HydrophobicContact CE2-CB 3.56Å; Y286-D833 WeakPolarHBondContact CE2-OD2 3.49Å |
| 287 | L | 76.2 | Confident | 61.6 | Low | 0 Ų | 0 | 82.5 Ų | 82.5 | 0% | 0 | 41% | 0.412 | C | S | . | . | trans | -75.4 | 114.2 | 175.8 | -65.7 | 179.3 | 0 | 0 | 0 | 110.7 | R66 G134 V136 L168 V251 H264 V267 | R66-L287 PolarHBondContact NH1-O 2.94Å; R66-L287 PolarHBondContact NH2-O 2.87Å; G134-L287 VanDerWaalsContact O-CB 3.27Å; G134-L287 WeakPolarHBondContact O-CB 3.41Å; G134-L287 WeakPolarHBondContact O-CG 3.2Å; G134-L287 PolarHBondContact O-N 2.66Å; V136-L287 HydrophobicContact CB-CD2 4.02Å; V136-L287 HydrophobicContact CG1-CD2 3.58Å; V136-L287 HydrophobicContact CG1-CG 4.34Å; L168-L287 HydrophobicContact CD2-CD1 4.02Å; V251-L287 HydrophobicContact CB-CD1 4.03Å; V251-L287 HydrophobicContact CB-CD2 4.27Å; V251-L287 HydrophobicContact CG1-CD1 4.41Å; V251-L287 HydrophobicContact CG2-CD1 4Å; V251-L287 HydrophobicContact CG2-CD2 3.55Å; V251-L287 HydrophobicContact CG2-CG 4.47Å; H264-L287 HydrophobicContact CB-CD1 4.2Å; H264-L287 VanDerWaalsContact O-CD1 3.27Å; H264-L287 WeakPolarHBondContact O-CD1 3.31Å; V267-L287 HydrophobicContact CG2-CD2 3.92Å | ||
| 288 | K | 68.9 | Low | 60.1 | Low | 81 Ų | 81 | 87 Ų | 87 | 35% | 0.352 | 45% | 0.446 | S | S | . | . | B | Isolated β-bridge | trans | -88.8 | 156.4 | 179.2 | -63.9 | -171.7 | 176.7 | -167 | 0 | 111.4 | G265 E266 Y286 | G265-K288 CarbonylContact C-O 3.43Å; G265-K288 VanDerWaalsContact CA-O 3.28Å; G265-K288 WeakPolarHBondContact CA-O 3.37Å; E266-K288 PolarHBondContact N-O 3.15Å; E266-K288 WeakPolarHBondContact O-CB 3.17Å; E266-K288 PolarHBondContact O-N 3.46Å; Y286-K288 PolarHBondContact O-N 3.21Å |
| 289 | P | 63.9 | Low | 58.9 | Low | 44 Ų | 44 | 94 Ų | 94 | 29% | 0.286 | 46% | 0.464 | S | S | . | . | P | Polyproline II helix | trans | -65.2 | 160.5 | 171.5 | -9.5 | 26.2 | 0 | 0 | 0 | 110.5 | L291 | P289-L291 PolarHBondContact O-N 3.35Š|
| 290 | R | 64.8 | Low | 57.5 | Low | 81 Ų | 81 | 91.7 Ų | 91.7 | 31% | 0.306 | 47% | 0.471 | S | S | . | . | P | Polyproline II helix | trans | -65.9 | 130.7 | 174.4 | -62.3 | -168.9 | -176.6 | 164.3 | 11.5 | 111.4 | W252 F263 | W252-R290 VanDerWaalsContact CZ3-NH2 3.31Å; F263-R290 HydrophobicContact CD1-CG 4.24Å; F263-R290 HydrophobicContact CE1-CG 3.41Å; F263-R290 VanDerWaalsContact CE1-CG 3.41Å; F263-R290 HydrophobicContact CE2-CG 4.1Å; F263-R290 HydrophobicContact CZ-CG 3.27Å |
| 291 | L | 56.8 | Low | 56 | Low | 96 Ų | 96 | 97.2 Ų | 97.2 | 50% | 0.503 | 49% | 0.488 | S | S | . | . | P | Polyproline II helix | trans | -76.7 | 121.7 | 165.5 | -67.8 | 153.1 | 0 | 0 | 0 | 109.2 | P289 G293 | P289-L291 PolarHBondContact O-N 3.35Å; L291-G293 PolarHBondContact O-N 2.68Å |
| 292 | R | 47.2 | Very low | 53.8 | Low | 185 Ų | 185 | 96.3 Ų | 96.3 | 70% | 0.698 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | 125.4 | 173.7 | -74 | -172.4 | 179 | -164.3 | -0.3 | 109.4 | ||
| 293 | G | 47.1 | Very low | 51.2 | Low | 71 Ų | 71 | 95.8 Ų | 95.8 | 73% | 0.732 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 147.3 | -21.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | L291 E295 | L291-G293 PolarHBondContact O-N 2.68Å; G293-E295 PolarHBondContact O-N 2.83Å |
| 294 | S | 38.4 | Very low | 48.7 | Very low | 39 Ų | 39 | 104.7 Ų | 104.7 | 27% | 0.273 | 56% | 0.564 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -88.9 | 6.1 | -172 | -168.8 | 0 | 0 | 0 | 0 | 115.8 | R248 | R248-S294 PolarHBondContact NH1-OG 2.76Å; R248-S294 VanDerWaalsContact NH1-OG 3.1Å |
| 295 | E | 36.9 | Very low | 46 | Very low | 164 Ų | 164 | 111.8 Ų | 111.8 | 77% | 0.766 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.1 | 7.2 | -174.3 | -86.4 | 178.8 | -176.9 | 0 | 0 | 114.9 | G293 T297 | G293-E295 PolarHBondContact O-N 2.83Å; E295-T297 PolarHBondContact O-N 2.73Å |
| 296 | R | 31.9 | Very low | 43.5 | Very low | 211 Ų | 211 | 115.6 Ų | 115.6 | 80% | 0.796 | 63% | 0.627 | S | S | * | * | trans | -86.8 | 81.5 | 170.5 | -72.2 | -176.9 | 173 | -166.4 | -6.3 | 109.9 | ||||
| 297 | T | 29.2 | Very low | 41.1 | Very low | 112 Ų | 112 | 120 Ų | 120 | 69% | 0.687 | 66% | 0.659 | S | S | * | * | S | Bend | trans | 168.2 | 85.8 | 146 | 48.3 | 0 | 0 | 0 | 0 | 110.7 | E295 | E295-T297 PolarHBondContact O-N 2.73Š|
| 298 | S | 31.8 | Very low | 38.9 | Very low | 112 Ų | 112 | 130.9 Ų | 130.9 | 78% | 0.783 | 70% | 0.7 | S | S | * | * | S | Bend | trans | 176.2 | 100.3 | 145.8 | 41.7 | 0 | 0 | 0 | 0 | 108.1 | ||
| 299 | R | 30.6 | Very low | 36.9 | Very low | 255 Ų | 255 | 132.9 Ų | 132.9 | 96% | 0.962 | 72% | 0.719 | S | S | * | * | S | Bend | trans | 106.5 | 81.5 | 176.8 | -61.8 | 167.1 | 173.4 | 178 | -0.7 | 115.1 | ||
| 300 | A | 32.9 | Very low | 35.6 | Very low | 102 Ų | 102 | 137.2 Ų | 137.2 | 84% | 0.843 | 75% | 0.745 | S | S | * | * | trans | -177.6 | 103.3 | 133.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 301 | Q | 30.8 | Very low | 34.4 | Very low | 198 Ų | 198 | 139.4 Ų | 139.4 | 93% | 0.925 | 76% | 0.763 | S | S | * | * | trans | -68.6 | 137.7 | 161.4 | -70.9 | 171.2 | -23.5 | 0 | 0 | 108.6 | ||||
| 302 | G | 26.5 | Very low | 34.2 | Very low | 86 Ų | 86 | 139.8 Ų | 139.8 | 89% | 0.887 | 77% | 0.769 | S | S | * | * | trans | 70 | 109.3 | 154.2 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 303 | G | 29.9 | Very low | 35.1 | Very low | 75 Ų | 75 | 134.7 Ų | 134.7 | 77% | 0.773 | 75% | 0.753 | S | S | * | * | trans | 156.5 | 116.9 | 163.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 304 | E | 31 | Very low | 36.7 | Very low | 195 Ų | 195 | 131.5 Ų | 131.5 | 91% | 0.911 | 72% | 0.72 | S | S | * | * | trans | -50.4 | 128.6 | -174.6 | -64.6 | 167 | 148.8 | 0 | 0 | 114.2 | S306 | E304-S306 PolarHBondContact O-N 2.93Š| ||
| 305 | E | 31.2 | Very low | 39 | Very low | 177 Ų | 177 | 130.8 Ų | 130.8 | 83% | 0.827 | 72% | 0.715 | S | S | * | * | trans | -70 | 91.6 | 170.6 | -83.6 | -178.6 | 147.3 | 0 | 0 | 110.2 | ||||
| 306 | S | 30.2 | Very low | 41.4 | Very low | 95 Ų | 95 | 123 Ų | 123 | 66% | 0.664 | 68% | 0.679 | S | S | * | * | trans | -76.5 | 122.3 | 159.3 | 48.5 | 0 | 0 | 0 | 0 | 109.6 | E304 R308 | E304-S306 PolarHBondContact O-N 2.93Å; S306-R308 PolarHBondContact O-N 3.09Å | ||
| 307 | T | 28 | Very low | 44.1 | Very low | 142 Ų | 142 | 115 Ų | 115 | 87% | 0.871 | 65% | 0.65 | S | S | * | * | trans | -53.7 | 98.4 | 173.3 | 44.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 308 | R | 28.2 | Very low | 46.9 | Very low | 227 Ų | 227 | 109.6 Ų | 109.6 | 86% | 0.857 | 62% | 0.617 | S | S | * | * | trans | -93.1 | 113.2 | 165.4 | -78.4 | -175.4 | 171.7 | 171.2 | -1.3 | 109.6 | S306 V310 | S306-R308 PolarHBondContact O-N 3.09Å; R308-V310 PolarHBondContact O-N 2.83Å | ||
| 309 | T | 27.8 | Very low | 49.4 | Very low | 123 Ų | 123 | 106.3 Ų | 106.3 | 76% | 0.755 | 59% | 0.589 | S | S | * | * | trans | -48.4 | 127.5 | 169.2 | 46 | 0 | 0 | 0 | 0 | 110.9 | D311 | T309-D311 PolarHBondContact O-N 2.9Å; T309-D311 VanDerWaalsContact O-N 3.11Å | ||
| 310 | V | 36.2 | Very low | 51.7 | Low | 135 Ų | 135 | 94.3 Ų | 94.3 | 82% | 0.818 | 54% | 0.544 | S | S | * | . | trans | -67.1 | 107.3 | 176.1 | 178.6 | 0 | 0 | 0 | 0 | 108.4 | R308 T312 | R308-V310 PolarHBondContact O-N 2.83Å; V310-T312 PolarHBondContact O-N 2.8Å | ||
| 311 | D | 40.9 | Very low | 53.7 | Low | 128 Ų | 128 | 93.7 Ų | 93.7 | 68% | 0.684 | 52% | 0.52 | S | S | * | . | trans | -57.4 | 106.3 | 172.5 | -73.8 | -33 | 0 | 0 | 0 | 109.5 | T309 H313 | T309-D311 PolarHBondContact O-N 2.9Å; T309-D311 VanDerWaalsContact O-N 3.11Å; D311-H313 PolarHBondContact O-CD2 3.01Å; D311-H313 PolarHBondContact O-N 2.77Å | ||
| 312 | T | 51.4 | Low | 55.6 | Low | 104 Ų | 104 | 85.7 Ų | 85.7 | 64% | 0.638 | 48% | 0.481 | S | S | * | . | trans | -72.3 | 114.2 | 177.8 | 46.7 | 0 | 0 | 0 | 0 | 110 | V310 G314 | V310-T312 PolarHBondContact O-N 2.8Å; T312-G314 PolarHBondContact O-N 3.07Å; T312-G314 VanDerWaalsContact O-N 3.09Å | ||
| 313 | H | 66.9 | Low | 57.5 | Low | 77 Ų | 77 | 83.2 Ų | 83.2 | 36% | 0.356 | 45% | 0.449 | S | S | . | . | trans | -76.6 | 17 | 179.2 | -69.2 | -79.9 | 0 | 0 | 0 | 114.6 | L106 D311 | L106-H313 HydrophobicContact CB-CB 4.36Å; L106-H313 WeakPolarHBondContact CD1-O 3.14Å; D311-H313 PolarHBondContact O-CD2 3.01Å; D311-H313 PolarHBondContact O-N 2.77Å | ||
| 314 | G | 80.8 | Confident | 59.1 | Low | 5 Ų | 5 | 80.6 Ų | 80.6 | 5% | 0.052 | 42% | 0.418 | C | S | . | . | trans | 90.4 | -178.1 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | R13 G14 L106 T312 | R13-G314 CarbonylContact O-C 3.58Å; R13-G314 WeakPolarHBondContact O-CA 3.34Å; G14-G314 WeakPolarHBondContact O-CA 3.26Å; L106-G314 WeakPolarHBondContact CB-O 3.43Å; L106-G314 PolarHBondContact N-O 2.61Å; T312-G314 PolarHBondContact O-N 3.07Å; T312-G314 VanDerWaalsContact O-N 3.09Å | ||
| 315 | S | 86 | Confident | 60.8 | Low | 23 Ų | 23 | 72.4 Ų | 72.4 | 16% | 0.161 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 152 | -177.4 | -47.8 | 0 | 0 | 0 | 0 | 111.2 | A12 R13 F104 N105 | A12-S315 CarbonylContact C-O 3.49Å; A12-S315 VanDerWaalsContact CA-O 3.22Å; A12-S315 WeakPolarHBondContact CA-O 3.42Å; R13-S315 PolarHBondContact N-O 2.88Å; R13-S315 PolarHBondContact O-N 3.41Å; F104-S315 CarbonylContact O-C 3.56Å; F104-S315 WeakPolarHBondContact O-CA 3.46Å; F104-S315 WeakPolarHBondContact O-CB 3.36Å; N105-S315 PolarHBondContact OD1-OG 2.78Å |
| 316 | L | 86.9 | Confident | 62.7 | Low | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 138.2 | 173.3 | -68.2 | 179.8 | 0 | 0 | 0 | 110.8 | L9 A12 F70 L72 V87 W103 F104 L106 L318 | L9-L316 HydrophobicContact CD1-CB 4.48Å; L9-L316 HydrophobicContact CD1-CD2 4.16Å; A12-L316 HydrophobicContact CB-CD2 3.53Å; F70-L316 HydrophobicContact CB-CD1 4.06Å; L72-L316 HydrophobicContact CD1-CD2 4.26Å; L72-L316 HydrophobicContact CD2-CD2 4.36Å; V87-L316 HydrophobicContact CG2-CB 4.31Å; V87-L316 HydrophobicContact CG2-CD1 3.98Å; V87-L316 HydrophobicContact CG2-CG 4.35Å; W103-L316 CarbonylContact C-O 3.42Å; W103-L316 WeakPolarHBondContact CA-O 3.46Å; F104-L316 PolarHBondContact N-O 3.3Å; F104-L316 PolarHBondContact O-N 3.26Å; L106-L316 HydrophobicContact CD2-CD1 3.87Å; L106-L316 HydrophobicContact CD2-CG 3.87Å; L106-L316 HydrophobicContact CG-CG 4.26Å; L316-L318 HydrophobicContact CB-CD1 4.46Å; L316-L318 HydrophobicContact CB-CG 4.26Å |
| 317 | K | 89.4 | Confident | 65 | Low | 43 Ų | 43 | 62.4 Ų | 62.4 | 19% | 0.187 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 113.5 | 171.2 | -169 | 178.6 | 177 | -161.9 | 0 | 109.9 | V10 E11 E101 R102 W103 | V10-K317 HydrophobicContact CB-CB 4.22Å; V10-K317 HydrophobicContact CB-CD 4.06Å; V10-K317 HydrophobicContact CB-CG 4.2Å; V10-K317 HydrophobicContact CG1-CD 4.2Å; V10-K317 HydrophobicContact CG2-CD 4.34Å; V10-K317 HydrophobicContact CG2-CG 4.34Å; V10-K317 PolarHBondContact N-O 3.23Å; V10-K317 VanDerWaalsContact N-O 3.09Å; E11-K317 HydrophobicContact CG-CB 4.13Å; E11-K317 HydrophobicContact CG-CD 4.41Å; E11-K317 PolarHBondContact O-N 2.93Å; E101-K317 WeakPolarHBondContact OE2-CE 3.23Å; E101-K317 IonicContact OE2-NZ 3.76Å; E101-K317 PolarHBondContact OE2-NZ 2.74Å; R102-K317 WeakPolarHBondContact O-CA 3.22Å; W103-K317 HydrophobicContact CD2-CB 3.97Å; W103-K317 HydrophobicContact CD2-CG 4.3Å; W103-K317 HydrophobicContact CE3-CB 3.8Å; W103-K317 HydrophobicContact CH2-CB 3.91Å; W103-K317 HydrophobicContact CH2-CD 4.48Å; W103-K317 HydrophobicContact CZ2-CB 4.06Å; W103-K317 HydrophobicContact CZ2-CD 3.91Å; W103-K317 HydrophobicContact CZ2-CG 4.36Å; W103-K317 HydrophobicContact CZ3-CB 3.77Å |
| 318 | L | 87 | Confident | 67.5 | Low | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 143.3 | -175.1 | -61.3 | 170.5 | 0 | 0 | 0 | 110.7 | I8 L9 F70 V87 F89 R102 F104 L316 | I8-L318 CarbonylContact O-C 3.5Å; I8-L318 WeakPolarHBondContact O-CA 3.26Å; L9-L318 HydrophobicContact CB-CD2 3.94Å; L9-L318 HydrophobicContact CD1-CD2 3.47Å; L9-L318 VanDerWaalsContact CD1-CD2 3.47Å; L9-L318 HydrophobicContact CD1-CG 4.46Å; L9-L318 HydrophobicContact CG-CD2 4.28Å; F70-L318 HydrophobicContact CD1-CD1 4.49Å; F70-L318 HydrophobicContact CD1-CD2 4.03Å; F70-L318 HydrophobicContact CD2-CD1 3.75Å; F70-L318 HydrophobicContact CE1-CD2 4.08Å; F70-L318 HydrophobicContact CE2-CD1 4Å; F70-L318 HydrophobicContact CG-CD1 4.02Å; F70-L318 HydrophobicContact CG-CD2 4.34Å; F70-L318 HydrophobicContact CZ-CD1 4.49Å; F70-L318 HydrophobicContact CZ-CD2 4.4Å; V87-L318 HydrophobicContact CB-CD1 4.48Å; V87-L318 HydrophobicContact CG1-CD1 4.26Å; F89-L318 HydrophobicContact CE2-CD1 3.68Å; F89-L318 HydrophobicContact CZ-CD1 3.95Å; R102-L318 PolarHBondContact N-O 2.93Å; R102-L318 PolarHBondContact O-N 2.8Å; F104-L318 HydrophobicContact CD2-CB 3.88Å; F104-L318 HydrophobicContact CD2-CD1 4Å; F104-L318 HydrophobicContact CD2-CG 4.21Å; F104-L318 HydrophobicContact CE2-CB 3.87Å; L316-L318 HydrophobicContact CB-CD1 4.46Å; L316-L318 HydrophobicContact CB-CG 4.26Å |
| 319 | Q | 84.2 | Confident | 70.1 | Confident | 43 Ų | 43 | 49.8 Ų | 49.8 | 20% | 0.201 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 126.9 | 161.3 | -172.3 | 178.2 | 25.4 | 0 | 0 | 107.6 | W7 I8 D99 E101 | W7-Q319 CarbonylContact C-O 3.58Å; W7-Q319 WeakPolarHBondContact CA-O 3.44Å; I8-Q319 HydrophobicContact CB-CB 4.16Å; I8-Q319 VanDerWaalsContact CD1-OE1 3.3Å; I8-Q319 PolarHBondContact N-O 2.85Å; I8-Q319 PolarHBondContact O-N 3.05Å; D99-Q319 PolarHBondContact O-NE2 2.78Å; E101-Q319 HydrophobicContact CG-CB 3.9Å; E101-Q319 HydrophobicContact CG-CG 4.32Å |
| 320 | L | 80.1 | Confident | 72.6 | Confident | 2 Ų | 2 | 46.9 Ų | 46.9 | 1% | 0.01 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 148.3 | -178.8 | -54.1 | 175.5 | 0 | 0 | 0 | 109.1 | F5 R6 W7 L68 F70 F89 I94 S98 D99 | F5-L320 HydrophobicContact CE1-CD2 4.39Å; F5-L320 HydrophobicContact CZ-CB 4.35Å; F5-L320 HydrophobicContact CZ-CD2 4.12Å; R6-L320 CarbonylContact O-C 3.56Å; W7-L320 HydrophobicContact CB-CD2 3.65Å; L68-L320 HydrophobicContact CD2-CD2 4.36Å; F70-L320 HydrophobicContact CE2-CD2 3.88Å; F70-L320 HydrophobicContact CZ-CD2 3.65Å; F89-L320 HydrophobicContact CD1-CD1 3.78Å; F89-L320 HydrophobicContact CD2-CD1 3.66Å; F89-L320 HydrophobicContact CE1-CD1 3.71Å; F89-L320 HydrophobicContact CE2-CD1 3.6Å; F89-L320 HydrophobicContact CG-CD1 3.76Å; F89-L320 HydrophobicContact CZ-CD1 3.62Å; I94-L320 HydrophobicContact CG2-CB 4.01Å; I94-L320 HydrophobicContact CG2-CD1 4.35Å; S98-L320 CarbonylContact C-O 3.52Å; S98-L320 VanDerWaalsContact CA-O 3.23Å; S98-L320 WeakPolarHBondContact CA-O 3.31Å; D99-L320 PolarHBondContact N-O 2.78Å |
| 321 | R | 73.8 | Confident | 75 | Confident | 90 Ų | 90 | 44.1 Ų | 44.1 | 34% | 0.34 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 126 | 169.3 | -176 | -170.3 | -178.4 | 123.7 | -5.9 | 108.1 | R6 D99 | R6-R321 HydrophobicContact CB-CB 4.29Å; R6-R321 PolarHBondContact N-O 2.83Å; R6-R321 PolarHBondContact O-N 2.78Å; R6-R321 VanDerWaalsContact O-O 3.06Å; D99-R321 VanDerWaalsContact OD1-CD 3.26Å; D99-R321 WeakPolarHBondContact OD1-CD 3.04Å; D99-R321 IonicContact OD1-CZ 2.88Å; D99-R321 IonicContact OD1-NE 3.67Å; D99-R321 IonicContact OD1-NH1 3.4Å; D99-R321 PolarHBondContact OD1-NH1 2.78Å; D99-R321 IonicContact OD2-NH1 2.76Å |
| 322 | Y | 71.6 | Confident | 77.3 | Confident | 29 Ų | 29 | 41 Ų | 41 | 11% | 0.114 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 121.8 | 177.9 | 176.2 | -122.4 | 0 | 0 | 0 | 109.4 | F3 I4 F5 F65 K91 V324 | F3-Y322 HydrophobicContact CB-CE2 4.11Å; F3-Y322 HydrophobicContact CD1-CE2 4.27Å; F3-Y322 AromaticContact CD1-CZ 3.88Å; F3-Y322 WeakPolarHBondContact CD1-OH 3.15Å; F3-Y322 WeakPolarHBondContact CE1-OH 3.29Å; I4-Y322 WeakPolarHBondContact O-CD2 3.36Å; F5-Y322 HydrophobicContact CB-CD2 4.41Å; F5-Y322 AromaticContact CD2-CD2 3.6Å; F5-Y322 HydrophobicContact CD2-CD2 3.6Å; F5-Y322 HydrophobicContact CD2-CG 4.05Å; F5-Y322 HydrophobicContact CE2-CD2 4.36Å; F5-Y322 HydrophobicContact CE2-CG 4.4Å; F5-Y322 HydrophobicContact CG-CD2 4.49Å; F65-Y322 HydrophobicContact CE1-CD2 4.28Å; F65-Y322 AromaticContact CE1-CE2 3.63Å; F65-Y322 HydrophobicContact CE1-CE2 3.63Å; F65-Y322 AromaticContact CE1-CZ 3.89Å; F65-Y322 HydrophobicContact CZ-CD2 4.3Å; F65-Y322 HydrophobicContact CZ-CE2 4.06Å; K91-Y322 HydrophobicContact CD-CE1 4.25Å; K91-Y322 WeakPolarHBondContact CE-OH 3.35Å; K91-Y322 HydrophobicContact CG-CE1 3.93Å; K91-Y322 PolarHBondContact NZ-OH 3.33Å; Y322-V324 HydrophobicContact CE1-CG2 3.85Å |
| 323 | T | 65.2 | Low | 79.2 | Confident | 34 Ų | 34 | 36 Ų | 36 | 21% | 0.209 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 145.3 | 175.2 | 54.8 | 0 | 0 | 0 | 0 | 109.6 | I4 | I4-T323 WeakPolarHBondContact CB-OG1 3.47Å; I4-T323 PolarHBondContact N-O 2.84Å; I4-T323 PolarHBondContact O-N 3.23Å |
| 324 | V | 65.4 | Low | 80.3 | Confident | 21 Ų | 21 | 36.7 Ų | 36.7 | 13% | 0.127 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 122.1 | 170.2 | -174.1 | 0 | 0 | 0 | 0 | 105.9 | M1 F3 Y322 R842 | M1-V324 HydrophobicContact CB-CG1 4.48Å; M1-V324 HydrophobicContact SD-CG1 4.33Å; F3-V324 HydrophobicContact CD1-CB 4.2Å; F3-V324 HydrophobicContact CD1-CG1 3.73Å; F3-V324 HydrophobicContact CD1-CG2 3.74Å; F3-V324 HydrophobicContact CE1-CB 4.43Å; F3-V324 HydrophobicContact CE1-CG1 3.68Å; F3-V324 HydrophobicContact CE1-CG2 3.97Å; Y322-V324 HydrophobicContact CE1-CG2 3.85Å; V324-R842 VanDerWaalsContact O-CZ 3.25Å; V324-R842 PolarHBondContact O-NH1 3.05Å; V324-R842 PolarHBondContact O-NH2 3.33Å |
| 325 | D | 66.5 | Low | 80.9 | Confident | 23 Ų | 23 | 40.4 Ų | 40.4 | 12% | 0.123 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 134.9 | 179.9 | -60.9 | -25.2 | 0 | 0 | 0 | 108.9 | M1 L2 I4 | M1-D325 CarbonylContact C-O 3.07Å; M1-D325 WeakPolarHBondContact CA-O 3.25Å; L2-D325 PolarHBondContact N-O 2.91Å; L2-D325 PolarHBondContact O-N 2.87Å; I4-D325 WeakPolarHBondContact CD1-OD2 3.44Å |
| 326 | H | 70 | Confident | 81.3 | Confident | 28 Ų | 28 | 39.3 Ų | 39.3 | 13% | 0.13 | 21% | 0.212 | C | C | . | . | trans | -98.5 | 113.2 | 177 | -65 | -80.1 | 0 | 0 | 0 | 106 | H811 L839 | H326-H811 PolarHBondContact O-CE1 2.98Å; H326-L839 WeakPolarHBondContact CE1-CD1 3.46Å | ||
| 327 | V | 78.4 | Confident | 81.6 | Confident | 34 Ų | 34 | 41.8 Ų | 41.8 | 21% | 0.206 | 22% | 0.222 | C | C | . | . | P | Polyproline II helix | trans | -103 | 124 | 175.4 | -175.3 | 0 | 0 | 0 | 0 | 106.4 | L2 Y333 E743 Q744 E747 | L2-V327 HydrophobicContact CB-CG2 4.47Å; V327-Y333 HydrophobicContact CG1-CE2 4.08Å; V327-E743 HydrophobicContact CG1-CB 3.5Å; V327-E743 VanDerWaalsContact CG1-CB 3.5Å; V327-Q744 HydrophobicContact CG2-CB 4.45Å; V327-E747 HydrophobicContact CG1-CB 4.45Å; V327-E747 HydrophobicContact CG2-CB 4.25Å; V327-E747 HydrophobicContact CG2-CG 4.25Å |
| 328 | L | 81.6 | Confident | 81.8 | Confident | 18 Ų | 18 | 43.9 Ų | 43.9 | 9% | 0.094 | 24% | 0.238 | C | C | . | . | P | Polyproline II helix | trans | -74.6 | 166.7 | 174.8 | -61.2 | 176.4 | 0 | 0 | 0 | 109.9 | H332 Y333 K810 H811 A814 | L328-H332 HydrophobicContact CB-CB 3.95Å; L328-H332 HydrophobicContact CD1-CB 3.83Å; L328-Y333 HydrophobicContact CB-CE2 3.89Å; L328-Y333 PolarHBondContact N-OH 3.1Å; L328-Y333 VanDerWaalsContact O-CE2 3.31Å; L328-Y333 WeakPolarHBondContact O-CE2 3.44Å; L328-K810 HydrophobicContact CD1-CB 4.09Å; L328-H811 VanDerWaalsContact CG-CE1 3.42Å; L328-H811 WeakPolarHBondContact CG-CE1 3.25Å; L328-A814 HydrophobicContact CD2-CB 3.72Å |
| 329 | C | 82 | Confident | 82.2 | Confident | 86 Ų | 86 | 44.8 Ų | 44.8 | 58% | 0.581 | 24% | 0.243 | S | C | * | . | P | Polyproline II helix | trans | -65.5 | 146.5 | 170.9 | -56.6 | 0 | 0 | 0 | 0 | 110.5 | S331 H332 | C329-S331 PolarHBondContact O-N 2.95Å; C329-H332 PolarHBondContact O-N 2.76Å; C329-H332 PolarHBondContact O-ND1 3.45Å |
| 330 | S | 81 | Confident | 82.7 | Confident | 62 Ų | 62 | 42.8 Ų | 42.8 | 43% | 0.434 | 23% | 0.233 | S | C | . | . | G | 310 helix | trans | -35.4 | -43.3 | 179.2 | -73.3 | 0 | 0 | 0 | 0 | 115.5 | H332 Y333 E743 | S330-H332 PolarHBondContact O-N 3.29Å; S330-H332 VanDerWaalsContact O-N 3.08Å; S330-Y333 PolarHBondContact O-N 3.46Å; S330-E743 WeakPolarHBondContact CA-OE1 2.98Å; S330-E743 WeakPolarHBondContact CB-OE1 3.49Å; S330-E743 PolarHBondContact N-OE1 3.04Å; S330-E743 WeakPolarHBondContact OG-CG 3.41Å; S330-E743 PolarHBondContact OG-OE1 2.9Å |
| 331 | S | 86.3 | Confident | 83.4 | Confident | 77 Ų | 77 | 44.4 Ų | 44.4 | 54% | 0.538 | 24% | 0.242 | S | C | . | . | G | 310 helix | trans | -55.6 | -29.6 | -176.8 | 57.2 | 0 | 0 | 0 | 0 | 114.2 | C329 N334 | C329-S331 PolarHBondContact O-N 2.95Å; S331-N334 PolarHBondContact O-ND2 3.36Å |
| 332 | H | 88.1 | Confident | 84.4 | Confident | 61 Ų | 61 | 45.6 Ų | 45.6 | 28% | 0.282 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | -73.5 | -32.4 | -179.2 | -60.6 | 85.8 | 0 | 0 | 0 | 111.9 | L328 C329 S330 N334 L807 K810 | L328-H332 HydrophobicContact CB-CB 3.95Å; L328-H332 HydrophobicContact CD1-CB 3.83Å; C329-H332 PolarHBondContact O-N 2.76Å; C329-H332 PolarHBondContact O-ND1 3.45Å; S330-H332 PolarHBondContact O-N 3.29Å; S330-H332 VanDerWaalsContact O-N 3.08Å; H332-N334 VanDerWaalsContact C-N 3.33Å; H332-N334 PolarHBondContact O-N 3.3Å; H332-L807 HydrophobicContact CB-CD2 4.48Å; H332-L807 WeakPolarHBondContact O-CD2 3.36Å; H332-K810 HydrophobicContact CB-CD 4.28Å |
| 333 | Y | 91.8 | Very high | 85.5 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -84 | -2.2 | -176.2 | -60.6 | -71.3 | 0 | 0 | 0 | 114.3 | V327 L328 S330 E335 L336 W337 E743 L746 E747 L807 | V327-Y333 HydrophobicContact CG1-CE2 4.08Å; L328-Y333 HydrophobicContact CB-CE2 3.89Å; L328-Y333 PolarHBondContact N-OH 3.1Å; L328-Y333 VanDerWaalsContact O-CE2 3.31Å; L328-Y333 WeakPolarHBondContact O-CE2 3.44Å; S330-Y333 PolarHBondContact O-N 3.46Å; Y333-E335 VanDerWaalsContact C-N 3.26Å; Y333-E335 PolarHBondContact O-N 3.05Å; Y333-L336 PolarHBondContact O-N 2.81Å; Y333-L336 VanDerWaalsContact O-N 3.12Å; Y333-W337 WeakPolarHBondContact O-CB 3.28Å; Y333-W337 PolarHBondContact O-N 3.37Å; Y333-E743 HydrophobicContact CE2-CB 4.35Å; Y333-L746 HydrophobicContact CD1-CB 3.99Å; Y333-L746 HydrophobicContact CG-CB 3.96Å; Y333-L746 HydrophobicContact CG-CD1 4.39Å; Y333-E747 HydrophobicContact CE1-CB 4.24Å; Y333-E747 VanDerWaalsContact CE1-OE2 3.23Å; Y333-E747 WeakPolarHBondContact CE1-OE2 3.43Å; Y333-E747 VanDerWaalsContact CZ-OE2 3.28Å; Y333-E747 PolarHBondContact OH-OE2 3.22Å; Y333-L807 HydrophobicContact CD1-CD1 4.25Å; Y333-L807 HydrophobicContact CD1-CD2 4Å; Y333-L807 HydrophobicContact CE1-CD2 4.39Å |
| 334 | N | 91.3 | Very high | 86.8 | Confident | 91 Ų | 91 | 43.2 Ų | 43.2 | 49% | 0.487 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -55.3 | -37 | -178.1 | -76.3 | -17.2 | 0 | 0 | 0 | 113.7 | S331 H332 W337 T338 | S331-N334 PolarHBondContact O-ND2 3.36Å; H332-N334 VanDerWaalsContact C-N 3.33Å; H332-N334 PolarHBondContact O-N 3.3Å; N334-W337 PolarHBondContact O-N 2.68Å; N334-T338 WeakPolarHBondContact O-CB 3.42Å; N334-T338 PolarHBondContact O-N 3.38Å; N334-T338 PolarHBondContact O-OG1 3.3Å |
| 335 | E | 92 | Very high | 88.2 | Confident | 83 Ų | 83 | 48.2 Ų | 48.2 | 39% | 0.388 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -65.9 | -47 | 177.4 | -72.9 | 167.5 | -140.4 | 0 | 0 | 111.6 | Y333 W337 T338 L339 T806 K810 | Y333-E335 VanDerWaalsContact C-N 3.26Å; Y333-E335 PolarHBondContact O-N 3.05Å; E335-W337 VanDerWaalsContact C-N 3.31Å; E335-W337 PolarHBondContact O-N 3.08Å; E335-T338 PolarHBondContact O-N 2.77Å; E335-L339 WeakPolarHBondContact O-CB 3.49Å; E335-L339 PolarHBondContact O-N 3.49Å; E335-T806 WeakPolarHBondContact OE2-CG2 3.47Å; E335-K810 IonicContact OE1-NZ 2.7Å; E335-K810 PolarHBondContact OE1-NZ 3.17Å; E335-K810 IonicContact OE2-NZ 3.8Å |
| 336 | L | 94.8 | Very high | 89.4 | Confident | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.6 | -41.9 | 176.3 | 176.6 | 60.3 | 0 | 0 | 0 | 110.9 | Y333 L339 L340 L746 I749 H750 L753 C803 L807 | Y333-L336 PolarHBondContact O-N 2.81Å; Y333-L336 VanDerWaalsContact O-N 3.12Å; L336-L339 WeakPolarHBondContact O-CB 3.49Å; L336-L339 PolarHBondContact O-N 3.44Å; L336-L340 HydrophobicContact CD1-CD1 4.49Å; L336-L340 HydrophobicContact CD1-CG 4.41Å; L336-L340 HydrophobicContact CG-CD1 4.38Å; L336-L340 WeakPolarHBondContact O-CG 3.2Å; L336-L340 PolarHBondContact O-N 2.91Å; L336-L746 HydrophobicContact CD2-CB 4.46Å; L336-L746 HydrophobicContact CD2-CD2 4.32Å; L336-L746 WeakPolarHBondContact CD2-O 3.37Å; L336-L746 HydrophobicContact CG-CD2 4.31Å; L336-I749 HydrophobicContact CD1-CG2 4.28Å; L336-I749 HydrophobicContact CD2-CB 4.47Å; L336-I749 HydrophobicContact CD2-CG2 4.21Å; L336-H750 HydrophobicContact CD2-CB 3.97Å; L336-L753 HydrophobicContact CD1-CD1 3.78Å; L336-C803 WeakPolarHBondContact CA-SG 3.43Å; L336-C803 PolarHBondContact N-SG 2.7Å; L336-L807 HydrophobicContact CB-CD1 3.82Å; L336-L807 HydrophobicContact CD2-CD1 3.94Å; L336-L807 HydrophobicContact CG-CD1 4.46Å |
| 337 | W | 93.2 | Very high | 90.2 | Very high | 52 Ų | 52 | 52.9 Ų | 52.9 | 20% | 0.197 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.7 | -48.7 | 176.5 | 176.1 | -121 | 0 | 0 | 0 | 112 | Y333 N334 E335 L339 L340 L341 T375 F376 S379 L746 | Y333-W337 WeakPolarHBondContact O-CB 3.28Å; Y333-W337 PolarHBondContact O-N 3.37Å; N334-W337 PolarHBondContact O-N 2.68Å; E335-W337 VanDerWaalsContact C-N 3.31Å; E335-W337 PolarHBondContact O-N 3.08Å; W337-L339 VanDerWaalsContact C-N 3.31Å; W337-L339 PolarHBondContact O-N 3.18Å; W337-L340 PolarHBondContact O-N 3.24Å; W337-L341 HydrophobicContact CD2-CD1 4.36Å; W337-L341 HydrophobicContact CD2-CG 4.28Å; W337-L341 VanDerWaalsContact CE2-CD1 3.48Å; W337-L341 HydrophobicContact CH2-CD1 4.27Å; W337-L341 HydrophobicContact CH2-CD2 3.48Å; W337-L341 VanDerWaalsContact CH2-CD2 3.48Å; W337-L341 HydrophobicContact CH2-CG 3.7Å; W337-L341 HydrophobicContact CZ2-CD1 3.44Å; W337-L341 VanDerWaalsContact CZ2-CD1 3.44Å; W337-L341 HydrophobicContact CZ2-CD2 3.44Å; W337-L341 VanDerWaalsContact CZ2-CD2 3.44Å; W337-L341 HydrophobicContact CZ2-CG 3.4Å; W337-L341 HydrophobicContact CZ3-CD2 4.38Å; W337-L341 HydrophobicContact CZ3-CG 4.3Å; W337-L341 PolarHBondContact O-N 3.17Å; W337-T375 HydrophobicContact CE3-CG2 3.45Å; W337-T375 VanDerWaalsContact CE3-CG2 3.45Å; W337-T375 HydrophobicContact CH2-CG2 4.22Å; W337-T375 HydrophobicContact CZ3-CG2 3.21Å; W337-F376 HydrophobicContact CH2-CD1 4.39Å; W337-F376 HydrophobicContact CH2-CE1 4.49Å; W337-S379 WeakPolarHBondContact CH2-OG 3.43Å; W337-S379 WeakPolarHBondContact CZ2-OG 3.35Å; W337-L746 HydrophobicContact CB-CD1 4.42Å; W337-L746 HydrophobicContact CB-CD2 4.44Å; W337-L746 HydrophobicContact CE3-CD2 4.22Å |
| 338 | T | 94.2 | Very high | 90.7 | Very high | 86 Ų | 86 | 53.3 Ų | 53.3 | 53% | 0.528 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -62.1 | -39.5 | 177.3 | -56.1 | 0 | 0 | 0 | 0 | 111.4 | N334 E335 L341 H342 | N334-T338 WeakPolarHBondContact O-CB 3.42Å; N334-T338 PolarHBondContact O-N 3.38Å; N334-T338 PolarHBondContact O-OG1 3.3Å; E335-T338 PolarHBondContact O-N 2.77Å; T338-L341 PolarHBondContact O-N 3.32Å; T338-H342 VanDerWaalsContact O-CB 3.29Å; T338-H342 WeakPolarHBondContact O-CB 3.46Å; T338-H342 PolarHBondContact O-N 2.73Å |
| 339 | L | 94.7 | Very high | 91.2 | Very high | 20 Ų | 20 | 53 Ų | 53 | 11% | 0.105 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.2 | -44.4 | 176.7 | -176.4 | 63.1 | 0 | 0 | 0 | 112 | E335 L336 W337 H342 S343 V353 S799 I800 C803 | E335-L339 WeakPolarHBondContact O-CB 3.49Å; E335-L339 PolarHBondContact O-N 3.49Å; L336-L339 WeakPolarHBondContact O-CB 3.49Å; L336-L339 PolarHBondContact O-N 3.44Å; W337-L339 VanDerWaalsContact C-N 3.31Å; W337-L339 PolarHBondContact O-N 3.18Å; L339-H342 PolarHBondContact O-N 3.15Å; L339-S343 PolarHBondContact O-N 3.04Å; L339-S343 VanDerWaalsContact O-N 3.11Å; L339-V353 HydrophobicContact CD1-CG2 3.77Å; L339-V353 HydrophobicContact CD2-CG1 4.37Å; L339-V353 HydrophobicContact CD2-CG2 4.26Å; L339-V353 HydrophobicContact CG-CG1 4.35Å; L339-V353 HydrophobicContact CG-CG2 3.92Å; L339-S799 VanDerWaalsContact CD1-CB 3.46Å; L339-I800 HydrophobicContact CD2-CG1 4.45Å; L339-C803 HydrophobicContact CD2-CB 3.94Å |
| 340 | L | 95.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66 | -40.7 | 177.2 | -67.2 | 172 | 0 | 0 | 0 | 112.1 | L336 W337 S343 L354 I357 L372 F376 L746 I749 | L336-L340 HydrophobicContact CD1-CD1 4.49Å; L336-L340 HydrophobicContact CD1-CG 4.41Å; L336-L340 HydrophobicContact CG-CD1 4.38Å; L336-L340 WeakPolarHBondContact O-CG 3.2Å; L336-L340 PolarHBondContact O-N 2.91Å; W337-L340 PolarHBondContact O-N 3.24Å; L340-S343 VanDerWaalsContact O-CB 3.25Å; L340-S343 WeakPolarHBondContact O-CB 3.49Å; L340-S343 PolarHBondContact O-N 2.89Å; L340-L354 HydrophobicContact CD2-CD2 3.91Å; L340-I357 HydrophobicContact CD2-CD1 4.36Å; L340-L372 HydrophobicContact CD1-CD2 4.4Å; L340-L372 HydrophobicContact CD2-CD2 4Å; L340-F376 HydrophobicContact CB-CZ 4.21Å; L340-L746 HydrophobicContact CD1-CD2 4.04Å; L340-I749 HydrophobicContact CD1-CD1 3.95Å; L340-I749 HydrophobicContact CD1-CG2 4.39Å |
| 341 | L | 94.5 | Very high | 91.9 | Very high | 37 Ų | 37 | 48.2 Ų | 48.2 | 19% | 0.194 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65 | -44.5 | 174.5 | -76.8 | -178.5 | 0 | 0 | 0 | 112.1 | W337 T338 S343 L344 F376 H381 | W337-L341 HydrophobicContact CD2-CD1 4.36Å; W337-L341 HydrophobicContact CD2-CG 4.28Å; W337-L341 VanDerWaalsContact CE2-CD1 3.48Å; W337-L341 HydrophobicContact CH2-CD1 4.27Å; W337-L341 HydrophobicContact CH2-CD2 3.48Å; W337-L341 VanDerWaalsContact CH2-CD2 3.48Å; W337-L341 HydrophobicContact CH2-CG 3.7Å; W337-L341 HydrophobicContact CZ2-CD1 3.44Å; W337-L341 VanDerWaalsContact CZ2-CD1 3.44Å; W337-L341 HydrophobicContact CZ2-CD2 3.44Å; W337-L341 VanDerWaalsContact CZ2-CD2 3.44Å; W337-L341 HydrophobicContact CZ2-CG 3.4Å; W337-L341 HydrophobicContact CZ3-CD2 4.38Å; W337-L341 HydrophobicContact CZ3-CG 4.3Å; W337-L341 PolarHBondContact O-N 3.17Å; T338-L341 PolarHBondContact O-N 3.32Å; L341-S343 PolarHBondContact O-N 3.33Å; L341-L344 HydrophobicContact CD2-CD1 4.45Å; L341-L344 WeakPolarHBondContact O-CB 3.33Å; L341-L344 PolarHBondContact O-N 3.21Å; L341-L344 VanDerWaalsContact O-N 3.09Å; L341-F376 HydrophobicContact CD2-CE1 4.23Å; L341-H381 HydrophobicContact CD2-CB 4.06Å |
| 342 | H | 94.5 | Very high | 92.3 | Very high | 115 Ų | 115 | 44.6 Ų | 44.6 | 53% | 0.532 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -58.9 | -36.4 | 178.4 | -177.5 | 74.6 | 0 | 0 | 0 | 111.4 | T338 L339 L344 N345 V346 | T338-H342 VanDerWaalsContact O-CB 3.29Å; T338-H342 WeakPolarHBondContact O-CB 3.46Å; T338-H342 PolarHBondContact O-N 2.73Å; L339-H342 PolarHBondContact O-N 3.15Å; H342-L344 PolarHBondContact O-N 2.99Å; H342-N345 PolarHBondContact O-N 3.34Å; H342-V346 PolarHBondContact O-N 2.65Å |
| 343 | S | 93.9 | Very high | 92.6 | Very high | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.007 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -26.2 | 176.3 | -165.9 | 0 | 0 | 0 | 0 | 114.3 | L339 L340 L341 N345 S352 V353 L354 | L339-S343 PolarHBondContact O-N 3.04Å; L339-S343 VanDerWaalsContact O-N 3.11Å; L340-S343 VanDerWaalsContact O-CB 3.25Å; L340-S343 WeakPolarHBondContact O-CB 3.49Å; L340-S343 PolarHBondContact O-N 2.89Å; L341-S343 PolarHBondContact O-N 3.33Å; S343-N345 VanDerWaalsContact C-N 3.28Å; S343-S352 WeakPolarHBondContact O-CB 3.42Å; S343-S352 WeakPolarHBondContact OG-CB 3.38Å; S343-S352 PolarHBondContact OG-OG 3.2Å; S343-V353 PolarHBondContact OG-N 2.94Å; S343-L354 WeakPolarHBondContact OG-CB 3.3Å; S343-L354 WeakPolarHBondContact OG-CG 3.49Å; S343-L354 PolarHBondContact OG-N 2.86Å |
| 344 | L | 94 | Very high | 92.7 | Very high | 11 Ų | 11 | 41.8 Ų | 41.8 | 6% | 0.058 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -22.8 | 177.5 | -59 | 179.1 | 0 | 0 | 0 | 113 | L341 H342 L354 F376 H381 P384 F385 V388 | L341-L344 HydrophobicContact CD2-CD1 4.45Å; L341-L344 WeakPolarHBondContact O-CB 3.33Å; L341-L344 PolarHBondContact O-N 3.21Å; L341-L344 VanDerWaalsContact O-N 3.09Å; H342-L344 PolarHBondContact O-N 2.99Å; L344-L354 HydrophobicContact CD2-CD1 3.71Å; L344-L354 HydrophobicContact CG-CD1 4.48Å; L344-F376 HydrophobicContact CD1-CD1 4.21Å; L344-F376 HydrophobicContact CD1-CE1 3.66Å; L344-F376 HydrophobicContact CD2-CE1 4.19Å; L344-F376 HydrophobicContact CD2-CZ 4.3Å; L344-F376 HydrophobicContact CG-CE1 4.08Å; L344-F376 HydrophobicContact CG-CZ 4.47Å; L344-H381 HydrophobicContact CD1-CB 4.39Å; L344-P384 HydrophobicContact CD1-CB 4.15Å; L344-F385 HydrophobicContact CD2-CB 4.15Å; L344-F385 HydrophobicContact CD2-CD2 4.01Å; L344-V388 HydrophobicContact CD2-CG2 3.76Å |
| 345 | N | 93.9 | Very high | 92.7 | Very high | 126 Ų | 126 | 37.6 Ų | 37.6 | 67% | 0.674 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -101.4 | -7.5 | -177 | -62.5 | -35.1 | 0 | 0 | 0 | 113 | H342 S343 | H342-N345 PolarHBondContact O-N 3.34Å; S343-N345 VanDerWaalsContact C-N 3.28Å |
| 346 | V | 91.4 | Very high | 92.7 | Very high | 13 Ų | 13 | 33.7 Ų | 33.7 | 8% | 0.079 | 17% | 0.17 | C | C | . | . | trans | -70.1 | 130.7 | 178.8 | 174.6 | 0 | 0 | 0 | 0 | 110.3 | H342 P348 F349 V792 | H342-V346 PolarHBondContact O-N 2.65Å; V346-P348 CarbonylContact O-C 3.59Å; V346-F349 WeakPolarHBondContact O-CA 3.4Å; V346-F349 PolarHBondContact O-N 2.99Å; V346-V792 HydrophobicContact CG1-CG1 3.42Å; V346-V792 VanDerWaalsContact CG1-CG1 3.42Å | ||
| 347 | Q | 87.4 | Confident | 92.6 | Very high | 137 Ų | 137 | 33.6 Ų | 33.6 | 64% | 0.64 | 17% | 0.17 | S | C | * | . | S | Bend | trans | -122.1 | 129.7 | 175.9 | -65.4 | -61.7 | -31.2 | 0 | 0 | 110.7 | ||
| 348 | P | 88.4 | Confident | 92.5 | Very high | 42 Ų | 42 | 32.9 Ų | 32.9 | 27% | 0.273 | 17% | 0.172 | S | C | . | . | S | Bend | cis | -73.5 | 147.7 | -6 | 33.7 | -35.7 | 0 | 0 | 0 | 111.4 | V346 R350 A351 I789 | V346-P348 CarbonylContact O-C 3.59Å; P348-R350 HydrophobicContact CB-CG 4Å; P348-R350 HydrophobicContact CG-CG 3.94Å; P348-R350 PolarHBondContact O-N 3.21Å; P348-R350 VanDerWaalsContact O-N 3.1Å; P348-A351 HydrophobicContact CG-CB 4.48Å; P348-A351 PolarHBondContact O-N 2.9Å; P348-I789 HydrophobicContact CG-CD1 3.72Å; P348-I789 HydrophobicContact CG-CG1 3.74Å; P348-I789 HydrophobicContact CG-CG2 4.34Å |
| 349 | F | 91.5 | Very high | 92.3 | Very high | 12 Ų | 12 | 30.3 Ų | 30.3 | 5% | 0.053 | 15% | 0.153 | C | C | . | . | G | 310 helix | trans | -55.8 | -32.6 | -176.4 | 176.3 | -101.5 | 0 | 0 | 0 | 113.1 | V346 A351 S352 L354 A355 V388 L389 E392 | V346-F349 WeakPolarHBondContact O-CA 3.4Å; V346-F349 PolarHBondContact O-N 2.99Å; F349-A351 PolarHBondContact O-N 3.03Å; F349-A351 VanDerWaalsContact O-N 3.07Å; F349-S352 WeakPolarHBondContact CD2-OG 3.38Å; F349-S352 WeakPolarHBondContact CE2-OG 3.42Å; F349-S352 WeakPolarHBondContact O-CB 3.46Å; F349-S352 PolarHBondContact O-N 3.43Å; F349-S352 PolarHBondContact O-OG 2.87Å; F349-L354 HydrophobicContact CE2-CB 4.09Å; F349-L354 HydrophobicContact CE2-CD1 4.16Å; F349-L354 HydrophobicContact CZ-CB 3.86Å; F349-L354 HydrophobicContact CZ-CD1 4.42Å; F349-A355 HydrophobicContact CD1-CB 4.45Å; F349-A355 HydrophobicContact CE1-CB 4.31Å; F349-A355 WeakPolarHBondContact O-CB 3.35Å; F349-V388 HydrophobicContact CD2-CB 3.85Å; F349-V388 HydrophobicContact CD2-CG1 4.41Å; F349-V388 HydrophobicContact CD2-CG2 3.97Å; F349-V388 HydrophobicContact CE2-CB 4.01Å; F349-V388 HydrophobicContact CE2-CG2 3.61Å; F349-V388 HydrophobicContact CG-CB 4.2Å; F349-V388 HydrophobicContact CZ-CG2 4.04Å; F349-L389 HydrophobicContact CE1-CD2 4.03Å; F349-L389 HydrophobicContact CZ-CD2 3.98Å; F349-E392 HydrophobicContact CD1-CB 3.92Å; F349-E392 HydrophobicContact CD1-CG 4.03Å; F349-E392 HydrophobicContact CE1-CB 4.48Å |
| 350 | R | 89.3 | Confident | 92 | Very high | 48 Ų | 48 | 29.7 Ų | 29.7 | 18% | 0.181 | 15% | 0.15 | C | C | . | . | G | 310 helix | trans | -56.7 | -18.4 | 174.4 | 65.3 | -172.3 | -55.6 | -163.8 | -2.3 | 116 | P348 A355 Q782 L783 | P348-R350 HydrophobicContact CB-CG 4Å; P348-R350 HydrophobicContact CG-CG 3.94Å; P348-R350 PolarHBondContact O-N 3.21Å; P348-R350 VanDerWaalsContact O-N 3.1Å; R350-A355 WeakPolarHBondContact O-CB 3.3Å; R350-Q782 VanDerWaalsContact NH2-OE1 3.16Å; R350-L783 HydrophobicContact CB-CD2 4.04Å; R350-L783 HydrophobicContact CG-CD2 3.47Å; R350-L783 VanDerWaalsContact CG-CD2 3.47Å |
| 351 | A | 90.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | -94.6 | -1.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | P348 F349 I789 V792 T793 S796 | P348-A351 HydrophobicContact CG-CB 4.48Å; P348-A351 PolarHBondContact O-N 2.9Å; F349-A351 PolarHBondContact O-N 3.03Å; F349-A351 VanDerWaalsContact O-N 3.07Å; A351-I789 HydrophobicContact CB-CG2 4.15Å; A351-V792 HydrophobicContact CB-CB 4Å; A351-V792 HydrophobicContact CB-CG1 3.65Å; A351-T793 WeakPolarHBondContact CB-OG1 3.49Å; A351-S796 VanDerWaalsContact O-CB 3.3Å; A351-S796 WeakPolarHBondContact O-CB 3.4Å; A351-S796 PolarHBondContact O-OG 3.47Å |
| 352 | S | 93.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -82.1 | 164.8 | -175.4 | 79.8 | 0 | 0 | 0 | 0 | 113.3 | S343 F349 L354 A355 L356 | S343-S352 WeakPolarHBondContact O-CB 3.42Å; S343-S352 WeakPolarHBondContact OG-CB 3.38Å; S343-S352 PolarHBondContact OG-OG 3.2Å; F349-S352 WeakPolarHBondContact CD2-OG 3.38Å; F349-S352 WeakPolarHBondContact CE2-OG 3.42Å; F349-S352 WeakPolarHBondContact O-CB 3.46Å; F349-S352 PolarHBondContact O-N 3.43Å; F349-S352 PolarHBondContact O-OG 2.87Å; S352-L354 VanDerWaalsContact C-N 3.34Å; S352-L354 PolarHBondContact O-N 3.28Å; S352-A355 PolarHBondContact O-N 2.85Å; S352-A355 VanDerWaalsContact O-N 3.16Å; S352-A355 PolarHBondContact OG-N 3.17Å; S352-L356 WeakPolarHBondContact O-CG 3.49Å; S352-L356 PolarHBondContact O-N 3.33Å |
| 353 | V | 93.8 | Very high | 90.6 | Very high | 3 Ų | 3 | 37 Ų | 37 | 2% | 0.018 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -57.2 | -43.4 | 178.2 | 172.5 | 0 | 0 | 0 | 0 | 112.8 | L339 S343 A355 L356 I357 I800 | L339-V353 HydrophobicContact CD1-CG2 3.77Å; L339-V353 HydrophobicContact CD2-CG1 4.37Å; L339-V353 HydrophobicContact CD2-CG2 4.26Å; L339-V353 HydrophobicContact CG-CG1 4.35Å; L339-V353 HydrophobicContact CG-CG2 3.92Å; S343-V353 PolarHBondContact OG-N 2.94Å; V353-A355 VanDerWaalsContact C-N 3.33Å; V353-A355 PolarHBondContact O-N 3.43Å; V353-L356 PolarHBondContact O-N 3.05Å; V353-I357 HydrophobicContact CG1-CD1 3.99Å; V353-I357 VanDerWaalsContact O-CG1 3.31Å; V353-I357 WeakPolarHBondContact O-CG1 3.33Å; V353-I357 PolarHBondContact O-N 3.29Å; V353-I800 HydrophobicContact CB-CD1 4.3Å; V353-I800 HydrophobicContact CB-CG1 4.28Å; V353-I800 HydrophobicContact CG1-CD1 3.91Å; V353-I800 HydrophobicContact CG1-CG1 3.7Å; V353-I800 HydrophobicContact CG2-CD1 4.09Å; V353-I800 HydrophobicContact CG2-CG1 3.8Å |
| 354 | L | 94.2 | Very high | 90.2 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64 | -38.5 | 177.9 | -70 | 170.1 | 0 | 0 | 0 | 112.1 | L340 S343 L344 F349 S352 I357 S358 L372 F376 F385 | L340-L354 HydrophobicContact CD2-CD2 3.91Å; S343-L354 WeakPolarHBondContact OG-CB 3.3Å; S343-L354 WeakPolarHBondContact OG-CG 3.49Å; S343-L354 PolarHBondContact OG-N 2.86Å; L344-L354 HydrophobicContact CD2-CD1 3.71Å; L344-L354 HydrophobicContact CG-CD1 4.48Å; F349-L354 HydrophobicContact CE2-CB 4.09Å; F349-L354 HydrophobicContact CE2-CD1 4.16Å; F349-L354 HydrophobicContact CZ-CB 3.86Å; F349-L354 HydrophobicContact CZ-CD1 4.42Å; S352-L354 VanDerWaalsContact C-N 3.34Å; S352-L354 PolarHBondContact O-N 3.28Å; L354-I357 PolarHBondContact O-N 3.44Å; L354-S358 PolarHBondContact O-N 3.3Å; L354-S358 VanDerWaalsContact O-N 3.15Å; L354-L372 HydrophobicContact CD2-CD1 4.37Å; L354-L372 HydrophobicContact CD2-CD2 3.81Å; L354-F376 HydrophobicContact CD1-CE2 4.14Å; L354-F376 HydrophobicContact CD1-CZ 3.84Å; L354-F376 HydrophobicContact CD2-CE2 3.97Å; L354-F376 HydrophobicContact CD2-CZ 4.23Å; L354-F385 HydrophobicContact CD1-CD2 4.18Å; L354-F385 HydrophobicContact CD1-CE2 4.16Å |
| 355 | A | 92.1 | Very high | 89.8 | Confident | 3 Ų | 3 | 37.6 Ų | 37.6 | 3% | 0.025 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -67.7 | -41.2 | 175 | 0 | 0 | 0 | 0 | 0 | 111.5 | F349 R350 S352 V353 I357 S358 Y359 | F349-A355 HydrophobicContact CD1-CB 4.45Å; F349-A355 HydrophobicContact CE1-CB 4.31Å; F349-A355 WeakPolarHBondContact O-CB 3.35Å; R350-A355 WeakPolarHBondContact O-CB 3.3Å; S352-A355 PolarHBondContact O-N 2.85Å; S352-A355 VanDerWaalsContact O-N 3.16Å; S352-A355 PolarHBondContact OG-N 3.17Å; V353-A355 VanDerWaalsContact C-N 3.33Å; V353-A355 PolarHBondContact O-N 3.43Å; A355-I357 VanDerWaalsContact C-N 3.33Å; A355-I357 PolarHBondContact O-N 2.96Å; A355-S358 WeakPolarHBondContact O-CA 2.98Å; A355-S358 WeakPolarHBondContact O-CB 3.47Å; A355-S358 PolarHBondContact O-N 3.48Å; A355-S358 PolarHBondContact O-OG 3Å; A355-Y359 VanDerWaalsContact O-CD2 3.27Å; A355-Y359 WeakPolarHBondContact O-CD2 3.41Å; A355-Y359 PolarHBondContact O-N 3.48Å |
| 356 | L | 92.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.3 | -40 | 175.6 | -67.5 | 174.4 | 0 | 0 | 0 | 112.6 | S352 V353 S358 Y359 L780 T793 L797 I800 | S352-L356 WeakPolarHBondContact O-CG 3.49Å; S352-L356 PolarHBondContact O-N 3.33Å; V353-L356 PolarHBondContact O-N 3.05Å; L356-S358 PolarHBondContact O-N 3.43Å; L356-Y359 HydrophobicContact CD2-CD2 4.22Å; L356-Y359 HydrophobicContact CD2-CE2 4.48Å; L356-Y359 PolarHBondContact O-N 2.99Å; L356-L780 HydrophobicContact CD2-CD2 3.85Å; L356-T793 HydrophobicContact CD2-CG2 4.19Å; L356-L797 HydrophobicContact CD1-CD2 3.81Å; L356-L797 HydrophobicContact CD1-CG 3.83Å; L356-I800 HydrophobicContact CB-CD1 4.21Å; L356-I800 HydrophobicContact CD1-CD1 3.89Å |
| 357 | I | 92.5 | Very high | 89.1 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.2 | -37 | 172.1 | -70.1 | 166.8 | 0 | 0 | 0 | 111 | L340 V353 L354 A355 Y359 L360 I368 L372 L753 | L340-I357 HydrophobicContact CD2-CD1 4.36Å; V353-I357 HydrophobicContact CG1-CD1 3.99Å; V353-I357 VanDerWaalsContact O-CG1 3.31Å; V353-I357 WeakPolarHBondContact O-CG1 3.33Å; V353-I357 PolarHBondContact O-N 3.29Å; L354-I357 PolarHBondContact O-N 3.44Å; A355-I357 VanDerWaalsContact C-N 3.33Å; A355-I357 PolarHBondContact O-N 2.96Å; I357-Y359 PolarHBondContact O-N 3.46Å; I357-L360 HydrophobicContact CG2-CD1 4.48Å; I357-L360 WeakPolarHBondContact O-CB 3.46Å; I357-L360 WeakPolarHBondContact O-CG 3.41Å; I357-L360 PolarHBondContact O-N 2.92Å; I357-I368 HydrophobicContact CD1-CD1 4.48Å; I357-I368 HydrophobicContact CG2-CD1 3.83Å; I357-I368 HydrophobicContact CG2-CG2 3.66Å; I357-L372 HydrophobicContact CG2-CD1 4.35Å; I357-L753 HydrophobicContact CD1-CD2 4.14Å; I357-L753 HydrophobicContact CG1-CD2 4.02Å |
| 358 | S | 91 | Very high | 89.3 | Confident | 36 Ų | 36 | 34.6 Ų | 34.6 | 25% | 0.252 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -67.9 | -18.4 | 179.1 | 83.5 | 0 | 0 | 0 | 0 | 114.1 | L354 A355 L356 | L354-S358 PolarHBondContact O-N 3.3Å; L354-S358 VanDerWaalsContact O-N 3.15Å; A355-S358 WeakPolarHBondContact O-CA 2.98Å; A355-S358 WeakPolarHBondContact O-CB 3.47Å; A355-S358 PolarHBondContact O-N 3.48Å; A355-S358 PolarHBondContact O-OG 3Å; L356-S358 PolarHBondContact O-N 3.43Å |
| 359 | Y | 89.2 | Confident | 89.6 | Confident | 33 Ų | 33 | 32.6 Ų | 32.6 | 13% | 0.129 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -4 | 176.3 | -58.9 | -47.4 | 0 | 0 | 0 | 114 | A355 L356 I357 P779 L780 L783 | A355-Y359 VanDerWaalsContact O-CD2 3.27Å; A355-Y359 WeakPolarHBondContact O-CD2 3.41Å; A355-Y359 PolarHBondContact O-N 3.48Å; L356-Y359 HydrophobicContact CD2-CD2 4.22Å; L356-Y359 HydrophobicContact CD2-CE2 4.48Å; L356-Y359 PolarHBondContact O-N 2.99Å; I357-Y359 PolarHBondContact O-N 3.46Å; Y359-P779 HydrophobicContact CD1-CB 4.28Å; Y359-P779 HydrophobicContact CD1-CG 4.17Å; Y359-P779 HydrophobicContact CE1-CB 3.79Å; Y359-P779 HydrophobicContact CE1-CG 4.06Å; Y359-L780 HydrophobicContact CD2-CD2 3.32Å; Y359-L780 HydrophobicContact CD2-CG 4.02Å; Y359-L780 HydrophobicContact CE2-CD2 3.5Å; Y359-L780 VanDerWaalsContact CE2-CD2 3.5Å; Y359-L780 HydrophobicContact CE2-CG 4.45Å; Y359-L780 HydrophobicContact CG-CD2 4.19Å; Y359-L780 HydrophobicContact CG-CG 4.44Å; Y359-L783 HydrophobicContact CE2-CD1 4.23Å |
| 360 | L | 89.9 | Confident | 89.5 | Confident | 7 Ų | 7 | 34.2 Ų | 34.2 | 4% | 0.037 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -63.2 | 160.2 | 171 | -64.8 | 178.4 | 0 | 0 | 0 | 111 | I357 K362 T752 Y756 F760 W763 | I357-L360 HydrophobicContact CG2-CD1 4.48Å; I357-L360 WeakPolarHBondContact O-CB 3.46Å; I357-L360 WeakPolarHBondContact O-CG 3.41Å; I357-L360 PolarHBondContact O-N 2.92Å; L360-K362 PolarHBondContact O-N 3.33Å; L360-T752 HydrophobicContact CD1-CG2 4.41Å; L360-Y756 HydrophobicContact CD1-CD2 4.35Å; L360-Y756 HydrophobicContact CD1-CG 4.42Å; L360-Y756 HydrophobicContact CD2-CD1 3.79Å; L360-Y756 HydrophobicContact CD2-CD2 4.42Å; L360-Y756 HydrophobicContact CD2-CE1 4.49Å; L360-Y756 HydrophobicContact CD2-CG 3.75Å; L360-F760 HydrophobicContact CD1-CZ 4.13Å; L360-F760 HydrophobicContact CD2-CE1 4.24Å; L360-F760 HydrophobicContact CD2-CE2 4.46Å; L360-F760 HydrophobicContact CD2-CZ 3.87Å; L360-F760 HydrophobicContact CG-CZ 4.29Å; L360-W763 HydrophobicContact CD2-CH2 4Å |
| 361 | P | 86.9 | Confident | 89.6 | Confident | 64 Ų | 64 | 32.5 Ų | 32.5 | 42% | 0.416 | 17% | 0.166 | S | C | . | . | trans | -52.5 | 138.5 | 177 | -27.2 | 35.7 | 0 | 0 | 0 | 112.3 | S363 E364 S365 Y756 | P361-S363 PolarHBondContact O-N 3.26Å; P361-E364 PolarHBondContact O-N 3.31Å; P361-S365 PolarHBondContact O-N 3.09Å; P361-Y756 HydrophobicContact CG-CE1 3.95Å | ||
| 362 | K | 85.3 | Confident | 89.9 | Confident | 168 Ų | 168 | 32.5 Ų | 32.5 | 73% | 0.73 | 17% | 0.166 | S | C | * | . | H | α-helix | trans | -49.4 | -38 | -173.7 | -71.3 | -173.5 | 177.9 | -179.9 | 0 | 114 | L360 E364 S365 D366 | L360-K362 PolarHBondContact O-N 3.33Å; K362-E364 PolarHBondContact O-N 3.22Å; K362-S365 VanDerWaalsContact CA-OG 3.32Å; K362-S365 WeakPolarHBondContact CA-OG 3.38Å; K362-S365 PolarHBondContact O-OG 3.4Å; K362-S365 VanDerWaalsContact O-OG 3.06Å; K362-D366 WeakPolarHBondContact O-CB 3.41Å; K362-D366 PolarHBondContact O-N 3.46Å |
| 363 | S | 82.7 | Confident | 89.9 | Confident | 73 Ų | 73 | 32.5 Ų | 32.5 | 51% | 0.51 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -60.3 | -27.6 | 178.9 | 54.5 | 0 | 0 | 0 | 0 | 114.3 | P361 R367 | P361-S363 PolarHBondContact O-N 3.26Å; S363-R367 WeakPolarHBondContact O-CD 3.02Å; S363-R367 WeakPolarHBondContact O-CG 2.89Å |
| 364 | E | 84.5 | Confident | 89.8 | Confident | 17 Ų | 17 | 35.6 Ų | 35.6 | 8% | 0.079 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -103.5 | -34.7 | -178 | -64.6 | -78.3 | -179.6 | 0 | 0 | 111.2 | P361 K362 D366 R367 I368 R755 Y756 | P361-E364 PolarHBondContact O-N 3.31Å; K362-E364 PolarHBondContact O-N 3.22Å; E364-D366 PolarHBondContact O-N 3.44Å; E364-R367 PolarHBondContact O-N 3.07Å; E364-R367 IonicContact OE1-CZ 2.73Å; E364-R367 IonicContact OE1-NH1 3.78Å; E364-R367 PolarHBondContact OE1-NH1 3.5Å; E364-R367 WeakPolarHBondContact OE2-CD 3.48Å; E364-R367 IonicContact OE2-NH1 3.14Å; E364-R367 PolarHBondContact OE2-NH1 3.31Å; E364-I368 PolarHBondContact O-N 3.48Å; E364-I368 VanDerWaalsContact O-N 3.09Å; E364-R755 VanDerWaalsContact CD-NH1 3.3Å; E364-R755 IonicContact OE1-NH1 3.76Å; E364-R755 PolarHBondContact OE1-NH1 3.25Å; E364-R755 IonicContact OE2-NH1 3.44Å; E364-R755 PolarHBondContact OE2-NH1 3.42Å; E364-Y756 HydrophobicContact CB-CE2 3.84Å; E364-Y756 HydrophobicContact CG-CE2 3.61Å; E364-Y756 WeakPolarHBondContact CG-OH 3.39Å |
| 365 | S | 85.3 | Confident | 89.7 | Confident | 8 Ų | 8 | 35.7 Ų | 35.7 | 6% | 0.056 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -57.6 | -38.6 | 168.5 | 69 | 0 | 0 | 0 | 0 | 111.1 | P361 K362 R367 I368 V369 | P361-S365 PolarHBondContact O-N 3.09Å; K362-S365 VanDerWaalsContact CA-OG 3.32Å; K362-S365 WeakPolarHBondContact CA-OG 3.38Å; K362-S365 PolarHBondContact O-OG 3.4Å; K362-S365 VanDerWaalsContact O-OG 3.06Å; S365-R367 VanDerWaalsContact C-N 3.29Å; S365-R367 PolarHBondContact O-N 2.95Å; S365-I368 WeakPolarHBondContact O-CG2 3.43Å; S365-I368 PolarHBondContact O-N 2.95Å; S365-V369 WeakPolarHBondContact O-CG2 3.38Å; S365-V369 PolarHBondContact O-N 3.49Å |
| 366 | D | 85.5 | Confident | 89.8 | Confident | 77 Ų | 77 | 35.5 Ų | 35.5 | 41% | 0.412 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -67.1 | -28.3 | 176.4 | -78.4 | -16.5 | 0 | 0 | 0 | 113.5 | K362 E364 R412 | K362-D366 WeakPolarHBondContact O-CB 3.41Å; K362-D366 PolarHBondContact O-N 3.46Å; E364-D366 PolarHBondContact O-N 3.44Å; D366-R412 IonicContact OD1-NE 2.79Å |
| 367 | R | 85.9 | Confident | 89.7 | Confident | 135 Ų | 135 | 35.6 Ų | 35.6 | 51% | 0.509 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -77.1 | -34.3 | 178.1 | -71.7 | 172.9 | -179.5 | 173.8 | 1.9 | 112.4 | S363 E364 S365 P371 | S363-R367 WeakPolarHBondContact O-CD 3.02Å; S363-R367 WeakPolarHBondContact O-CG 2.89Å; E364-R367 PolarHBondContact O-N 3.07Å; E364-R367 IonicContact OE1-CZ 2.73Å; E364-R367 IonicContact OE1-NH1 3.78Å; E364-R367 PolarHBondContact OE1-NH1 3.5Å; E364-R367 WeakPolarHBondContact OE2-CD 3.48Å; E364-R367 IonicContact OE2-NH1 3.14Å; E364-R367 PolarHBondContact OE2-NH1 3.31Å; S365-R367 VanDerWaalsContact C-N 3.29Å; S365-R367 PolarHBondContact O-N 2.95Å; R367-P371 WeakPolarHBondContact O-CD 3.26Å |
| 368 | I | 91.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -82.8 | -19.4 | -178.4 | -153.7 | 177.1 | 0 | 0 | 0 | 113.1 | I357 E364 S365 L370 P371 L372 F409 I749 T752 | I357-I368 HydrophobicContact CD1-CD1 4.48Å; I357-I368 HydrophobicContact CG2-CD1 3.83Å; I357-I368 HydrophobicContact CG2-CG2 3.66Å; E364-I368 PolarHBondContact O-N 3.48Å; E364-I368 VanDerWaalsContact O-N 3.09Å; S365-I368 WeakPolarHBondContact O-CG2 3.43Å; S365-I368 PolarHBondContact O-N 2.95Å; I368-L370 PolarHBondContact O-N 3.23Å; I368-P371 WeakPolarHBondContact O-CD 3.32Å; I368-L372 HydrophobicContact CG1-CD1 4.3Å; I368-L372 HydrophobicContact CG1-CG 4.28Å; I368-L372 HydrophobicContact CG2-CD1 4.03Å; I368-L372 WeakPolarHBondContact O-CG 3.2Å; I368-L372 PolarHBondContact O-N 3.11Å; I368-F409 HydrophobicContact CG2-CE2 4.42Å; I368-I749 HydrophobicContact CD1-CB 4.41Å; I368-I749 HydrophobicContact CD1-CG1 4.29Å; I368-I749 HydrophobicContact CD1-CG2 4.13Å; I368-I749 HydrophobicContact CG1-CG1 4Å; I368-T752 HydrophobicContact CB-CG2 4.44Å; I368-T752 HydrophobicContact CD1-CG2 3.87Å; I368-T752 HydrophobicContact CG1-CG2 4.46Å |
| 369 | V | 93.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -55.1 | -50.4 | -179.7 | 164 | 0 | 0 | 0 | 0 | 112.6 | S365 L372 V373 F409 R412 C413 E416 | S365-V369 WeakPolarHBondContact O-CG2 3.38Å; S365-V369 PolarHBondContact O-N 3.49Å; V369-L372 PolarHBondContact O-N 3.33Å; V369-V373 HydrophobicContact CG1-CG2 4.23Å; V369-V373 WeakPolarHBondContact O-CB 3.26Å; V369-V373 VanDerWaalsContact O-CG2 3.27Å; V369-V373 WeakPolarHBondContact O-CG2 3.26Å; V369-V373 PolarHBondContact O-N 2.86Å; V369-F409 HydrophobicContact CG2-CD2 3.92Å; V369-F409 HydrophobicContact CG2-CE2 3.62Å; V369-F409 HydrophobicContact CG2-CZ 4.28Å; V369-R412 HydrophobicContact CB-CG 4.34Å; V369-R412 HydrophobicContact CG1-CG 4.04Å; V369-R412 HydrophobicContact CG2-CB 4.33Å; V369-R412 HydrophobicContact CG2-CG 3.97Å; V369-C413 HydrophobicContact CG1-CB 4.33Å; V369-E416 HydrophobicContact CG1-CB 4.18Å; V369-E416 HydrophobicContact CG1-CG 3.9Å |
| 370 | L | 91.4 | Very high | 89.1 | Confident | 47 Ų | 47 | 41.4 Ų | 41.4 | 25% | 0.246 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -66.1 | -46 | -177.1 | 179.3 | 65 | 0 | 0 | 0 | 112.2 | I368 L372 V373 R374 E416 | I368-L370 PolarHBondContact O-N 3.23Å; L370-L372 PolarHBondContact O-N 3.26Å; L370-V373 PolarHBondContact O-N 2.84Å; L370-R374 HydrophobicContact CD1-CG 4.17Å; L370-R374 WeakPolarHBondContact O-CB 3.46Å; L370-R374 WeakPolarHBondContact O-CG 3.36Å; L370-R374 PolarHBondContact O-N 3.38Å; L370-E416 HydrophobicContact CD1-CB 4.3Å |
| 371 | P | 91.4 | Very high | 89.2 | Confident | 11 Ų | 11 | 44.7 Ų | 44.7 | 7% | 0.071 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -49.1 | -52.6 | 167.5 | -30.1 | 34.7 | 0 | 0 | 0 | 113.1 | R367 I368 V373 R374 T375 Q745 N748 I749 | R367-P371 WeakPolarHBondContact O-CD 3.26Å; I368-P371 WeakPolarHBondContact O-CD 3.32Å; P371-V373 PolarHBondContact O-N 3.32Å; P371-R374 PolarHBondContact O-N 3.2Å; P371-T375 PolarHBondContact O-N 2.94Å; P371-T375 PolarHBondContact O-OG1 2.91Å; P371-Q745 HydrophobicContact CB-CB 4.4Å; P371-N748 HydrophobicContact CB-CB 4.28Å; P371-N748 HydrophobicContact CG-CB 4.03Å; P371-I749 HydrophobicContact CB-CD1 4.3Å; P371-I749 HydrophobicContact CB-CG1 3.91Å |
| 372 | L | 95.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -58.9 | -48.8 | -179.8 | -73.7 | 168.7 | 0 | 0 | 0 | 112.3 | L340 L354 I357 I368 V369 L370 R374 T375 F376 F409 I749 | L340-L372 HydrophobicContact CD1-CD2 4.4Å; L340-L372 HydrophobicContact CD2-CD2 4Å; L354-L372 HydrophobicContact CD2-CD1 4.37Å; L354-L372 HydrophobicContact CD2-CD2 3.81Å; I357-L372 HydrophobicContact CG2-CD1 4.35Å; I368-L372 HydrophobicContact CG1-CD1 4.3Å; I368-L372 HydrophobicContact CG1-CG 4.28Å; I368-L372 HydrophobicContact CG2-CD1 4.03Å; I368-L372 WeakPolarHBondContact O-CG 3.2Å; I368-L372 PolarHBondContact O-N 3.11Å; V369-L372 PolarHBondContact O-N 3.33Å; L370-L372 PolarHBondContact O-N 3.26Å; L372-R374 VanDerWaalsContact C-N 3.32Å; L372-R374 PolarHBondContact O-N 3.3Å; L372-T375 PolarHBondContact O-N 3.49Å; L372-F376 HydrophobicContact CD2-CE2 4.35Å; L372-F376 WeakPolarHBondContact O-CD2 3.43Å; L372-F376 PolarHBondContact O-N 3.08Å; L372-F409 HydrophobicContact CD1-CZ 3.81Å; L372-I749 HydrophobicContact CD2-CD1 3.74Å; L372-I749 HydrophobicContact CD2-CG1 4.25Å; L372-I749 HydrophobicContact CG-CD1 4.24Å; L372-I749 HydrophobicContact CG-CG1 4.46Å |
| 373 | V | 94.2 | Very high | 89.8 | Confident | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.006 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -57.6 | -47.2 | 178.5 | 168.4 | 0 | 0 | 0 | 0 | 110.5 | V369 L370 P371 T375 F376 V377 F385 C413 L417 L420 | V369-V373 HydrophobicContact CG1-CG2 4.23Å; V369-V373 WeakPolarHBondContact O-CB 3.26Å; V369-V373 VanDerWaalsContact O-CG2 3.27Å; V369-V373 WeakPolarHBondContact O-CG2 3.26Å; V369-V373 PolarHBondContact O-N 2.86Å; L370-V373 PolarHBondContact O-N 2.84Å; P371-V373 PolarHBondContact O-N 3.32Å; V373-T375 PolarHBondContact O-N 2.93Å; V373-F376 PolarHBondContact O-N 3.35Å; V373-V377 HydrophobicContact CG1-CG2 4.37Å; V373-V377 WeakPolarHBondContact O-CB 3.45Å; V373-V377 VanDerWaalsContact O-CG2 3.24Å; V373-V377 WeakPolarHBondContact O-CG2 3.23Å; V373-V377 PolarHBondContact O-N 3.02Å; V373-F385 HydrophobicContact CG2-CE1 4.25Å; V373-C413 HydrophobicContact CG2-CB 4.02Å; V373-C413 WeakPolarHBondContact CG2-O 3.17Å; V373-L417 HydrophobicContact CG1-CB 3.77Å; V373-L417 HydrophobicContact CG1-CD1 4.01Å; V373-L417 HydrophobicContact CG1-CG 4.49Å; V373-L420 HydrophobicContact CG1-CD2 4.37Å |
| 374 | R | 91.4 | Very high | 90.4 | Very high | 67 Ų | 67 | 37.1 Ų | 37.1 | 25% | 0.253 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -62.4 | -42 | 177.9 | -77 | 174.6 | 173.2 | 176.4 | -4.7 | 111.9 | L370 P371 L372 V377 H378 L420 I740 Q745 | L370-R374 HydrophobicContact CD1-CG 4.17Å; L370-R374 WeakPolarHBondContact O-CB 3.46Å; L370-R374 WeakPolarHBondContact O-CG 3.36Å; L370-R374 PolarHBondContact O-N 3.38Å; P371-R374 PolarHBondContact O-N 3.2Å; L372-R374 VanDerWaalsContact C-N 3.32Å; L372-R374 PolarHBondContact O-N 3.3Å; R374-V377 PolarHBondContact O-N 2.81Å; R374-H378 WeakPolarHBondContact O-CB 2.76Å; R374-H378 PolarHBondContact O-N 3.28Å; R374-L420 HydrophobicContact CG-CD2 3.94Å; R374-I740 HydrophobicContact CB-CD1 4.19Å; R374-I740 HydrophobicContact CB-CG1 4.43Å; R374-I740 HydrophobicContact CB-CG2 3.84Å; R374-I740 HydrophobicContact CG-CD1 4.28Å; R374-I740 HydrophobicContact CG-CG1 4.35Å; R374-I740 HydrophobicContact CG-CG2 4.5Å; R374-Q745 HydrophobicContact CB-CG 3.76Å; R374-Q745 VanDerWaalsContact CD-OE1 3.3Å |
| 375 | T | 92 | Very high | 91 | Very high | 2 Ų | 2 | 36.4 Ų | 36.4 | 1% | 0.012 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.3 | -45.6 | 176.9 | -49 | 0 | 0 | 0 | 0 | 111.7 | W337 P371 L372 V373 H378 S379 Q745 L746 | W337-T375 HydrophobicContact CE3-CG2 3.45Å; W337-T375 VanDerWaalsContact CE3-CG2 3.45Å; W337-T375 HydrophobicContact CH2-CG2 4.22Å; W337-T375 HydrophobicContact CZ3-CG2 3.21Å; P371-T375 PolarHBondContact O-N 2.94Å; P371-T375 PolarHBondContact O-OG1 2.91Å; L372-T375 PolarHBondContact O-N 3.49Å; V373-T375 PolarHBondContact O-N 2.93Å; T375-H378 PolarHBondContact O-N 2.97Å; T375-S379 PolarHBondContact O-N 2.85Å; T375-S379 VanDerWaalsContact O-N 3.07Å; T375-S379 PolarHBondContact O-OG 2.94Å; T375-Q745 WeakPolarHBondContact OG1-CB 3.49Å; T375-L746 HydrophobicContact CG2-CD2 3.82Å; T375-L746 HydrophobicContact CG2-CG 4.18Å |
| 376 | F | 93.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -71.8 | -27 | 178.6 | -75.8 | -69.2 | 0 | 0 | 0 | 114 | W337 L340 L341 L344 L354 L372 V373 S379 N380 H381 V382 F385 | W337-F376 HydrophobicContact CH2-CD1 4.39Å; W337-F376 HydrophobicContact CH2-CE1 4.49Å; L340-F376 HydrophobicContact CB-CZ 4.21Å; L341-F376 HydrophobicContact CD2-CE1 4.23Å; L344-F376 HydrophobicContact CD1-CD1 4.21Å; L344-F376 HydrophobicContact CD1-CE1 3.66Å; L344-F376 HydrophobicContact CD2-CE1 4.19Å; L344-F376 HydrophobicContact CD2-CZ 4.3Å; L344-F376 HydrophobicContact CG-CE1 4.08Å; L344-F376 HydrophobicContact CG-CZ 4.47Å; L354-F376 HydrophobicContact CD1-CE2 4.14Å; L354-F376 HydrophobicContact CD1-CZ 3.84Å; L354-F376 HydrophobicContact CD2-CE2 3.97Å; L354-F376 HydrophobicContact CD2-CZ 4.23Å; L372-F376 HydrophobicContact CD2-CE2 4.35Å; L372-F376 WeakPolarHBondContact O-CD2 3.43Å; L372-F376 PolarHBondContact O-N 3.08Å; V373-F376 PolarHBondContact O-N 3.35Å; F376-S379 PolarHBondContact O-OG 2.81Å; F376-N380 PolarHBondContact O-N 2.82Å; F376-H381 HydrophobicContact CD1-CB 4.04Å; F376-H381 PolarHBondContact O-N 2.78Å; F376-V382 PolarHBondContact O-N 2.71Å; F376-F385 HydrophobicContact CB-CB 4.32Å; F376-F385 HydrophobicContact CB-CD1 4.11Å; F376-F385 HydrophobicContact CB-CG 4.26Å; F376-F385 HydrophobicContact CD1-CB 4.15Å; F376-F385 HydrophobicContact CD1-CG 4.38Å; F376-F385 HydrophobicContact CD2-CB 4.38Å; F376-F385 AromaticContact CD2-CD1 3.91Å; F376-F385 HydrophobicContact CD2-CD1 3.91Å; F376-F385 AromaticContact CD2-CD2 3.71Å; F376-F385 HydrophobicContact CD2-CD2 3.71Å; F376-F385 HydrophobicContact CD2-CE1 4.03Å; F376-F385 AromaticContact CD2-CE2 3.83Å; F376-F385 HydrophobicContact CD2-CE2 3.83Å; F376-F385 AromaticContact CD2-CG 3.74Å; F376-F385 HydrophobicContact CD2-CG 3.74Å; F376-F385 AromaticContact CD2-CZ 3.97Å; F376-F385 HydrophobicContact CD2-CZ 3.97Å; F376-F385 AromaticContact CE2-CD2 3.7Å; F376-F385 HydrophobicContact CE2-CD2 3.7Å; F376-F385 AromaticContact CE2-CE2 3.73Å; F376-F385 HydrophobicContact CE2-CE2 3.73Å; F376-F385 HydrophobicContact CE2-CG 4.2Å; F376-F385 HydrophobicContact CE2-CZ 4.25Å; F376-F385 HydrophobicContact CG-CB 4.03Å; F376-F385 HydrophobicContact CG-CD1 4.12Å; F376-F385 HydrophobicContact CG-CD2 4.22Å; F376-F385 AromaticContact CG-CG 3.87Å; F376-F385 HydrophobicContact CG-CG 3.87Å; F376-F385 HydrophobicContact CZ-CD2 4.18Å |
| 377 | V | 90.3 | Very high | 92 | Very high | 2 Ų | 2 | 34.6 Ų | 34.6 | 1% | 0.012 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -70.1 | -47.7 | 170.2 | 169.2 | 0 | 0 | 0 | 0 | 110.3 | V373 R374 S379 N380 V382 L417 L420 F738 I740 | V373-V377 HydrophobicContact CG1-CG2 4.37Å; V373-V377 WeakPolarHBondContact O-CB 3.45Å; V373-V377 VanDerWaalsContact O-CG2 3.24Å; V373-V377 WeakPolarHBondContact O-CG2 3.23Å; V373-V377 PolarHBondContact O-N 3.02Å; R374-V377 PolarHBondContact O-N 2.81Å; V377-S379 VanDerWaalsContact C-N 3.25Å; V377-S379 PolarHBondContact O-N 2.92Å; V377-N380 PolarHBondContact O-N 2.93Å; V377-N380 VanDerWaalsContact O-N 3.12Å; V377-V382 HydrophobicContact CG2-CB 4.28Å; V377-V382 HydrophobicContact CG2-CG2 4.03Å; V377-L417 HydrophobicContact CG2-CD1 3.48Å; V377-L417 VanDerWaalsContact CG2-CD1 3.48Å; V377-L420 HydrophobicContact CG2-CD2 4.45Å; V377-F738 HydrophobicContact CG1-CD2 3.97Å; V377-F738 HydrophobicContact CG1-CE2 4.39Å; V377-I740 HydrophobicContact CB-CD1 4.22Å; V377-I740 HydrophobicContact CG1-CD1 3.92Å |
| 378 | H | 87.2 | Confident | 92.4 | Very high | 73 Ų | 73 | 29.1 Ų | 29.1 | 34% | 0.338 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -57.4 | -39.7 | 178.8 | 175.1 | 80.7 | 0 | 0 | 0 | 112.1 | R374 T375 N380 I740 A742 | R374-H378 WeakPolarHBondContact O-CB 2.76Å; R374-H378 PolarHBondContact O-N 3.28Å; T375-H378 PolarHBondContact O-N 2.97Å; H378-N380 VanDerWaalsContact C-N 3.34Å; H378-N380 PolarHBondContact O-N 2.81Å; H378-I740 HydrophobicContact CB-CG2 4.13Å; H378-A742 VanDerWaalsContact CD2-CB 3.48Å; H378-A742 WeakPolarHBondContact CD2-CB 3.38Å |
| 379 | S | 86.2 | Confident | 92.6 | Very high | 25 Ų | 25 | 29.4 Ų | 29.4 | 18% | 0.175 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85 | 0.8 | -179.5 | 73.4 | 0 | 0 | 0 | 0 | 115.7 | W337 T375 F376 V377 H381 | W337-S379 WeakPolarHBondContact CH2-OG 3.43Å; W337-S379 WeakPolarHBondContact CZ2-OG 3.35Å; T375-S379 PolarHBondContact O-N 2.85Å; T375-S379 VanDerWaalsContact O-N 3.07Å; T375-S379 PolarHBondContact O-OG 2.94Å; F376-S379 PolarHBondContact O-OG 2.81Å; V377-S379 VanDerWaalsContact C-N 3.25Å; V377-S379 PolarHBondContact O-N 2.92Å; S379-H381 PolarHBondContact O-CE1 2.76Å; S379-H381 PolarHBondContact O-N 2.9Å; S379-H381 PolarHBondContact O-ND1 3.01Å; S379-H381 PolarHBondContact OG-N 2.9Å; S379-H381 PolarHBondContact OG-ND1 3.18Å |
| 380 | N | 87.1 | Confident | 92.6 | Very high | 93 Ų | 93 | 29.4 Ų | 29.4 | 50% | 0.497 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.5 | 23.8 | -174.8 | -157.9 | 23 | 0 | 0 | 0 | 115.1 | F376 V377 H378 | F376-N380 PolarHBondContact O-N 2.82Å; V377-N380 PolarHBondContact O-N 2.93Å; V377-N380 VanDerWaalsContact O-N 3.12Å; H378-N380 VanDerWaalsContact C-N 3.34Å; H378-N380 PolarHBondContact O-N 2.81Å |
| 381 | H | 91.9 | Very high | 92.8 | Very high | 76 Ų | 76 | 28.2 Ų | 28.2 | 35% | 0.352 | 15% | 0.148 | S | C | . | . | trans | -104.1 | 17 | 177.2 | -70.5 | 75 | 0 | 0 | 0 | 113.4 | L341 L344 F376 S379 K383 P384 F385 | L341-H381 HydrophobicContact CD2-CB 4.06Å; L344-H381 HydrophobicContact CD1-CB 4.39Å; F376-H381 HydrophobicContact CD1-CB 4.04Å; F376-H381 PolarHBondContact O-N 2.78Å; S379-H381 PolarHBondContact O-CE1 2.76Å; S379-H381 PolarHBondContact O-N 2.9Å; S379-H381 PolarHBondContact O-ND1 3.01Å; S379-H381 PolarHBondContact OG-N 2.9Å; S379-H381 PolarHBondContact OG-ND1 3.18Å; H381-K383 VanDerWaalsContact C-N 3.34Å; H381-K383 PolarHBondContact O-N 3.02Å; H381-P384 VanDerWaalsContact O-CD 3.32Å; H381-P384 WeakPolarHBondContact O-CD 3.32Å; H381-F385 WeakPolarHBondContact O-CB 3.46Å; H381-F385 PolarHBondContact O-N 2.83Å; H381-F385 VanDerWaalsContact O-N 3.16Å | ||
| 382 | V | 92.2 | Very high | 92.8 | Very high | 2 Ų | 2 | 29 Ų | 29 | 1% | 0.012 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -65 | -31.8 | -176.6 | 66.9 | 0 | 0 | 0 | 0 | 113.7 | F376 V377 F385 V386 L417 L485 I489 | F376-V382 PolarHBondContact O-N 2.71Å; V377-V382 HydrophobicContact CG2-CB 4.28Å; V377-V382 HydrophobicContact CG2-CG2 4.03Å; V382-F385 PolarHBondContact O-N 2.87Å; V382-V386 HydrophobicContact CG2-CG2 4.45Å; V382-V386 WeakPolarHBondContact O-CG2 3.32Å; V382-V386 PolarHBondContact O-N 3.36Å; V382-L417 HydrophobicContact CG2-CD1 3.8Å; V382-L417 HydrophobicContact CG2-CD2 3.5Å; V382-L417 VanDerWaalsContact CG2-CD2 3.5Å; V382-L417 HydrophobicContact CG2-CG 4.31Å; V382-L485 HydrophobicContact CG1-CD1 3.72Å; V382-I489 HydrophobicContact CG1-CD1 4.18Å; V382-I489 HydrophobicContact CG2-CD1 4.03Å |
| 383 | K | 93.4 | Very high | 92.7 | Very high | 81 Ų | 81 | 30.2 Ų | 30.2 | 35% | 0.352 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -66.6 | -52.7 | 178.2 | -58.9 | 178.7 | -168.1 | -172.1 | 0 | 112 | H381 F385 V386 C387 D488 I489 V492 | H381-K383 VanDerWaalsContact C-N 3.34Å; H381-K383 PolarHBondContact O-N 3.02Å; K383-F385 VanDerWaalsContact C-N 3.29Å; K383-F385 PolarHBondContact O-N 2.87Å; K383-V386 PolarHBondContact O-N 2.89Å; K383-C387 WeakPolarHBondContact O-CB 3.39Å; K383-C387 PolarHBondContact O-N 3.45Å; K383-D488 HydrophobicContact CD-CB 4.29Å; K383-D488 WeakPolarHBondContact CE-OD2 3.36Å; K383-D488 VanDerWaalsContact NZ-CG 3.32Å; K383-D488 IonicContact NZ-OD2 4Å; K383-D488 PolarHBondContact NZ-OD2 3.35Å; K383-I489 HydrophobicContact CG-CD1 4.24Å; K383-V492 HydrophobicContact CB-CG2 4.2Å; K383-V492 HydrophobicContact CG-CG2 4.5Å |
| 384 | P | 94.8 | Very high | 92.6 | Very high | 62 Ų | 62 | 30.4 Ų | 30.4 | 40% | 0.403 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -54.8 | -42.9 | 170.6 | -27.7 | 33.8 | 0 | 0 | 0 | 113.3 | L344 H381 V386 C387 V388 | L344-P384 HydrophobicContact CD1-CB 4.15Å; H381-P384 VanDerWaalsContact O-CD 3.32Å; H381-P384 WeakPolarHBondContact O-CD 3.32Å; P384-V386 PolarHBondContact O-N 2.8Å; P384-C387 WeakPolarHBondContact O-CB 3.44Å; P384-C387 PolarHBondContact O-N 3.1Å; P384-V388 WeakPolarHBondContact O-CG2 3.46Å; P384-V388 PolarHBondContact O-N 2.83Å |
| 385 | F | 95.9 | Very high | 92.6 | Very high | 3 Ų | 3 | 32.5 Ų | 32.5 | 1% | 0.013 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -58.6 | -48.4 | 179.2 | 176.5 | -122.2 | 0 | 0 | 0 | 112.8 | L344 L354 V373 F376 H381 V382 K383 C387 V388 L389 C413 | L344-F385 HydrophobicContact CD2-CB 4.15Å; L344-F385 HydrophobicContact CD2-CD2 4.01Å; L354-F385 HydrophobicContact CD1-CD2 4.18Å; L354-F385 HydrophobicContact CD1-CE2 4.16Å; V373-F385 HydrophobicContact CG2-CE1 4.25Å; F376-F385 HydrophobicContact CB-CB 4.32Å; F376-F385 HydrophobicContact CB-CD1 4.11Å; F376-F385 HydrophobicContact CB-CG 4.26Å; F376-F385 HydrophobicContact CD1-CB 4.15Å; F376-F385 HydrophobicContact CD1-CG 4.38Å; F376-F385 HydrophobicContact CD2-CB 4.38Å; F376-F385 AromaticContact CD2-CD1 3.91Å; F376-F385 HydrophobicContact CD2-CD1 3.91Å; F376-F385 AromaticContact CD2-CD2 3.71Å; F376-F385 HydrophobicContact CD2-CD2 3.71Å; F376-F385 HydrophobicContact CD2-CE1 4.03Å; F376-F385 AromaticContact CD2-CE2 3.83Å; F376-F385 HydrophobicContact CD2-CE2 3.83Å; F376-F385 AromaticContact CD2-CG 3.74Å; F376-F385 HydrophobicContact CD2-CG 3.74Å; F376-F385 AromaticContact CD2-CZ 3.97Å; F376-F385 HydrophobicContact CD2-CZ 3.97Å; F376-F385 AromaticContact CE2-CD2 3.7Å; F376-F385 HydrophobicContact CE2-CD2 3.7Å; F376-F385 AromaticContact CE2-CE2 3.73Å; F376-F385 HydrophobicContact CE2-CE2 3.73Å; F376-F385 HydrophobicContact CE2-CG 4.2Å; F376-F385 HydrophobicContact CE2-CZ 4.25Å; F376-F385 HydrophobicContact CG-CB 4.03Å; F376-F385 HydrophobicContact CG-CD1 4.12Å; F376-F385 HydrophobicContact CG-CD2 4.22Å; F376-F385 AromaticContact CG-CG 3.87Å; F376-F385 HydrophobicContact CG-CG 3.87Å; F376-F385 HydrophobicContact CZ-CD2 4.18Å; H381-F385 WeakPolarHBondContact O-CB 3.46Å; H381-F385 PolarHBondContact O-N 2.83Å; H381-F385 VanDerWaalsContact O-N 3.16Å; V382-F385 PolarHBondContact O-N 2.87Å; K383-F385 VanDerWaalsContact C-N 3.29Å; K383-F385 PolarHBondContact O-N 2.87Å; F385-C387 VanDerWaalsContact C-N 3.34Å; F385-C387 PolarHBondContact O-N 3.48Å; F385-V388 VanDerWaalsContact O-CG2 3.24Å; F385-V388 WeakPolarHBondContact O-CG2 3.27Å; F385-L389 HydrophobicContact CD1-CD1 4.24Å; F385-L389 HydrophobicContact CD2-CD1 4.04Å; F385-L389 HydrophobicContact CD2-CG 4.31Å; F385-L389 HydrophobicContact CE1-CD1 3.79Å; F385-L389 HydrophobicContact CE2-CD1 3.58Å; F385-L389 HydrophobicContact CE2-CD2 4.46Å; F385-L389 HydrophobicContact CE2-CG 4.07Å; F385-L389 HydrophobicContact CG-CD1 4.36Å; F385-L389 HydrophobicContact CZ-CD1 3.45Å; F385-L389 VanDerWaalsContact CZ-CD1 3.45Å; F385-L389 HydrophobicContact CZ-CG 4.42Å; F385-L389 WeakPolarHBondContact O-CB 3.28Å; F385-L389 VanDerWaalsContact O-CG 3.31Å; F385-L389 WeakPolarHBondContact O-CG 3.45Å; F385-L389 PolarHBondContact O-N 3.12Å; F385-C413 HydrophobicContact CE1-CB 4.16Å; F385-C413 HydrophobicContact CZ-CB 4.22Å |
| 386 | V | 96 | Very high | 92.3 | Very high | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.006 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66.2 | -37.5 | 175.6 | 172.8 | 0 | 0 | 0 | 0 | 111.6 | V382 K383 P384 V388 L389 C390 I414 L417 I489 V492 I493 | V382-V386 HydrophobicContact CG2-CG2 4.45Å; V382-V386 WeakPolarHBondContact O-CG2 3.32Å; V382-V386 PolarHBondContact O-N 3.36Å; K383-V386 PolarHBondContact O-N 2.89Å; P384-V386 PolarHBondContact O-N 2.8Å; V386-V388 PolarHBondContact O-N 2.8Å; V386-L389 PolarHBondContact O-N 3.36Å; V386-C390 WeakPolarHBondContact O-CB 3.35Å; V386-C390 PolarHBondContact O-N 3.02Å; V386-C390 PolarHBondContact O-SG 3.04Å; V386-I414 HydrophobicContact CG1-CD1 4.07Å; V386-I414 HydrophobicContact CG1-CG1 4.21Å; V386-I414 HydrophobicContact CG2-CG1 4.26Å; V386-L417 HydrophobicContact CG2-CD2 3.87Å; V386-I489 HydrophobicContact CB-CD1 4.23Å; V386-I489 HydrophobicContact CG1-CG2 4.22Å; V386-I489 HydrophobicContact CG2-CD1 3.9Å; V386-I489 HydrophobicContact CG2-CG2 4.28Å; V386-V492 HydrophobicContact CG1-CG1 4.37Å; V386-I493 HydrophobicContact CG1-CD1 4.29Å; V386-I493 HydrophobicContact CG1-CG1 3.81Å |
| 387 | C | 96.1 | Very high | 92.1 | Very high | 46 Ų | 46 | 39.2 Ų | 39.2 | 31% | 0.311 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -58.6 | -48.7 | 179.2 | -176.3 | 0 | 0 | 0 | 0 | 112.6 | K383 P384 F385 S391 V492 V496 | K383-C387 WeakPolarHBondContact O-CB 3.39Å; K383-C387 PolarHBondContact O-N 3.45Å; P384-C387 WeakPolarHBondContact O-CB 3.44Å; P384-C387 PolarHBondContact O-N 3.1Å; F385-C387 VanDerWaalsContact C-N 3.34Å; F385-C387 PolarHBondContact O-N 3.48Å; C387-S391 WeakPolarHBondContact O-CB 3.44Å; C387-S391 PolarHBondContact O-N 2.91Å; C387-S391 PolarHBondContact O-OG 2.92Å; C387-V492 HydrophobicContact CB-CG1 3.84Å; C387-V496 HydrophobicContact CB-CG2 4.34Å; C387-V496 VanDerWaalsContact SG-CG2 3.56Å |
| 388 | V | 95.4 | Very high | 91.9 | Very high | 20 Ų | 20 | 48.7 Ų | 48.7 | 12% | 0.121 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -68.2 | -41.8 | 179.4 | -67.6 | 0 | 0 | 0 | 0 | 112.1 | L344 F349 P384 F385 V386 S391 E392 | L344-V388 HydrophobicContact CD2-CG2 3.76Å; F349-V388 HydrophobicContact CD2-CB 3.85Å; F349-V388 HydrophobicContact CD2-CG1 4.41Å; F349-V388 HydrophobicContact CD2-CG2 3.97Å; F349-V388 HydrophobicContact CE2-CB 4.01Å; F349-V388 HydrophobicContact CE2-CG2 3.61Å; F349-V388 HydrophobicContact CG-CB 4.2Å; F349-V388 HydrophobicContact CZ-CG2 4.04Å; P384-V388 WeakPolarHBondContact O-CG2 3.46Å; P384-V388 PolarHBondContact O-N 2.83Å; F385-V388 VanDerWaalsContact O-CG2 3.24Å; F385-V388 WeakPolarHBondContact O-CG2 3.27Å; V386-V388 PolarHBondContact O-N 2.8Å; V388-S391 PolarHBondContact O-N 2.82Å; V388-E392 WeakPolarHBondContact O-CB 3.34Å; V388-E392 PolarHBondContact O-N 3.14Å |
| 389 | L | 95.2 | Very high | 91.9 | Very high | 5 Ų | 5 | 48.6 Ų | 48.6 | 3% | 0.026 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62 | -46 | 177.4 | -74.6 | -179.1 | 0 | 0 | 0 | 112.3 | F349 F385 V386 E393 F409 A410 C413 | F349-L389 HydrophobicContact CE1-CD2 4.03Å; F349-L389 HydrophobicContact CZ-CD2 3.98Å; F385-L389 HydrophobicContact CD1-CD1 4.24Å; F385-L389 HydrophobicContact CD2-CD1 4.04Å; F385-L389 HydrophobicContact CD2-CG 4.31Å; F385-L389 HydrophobicContact CE1-CD1 3.79Å; F385-L389 HydrophobicContact CE2-CD1 3.58Å; F385-L389 HydrophobicContact CE2-CD2 4.46Å; F385-L389 HydrophobicContact CE2-CG 4.07Å; F385-L389 HydrophobicContact CG-CD1 4.36Å; F385-L389 HydrophobicContact CZ-CD1 3.45Å; F385-L389 VanDerWaalsContact CZ-CD1 3.45Å; F385-L389 HydrophobicContact CZ-CG 4.42Å; F385-L389 WeakPolarHBondContact O-CB 3.28Å; F385-L389 VanDerWaalsContact O-CG 3.31Å; F385-L389 WeakPolarHBondContact O-CG 3.45Å; F385-L389 PolarHBondContact O-N 3.12Å; V386-L389 PolarHBondContact O-N 3.36Å; L389-E393 PolarHBondContact O-N 2.69Å; L389-E393 VanDerWaalsContact O-N 3.1Å; L389-F409 HydrophobicContact CD2-CD1 4.15Å; L389-F409 HydrophobicContact CD2-CE1 4.29Å; L389-A410 HydrophobicContact CB-CB 3.76Å; L389-A410 HydrophobicContact CD2-CB 4.26Å; L389-A410 HydrophobicContact CG-CB 4.42Å; L389-C413 HydrophobicContact CD1-CB 3.76Å |
| 390 | C | 95.1 | Very high | 92 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -66.2 | -41 | 177.5 | -76.2 | 0 | 0 | 0 | 0 | 112.2 | V386 E392 E393 I394 F404 I414 V496 | V386-C390 WeakPolarHBondContact O-CB 3.35Å; V386-C390 PolarHBondContact O-N 3.02Å; V386-C390 PolarHBondContact O-SG 3.04Å; C390-E392 VanDerWaalsContact C-N 3.35Å; C390-E393 PolarHBondContact O-N 2.67Å; C390-I394 WeakPolarHBondContact O-CB 3.31Å; C390-I394 WeakPolarHBondContact O-CD1 3.37Å; C390-I394 VanDerWaalsContact O-CG1 3.24Å; C390-I394 WeakPolarHBondContact O-CG1 3.17Å; C390-I394 PolarHBondContact O-N 3.17Å; C390-F404 HydrophobicContact CB-CZ 3.93Å; C390-I414 WeakPolarHBondContact SG-CD1 3.31Å; C390-V496 HydrophobicContact CB-CG1 4.11Å |
| 391 | S | 94.5 | Very high | 91.8 | Very high | 22 Ų | 22 | 46.8 Ų | 46.8 | 15% | 0.154 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.6 | -45.9 | 178.2 | -65.4 | 0 | 0 | 0 | 0 | 111.4 | C387 V388 I394 L395 V496 | C387-S391 WeakPolarHBondContact O-CB 3.44Å; C387-S391 PolarHBondContact O-N 2.91Å; C387-S391 PolarHBondContact O-OG 2.92Å; V388-S391 PolarHBondContact O-N 2.82Å; S391-I394 PolarHBondContact O-N 2.78Å; S391-L395 WeakPolarHBondContact O-CG 3.34Å; S391-L395 PolarHBondContact O-N 3.37Å; S391-V496 WeakPolarHBondContact OG-CG1 3.31Å |
| 392 | E | 91.8 | Very high | 91.5 | Very high | 28 Ų | 28 | 45.7 Ų | 45.7 | 13% | 0.131 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.1 | -44.2 | 178.7 | -173.2 | 63.4 | -147.6 | 0 | 0 | 111.8 | F349 V388 C390 I394 L395 Q396 | F349-E392 HydrophobicContact CD1-CB 3.92Å; F349-E392 HydrophobicContact CD1-CG 4.03Å; F349-E392 HydrophobicContact CE1-CB 4.48Å; V388-E392 WeakPolarHBondContact O-CB 3.34Å; V388-E392 PolarHBondContact O-N 3.14Å; C390-E392 VanDerWaalsContact C-N 3.35Å; E392-I394 VanDerWaalsContact C-N 3.35Å; E392-I394 PolarHBondContact O-N 2.87Å; E392-L395 PolarHBondContact O-N 2.86Å; E392-Q396 WeakPolarHBondContact O-CG 3.45Å; E392-Q396 PolarHBondContact O-N 3.21Å; E392-Q396 PolarHBondContact OE1-NE2 2.72Å |
| 393 | E | 92.2 | Very high | 91.4 | Very high | 25 Ų | 25 | 45.7 Ų | 45.7 | 12% | 0.117 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65.7 | -37 | 178.5 | -175.8 | 164.9 | 174.3 | 0 | 0 | 112.3 | L389 C390 Q396 C397 F404 S408 A410 | L389-E393 PolarHBondContact O-N 2.69Å; L389-E393 VanDerWaalsContact O-N 3.1Å; C390-E393 PolarHBondContact O-N 2.67Å; E393-Q396 PolarHBondContact O-N 3.09Å; E393-C397 WeakPolarHBondContact O-CB 3.5Å; E393-C397 PolarHBondContact O-N 3.45Å; E393-C397 VanDerWaalsContact O-N 3.14Å; E393-F404 HydrophobicContact CB-CD1 4.46Å; E393-F404 HydrophobicContact CB-CE1 3.7Å; E393-F404 HydrophobicContact CB-CZ 4.1Å; E393-F404 HydrophobicContact CG-CD1 3.95Å; E393-F404 HydrophobicContact CG-CE1 3.68Å; E393-F404 HydrophobicContact CG-CZ 4.27Å; E393-F404 WeakPolarHBondContact OE1-CA 3.43Å; E393-F404 VanDerWaalsContact OE1-CD1 3.27Å; E393-F404 WeakPolarHBondContact OE1-CD1 3.31Å; E393-F404 WeakPolarHBondContact OE2-CD1 3.46Å; E393-F404 WeakPolarHBondContact OE2-CE1 3.23Å; E393-S408 PolarHBondContact OE1-OG 3.37Å; E393-S408 VanDerWaalsContact OE1-OG 3.05Å; E393-S408 WeakPolarHBondContact OE2-CB 3.39Å; E393-S408 PolarHBondContact OE2-OG 2.96Å; E393-A410 HydrophobicContact CB-CB 4.37Å; E393-A410 VanDerWaalsContact OE2-CB 3.24Å; E393-A410 WeakPolarHBondContact OE2-CB 3.42Å |
| 394 | I | 93.4 | Very high | 91.2 | Very high | 6 Ų | 6 | 41.9 Ų | 41.9 | 3% | 0.031 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.3 | -43.1 | 175 | -70.1 | 162.4 | 0 | 0 | 0 | 110.9 | C390 S391 E392 Q396 C397 L403 F404 V496 Y500 Y501 | C390-I394 WeakPolarHBondContact O-CB 3.31Å; C390-I394 WeakPolarHBondContact O-CD1 3.37Å; C390-I394 VanDerWaalsContact O-CG1 3.24Å; C390-I394 WeakPolarHBondContact O-CG1 3.17Å; C390-I394 PolarHBondContact O-N 3.17Å; S391-I394 PolarHBondContact O-N 2.78Å; E392-I394 VanDerWaalsContact C-N 3.35Å; E392-I394 PolarHBondContact O-N 2.87Å; I394-Q396 VanDerWaalsContact C-N 3.32Å; I394-Q396 PolarHBondContact O-N 3.43Å; I394-C397 PolarHBondContact O-N 3.22Å; I394-L403 HydrophobicContact CB-CD1 4.39Å; I394-L403 HydrophobicContact CG1-CD1 3.78Å; I394-L403 HydrophobicContact CG1-CD2 4.2Å; I394-F404 HydrophobicContact CD1-CE2 4.33Å; I394-F404 HydrophobicContact CD1-CZ 4.49Å; I394-F404 HydrophobicContact CG1-CE2 3.98Å; I394-F404 HydrophobicContact CG1-CZ 4.13Å; I394-V496 HydrophobicContact CD1-CG1 3.88Å; I394-Y500 HydrophobicContact CB-CD2 4.25Å; I394-Y500 HydrophobicContact CD1-CD2 4.01Å; I394-Y500 HydrophobicContact CG2-CD1 4.1Å; I394-Y500 HydrophobicContact CG2-CD2 3.73Å; I394-Y500 HydrophobicContact CG2-CE2 4.38Å; I394-Y500 HydrophobicContact CG2-CG 3.59Å; I394-Y501 HydrophobicContact CG2-CE2 3.87Å |
| 395 | L | 90.6 | Very high | 90.6 | Very high | 111 Ų | 111 | 44 Ų | 44 | 58% | 0.581 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -63.8 | -35.4 | 178.5 | -75.8 | 169.9 | 0 | 0 | 0 | 112.9 | S391 E392 Y500 | S391-L395 WeakPolarHBondContact O-CG 3.34Å; S391-L395 PolarHBondContact O-N 3.37Å; E392-L395 PolarHBondContact O-N 2.86Å; L395-Y500 HydrophobicContact CD2-CD1 4.4Å; L395-Y500 HydrophobicContact CD2-CE1 3.6Å; L395-Y500 HydrophobicContact CG-CE1 3.93Å |
| 396 | Q | 86 | Confident | 90 | Very high | 113 Ų | 113 | 49 Ų | 49 | 53% | 0.528 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -82.5 | -13.4 | 179.1 | -67.1 | -178 | 9.8 | 0 | 0 | 113.6 | E392 E393 I394 | E392-Q396 WeakPolarHBondContact O-CG 3.45Å; E392-Q396 PolarHBondContact O-N 3.21Å; E392-Q396 PolarHBondContact OE1-NE2 2.72Å; E393-Q396 PolarHBondContact O-N 3.09Å; I394-Q396 VanDerWaalsContact C-N 3.32Å; I394-Q396 PolarHBondContact O-N 3.43Å |
| 397 | C | 88.3 | Confident | 89.5 | Confident | 29 Ų | 29 | 54.8 Ų | 54.8 | 20% | 0.196 | 29% | 0.291 | C | S | . | . | trans | -78.9 | 122.8 | -174.8 | -172 | 0 | 0 | 0 | 0 | 111.9 | E393 I394 D399 L403 | E393-C397 WeakPolarHBondContact O-CB 3.5Å; E393-C397 PolarHBondContact O-N 3.45Å; E393-C397 VanDerWaalsContact O-N 3.14Å; I394-C397 PolarHBondContact O-N 3.22Å; C397-D399 PolarHBondContact SG-O 3.07Å; C397-L403 HydrophobicContact CB-CD1 3.78Å | ||
| 398 | Q | 86.8 | Confident | 89.2 | Confident | 201 Ų | 201 | 54.1 Ų | 54.1 | 94% | 0.939 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -84 | -37.9 | 179.3 | -64.1 | 179.9 | -2.1 | 0 | 0 | 113.3 | ||
| 399 | D | 87.8 | Confident | 89.1 | Confident | 72 Ų | 72 | 54.5 Ų | 54.5 | 39% | 0.385 | 29% | 0.287 | S | S | . | . | trans | -118.7 | 120.5 | 178.8 | 176.6 | 12.4 | 0 | 0 | 0 | 110.8 | C397 N401 T402 L403 | C397-D399 PolarHBondContact SG-O 3.07Å; D399-N401 PolarHBondContact O-N 2.99Å; D399-N401 VanDerWaalsContact O-N 3.11Å; D399-N401 PolarHBondContact OD1-N 3.26Å; D399-N401 PolarHBondContact OD1-ND2 3.38Å; D399-T402 HydrophobicContact CB-CG2 4.12Å; D399-T402 WeakPolarHBondContact O-CA 3.43Å; D399-T402 PolarHBondContact O-N 3.43Å; D399-T402 PolarHBondContact O-OG1 2.89Å; D399-L403 PolarHBondContact O-N 3.36Å | ||
| 400 | V | 87.5 | Confident | 89 | Confident | 31 Ų | 31 | 54.7 Ų | 54.7 | 19% | 0.188 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -52.9 | -33 | 177 | -177.3 | 0 | 0 | 0 | 0 | 112.3 | T402 L403 Y501 V507 L510 | V400-T402 PolarHBondContact O-N 2.93Å; V400-L403 VanDerWaalsContact O-CB 3.23Å; V400-L403 WeakPolarHBondContact O-CB 3.41Å; V400-L403 PolarHBondContact O-N 3.4Å; V400-Y501 HydrophobicContact CG2-CE1 3.86Å; V400-V507 HydrophobicContact CG1-CB 4.25Å; V400-V507 HydrophobicContact CG1-CG1 3.7Å; V400-V507 HydrophobicContact CG1-CG2 3.46Å; V400-V507 VanDerWaalsContact CG1-CG2 3.46Å; V400-L510 VanDerWaalsContact O-CD2 3.29Å; V400-L510 WeakPolarHBondContact O-CD2 3.49Å |
| 401 | N | 83.2 | Confident | 88.9 | Confident | 49 Ų | 49 | 54.8 Ų | 54.8 | 26% | 0.262 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | -71.3 | -15.8 | 178.1 | -57.9 | -79.4 | 0 | 0 | 0 | 113.2 | D399 R405 R564 | D399-N401 PolarHBondContact O-N 2.99Å; D399-N401 VanDerWaalsContact O-N 3.11Å; D399-N401 PolarHBondContact OD1-N 3.26Å; D399-N401 PolarHBondContact OD1-ND2 3.38Å; N401-R405 WeakPolarHBondContact O-CD 3.46Å; N401-R405 PolarHBondContact O-NH1 3.06Å; N401-R564 PolarHBondContact OD1-NH2 2.93Å |
| 402 | T | 85.5 | Confident | 88.9 | Confident | 53 Ų | 53 | 57.7 Ų | 57.7 | 33% | 0.325 | 30% | 0.297 | S | S | . | . | G | 310 helix | trans | -99.7 | -4.9 | 176.9 | 67.5 | 0 | 0 | 0 | 0 | 112.9 | D399 V400 F404 R405 | D399-T402 HydrophobicContact CB-CG2 4.12Å; D399-T402 WeakPolarHBondContact O-CA 3.43Å; D399-T402 PolarHBondContact O-N 3.43Å; D399-T402 PolarHBondContact O-OG1 2.89Å; V400-T402 PolarHBondContact O-N 2.93Å; T402-F404 PolarHBondContact O-N 3.29Å; T402-R405 WeakPolarHBondContact O-CB 3.17Å; T402-R405 PolarHBondContact O-N 3.48Å |
| 403 | L | 89.4 | Confident | 89.1 | Confident | 1 Ų | 1 | 56.4 Ų | 56.4 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | 122.9 | -177 | -176.7 | 61.2 | 0 | 0 | 0 | 111.2 | I394 C397 D399 V400 R405 Y501 V507 V511 | I394-L403 HydrophobicContact CB-CD1 4.39Å; I394-L403 HydrophobicContact CG1-CD1 3.78Å; I394-L403 HydrophobicContact CG1-CD2 4.2Å; C397-L403 HydrophobicContact CB-CD1 3.78Å; D399-L403 PolarHBondContact O-N 3.36Å; V400-L403 VanDerWaalsContact O-CB 3.23Å; V400-L403 WeakPolarHBondContact O-CB 3.41Å; V400-L403 PolarHBondContact O-N 3.4Å; L403-R405 PolarHBondContact O-N 2.92Å; L403-Y501 HydrophobicContact CD2-CE2 4.43Å; L403-V507 HydrophobicContact CD2-CG1 4.16Å; L403-V511 HydrophobicContact CD2-CG2 3.56Å; L403-V511 HydrophobicContact CG-CG2 4.07Å |
| 404 | F | 89.1 | Confident | 89.2 | Confident | 1 Ų | 1 | 55.2 Ų | 55.2 | 0% | 0.004 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 50.3 | 22.8 | -172 | -57.6 | -73.4 | 0 | 0 | 0 | 114.3 | C390 E393 I394 T402 V511 S514 F515 R519 | C390-F404 HydrophobicContact CB-CZ 3.93Å; E393-F404 HydrophobicContact CB-CD1 4.46Å; E393-F404 HydrophobicContact CB-CE1 3.7Å; E393-F404 HydrophobicContact CB-CZ 4.1Å; E393-F404 HydrophobicContact CG-CD1 3.95Å; E393-F404 HydrophobicContact CG-CE1 3.68Å; E393-F404 HydrophobicContact CG-CZ 4.27Å; E393-F404 WeakPolarHBondContact OE1-CA 3.43Å; E393-F404 VanDerWaalsContact OE1-CD1 3.27Å; E393-F404 WeakPolarHBondContact OE1-CD1 3.31Å; E393-F404 WeakPolarHBondContact OE2-CD1 3.46Å; E393-F404 WeakPolarHBondContact OE2-CE1 3.23Å; I394-F404 HydrophobicContact CD1-CE2 4.33Å; I394-F404 HydrophobicContact CD1-CZ 4.49Å; I394-F404 HydrophobicContact CG1-CE2 3.98Å; I394-F404 HydrophobicContact CG1-CZ 4.13Å; T402-F404 PolarHBondContact O-N 3.29Å; F404-V511 HydrophobicContact CD2-CB 4.2Å; F404-V511 HydrophobicContact CD2-CG1 3.43Å; F404-V511 VanDerWaalsContact CD2-CG1 3.43Å; F404-V511 HydrophobicContact CD2-CG2 3.81Å; F404-V511 HydrophobicContact CE2-CG1 3.68Å; F404-V511 HydrophobicContact CE2-CG2 4.11Å; F404-V511 HydrophobicContact CG-CG1 4.37Å; F404-S514 PolarHBondContact O-OG 3.22Å; F404-F515 HydrophobicContact CB-CE2 4.02Å; F404-F515 HydrophobicContact CB-CZ 3.97Å; F404-F515 AromaticContact CD1-CE2 3.87Å; F404-F515 HydrophobicContact CD1-CE2 3.87Å; F404-F515 AromaticContact CD1-CZ 3.48Å; F404-F515 HydrophobicContact CD1-CZ 3.48Å; F404-F515 VanDerWaalsContact CD1-CZ 3.48Å; F404-F515 HydrophobicContact CD2-CE2 4.06Å; F404-F515 HydrophobicContact CD2-CZ 4.49Å; F404-F515 HydrophobicContact CE1-CE2 4.36Å; F404-F515 HydrophobicContact CE1-CZ 4.07Å; F404-F515 AromaticContact CG-CE2 3.72Å; F404-F515 HydrophobicContact CG-CE2 3.72Å; F404-F515 AromaticContact CG-CZ 3.74Å; F404-F515 HydrophobicContact CG-CZ 3.74Å; F404-R519 PolarHBondContact O-NH1 2.92Å; F404-R519 PolarHBondContact O-NH2 3.13Å |
| 405 | R | 82.9 | Confident | 89.3 | Confident | 108 Ų | 108 | 56.3 Ų | 56.3 | 41% | 0.408 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | -25.3 | 171.7 | -72.4 | -162.9 | 167.2 | 149.7 | -11.9 | 112.5 | N401 T402 L403 R519 N558 | N401-R405 WeakPolarHBondContact O-CD 3.46Å; N401-R405 PolarHBondContact O-NH1 3.06Å; T402-R405 WeakPolarHBondContact O-CB 3.17Å; T402-R405 PolarHBondContact O-N 3.48Å; L403-R405 PolarHBondContact O-N 2.92Å; R405-R519 PolarHBondContact O-NH2 3.29Å; R405-N558 PolarHBondContact NH2-OD1 3.35Å |
| 406 | N | 83.1 | Confident | 89.4 | Confident | 106 Ų | 106 | 52 Ų | 52 | 57% | 0.567 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -79 | 159.2 | 177.3 | -63.6 | -22.8 | 0 | 0 | 0 | 111.5 | S408 S411 R519 | N406-S408 VanDerWaalsContact C-N 3.3Å; N406-S408 PolarHBondContact O-N 2.98Å; N406-S408 VanDerWaalsContact O-N 3.09Å; N406-S411 PolarHBondContact O-OG 2.93Å; N406-R519 PolarHBondContact O-NH2 2.7Å |
| 407 | C | 85.6 | Confident | 89.8 | Confident | 124 Ų | 124 | 46.8 Ų | 46.8 | 84% | 0.838 | 24% | 0.243 | S | C | * | . | trans | -81.9 | 76.7 | 171.6 | -64.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 408 | S | 90.8 | Very high | 90 | Very high | 31 Ų | 31 | 45.4 Ų | 45.4 | 22% | 0.217 | 23% | 0.234 | C | C | . | . | trans | -84.2 | 162.9 | 172.5 | 67.6 | 0 | 0 | 0 | 0 | 111.8 | E393 N406 A410 S411 R412 | E393-S408 PolarHBondContact OE1-OG 3.37Å; E393-S408 VanDerWaalsContact OE1-OG 3.05Å; E393-S408 WeakPolarHBondContact OE2-CB 3.39Å; E393-S408 PolarHBondContact OE2-OG 2.96Å; N406-S408 VanDerWaalsContact C-N 3.3Å; N406-S408 PolarHBondContact O-N 2.98Å; N406-S408 VanDerWaalsContact O-N 3.09Å; S408-A410 VanDerWaalsContact C-N 3.34Å; S408-A410 PolarHBondContact O-N 3.39Å; S408-S411 PolarHBondContact N-OG 2.98Å; S408-S411 PolarHBondContact O-N 3.05Å; S408-S411 PolarHBondContact O-OG 3.01Å; S408-S411 WeakPolarHBondContact OG-CB 3.44Å; S408-S411 PolarHBondContact OG-N 3.03Å; S408-S411 PolarHBondContact OG-OG 2.71Å; S408-R412 WeakPolarHBondContact O-CB 3.37Å; S408-R412 PolarHBondContact O-N 3.1Å | ||
| 409 | F | 92.1 | Very high | 90.2 | Very high | 29 Ų | 29 | 39 Ų | 39 | 13% | 0.127 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -56.5 | -46.2 | 171.9 | -176.5 | -99.4 | 0 | 0 | 0 | 112.1 | I368 V369 L372 L389 R412 C413 | I368-F409 HydrophobicContact CG2-CE2 4.42Å; V369-F409 HydrophobicContact CG2-CD2 3.92Å; V369-F409 HydrophobicContact CG2-CE2 3.62Å; V369-F409 HydrophobicContact CG2-CZ 4.28Å; L372-F409 HydrophobicContact CD1-CZ 3.81Å; L389-F409 HydrophobicContact CD2-CD1 4.15Å; L389-F409 HydrophobicContact CD2-CE1 4.29Å; F409-R412 WeakPolarHBondContact O-CB 3.18Å; F409-R412 PolarHBondContact O-N 3.22Å; F409-C413 PolarHBondContact O-N 3.19Å; F409-C413 PolarHBondContact O-SG 2.86Å |
| 410 | A | 93.6 | Very high | 90.2 | Very high | 8 Ų | 8 | 37.2 Ų | 37.2 | 7% | 0.066 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.3 | -46.4 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | L389 E393 S408 R412 C413 I414 | L389-A410 HydrophobicContact CB-CB 3.76Å; L389-A410 HydrophobicContact CD2-CB 4.26Å; L389-A410 HydrophobicContact CG-CB 4.42Å; E393-A410 HydrophobicContact CB-CB 4.37Å; E393-A410 VanDerWaalsContact OE2-CB 3.24Å; E393-A410 WeakPolarHBondContact OE2-CB 3.42Å; S408-A410 VanDerWaalsContact C-N 3.34Å; S408-A410 PolarHBondContact O-N 3.39Å; A410-R412 PolarHBondContact O-N 3.45Å; A410-C413 PolarHBondContact O-N 3.07Å; A410-I414 WeakPolarHBondContact O-CG1 3.5Å; A410-I414 PolarHBondContact O-N 3.42Å |
| 411 | S | 93.4 | Very high | 90.3 | Very high | 3 Ų | 3 | 36.1 Ų | 36.1 | 2% | 0.021 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.5 | -31.8 | 176.3 | 74.5 | 0 | 0 | 0 | 0 | 112.7 | N406 S408 F415 | N406-S411 PolarHBondContact O-OG 2.93Å; S408-S411 PolarHBondContact N-OG 2.98Å; S408-S411 PolarHBondContact O-N 3.05Å; S408-S411 PolarHBondContact O-OG 3.01Å; S408-S411 WeakPolarHBondContact OG-CB 3.44Å; S408-S411 PolarHBondContact OG-N 3.03Å; S408-S411 PolarHBondContact OG-OG 2.71Å; S411-F415 VanDerWaalsContact O-CB 3.28Å; S411-F415 WeakPolarHBondContact O-CB 3.33Å; S411-F415 PolarHBondContact O-N 2.86Å |
| 412 | R | 93.8 | Very high | 90.5 | Very high | 82 Ų | 82 | 33.8 Ų | 33.8 | 31% | 0.309 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -70.9 | -44.4 | 175.9 | -169 | 69.4 | -179.9 | 134.3 | 16.7 | 111.6 | D366 V369 S408 F409 A410 I414 F415 E416 | D366-R412 IonicContact OD1-NE 2.79Å; V369-R412 HydrophobicContact CB-CG 4.34Å; V369-R412 HydrophobicContact CG1-CG 4.04Å; V369-R412 HydrophobicContact CG2-CB 4.33Å; V369-R412 HydrophobicContact CG2-CG 3.97Å; S408-R412 WeakPolarHBondContact O-CB 3.37Å; S408-R412 PolarHBondContact O-N 3.1Å; F409-R412 WeakPolarHBondContact O-CB 3.18Å; F409-R412 PolarHBondContact O-N 3.22Å; A410-R412 PolarHBondContact O-N 3.45Å; R412-I414 PolarHBondContact O-N 2.98Å; R412-F415 WeakPolarHBondContact O-CB 3.48Å; R412-F415 PolarHBondContact O-N 3.24Å; R412-E416 IonicContact CZ-OE1 3.12Å; R412-E416 IonicContact NH1-OE1 2.84Å; R412-E416 PolarHBondContact NH1-OE1 2.55Å; R412-E416 VanDerWaalsContact NH1-OE1 3.15Å; R412-E416 IonicContact NH2-OE1 3.71Å; R412-E416 PolarHBondContact NH2-OE1 3.24Å; R412-E416 PolarHBondContact O-N 3.09Å |
| 413 | C | 95.6 | Very high | 90.4 | Very high | 2 Ų | 2 | 33.9 Ų | 33.9 | 1% | 0.014 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -57.7 | -47.7 | 173.5 | -70.7 | 0 | 0 | 0 | 0 | 111.9 | V369 V373 F385 L389 F409 A410 F415 E416 L417 | V369-C413 HydrophobicContact CG1-CB 4.33Å; V373-C413 HydrophobicContact CG2-CB 4.02Å; V373-C413 WeakPolarHBondContact CG2-O 3.17Å; F385-C413 HydrophobicContact CE1-CB 4.16Å; F385-C413 HydrophobicContact CZ-CB 4.22Å; L389-C413 HydrophobicContact CD1-CB 3.76Å; F409-C413 PolarHBondContact O-N 3.19Å; F409-C413 PolarHBondContact O-SG 2.86Å; A410-C413 PolarHBondContact O-N 3.07Å; C413-F415 VanDerWaalsContact C-N 3.34Å; C413-F415 PolarHBondContact O-N 3.05Å; C413-E416 PolarHBondContact O-N 3.44Å; C413-L417 WeakPolarHBondContact O-CB 3.19Å; C413-L417 PolarHBondContact O-N 2.83Å |
| 414 | I | 95.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -67.4 | -37.4 | 179.8 | -62.3 | 165 | 0 | 0 | 0 | 110.8 | V386 C390 A410 R412 L417 M418 I493 F515 | V386-I414 HydrophobicContact CG1-CD1 4.07Å; V386-I414 HydrophobicContact CG1-CG1 4.21Å; V386-I414 HydrophobicContact CG2-CG1 4.26Å; C390-I414 WeakPolarHBondContact SG-CD1 3.31Å; A410-I414 WeakPolarHBondContact O-CG1 3.5Å; A410-I414 PolarHBondContact O-N 3.42Å; R412-I414 PolarHBondContact O-N 2.98Å; I414-L417 PolarHBondContact O-N 3.15Å; I414-M418 HydrophobicContact CG2-CE 4.39Å; I414-M418 HydrophobicContact CG2-CG 4.49Å; I414-M418 WeakPolarHBondContact O-CG 3.49Å; I414-M418 PolarHBondContact O-N 3.31Å; I414-I493 HydrophobicContact CD1-CD1 4.37Å; I414-I493 HydrophobicContact CG2-CD1 4.08Å; I414-F515 HydrophobicContact CB-CD1 4.15Å; I414-F515 HydrophobicContact CB-CE1 3.69Å; I414-F515 HydrophobicContact CB-CZ 4.21Å; I414-F515 HydrophobicContact CD1-CE1 3.98Å; I414-F515 HydrophobicContact CD1-CE2 4.22Å; I414-F515 HydrophobicContact CD1-CZ 3.58Å; I414-F515 HydrophobicContact CG1-CE1 4.45Å; I414-F515 HydrophobicContact CG2-CD1 3.56Å; I414-F515 HydrophobicContact CG2-CE1 3.58Å; I414-F515 HydrophobicContact CG2-CG 4.1Å; I414-F515 HydrophobicContact CG2-CZ 4.12Å |
| 415 | F | 94.3 | Very high | 90.1 | Very high | 29 Ų | 29 | 38.4 Ų | 38.4 | 13% | 0.127 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.3 | -51.1 | 173.5 | 169.3 | -93.1 | 0 | 0 | 0 | 112.5 | S411 R412 C413 L417 M418 K419 R519 A523 F531 | S411-F415 VanDerWaalsContact O-CB 3.28Å; S411-F415 WeakPolarHBondContact O-CB 3.33Å; S411-F415 PolarHBondContact O-N 2.86Å; R412-F415 WeakPolarHBondContact O-CB 3.48Å; R412-F415 PolarHBondContact O-N 3.24Å; C413-F415 VanDerWaalsContact C-N 3.34Å; C413-F415 PolarHBondContact O-N 3.05Å; F415-L417 VanDerWaalsContact C-N 3.29Å; F415-L417 PolarHBondContact O-N 3.33Å; F415-M418 PolarHBondContact O-N 2.95Å; F415-K419 HydrophobicContact CE1-CD 4.36Å; F415-K419 HydrophobicContact CZ-CD 4.46Å; F415-K419 WeakPolarHBondContact O-CB 3.39Å; F415-K419 PolarHBondContact O-N 3.05Å; F415-R519 HydrophobicContact CD2-CB 4.1Å; F415-R519 WeakPolarHBondContact CD2-O 3.38Å; F415-R519 WeakPolarHBondContact CE2-O 3.36Å; F415-A523 HydrophobicContact CE2-CB 4.49Å; F415-F531 HydrophobicContact CE2-CZ 4.02Å; F415-F531 HydrophobicContact CZ-CZ 4Å |
| 416 | E | 93.1 | Very high | 90.4 | Very high | 21 Ų | 21 | 33.3 Ų | 33.3 | 10% | 0.098 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.8 | -34.2 | 179.4 | -69.4 | -58.2 | 153.8 | 0 | 0 | 111.6 | V369 L370 R412 C413 K419 L420 | V369-E416 HydrophobicContact CG1-CB 4.18Å; V369-E416 HydrophobicContact CG1-CG 3.9Å; L370-E416 HydrophobicContact CD1-CB 4.3Å; R412-E416 IonicContact CZ-OE1 3.12Å; R412-E416 IonicContact NH1-OE1 2.84Å; R412-E416 PolarHBondContact NH1-OE1 2.55Å; R412-E416 VanDerWaalsContact NH1-OE1 3.15Å; R412-E416 IonicContact NH2-OE1 3.71Å; R412-E416 PolarHBondContact NH2-OE1 3.24Å; R412-E416 PolarHBondContact O-N 3.09Å; C413-E416 PolarHBondContact O-N 3.44Å; E416-K419 PolarHBondContact O-N 3.05Å; E416-L420 VanDerWaalsContact O-CB 3.27Å; E416-L420 WeakPolarHBondContact O-CB 3.42Å; E416-L420 PolarHBondContact O-N 2.99Å |
| 417 | L | 94.1 | Very high | 90.7 | Very high | 3 Ų | 3 | 30.7 Ų | 30.7 | 2% | 0.016 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.5 | -48.4 | 172.1 | 176.7 | 61.6 | 0 | 0 | 0 | 112.1 | V373 V377 V382 V386 C413 I414 F415 K419 L420 V421 I489 | V373-L417 HydrophobicContact CG1-CB 3.77Å; V373-L417 HydrophobicContact CG1-CD1 4.01Å; V373-L417 HydrophobicContact CG1-CG 4.49Å; V377-L417 HydrophobicContact CG2-CD1 3.48Å; V377-L417 VanDerWaalsContact CG2-CD1 3.48Å; V382-L417 HydrophobicContact CG2-CD1 3.8Å; V382-L417 HydrophobicContact CG2-CD2 3.5Å; V382-L417 VanDerWaalsContact CG2-CD2 3.5Å; V382-L417 HydrophobicContact CG2-CG 4.31Å; V386-L417 HydrophobicContact CG2-CD2 3.87Å; C413-L417 WeakPolarHBondContact O-CB 3.19Å; C413-L417 PolarHBondContact O-N 2.83Å; I414-L417 PolarHBondContact O-N 3.15Å; F415-L417 VanDerWaalsContact C-N 3.29Å; F415-L417 PolarHBondContact O-N 3.33Å; L417-K419 VanDerWaalsContact C-N 3.3Å; L417-K419 PolarHBondContact O-N 3.32Å; L417-L420 PolarHBondContact O-N 2.83Å; L417-V421 HydrophobicContact CD1-CG2 3.78Å; L417-V421 WeakPolarHBondContact O-CG2 3.07Å; L417-V421 PolarHBondContact O-N 3.32Å; L417-I489 HydrophobicContact CD2-CD1 4.15Å; L417-I489 HydrophobicContact CD2-CG1 4Å; L417-I489 HydrophobicContact CD2-CG2 4.15Å |
| 418 | M | 93.5 | Very high | 90.9 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61 | -40.1 | 175.7 | -71.1 | -171.6 | -62.7 | 0 | 0 | 111.8 | I414 F415 G422 L486 F490 F515 R519 F520 | I414-M418 HydrophobicContact CG2-CE 4.39Å; I414-M418 HydrophobicContact CG2-CG 4.49Å; I414-M418 WeakPolarHBondContact O-CG 3.49Å; I414-M418 PolarHBondContact O-N 3.31Å; F415-M418 PolarHBondContact O-N 2.95Å; M418-G422 WeakPolarHBondContact O-CA 3.22Å; M418-G422 PolarHBondContact O-N 2.93Å; M418-L486 HydrophobicContact CB-CD2 4.38Å; M418-L486 HydrophobicContact CG-CD2 3.99Å; M418-F490 HydrophobicContact CG-CE1 4.38Å; M418-F490 HydrophobicContact CG-CZ 4.29Å; M418-F490 HydrophobicContact SD-CE1 3.75Å; M418-F490 HydrophobicContact SD-CZ 3.88Å; M418-F515 HydrophobicContact CE-CB 3.87Å; M418-F515 HydrophobicContact CE-CD1 3.91Å; M418-F515 HydrophobicContact CE-CG 4.36Å; M418-F515 WeakPolarHBondContact CE-O 3.36Å; M418-F515 HydrophobicContact SD-CB 3.93Å; M418-R519 HydrophobicContact CE-CB 4.19Å; M418-F520 HydrophobicContact CB-CD2 3.95Å; M418-F520 HydrophobicContact CB-CE2 4.28Å; M418-F520 HydrophobicContact CE-CB 4.33Å; M418-F520 WeakPolarHBondContact O-CE2 3.2Å; M418-F520 HydrophobicContact SD-CB 4.27Å |
| 419 | K | 91 | Very high | 90.9 | Very high | 66 Ų | 66 | 26.4 Ų | 26.4 | 29% | 0.287 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -65.9 | -42.2 | 177.5 | -170.8 | 178.7 | -179.6 | -178.2 | 0 | 111.9 | F415 E416 L417 S423 S530 F531 | F415-K419 HydrophobicContact CE1-CD 4.36Å; F415-K419 HydrophobicContact CZ-CD 4.46Å; F415-K419 WeakPolarHBondContact O-CB 3.39Å; F415-K419 PolarHBondContact O-N 3.05Å; E416-K419 PolarHBondContact O-N 3.05Å; L417-K419 VanDerWaalsContact C-N 3.3Å; L417-K419 PolarHBondContact O-N 3.32Å; K419-S423 PolarHBondContact O-N 3.09Å; K419-S530 VanDerWaalsContact CE-O 3.3Å; K419-S530 WeakPolarHBondContact CE-O 3.33Å; K419-S530 PolarHBondContact NZ-O 3.23Å; K419-S530 VanDerWaalsContact NZ-O 3.08Å; K419-F531 HydrophobicContact CD-CE1 4.36Å; K419-F531 HydrophobicContact CG-CD1 4.31Å; K419-F531 HydrophobicContact CG-CE1 4.16Å |
| 420 | L | 88.3 | Confident | 91 | Very high | 34 Ų | 34 | 25 Ų | 25 | 18% | 0.178 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -64.4 | -55.6 | 178.7 | 179.6 | 64.8 | 0 | 0 | 0 | 111.4 | V373 R374 V377 E416 L417 F738 I740 | V373-L420 HydrophobicContact CG1-CD2 4.37Å; R374-L420 HydrophobicContact CG-CD2 3.94Å; V377-L420 HydrophobicContact CG2-CD2 4.45Å; E416-L420 VanDerWaalsContact O-CB 3.27Å; E416-L420 WeakPolarHBondContact O-CB 3.42Å; E416-L420 PolarHBondContact O-N 2.99Å; L417-L420 PolarHBondContact O-N 2.83Å; L420-F738 HydrophobicContact CD1-CD1 4.44Å; L420-F738 HydrophobicContact CG-CD1 4.36Å; L420-I740 HydrophobicContact CD2-CD1 4.4Å |
| 421 | V | 89 | Confident | 90.9 | Very high | 9 Ų | 9 | 28 Ų | 28 | 6% | 0.055 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -79.3 | -32.9 | -173.8 | -179.4 | 0 | 0 | 0 | 0 | 112.1 | L417 P483 L485 L486 F738 | L417-V421 HydrophobicContact CD1-CG2 3.78Å; L417-V421 WeakPolarHBondContact O-CG2 3.07Å; L417-V421 PolarHBondContact O-N 3.32Å; V421-P483 HydrophobicContact CG1-CB 4.09Å; V421-L485 HydrophobicContact CG1-CB 4.14Å; V421-L485 HydrophobicContact CG1-CD2 4.26Å; V421-L485 HydrophobicContact CG1-CG 4.5Å; V421-L485 HydrophobicContact CG2-CD2 3.86Å; V421-L486 HydrophobicContact CB-CD1 4.25Å; V421-L486 HydrophobicContact CB-CD2 4.17Å; V421-L486 HydrophobicContact CB-CG 4Å; V421-L486 HydrophobicContact CG1-CD1 4.05Å; V421-L486 HydrophobicContact CG1-CD2 4.32Å; V421-L486 HydrophobicContact CG1-CG 3.66Å; V421-F738 HydrophobicContact CB-CE1 4.48Å; V421-F738 HydrophobicContact CB-CZ 4.1Å; V421-F738 HydrophobicContact CG1-CZ 3.95Å; V421-F738 HydrophobicContact CG2-CE1 4.4Å; V421-F738 HydrophobicContact CG2-CE2 4.3Å; V421-F738 HydrophobicContact CG2-CZ 3.9Å |
| 422 | G | 86.9 | Confident | 90.9 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -93.2 | 1.3 | -172.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | M418 Q424 Y425 L426 | M418-G422 WeakPolarHBondContact O-CA 3.22Å; M418-G422 PolarHBondContact O-N 2.93Å; G422-Q424 PolarHBondContact O-N 2.74Å; G422-Y425 WeakPolarHBondContact O-CB 3.48Å; G422-Y425 PolarHBondContact O-N 3.26Å; G422-L426 WeakPolarHBondContact O-CB 3.41Å; G422-L426 PolarHBondContact O-N 2.86Å |
| 423 | S | 83.9 | Confident | 90.9 | Very high | 54 Ų | 54 | 27.1 Ų | 27.1 | 38% | 0.378 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -51.4 | -51.8 | -175.2 | 57.5 | 0 | 0 | 0 | 0 | 113.1 | K419 L426 V427 | K419-S423 PolarHBondContact O-N 3.09Å; S423-L426 WeakPolarHBondContact O-CB 3.4Å; S423-L426 PolarHBondContact O-N 2.92Å; S423-V427 VanDerWaalsContact O-CG2 3.31Å; S423-V427 WeakPolarHBondContact O-CG2 3.38Å; S423-V427 PolarHBondContact O-N 2.93Å; S423-V427 VanDerWaalsContact O-N 3.07Å |
| 424 | Q | 82.5 | Confident | 90.8 | Very high | 87 Ų | 87 | 27 Ų | 27 | 41% | 0.407 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -68.4 | -41.3 | 178.9 | -63.6 | -174.8 | 3.3 | 0 | 0 | 112.6 | G422 L426 V427 A428 S611 | G422-Q424 PolarHBondContact O-N 2.74Å; Q424-L426 VanDerWaalsContact C-N 3.26Å; Q424-L426 PolarHBondContact O-N 2.81Å; Q424-V427 PolarHBondContact O-N 2.84Å; Q424-A428 WeakPolarHBondContact O-CB 3.27Å; Q424-A428 PolarHBondContact O-N 2.72Å; Q424-S611 VanDerWaalsContact OE1-CB 3.28Å |
| 425 | Y | 89 | Confident | 90.6 | Very high | 10 Ų | 10 | 29.6 Ų | 29.6 | 4% | 0.039 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -57.3 | -42 | 175.6 | 168.2 | -118.3 | 0 | 0 | 0 | 111.5 | G422 T429 S478 C482 F520 F521 | G422-Y425 WeakPolarHBondContact O-CB 3.48Å; G422-Y425 PolarHBondContact O-N 3.26Å; Y425-T429 VanDerWaalsContact O-CB 3.27Å; Y425-T429 WeakPolarHBondContact O-CB 3.44Å; Y425-T429 PolarHBondContact O-N 2.93Å; Y425-T429 PolarHBondContact O-OG1 3.44Å; Y425-S478 WeakPolarHBondContact CE2-O 3.26Å; Y425-S478 PolarHBondContact OH-OG 3.35Å; Y425-C482 HydrophobicContact CE2-CB 4.15Å; Y425-F520 AromaticContact CD1-CE1 3.7Å; Y425-F520 HydrophobicContact CD1-CE1 3.7Å; Y425-F520 HydrophobicContact CD1-CZ 4.09Å; Y425-F520 AromaticContact CE1-CE1 3.82Å; Y425-F520 HydrophobicContact CE1-CE1 3.82Å; Y425-F521 HydrophobicContact CE1-CE1 4.29Å; Y425-F521 AromaticContact CE1-CZ 3.93Å; Y425-F521 HydrophobicContact CE1-CZ 3.93Å |
| 426 | L | 90.9 | Very high | 90.6 | Very high | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -66.4 | -44.2 | 176.9 | -170.7 | 70.1 | 0 | 0 | 0 | 112.1 | G422 S423 Q424 T429 L430 F520 F521 A524 F531 L533 | G422-L426 WeakPolarHBondContact O-CB 3.41Å; G422-L426 PolarHBondContact O-N 2.86Å; S423-L426 WeakPolarHBondContact O-CB 3.4Å; S423-L426 PolarHBondContact O-N 2.92Å; Q424-L426 VanDerWaalsContact C-N 3.26Å; Q424-L426 PolarHBondContact O-N 2.81Å; L426-T429 PolarHBondContact O-N 3.35Å; L426-L430 HydrophobicContact CD1-CD1 3.47Å; L426-L430 VanDerWaalsContact CD1-CD1 3.47Å; L426-L430 HydrophobicContact CD1-CG 4.03Å; L426-L430 HydrophobicContact CG-CD1 4.13Å; L426-L430 PolarHBondContact O-N 3.31Å; L426-F520 HydrophobicContact CB-CE1 4.3Å; L426-F520 HydrophobicContact CB-CE2 4.41Å; L426-F520 HydrophobicContact CB-CZ 3.79Å; L426-F520 HydrophobicContact CD1-CD1 4.19Å; L426-F520 HydrophobicContact CD1-CE1 3.83Å; L426-F520 HydrophobicContact CD1-CE2 4.39Å; L426-F520 HydrophobicContact CD1-CZ 3.95Å; L426-F520 HydrophobicContact CD2-CE2 4.29Å; L426-F520 HydrophobicContact CD2-CZ 4.41Å; L426-F520 HydrophobicContact CG-CZ 4.28Å; L426-F521 HydrophobicContact CD1-CD1 3.86Å; L426-F521 HydrophobicContact CD1-CE1 4.19Å; L426-A524 HydrophobicContact CD1-CB 3.78Å; L426-A524 HydrophobicContact CD2-CB 3.62Å; L426-A524 HydrophobicContact CG-CB 4.07Å; L426-F531 HydrophobicContact CD2-CB 3.74Å; L426-F531 HydrophobicContact CD2-CD1 3.28Å; L426-F531 HydrophobicContact CD2-CE1 4.11Å; L426-F531 HydrophobicContact CD2-CG 3.79Å; L426-L533 HydrophobicContact CD2-CD1 4.44Å; L426-L533 HydrophobicContact CG-CD1 4.39Å; L426-L533 HydrophobicContact CG-CD2 4.29Å |
| 427 | V | 89 | Confident | 90.6 | Very high | 51 Ų | 51 | 30.7 Ų | 30.7 | 31% | 0.309 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -59.1 | -52.7 | 175.4 | 173.5 | 0 | 0 | 0 | 0 | 110.5 | S423 Q424 T429 K431 L533 | S423-V427 VanDerWaalsContact O-CG2 3.31Å; S423-V427 WeakPolarHBondContact O-CG2 3.38Å; S423-V427 PolarHBondContact O-N 2.93Å; S423-V427 VanDerWaalsContact O-N 3.07Å; Q424-V427 PolarHBondContact O-N 2.84Å; V427-T429 PolarHBondContact O-N 3.21Å; V427-K431 HydrophobicContact CG1-CB 4.17Å; V427-K431 HydrophobicContact CG1-CD 3.85Å; V427-K431 WeakPolarHBondContact O-CB 3.3Å; V427-K431 PolarHBondContact O-N 2.75Å; V427-L533 HydrophobicContact CB-CD2 4.2Å; V427-L533 HydrophobicContact CG2-CD2 3.8Å |
| 428 | A | 88.9 | Confident | 90.4 | Very high | 60 Ų | 60 | 31.2 Ų | 31.2 | 50% | 0.496 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -60.1 | -33.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q424 R474 | Q424-A428 WeakPolarHBondContact O-CB 3.27Å; Q424-A428 PolarHBondContact O-N 2.72Å; A428-R474 PolarHBondContact O-NH2 3.37Å |
| 429 | T | 91.5 | Very high | 90.3 | Very high | 6 Ų | 6 | 38.3 Ų | 38.3 | 4% | 0.037 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -79 | -53.5 | -177.7 | -57 | 0 | 0 | 0 | 0 | 112.3 | Y425 L426 V427 R474 I475 S478 F521 | Y425-T429 VanDerWaalsContact O-CB 3.27Å; Y425-T429 WeakPolarHBondContact O-CB 3.44Å; Y425-T429 PolarHBondContact O-N 2.93Å; Y425-T429 PolarHBondContact O-OG1 3.44Å; L426-T429 PolarHBondContact O-N 3.35Å; V427-T429 PolarHBondContact O-N 3.21Å; T429-R474 WeakPolarHBondContact O-CD 3.47Å; T429-R474 PolarHBondContact O-NE 3.41Å; T429-I475 HydrophobicContact CG2-CG1 4.22Å; T429-S478 VanDerWaalsContact OG1-CB 3.29Å; T429-S478 WeakPolarHBondContact OG1-CB 3.43Å; T429-F521 HydrophobicContact CG2-CE1 4.16Å |
| 430 | L | 94.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -95.2 | -32.6 | -168.6 | -60.2 | -175.1 | 0 | 0 | 0 | 114.1 | L426 C433 L434 M471 I475 F521 A524 L525 L533 | L426-L430 HydrophobicContact CD1-CD1 3.47Å; L426-L430 VanDerWaalsContact CD1-CD1 3.47Å; L426-L430 HydrophobicContact CD1-CG 4.03Å; L426-L430 HydrophobicContact CG-CD1 4.13Å; L426-L430 PolarHBondContact O-N 3.31Å; L430-C433 PolarHBondContact O-N 2.96Å; L430-L434 HydrophobicContact CB-CD1 4.15Å; L430-L434 WeakPolarHBondContact O-CG 3.44Å; L430-L434 PolarHBondContact O-N 2.73Å; L430-M471 HydrophobicContact CD2-CG 4.49Å; L430-M471 HydrophobicContact CD2-SD 3.77Å; L430-I475 HydrophobicContact CD2-CD1 4.27Å; L430-I475 HydrophobicContact CD2-CG1 4.07Å; L430-F521 HydrophobicContact CD1-CD1 4.24Å; L430-F521 HydrophobicContact CD2-CD1 4.15Å; L430-F521 HydrophobicContact CG-CD1 4.34Å; L430-A524 HydrophobicContact CD1-CB 3.77Å; L430-L525 HydrophobicContact CD1-CD2 4.11Å; L430-L525 HydrophobicContact CD1-CG 4.24Å; L430-L525 HydrophobicContact CD2-CD2 4.39Å; L430-L533 HydrophobicContact CB-CD1 4.21Å; L430-L533 HydrophobicContact CD1-CD1 4.06Å |
| 431 | K | 92.1 | Very high | 90.5 | Very high | 70 Ų | 70 | 43.7 Ų | 43.7 | 30% | 0.304 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -56.5 | -42.5 | -170.2 | -178.3 | 167.4 | 170.7 | 41.5 | 0 | 113.7 | V427 C433 L434 D435 L533 | V427-K431 HydrophobicContact CG1-CB 4.17Å; V427-K431 HydrophobicContact CG1-CD 3.85Å; V427-K431 WeakPolarHBondContact O-CB 3.3Å; V427-K431 PolarHBondContact O-N 2.75Å; K431-C433 PolarHBondContact O-N 3.5Å; K431-L434 PolarHBondContact O-N 3.27Å; K431-D435 WeakPolarHBondContact CE-OD2 3.34Å; K431-D435 WeakPolarHBondContact CG-OD2 3.46Å; K431-D435 VanDerWaalsContact NZ-CG 3.28Å; K431-D435 IonicContact NZ-OD1 3.18Å; K431-D435 PolarHBondContact NZ-OD1 3.44Å; K431-D435 IonicContact NZ-OD2 2.78Å; K431-D435 PolarHBondContact NZ-OD2 3.36Å; K431-D435 WeakPolarHBondContact O-CB 3.36Å; K431-D435 PolarHBondContact O-N 2.87Å; K431-L533 HydrophobicContact CB-CD2 4.5Å |
| 432 | P | 92.6 | Very high | 90.5 | Very high | 58 Ų | 58 | 47.4 Ų | 47.4 | 38% | 0.377 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -63.5 | -37.7 | -179.6 | -28.2 | 40.6 | 0 | 0 | 0 | 113.9 | K436 | P432-K436 PolarHBondContact O-N 2.98Å |
| 433 | C | 93.2 | Very high | 90.7 | Very high | 8 Ų | 8 | 48.2 Ų | 48.2 | 5% | 0.054 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -70.2 | -40.8 | 174.4 | -77.7 | 0 | 0 | 0 | 0 | 111.4 | L430 K431 K436 I437 S470 M471 R474 | L430-C433 PolarHBondContact O-N 2.96Å; K431-C433 PolarHBondContact O-N 3.5Å; C433-K436 WeakPolarHBondContact O-CB 3.27Å; C433-K436 PolarHBondContact O-N 2.87Å; C433-I437 WeakPolarHBondContact O-CG1 3.34Å; C433-I437 PolarHBondContact O-N 3.33Å; C433-S470 PolarHBondContact SG-OG 2.74Å; C433-M471 HydrophobicContact CB-CE 4.04Å; C433-M471 HydrophobicContact CB-SD 3.73Å; C433-R474 WeakPolarHBondContact SG-CD 3.37Å |
| 434 | L | 93.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.6 | -47.2 | 175.8 | -70.5 | 173.1 | 0 | 0 | 0 | 111.5 | L430 K431 K436 I437 F438 L525 P528 L533 L546 | L430-L434 HydrophobicContact CB-CD1 4.15Å; L430-L434 WeakPolarHBondContact O-CG 3.44Å; L430-L434 PolarHBondContact O-N 2.73Å; K431-L434 PolarHBondContact O-N 3.27Å; L434-K436 PolarHBondContact O-N 3.03Å; L434-I437 PolarHBondContact O-N 3.32Å; L434-F438 VanDerWaalsContact O-CD2 3.24Å; L434-F438 WeakPolarHBondContact O-CD2 3.31Å; L434-F438 PolarHBondContact O-N 3.19Å; L434-L525 HydrophobicContact CD2-CD2 3.95Å; L434-L525 HydrophobicContact CG-CD2 4.48Å; L434-P528 HydrophobicContact CD1-CB 4.39Å; L434-L533 HydrophobicContact CD1-CB 3.82Å; L434-L533 HydrophobicContact CD1-CD1 3.6Å; L434-L533 HydrophobicContact CD1-CG 4.24Å; L434-L546 HydrophobicContact CD2-CD1 4.38Å; L434-L546 HydrophobicContact CD2-CD2 3.41Å; L434-L546 VanDerWaalsContact CD2-CD2 3.41Å |
| 435 | D | 92.4 | Very high | 91.6 | Very high | 54 Ų | 54 | 42.5 Ų | 42.5 | 29% | 0.289 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -59.6 | -37.8 | 179.6 | -71.5 | -22.4 | 0 | 0 | 0 | 111.9 | K431 L439 R534 | K431-D435 WeakPolarHBondContact CE-OD2 3.34Å; K431-D435 WeakPolarHBondContact CG-OD2 3.46Å; K431-D435 VanDerWaalsContact NZ-CG 3.28Å; K431-D435 IonicContact NZ-OD1 3.18Å; K431-D435 PolarHBondContact NZ-OD1 3.44Å; K431-D435 IonicContact NZ-OD2 2.78Å; K431-D435 PolarHBondContact NZ-OD2 3.36Å; K431-D435 WeakPolarHBondContact O-CB 3.36Å; K431-D435 PolarHBondContact O-N 2.87Å; D435-L439 VanDerWaalsContact O-CB 3.24Å; D435-L439 WeakPolarHBondContact O-CB 3.33Å; D435-L439 PolarHBondContact O-N 3.45Å; D435-R534 WeakPolarHBondContact OD1-CD 3.27Å; D435-R534 IonicContact OD1-CZ 3.83Å; D435-R534 IonicContact OD1-NE 3.56Å; D435-R534 IonicContact OD1-NH1 2.71Å; D435-R534 PolarHBondContact OD1-NH1 3.03Å |
| 436 | K | 93.4 | Very high | 91.7 | Very high | 71 Ų | 71 | 42.2 Ų | 42.2 | 31% | 0.309 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -61.6 | -49 | 171.6 | -175 | -178.9 | -179.6 | -178.8 | 0 | 112.4 | P432 C433 L434 F438 L439 E440 | P432-K436 PolarHBondContact O-N 2.98Å; C433-K436 WeakPolarHBondContact O-CB 3.27Å; C433-K436 PolarHBondContact O-N 2.87Å; L434-K436 PolarHBondContact O-N 3.03Å; K436-F438 VanDerWaalsContact C-N 3.35Å; K436-F438 PolarHBondContact O-N 3.48Å; K436-L439 PolarHBondContact O-N 3.29Å; K436-E440 WeakPolarHBondContact CE-OE1 3.39Å; K436-E440 HydrophobicContact CG-CG 4.33Å; K436-E440 WeakPolarHBondContact CG-OE1 3.32Å; K436-E440 WeakPolarHBondContact O-CB 3.41Å; K436-E440 WeakPolarHBondContact O-CG 3.46Å; K436-E440 PolarHBondContact O-N 3.38Å |
| 437 | I | 93.3 | Very high | 91.7 | Very high | 3 Ų | 3 | 43 Ų | 43 | 2% | 0.015 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.5 | -43.7 | -179.7 | -67.6 | 164.2 | 0 | 0 | 0 | 111 | C433 L434 L439 R441 Y467 M471 V542 T545 L546 I549 | C433-I437 WeakPolarHBondContact O-CG1 3.34Å; C433-I437 PolarHBondContact O-N 3.33Å; L434-I437 PolarHBondContact O-N 3.32Å; I437-L439 VanDerWaalsContact C-N 3.34Å; I437-R441 WeakPolarHBondContact O-CA 3.29Å; I437-R441 PolarHBondContact O-N 3.47Å; I437-Y467 HydrophobicContact CD1-CG 4.39Å; I437-Y467 HydrophobicContact CG1-CD1 3.97Å; I437-Y467 HydrophobicContact CG1-CD2 4.12Å; I437-Y467 HydrophobicContact CG1-CE1 4.14Å; I437-Y467 HydrophobicContact CG1-CE2 4.26Å; I437-Y467 HydrophobicContact CG1-CG 3.97Å; I437-M471 HydrophobicContact CD1-CE 4.07Å; I437-V542 HydrophobicContact CG2-CG1 4.19Å; I437-T545 HydrophobicContact CG2-CG2 4.07Å; I437-L546 HydrophobicContact CD1-CD2 4.1Å; I437-L546 HydrophobicContact CG2-CD2 4.49Å; I437-I549 HydrophobicContact CD1-CD1 3.62Å |
| 438 | F | 90.6 | Very high | 91.6 | Very high | 13 Ų | 13 | 44.2 Ų | 44.2 | 6% | 0.057 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -70 | -29.3 | 179.1 | -87 | -103.9 | 0 | 0 | 0 | 113.4 | L434 K436 R441 R534 P538 V542 L546 | L434-F438 VanDerWaalsContact O-CD2 3.24Å; L434-F438 WeakPolarHBondContact O-CD2 3.31Å; L434-F438 PolarHBondContact O-N 3.19Å; K436-F438 VanDerWaalsContact C-N 3.35Å; K436-F438 PolarHBondContact O-N 3.48Å; F438-R441 VanDerWaalsContact O-CG 3.23Å; F438-R441 WeakPolarHBondContact O-CG 3.4Å; F438-R441 PolarHBondContact O-NE 3.27Å; F438-R534 VanDerWaalsContact CD1-CZ 3.47Å; F438-R534 HydrophobicContact CE2-CG 4.09Å; F438-R534 VanDerWaalsContact CG-CZ 3.48Å; F438-R534 VanDerWaalsContact CG-NH1 3.32Å; F438-R534 HydrophobicContact CZ-CG 4.08Å; F438-P538 HydrophobicContact CE1-CB 4.12Å; F438-P538 HydrophobicContact CZ-CB 3.85Å; F438-V542 HydrophobicContact CD1-CG1 4.36Å; F438-V542 HydrophobicContact CD2-CG1 3.9Å; F438-V542 HydrophobicContact CE1-CG1 4.2Å; F438-V542 HydrophobicContact CE2-CG1 3.74Å; F438-V542 HydrophobicContact CG-CG1 4.24Å; F438-V542 HydrophobicContact CZ-CG1 3.91Å; F438-L546 HydrophobicContact CE2-CD1 4.17Å |
| 439 | L | 91.1 | Very high | 91.6 | Very high | 149 Ų | 149 | 48.8 Ų | 48.8 | 78% | 0.78 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -75.9 | -46.5 | 175.3 | -178.6 | 65.2 | 0 | 0 | 0 | 111.4 | D435 K436 I437 | D435-L439 VanDerWaalsContact O-CB 3.24Å; D435-L439 WeakPolarHBondContact O-CB 3.33Å; D435-L439 PolarHBondContact O-N 3.45Å; K436-L439 PolarHBondContact O-N 3.29Å; I437-L439 VanDerWaalsContact C-N 3.34Å |
| 440 | E | 91.8 | Very high | 91.4 | Very high | 70 Ų | 70 | 55.6 Ų | 55.6 | 33% | 0.327 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -79.3 | -33.8 | -175 | -69.6 | -176.4 | -168.2 | 0 | 0 | 113.5 | K436 K442 Y467 | K436-E440 WeakPolarHBondContact CE-OE1 3.39Å; K436-E440 HydrophobicContact CG-CG 4.33Å; K436-E440 WeakPolarHBondContact CG-OE1 3.32Å; K436-E440 WeakPolarHBondContact O-CB 3.41Å; K436-E440 WeakPolarHBondContact O-CG 3.46Å; K436-E440 PolarHBondContact O-N 3.38Å; E440-K442 HydrophobicContact CB-CG 4.25Å; E440-K442 PolarHBondContact O-N 2.69Å; E440-K442 VanDerWaalsContact OE2-CE 3.31Å; E440-K442 WeakPolarHBondContact OE2-CE 3.33Å; E440-K442 IonicContact OE2-NZ 2.71Å; E440-K442 PolarHBondContact OE2-NZ 2.95Å; E440-Y467 VanDerWaalsContact CB-OH 3.3Å; E440-Y467 WeakPolarHBondContact CB-OH 3.49Å; E440-Y467 WeakPolarHBondContact OE2-CE1 3.1Å; E440-Y467 PolarHBondContact OE2-OH 2.85Å |
| 441 | R | 90.1 | Very high | 91 | Very high | 143 Ų | 143 | 57.3 Ų | 57.3 | 54% | 0.54 | 28% | 0.278 | S | S | . | . | trans | 48.4 | 33.1 | 179.6 | -55.6 | -168.6 | -178.5 | -160.3 | 11.2 | 115.1 | I437 F438 D539 N541 V542 | I437-R441 WeakPolarHBondContact O-CA 3.29Å; I437-R441 PolarHBondContact O-N 3.47Å; F438-R441 VanDerWaalsContact O-CG 3.23Å; F438-R441 WeakPolarHBondContact O-CG 3.4Å; F438-R441 PolarHBondContact O-NE 3.27Å; R441-D539 IonicContact CZ-OD2 3.1Å; R441-D539 IonicContact NE-OD2 3.76Å; R441-D539 IonicContact NH1-OD2 2.7Å; R441-D539 PolarHBondContact NH1-OD2 3.44Å; R441-N541 PolarHBondContact O-ND2 3.37Å; R441-V542 HydrophobicContact CG-CG2 4.25Å | ||
| 442 | K | 90.7 | Very high | 90.7 | Very high | 88 Ų | 88 | 58 Ų | 58 | 38% | 0.383 | 29% | 0.289 | S | S | . | . | trans | -67.8 | 140.6 | 178.2 | -67.3 | 177.4 | -175.4 | 153.1 | 0 | 111.1 | E440 N463 Y467 | E440-K442 HydrophobicContact CB-CG 4.25Å; E440-K442 PolarHBondContact O-N 2.69Å; E440-K442 VanDerWaalsContact OE2-CE 3.31Å; E440-K442 WeakPolarHBondContact OE2-CE 3.33Å; E440-K442 IonicContact OE2-NZ 2.71Å; E440-K442 PolarHBondContact OE2-NZ 2.95Å; K442-N463 HydrophobicContact CB-CB 4.47Å; K442-Y467 HydrophobicContact CB-CE2 4.27Å; K442-Y467 WeakPolarHBondContact CD-OH 3.48Å | ||
| 443 | S | 90.1 | Very high | 90 | Very high | 17 Ų | 17 | 61.5 Ų | 61.5 | 12% | 0.119 | 31% | 0.311 | C | S | . | . | trans | -66.3 | 134.8 | 170.7 | -173.3 | 0 | 0 | 0 | 0 | 109.7 | E445 Q455 N460 N463 | S443-E445 PolarHBondContact OG-N 3.03Å; S443-Q455 PolarHBondContact OG-OE1 3.23Å; S443-N460 WeakPolarHBondContact CB-OD1 3.45Å; S443-N460 PolarHBondContact O-OD1 3.15Å; S443-N460 PolarHBondContact OG-ND2 3.38Å; S443-N463 PolarHBondContact O-ND2 2.87Å; S443-N463 VanDerWaalsContact O-ND2 3.1Å | ||
| 444 | C | 91.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 35% | 0.353 | C | S | . | . | trans | -122.2 | 19.2 | 173.6 | -64.4 | 0 | 0 | 0 | 0 | 110.7 | V446 L464 T545 L548 | C444-V446 PolarHBondContact O-N 3.48Å; C444-L464 HydrophobicContact CB-CB 4.05Å; C444-L464 HydrophobicContact CB-CD1 4.33Å; C444-T545 HydrophobicContact CB-CG2 3.96Å; C444-T545 WeakPolarHBondContact CB-OG1 3.26Å; C444-T545 VanDerWaalsContact SG-CG2 3.56Å; C444-L548 WeakPolarHBondContact O-CD1 3.42Å | ||
| 445 | E | 93.1 | Very high | 88.9 | Confident | 20 Ų | 20 | 69.1 Ų | 69.1 | 9% | 0.093 | 37% | 0.37 | C | S | . | . | trans | -69.3 | 119.7 | -179.1 | -172.3 | 58.3 | -98.2 | 0 | 0 | 110.8 | S443 D447 R450 I451 N460 R544 | S443-E445 PolarHBondContact OG-N 3.03Å; E445-D447 VanDerWaalsContact OE1-CB 3.26Å; E445-D447 WeakPolarHBondContact OE1-CB 3.45Å; E445-D447 PolarHBondContact OE1-N 3.11Å; E445-D447 VanDerWaalsContact OE1-N 3.13Å; E445-R450 HydrophobicContact CG-CB 3.78Å; E445-I451 HydrophobicContact CB-CG1 4.39Å; E445-I451 HydrophobicContact CG-CG1 4.02Å; E445-N460 WeakPolarHBondContact O-CB 3.31Å; E445-N460 PolarHBondContact O-ND2 3.41Å; E445-R544 IonicContact OE1-CZ 3.57Å; E445-R544 IonicContact OE1-NE 2.81Å; E445-R544 PolarHBondContact OE1-NE 2.96Å; E445-R544 IonicContact OE1-NH2 2.91Å; E445-R544 PolarHBondContact OE1-NH2 2.91Å; E445-R544 WeakPolarHBondContact OE2-CG 3.44Å; E445-R544 IonicContact OE2-CZ 3.38Å; E445-R544 IonicContact OE2-NE 3.35Å; E445-R544 PolarHBondContact OE2-NE 3.49Å; E445-R544 IonicContact OE2-NH2 2.97Å; E445-R544 PolarHBondContact OE2-NH2 3.4Å | ||
| 446 | V | 92.2 | Very high | 88.6 | Confident | 4 Ų | 4 | 68.8 Ų | 68.8 | 2% | 0.024 | 37% | 0.372 | C | S | . | . | trans | -117.2 | -3.9 | -176 | -69.7 | 0 | 0 | 0 | 0 | 112.6 | C444 P448 L457 L464 L548 F572 M573 I576 | C444-V446 PolarHBondContact O-N 3.48Å; V446-P448 WeakPolarHBondContact O-CD 3.44Å; V446-L457 HydrophobicContact CB-CD1 4.35Å; V446-L457 WeakPolarHBondContact O-CD1 3.42Å; V446-L464 HydrophobicContact CG1-CD2 3.94Å; V446-L464 HydrophobicContact CG2-CD2 4Å; V446-L548 HydrophobicContact CG2-CD1 4.24Å; V446-L548 HydrophobicContact CG2-CD2 4.3Å; V446-F572 HydrophobicContact CG2-CD2 3.92Å; V446-F572 HydrophobicContact CG2-CE2 4.15Å; V446-M573 HydrophobicContact CG2-SD 3.67Å; V446-I576 HydrophobicContact CG1-CD1 4.47Å | ||
| 447 | D | 90.4 | Very high | 88.5 | Confident | 17 Ų | 17 | 69 Ų | 69 | 9% | 0.091 | 38% | 0.376 | C | S | . | . | trans | -78.7 | 111.8 | 171.1 | -175.3 | -8.6 | 0 | 0 | 0 | 109.2 | E445 D449 R450 I451 F572 | E445-D447 VanDerWaalsContact OE1-CB 3.26Å; E445-D447 WeakPolarHBondContact OE1-CB 3.45Å; E445-D447 PolarHBondContact OE1-N 3.11Å; E445-D447 VanDerWaalsContact OE1-N 3.13Å; D447-D449 PolarHBondContact O-N 3.14Å; D447-D449 PolarHBondContact OD1-N 3.3Å; D447-R450 HydrophobicContact CB-CB 4.18Å; D447-R450 HydrophobicContact CB-CG 4.07Å; D447-R450 PolarHBondContact O-N 3.14Å; D447-R450 VanDerWaalsContact OD2-CD 3.32Å; D447-R450 WeakPolarHBondContact OD2-CD 3.19Å; D447-R450 WeakPolarHBondContact OD2-CG 3.32Å; D447-R450 IonicContact OD2-CZ 2.84Å; D447-R450 IonicContact OD2-NE 3.32Å; D447-R450 PolarHBondContact OD2-NE 3.07Å; D447-I451 WeakPolarHBondContact O-CG1 3.16Å; D447-I451 PolarHBondContact O-N 3.43Å; D447-F572 HydrophobicContact CB-CD2 3.98Å; D447-F572 HydrophobicContact CB-CE2 4.09Å; D447-F572 HydrophobicContact CB-CG 4.25Å; D447-F572 HydrophobicContact CB-CZ 4.49Å | ||
| 448 | P | 87.8 | Confident | 88.3 | Confident | 78 Ų | 78 | 73.9 Ų | 73.9 | 51% | 0.506 | 41% | 0.406 | S | S | . | . | G | 310 helix | trans | -54 | -30.6 | -176.7 | -26 | 35.6 | 0 | 0 | 0 | 113.5 | V446 R450 | V446-P448 WeakPolarHBondContact O-CD 3.44Å; P448-R450 VanDerWaalsContact C-N 3.28Å; P448-R450 PolarHBondContact O-N 2.91Å |
| 449 | D | 87.1 | Confident | 88.4 | Confident | 155 Ų | 155 | 77.6 Ų | 77.6 | 83% | 0.829 | 43% | 0.427 | S | S | * | . | G | 310 helix | trans | -76.8 | -15 | -177.7 | -62.5 | -26.1 | 0 | 0 | 0 | 113 | D447 | D447-D449 PolarHBondContact O-N 3.14Å; D447-D449 PolarHBondContact OD1-N 3.3Å |
| 450 | R | 87.5 | Confident | 88.5 | Confident | 150 Ų | 150 | 70.9 Ų | 70.9 | 57% | 0.566 | 39% | 0.391 | S | S | * | . | G | 310 helix | trans | -109.4 | -3.6 | -176.9 | -60.5 | -177.7 | -167.8 | -138.1 | -9.8 | 113.9 | E445 D447 P448 T452 | E445-R450 HydrophobicContact CG-CB 3.78Å; D447-R450 HydrophobicContact CB-CB 4.18Å; D447-R450 HydrophobicContact CB-CG 4.07Å; D447-R450 PolarHBondContact O-N 3.14Å; D447-R450 VanDerWaalsContact OD2-CD 3.32Å; D447-R450 WeakPolarHBondContact OD2-CD 3.19Å; D447-R450 WeakPolarHBondContact OD2-CG 3.32Å; D447-R450 IonicContact OD2-CZ 2.84Å; D447-R450 IonicContact OD2-NE 3.32Å; D447-R450 PolarHBondContact OD2-NE 3.07Å; P448-R450 VanDerWaalsContact C-N 3.28Å; P448-R450 PolarHBondContact O-N 2.91Å; R450-T452 PolarHBondContact O-N 2.98Å |
| 451 | I | 86.8 | Confident | 88.5 | Confident | 36 Ų | 36 | 68.8 Ų | 68.8 | 19% | 0.185 | 39% | 0.385 | C | S | . | . | P | Polyproline II helix | trans | -74.3 | 120.5 | -178.5 | -70.6 | 176 | 0 | 0 | 0 | 109.2 | E445 D447 Q455 L457 | E445-I451 HydrophobicContact CB-CG1 4.39Å; E445-I451 HydrophobicContact CG-CG1 4.02Å; D447-I451 WeakPolarHBondContact O-CG1 3.16Å; D447-I451 PolarHBondContact O-N 3.43Å; I451-Q455 HydrophobicContact CG2-CB 3.8Å; I451-L457 HydrophobicContact CD1-CB 3.73Å; I451-L457 HydrophobicContact CD1-CD1 3.44Å; I451-L457 VanDerWaalsContact CD1-CD1 3.44Å; I451-L457 HydrophobicContact CD1-CG 4.13Å |
| 452 | T | 84.5 | Confident | 88.6 | Confident | 85 Ų | 85 | 70.2 Ų | 70.2 | 52% | 0.521 | 39% | 0.39 | S | S | . | . | P | Polyproline II helix | trans | -64.7 | 140.3 | 175.3 | -47.6 | 0 | 0 | 0 | 0 | 110.6 | R450 G454 Q455 | R450-T452 PolarHBondContact O-N 2.98Å; T452-G454 PolarHBondContact O-N 3.27Å; T452-Q455 PolarHBondContact O-N 2.94Å |
| 453 | P | 77.9 | Confident | 88.8 | Confident | 131 Ų | 131 | 67.4 Ų | 67.4 | 85% | 0.851 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.5 | 125.2 | 174.1 | -27.2 | 34.2 | 0 | 0 | 0 | 111.8 | ||
| 454 | G | 79.5 | Confident | 88.9 | Confident | 90 Ų | 90 | 66.6 Ų | 66.6 | 93% | 0.928 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 101.6 | -10.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | T452 | T452-G454 PolarHBondContact O-N 3.27Š|
| 455 | Q | 84.1 | Confident | 88.9 | Confident | 78 Ų | 78 | 68.4 Ų | 68.4 | 36% | 0.364 | 38% | 0.383 | S | S | . | . | trans | -87.4 | 145.1 | 169.1 | -69.1 | -169.5 | 0.9 | 0 | 0 | 111.5 | S443 I451 T452 N460 | S443-Q455 PolarHBondContact OG-OE1 3.23Å; I451-Q455 HydrophobicContact CG2-CB 3.8Å; T452-Q455 PolarHBondContact O-N 2.94Å; Q455-N460 PolarHBondContact OE1-ND2 3.36Å | ||
| 456 | S | 87.7 | Confident | 88.9 | Confident | 46 Ų | 46 | 70.7 Ų | 70.7 | 32% | 0.322 | 40% | 0.395 | S | S | . | . | trans | -98 | 119.2 | 178.4 | 165.6 | 0 | 0 | 0 | 0 | 109.8 | T458 D459 N460 | S456-T458 PolarHBondContact O-N 3.16Å; S456-D459 WeakPolarHBondContact CB-OD2 3.2Å; S456-D459 PolarHBondContact O-N 2.91Å; S456-D459 PolarHBondContact OG-N 3.48Å; S456-D459 PolarHBondContact OG-OD2 3.34Å; S456-N460 PolarHBondContact O-N 3.36Å | ||
| 457 | L | 90 | Very high | 89.1 | Confident | 76 Ų | 76 | 70.9 Ų | 70.9 | 40% | 0.398 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -54.7 | -39 | 174.6 | 175.1 | 64.7 | 0 | 0 | 0 | 111.3 | V446 I451 S461 | V446-L457 HydrophobicContact CB-CD1 4.35Å; V446-L457 WeakPolarHBondContact O-CD1 3.42Å; I451-L457 HydrophobicContact CD1-CB 3.73Å; I451-L457 HydrophobicContact CD1-CD1 3.44Å; I451-L457 VanDerWaalsContact CD1-CD1 3.44Å; I451-L457 HydrophobicContact CD1-CG 4.13Å; L457-S461 VanDerWaalsContact O-CB 3.27Å; L457-S461 WeakPolarHBondContact O-CB 2.97Å; L457-S461 PolarHBondContact O-N 3.41Å; L457-S461 PolarHBondContact O-OG 2.86Å |
| 458 | T | 90.1 | Very high | 89.1 | Confident | 105 Ų | 105 | 70.1 Ų | 70.1 | 64% | 0.644 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -64.6 | -43.6 | 179.8 | -51.1 | 0 | 0 | 0 | 0 | 111.7 | S456 S461 R462 | S456-T458 PolarHBondContact O-N 3.16Å; T458-S461 PolarHBondContact O-N 3.49Å; T458-R462 WeakPolarHBondContact O-CB 3.15Å; T458-R462 PolarHBondContact O-N 3.02Å |
| 459 | D | 91.8 | Very high | 89.3 | Confident | 91 Ų | 91 | 69.7 Ų | 69.7 | 49% | 0.487 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -70.8 | -41.8 | 179.5 | -64.6 | -40.3 | 0 | 0 | 0 | 111.3 | S456 S461 R462 N463 | S456-D459 WeakPolarHBondContact CB-OD2 3.2Å; S456-D459 PolarHBondContact O-N 2.91Å; S456-D459 PolarHBondContact OG-N 3.48Å; S456-D459 PolarHBondContact OG-OD2 3.34Å; D459-S461 VanDerWaalsContact C-N 3.33Å; D459-S461 PolarHBondContact O-N 2.97Å; D459-R462 PolarHBondContact O-N 3.12Å; D459-N463 PolarHBondContact O-N 3.48Å; D459-N463 PolarHBondContact O-ND2 3.29Å |
| 460 | N | 92.9 | Very high | 89.5 | Confident | 8 Ų | 8 | 64.2 Ų | 64.2 | 4% | 0.043 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -61.1 | -42.1 | 174.8 | -70 | -5.1 | 0 | 0 | 0 | 111.6 | S443 E445 Q455 S456 N463 L464 | S443-N460 WeakPolarHBondContact CB-OD1 3.45Å; S443-N460 PolarHBondContact O-OD1 3.15Å; S443-N460 PolarHBondContact OG-ND2 3.38Å; E445-N460 WeakPolarHBondContact O-CB 3.31Å; E445-N460 PolarHBondContact O-ND2 3.41Å; Q455-N460 PolarHBondContact OE1-ND2 3.36Å; S456-N460 PolarHBondContact O-N 3.36Å; N460-N463 PolarHBondContact O-N 2.61Å; N460-L464 PolarHBondContact O-N 3Å |
| 461 | S | 92 | Very high | 89.7 | Confident | 26 Ų | 26 | 57 Ų | 57 | 18% | 0.182 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61.3 | -44 | 175 | -62.5 | 0 | 0 | 0 | 0 | 111.4 | L457 T458 D459 L464 I465 | L457-S461 VanDerWaalsContact O-CB 3.27Å; L457-S461 WeakPolarHBondContact O-CB 2.97Å; L457-S461 PolarHBondContact O-N 3.41Å; L457-S461 PolarHBondContact O-OG 2.86Å; T458-S461 PolarHBondContact O-N 3.49Å; D459-S461 VanDerWaalsContact C-N 3.33Å; D459-S461 PolarHBondContact O-N 2.97Å; S461-L464 PolarHBondContact O-N 3.46Å; S461-I465 WeakPolarHBondContact O-CD1 3.4Å; S461-I465 VanDerWaalsContact O-CG1 3.28Å; S461-I465 WeakPolarHBondContact O-CG1 3.44Å; S461-I465 PolarHBondContact O-N 3.49Å |
| 462 | R | 92.9 | Very high | 89.8 | Confident | 173 Ų | 173 | 55.6 Ų | 55.6 | 65% | 0.653 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -63.1 | -43.2 | 176 | -175.7 | 177.8 | -179.6 | 147.3 | 0.9 | 111.9 | T458 D459 I465 I466 | T458-R462 WeakPolarHBondContact O-CB 3.15Å; T458-R462 PolarHBondContact O-N 3.02Å; D459-R462 PolarHBondContact O-N 3.12Å; R462-I465 PolarHBondContact O-N 3.36Å; R462-I466 HydrophobicContact CG-CD1 3.95Å; R462-I466 VanDerWaalsContact O-CG1 3.3Å; R462-I466 WeakPolarHBondContact O-CG1 3.39Å; R462-I466 PolarHBondContact O-N 3.2Å |
| 463 | N | 93.8 | Very high | 89.9 | Confident | 30 Ų | 30 | 55.5 Ų | 55.5 | 16% | 0.16 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -60.2 | -46.4 | 176.4 | -66.9 | -30 | 0 | 0 | 0 | 111.3 | K442 S443 D459 N460 I465 I466 Y467 | K442-N463 HydrophobicContact CB-CB 4.47Å; S443-N463 PolarHBondContact O-ND2 2.87Å; S443-N463 VanDerWaalsContact O-ND2 3.1Å; D459-N463 PolarHBondContact O-N 3.48Å; D459-N463 PolarHBondContact O-ND2 3.29Å; N460-N463 PolarHBondContact O-N 2.61Å; N463-I465 PolarHBondContact O-N 3.06Å; N463-I466 PolarHBondContact O-N 3.03Å; N463-Y467 WeakPolarHBondContact O-CD2 3.14Å; N463-Y467 PolarHBondContact O-N 3.08Å |
| 464 | L | 94 | Very high | 90.5 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59.9 | -45.4 | 177.8 | -179.5 | 57 | 0 | 0 | 0 | 111.6 | C444 V446 N460 S461 Y467 A468 L548 I549 I576 | C444-L464 HydrophobicContact CB-CB 4.05Å; C444-L464 HydrophobicContact CB-CD1 4.33Å; V446-L464 HydrophobicContact CG1-CD2 3.94Å; V446-L464 HydrophobicContact CG2-CD2 4Å; N460-L464 PolarHBondContact O-N 3Å; S461-L464 PolarHBondContact O-N 3.46Å; L464-Y467 PolarHBondContact O-N 2.99Å; L464-A468 WeakPolarHBondContact O-CB 3.13Å; L464-A468 PolarHBondContact O-N 3.37Å; L464-L548 HydrophobicContact CD1-CB 3.73Å; L464-L548 HydrophobicContact CD2-CB 4.17Å; L464-I549 HydrophobicContact CD1-CG1 3.87Å; L464-I576 HydrophobicContact CD2-CD1 4.45Å; L464-I576 HydrophobicContact CD2-CG1 4.19Å; L464-I576 HydrophobicContact CD2-CG2 4.12Å; L464-I576 HydrophobicContact CG-CG2 4.46Å |
| 465 | I | 91.8 | Very high | 91 | Very high | 37 Ų | 37 | 49.1 Ų | 49.1 | 19% | 0.19 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.3 | -48.6 | 177.7 | -69.3 | 163.7 | 0 | 0 | 0 | 110.5 | S461 R462 N463 Y467 A468 E469 I576 R579 F580 | S461-I465 WeakPolarHBondContact O-CD1 3.4Å; S461-I465 VanDerWaalsContact O-CG1 3.28Å; S461-I465 WeakPolarHBondContact O-CG1 3.44Å; S461-I465 PolarHBondContact O-N 3.49Å; R462-I465 PolarHBondContact O-N 3.36Å; N463-I465 PolarHBondContact O-N 3.06Å; I465-Y467 PolarHBondContact O-N 2.91Å; I465-A468 PolarHBondContact O-N 3.25Å; I465-E469 VanDerWaalsContact O-CB 3.23Å; I465-E469 WeakPolarHBondContact O-CB 3.43Å; I465-E469 PolarHBondContact O-N 3.41Å; I465-I576 HydrophobicContact CD1-CD1 4.12Å; I465-I576 HydrophobicContact CG1-CD1 4.07Å; I465-R579 HydrophobicContact CD1-CG 4.27Å; I465-R579 HydrophobicContact CG2-CG 4.45Å; I465-F580 HydrophobicContact CB-CZ 4.48Å; I465-F580 HydrophobicContact CG1-CE2 4.29Å; I465-F580 HydrophobicContact CG2-CZ 4.14Å |
| 466 | I | 93 | Very high | 91.1 | Very high | 69 Ų | 69 | 46 Ų | 46 | 35% | 0.354 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -60.6 | -45.8 | -179.1 | -69.4 | 166.6 | 0 | 0 | 0 | 111.3 | R462 N463 S470 | R462-I466 HydrophobicContact CG-CD1 3.95Å; R462-I466 VanDerWaalsContact O-CG1 3.3Å; R462-I466 WeakPolarHBondContact O-CG1 3.39Å; R462-I466 PolarHBondContact O-N 3.2Å; N463-I466 PolarHBondContact O-N 3.03Å; I466-S470 VanDerWaalsContact O-CB 3.26Å; I466-S470 WeakPolarHBondContact O-CB 3.38Å; I466-S470 PolarHBondContact O-N 2.98Å |
| 467 | Y | 94.9 | Very high | 90.9 | Very high | 8 Ų | 8 | 48.8 Ų | 48.8 | 3% | 0.031 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -69 | -41.2 | 179.2 | -67.4 | -32.4 | 0 | 0 | 0 | 112.4 | I437 E440 K442 N463 L464 I465 M471 T545 I549 | I437-Y467 HydrophobicContact CD1-CG 4.39Å; I437-Y467 HydrophobicContact CG1-CD1 3.97Å; I437-Y467 HydrophobicContact CG1-CD2 4.12Å; I437-Y467 HydrophobicContact CG1-CE1 4.14Å; I437-Y467 HydrophobicContact CG1-CE2 4.26Å; I437-Y467 HydrophobicContact CG1-CG 3.97Å; E440-Y467 VanDerWaalsContact CB-OH 3.3Å; E440-Y467 WeakPolarHBondContact CB-OH 3.49Å; E440-Y467 WeakPolarHBondContact OE2-CE1 3.1Å; E440-Y467 PolarHBondContact OE2-OH 2.85Å; K442-Y467 HydrophobicContact CB-CE2 4.27Å; K442-Y467 WeakPolarHBondContact CD-OH 3.48Å; N463-Y467 WeakPolarHBondContact O-CD2 3.14Å; N463-Y467 PolarHBondContact O-N 3.08Å; L464-Y467 PolarHBondContact O-N 2.99Å; I465-Y467 PolarHBondContact O-N 2.91Å; Y467-M471 WeakPolarHBondContact O-CB 3.25Å; Y467-M471 PolarHBondContact O-N 3.37Å; Y467-T545 HydrophobicContact CD2-CG2 4.01Å; Y467-T545 HydrophobicContact CE2-CG2 4.37Å; Y467-I549 HydrophobicContact CG-CD1 4.47Å |
| 468 | A | 92.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.9 | -44.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L464 I465 M471 I472 V552 F580 | L464-A468 WeakPolarHBondContact O-CB 3.13Å; L464-A468 PolarHBondContact O-N 3.37Å; I465-A468 PolarHBondContact O-N 3.25Å; A468-M471 PolarHBondContact O-N 2.87Å; A468-I472 WeakPolarHBondContact O-CD1 3.33Å; A468-I472 VanDerWaalsContact O-CG1 3.25Å; A468-I472 WeakPolarHBondContact O-CG1 3.29Å; A468-I472 PolarHBondContact O-N 3.41Å; A468-V552 HydrophobicContact CB-CB 4.35Å; A468-V552 HydrophobicContact CB-CG1 4.03Å; A468-F580 HydrophobicContact CB-CE1 4.39Å; A468-F580 HydrophobicContact CB-CE2 4.03Å; A468-F580 HydrophobicContact CB-CZ 3.64Å |
| 469 | E | 90.1 | Very high | 90.6 | Very high | 70 Ų | 70 | 40.6 Ų | 40.6 | 33% | 0.327 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -61.7 | -46.6 | 176.6 | -173.2 | 169.8 | -166.3 | 0 | 0 | 111 | I465 M471 I472 I473 F580 | I465-E469 VanDerWaalsContact O-CB 3.23Å; I465-E469 WeakPolarHBondContact O-CB 3.43Å; I465-E469 PolarHBondContact O-N 3.41Å; E469-M471 VanDerWaalsContact C-N 3.29Å; E469-M471 PolarHBondContact O-N 2.92Å; E469-I472 PolarHBondContact O-N 3.05Å; E469-I473 HydrophobicContact CG-CD1 3.99Å; E469-I473 VanDerWaalsContact O-CG1 3.3Å; E469-I473 WeakPolarHBondContact O-CG1 3.32Å; E469-I473 PolarHBondContact O-N 3.4Å; E469-F580 HydrophobicContact CB-CE1 4.04Å; E469-F580 HydrophobicContact CB-CZ 4.35Å |
| 470 | S | 91.3 | Very high | 90.1 | Very high | 39 Ų | 39 | 41 Ų | 41 | 27% | 0.273 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -59.3 | -39.1 | 175.2 | -177.7 | 0 | 0 | 0 | 0 | 112.5 | C433 I466 R474 | C433-S470 PolarHBondContact SG-OG 2.74Å; I466-S470 VanDerWaalsContact O-CB 3.26Å; I466-S470 WeakPolarHBondContact O-CB 3.38Å; I466-S470 PolarHBondContact O-N 2.98Å; S470-R474 WeakPolarHBondContact O-CG 3.42Å; S470-R474 PolarHBondContact O-N 3.42Å |
| 471 | M | 92.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -69.6 | -44.4 | 178.9 | -164.5 | 78.2 | 77.9 | 0 | 0 | 111.3 | L430 C433 I437 Y467 A468 E469 R474 I475 L525 I549 I553 | L430-M471 HydrophobicContact CD2-CG 4.49Å; L430-M471 HydrophobicContact CD2-SD 3.77Å; C433-M471 HydrophobicContact CB-CE 4.04Å; C433-M471 HydrophobicContact CB-SD 3.73Å; I437-M471 HydrophobicContact CD1-CE 4.07Å; Y467-M471 WeakPolarHBondContact O-CB 3.25Å; Y467-M471 PolarHBondContact O-N 3.37Å; A468-M471 PolarHBondContact O-N 2.87Å; E469-M471 VanDerWaalsContact C-N 3.29Å; E469-M471 PolarHBondContact O-N 2.92Å; M471-R474 PolarHBondContact O-N 3.34Å; M471-I475 HydrophobicContact CG-CD1 4.18Å; M471-I475 WeakPolarHBondContact O-CG1 3.37Å; M471-I475 PolarHBondContact O-N 3.28Å; M471-L525 HydrophobicContact CE-CD1 4.35Å; M471-L525 HydrophobicContact CE-CD2 3.37Å; M471-L525 HydrophobicContact CG-CD1 4.34Å; M471-L525 HydrophobicContact SD-CD2 3.86Å; M471-I549 HydrophobicContact CB-CG2 4.2Å; M471-I549 HydrophobicContact CE-CG2 4.14Å; M471-I549 HydrophobicContact CG-CG2 4.25Å; M471-I553 HydrophobicContact CB-CD1 4.28Å; M471-I553 HydrophobicContact CG-CD1 3.74Å |
| 472 | I | 88.5 | Confident | 89.3 | Confident | 5 Ų | 5 | 46.5 Ų | 46.5 | 3% | 0.026 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.6 | -47 | 179.2 | -70.1 | 161.4 | 0 | 0 | 0 | 110.6 | A468 E469 R474 I475 V476 V552 I553 L556 F580 | A468-I472 WeakPolarHBondContact O-CD1 3.33Å; A468-I472 VanDerWaalsContact O-CG1 3.25Å; A468-I472 WeakPolarHBondContact O-CG1 3.29Å; A468-I472 PolarHBondContact O-N 3.41Å; E469-I472 PolarHBondContact O-N 3.05Å; I472-R474 VanDerWaalsContact C-N 3.33Å; I472-R474 PolarHBondContact O-N 3.5Å; I472-I475 PolarHBondContact O-N 3.29Å; I472-I475 VanDerWaalsContact O-N 3.17Å; I472-V476 HydrophobicContact CG2-CG2 4.29Å; I472-V476 WeakPolarHBondContact O-CG2 3.34Å; I472-V476 PolarHBondContact O-N 2.91Å; I472-V552 HydrophobicContact CD1-CG1 4.45Å; I472-I553 HydrophobicContact CG1-CG1 4.07Å; I472-L556 HydrophobicContact CD1-CD2 3.73Å; I472-L556 HydrophobicContact CG1-CD2 4.32Å; I472-L556 HydrophobicContact CG2-CD2 4.41Å; I472-F580 HydrophobicContact CD1-CD1 3.84Å; I472-F580 HydrophobicContact CD1-CE1 3.86Å |
| 473 | I | 87.9 | Confident | 89.1 | Confident | 84 Ų | 84 | 40.2 Ų | 40.2 | 43% | 0.431 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -56.5 | -48.3 | 178.1 | -69.6 | 166.5 | 0 | 0 | 0 | 110.4 | E469 I475 V476 D477 | E469-I473 HydrophobicContact CG-CD1 3.99Å; E469-I473 VanDerWaalsContact O-CG1 3.3Å; E469-I473 WeakPolarHBondContact O-CG1 3.32Å; E469-I473 PolarHBondContact O-N 3.4Å; I473-I475 VanDerWaalsContact C-N 3.34Å; I473-I475 PolarHBondContact O-N 2.7Å; I473-V476 PolarHBondContact O-N 3.22Å; I473-D477 WeakPolarHBondContact CG2-OD2 3.4Å; I473-D477 WeakPolarHBondContact O-CB 3.18Å; I473-D477 PolarHBondContact O-N 3.24Å |
| 474 | R | 89.9 | Confident | 88.7 | Confident | 84 Ų | 84 | 43.3 Ų | 43.3 | 32% | 0.317 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -61.4 | -41.4 | 178.1 | -72.9 | -163.8 | 75.4 | 94.3 | 6.1 | 112.7 | A428 T429 C433 S470 M471 I472 S478 | A428-R474 PolarHBondContact O-NH2 3.37Å; T429-R474 WeakPolarHBondContact O-CD 3.47Å; T429-R474 PolarHBondContact O-NE 3.41Å; C433-R474 WeakPolarHBondContact SG-CD 3.37Å; S470-R474 WeakPolarHBondContact O-CG 3.42Å; S470-R474 PolarHBondContact O-N 3.42Å; M471-R474 PolarHBondContact O-N 3.34Å; I472-R474 VanDerWaalsContact C-N 3.33Å; I472-R474 PolarHBondContact O-N 3.5Å; R474-S478 VanDerWaalsContact O-CB 3.22Å; R474-S478 WeakPolarHBondContact O-CB 3.47Å; R474-S478 PolarHBondContact O-N 2.55Å |
| 475 | I | 89.8 | Confident | 88.4 | Confident | 2 Ų | 2 | 44.3 Ų | 44.3 | 1% | 0.01 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.5 | -47.5 | 177.3 | -69.9 | 168.7 | 0 | 0 | 0 | 110.2 | T429 L430 M471 I472 I473 S478 F521 I553 F594 | T429-I475 HydrophobicContact CG2-CG1 4.22Å; L430-I475 HydrophobicContact CD2-CD1 4.27Å; L430-I475 HydrophobicContact CD2-CG1 4.07Å; M471-I475 HydrophobicContact CG-CD1 4.18Å; M471-I475 WeakPolarHBondContact O-CG1 3.37Å; M471-I475 PolarHBondContact O-N 3.28Å; I472-I475 PolarHBondContact O-N 3.29Å; I472-I475 VanDerWaalsContact O-N 3.17Å; I473-I475 VanDerWaalsContact C-N 3.34Å; I473-I475 PolarHBondContact O-N 2.7Å; I475-S478 PolarHBondContact O-N 3.48Å; I475-S478 PolarHBondContact O-OG 2.83Å; I475-F521 HydrophobicContact CD1-CB 4.3Å; I475-F521 HydrophobicContact CD1-CD1 4.46Å; I475-F521 HydrophobicContact CD1-CG 4.2Å; I475-F521 HydrophobicContact CG1-CD1 4.27Å; I475-F521 HydrophobicContact CG1-CE1 4.42Å; I475-F521 HydrophobicContact CG1-CG 4.4Å; I475-F521 HydrophobicContact CG2-CD2 4.03Å; I475-F521 HydrophobicContact CG2-CE2 3.77Å; I475-F521 HydrophobicContact CG2-CZ 4.08Å; I475-I553 HydrophobicContact CD1-CD1 4.03Å; I475-F594 HydrophobicContact CG2-CE2 4.35Å; I475-F594 HydrophobicContact CG2-CZ 4.3Å; I475-F594 VanDerWaalsContact O-CE2 3.29Å; I475-F594 WeakPolarHBondContact O-CE2 3.15Å |
| 476 | V | 85.5 | Confident | 88.4 | Confident | 14 Ų | 14 | 42.6 Ų | 42.6 | 9% | 0.085 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.6 | -47.4 | -179.2 | 175.1 | 0 | 0 | 0 | 0 | 111.2 | I472 I473 S478 S479 A588 | I472-V476 HydrophobicContact CG2-CG2 4.29Å; I472-V476 WeakPolarHBondContact O-CG2 3.34Å; I472-V476 PolarHBondContact O-N 2.91Å; I473-V476 PolarHBondContact O-N 3.22Å; V476-S478 PolarHBondContact O-N 3.05Å; V476-S479 WeakPolarHBondContact O-CB 3.19Å; V476-S479 PolarHBondContact O-N 3.4Å; V476-S479 PolarHBondContact O-OG 3.13Å; V476-A588 HydrophobicContact CG2-CB 4.43Å |
| 477 | D | 85.4 | Confident | 88.3 | Confident | 103 Ų | 103 | 40.5 Ų | 40.5 | 55% | 0.551 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -68.2 | -23.5 | -179 | -70.3 | -17.1 | 0 | 0 | 0 | 113.1 | I473 S479 | I473-D477 WeakPolarHBondContact CG2-OD2 3.4Å; I473-D477 WeakPolarHBondContact O-CB 3.18Å; I473-D477 PolarHBondContact O-N 3.24Å; D477-S479 PolarHBondContact O-N 3.08Å; D477-S479 VanDerWaalsContact O-N 3.16Å |
| 478 | S | 88.3 | Confident | 88.1 | Confident | 7 Ų | 7 | 41.3 Ų | 41.3 | 5% | 0.049 | 21% | 0.208 | C | C | . | . | G | 310 helix | trans | -66.8 | -12.2 | 176.2 | 78.8 | 0 | 0 | 0 | 0 | 113 | Y425 T429 R474 I475 V476 N480 H481 C482 | Y425-S478 WeakPolarHBondContact CE2-O 3.26Å; Y425-S478 PolarHBondContact OH-OG 3.35Å; T429-S478 VanDerWaalsContact OG1-CB 3.29Å; T429-S478 WeakPolarHBondContact OG1-CB 3.43Å; R474-S478 VanDerWaalsContact O-CB 3.22Å; R474-S478 WeakPolarHBondContact O-CB 3.47Å; R474-S478 PolarHBondContact O-N 2.55Å; I475-S478 PolarHBondContact O-N 3.48Å; I475-S478 PolarHBondContact O-OG 2.83Å; V476-S478 PolarHBondContact O-N 3.05Å; S478-N480 PolarHBondContact O-N 3.17Å; S478-H481 PolarHBondContact O-N 2.69Å; S478-C482 PolarHBondContact O-N 3.43Å |
| 479 | S | 85 | Confident | 88.2 | Confident | 3 Ų | 3 | 41.3 Ų | 41.3 | 2% | 0.021 | 21% | 0.208 | C | C | . | . | G | 310 helix | trans | -53.4 | -25.5 | -177.5 | 72 | 0 | 0 | 0 | 0 | 113.9 | V476 D477 R487 | V476-S479 WeakPolarHBondContact O-CB 3.19Å; V476-S479 PolarHBondContact O-N 3.4Å; V476-S479 PolarHBondContact O-OG 3.13Å; D477-S479 PolarHBondContact O-N 3.08Å; D477-S479 VanDerWaalsContact O-N 3.16Å; S479-R487 PolarHBondContact O-NH1 3.42Å; S479-R487 PolarHBondContact O-NH2 2.55Å |
| 480 | N | 80.1 | Confident | 88.4 | Confident | 99 Ų | 99 | 38 Ų | 38 | 53% | 0.529 | 19% | 0.193 | S | C | . | . | G | 310 helix | trans | -86.7 | -18 | -179.8 | -59.3 | -22.2 | 0 | 0 | 0 | 112.9 | S478 R487 R597 | S478-N480 PolarHBondContact O-N 3.17Å; N480-R487 PolarHBondContact O-NH2 3.11Å; N480-R597 PolarHBondContact OD1-NH1 3.41Å |
| 481 | H | 84.1 | Confident | 88.4 | Confident | 144 Ų | 144 | 39.7 Ų | 39.7 | 67% | 0.667 | 20% | 0.195 | S | C | * | . | S | Bend | trans | -101.1 | 4.3 | -178.3 | -58.3 | 91.2 | 0 | 0 | 0 | 113 | S478 | S478-H481 PolarHBondContact O-N 2.69Š|
| 482 | C | 85.7 | Confident | 88.5 | Confident | 6 Ų | 6 | 40.9 Ų | 40.9 | 4% | 0.041 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -65.4 | 130.6 | 176.7 | -173.1 | 0 | 0 | 0 | 0 | 110.5 | Y425 S478 R487 I598 | Y425-C482 HydrophobicContact CE2-CB 4.15Å; S478-C482 PolarHBondContact O-N 3.43Å; C482-R487 HydrophobicContact CB-CG 4.27Å; C482-R487 PolarHBondContact O-NE 2.95Å; C482-R487 PolarHBondContact O-NH2 3.2Å; C482-I598 HydrophobicContact CB-CD1 4.03Å; C482-I598 HydrophobicContact CB-CG1 3.89Å |
| 483 | P | 87.6 | Confident | 88.8 | Confident | 40 Ų | 40 | 40.6 Ų | 40.6 | 26% | 0.26 | 20% | 0.201 | S | C | . | . | trans | -54.5 | 138.9 | 177.7 | -27.2 | 34 | 0 | 0 | 0 | 112.4 | V421 L485 L486 R487 | V421-P483 HydrophobicContact CG1-CB 4.09Å; P483-L485 VanDerWaalsContact C-N 3.25Å; P483-L485 PolarHBondContact O-N 2.73Å; P483-L486 HydrophobicContact CG-CD1 4.28Å; P483-L486 PolarHBondContact O-N 3.1Å; P483-R487 PolarHBondContact O-N 2.9Å; P483-R487 VanDerWaalsContact O-N 3.17Å | ||
| 484 | Q | 86.1 | Confident | 89 | Confident | 95 Ų | 95 | 38.8 Ų | 38.8 | 44% | 0.444 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -56 | -40.9 | -175.9 | -174.7 | 58 | 32.9 | 0 | 0 | 112.5 | L486 R487 D488 | Q484-L486 VanDerWaalsContact C-N 3.3Å; Q484-L486 PolarHBondContact O-N 3.2Å; Q484-R487 WeakPolarHBondContact O-CB 3.33Å; Q484-R487 PolarHBondContact O-N 2.97Å; Q484-R487 VanDerWaalsContact O-N 3.14Å; Q484-D488 PolarHBondContact NE2-OD1 3.45Å; Q484-D488 PolarHBondContact O-N 3.28Å |
| 485 | L | 88.1 | Confident | 89.2 | Confident | 21 Ų | 21 | 38.3 Ų | 38.3 | 11% | 0.11 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -58.9 | -41.5 | 178.3 | -174.6 | 58.8 | 0 | 0 | 0 | 112 | V382 V421 P483 D488 I489 | V382-L485 HydrophobicContact CG1-CD1 3.72Å; V421-L485 HydrophobicContact CG1-CB 4.14Å; V421-L485 HydrophobicContact CG1-CD2 4.26Å; V421-L485 HydrophobicContact CG1-CG 4.5Å; V421-L485 HydrophobicContact CG2-CD2 3.86Å; P483-L485 VanDerWaalsContact C-N 3.25Å; P483-L485 PolarHBondContact O-N 2.73Å; L485-D488 PolarHBondContact O-N 3.07Å; L485-I489 VanDerWaalsContact O-CG1 3.24Å; L485-I489 WeakPolarHBondContact O-CG1 3.38Å; L485-I489 PolarHBondContact O-N 2.84Å |
| 486 | L | 91.2 | Very high | 89.4 | Confident | 2 Ų | 2 | 38.7 Ų | 38.7 | 1% | 0.01 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -67.9 | -38.7 | 176.9 | -75.6 | 173.8 | 0 | 0 | 0 | 112.3 | M418 V421 P483 Q484 D488 I489 F490 | M418-L486 HydrophobicContact CB-CD2 4.38Å; M418-L486 HydrophobicContact CG-CD2 3.99Å; V421-L486 HydrophobicContact CB-CD1 4.25Å; V421-L486 HydrophobicContact CB-CD2 4.17Å; V421-L486 HydrophobicContact CB-CG 4Å; V421-L486 HydrophobicContact CG1-CD1 4.05Å; V421-L486 HydrophobicContact CG1-CD2 4.32Å; V421-L486 HydrophobicContact CG1-CG 3.66Å; P483-L486 HydrophobicContact CG-CD1 4.28Å; P483-L486 PolarHBondContact O-N 3.1Å; Q484-L486 VanDerWaalsContact C-N 3.3Å; Q484-L486 PolarHBondContact O-N 3.2Å; L486-D488 VanDerWaalsContact C-N 3.3Å; L486-D488 PolarHBondContact O-N 2.72Å; L486-I489 PolarHBondContact O-N 2.67Å; L486-F490 HydrophobicContact CB-CD2 4.4Å; L486-F490 HydrophobicContact CB-CE2 3.84Å; L486-F490 HydrophobicContact CB-CZ 4.43Å; L486-F490 HydrophobicContact CD2-CZ 4.4Å; L486-F490 WeakPolarHBondContact O-CD2 3.5Å; L486-F490 VanDerWaalsContact O-CG 3.31Å; L486-F490 WeakPolarHBondContact O-CG 3.28Å; L486-F490 PolarHBondContact O-N 3.37Å |
| 487 | R | 91.1 | Very high | 89.8 | Confident | 24 Ų | 24 | 38.1 Ų | 38.1 | 9% | 0.091 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58.5 | -45.3 | 174.4 | -62 | -179.5 | -172.8 | -86 | -1.9 | 111.7 | S479 N480 C482 P483 Q484 I489 F490 K491 R597 I598 | S479-R487 PolarHBondContact O-NH1 3.42Å; S479-R487 PolarHBondContact O-NH2 2.55Å; N480-R487 PolarHBondContact O-NH2 3.11Å; C482-R487 HydrophobicContact CB-CG 4.27Å; C482-R487 PolarHBondContact O-NE 2.95Å; C482-R487 PolarHBondContact O-NH2 3.2Å; P483-R487 PolarHBondContact O-N 2.9Å; P483-R487 VanDerWaalsContact O-N 3.17Å; Q484-R487 WeakPolarHBondContact O-CB 3.33Å; Q484-R487 PolarHBondContact O-N 2.97Å; Q484-R487 VanDerWaalsContact O-N 3.14Å; R487-I489 VanDerWaalsContact C-N 3.3Å; R487-I489 PolarHBondContact O-N 3.41Å; R487-F490 PolarHBondContact O-N 2.73Å; R487-K491 WeakPolarHBondContact O-CB 3.48Å; R487-K491 PolarHBondContact O-N 3.02Å; R487-R597 PolarHBondContact NH1-O 2.9Å; R487-I598 VanDerWaalsContact CA-O 3.26Å; R487-I598 WeakPolarHBondContact CA-O 3.27Å; R487-I598 WeakPolarHBondContact CB-O 3.49Å |
| 488 | D | 90.7 | Very high | 90.2 | Very high | 25 Ų | 25 | 34.4 Ų | 34.4 | 13% | 0.134 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.3 | -39.8 | 177.8 | -67.2 | -14 | 0 | 0 | 0 | 111.5 | K383 Q484 L485 L486 K491 V492 | K383-D488 HydrophobicContact CD-CB 4.29Å; K383-D488 WeakPolarHBondContact CE-OD2 3.36Å; K383-D488 VanDerWaalsContact NZ-CG 3.32Å; K383-D488 IonicContact NZ-OD2 4Å; K383-D488 PolarHBondContact NZ-OD2 3.35Å; Q484-D488 PolarHBondContact NE2-OD1 3.45Å; Q484-D488 PolarHBondContact O-N 3.28Å; L485-D488 PolarHBondContact O-N 3.07Å; L486-D488 VanDerWaalsContact C-N 3.3Å; L486-D488 PolarHBondContact O-N 2.72Å; D488-K491 WeakPolarHBondContact O-CB 3.4Å; D488-K491 PolarHBondContact O-N 3.43Å; D488-V492 WeakPolarHBondContact O-CG2 3.44Å; D488-V492 PolarHBondContact O-N 3.26Å |
| 489 | I | 93.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.1 | -43.8 | 176 | -67.3 | -59.2 | 0 | 0 | 0 | 111.5 | V382 K383 V386 L417 L485 L486 R487 K491 V492 I493 | V382-I489 HydrophobicContact CG1-CD1 4.18Å; V382-I489 HydrophobicContact CG2-CD1 4.03Å; K383-I489 HydrophobicContact CG-CD1 4.24Å; V386-I489 HydrophobicContact CB-CD1 4.23Å; V386-I489 HydrophobicContact CG1-CG2 4.22Å; V386-I489 HydrophobicContact CG2-CD1 3.9Å; V386-I489 HydrophobicContact CG2-CG2 4.28Å; L417-I489 HydrophobicContact CD2-CD1 4.15Å; L417-I489 HydrophobicContact CD2-CG1 4Å; L417-I489 HydrophobicContact CD2-CG2 4.15Å; L485-I489 VanDerWaalsContact O-CG1 3.24Å; L485-I489 WeakPolarHBondContact O-CG1 3.38Å; L485-I489 PolarHBondContact O-N 2.84Å; L486-I489 PolarHBondContact O-N 2.67Å; R487-I489 VanDerWaalsContact C-N 3.3Å; R487-I489 PolarHBondContact O-N 3.41Å; I489-K491 VanDerWaalsContact C-N 3.29Å; I489-K491 PolarHBondContact O-N 3.3Å; I489-V492 PolarHBondContact O-N 2.88Å; I489-I493 HydrophobicContact CG2-CD1 3.96Å; I489-I493 VanDerWaalsContact O-CG1 3.29Å; I489-I493 WeakPolarHBondContact O-CG1 3.49Å; I489-I493 PolarHBondContact O-N 2.93Å |
| 490 | F | 93.8 | Very high | 90.8 | Very high | 2 Ų | 2 | 45.5 Ų | 45.5 | 1% | 0.009 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.5 | -35.6 | 175.1 | -62.8 | -45.1 | 0 | 0 | 0 | 112.1 | M418 L486 R487 I493 R494 L512 L516 I598 | M418-F490 HydrophobicContact CG-CE1 4.38Å; M418-F490 HydrophobicContact CG-CZ 4.29Å; M418-F490 HydrophobicContact SD-CE1 3.75Å; M418-F490 HydrophobicContact SD-CZ 3.88Å; L486-F490 HydrophobicContact CB-CD2 4.4Å; L486-F490 HydrophobicContact CB-CE2 3.84Å; L486-F490 HydrophobicContact CB-CZ 4.43Å; L486-F490 HydrophobicContact CD2-CZ 4.4Å; L486-F490 WeakPolarHBondContact O-CD2 3.5Å; L486-F490 VanDerWaalsContact O-CG 3.31Å; L486-F490 WeakPolarHBondContact O-CG 3.28Å; L486-F490 PolarHBondContact O-N 3.37Å; R487-F490 PolarHBondContact O-N 2.73Å; F490-I493 HydrophobicContact CD1-CD1 4.35Å; F490-I493 PolarHBondContact O-N 2.59Å; F490-R494 WeakPolarHBondContact O-CB 3.48Å; F490-R494 PolarHBondContact O-N 3.05Å; F490-L512 HydrophobicContact CB-CD2 3.9Å; F490-L512 HydrophobicContact CD1-CD2 4.15Å; F490-L512 HydrophobicContact CG-CD2 4.35Å; F490-L516 HydrophobicContact CD1-CD1 4.39Å; F490-L516 HydrophobicContact CD1-CG 4.37Å; F490-L516 HydrophobicContact CD2-CD1 4.38Å; F490-L516 HydrophobicContact CD2-CD2 4.43Å; F490-L516 HydrophobicContact CE1-CD1 4.29Å; F490-L516 HydrophobicContact CE1-CD2 3.93Å; F490-L516 HydrophobicContact CE1-CG 3.81Å; F490-L516 HydrophobicContact CE2-CD1 4.28Å; F490-L516 HydrophobicContact CE2-CD2 3.55Å; F490-L516 HydrophobicContact CE2-CG 4.15Å; F490-L516 HydrophobicContact CG-CD1 4.46Å; F490-L516 HydrophobicContact CZ-CD1 4.26Å; F490-L516 HydrophobicContact CZ-CD2 3.27Å; F490-L516 HydrophobicContact CZ-CG 3.7Å; F490-I598 HydrophobicContact CD2-CD1 4.25Å; F490-I598 HydrophobicContact CD2-CG1 3.98Å; F490-I598 HydrophobicContact CD2-CG2 4.31Å; F490-I598 HydrophobicContact CE2-CD1 4.07Å; F490-I598 HydrophobicContact CE2-CG1 4.25Å |
| 491 | K | 92.6 | Very high | 91.4 | Very high | 73 Ų | 73 | 43.3 Ų | 43.3 | 32% | 0.317 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -60.7 | -49.2 | 170.9 | 180 | 165 | 169.9 | 40.5 | 0 | 111.6 | R487 D488 I489 I493 R494 D495 S599 A601 | R487-K491 WeakPolarHBondContact O-CB 3.48Å; R487-K491 PolarHBondContact O-N 3.02Å; D488-K491 WeakPolarHBondContact O-CB 3.4Å; D488-K491 PolarHBondContact O-N 3.43Å; I489-K491 VanDerWaalsContact C-N 3.29Å; I489-K491 PolarHBondContact O-N 3.3Å; K491-I493 VanDerWaalsContact C-N 3.35Å; K491-I493 PolarHBondContact O-N 3Å; K491-R494 WeakPolarHBondContact O-CB 3.41Å; K491-R494 PolarHBondContact O-N 3.44Å; K491-D495 WeakPolarHBondContact CE-OD2 3.37Å; K491-D495 WeakPolarHBondContact CG-OD2 3.26Å; K491-D495 VanDerWaalsContact NZ-CG 3.31Å; K491-D495 IonicContact NZ-OD1 2.92Å; K491-D495 PolarHBondContact NZ-OD1 3.22Å; K491-D495 VanDerWaalsContact NZ-OD1 3.1Å; K491-D495 IonicContact NZ-OD2 3.34Å; K491-D495 PolarHBondContact NZ-OD2 3.42Å; K491-D495 WeakPolarHBondContact O-CB 3.3Å; K491-D495 PolarHBondContact O-N 2.96Å; K491-S599 VanDerWaalsContact CB-O 3.31Å; K491-S599 WeakPolarHBondContact CB-O 3.3Å; K491-A601 HydrophobicContact CD-CB 3.93Å |
| 492 | V | 94.2 | Very high | 91.5 | Very high | 25 Ų | 25 | 40.7 Ų | 40.7 | 15% | 0.152 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -57.6 | -47.6 | 177 | 168.3 | 0 | 0 | 0 | 0 | 111 | K383 V386 C387 D488 I489 R494 D495 V496 | K383-V492 HydrophobicContact CB-CG2 4.2Å; K383-V492 HydrophobicContact CG-CG2 4.5Å; V386-V492 HydrophobicContact CG1-CG1 4.37Å; C387-V492 HydrophobicContact CB-CG1 3.84Å; D488-V492 WeakPolarHBondContact O-CG2 3.44Å; D488-V492 PolarHBondContact O-N 3.26Å; I489-V492 PolarHBondContact O-N 2.88Å; V492-R494 VanDerWaalsContact C-N 3.29Å; V492-R494 PolarHBondContact O-N 2.94Å; V492-D495 PolarHBondContact O-N 3.45Å; V492-V496 HydrophobicContact CG1-CG2 4.21Å; V492-V496 WeakPolarHBondContact O-CB 3.46Å; V492-V496 VanDerWaalsContact O-CG2 3.22Å; V492-V496 WeakPolarHBondContact O-CG2 3.32Å; V492-V496 PolarHBondContact O-N 3.09Å |
| 493 | I | 94.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58.3 | -43.8 | 178.1 | -68.6 | 168.3 | 0 | 0 | 0 | 110.8 | V386 I414 I489 F490 K491 T497 V511 L512 F515 | V386-I493 HydrophobicContact CG1-CD1 4.29Å; V386-I493 HydrophobicContact CG1-CG1 3.81Å; I414-I493 HydrophobicContact CD1-CD1 4.37Å; I414-I493 HydrophobicContact CG2-CD1 4.08Å; I489-I493 HydrophobicContact CG2-CD1 3.96Å; I489-I493 VanDerWaalsContact O-CG1 3.29Å; I489-I493 WeakPolarHBondContact O-CG1 3.49Å; I489-I493 PolarHBondContact O-N 2.93Å; F490-I493 HydrophobicContact CD1-CD1 4.35Å; F490-I493 PolarHBondContact O-N 2.59Å; K491-I493 VanDerWaalsContact C-N 3.35Å; K491-I493 PolarHBondContact O-N 3Å; I493-T497 WeakPolarHBondContact O-CB 3.36Å; I493-T497 PolarHBondContact O-N 2.9Å; I493-T497 PolarHBondContact O-OG1 2.9Å; I493-V511 HydrophobicContact CG2-CB 4.42Å; I493-V511 HydrophobicContact CG2-CG1 3.3Å; I493-L512 HydrophobicContact CG2-CD2 4.37Å; I493-F515 HydrophobicContact CD1-CD2 4.15Å; I493-F515 HydrophobicContact CD1-CE2 4.3Å; I493-F515 HydrophobicContact CG2-CD2 4.44Å; I493-F515 HydrophobicContact CG2-CE2 4.41Å |
| 494 | R | 92 | Very high | 91.5 | Very high | 46 Ų | 46 | 51.3 Ų | 51.3 | 17% | 0.174 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.8 | -49.7 | 177.5 | -177.1 | -178.3 | -177.7 | 164.7 | 4.9 | 111.9 | F490 K491 V492 T497 A498 Q508 D596 S599 | F490-R494 WeakPolarHBondContact O-CB 3.48Å; F490-R494 PolarHBondContact O-N 3.05Å; K491-R494 WeakPolarHBondContact O-CB 3.41Å; K491-R494 PolarHBondContact O-N 3.44Å; V492-R494 VanDerWaalsContact C-N 3.29Å; V492-R494 PolarHBondContact O-N 2.94Å; R494-T497 PolarHBondContact O-N 3.21Å; R494-A498 WeakPolarHBondContact O-CB 3.34Å; R494-A498 PolarHBondContact O-N 3.3Å; R494-Q508 HydrophobicContact CG-CB 4.26Å; R494-Q508 HydrophobicContact CG-CG 4.44Å; R494-Q508 VanDerWaalsContact NE-OE1 3.12Å; R494-D596 IonicContact CZ-OD1 3.96Å; R494-D596 IonicContact NH1-OD1 3.37Å; R494-D596 PolarHBondContact NH1-OD1 3.03Å; R494-D596 IonicContact NH2-OD1 3.68Å; R494-D596 PolarHBondContact NH2-OD1 3.2Å; R494-S599 PolarHBondContact NH1-OG 2.96Å |
| 495 | D | 93.4 | Very high | 91.5 | Very high | 74 Ų | 74 | 49.7 Ų | 49.7 | 40% | 0.396 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -64 | -42.7 | -177.6 | -67.7 | -14.1 | 0 | 0 | 0 | 111.3 | K491 V492 A498 K499 | K491-D495 WeakPolarHBondContact CE-OD2 3.37Å; K491-D495 WeakPolarHBondContact CG-OD2 3.26Å; K491-D495 VanDerWaalsContact NZ-CG 3.31Å; K491-D495 IonicContact NZ-OD1 2.92Å; K491-D495 PolarHBondContact NZ-OD1 3.22Å; K491-D495 VanDerWaalsContact NZ-OD1 3.1Å; K491-D495 IonicContact NZ-OD2 3.34Å; K491-D495 PolarHBondContact NZ-OD2 3.42Å; K491-D495 WeakPolarHBondContact O-CB 3.3Å; K491-D495 PolarHBondContact O-N 2.96Å; V492-D495 PolarHBondContact O-N 3.45Å; D495-A498 PolarHBondContact O-N 3.5Å; D495-K499 PolarHBondContact O-N 2.91Å |
| 496 | V | 94.6 | Very high | 91.3 | Very high | 10 Ų | 10 | 51.1 Ų | 51.1 | 6% | 0.061 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.3 | -45 | 174.9 | 173.4 | 0 | 0 | 0 | 0 | 110.3 | C387 C390 S391 I394 V492 A498 K499 Y500 | C387-V496 HydrophobicContact CB-CG2 4.34Å; C387-V496 VanDerWaalsContact SG-CG2 3.56Å; C390-V496 HydrophobicContact CB-CG1 4.11Å; S391-V496 WeakPolarHBondContact OG-CG1 3.31Å; I394-V496 HydrophobicContact CD1-CG1 3.88Å; V492-V496 HydrophobicContact CG1-CG2 4.21Å; V492-V496 WeakPolarHBondContact O-CB 3.46Å; V492-V496 VanDerWaalsContact O-CG2 3.22Å; V492-V496 WeakPolarHBondContact O-CG2 3.32Å; V492-V496 PolarHBondContact O-N 3.09Å; V496-A498 VanDerWaalsContact C-N 3.33Å; V496-A498 PolarHBondContact O-N 2.98Å; V496-K499 WeakPolarHBondContact O-CB 3.49Å; V496-K499 PolarHBondContact O-N 3.02Å; V496-Y500 HydrophobicContact CG1-CD2 4.29Å; V496-Y500 HydrophobicContact CG1-CE2 4.06Å; V496-Y500 VanDerWaalsContact O-CD2 3.25Å; V496-Y500 WeakPolarHBondContact O-CD2 3.24Å; V496-Y500 PolarHBondContact O-N 3.43Å |
| 497 | T | 93.9 | Very high | 91.2 | Very high | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.006 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.8 | -41.4 | 176.9 | -54.9 | 0 | 0 | 0 | 0 | 111.5 | I493 R494 K499 Y500 Y501 V507 Q508 V511 | I493-T497 WeakPolarHBondContact O-CB 3.36Å; I493-T497 PolarHBondContact O-N 2.9Å; I493-T497 PolarHBondContact O-OG1 2.9Å; R494-T497 PolarHBondContact O-N 3.21Å; T497-K499 VanDerWaalsContact C-N 3.29Å; T497-K499 PolarHBondContact O-N 2.99Å; T497-Y500 PolarHBondContact O-N 3.37Å; T497-Y501 HydrophobicContact CG2-CD2 4.32Å; T497-Y501 PolarHBondContact O-N 2.89Å; T497-V507 HydrophobicContact CG2-CG1 3.81Å; T497-Q508 HydrophobicContact CG2-CG 4.18Å; T497-V511 HydrophobicContact CG2-CG2 3.99Å |
| 498 | A | 93.2 | Very high | 91.1 | Very high | 26 Ų | 26 | 50.8 Ų | 50.8 | 22% | 0.215 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -63.5 | -33 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | R494 D495 V496 Y500 Y501 P502 Q508 | R494-A498 WeakPolarHBondContact O-CB 3.34Å; R494-A498 PolarHBondContact O-N 3.3Å; D495-A498 PolarHBondContact O-N 3.5Å; V496-A498 VanDerWaalsContact C-N 3.33Å; V496-A498 PolarHBondContact O-N 2.98Å; A498-Y500 PolarHBondContact O-N 3.31Å; A498-Y501 CarbonylContact O-C 3.52Å; A498-Y501 PolarHBondContact O-N 2.89Å; A498-P502 WeakPolarHBondContact O-CA 3.45Å; A498-P502 WeakPolarHBondContact O-CD 3.31Å; A498-Q508 HydrophobicContact CB-CG 4.43Å |
| 499 | K | 94.2 | Very high | 91 | Very high | 166 Ų | 166 | 52.2 Ų | 52.2 | 72% | 0.722 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -62 | -41.1 | 175 | -175.2 | -177.8 | 176.3 | -176.9 | 0 | 112.5 | D495 V496 T497 | D495-K499 PolarHBondContact O-N 2.91Å; V496-K499 WeakPolarHBondContact O-CB 3.49Å; V496-K499 PolarHBondContact O-N 3.02Å; T497-K499 VanDerWaalsContact C-N 3.29Å; T497-K499 PolarHBondContact O-N 2.99Å |
| 500 | Y | 93.1 | Very high | 90.7 | Very high | 76 Ų | 76 | 52.6 Ų | 52.6 | 30% | 0.298 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -84.1 | -28.8 | 178.7 | -69.7 | -80.4 | 0 | 0 | 0 | 113 | I394 L395 V496 T497 A498 | I394-Y500 HydrophobicContact CB-CD2 4.25Å; I394-Y500 HydrophobicContact CD1-CD2 4.01Å; I394-Y500 HydrophobicContact CG2-CD1 4.1Å; I394-Y500 HydrophobicContact CG2-CD2 3.73Å; I394-Y500 HydrophobicContact CG2-CE2 4.38Å; I394-Y500 HydrophobicContact CG2-CG 3.59Å; L395-Y500 HydrophobicContact CD2-CD1 4.4Å; L395-Y500 HydrophobicContact CD2-CE1 3.6Å; L395-Y500 HydrophobicContact CG-CE1 3.93Å; V496-Y500 HydrophobicContact CG1-CD2 4.29Å; V496-Y500 HydrophobicContact CG1-CE2 4.06Å; V496-Y500 VanDerWaalsContact O-CD2 3.25Å; V496-Y500 WeakPolarHBondContact O-CD2 3.24Å; V496-Y500 PolarHBondContact O-N 3.43Å; T497-Y500 PolarHBondContact O-N 3.37Å; A498-Y500 PolarHBondContact O-N 3.31Å |
| 501 | Y | 92 | Very high | 90.6 | Very high | 54 Ų | 54 | 52.5 Ų | 52.5 | 21% | 0.212 | 26% | 0.256 | C | S | . | . | trans | -130.9 | 67.2 | -178.3 | -57.8 | -79.7 | 0 | 0 | 0 | 112.2 | I394 V400 L403 T497 A498 N503 R504 V507 | I394-Y501 HydrophobicContact CG2-CE2 3.87Å; V400-Y501 HydrophobicContact CG2-CE1 3.86Å; L403-Y501 HydrophobicContact CD2-CE2 4.43Å; T497-Y501 HydrophobicContact CG2-CD2 4.32Å; T497-Y501 PolarHBondContact O-N 2.89Å; A498-Y501 CarbonylContact O-C 3.52Å; A498-Y501 PolarHBondContact O-N 2.89Å; Y501-N503 VanDerWaalsContact C-N 3.25Å; Y501-N503 PolarHBondContact O-N 3.49Å; Y501-N503 VanDerWaalsContact O-N 3.14Å; Y501-R504 PolarHBondContact O-N 3.25Å; Y501-V507 HydrophobicContact CD2-CG1 3.94Å; Y501-V507 HydrophobicContact CE2-CG1 4.36Å; Y501-V507 HydrophobicContact CG-CG1 4.29Å | ||
| 502 | P | 87.1 | Confident | 90.5 | Very high | 89 Ų | 89 | 49 Ų | 49 | 58% | 0.578 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -26.2 | -169.6 | 21.8 | -33.4 | 0 | 0 | 0 | 114.7 | A498 | A498-P502 WeakPolarHBondContact O-CA 3.45Å; A498-P502 WeakPolarHBondContact O-CD 3.31Å |
| 503 | N | 85.4 | Confident | 90.3 | Very high | 151 Ų | 151 | 48 Ų | 48 | 81% | 0.807 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -103.6 | 9.8 | -177.1 | -61.7 | -29.8 | 0 | 0 | 0 | 113.8 | Y501 | Y501-N503 VanDerWaalsContact C-N 3.25Å; Y501-N503 PolarHBondContact O-N 3.49Å; Y501-N503 VanDerWaalsContact O-N 3.14Å |
| 504 | R | 86.9 | Confident | 90.1 | Very high | 117 Ų | 117 | 48.3 Ų | 48.3 | 44% | 0.442 | 24% | 0.236 | S | C | . | . | trans | -125.1 | 77.5 | -172.5 | -66.2 | -69.2 | -62.5 | -86.8 | -3.4 | 111.4 | Y501 D506 V507 Q508 | Y501-R504 PolarHBondContact O-N 3.25Å; R504-D506 VanDerWaalsContact C-OD1 3.28Å; R504-D506 VanDerWaalsContact CA-OD1 3.28Å; R504-D506 WeakPolarHBondContact CA-OD1 3.49Å; R504-D506 VanDerWaalsContact CB-OD1 3.32Å; R504-D506 WeakPolarHBondContact CB-OD1 3.38Å; R504-D506 WeakPolarHBondContact CD-OD1 3.45Å; R504-D506 IonicContact CZ-OD1 3.95Å; R504-D506 IonicContact CZ-OD2 3.66Å; R504-D506 IonicContact NE-OD1 3.82Å; R504-D506 PolarHBondContact NE-OD1 2.95Å; R504-D506 IonicContact NE-OD2 3.54Å; R504-D506 PolarHBondContact NE-OD2 3.45Å; R504-D506 VanDerWaalsContact NE-OD2 3.12Å; R504-D506 IonicContact NH2-OD1 2.67Å; R504-D506 IonicContact NH2-OD2 3.14Å; R504-D506 PolarHBondContact NH2-OD2 3.2Å; R504-D506 PolarHBondContact O-N 3.15Å; R504-V507 HydrophobicContact CB-CB 4.13Å; R504-V507 HydrophobicContact CB-CG2 3.71Å; R504-V507 HydrophobicContact CG-CG2 4.45Å; R504-V507 WeakPolarHBondContact O-CB 3.44Å; R504-V507 PolarHBondContact O-N 3.35Å; R504-V507 VanDerWaalsContact O-N 3.09Å; R504-Q508 PolarHBondContact O-N 3.49Å | ||
| 505 | V | 85.7 | Confident | 90.2 | Very high | 61 Ų | 61 | 46.1 Ų | 46.1 | 37% | 0.37 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -63.1 | -30.6 | 176.9 | -171.6 | 0 | 0 | 0 | 0 | 111.4 | V507 Q508 W509 | V505-V507 PolarHBondContact O-N 3.27Å; V505-Q508 WeakPolarHBondContact O-CB 3.24Å; V505-Q508 PolarHBondContact O-N 3.13Å; V505-Q508 VanDerWaalsContact O-N 3.12Å; V505-W509 HydrophobicContact CG1-CD2 4.03Å; V505-W509 HydrophobicContact CG1-CE3 4.43Å; V505-W509 HydrophobicContact CG1-CH2 3.9Å; V505-W509 HydrophobicContact CG1-CZ2 3.45Å; V505-W509 VanDerWaalsContact CG1-CZ2 3.45Å; V505-W509 HydrophobicContact CG1-CZ3 4.37Å; V505-W509 PolarHBondContact O-N 3.04Å |
| 506 | D | 85 | Confident | 90.1 | Very high | 52 Ų | 52 | 42.6 Ų | 42.6 | 28% | 0.278 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -56.4 | -37 | 172.4 | 62.9 | -50.1 | 0 | 0 | 0 | 112.4 | R504 W509 L510 | R504-D506 VanDerWaalsContact C-OD1 3.28Å; R504-D506 VanDerWaalsContact CA-OD1 3.28Å; R504-D506 WeakPolarHBondContact CA-OD1 3.49Å; R504-D506 VanDerWaalsContact CB-OD1 3.32Å; R504-D506 WeakPolarHBondContact CB-OD1 3.38Å; R504-D506 WeakPolarHBondContact CD-OD1 3.45Å; R504-D506 IonicContact CZ-OD1 3.95Å; R504-D506 IonicContact CZ-OD2 3.66Å; R504-D506 IonicContact NE-OD1 3.82Å; R504-D506 PolarHBondContact NE-OD1 2.95Å; R504-D506 IonicContact NE-OD2 3.54Å; R504-D506 PolarHBondContact NE-OD2 3.45Å; R504-D506 VanDerWaalsContact NE-OD2 3.12Å; R504-D506 IonicContact NH2-OD1 2.67Å; R504-D506 IonicContact NH2-OD2 3.14Å; R504-D506 PolarHBondContact NH2-OD2 3.2Å; R504-D506 PolarHBondContact O-N 3.15Å; D506-W509 PolarHBondContact O-N 3.08Å; D506-L510 WeakPolarHBondContact O-CB 3.47Å; D506-L510 PolarHBondContact O-N 3.43Å |
| 507 | V | 88.6 | Confident | 89.9 | Confident | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.006 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -72.2 | -37.6 | 177.7 | -178.9 | 0 | 0 | 0 | 0 | 111.1 | V400 L403 T497 Y501 R504 V505 W509 L510 V511 | V400-V507 HydrophobicContact CG1-CB 4.25Å; V400-V507 HydrophobicContact CG1-CG1 3.7Å; V400-V507 HydrophobicContact CG1-CG2 3.46Å; V400-V507 VanDerWaalsContact CG1-CG2 3.46Å; L403-V507 HydrophobicContact CD2-CG1 4.16Å; T497-V507 HydrophobicContact CG2-CG1 3.81Å; Y501-V507 HydrophobicContact CD2-CG1 3.94Å; Y501-V507 HydrophobicContact CE2-CG1 4.36Å; Y501-V507 HydrophobicContact CG-CG1 4.29Å; R504-V507 HydrophobicContact CB-CB 4.13Å; R504-V507 HydrophobicContact CB-CG2 3.71Å; R504-V507 HydrophobicContact CG-CG2 4.45Å; R504-V507 WeakPolarHBondContact O-CB 3.44Å; R504-V507 PolarHBondContact O-N 3.35Å; R504-V507 VanDerWaalsContact O-N 3.09Å; V505-V507 PolarHBondContact O-N 3.27Å; V507-W509 VanDerWaalsContact C-N 3.33Å; V507-W509 PolarHBondContact O-N 3.16Å; V507-L510 WeakPolarHBondContact O-CB 3.27Å; V507-L510 PolarHBondContact O-N 2.85Å; V507-V511 WeakPolarHBondContact O-CG2 3.44Å; V507-V511 PolarHBondContact O-N 3.2Å |
| 508 | Q | 89.3 | Confident | 89.7 | Confident | 17 Ų | 17 | 45.3 Ų | 45.3 | 8% | 0.079 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60 | -45.4 | 173.7 | -60.5 | 174.4 | 31.7 | 0 | 0 | 111 | R494 T497 A498 R504 V505 L510 V511 L512 | R494-Q508 HydrophobicContact CG-CB 4.26Å; R494-Q508 HydrophobicContact CG-CG 4.44Å; R494-Q508 VanDerWaalsContact NE-OE1 3.12Å; T497-Q508 HydrophobicContact CG2-CG 4.18Å; A498-Q508 HydrophobicContact CB-CG 4.43Å; R504-Q508 PolarHBondContact O-N 3.49Å; V505-Q508 WeakPolarHBondContact O-CB 3.24Å; V505-Q508 PolarHBondContact O-N 3.13Å; V505-Q508 VanDerWaalsContact O-N 3.12Å; Q508-L510 VanDerWaalsContact C-N 3.34Å; Q508-V511 PolarHBondContact O-N 2.95Å; Q508-L512 WeakPolarHBondContact O-CG 3.13Å; Q508-L512 PolarHBondContact O-N 3.29Å; Q508-L512 VanDerWaalsContact O-N 3.14Å |
| 509 | W | 87.1 | Confident | 89.7 | Confident | 55 Ų | 55 | 45.7 Ų | 45.7 | 21% | 0.208 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -67 | -34.7 | 175.9 | -60.8 | -32.7 | 0 | 0 | 0 | 112.7 | V505 D506 V507 L512 S513 V561 V590 | V505-W509 HydrophobicContact CG1-CD2 4.03Å; V505-W509 HydrophobicContact CG1-CE3 4.43Å; V505-W509 HydrophobicContact CG1-CH2 3.9Å; V505-W509 HydrophobicContact CG1-CZ2 3.45Å; V505-W509 VanDerWaalsContact CG1-CZ2 3.45Å; V505-W509 HydrophobicContact CG1-CZ3 4.37Å; V505-W509 PolarHBondContact O-N 3.04Å; D506-W509 PolarHBondContact O-N 3.08Å; V507-W509 VanDerWaalsContact C-N 3.33Å; V507-W509 PolarHBondContact O-N 3.16Å; W509-L512 PolarHBondContact O-N 3.16Å; W509-S513 WeakPolarHBondContact O-CB 3.15Å; W509-S513 PolarHBondContact O-N 3.35Å; W509-V561 HydrophobicContact CB-CG1 4.49Å; W509-V561 HydrophobicContact CB-CG2 4.04Å; W509-V590 HydrophobicContact CE3-CG1 4.24Å; W509-V590 HydrophobicContact CH2-CG1 4.19Å; W509-V590 HydrophobicContact CZ3-CG1 3.98Å |
| 510 | L | 89 | Confident | 89.6 | Confident | 9 Ų | 9 | 37.9 Ų | 37.9 | 5% | 0.047 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60 | -47.2 | 175.3 | -177 | 71.3 | 0 | 0 | 0 | 111.8 | V400 D506 V507 Q508 S513 S514 V561 | V400-L510 VanDerWaalsContact O-CD2 3.29Å; V400-L510 WeakPolarHBondContact O-CD2 3.49Å; D506-L510 WeakPolarHBondContact O-CB 3.47Å; D506-L510 PolarHBondContact O-N 3.43Å; V507-L510 WeakPolarHBondContact O-CB 3.27Å; V507-L510 PolarHBondContact O-N 2.85Å; Q508-L510 VanDerWaalsContact C-N 3.34Å; L510-S513 PolarHBondContact O-N 3.16Å; L510-S514 WeakPolarHBondContact O-CB 3.28Å; L510-S514 PolarHBondContact O-N 2.84Å; L510-V561 HydrophobicContact CB-CG1 3.5Å; L510-V561 VanDerWaalsContact CB-CG1 3.5Å; L510-V561 HydrophobicContact CD1-CG1 3.7Å; L510-V561 HydrophobicContact CG-CG1 4.21Å |
| 511 | V | 90.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.3 | -47.4 | 178.7 | 176.5 | 0 | 0 | 0 | 0 | 110.9 | L403 F404 I493 T497 V507 Q508 S513 S514 F515 | L403-V511 HydrophobicContact CD2-CG2 3.56Å; L403-V511 HydrophobicContact CG-CG2 4.07Å; F404-V511 HydrophobicContact CD2-CB 4.2Å; F404-V511 HydrophobicContact CD2-CG1 3.43Å; F404-V511 VanDerWaalsContact CD2-CG1 3.43Å; F404-V511 HydrophobicContact CD2-CG2 3.81Å; F404-V511 HydrophobicContact CE2-CG1 3.68Å; F404-V511 HydrophobicContact CE2-CG2 4.11Å; F404-V511 HydrophobicContact CG-CG1 4.37Å; I493-V511 HydrophobicContact CG2-CB 4.42Å; I493-V511 HydrophobicContact CG2-CG1 3.3Å; T497-V511 HydrophobicContact CG2-CG2 3.99Å; V507-V511 WeakPolarHBondContact O-CG2 3.44Å; V507-V511 PolarHBondContact O-N 3.2Å; Q508-V511 PolarHBondContact O-N 2.95Å; V511-S513 VanDerWaalsContact C-N 3.35Å; V511-S513 PolarHBondContact O-N 3.42Å; V511-S514 WeakPolarHBondContact O-CB 3.33Å; V511-S514 PolarHBondContact O-N 3.11Å; V511-S514 VanDerWaalsContact O-N 3.16Å; V511-F515 HydrophobicContact CG1-CD2 4.06Å; V511-F515 HydrophobicContact CG1-CE2 3.87Å; V511-F515 WeakPolarHBondContact O-CD2 3.4Å; V511-F515 PolarHBondContact O-N 2.84Å |
| 512 | L | 91.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.2 | -42.1 | 178 | -69.7 | 177.9 | 0 | 0 | 0 | 112.2 | F490 I493 Q508 W509 S514 F515 L516 F595 | F490-L512 HydrophobicContact CB-CD2 3.9Å; F490-L512 HydrophobicContact CD1-CD2 4.15Å; F490-L512 HydrophobicContact CG-CD2 4.35Å; I493-L512 HydrophobicContact CG2-CD2 4.37Å; Q508-L512 WeakPolarHBondContact O-CG 3.13Å; Q508-L512 PolarHBondContact O-N 3.29Å; Q508-L512 VanDerWaalsContact O-N 3.14Å; W509-L512 PolarHBondContact O-N 3.16Å; L512-S514 VanDerWaalsContact C-N 3.31Å; L512-S514 PolarHBondContact O-N 2.81Å; L512-F515 PolarHBondContact O-N 3.38Å; L512-L516 WeakPolarHBondContact O-CB 3.24Å; L512-L516 PolarHBondContact O-N 3.45Å; L512-F595 HydrophobicContact CB-CD1 3.72Å; L512-F595 HydrophobicContact CB-CE1 3.98Å; L512-F595 HydrophobicContact CD1-CB 4.27Å; L512-F595 HydrophobicContact CD1-CD1 4.33Å |
| 513 | S | 89.6 | Confident | 90 | Very high | 3 Ų | 3 | 28.7 Ų | 28.7 | 2% | 0.021 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -59.1 | -42.1 | 174.4 | 170 | 0 | 0 | 0 | 0 | 112.1 | W509 L510 V511 F515 V517 M518 S557 | W509-S513 WeakPolarHBondContact O-CB 3.15Å; W509-S513 PolarHBondContact O-N 3.35Å; L510-S513 PolarHBondContact O-N 3.16Å; V511-S513 VanDerWaalsContact C-N 3.35Å; V511-S513 PolarHBondContact O-N 3.42Å; S513-F515 PolarHBondContact O-N 2.83Å; S513-V517 WeakPolarHBondContact O-CA 3.06Å; S513-V517 WeakPolarHBondContact O-CB 3.22Å; S513-V517 PolarHBondContact O-N 3.44Å; S513-M518 PolarHBondContact O-N 3.06Å; S513-M518 VanDerWaalsContact O-N 3.15Å; S513-S557 WeakPolarHBondContact CB-OG 3.34Å; S513-S557 PolarHBondContact OG-OG 3.42Å |
| 514 | S | 90.8 | Very high | 90.4 | Very high | 6 Ų | 6 | 21.5 Ų | 21.5 | 4% | 0.042 | 10% | 0.104 | C | C | . | . | I | π-helix | trans | -61.2 | -31.7 | 179.3 | -161.9 | 0 | 0 | 0 | 0 | 113.3 | F404 L510 V511 L512 M518 R519 | F404-S514 PolarHBondContact O-OG 3.22Å; L510-S514 WeakPolarHBondContact O-CB 3.28Å; L510-S514 PolarHBondContact O-N 2.84Å; V511-S514 WeakPolarHBondContact O-CB 3.33Å; V511-S514 PolarHBondContact O-N 3.11Å; V511-S514 VanDerWaalsContact O-N 3.16Å; L512-S514 VanDerWaalsContact C-N 3.31Å; L512-S514 PolarHBondContact O-N 2.81Å; S514-M518 WeakPolarHBondContact O-CB 3.33Å; S514-R519 WeakPolarHBondContact O-CG 3.47Å; S514-R519 PolarHBondContact O-N 3.04Å; S514-R519 PolarHBondContact O-NH1 3.06Å; S514-R519 PolarHBondContact OG-NH1 3.09Å |
| 515 | F | 92.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.083 | C | C | . | . | I | π-helix | trans | -88.5 | -55.9 | 176.4 | -72.3 | -64.8 | 0 | 0 | 0 | 112.7 | F404 I414 M418 I493 V511 L512 S513 R519 F520 | F404-F515 HydrophobicContact CB-CE2 4.02Å; F404-F515 HydrophobicContact CB-CZ 3.97Å; F404-F515 AromaticContact CD1-CE2 3.87Å; F404-F515 HydrophobicContact CD1-CE2 3.87Å; F404-F515 AromaticContact CD1-CZ 3.48Å; F404-F515 HydrophobicContact CD1-CZ 3.48Å; F404-F515 VanDerWaalsContact CD1-CZ 3.48Å; F404-F515 HydrophobicContact CD2-CE2 4.06Å; F404-F515 HydrophobicContact CD2-CZ 4.49Å; F404-F515 HydrophobicContact CE1-CE2 4.36Å; F404-F515 HydrophobicContact CE1-CZ 4.07Å; F404-F515 AromaticContact CG-CE2 3.72Å; F404-F515 HydrophobicContact CG-CE2 3.72Å; F404-F515 AromaticContact CG-CZ 3.74Å; F404-F515 HydrophobicContact CG-CZ 3.74Å; I414-F515 HydrophobicContact CB-CD1 4.15Å; I414-F515 HydrophobicContact CB-CE1 3.69Å; I414-F515 HydrophobicContact CB-CZ 4.21Å; I414-F515 HydrophobicContact CD1-CE1 3.98Å; I414-F515 HydrophobicContact CD1-CE2 4.22Å; I414-F515 HydrophobicContact CD1-CZ 3.58Å; I414-F515 HydrophobicContact CG1-CE1 4.45Å; I414-F515 HydrophobicContact CG2-CD1 3.56Å; I414-F515 HydrophobicContact CG2-CE1 3.58Å; I414-F515 HydrophobicContact CG2-CG 4.1Å; I414-F515 HydrophobicContact CG2-CZ 4.12Å; M418-F515 HydrophobicContact CE-CB 3.87Å; M418-F515 HydrophobicContact CE-CD1 3.91Å; M418-F515 HydrophobicContact CE-CG 4.36Å; M418-F515 WeakPolarHBondContact CE-O 3.36Å; M418-F515 HydrophobicContact SD-CB 3.93Å; I493-F515 HydrophobicContact CD1-CD2 4.15Å; I493-F515 HydrophobicContact CD1-CE2 4.3Å; I493-F515 HydrophobicContact CG2-CD2 4.44Å; I493-F515 HydrophobicContact CG2-CE2 4.41Å; V511-F515 HydrophobicContact CG1-CD2 4.06Å; V511-F515 HydrophobicContact CG1-CE2 3.87Å; V511-F515 WeakPolarHBondContact O-CD2 3.4Å; V511-F515 PolarHBondContact O-N 2.84Å; L512-F515 PolarHBondContact O-N 3.38Å; S513-F515 PolarHBondContact O-N 2.83Å; F515-R519 CarbonylContact O-C 3.45Å; F515-R519 WeakPolarHBondContact O-CB 3.35Å; F515-R519 PolarHBondContact O-N 3.4Å; F515-F520 PolarHBondContact O-N 3.41Å |
| 516 | L | 91.7 | Very high | 91.1 | Very high | 1 Ų | 1 | 17.8 Ų | 17.8 | 1% | 0.005 | 9% | 0.09 | C | C | . | . | I | π-helix | trans | -70.3 | -49.6 | -174.1 | -78.7 | 164.2 | 0 | 0 | 0 | 112.6 | F490 L512 F520 F521 F594 F595 I598 | F490-L516 HydrophobicContact CD1-CD1 4.39Å; F490-L516 HydrophobicContact CD1-CG 4.37Å; F490-L516 HydrophobicContact CD2-CD1 4.38Å; F490-L516 HydrophobicContact CD2-CD2 4.43Å; F490-L516 HydrophobicContact CE1-CD1 4.29Å; F490-L516 HydrophobicContact CE1-CD2 3.93Å; F490-L516 HydrophobicContact CE1-CG 3.81Å; F490-L516 HydrophobicContact CE2-CD1 4.28Å; F490-L516 HydrophobicContact CE2-CD2 3.55Å; F490-L516 HydrophobicContact CE2-CG 4.15Å; F490-L516 HydrophobicContact CG-CD1 4.46Å; F490-L516 HydrophobicContact CZ-CD1 4.26Å; F490-L516 HydrophobicContact CZ-CD2 3.27Å; F490-L516 HydrophobicContact CZ-CG 3.7Å; L512-L516 WeakPolarHBondContact O-CB 3.24Å; L512-L516 PolarHBondContact O-N 3.45Å; L516-F520 WeakPolarHBondContact O-CB 3.27Å; L516-F521 HydrophobicContact CD2-CE2 4.36Å; L516-F521 WeakPolarHBondContact O-CD2 3.45Å; L516-F521 PolarHBondContact O-N 2.98Å; L516-F594 HydrophobicContact CB-CE1 4.47Å; L516-F594 HydrophobicContact CD1-CE1 3.96Å; L516-F594 HydrophobicContact CD1-CZ 4.5Å; L516-F595 HydrophobicContact CB-CE1 4.41Å; L516-F595 HydrophobicContact CD1-CD1 4.04Å; L516-F595 HydrophobicContact CD1-CE1 4.05Å; L516-I598 HydrophobicContact CD1-CD1 4.15Å; L516-I598 HydrophobicContact CD1-CG2 3.76Å; L516-I598 HydrophobicContact CD2-CD1 3.94Å |
| 517 | V | 91 | Very high | 91.3 | Very high | 1 Ų | 1 | 19.2 Ų | 19.2 | 1% | 0.006 | 10% | 0.098 | C | C | . | . | I | π-helix | trans | -84.1 | -53.1 | -171.9 | -175.1 | 0 | 0 | 0 | 0 | 110.4 | S513 A522 I553 F589 F595 | S513-V517 WeakPolarHBondContact O-CA 3.06Å; S513-V517 WeakPolarHBondContact O-CB 3.22Å; S513-V517 PolarHBondContact O-N 3.44Å; V517-A522 WeakPolarHBondContact O-CB 3.17Å; V517-A522 PolarHBondContact O-N 3.45Å; V517-I553 HydrophobicContact CG1-CG2 3.71Å; V517-F589 HydrophobicContact CG1-CZ 4.41Å; V517-F589 HydrophobicContact CG2-CE1 3.89Å; V517-F589 HydrophobicContact CG2-CZ 3.6Å; V517-F595 HydrophobicContact CG2-CE1 4.43Å; V517-F595 HydrophobicContact CG2-CZ 3.98Å |
| 518 | M | 89.5 | Confident | 91.3 | Very high | 67 Ų | 67 | 19.3 Ų | 19.3 | 33% | 0.33 | 10% | 0.099 | S | C | . | . | I | π-helix | trans | -75.4 | -44.6 | -173.3 | -64.1 | -66.2 | -61.6 | 0 | 0 | 112.7 | S513 S514 Q554 | S513-M518 PolarHBondContact O-N 3.06Å; S513-M518 VanDerWaalsContact O-N 3.15Å; S514-M518 WeakPolarHBondContact O-CB 3.33Å; M518-Q554 HydrophobicContact CE-CG 4.39Å; M518-Q554 VanDerWaalsContact CE-NE2 3.34Å; M518-Q554 HydrophobicContact SD-CB 3.9Å; M518-Q554 VanDerWaalsContact SD-CD 3.53Å; M518-Q554 HydrophobicContact SD-CG 3.49Å; M518-Q554 WeakPolarHBondContact SD-CG 3.46Å; M518-Q554 PolarHBondContact SD-NE2 3.29Å; M518-Q554 VanDerWaalsContact SD-NE2 3.44Å |
| 519 | R | 92.1 | Very high | 90.9 | Very high | 33 Ų | 33 | 21.9 Ų | 21.9 | 13% | 0.125 | 11% | 0.109 | C | C | . | . | I | π-helix | trans | -97 | -21.7 | -171.4 | -80.6 | -178.4 | -178.1 | 76.2 | -5.5 | 114.5 | F404 R405 N406 F415 M418 S514 F515 A523 | F404-R519 PolarHBondContact O-NH1 2.92Å; F404-R519 PolarHBondContact O-NH2 3.13Å; R405-R519 PolarHBondContact O-NH2 3.29Å; N406-R519 PolarHBondContact O-NH2 2.7Å; F415-R519 HydrophobicContact CD2-CB 4.1Å; F415-R519 WeakPolarHBondContact CD2-O 3.38Å; F415-R519 WeakPolarHBondContact CE2-O 3.36Å; M418-R519 HydrophobicContact CE-CB 4.19Å; S514-R519 WeakPolarHBondContact O-CG 3.47Å; S514-R519 PolarHBondContact O-N 3.04Å; S514-R519 PolarHBondContact O-NH1 3.06Å; S514-R519 PolarHBondContact OG-NH1 3.09Å; F515-R519 CarbonylContact O-C 3.45Å; F515-R519 WeakPolarHBondContact O-CB 3.35Å; F515-R519 PolarHBondContact O-N 3.4Å; R519-A523 WeakPolarHBondContact O-CB 3.4Å |
| 520 | F | 93.2 | Very high | 90.5 | Very high | 2 Ų | 2 | 21.5 Ų | 21.5 | 1% | 0.009 | 12% | 0.116 | C | C | . | . | I | π-helix | trans | -105.5 | -69.5 | -178.5 | -170.3 | -117.9 | 0 | 0 | 0 | 111.4 | M418 Y425 L426 F515 L516 A524 | M418-F520 HydrophobicContact CB-CD2 3.95Å; M418-F520 HydrophobicContact CB-CE2 4.28Å; M418-F520 HydrophobicContact CE-CB 4.33Å; M418-F520 WeakPolarHBondContact O-CE2 3.2Å; M418-F520 HydrophobicContact SD-CB 4.27Å; Y425-F520 AromaticContact CD1-CE1 3.7Å; Y425-F520 HydrophobicContact CD1-CE1 3.7Å; Y425-F520 HydrophobicContact CD1-CZ 4.09Å; Y425-F520 AromaticContact CE1-CE1 3.82Å; Y425-F520 HydrophobicContact CE1-CE1 3.82Å; L426-F520 HydrophobicContact CB-CE1 4.3Å; L426-F520 HydrophobicContact CB-CE2 4.41Å; L426-F520 HydrophobicContact CB-CZ 3.79Å; L426-F520 HydrophobicContact CD1-CD1 4.19Å; L426-F520 HydrophobicContact CD1-CE1 3.83Å; L426-F520 HydrophobicContact CD1-CE2 4.39Å; L426-F520 HydrophobicContact CD1-CZ 3.95Å; L426-F520 HydrophobicContact CD2-CE2 4.29Å; L426-F520 HydrophobicContact CD2-CZ 4.41Å; L426-F520 HydrophobicContact CG-CZ 4.28Å; F515-F520 PolarHBondContact O-N 3.41Å; L516-F520 WeakPolarHBondContact O-CB 3.27Å; F520-A524 VanDerWaalsContact O-CB 3.25Å; F520-A524 WeakPolarHBondContact O-CB 3.43Å; F520-A524 PolarHBondContact O-N 3.14Å; F520-A524 VanDerWaalsContact O-N 3.11Å |
| 521 | F | 93.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 12% | 0.118 | C | C | . | . | I | π-helix | trans | -68.9 | -49.7 | -177.4 | -63.3 | -60.1 | 0 | 0 | 0 | 113.5 | Y425 L426 T429 L430 I475 L516 A523 A524 L525 F594 | Y425-F521 HydrophobicContact CE1-CE1 4.29Å; Y425-F521 AromaticContact CE1-CZ 3.93Å; Y425-F521 HydrophobicContact CE1-CZ 3.93Å; L426-F521 HydrophobicContact CD1-CD1 3.86Å; L426-F521 HydrophobicContact CD1-CE1 4.19Å; T429-F521 HydrophobicContact CG2-CE1 4.16Å; L430-F521 HydrophobicContact CD1-CD1 4.24Å; L430-F521 HydrophobicContact CD2-CD1 4.15Å; L430-F521 HydrophobicContact CG-CD1 4.34Å; I475-F521 HydrophobicContact CD1-CB 4.3Å; I475-F521 HydrophobicContact CD1-CD1 4.46Å; I475-F521 HydrophobicContact CD1-CG 4.2Å; I475-F521 HydrophobicContact CG1-CD1 4.27Å; I475-F521 HydrophobicContact CG1-CE1 4.42Å; I475-F521 HydrophobicContact CG1-CG 4.4Å; I475-F521 HydrophobicContact CG2-CD2 4.03Å; I475-F521 HydrophobicContact CG2-CE2 3.77Å; I475-F521 HydrophobicContact CG2-CZ 4.08Å; L516-F521 HydrophobicContact CD2-CE2 4.36Å; L516-F521 WeakPolarHBondContact O-CD2 3.45Å; L516-F521 PolarHBondContact O-N 2.98Å; F521-A523 PolarHBondContact O-N 3Å; F521-A524 WeakPolarHBondContact O-CB 3.33Å; F521-A524 PolarHBondContact O-N 2.9Å; F521-L525 WeakPolarHBondContact O-CG 3.49Å; F521-L525 PolarHBondContact O-N 3.43Å; F521-F594 HydrophobicContact CE2-CE1 4.29Å; F521-F594 AromaticContact CE2-CZ 3.77Å; F521-F594 HydrophobicContact CE2-CZ 3.77Å; F521-F594 HydrophobicContact CZ-CZ 4.18Å |
| 522 | A | 93.2 | Very high | 89.8 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64.1 | -41.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | V517 A524 L525 L526 T550 Q554 | V517-A522 WeakPolarHBondContact O-CB 3.17Å; V517-A522 PolarHBondContact O-N 3.45Å; A522-A524 VanDerWaalsContact C-N 3.28Å; A522-A524 PolarHBondContact O-N 3.1Å; A522-L525 PolarHBondContact O-N 3.42Å; A522-L526 WeakPolarHBondContact O-CG 3.32Å; A522-L526 PolarHBondContact O-N 3.23Å; A522-T550 HydrophobicContact CB-CG2 3.47Å; A522-T550 VanDerWaalsContact CB-CG2 3.47Å; A522-Q554 HydrophobicContact CB-CG 3.94Å; A522-Q554 VanDerWaalsContact CB-NE2 3.31Å |
| 523 | A | 93.7 | Very high | 89.5 | Confident | 26 Ų | 26 | 25 Ų | 25 | 22% | 0.215 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -59.6 | -41.2 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | F415 R519 F521 L526 N527 F531 | F415-A523 HydrophobicContact CE2-CB 4.49Å; R519-A523 WeakPolarHBondContact O-CB 3.4Å; F521-A523 PolarHBondContact O-N 3Å; A523-L526 PolarHBondContact O-N 3.36Å; A523-N527 PolarHBondContact O-N 3.49Å; A523-F531 HydrophobicContact CB-CE2 3.93Å; A523-F531 HydrophobicContact CB-CZ 3.76Å |
| 524 | A | 93.8 | Very high | 89.1 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -68.3 | -36 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114 | L426 L430 F520 F521 A522 N527 P528 F531 L533 | L426-A524 HydrophobicContact CD1-CB 3.78Å; L426-A524 HydrophobicContact CD2-CB 3.62Å; L426-A524 HydrophobicContact CG-CB 4.07Å; L430-A524 HydrophobicContact CD1-CB 3.77Å; F520-A524 VanDerWaalsContact O-CB 3.25Å; F520-A524 WeakPolarHBondContact O-CB 3.43Å; F520-A524 PolarHBondContact O-N 3.14Å; F520-A524 VanDerWaalsContact O-N 3.11Å; F521-A524 WeakPolarHBondContact O-CB 3.33Å; F521-A524 PolarHBondContact O-N 2.9Å; A522-A524 VanDerWaalsContact C-N 3.28Å; A522-A524 PolarHBondContact O-N 3.1Å; A524-N527 CarbonylContact O-C 3.59Å; A524-P528 VanDerWaalsContact O-CA 3.29Å; A524-P528 WeakPolarHBondContact O-CA 3.29Å; A524-F531 VanDerWaalsContact CA-CD2 3.46Å; A524-F531 HydrophobicContact CB-CB 4.29Å; A524-F531 HydrophobicContact CB-CD1 4.12Å; A524-F531 HydrophobicContact CB-CD2 3.94Å; A524-F531 HydrophobicContact CB-CE1 4.39Å; A524-F531 HydrophobicContact CB-CE2 4.25Å; A524-F531 HydrophobicContact CB-CG 3.86Å; A524-F531 HydrophobicContact CB-CZ 4.45Å; A524-L533 HydrophobicContact CB-CD1 3.96Å |
| 525 | L | 94.4 | Very high | 88.3 | Confident | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -70.2 | -38.6 | 175.3 | -70.4 | 176.5 | 0 | 0 | 0 | 112.4 | L430 L434 M471 F521 A522 I549 T550 I553 | L430-L525 HydrophobicContact CD1-CD2 4.11Å; L430-L525 HydrophobicContact CD1-CG 4.24Å; L430-L525 HydrophobicContact CD2-CD2 4.39Å; L434-L525 HydrophobicContact CD2-CD2 3.95Å; L434-L525 HydrophobicContact CG-CD2 4.48Å; M471-L525 HydrophobicContact CE-CD1 4.35Å; M471-L525 HydrophobicContact CE-CD2 3.37Å; M471-L525 HydrophobicContact CG-CD1 4.34Å; M471-L525 HydrophobicContact SD-CD2 3.86Å; F521-L525 WeakPolarHBondContact O-CG 3.49Å; F521-L525 PolarHBondContact O-N 3.43Å; A522-L525 PolarHBondContact O-N 3.42Å; L525-I549 HydrophobicContact CD1-CG2 4.44Å; L525-T550 VanDerWaalsContact CB-OG1 3.3Å; L525-T550 WeakPolarHBondContact CB-OG1 3.5Å; L525-I553 HydrophobicContact CD1-CD1 3.63Å |
| 526 | L | 92.5 | Very high | 87.4 | Confident | 99 Ų | 99 | 39.1 Ų | 39.1 | 52% | 0.518 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -74.1 | -30.4 | 178.3 | -68.1 | 171.5 | 0 | 0 | 0 | 112.7 | A522 A523 A547 T550 | A522-L526 WeakPolarHBondContact O-CG 3.32Å; A522-L526 PolarHBondContact O-N 3.23Å; A523-L526 PolarHBondContact O-N 3.36Å; L526-A547 HydrophobicContact CD2-CB 4.23Å; L526-T550 HydrophobicContact CD1-CG2 4.06Å; L526-T550 HydrophobicContact CD2-CG2 4.27Å; L526-T550 HydrophobicContact CG-CG2 3.97Å |
| 527 | N | 88.1 | Confident | 86.5 | Confident | 83 Ų | 83 | 44.1 Ų | 44.1 | 44% | 0.444 | 24% | 0.239 | S | C | . | . | trans | -133.8 | 70.6 | 178.1 | -168 | -8.7 | 0 | 0 | 0 | 113.2 | A523 A524 K529 S530 F531 | A523-N527 PolarHBondContact O-N 3.49Å; A524-N527 CarbonylContact O-C 3.59Å; N527-K529 PolarHBondContact O-N 3.4Å; N527-K529 VanDerWaalsContact O-N 3.16Å; N527-S530 WeakPolarHBondContact CB-OG 3.48Å; N527-S530 WeakPolarHBondContact ND2-CB 3.41Å; N527-S530 PolarHBondContact ND2-OG 2.88Å; N527-S530 PolarHBondContact O-N 3.26Å; N527-S530 PolarHBondContact O-OG 2.71Å; N527-S530 PolarHBondContact OD1-N 3.26Å; N527-S530 PolarHBondContact OD1-OG 2.85Å; N527-F531 WeakPolarHBondContact O-CD2 3.02Å | ||
| 528 | P | 88.9 | Confident | 86 | Confident | 3 Ų | 3 | 45.8 Ų | 45.8 | 2% | 0.019 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -30.6 | -175.2 | -25.6 | 35.2 | 0 | 0 | 0 | 114.7 | L434 A524 F531 G532 L533 R534 L546 | L434-P528 HydrophobicContact CD1-CB 4.39Å; A524-P528 VanDerWaalsContact O-CA 3.29Å; A524-P528 WeakPolarHBondContact O-CA 3.29Å; P528-F531 PolarHBondContact O-N 3.11Å; P528-G532 PolarHBondContact O-N 3.26Å; P528-L533 HydrophobicContact CB-CB 4.14Å; P528-L533 WeakPolarHBondContact O-CB 3.46Å; P528-L533 PolarHBondContact O-N 3.17Å; P528-R534 HydrophobicContact CB-CB 4.25Å; P528-R534 HydrophobicContact CB-CG 4.25Å; P528-L546 HydrophobicContact CG-CD1 4.03Å |
| 529 | K | 82.3 | Confident | 85.7 | Confident | 70 Ų | 70 | 45.3 Ų | 45.3 | 30% | 0.304 | 25% | 0.249 | S | C | . | . | G | 310 helix | trans | -64.8 | -46.5 | 179.1 | -169.6 | -177.8 | -177.4 | -174.9 | 0 | 111.2 | E55 N527 F531 G532 R534 L537 | E55-K529 VanDerWaalsContact CD-NZ 3.28Å; E55-K529 IonicContact OE1-NZ 3.95Å; E55-K529 PolarHBondContact OE1-NZ 3.3Å; E55-K529 IonicContact OE2-NZ 3.89Å; E55-K529 PolarHBondContact OE2-NZ 2.79Å; N527-K529 PolarHBondContact O-N 3.4Å; N527-K529 VanDerWaalsContact O-N 3.16Å; K529-F531 PolarHBondContact O-N 3.36Å; K529-F531 VanDerWaalsContact O-N 3.13Å; K529-G532 PolarHBondContact O-N 3.29Å; K529-R534 WeakPolarHBondContact CA-O 3.47Å; K529-L537 HydrophobicContact CD-CD2 4Å |
| 530 | S | 78.8 | Confident | 85.4 | Confident | 48 Ų | 48 | 49 Ų | 49 | 34% | 0.336 | 28% | 0.279 | S | S | . | . | G | 310 helix | trans | -66.5 | -15.4 | -177.3 | 71.6 | 0 | 0 | 0 | 0 | 115.1 | K419 N527 | K419-S530 VanDerWaalsContact CE-O 3.3Å; K419-S530 WeakPolarHBondContact CE-O 3.33Å; K419-S530 PolarHBondContact NZ-O 3.23Å; K419-S530 VanDerWaalsContact NZ-O 3.08Å; N527-S530 WeakPolarHBondContact CB-OG 3.48Å; N527-S530 WeakPolarHBondContact ND2-CB 3.41Å; N527-S530 PolarHBondContact ND2-OG 2.88Å; N527-S530 PolarHBondContact O-N 3.26Å; N527-S530 PolarHBondContact O-OG 2.71Å; N527-S530 PolarHBondContact OD1-N 3.26Å; N527-S530 PolarHBondContact OD1-OG 2.85Å |
| 531 | F | 85.4 | Confident | 85.2 | Confident | 21 Ų | 21 | 51.2 Ų | 51.2 | 9% | 0.092 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -107.4 | 6.5 | 177.3 | -74.1 | -92.2 | 0 | 0 | 0 | 113 | F415 K419 L426 A523 A524 N527 P528 K529 L533 | F415-F531 HydrophobicContact CE2-CZ 4.02Å; F415-F531 HydrophobicContact CZ-CZ 4Å; K419-F531 HydrophobicContact CD-CE1 4.36Å; K419-F531 HydrophobicContact CG-CD1 4.31Å; K419-F531 HydrophobicContact CG-CE1 4.16Å; L426-F531 HydrophobicContact CD2-CB 3.74Å; L426-F531 HydrophobicContact CD2-CD1 3.28Å; L426-F531 HydrophobicContact CD2-CE1 4.11Å; L426-F531 HydrophobicContact CD2-CG 3.79Å; A523-F531 HydrophobicContact CB-CE2 3.93Å; A523-F531 HydrophobicContact CB-CZ 3.76Å; A524-F531 VanDerWaalsContact CA-CD2 3.46Å; A524-F531 HydrophobicContact CB-CB 4.29Å; A524-F531 HydrophobicContact CB-CD1 4.12Å; A524-F531 HydrophobicContact CB-CD2 3.94Å; A524-F531 HydrophobicContact CB-CE1 4.39Å; A524-F531 HydrophobicContact CB-CE2 4.25Å; A524-F531 HydrophobicContact CB-CG 3.86Å; A524-F531 HydrophobicContact CB-CZ 4.45Å; N527-F531 WeakPolarHBondContact O-CD2 3.02Å; P528-F531 PolarHBondContact O-N 3.11Å; K529-F531 PolarHBondContact O-N 3.36Å; K529-F531 VanDerWaalsContact O-N 3.13Å; F531-L533 VanDerWaalsContact C-N 3.26Å; F531-L533 HydrophobicContact CB-CD1 4.29Å; F531-L533 HydrophobicContact CB-CG 4.17Å; F531-L533 PolarHBondContact O-N 3.03Å |
| 532 | G | 79 | Confident | 85.1 | Confident | 58 Ų | 58 | 51.3 Ų | 51.3 | 60% | 0.598 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.9 | 16.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | P528 K529 | P528-G532 PolarHBondContact O-N 3.26Å; K529-G532 PolarHBondContact O-N 3.29Å |
| 533 | L | 85.1 | Confident | 85 | Confident | 2 Ų | 2 | 54.2 Ų | 54.2 | 1% | 0.01 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -78.4 | -29.9 | -179.5 | -60.4 | 175 | 0 | 0 | 0 | 112 | L426 V427 L430 K431 L434 A524 P528 F531 | L426-L533 HydrophobicContact CD2-CD1 4.44Å; L426-L533 HydrophobicContact CG-CD1 4.39Å; L426-L533 HydrophobicContact CG-CD2 4.29Å; V427-L533 HydrophobicContact CB-CD2 4.2Å; V427-L533 HydrophobicContact CG2-CD2 3.8Å; L430-L533 HydrophobicContact CB-CD1 4.21Å; L430-L533 HydrophobicContact CD1-CD1 4.06Å; K431-L533 HydrophobicContact CB-CD2 4.5Å; L434-L533 HydrophobicContact CD1-CB 3.82Å; L434-L533 HydrophobicContact CD1-CD1 3.6Å; L434-L533 HydrophobicContact CD1-CG 4.24Å; A524-L533 HydrophobicContact CB-CD1 3.96Å; P528-L533 HydrophobicContact CB-CB 4.14Å; P528-L533 WeakPolarHBondContact O-CB 3.46Å; P528-L533 PolarHBondContact O-N 3.17Å; F531-L533 VanDerWaalsContact C-N 3.26Å; F531-L533 HydrophobicContact CB-CD1 4.29Å; F531-L533 HydrophobicContact CB-CG 4.17Å; F531-L533 PolarHBondContact O-N 3.03Å |
| 534 | R | 81.6 | Confident | 84.9 | Confident | 43 Ų | 43 | 55.1 Ų | 55.1 | 16% | 0.162 | 31% | 0.31 | C | S | . | . | trans | -147 | 149.7 | -179 | -67.8 | -61.8 | -63.8 | -120.9 | -8.7 | 110.9 | D435 F438 P528 K529 D536 | D435-R534 WeakPolarHBondContact OD1-CD 3.27Å; D435-R534 IonicContact OD1-CZ 3.83Å; D435-R534 IonicContact OD1-NE 3.56Å; D435-R534 IonicContact OD1-NH1 2.71Å; D435-R534 PolarHBondContact OD1-NH1 3.03Å; F438-R534 VanDerWaalsContact CD1-CZ 3.47Å; F438-R534 HydrophobicContact CE2-CG 4.09Å; F438-R534 VanDerWaalsContact CG-CZ 3.48Å; F438-R534 VanDerWaalsContact CG-NH1 3.32Å; F438-R534 HydrophobicContact CZ-CG 4.08Å; P528-R534 HydrophobicContact CB-CB 4.25Å; P528-R534 HydrophobicContact CB-CG 4.25Å; K529-R534 WeakPolarHBondContact CA-O 3.47Å; R534-D536 IonicContact CZ-OD2 3.6Å; R534-D536 IonicContact NE-OD2 3.73Å; R534-D536 IonicContact NH2-OD2 3.87Å; R534-D536 PolarHBondContact NH2-OD2 3.43Å | ||
| 535 | Q | 73.7 | Confident | 85 | Confident | 172 Ų | 172 | 55.2 Ų | 55.2 | 80% | 0.804 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -93.1 | -33.6 | 170.5 | -65.5 | -175.7 | -2.4 | 0 | 0 | 111.8 | ||
| 536 | D | 73.9 | Confident | 85 | Confident | 92 Ų | 92 | 55.3 Ų | 55.3 | 49% | 0.492 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -77.2 | 143.7 | 179.6 | -31.6 | -58.1 | 0 | 0 | 0 | 111.4 | R534 | R534-D536 IonicContact CZ-OD2 3.6Å; R534-D536 IonicContact NE-OD2 3.73Å; R534-D536 IonicContact NH2-OD2 3.87Å; R534-D536 PolarHBondContact NH2-OD2 3.43Å |
| 537 | L | 73.5 | Confident | 85.1 | Confident | 105 Ų | 105 | 51.8 Ų | 51.8 | 55% | 0.55 | 30% | 0.296 | S | S | . | . | P | Polyproline II helix | trans | -74.9 | 136.9 | 170.7 | -69.3 | 165 | 0 | 0 | 0 | 109.8 | K529 | K529-L537 HydrophobicContact CD-CD2 4Š|
| 538 | P | 79.5 | Confident | 85.4 | Confident | 36 Ų | 36 | 47.9 Ų | 47.9 | 23% | 0.234 | 28% | 0.275 | C | S | . | . | P | Polyproline II helix | trans | -65.6 | 138 | 174.5 | 27.7 | -32.8 | 0 | 0 | 0 | 110.2 | F438 V542 | F438-P538 HydrophobicContact CE1-CB 4.12Å; F438-P538 HydrophobicContact CZ-CB 3.85Å; P538-V542 HydrophobicContact CB-CB 4.03Å; P538-V542 HydrophobicContact CB-CG1 3.76Å |
| 539 | D | 83.4 | Confident | 85.7 | Confident | 58 Ų | 58 | 47.7 Ų | 47.7 | 31% | 0.31 | 27% | 0.274 | S | S | . | . | P | Polyproline II helix | trans | -68.2 | 171.2 | 168.1 | 64.5 | 32.5 | 0 | 0 | 0 | 110.9 | R441 N541 V542 S543 | R441-D539 IonicContact CZ-OD2 3.1Å; R441-D539 IonicContact NE-OD2 3.76Å; R441-D539 IonicContact NH1-OD2 2.7Å; R441-D539 PolarHBondContact NH1-OD2 3.44Å; D539-N541 PolarHBondContact O-N 3.29Å; D539-N541 VanDerWaalsContact O-N 3.16Å; D539-N541 PolarHBondContact OD1-N 3.3Å; D539-N541 VanDerWaalsContact OD1-N 3.16Å; D539-V542 PolarHBondContact O-N 3.38Å; D539-V542 WeakPolarHBondContact OD1-CG2 3.48Å; D539-V542 PolarHBondContact OD1-N 2.71Å; D539-S543 VanDerWaalsContact O-CB 3.26Å; D539-S543 WeakPolarHBondContact O-CB 3.33Å; D539-S543 PolarHBondContact O-N 3.36Å |
| 540 | S | 86.1 | Confident | 86.2 | Confident | 109 Ų | 109 | 44.5 Ų | 44.5 | 76% | 0.762 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -56.9 | -33.6 | -177.1 | -173 | 0 | 0 | 0 | 0 | 113 | R544 | S540-R544 VanDerWaalsContact O-CB 3.3Å; S540-R544 WeakPolarHBondContact O-CB 3.4Å; S540-R544 PolarHBondContact O-N 3.07Å; S540-R544 VanDerWaalsContact O-N 3.11Å |
| 541 | N | 88 | Confident | 86.8 | Confident | 50 Ų | 50 | 44.8 Ų | 44.8 | 27% | 0.267 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -73.9 | -49.5 | -179.2 | -178.5 | 35 | 0 | 0 | 0 | 110.9 | R441 D539 S543 R544 T545 | R441-N541 PolarHBondContact O-ND2 3.37Å; D539-N541 PolarHBondContact O-N 3.29Å; D539-N541 VanDerWaalsContact O-N 3.16Å; D539-N541 PolarHBondContact OD1-N 3.3Å; D539-N541 VanDerWaalsContact OD1-N 3.16Å; N541-S543 VanDerWaalsContact C-N 3.34Å; N541-S543 PolarHBondContact O-N 3.38Å; N541-R544 PolarHBondContact O-N 2.86Å; N541-T545 PolarHBondContact O-N 3.41Å; N541-T545 PolarHBondContact O-OG1 3.39Å |
| 542 | V | 91.1 | Very high | 87 | Confident | 2 Ų | 2 | 43.8 Ų | 43.8 | 1% | 0.012 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.1 | -43.5 | 176.7 | 174.3 | 0 | 0 | 0 | 0 | 110.6 | I437 F438 R441 P538 D539 R544 T545 L546 | I437-V542 HydrophobicContact CG2-CG1 4.19Å; F438-V542 HydrophobicContact CD1-CG1 4.36Å; F438-V542 HydrophobicContact CD2-CG1 3.9Å; F438-V542 HydrophobicContact CE1-CG1 4.2Å; F438-V542 HydrophobicContact CE2-CG1 3.74Å; F438-V542 HydrophobicContact CG-CG1 4.24Å; F438-V542 HydrophobicContact CZ-CG1 3.91Å; R441-V542 HydrophobicContact CG-CG2 4.25Å; P538-V542 HydrophobicContact CB-CB 4.03Å; P538-V542 HydrophobicContact CB-CG1 3.76Å; D539-V542 PolarHBondContact O-N 3.38Å; D539-V542 WeakPolarHBondContact OD1-CG2 3.48Å; D539-V542 PolarHBondContact OD1-N 2.71Å; V542-R544 VanDerWaalsContact C-N 3.32Å; V542-R544 PolarHBondContact O-N 2.97Å; V542-T545 PolarHBondContact O-N 2.96Å; V542-L546 HydrophobicContact CG1-CD1 3.94Å; V542-L546 HydrophobicContact CG1-CG 4.21Å; V542-L546 VanDerWaalsContact O-CG 3.27Å; V542-L546 WeakPolarHBondContact O-CG 3.41Å; V542-L546 PolarHBondContact O-N 2.93Å |
| 543 | S | 91.2 | Very high | 87.5 | Confident | 60 Ų | 60 | 41.1 Ų | 41.1 | 42% | 0.42 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -57.8 | -44.9 | 176.8 | -177.6 | 0 | 0 | 0 | 0 | 111.6 | D539 N541 L546 A547 | D539-S543 VanDerWaalsContact O-CB 3.26Å; D539-S543 WeakPolarHBondContact O-CB 3.33Å; D539-S543 PolarHBondContact O-N 3.36Å; N541-S543 VanDerWaalsContact C-N 3.34Å; N541-S543 PolarHBondContact O-N 3.38Å; S543-L546 PolarHBondContact O-N 2.74Å; S543-A547 WeakPolarHBondContact O-CB 3.47Å; S543-A547 PolarHBondContact O-N 2.89Å |
| 544 | R | 92.9 | Very high | 87.6 | Confident | 46 Ų | 46 | 43 Ų | 43 | 17% | 0.174 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.2 | -45.8 | 175.6 | -179.6 | 56.8 | 172.2 | 169.9 | 2.6 | 112.1 | E445 S540 N541 V542 L546 A547 L548 | E445-R544 IonicContact OE1-CZ 3.57Å; E445-R544 IonicContact OE1-NE 2.81Å; E445-R544 PolarHBondContact OE1-NE 2.96Å; E445-R544 IonicContact OE1-NH2 2.91Å; E445-R544 PolarHBondContact OE1-NH2 2.91Å; E445-R544 WeakPolarHBondContact OE2-CG 3.44Å; E445-R544 IonicContact OE2-CZ 3.38Å; E445-R544 IonicContact OE2-NE 3.35Å; E445-R544 PolarHBondContact OE2-NE 3.49Å; E445-R544 IonicContact OE2-NH2 2.97Å; E445-R544 PolarHBondContact OE2-NH2 3.4Å; S540-R544 VanDerWaalsContact O-CB 3.3Å; S540-R544 WeakPolarHBondContact O-CB 3.4Å; S540-R544 PolarHBondContact O-N 3.07Å; S540-R544 VanDerWaalsContact O-N 3.11Å; N541-R544 PolarHBondContact O-N 2.86Å; V542-R544 VanDerWaalsContact C-N 3.32Å; V542-R544 PolarHBondContact O-N 2.97Å; R544-L546 PolarHBondContact O-N 2.67Å; R544-A547 WeakPolarHBondContact O-CB 3.24Å; R544-A547 PolarHBondContact O-N 2.93Å; R544-L548 HydrophobicContact CG-CD1 4.32Å; R544-L548 WeakPolarHBondContact O-CG 3.47Å; R544-L548 PolarHBondContact O-N 3.43Å |
| 545 | T | 94.5 | Very high | 87.8 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.006 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -57.9 | -47.1 | 175.9 | -67.3 | 0 | 0 | 0 | 0 | 111.8 | I437 C444 Y467 N541 V542 A547 L548 I549 | I437-T545 HydrophobicContact CG2-CG2 4.07Å; C444-T545 HydrophobicContact CB-CG2 3.96Å; C444-T545 WeakPolarHBondContact CB-OG1 3.26Å; C444-T545 VanDerWaalsContact SG-CG2 3.56Å; Y467-T545 HydrophobicContact CD2-CG2 4.01Å; Y467-T545 HydrophobicContact CE2-CG2 4.37Å; N541-T545 PolarHBondContact O-N 3.41Å; N541-T545 PolarHBondContact O-OG1 3.39Å; V542-T545 PolarHBondContact O-N 2.96Å; T545-A547 VanDerWaalsContact C-N 3.32Å; T545-A547 PolarHBondContact O-N 3.43Å; T545-L548 PolarHBondContact O-N 2.86Å; T545-I549 HydrophobicContact CG2-CD1 3.83Å; T545-I549 WeakPolarHBondContact O-CG1 3.23Å; T545-I549 PolarHBondContact O-N 3.31Å |
| 546 | L | 95.2 | Very high | 88.2 | Confident | 4 Ų | 4 | 37.1 Ų | 37.1 | 2% | 0.021 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.6 | -38.6 | 177.1 | -66.7 | 175.4 | 0 | 0 | 0 | 112 | L434 I437 F438 P528 V542 S543 R544 T550 | L434-L546 HydrophobicContact CD2-CD1 4.38Å; L434-L546 HydrophobicContact CD2-CD2 3.41Å; L434-L546 VanDerWaalsContact CD2-CD2 3.41Å; I437-L546 HydrophobicContact CD1-CD2 4.1Å; I437-L546 HydrophobicContact CG2-CD2 4.49Å; F438-L546 HydrophobicContact CE2-CD1 4.17Å; P528-L546 HydrophobicContact CG-CD1 4.03Å; V542-L546 HydrophobicContact CG1-CD1 3.94Å; V542-L546 HydrophobicContact CG1-CG 4.21Å; V542-L546 VanDerWaalsContact O-CG 3.27Å; V542-L546 WeakPolarHBondContact O-CG 3.41Å; V542-L546 PolarHBondContact O-N 2.93Å; S543-L546 PolarHBondContact O-N 2.74Å; R544-L546 PolarHBondContact O-N 2.67Å; L546-T550 WeakPolarHBondContact O-CB 3.5Å; L546-T550 PolarHBondContact O-N 3.47Å; L546-T550 PolarHBondContact O-OG1 2.95Å |
| 547 | A | 94.5 | Very high | 88.6 | Confident | 25 Ų | 25 | 32.8 Ų | 32.8 | 21% | 0.207 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.6 | -42.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L526 S543 R544 T545 T550 K551 | L526-A547 HydrophobicContact CD2-CB 4.23Å; S543-A547 WeakPolarHBondContact O-CB 3.47Å; S543-A547 PolarHBondContact O-N 2.89Å; R544-A547 WeakPolarHBondContact O-CB 3.24Å; R544-A547 PolarHBondContact O-N 2.93Å; T545-A547 VanDerWaalsContact C-N 3.32Å; T545-A547 PolarHBondContact O-N 3.43Å; A547-T550 PolarHBondContact O-N 3.35Å; A547-K551 WeakPolarHBondContact O-CG 3.32Å; A547-K551 PolarHBondContact O-N 3.28Å |
| 548 | L | 94.6 | Very high | 89 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -66.9 | -44 | 177.7 | -67.4 | 172.1 | 0 | 0 | 0 | 112 | C444 V446 L464 R544 T545 T550 K551 V552 F572 M573 | C444-L548 WeakPolarHBondContact O-CD1 3.42Å; V446-L548 HydrophobicContact CG2-CD1 4.24Å; V446-L548 HydrophobicContact CG2-CD2 4.3Å; L464-L548 HydrophobicContact CD1-CB 3.73Å; L464-L548 HydrophobicContact CD2-CB 4.17Å; R544-L548 HydrophobicContact CG-CD1 4.32Å; R544-L548 WeakPolarHBondContact O-CG 3.47Å; R544-L548 PolarHBondContact O-N 3.43Å; T545-L548 PolarHBondContact O-N 2.86Å; L548-T550 VanDerWaalsContact C-N 3.3Å; L548-T550 PolarHBondContact O-N 3.4Å; L548-K551 WeakPolarHBondContact O-CB 3.25Å; L548-K551 PolarHBondContact O-N 3.39Å; L548-V552 WeakPolarHBondContact O-CG2 3.4Å; L548-V552 PolarHBondContact O-N 3.29Å; L548-F572 HydrophobicContact CD2-CE2 4.47Å; L548-M573 HydrophobicContact CD2-CE 4.3Å; L548-M573 HydrophobicContact CD2-SD 3.74Å |
| 549 | I | 94.1 | Very high | 88.9 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59.2 | -44.7 | 174 | -66.4 | 164.2 | 0 | 0 | 0 | 110.4 | I437 L464 Y467 M471 L525 T545 K551 V552 I553 | I437-I549 HydrophobicContact CD1-CD1 3.62Å; L464-I549 HydrophobicContact CD1-CG1 3.87Å; Y467-I549 HydrophobicContact CG-CD1 4.47Å; M471-I549 HydrophobicContact CB-CG2 4.2Å; M471-I549 HydrophobicContact CE-CG2 4.14Å; M471-I549 HydrophobicContact CG-CG2 4.25Å; L525-I549 HydrophobicContact CD1-CG2 4.44Å; T545-I549 HydrophobicContact CG2-CD1 3.83Å; T545-I549 WeakPolarHBondContact O-CG1 3.23Å; T545-I549 PolarHBondContact O-N 3.31Å; I549-K551 VanDerWaalsContact C-N 3.33Å; I549-K551 PolarHBondContact O-N 3Å; I549-V552 PolarHBondContact O-N 3.4Å; I549-I553 HydrophobicContact CG2-CD1 3.84Å; I549-I553 WeakPolarHBondContact O-CG1 3.46Å; I549-I553 PolarHBondContact O-N 2.65Å |
| 550 | T | 93.9 | Very high | 88.4 | Confident | 2 Ų | 2 | 27.7 Ų | 27.7 | 1% | 0.012 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.4 | -43.4 | 177.6 | -59 | 0 | 0 | 0 | 0 | 111.4 | A522 L525 L526 L546 A547 L548 V552 I553 Q554 | A522-T550 HydrophobicContact CB-CG2 3.47Å; A522-T550 VanDerWaalsContact CB-CG2 3.47Å; L525-T550 VanDerWaalsContact CB-OG1 3.3Å; L525-T550 WeakPolarHBondContact CB-OG1 3.5Å; L526-T550 HydrophobicContact CD1-CG2 4.06Å; L526-T550 HydrophobicContact CD2-CG2 4.27Å; L526-T550 HydrophobicContact CG-CG2 3.97Å; L546-T550 WeakPolarHBondContact O-CB 3.5Å; L546-T550 PolarHBondContact O-N 3.47Å; L546-T550 PolarHBondContact O-OG1 2.95Å; A547-T550 PolarHBondContact O-N 3.35Å; L548-T550 VanDerWaalsContact C-N 3.3Å; L548-T550 PolarHBondContact O-N 3.4Å; T550-V552 VanDerWaalsContact C-N 3.35Å; T550-V552 PolarHBondContact O-N 2.99Å; T550-I553 PolarHBondContact O-N 2.64Å; T550-Q554 HydrophobicContact CG2-CG 4.17Å; T550-Q554 WeakPolarHBondContact O-CB 3.39Å; T550-Q554 WeakPolarHBondContact O-CG 3.24Å; T550-Q554 PolarHBondContact O-N 2.96Å |
| 551 | K | 91.2 | Very high | 87.8 | Confident | 54 Ų | 54 | 22.9 Ų | 22.9 | 24% | 0.235 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -59.7 | -43.9 | 175.2 | -75.8 | -177.2 | -178.8 | -168.6 | 0 | 111.8 | A547 L548 I549 I553 Q554 R555 E570 M573 | A547-K551 WeakPolarHBondContact O-CG 3.32Å; A547-K551 PolarHBondContact O-N 3.28Å; L548-K551 WeakPolarHBondContact O-CB 3.25Å; L548-K551 PolarHBondContact O-N 3.39Å; I549-K551 VanDerWaalsContact C-N 3.33Å; I549-K551 PolarHBondContact O-N 3Å; K551-I553 PolarHBondContact O-N 3.48Å; K551-Q554 PolarHBondContact O-N 3.22Å; K551-R555 VanDerWaalsContact O-CB 3.23Å; K551-R555 WeakPolarHBondContact O-CB 3.48Å; K551-R555 WeakPolarHBondContact O-CG 3.37Å; K551-R555 PolarHBondContact O-N 3.38Å; K551-E570 IonicContact NZ-OE1 2.87Å; K551-E570 PolarHBondContact NZ-OE1 3.23Å; K551-M573 HydrophobicContact CB-CE 4.39Å |
| 552 | V | 90 | Very high | 86.9 | Confident | 1 Ų | 1 | 22.5 Ų | 22.5 | 1% | 0.006 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -58.6 | -48.7 | 176.4 | 173.8 | 0 | 0 | 0 | 0 | 110.6 | A468 I472 L548 I549 T550 R555 L556 M573 I576 F580 | A468-V552 HydrophobicContact CB-CB 4.35Å; A468-V552 HydrophobicContact CB-CG1 4.03Å; I472-V552 HydrophobicContact CD1-CG1 4.45Å; L548-V552 WeakPolarHBondContact O-CG2 3.4Å; L548-V552 PolarHBondContact O-N 3.29Å; I549-V552 PolarHBondContact O-N 3.4Å; T550-V552 VanDerWaalsContact C-N 3.35Å; T550-V552 PolarHBondContact O-N 2.99Å; V552-R555 PolarHBondContact O-N 3.06Å; V552-L556 VanDerWaalsContact O-CB 3.26Å; V552-L556 WeakPolarHBondContact O-CB 3.4Å; V552-L556 PolarHBondContact O-N 3.27Å; V552-M573 HydrophobicContact CG2-CE 3.96Å; V552-I576 HydrophobicContact CG2-CG2 3.88Å; V552-F580 HydrophobicContact CG1-CD2 3.55Å; V552-F580 HydrophobicContact CG1-CE2 3.79Å; V552-F580 HydrophobicContact CG1-CG 3.99Å; V552-F580 HydrophobicContact CG1-CZ 4.39Å |
| 553 | I | 89.4 | Confident | 85.6 | Confident | 1 Ų | 1 | 25.4 Ų | 25.4 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -63 | -47.2 | -179.6 | -67.7 | 166.6 | 0 | 0 | 0 | 111.9 | M471 I472 I475 V517 L525 I549 T550 K551 S557 | M471-I553 HydrophobicContact CB-CD1 4.28Å; M471-I553 HydrophobicContact CG-CD1 3.74Å; I472-I553 HydrophobicContact CG1-CG1 4.07Å; I475-I553 HydrophobicContact CD1-CD1 4.03Å; V517-I553 HydrophobicContact CG1-CG2 3.71Å; L525-I553 HydrophobicContact CD1-CD1 3.63Å; I549-I553 HydrophobicContact CG2-CD1 3.84Å; I549-I553 WeakPolarHBondContact O-CG1 3.46Å; I549-I553 PolarHBondContact O-N 2.65Å; T550-I553 PolarHBondContact O-N 2.64Å; K551-I553 PolarHBondContact O-N 3.48Å; I553-S557 WeakPolarHBondContact O-CB 3.23Å; I553-S557 PolarHBondContact O-N 3.45Å |
| 554 | Q | 87.7 | Confident | 84.3 | Confident | 41 Ų | 41 | 30 Ų | 30 | 19% | 0.192 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -64.5 | -40.9 | 179.1 | -71 | -178 | -26.4 | 0 | 0 | 111.8 | M518 A522 T550 K551 S557 N558 | M518-Q554 HydrophobicContact CE-CG 4.39Å; M518-Q554 VanDerWaalsContact CE-NE2 3.34Å; M518-Q554 HydrophobicContact SD-CB 3.9Å; M518-Q554 VanDerWaalsContact SD-CD 3.53Å; M518-Q554 HydrophobicContact SD-CG 3.49Å; M518-Q554 WeakPolarHBondContact SD-CG 3.46Å; M518-Q554 PolarHBondContact SD-NE2 3.29Å; M518-Q554 VanDerWaalsContact SD-NE2 3.44Å; A522-Q554 HydrophobicContact CB-CG 3.94Å; A522-Q554 VanDerWaalsContact CB-NE2 3.31Å; T550-Q554 HydrophobicContact CG2-CG 4.17Å; T550-Q554 WeakPolarHBondContact O-CB 3.39Å; T550-Q554 WeakPolarHBondContact O-CG 3.24Å; T550-Q554 PolarHBondContact O-N 2.96Å; K551-Q554 PolarHBondContact O-N 3.22Å; Q554-S557 PolarHBondContact O-N 2.81Å; Q554-N558 PolarHBondContact O-N 3Å; Q554-N558 PolarHBondContact O-ND2 3.42Å |
| 555 | R | 84.6 | Confident | 82.8 | Confident | 86 Ų | 86 | 37.4 Ų | 37.4 | 33% | 0.325 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -69 | -44.1 | 178.7 | -70.8 | -69.4 | -174.3 | -162.3 | 0.1 | 111.6 | K551 V552 S557 N558 F559 L566 E570 W577 | K551-R555 VanDerWaalsContact O-CB 3.23Å; K551-R555 WeakPolarHBondContact O-CB 3.48Å; K551-R555 WeakPolarHBondContact O-CG 3.37Å; K551-R555 PolarHBondContact O-N 3.38Å; V552-R555 PolarHBondContact O-N 3.06Å; R555-S557 VanDerWaalsContact C-N 3.32Å; R555-S557 PolarHBondContact O-N 3.33Å; R555-N558 PolarHBondContact O-N 3.25Å; R555-F559 WeakPolarHBondContact O-CB 3.41Å; R555-F559 PolarHBondContact O-N 3.47Å; R555-L566 HydrophobicContact CB-CD2 4.48Å; R555-E570 IonicContact NH2-OE2 3.6Å; R555-W577 HydrophobicContact CG-CZ2 3.83Å |
| 556 | L | 83.1 | Confident | 81.2 | Confident | 7 Ų | 7 | 39.1 Ų | 39.1 | 4% | 0.037 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -54.6 | -51.1 | 173.1 | -179.9 | 61.1 | 0 | 0 | 0 | 109.9 | I472 V552 N558 F559 V560 F580 H585 F589 | I472-L556 HydrophobicContact CD1-CD2 3.73Å; I472-L556 HydrophobicContact CG1-CD2 4.32Å; I472-L556 HydrophobicContact CG2-CD2 4.41Å; V552-L556 VanDerWaalsContact O-CB 3.26Å; V552-L556 WeakPolarHBondContact O-CB 3.4Å; V552-L556 PolarHBondContact O-N 3.27Å; L556-N558 VanDerWaalsContact C-N 3.34Å; L556-N558 PolarHBondContact O-N 3.21Å; L556-F559 PolarHBondContact O-N 3.42Å; L556-V560 HydrophobicContact CD1-CG2 4.13Å; L556-V560 HydrophobicContact CG-CG2 4.28Å; L556-V560 WeakPolarHBondContact O-CB 3.47Å; L556-V560 WeakPolarHBondContact O-CG2 3.32Å; L556-V560 PolarHBondContact O-N 2.98Å; L556-F580 VanDerWaalsContact CD1-O 3.28Å; L556-F580 WeakPolarHBondContact CD1-O 3.29Å; L556-H585 HydrophobicContact CD1-CB 4.2Å; L556-H585 HydrophobicContact CD2-CB 4.42Å; L556-F589 HydrophobicContact CD2-CD2 3.94Å; L556-F589 HydrophobicContact CD2-CE2 4.48Å; L556-F589 HydrophobicContact CD2-CG 4.49Å; L556-F589 HydrophobicContact CG-CD2 4.32Å; L556-F589 HydrophobicContact CG-CG 4.48Å |
| 557 | S | 82.6 | Confident | 79.7 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.6 | -38.9 | 178.3 | -175.2 | 0 | 0 | 0 | 0 | 113.8 | S513 I553 Q554 R555 V560 V561 F589 | S513-S557 WeakPolarHBondContact CB-OG 3.34Å; S513-S557 PolarHBondContact OG-OG 3.42Å; I553-S557 WeakPolarHBondContact O-CB 3.23Å; I553-S557 PolarHBondContact O-N 3.45Å; Q554-S557 PolarHBondContact O-N 2.81Å; R555-S557 VanDerWaalsContact C-N 3.32Å; R555-S557 PolarHBondContact O-N 3.33Å; S557-V560 WeakPolarHBondContact O-CB 3.4Å; S557-V561 WeakPolarHBondContact O-CB 3.33Å; S557-V561 WeakPolarHBondContact O-CG2 3.47Å; S557-V561 PolarHBondContact O-N 2.76Å; S557-F589 WeakPolarHBondContact OG-CE1 3.29Å |
| 558 | N | 80.4 | Confident | 78.2 | Confident | 36 Ų | 36 | 46.1 Ų | 46.1 | 19% | 0.193 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -70.7 | -38.8 | 178.4 | -76.9 | -58.3 | 0 | 0 | 0 | 112.1 | R405 Q554 R555 L556 V560 V561 C562 | R405-N558 PolarHBondContact NH2-OD1 3.35Å; Q554-N558 PolarHBondContact O-N 3Å; Q554-N558 PolarHBondContact O-ND2 3.42Å; R555-N558 PolarHBondContact O-N 3.25Å; L556-N558 VanDerWaalsContact C-N 3.34Å; L556-N558 PolarHBondContact O-N 3.21Å; N558-V560 VanDerWaalsContact C-N 3.34Å; N558-V561 PolarHBondContact O-N 2.98Å; N558-C562 WeakPolarHBondContact O-CB 3.32Å; N558-C562 PolarHBondContact O-N 2.9Å |
| 559 | F | 77.5 | Confident | 77.2 | Confident | 45 Ų | 45 | 54.9 Ų | 54.9 | 20% | 0.197 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.3 | -46.5 | 174.4 | 175.1 | -103.3 | 0 | 0 | 0 | 110.9 | R555 L556 V561 G563 R564 | R555-F559 WeakPolarHBondContact O-CB 3.41Å; R555-F559 PolarHBondContact O-N 3.47Å; L556-F559 PolarHBondContact O-N 3.42Å; F559-V561 PolarHBondContact O-N 2.87Å; F559-G563 VanDerWaalsContact O-CA 3.29Å; F559-G563 WeakPolarHBondContact O-CA 3.24Å; F559-G563 PolarHBondContact O-N 3.06Å; F559-R564 VanDerWaalsContact CD2-O 3.31Å; F559-R564 WeakPolarHBondContact CD2-O 3.49Å |
| 560 | V | 73 | Confident | 76.6 | Confident | 12 Ų | 12 | 56.8 Ų | 56.8 | 7% | 0.073 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -54.9 | -49.2 | 175.1 | 150.6 | 0 | 0 | 0 | 0 | 112 | L556 S557 N558 F589 V590 F595 | L556-V560 HydrophobicContact CD1-CG2 4.13Å; L556-V560 HydrophobicContact CG-CG2 4.28Å; L556-V560 WeakPolarHBondContact O-CB 3.47Å; L556-V560 WeakPolarHBondContact O-CG2 3.32Å; L556-V560 PolarHBondContact O-N 2.98Å; S557-V560 WeakPolarHBondContact O-CB 3.4Å; N558-V560 VanDerWaalsContact C-N 3.34Å; V560-F589 HydrophobicContact CB-CD1 4.24Å; V560-F589 HydrophobicContact CG1-CB 4.3Å; V560-F589 HydrophobicContact CG1-CD1 3.63Å; V560-F589 HydrophobicContact CG1-CE1 4.49Å; V560-F589 HydrophobicContact CG1-CG 4.41Å; V560-F589 HydrophobicContact CG2-CB 3.81Å; V560-F589 HydrophobicContact CG2-CD1 4.11Å; V560-F589 HydrophobicContact CG2-CG 4.21Å; V560-V590 HydrophobicContact CB-CG2 3.38Å; V560-V590 HydrophobicContact CG1-CB 3.85Å; V560-V590 HydrophobicContact CG1-CG1 4.29Å; V560-V590 HydrophobicContact CG1-CG2 3.06Å; V560-V590 HydrophobicContact CG2-CG2 3.5Å; V560-V590 VanDerWaalsContact CG2-CG2 3.5Å; V560-F595 HydrophobicContact CG1-CE2 4.43Å |
| 561 | V | 74 | Confident | 76 | Confident | 7 Ų | 7 | 60 Ų | 60 | 4% | 0.042 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -76.7 | -47.5 | -175 | 168.3 | 0 | 0 | 0 | 0 | 112.4 | W509 L510 S557 N558 F559 | W509-V561 HydrophobicContact CB-CG1 4.49Å; W509-V561 HydrophobicContact CB-CG2 4.04Å; L510-V561 HydrophobicContact CB-CG1 3.5Å; L510-V561 VanDerWaalsContact CB-CG1 3.5Å; L510-V561 HydrophobicContact CD1-CG1 3.7Å; L510-V561 HydrophobicContact CG-CG1 4.21Å; S557-V561 WeakPolarHBondContact O-CB 3.33Å; S557-V561 WeakPolarHBondContact O-CG2 3.47Å; S557-V561 PolarHBondContact O-N 2.76Å; N558-V561 PolarHBondContact O-N 2.98Å; F559-V561 PolarHBondContact O-N 2.87Å |
| 562 | C | 68.7 | Low | 75.7 | Confident | 43 Ų | 43 | 59.8 Ų | 59.8 | 29% | 0.291 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -95.3 | -14.7 | -168.9 | -65.1 | 0 | 0 | 0 | 0 | 113.5 | N558 R564 | N558-C562 WeakPolarHBondContact O-CB 3.32Å; N558-C562 PolarHBondContact O-N 2.9Å; C562-R564 HydrophobicContact CB-CG 4.08Å; C562-R564 PolarHBondContact O-N 3.38Å |
| 563 | G | 64.3 | Low | 75.5 | Confident | 63 Ų | 63 | 59.8 Ų | 59.8 | 65% | 0.649 | 31% | 0.308 | S | S | * | . | trans | 62.6 | 6.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | F559 | F559-G563 VanDerWaalsContact O-CA 3.29Å; F559-G563 WeakPolarHBondContact O-CA 3.24Å; F559-G563 PolarHBondContact O-N 3.06Å | ||
| 564 | R | 64.8 | Low | 75.2 | Confident | 157 Ų | 157 | 61 Ų | 61 | 59% | 0.592 | 32% | 0.315 | S | S | * | . | P | Polyproline II helix | trans | -78.4 | 141 | -177.5 | -62.8 | -176 | -161.8 | 173.1 | 10.8 | 110.1 | N401 F559 C562 | N401-R564 PolarHBondContact OD1-NH2 2.93Å; F559-R564 VanDerWaalsContact CD2-O 3.31Å; F559-R564 WeakPolarHBondContact CD2-O 3.49Å; C562-R564 HydrophobicContact CB-CG 4.08Å; C562-R564 PolarHBondContact O-N 3.38Å |
| 565 | K | 60.7 | Low | 75.1 | Confident | 200 Ų | 200 | 63 Ų | 63 | 87% | 0.87 | 33% | 0.332 | S | S | * | . | P | Polyproline II helix | trans | -54.7 | 144.6 | 172 | -70.7 | -174.2 | 177.1 | -176.8 | 0 | 110.5 | ||
| 566 | L | 60.6 | Low | 75.1 | Confident | 38 Ų | 38 | 59.2 Ų | 59.2 | 20% | 0.199 | 32% | 0.318 | C | S | . | . | P | Polyproline II helix | trans | -55.8 | 139.4 | 176.4 | -68.9 | 153.3 | 0 | 0 | 0 | 109.6 | R555 W577 S581 | R555-L566 HydrophobicContact CB-CD2 4.48Å; L566-W577 HydrophobicContact CB-CE3 4.23Å; L566-W577 HydrophobicContact CD1-CB 3.52Å; L566-W577 HydrophobicContact CD2-CB 3.82Å; L566-W577 HydrophobicContact CD2-CD2 4.06Å; L566-W577 HydrophobicContact CD2-CE3 4.05Å; L566-W577 HydrophobicContact CD2-CG 4.02Å; L566-W577 HydrophobicContact CG-CB 4.26Å; L566-S581 WeakPolarHBondContact CD1-OG 3.46Å |
| 567 | S | 63.2 | Low | 75.1 | Confident | 49 Ų | 49 | 59.1 Ų | 59.1 | 34% | 0.343 | 32% | 0.317 | S | S | . | . | P | Polyproline II helix | trans | -83.9 | 133.9 | -178.8 | 174.8 | 0 | 0 | 0 | 0 | 110.8 | K569 W577 | S567-K569 PolarHBondContact O-N 3.13Å; S567-K569 WeakPolarHBondContact OG-CG 3.47Å; S567-W577 WeakPolarHBondContact O-CZ3 3.34Å |
| 568 | D | 63.4 | Low | 75 | Confident | 126 Ų | 126 | 65.1 Ų | 65.1 | 67% | 0.674 | 35% | 0.345 | S | S | * | . | G | 310 helix | trans | -75.5 | 11.3 | -179.4 | -54.1 | -32.7 | 0 | 0 | 0 | 114.6 | E570 | D568-E570 PolarHBondContact O-N 3.42Š|
| 569 | K | 74.4 | Confident | 75.1 | Confident | 184 Ų | 184 | 70 Ų | 70 | 80% | 0.8 | 36% | 0.361 | S | S | * | . | G | 310 helix | trans | -62 | -26.3 | -178.9 | -75.7 | -177.2 | -176.9 | -169.3 | 0 | 113.2 | S567 | S567-K569 PolarHBondContact O-N 3.13Å; S567-K569 WeakPolarHBondContact OG-CG 3.47Å |
| 570 | E | 80 | Confident | 75.1 | Confident | 41 Ų | 41 | 68 Ų | 68 | 19% | 0.192 | 35% | 0.352 | C | S | . | . | G | 310 helix | trans | -125.1 | 69.8 | 177.6 | -56.5 | 177.4 | 114.5 | 0 | 0 | 108.6 | K551 R555 D568 F572 M573 W577 | K551-E570 IonicContact NZ-OE1 2.87Å; K551-E570 PolarHBondContact NZ-OE1 3.23Å; R555-E570 IonicContact NH2-OE2 3.6Å; D568-E570 PolarHBondContact O-N 3.42Å; E570-F572 HydrophobicContact CB-CD1 4.28Å; E570-F572 HydrophobicContact CB-CE1 3.79Å; E570-F572 HydrophobicContact CB-CZ 4.28Å; E570-F572 HydrophobicContact CG-CE1 4.35Å; E570-F572 PolarHBondContact O-N 3.17Å; E570-M573 HydrophobicContact CB-CB 4.46Å; E570-M573 HydrophobicContact CB-CG 4.25Å; E570-M573 PolarHBondContact O-N 2.91Å; E570-W577 HydrophobicContact CB-CH2 3.88Å |
| 571 | A | 81.4 | Confident | 75.1 | Confident | 70 Ų | 70 | 69 Ų | 69 | 58% | 0.579 | 36% | 0.36 | S | S | * | . | G | 310 helix | trans | -50.7 | -34.1 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | M573 V574 | A571-M573 PolarHBondContact O-N 3.26Å; A571-V574 WeakPolarHBondContact O-CB 3.46Å; A571-V574 WeakPolarHBondContact O-CG2 3.12Å; A571-V574 PolarHBondContact O-N 3.45Å |
| 572 | F | 86 | Confident | 75 | Confident | 49 Ų | 49 | 71 Ų | 71 | 22% | 0.215 | 37% | 0.37 | C | S | . | . | G | 310 helix | trans | -63.9 | -22.6 | 177.8 | 70.8 | -89.9 | 0 | 0 | 0 | 114.4 | V446 D447 L548 E570 | V446-F572 HydrophobicContact CG2-CD2 3.92Å; V446-F572 HydrophobicContact CG2-CE2 4.15Å; D447-F572 HydrophobicContact CB-CD2 3.98Å; D447-F572 HydrophobicContact CB-CE2 4.09Å; D447-F572 HydrophobicContact CB-CG 4.25Å; D447-F572 HydrophobicContact CB-CZ 4.49Å; L548-F572 HydrophobicContact CD2-CE2 4.47Å; E570-F572 HydrophobicContact CB-CD1 4.28Å; E570-F572 HydrophobicContact CB-CE1 3.79Å; E570-F572 HydrophobicContact CB-CZ 4.28Å; E570-F572 HydrophobicContact CG-CE1 4.35Å; E570-F572 PolarHBondContact O-N 3.17Å |
| 573 | M | 86 | Confident | 74.8 | Confident | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 38% | 0.375 | C | S | . | . | G | 310 helix | trans | -89.5 | -16.1 | 178.1 | -67.3 | -67.7 | -65.7 | 0 | 0 | 113.3 | V446 L548 K551 V552 E570 A571 P575 I576 W577 | V446-M573 HydrophobicContact CG2-SD 3.67Å; L548-M573 HydrophobicContact CD2-CE 4.3Å; L548-M573 HydrophobicContact CD2-SD 3.74Å; K551-M573 HydrophobicContact CB-CE 4.39Å; V552-M573 HydrophobicContact CG2-CE 3.96Å; E570-M573 HydrophobicContact CB-CB 4.46Å; E570-M573 HydrophobicContact CB-CG 4.25Å; E570-M573 PolarHBondContact O-N 2.91Å; A571-M573 PolarHBondContact O-N 3.26Å; M573-P575 VanDerWaalsContact C-CD 3.49Å; M573-I576 WeakPolarHBondContact O-CB 3.48Å; M573-I576 PolarHBondContact O-N 3.4Å; M573-W577 HydrophobicContact CB-CD2 3.8Å; M573-W577 HydrophobicContact CB-CE3 4.08Å; M573-W577 HydrophobicContact CB-CH2 3.71Å; M573-W577 HydrophobicContact CB-CZ2 3.36Å; M573-W577 HydrophobicContact CB-CZ3 4.03Å; M573-W577 HydrophobicContact CG-CH2 4.4Å; M573-W577 HydrophobicContact CG-CZ2 3.88Å; M573-W577 PolarHBondContact O-N 2.92Å |
| 574 | V | 83.4 | Confident | 75.1 | Confident | 26 Ų | 26 | 79.7 Ų | 79.7 | 16% | 0.158 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -53.8 | -46.3 | -174.5 | 175.5 | 0 | 0 | 0 | 0 | 112.2 | A571 I576 W577 E578 | A571-V574 WeakPolarHBondContact O-CB 3.46Å; A571-V574 WeakPolarHBondContact O-CG2 3.12Å; A571-V574 PolarHBondContact O-N 3.45Å; V574-I576 VanDerWaalsContact C-N 3.26Å; V574-I576 PolarHBondContact O-N 2.83Å; V574-W577 HydrophobicContact CG2-CE3 4.16Å; V574-W577 HydrophobicContact CG2-CZ3 4.21Å; V574-W577 PolarHBondContact O-N 3.47Å; V574-W577 VanDerWaalsContact O-N 3.09Å; V574-E578 HydrophobicContact CG1-CG 4.22Å; V574-E578 WeakPolarHBondContact O-CG 3.42Å; V574-E578 PolarHBondContact O-N 2.95Å |
| 575 | P | 84 | Confident | 75.2 | Confident | 84 Ų | 84 | 73.2 Ų | 73.2 | 55% | 0.545 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -60.9 | -34.9 | 178.7 | -23.3 | 34.4 | 0 | 0 | 0 | 113.3 | M573 R579 | M573-P575 VanDerWaalsContact C-CD 3.49Å; P575-R579 PolarHBondContact O-N 3.36Å |
| 576 | I | 85.3 | Confident | 75.3 | Confident | 6 Ų | 6 | 68.1 Ų | 68.1 | 3% | 0.031 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -70.7 | -44 | 176.8 | -54.9 | -62.8 | 0 | 0 | 0 | 109.8 | V446 L464 I465 V552 M573 V574 R579 F580 | V446-I576 HydrophobicContact CG1-CD1 4.47Å; L464-I576 HydrophobicContact CD2-CD1 4.45Å; L464-I576 HydrophobicContact CD2-CG1 4.19Å; L464-I576 HydrophobicContact CD2-CG2 4.12Å; L464-I576 HydrophobicContact CG-CG2 4.46Å; I465-I576 HydrophobicContact CD1-CD1 4.12Å; I465-I576 HydrophobicContact CG1-CD1 4.07Å; V552-I576 HydrophobicContact CG2-CG2 3.88Å; M573-I576 WeakPolarHBondContact O-CB 3.48Å; M573-I576 PolarHBondContact O-N 3.4Å; V574-I576 VanDerWaalsContact C-N 3.26Å; V574-I576 PolarHBondContact O-N 2.83Å; I576-R579 WeakPolarHBondContact O-CB 3.32Å; I576-R579 PolarHBondContact O-N 2.9Å; I576-F580 HydrophobicContact CG2-CD2 4.15Å; I576-F580 HydrophobicContact CG2-CE2 3.96Å; I576-F580 WeakPolarHBondContact O-CD2 3.03Å; I576-F580 PolarHBondContact O-N 3.24Å |
| 577 | W | 83 | Confident | 75.2 | Confident | 5 Ų | 5 | 69.4 Ų | 69.4 | 2% | 0.019 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -67.1 | -38.4 | -179.8 | -62.5 | -29 | 0 | 0 | 0 | 113.1 | R555 L566 S567 E570 M573 V574 R579 F580 S581 | R555-W577 HydrophobicContact CG-CZ2 3.83Å; L566-W577 HydrophobicContact CB-CE3 4.23Å; L566-W577 HydrophobicContact CD1-CB 3.52Å; L566-W577 HydrophobicContact CD2-CB 3.82Å; L566-W577 HydrophobicContact CD2-CD2 4.06Å; L566-W577 HydrophobicContact CD2-CE3 4.05Å; L566-W577 HydrophobicContact CD2-CG 4.02Å; L566-W577 HydrophobicContact CG-CB 4.26Å; S567-W577 WeakPolarHBondContact O-CZ3 3.34Å; E570-W577 HydrophobicContact CB-CH2 3.88Å; M573-W577 HydrophobicContact CB-CD2 3.8Å; M573-W577 HydrophobicContact CB-CE3 4.08Å; M573-W577 HydrophobicContact CB-CH2 3.71Å; M573-W577 HydrophobicContact CB-CZ2 3.36Å; M573-W577 HydrophobicContact CB-CZ3 4.03Å; M573-W577 HydrophobicContact CG-CH2 4.4Å; M573-W577 HydrophobicContact CG-CZ2 3.88Å; M573-W577 PolarHBondContact O-N 2.92Å; V574-W577 HydrophobicContact CG2-CE3 4.16Å; V574-W577 HydrophobicContact CG2-CZ3 4.21Å; V574-W577 PolarHBondContact O-N 3.47Å; V574-W577 VanDerWaalsContact O-N 3.09Å; W577-R579 PolarHBondContact O-N 2.83Å; W577-F580 CarbonylContact O-C 3.47Å; W577-F580 PolarHBondContact O-N 3.42Å; W577-F580 VanDerWaalsContact O-N 3.11Å; W577-S581 WeakPolarHBondContact O-CB 3.25Å; W577-S581 PolarHBondContact O-N 3.35Å; W577-S581 PolarHBondContact O-OG 2.88Å |
| 578 | E | 81.1 | Confident | 75 | Confident | 127 Ų | 127 | 68.4 Ų | 68.4 | 59% | 0.593 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -58.5 | -38.7 | 174.7 | -74.2 | 178.5 | 163.4 | 0 | 0 | 111.5 | V574 F580 S581 | V574-E578 HydrophobicContact CG1-CG 4.22Å; V574-E578 WeakPolarHBondContact O-CG 3.42Å; V574-E578 PolarHBondContact O-N 2.95Å; E578-F580 VanDerWaalsContact C-N 3.3Å; E578-F580 PolarHBondContact O-N 3.34Å; E578-S581 PolarHBondContact O-N 3.47Å; E578-S581 VanDerWaalsContact O-N 3.15Å |
| 579 | R | 81.3 | Confident | 74.9 | Confident | 138 Ų | 138 | 62.5 Ų | 62.5 | 52% | 0.521 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -60.6 | -36.9 | 175.3 | 178.4 | 60.3 | 179.3 | 166.5 | 2.5 | 113.2 | I465 P575 I576 W577 | I465-R579 HydrophobicContact CD1-CG 4.27Å; I465-R579 HydrophobicContact CG2-CG 4.45Å; P575-R579 PolarHBondContact O-N 3.36Å; I576-R579 WeakPolarHBondContact O-CB 3.32Å; I576-R579 PolarHBondContact O-N 2.9Å; W577-R579 PolarHBondContact O-N 2.83Å |
| 580 | F | 78.4 | Confident | 74 | Confident | 4 Ų | 4 | 54.5 Ų | 54.5 | 2% | 0.018 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -90.7 | -2.3 | 178.3 | -70.1 | -74.5 | 0 | 0 | 0 | 113.6 | I465 A468 E469 I472 V552 L556 I576 W577 E578 D582 H585 | I465-F580 HydrophobicContact CB-CZ 4.48Å; I465-F580 HydrophobicContact CG1-CE2 4.29Å; I465-F580 HydrophobicContact CG2-CZ 4.14Å; A468-F580 HydrophobicContact CB-CE1 4.39Å; A468-F580 HydrophobicContact CB-CE2 4.03Å; A468-F580 HydrophobicContact CB-CZ 3.64Å; E469-F580 HydrophobicContact CB-CE1 4.04Å; E469-F580 HydrophobicContact CB-CZ 4.35Å; I472-F580 HydrophobicContact CD1-CD1 3.84Å; I472-F580 HydrophobicContact CD1-CE1 3.86Å; V552-F580 HydrophobicContact CG1-CD2 3.55Å; V552-F580 HydrophobicContact CG1-CE2 3.79Å; V552-F580 HydrophobicContact CG1-CG 3.99Å; V552-F580 HydrophobicContact CG1-CZ 4.39Å; L556-F580 VanDerWaalsContact CD1-O 3.28Å; L556-F580 WeakPolarHBondContact CD1-O 3.29Å; I576-F580 HydrophobicContact CG2-CD2 4.15Å; I576-F580 HydrophobicContact CG2-CE2 3.96Å; I576-F580 WeakPolarHBondContact O-CD2 3.03Å; I576-F580 PolarHBondContact O-N 3.24Å; W577-F580 CarbonylContact O-C 3.47Å; W577-F580 PolarHBondContact O-N 3.42Å; W577-F580 VanDerWaalsContact O-N 3.11Å; E578-F580 VanDerWaalsContact C-N 3.3Å; E578-F580 PolarHBondContact O-N 3.34Å; F580-D582 VanDerWaalsContact C-N 3.26Å; F580-D582 PolarHBondContact O-N 2.91Å; F580-H585 AromaticContact CD1-CD2 3.76Å; F580-H585 AromaticContact CD1-CE1 3.85Å; F580-H585 AromaticContact CD1-NE2 3.54Å; F580-H585 AromaticContact CE1-NE2 3.8Å; F580-H585 VanDerWaalsContact O-CB 3.23Å; F580-H585 WeakPolarHBondContact O-CB 3.46Å |
| 581 | S | 72.1 | Confident | 72.4 | Confident | 33 Ų | 33 | 58 Ų | 58 | 23% | 0.231 | 28% | 0.283 | C | S | . | . | trans | -88.6 | 8.9 | 179.4 | -60.5 | 0 | 0 | 0 | 0 | 113.1 | L566 W577 E578 | L566-S581 WeakPolarHBondContact CD1-OG 3.46Å; W577-S581 WeakPolarHBondContact O-CB 3.25Å; W577-S581 PolarHBondContact O-N 3.35Å; W577-S581 PolarHBondContact O-OG 2.88Å; E578-S581 PolarHBondContact O-N 3.47Å; E578-S581 VanDerWaalsContact O-N 3.15Å | ||
| 582 | D | 72.2 | Confident | 70.7 | Confident | 49 Ų | 49 | 58.2 Ų | 58.2 | 26% | 0.262 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -68.2 | 161.1 | 177 | 75 | 0.3 | 0 | 0 | 0 | 112.2 | F580 R584 H585 R586 | F580-D582 VanDerWaalsContact C-N 3.26Å; F580-D582 PolarHBondContact O-N 2.91Å; D582-R584 PolarHBondContact O-N 2.97Å; D582-R584 VanDerWaalsContact O-N 3.15Å; D582-R584 PolarHBondContact OD1-N 3.15Å; D582-H585 PolarHBondContact O-N 3.07Å; D582-H585 WeakPolarHBondContact OD1-CB 3.35Å; D582-H585 IonicContact OD1-CE1 2.66Å; D582-H585 IonicContact OD1-CG 2.75Å; D582-H585 PolarHBondContact OD1-N 3.09Å; D582-H585 IonicContact OD1-ND1 2.74Å; D582-H585 PolarHBondContact OD1-ND1 3.29Å; D582-H585 IonicContact OD2-ND1 3.08Å; D582-R586 WeakPolarHBondContact O-CB 3.45Å; D582-R586 PolarHBondContact O-N 3.2Å |
| 583 | E | 65 | Low | 69.3 | Low | 83 Ų | 83 | 60.9 Ų | 60.9 | 39% | 0.388 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60.8 | -27.5 | -178.4 | -171.6 | 60.5 | -153.4 | 0 | 0 | 112 | R586 I587 K591 | E583-R586 PolarHBondContact O-N 3.49Å; E583-R586 IonicContact OE1-CZ 2.72Å; E583-R586 IonicContact OE1-NE 2.7Å; E583-R586 PolarHBondContact OE1-NE 3.05Å; E583-R586 VanDerWaalsContact OE1-NE 3.15Å; E583-R586 IonicContact OE1-NH2 3.82Å; E583-R586 PolarHBondContact OE1-NH2 3.01Å; E583-R586 IonicContact OE2-CZ 3.94Å; E583-R586 IonicContact OE2-NE 3.05Å; E583-R586 PolarHBondContact OE2-NE 3.18Å; E583-R586 IonicContact OE2-NH1 3.92Å; E583-R586 IonicContact OE2-NH2 2.84Å; E583-R586 PolarHBondContact OE2-NH2 3.39Å; E583-I587 HydrophobicContact CG-CD1 3.68Å; E583-I587 HydrophobicContact CG-CG1 4.13Å; E583-I587 WeakPolarHBondContact O-CB 3.33Å; E583-I587 WeakPolarHBondContact O-CG1 3.17Å; E583-I587 PolarHBondContact O-N 3.42Å; E583-I587 WeakPolarHBondContact OE1-CG1 3.08Å; E583-K591 IonicContact OE1-NZ 3.94Å |
| 584 | R | 69.9 | Low | 68.6 | Low | 204 Ų | 204 | 61 Ų | 61 | 77% | 0.77 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -66 | -51.7 | -179.3 | -65.5 | 179.8 | 178.2 | -175.9 | 0.4 | 111.2 | D582 R586 I587 A588 | D582-R584 PolarHBondContact O-N 2.97Å; D582-R584 VanDerWaalsContact O-N 3.15Å; D582-R584 PolarHBondContact OD1-N 3.15Å; R584-R586 VanDerWaalsContact C-N 3.31Å; R584-I587 PolarHBondContact O-N 3.16Å; R584-A588 WeakPolarHBondContact O-CB 3.33Å; R584-A588 PolarHBondContact O-N 2.73Å |
| 585 | H | 68 | Low | 68.3 | Low | 21 Ų | 21 | 59.8 Ų | 59.8 | 10% | 0.097 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -67.6 | -35.4 | 176.6 | -67.9 | 96.3 | 0 | 0 | 0 | 111.1 | L556 F580 D582 A588 F589 | L556-H585 HydrophobicContact CD1-CB 4.2Å; L556-H585 HydrophobicContact CD2-CB 4.42Å; F580-H585 AromaticContact CD1-CD2 3.76Å; F580-H585 AromaticContact CD1-CE1 3.85Å; F580-H585 AromaticContact CD1-NE2 3.54Å; F580-H585 AromaticContact CE1-NE2 3.8Å; F580-H585 VanDerWaalsContact O-CB 3.23Å; F580-H585 WeakPolarHBondContact O-CB 3.46Å; D582-H585 PolarHBondContact O-N 3.07Å; D582-H585 WeakPolarHBondContact OD1-CB 3.35Å; D582-H585 IonicContact OD1-CE1 2.66Å; D582-H585 IonicContact OD1-CG 2.75Å; D582-H585 PolarHBondContact OD1-N 3.09Å; D582-H585 IonicContact OD1-ND1 2.74Å; D582-H585 PolarHBondContact OD1-ND1 3.29Å; D582-H585 IonicContact OD2-ND1 3.08Å; H585-A588 PolarHBondContact O-N 2.79Å; H585-F589 WeakPolarHBondContact O-CB 3.36Å; H585-F589 PolarHBondContact O-N 3Å |
| 586 | R | 63.6 | Low | 67.9 | Low | 93 Ų | 93 | 57.9 Ų | 57.9 | 35% | 0.351 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -60.6 | -45 | 172.8 | -164.8 | 179.5 | 79.5 | 163.3 | 0.4 | 112 | D582 E583 R584 V590 | D582-R586 WeakPolarHBondContact O-CB 3.45Å; D582-R586 PolarHBondContact O-N 3.2Å; E583-R586 PolarHBondContact O-N 3.49Å; E583-R586 IonicContact OE1-CZ 2.72Å; E583-R586 IonicContact OE1-NE 2.7Å; E583-R586 PolarHBondContact OE1-NE 3.05Å; E583-R586 VanDerWaalsContact OE1-NE 3.15Å; E583-R586 IonicContact OE1-NH2 3.82Å; E583-R586 PolarHBondContact OE1-NH2 3.01Å; E583-R586 IonicContact OE2-CZ 3.94Å; E583-R586 IonicContact OE2-NE 3.05Å; E583-R586 PolarHBondContact OE2-NE 3.18Å; E583-R586 IonicContact OE2-NH1 3.92Å; E583-R586 IonicContact OE2-NH2 2.84Å; E583-R586 PolarHBondContact OE2-NH2 3.39Å; R584-R586 VanDerWaalsContact C-N 3.31Å; R586-V590 HydrophobicContact CG-CG2 3.73Å; R586-V590 WeakPolarHBondContact O-CA 3.47Å; R586-V590 WeakPolarHBondContact O-CB 3.32Å; R586-V590 WeakPolarHBondContact O-CG2 3.43Å; R586-V590 PolarHBondContact O-N 3.39Å |
| 587 | I | 58.3 | Low | 67.4 | Low | 66 Ų | 66 | 62.2 Ų | 62.2 | 34% | 0.338 | 28% | 0.281 | S | S | . | . | I | π-helix | trans | -67.9 | -43.6 | 177.7 | -71.2 | 170.2 | 0 | 0 | 0 | 111 | E583 R584 F589 K591 | E583-I587 HydrophobicContact CG-CD1 3.68Å; E583-I587 HydrophobicContact CG-CG1 4.13Å; E583-I587 WeakPolarHBondContact O-CB 3.33Å; E583-I587 WeakPolarHBondContact O-CG1 3.17Å; E583-I587 PolarHBondContact O-N 3.42Å; E583-I587 WeakPolarHBondContact OE1-CG1 3.08Å; R584-I587 PolarHBondContact O-N 3.16Å; I587-F589 VanDerWaalsContact C-N 3.29Å; I587-F589 PolarHBondContact O-N 3.49Å; I587-K591 HydrophobicContact CB-CB 4.41Å; I587-K591 HydrophobicContact CG1-CB 4.3Å; I587-K591 HydrophobicContact CG1-CD 4.32Å; I587-K591 HydrophobicContact CG2-CB 4.45Å; I587-K591 PolarHBondContact O-N 3.46Å |
| 588 | A | 59 | Low | 67.3 | Low | 27 Ų | 27 | 62 Ų | 62 | 22% | 0.223 | 28% | 0.28 | C | S | . | . | I | π-helix | trans | -59.9 | -40.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | V476 R584 H585 | V476-A588 HydrophobicContact CG2-CB 4.43Å; R584-A588 WeakPolarHBondContact O-CB 3.33Å; R584-A588 PolarHBondContact O-N 2.73Å; H585-A588 PolarHBondContact O-N 2.79Å |
| 589 | F | 61.3 | Low | 67 | Low | 3 Ų | 3 | 56.1 Ų | 56.1 | 1% | 0.013 | 25% | 0.253 | C | S | . | . | I | π-helix | trans | -92.2 | -36.7 | -176.6 | -144.3 | -79 | 0 | 0 | 0 | 114.2 | V517 L556 S557 V560 H585 I587 F595 | V517-F589 HydrophobicContact CG1-CZ 4.41Å; V517-F589 HydrophobicContact CG2-CE1 3.89Å; V517-F589 HydrophobicContact CG2-CZ 3.6Å; L556-F589 HydrophobicContact CD2-CD2 3.94Å; L556-F589 HydrophobicContact CD2-CE2 4.48Å; L556-F589 HydrophobicContact CD2-CG 4.49Å; L556-F589 HydrophobicContact CG-CD2 4.32Å; L556-F589 HydrophobicContact CG-CG 4.48Å; S557-F589 WeakPolarHBondContact OG-CE1 3.29Å; V560-F589 HydrophobicContact CB-CD1 4.24Å; V560-F589 HydrophobicContact CG1-CB 4.3Å; V560-F589 HydrophobicContact CG1-CD1 3.63Å; V560-F589 HydrophobicContact CG1-CE1 4.49Å; V560-F589 HydrophobicContact CG1-CG 4.41Å; V560-F589 HydrophobicContact CG2-CB 3.81Å; V560-F589 HydrophobicContact CG2-CD1 4.11Å; V560-F589 HydrophobicContact CG2-CG 4.21Å; H585-F589 WeakPolarHBondContact O-CB 3.36Å; H585-F589 PolarHBondContact O-N 3Å; I587-F589 VanDerWaalsContact C-N 3.29Å; I587-F589 PolarHBondContact O-N 3.49Å; F589-F595 AromaticContact CD1-CE2 3.77Å; F589-F595 HydrophobicContact CD1-CE2 3.77Å; F589-F595 HydrophobicContact CD1-CZ 4.34Å; F589-F595 AromaticContact CE1-CE2 3.65Å; F589-F595 HydrophobicContact CE1-CE2 3.65Å; F589-F595 AromaticContact CE1-CZ 3.75Å; F589-F595 HydrophobicContact CE1-CZ 3.75Å; F589-F595 WeakPolarHBondContact O-CD2 3.49Å |
| 590 | V | 55.4 | Low | 66.2 | Low | 15 Ų | 15 | 53.3 Ų | 53.3 | 9% | 0.091 | 25% | 0.253 | C | S | . | . | I | π-helix | trans | -98.6 | -40.1 | -174.7 | -166.8 | 0 | 0 | 0 | 0 | 113.5 | W509 V560 R586 | W509-V590 HydrophobicContact CE3-CG1 4.24Å; W509-V590 HydrophobicContact CH2-CG1 4.19Å; W509-V590 HydrophobicContact CZ3-CG1 3.98Å; V560-V590 HydrophobicContact CB-CG2 3.38Å; V560-V590 HydrophobicContact CG1-CB 3.85Å; V560-V590 HydrophobicContact CG1-CG1 4.29Å; V560-V590 HydrophobicContact CG1-CG2 3.06Å; V560-V590 HydrophobicContact CG2-CG2 3.5Å; V560-V590 VanDerWaalsContact CG2-CG2 3.5Å; R586-V590 HydrophobicContact CG-CG2 3.73Å; R586-V590 WeakPolarHBondContact O-CA 3.47Å; R586-V590 WeakPolarHBondContact O-CB 3.32Å; R586-V590 WeakPolarHBondContact O-CG2 3.43Å; R586-V590 PolarHBondContact O-N 3.39Å |
| 591 | K | 46.6 | Very low | 65 | Low | 114 Ų | 114 | 55.2 Ų | 55.2 | 50% | 0.496 | 27% | 0.27 | S | S | . | . | I | π-helix | trans | -114.2 | -15.8 | -140.3 | -132.6 | 173.6 | -177.4 | -179.6 | 0 | 116.9 | E583 I587 | E583-K591 IonicContact OE1-NZ 3.94Å; I587-K591 HydrophobicContact CB-CB 4.41Å; I587-K591 HydrophobicContact CG1-CB 4.3Å; I587-K591 HydrophobicContact CG1-CD 4.32Å; I587-K591 HydrophobicContact CG2-CB 4.45Å; I587-K591 PolarHBondContact O-N 3.46Å |
| 592 | V | 45.7 | Very low | 63.5 | Low | 75 Ų | 75 | 56.6 Ų | 56.6 | 46% | 0.455 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -150.2 | -26.5 | 174.9 | -179.3 | 0 | 0 | 0 | 0 | 115.2 | ||
| 593 | Y | 54.8 | Low | 61.6 | Low | 106 Ų | 106 | 59.5 Ų | 59.5 | 42% | 0.416 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -116.1 | -37.4 | -161.2 | -67.9 | -85.4 | 0 | 0 | 0 | 117.8 | R597 | Y593-R597 WeakPolarHBondContact O-CB 3.3Å; Y593-R597 WeakPolarHBondContact O-CD 3.48Å; Y593-R597 WeakPolarHBondContact O-CG 3.37Å |
| 594 | F | 72.4 | Confident | 59.8 | Low | 1 Ų | 1 | 65 Ų | 65 | 0% | 0.004 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -95.5 | -72.3 | -171.8 | -167.2 | -105.9 | 0 | 0 | 0 | 114.2 | I475 L516 F521 D596 R597 I598 | I475-F594 HydrophobicContact CG2-CE2 4.35Å; I475-F594 HydrophobicContact CG2-CZ 4.3Å; I475-F594 VanDerWaalsContact O-CE2 3.29Å; I475-F594 WeakPolarHBondContact O-CE2 3.15Å; L516-F594 HydrophobicContact CB-CE1 4.47Å; L516-F594 HydrophobicContact CD1-CE1 3.96Å; L516-F594 HydrophobicContact CD1-CZ 4.5Å; F521-F594 HydrophobicContact CE2-CE1 4.29Å; F521-F594 AromaticContact CE2-CZ 3.77Å; F521-F594 HydrophobicContact CE2-CZ 3.77Å; F521-F594 HydrophobicContact CZ-CZ 4.18Å; F594-D596 PolarHBondContact O-N 2.76Å; F594-R597 PolarHBondContact O-N 3.4Å; F594-I598 HydrophobicContact CE1-CD1 4.34Å; F594-I598 HydrophobicContact CE2-CD1 3.97Å; F594-I598 HydrophobicContact CZ-CD1 3.64Å; F594-I598 WeakPolarHBondContact O-CB 3.31Å; F594-I598 WeakPolarHBondContact O-CG2 3.45Å; F594-I598 PolarHBondContact O-N 2.79Å |
| 595 | F | 77.4 | Confident | 57.9 | Low | 2 Ų | 2 | 60.4 Ų | 60.4 | 1% | 0.009 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62.7 | -38.9 | -173.3 | -70.5 | -58 | 0 | 0 | 0 | 113.6 | L512 L516 V517 V560 F589 S599 | L512-F595 HydrophobicContact CB-CD1 3.72Å; L512-F595 HydrophobicContact CB-CE1 3.98Å; L512-F595 HydrophobicContact CD1-CB 4.27Å; L512-F595 HydrophobicContact CD1-CD1 4.33Å; L516-F595 HydrophobicContact CB-CE1 4.41Å; L516-F595 HydrophobicContact CD1-CD1 4.04Å; L516-F595 HydrophobicContact CD1-CE1 4.05Å; V517-F595 HydrophobicContact CG2-CE1 4.43Å; V517-F595 HydrophobicContact CG2-CZ 3.98Å; V560-F595 HydrophobicContact CG1-CE2 4.43Å; F589-F595 AromaticContact CD1-CE2 3.77Å; F589-F595 HydrophobicContact CD1-CE2 3.77Å; F589-F595 HydrophobicContact CD1-CZ 4.34Å; F589-F595 AromaticContact CE1-CE2 3.65Å; F589-F595 HydrophobicContact CE1-CE2 3.65Å; F589-F595 AromaticContact CE1-CZ 3.75Å; F589-F595 HydrophobicContact CE1-CZ 3.75Å; F589-F595 WeakPolarHBondContact O-CD2 3.49Å; F595-S599 WeakPolarHBondContact O-CB 3.45Å; F595-S599 PolarHBondContact O-N 2.87Å; F595-S599 PolarHBondContact O-OG 3.37Å |
| 596 | D | 75.1 | Confident | 55.9 | Low | 43 Ų | 43 | 64.2 Ų | 64.2 | 23% | 0.23 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -69.9 | -48.4 | 176 | -73.2 | -40.1 | 0 | 0 | 0 | 111.3 | R494 F594 I598 S599 C600 | R494-D596 IonicContact CZ-OD1 3.96Å; R494-D596 IonicContact NH1-OD1 3.37Å; R494-D596 PolarHBondContact NH1-OD1 3.03Å; R494-D596 IonicContact NH2-OD1 3.68Å; R494-D596 PolarHBondContact NH2-OD1 3.2Å; F594-D596 PolarHBondContact O-N 2.76Å; D596-I598 VanDerWaalsContact C-N 3.32Å; D596-I598 PolarHBondContact O-N 2.92Å; D596-S599 CarbonylContact O-C 3.53Å; D596-S599 PolarHBondContact O-N 3.44Å; D596-S599 VanDerWaalsContact O-N 3.11Å; D596-S599 PolarHBondContact O-OG 3.25Å; D596-C600 WeakPolarHBondContact O-CB 3.33Å; D596-C600 PolarHBondContact O-N 3.12Å; D596-C600 PolarHBondContact O-SG 3.48Å |
| 597 | R | 75.4 | Confident | 54.2 | Low | 98 Ų | 98 | 64.9 Ų | 64.9 | 37% | 0.37 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -65.7 | -33.3 | -179.7 | -63.5 | -170.2 | 171 | -158.9 | -10.6 | 113.6 | N480 R487 Y593 F594 S599 | N480-R597 PolarHBondContact OD1-NH1 3.41Å; R487-R597 PolarHBondContact NH1-O 2.9Å; Y593-R597 WeakPolarHBondContact O-CB 3.3Å; Y593-R597 WeakPolarHBondContact O-CD 3.48Å; Y593-R597 WeakPolarHBondContact O-CG 3.37Å; F594-R597 PolarHBondContact O-N 3.4Å; R597-S599 VanDerWaalsContact C-N 3.27Å |
| 598 | I | 80 | Confident | 52.7 | Low | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -75.7 | -19.8 | 178.3 | -149.2 | 169.5 | 0 | 0 | 0 | 111.7 | C482 R487 F490 L516 F594 D596 | C482-I598 HydrophobicContact CB-CD1 4.03Å; C482-I598 HydrophobicContact CB-CG1 3.89Å; R487-I598 VanDerWaalsContact CA-O 3.26Å; R487-I598 WeakPolarHBondContact CA-O 3.27Å; R487-I598 WeakPolarHBondContact CB-O 3.49Å; F490-I598 HydrophobicContact CD2-CD1 4.25Å; F490-I598 HydrophobicContact CD2-CG1 3.98Å; F490-I598 HydrophobicContact CD2-CG2 4.31Å; F490-I598 HydrophobicContact CE2-CD1 4.07Å; F490-I598 HydrophobicContact CE2-CG1 4.25Å; L516-I598 HydrophobicContact CD1-CD1 4.15Å; L516-I598 HydrophobicContact CD1-CG2 3.76Å; L516-I598 HydrophobicContact CD2-CD1 3.94Å; F594-I598 HydrophobicContact CE1-CD1 4.34Å; F594-I598 HydrophobicContact CE2-CD1 3.97Å; F594-I598 HydrophobicContact CZ-CD1 3.64Å; F594-I598 WeakPolarHBondContact O-CB 3.31Å; F594-I598 WeakPolarHBondContact O-CG2 3.45Å; F594-I598 PolarHBondContact O-N 2.79Å; D596-I598 VanDerWaalsContact C-N 3.32Å; D596-I598 PolarHBondContact O-N 2.92Å |
| 599 | S | 75 | Confident | 51.4 | Low | 4 Ų | 4 | 72.6 Ų | 72.6 | 3% | 0.028 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -106.4 | -3.3 | 178.3 | 63.2 | 0 | 0 | 0 | 0 | 114.7 | K491 R494 F595 D596 R597 | K491-S599 VanDerWaalsContact CB-O 3.31Å; K491-S599 WeakPolarHBondContact CB-O 3.3Å; R494-S599 PolarHBondContact NH1-OG 2.96Å; F595-S599 WeakPolarHBondContact O-CB 3.45Å; F595-S599 PolarHBondContact O-N 2.87Å; F595-S599 PolarHBondContact O-OG 3.37Å; D596-S599 CarbonylContact O-C 3.53Å; D596-S599 PolarHBondContact O-N 3.44Å; D596-S599 VanDerWaalsContact O-N 3.11Å; D596-S599 PolarHBondContact O-OG 3.25Å; R597-S599 VanDerWaalsContact C-N 3.27Å |
| 600 | C | 65.3 | Low | 50.1 | Low | 78 Ų | 78 | 77.5 Ų | 77.5 | 53% | 0.527 | 46% | 0.46 | S | S | . | . | trans | -86.4 | 113.2 | 168.8 | -71.1 | 0 | 0 | 0 | 0 | 110 | D596 G602 | D596-C600 WeakPolarHBondContact O-CB 3.33Å; D596-C600 PolarHBondContact O-N 3.12Å; D596-C600 PolarHBondContact O-SG 3.48Å; C600-G602 PolarHBondContact O-N 3.05Å | ||
| 601 | A | 52.9 | Low | 49.4 | Very low | 44 Ų | 44 | 79.3 Ų | 79.3 | 36% | 0.364 | 47% | 0.473 | S | S | . | . | P | Polyproline II helix | trans | -74.4 | 118.7 | 169 | 0 | 0 | 0 | 0 | 0 | 108.7 | K491 S603 | K491-A601 HydrophobicContact CD-CB 3.93Å; A601-S603 PolarHBondContact O-N 2.74Å |
| 602 | G | 41.1 | Very low | 49.7 | Very low | 62 Ų | 62 | 76.9 Ų | 76.9 | 64% | 0.639 | 47% | 0.467 | S | S | * | . | P | Polyproline II helix | trans | -63.6 | 130 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | C600 E604 | C600-G602 PolarHBondContact O-N 3.05Å; G602-E604 PolarHBondContact O-N 3.42Å |
| 603 | S | 31.4 | Very low | 50.1 | Low | 111 Ų | 111 | 75.4 Ų | 75.4 | 78% | 0.776 | 46% | 0.459 | S | S | * | . | S | Bend | trans | -57.8 | 125.4 | 163.1 | 42.8 | 0 | 0 | 0 | 0 | 110 | A601 | A601-S603 PolarHBondContact O-N 2.74Š|
| 604 | E | 28 | Very low | 50.6 | Low | 199 Ų | 199 | 73.5 Ų | 73.5 | 93% | 0.93 | 46% | 0.458 | S | S | * | . | trans | 35 | 83.9 | 156.3 | -63 | -178.4 | 173.1 | 0 | 0 | 116.7 | G602 | G602-E604 PolarHBondContact O-N 3.42Š| ||
| 605 | S | 28.3 | Very low | 50.1 | Low | 106 Ų | 106 | 76 Ų | 76 | 74% | 0.741 | 47% | 0.471 | S | S | * | . | trans | -137.6 | 103.4 | 147.8 | 40.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 606 | S | 27.7 | Very low | 49.7 | Very low | 102 Ų | 102 | 81.2 Ų | 81.2 | 71% | 0.713 | 49% | 0.494 | S | S | * | . | trans | -0.1 | 122.6 | 148.5 | 52.4 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 607 | T | 26.8 | Very low | 49.7 | Very low | 106 Ų | 106 | 84.8 Ų | 84.8 | 65% | 0.65 | 51% | 0.509 | S | S | * | . | S | Bend | trans | 35.6 | 131.1 | 134.8 | 37.7 | 0 | 0 | 0 | 0 | 119.1 | ||
| 608 | T | 28.2 | Very low | 49.5 | Very low | 127 Ų | 127 | 81.6 Ų | 81.6 | 78% | 0.779 | 51% | 0.507 | S | S | * | . | trans | 88.4 | 86.1 | 172.9 | 79.2 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 609 | C | 31.7 | Very low | 49 | Very low | 128 Ų | 128 | 84.7 Ų | 84.7 | 87% | 0.865 | 52% | 0.523 | S | S | * | . | trans | -106.5 | 98.9 | 159 | -166.4 | 0 | 0 | 0 | 0 | 108.2 | S611 | C609-S611 PolarHBondContact O-N 3.16Š| ||
| 610 | D | 32.6 | Very low | 48.6 | Very low | 107 Ų | 107 | 86.7 Ų | 86.7 | 57% | 0.572 | 53% | 0.533 | S | S | * | . | trans | -64.1 | 92.9 | 179 | -72 | -38 | 0 | 0 | 0 | 111.4 | V612 N648 | D610-V612 HydrophobicContact CB-CG2 4.09Å; D610-V612 PolarHBondContact O-N 2.83Å; D610-N648 PolarHBondContact OD1-ND2 3.29Å | ||
| 611 | S | 41.5 | Very low | 48.7 | Very low | 52 Ų | 52 | 87.4 Ų | 87.4 | 36% | 0.364 | 53% | 0.526 | S | S | . | . | trans | -77.3 | 95.3 | 156.2 | 55.1 | 0 | 0 | 0 | 0 | 108.1 | Q424 C609 T613 | Q424-S611 VanDerWaalsContact OE1-CB 3.28Å; C609-S611 PolarHBondContact O-N 3.16Å; S611-T613 PolarHBondContact O-N 3.09Å; S611-T613 PolarHBondContact O-OG1 3.15Å | ||
| 612 | V | 52.2 | Low | 49.3 | Very low | 63 Ų | 63 | 88.5 Ų | 88.5 | 38% | 0.382 | 52% | 0.523 | S | S | . | . | trans | -77 | 76.6 | 179.2 | -175.2 | 0 | 0 | 0 | 0 | 109.1 | D610 V614 T646 | D610-V612 HydrophobicContact CB-CG2 4.09Å; D610-V612 PolarHBondContact O-N 2.83Å; V612-V614 PolarHBondContact O-N 3.44Å; V612-T646 HydrophobicContact CG1-CG2 3.15Å | ||
| 613 | T | 55.3 | Low | 50.2 | Low | 44 Ų | 44 | 89.9 Ų | 89.9 | 27% | 0.27 | 52% | 0.522 | S | S | . | . | trans | -66.8 | 114.2 | 170.9 | -11.8 | 0 | 0 | 0 | 0 | 107.7 | S611 L615 T646 E647 | S611-T613 PolarHBondContact O-N 3.09Å; S611-T613 PolarHBondContact O-OG1 3.15Å; T613-L615 PolarHBondContact O-N 3.46Å; T613-T646 CarbonylContact O-C 3.54Å; T613-T646 WeakPolarHBondContact O-CA 3.46Å; T613-E647 PolarHBondContact O-N 3.33Å; T613-E647 WeakPolarHBondContact OG1-CG 3.45Å; T613-E647 PolarHBondContact OG1-OE1 3.33Å; T613-E647 PolarHBondContact OG1-OE2 2.93Å | ||
| 614 | V | 63.4 | Low | 51.3 | Low | 66 Ų | 66 | 90.2 Ų | 90.2 | 40% | 0.4 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 103.7 | 171.2 | 179 | 0 | 0 | 0 | 0 | 107.4 | V612 K616 E617 Y644 L645 T646 | V612-V614 PolarHBondContact O-N 3.44Å; V614-K616 VanDerWaalsContact C-N 3.33Å; V614-K616 WeakPolarHBondContact CG1-O 3.37Å; V614-E617 HydrophobicContact CG1-CB 4.15Å; V614-Y644 HydrophobicContact CG1-CD1 4.27Å; V614-Y644 HydrophobicContact CG2-CD1 4.45Å; V614-L645 CarbonylContact C-O 3.58Å; V614-L645 WeakPolarHBondContact CA-O 3.48Å; V614-T646 HydrophobicContact CG2-CG2 4.41Å |
| 615 | L | 63.5 | Low | 52.4 | Low | 55 Ų | 55 | 88.6 Ų | 88.6 | 29% | 0.288 | 51% | 0.507 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | -34.7 | 176.2 | -60.9 | 177.5 | 0 | 0 | 0 | 110.7 | T613 L645 T646 E647 T720 | T613-L615 PolarHBondContact O-N 3.46Å; L615-L645 HydrophobicContact CB-CD2 4.38Å; L615-L645 HydrophobicContact CB-CG 4.34Å; L615-L645 HydrophobicContact CD1-CG 4.49Å; L615-L645 PolarHBondContact N-O 3.44Å; L615-T646 WeakPolarHBondContact CD1-O 2.99Å; L615-E647 HydrophobicContact CD2-CG 4.21Å; L615-E647 HydrophobicContact CG-CG 4.36Å; L615-T720 HydrophobicContact CD1-CG2 3.36Å; L615-T720 WeakPolarHBondContact CD1-OG1 3.43Å |
| 616 | K | 67.6 | Low | 53.3 | Low | 110 Ų | 110 | 87.4 Ų | 87.4 | 48% | 0.478 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.3 | 142.1 | 178.9 | -168.8 | 66.7 | 179.2 | -178.5 | 0 | 111 | V614 L645 L716 | V614-K616 VanDerWaalsContact C-N 3.33Å; V614-K616 WeakPolarHBondContact CG1-O 3.37Å; K616-L645 HydrophobicContact CB-CB 4.18Å; K616-L645 HydrophobicContact CB-CD2 4.45Å; K616-L645 PolarHBondContact N-O 3.28Å; K616-L645 PolarHBondContact O-N 2.89Å; K616-L716 HydrophobicContact CB-CD2 4.24Å |
| 617 | E | 76.3 | Confident | 54 | Low | 118 Ų | 118 | 93.2 Ų | 93.2 | 55% | 0.551 | 50% | 0.502 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 155 | 167.1 | 62.7 | 179.5 | -165.2 | 0 | 0 | 110.4 | V614 C643 Y644 | V614-E617 HydrophobicContact CG1-CB 4.15Å; E617-C643 WeakPolarHBondContact CA-O 3.46Å; E617-Y644 HydrophobicContact CB-CD1 3.85Å; E617-Y644 HydrophobicContact CB-CE1 4.08Å; E617-Y644 WeakPolarHBondContact OE2-CE1 3.24Å |
| 618 | G | 70.2 | Confident | 54.7 | Low | 32 Ų | 32 | 93.1 Ų | 93.1 | 33% | 0.33 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -178.8 | 176 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | C643 | G618-C643 PolarHBondContact N-O 3.03Å; G618-C643 PolarHBondContact O-N 2.88Å |
| 619 | L | 69.9 | Low | 55.4 | Low | 64 Ų | 64 | 92.3 Ų | 92.3 | 34% | 0.335 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 126.7 | 177.1 | -161.6 | 86.8 | 0 | 0 | 0 | 109.9 | Y621 A640 R641 H642 | L619-Y621 HydrophobicContact CD2-CE2 3.99Å; L619-A640 HydrophobicContact CD1-CB 4.43Å; L619-A640 HydrophobicContact CD2-CB 4.39Å; L619-R641 CarbonylContact C-O 3.47Å; L619-R641 WeakPolarHBondContact CA-O 3.15Å; L619-H642 WeakPolarHBondContact CD1-ND1 3.34Å |
| 620 | L | 66.3 | Low | 56.2 | Low | 47 Ų | 47 | 92.8 Ų | 92.8 | 25% | 0.246 | 50% | 0.499 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 155.7 | 171 | -65.2 | -179.5 | 0 | 0 | 0 | 111.1 | A640 R641 C643 F650 | L620-A640 CarbonylContact O-C 3.42Å; L620-R641 PolarHBondContact N-O 2.9Å; L620-R641 PolarHBondContact O-N 3.26Å; L620-C643 HydrophobicContact CD1-CB 4Å; L620-C643 VanDerWaalsContact CD1-SG 3.55Å; L620-C643 HydrophobicContact CG-CB 4.21Å; L620-F650 HydrophobicContact CD1-CE2 4.47Å; L620-F650 HydrophobicContact CD1-CZ 3.82Å |
| 621 | Y | 67 | Low | 56.6 | Low | 93 Ų | 93 | 94.5 Ų | 94.5 | 37% | 0.365 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 117.5 | 177 | -69.1 | -91.9 | 0 | 0 | 0 | 110.1 | L619 C623 A640 | L619-Y621 HydrophobicContact CD2-CE2 3.99Å; Y621-C623 PolarHBondContact O-N 2.96Å; Y621-A640 HydrophobicContact CD1-CB 4.2Å; Y621-A640 HydrophobicContact CE1-CB 3.92Å |
| 622 | E | 66.9 | Low | 56.6 | Low | 66 Ų | 66 | 95.1 Ų | 95.1 | 31% | 0.308 | 52% | 0.523 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 116.8 | 171.3 | -174.3 | -166.2 | 157 | 0 | 0 | 108.8 | K624 S638 K639 R641 | E622-K624 WeakPolarHBondContact OE1-CE 3.5Å; E622-S638 WeakPolarHBondContact O-CA 3.33Å; E622-K639 PolarHBondContact N-O 3.4Å; E622-K639 PolarHBondContact O-N 3.4Å; E622-R641 HydrophobicContact CB-CG 4.06Å; E622-R641 IonicContact OE2-CZ 3.1Å; E622-R641 IonicContact OE2-NE 2.71Å; E622-R641 PolarHBondContact OE2-NE 3.49Å; E622-R641 IonicContact OE2-NH2 3.15Å; E622-R641 PolarHBondContact OE2-NH2 2.9Å |
| 623 | C | 58.8 | Low | 55.9 | Low | 91 Ų | 91 | 101.2 Ų | 101.2 | 62% | 0.615 | 54% | 0.539 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 126.9 | 173.9 | -65.7 | 0 | 0 | 0 | 0 | 109.3 | Y621 | Y621-C623 PolarHBondContact O-N 2.96Å |
| 624 | K | 55.1 | Low | 55.1 | Low | 118 Ų | 118 | 104.2 Ų | 104.2 | 51% | 0.513 | 56% | 0.557 | S | S | . | * | trans | -94.8 | 144.5 | 172.4 | -67.8 | -168.5 | 174.8 | -163.1 | 0 | 111 | E622 | E622-K624 WeakPolarHBondContact OE1-CE 3.5Š| ||
| 625 | D | 51.4 | Low | 53.8 | Low | 165 Ų | 165 | 106 Ų | 106 | 88% | 0.882 | 57% | 0.571 | S | S | * | * | trans | -57.3 | 142.4 | -179.8 | -96.5 | -31.9 | 0 | 0 | 0 | 113.3 | R627 | D625-R627 PolarHBondContact O-N 3.37Š| ||
| 626 | V | 47.2 | Very low | 52.9 | Low | 82 Ų | 82 | 106.9 Ų | 106.9 | 50% | 0.497 | 58% | 0.582 | S | S | . | * | trans | -70.8 | 112.8 | -175.3 | -179.8 | 0 | 0 | 0 | 0 | 110 | T634 | V626-T634 HydrophobicContact CG1-CG2 3.81Š| ||
| 627 | R | 42.5 | Very low | 52.1 | Low | 224 Ų | 224 | 104.5 Ų | 104.5 | 85% | 0.845 | 58% | 0.58 | S | S | * | * | trans | -91.1 | 129 | 160 | -72.1 | -174.8 | 178 | 178.2 | -1.4 | 108.8 | D625 | D625-R627 PolarHBondContact O-N 3.37Š| ||
| 628 | S | 42.1 | Very low | 51.3 | Low | 103 Ų | 103 | 102.6 Ų | 102.6 | 72% | 0.72 | 58% | 0.579 | S | S | * | * | trans | -82.9 | 113.8 | 174.3 | 54.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 629 | D | 41.7 | Very low | 51.1 | Low | 111 Ų | 111 | 105.6 Ų | 105.6 | 59% | 0.594 | 58% | 0.583 | S | S | * | * | trans | -71.7 | 155.6 | 163.6 | -77.8 | -22.9 | 0 | 0 | 0 | 110.3 | L631 G632 | D629-L631 PolarHBondContact O-N 3.25Å; D629-G632 PolarHBondContact O-N 3.39Å | ||
| 630 | C | 49.1 | Very low | 51.1 | Low | 138 Ų | 138 | 104.2 Ų | 104.2 | 93% | 0.932 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.6 | 0.3 | -179.4 | 35 | 0 | 0 | 0 | 0 | 115.7 | ||
| 631 | L | 41.5 | Very low | 51.4 | Low | 142 Ų | 142 | 103.4 Ų | 103.4 | 74% | 0.743 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.2 | 9 | 177.9 | -83.9 | 144.3 | 0 | 0 | 0 | 114 | D629 R633 | D629-L631 PolarHBondContact O-N 3.25Å; L631-R633 PolarHBondContact O-N 3.06Å; L631-R633 VanDerWaalsContact O-N 3.12Å |
| 632 | G | 39.8 | Very low | 52 | Low | 66 Ų | 66 | 101.6 Ų | 101.6 | 68% | 0.68 | 57% | 0.569 | S | S | * | * | trans | 67.1 | 14 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | D629 | D629-G632 PolarHBondContact O-N 3.39Š| ||
| 633 | R | 38.5 | Very low | 52.5 | Low | 190 Ų | 190 | 98.9 Ų | 98.9 | 72% | 0.717 | 56% | 0.557 | S | S | * | * | trans | -88.9 | 116.2 | 173.4 | -66.7 | -174.6 | -164.3 | -172.5 | 4.7 | 109.7 | L631 C635 | L631-R633 PolarHBondContact O-N 3.06Å; L631-R633 VanDerWaalsContact O-N 3.12Å; R633-C635 PolarHBondContact O-N 3.2Å | ||
| 634 | T | 37.9 | Very low | 53.3 | Low | 107 Ų | 107 | 96.5 Ų | 96.5 | 66% | 0.656 | 54% | 0.536 | S | S | * | . | trans | -85.7 | 103.5 | 173.3 | 52 | 0 | 0 | 0 | 0 | 109.7 | V626 | V626-T634 HydrophobicContact CG1-CG2 3.81Š| ||
| 635 | C | 36.5 | Very low | 54.3 | Low | 104 Ų | 104 | 91.4 Ų | 91.4 | 70% | 0.703 | 51% | 0.514 | S | S | * | . | trans | -97.6 | 98.2 | 172.6 | -63.8 | 0 | 0 | 0 | 0 | 109.1 | R633 | R633-C635 PolarHBondContact O-N 3.2Š| ||
| 636 | S | 45.3 | Very low | 55.3 | Low | 73 Ų | 73 | 83.5 Ų | 83.5 | 51% | 0.51 | 47% | 0.472 | S | S | . | . | trans | -86.8 | 117.6 | 168.4 | -174.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 637 | S | 49.9 | Very low | 56.1 | Low | 61 Ų | 61 | 81.3 Ų | 81.3 | 43% | 0.427 | 46% | 0.456 | S | S | . | . | trans | -89.4 | 112.4 | 171.5 | 75.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 638 | S | 58.7 | Low | 57.2 | Low | 77 Ų | 77 | 72.1 Ų | 72.1 | 54% | 0.538 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 139.4 | 168.7 | 62.6 | 0 | 0 | 0 | 0 | 110.1 | E622 | E622-S638 WeakPolarHBondContact O-CA 3.33Å |
| 639 | K | 67.7 | Low | 58.8 | Low | 96 Ų | 96 | 67.8 Ų | 67.8 | 42% | 0.417 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 124.8 | 176.4 | -60.1 | -177.8 | 179.2 | 178.5 | 0 | 110.6 | E622 R641 | E622-K639 PolarHBondContact N-O 3.4Å; E622-K639 PolarHBondContact O-N 3.4Å; K639-R641 VanDerWaalsContact CB-NH1 3.34Å; K639-R641 VanDerWaalsContact CD-NH2 3.3Å |
| 640 | A | 69.7 | Low | 60.6 | Low | 35 Ų | 35 | 64 Ų | 64 | 29% | 0.289 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 140.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L619 L620 Y621 | L619-A640 HydrophobicContact CD1-CB 4.43Å; L619-A640 HydrophobicContact CD2-CB 4.39Å; L620-A640 CarbonylContact O-C 3.42Å; Y621-A640 HydrophobicContact CD1-CB 4.2Å; Y621-A640 HydrophobicContact CE1-CB 3.92Å |
| 641 | R | 73.3 | Confident | 62.1 | Low | 29 Ų | 29 | 59.2 Ų | 59.2 | 11% | 0.109 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 137.4 | -179.7 | -59.4 | -64.1 | 175.9 | -111.8 | 5.2 | 108.8 | L619 L620 E622 K639 W652 | L619-R641 CarbonylContact C-O 3.47Å; L619-R641 WeakPolarHBondContact CA-O 3.15Å; L620-R641 PolarHBondContact N-O 2.9Å; L620-R641 PolarHBondContact O-N 3.26Å; E622-R641 HydrophobicContact CB-CG 4.06Å; E622-R641 IonicContact OE2-CZ 3.1Å; E622-R641 IonicContact OE2-NE 2.71Å; E622-R641 PolarHBondContact OE2-NE 3.49Å; E622-R641 IonicContact OE2-NH2 3.15Å; E622-R641 PolarHBondContact OE2-NH2 2.9Å; K639-R641 VanDerWaalsContact CB-NH1 3.34Å; K639-R641 VanDerWaalsContact CD-NH2 3.3Å; R641-W652 HydrophobicContact CB-CB 4.34Å |
| 642 | H | 78.3 | Confident | 64.1 | Low | 55 Ų | 55 | 55.6 Ų | 55.6 | 26% | 0.255 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 131.5 | 166.3 | -120.3 | 74 | 0 | 0 | 0 | 108.1 | L619 Y644 W652 C653 | L619-H642 WeakPolarHBondContact CD1-ND1 3.34Å; H642-Y644 HydrophobicContact CB-CE2 4.34Å; H642-W652 CarbonylContact O-C 3.49Å; H642-W652 WeakPolarHBondContact O-CA 3.35Å; H642-W652 WeakPolarHBondContact O-CB 3.05Å; H642-C653 PolarHBondContact N-O 3.28Å; H642-C653 PolarHBondContact O-N 3.21Å |
| 643 | C | 78.2 | Confident | 66 | Low | 9 Ų | 9 | 52.6 Ų | 52.6 | 6% | 0.061 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 145.2 | -173.6 | -64.2 | 0 | 0 | 0 | 0 | 110.3 | E617 G618 L620 F650 Y651 W652 | E617-C643 WeakPolarHBondContact CA-O 3.46Å; G618-C643 PolarHBondContact N-O 3.03Å; G618-C643 PolarHBondContact O-N 2.88Å; L620-C643 HydrophobicContact CD1-CB 4Å; L620-C643 VanDerWaalsContact CD1-SG 3.55Å; L620-C643 HydrophobicContact CG-CB 4.21Å; C643-F650 HydrophobicContact CB-CE2 3.88Å; C643-F650 HydrophobicContact CB-CZ 3.8Å; C643-Y651 CarbonylContact C-O 3.34Å; C643-Y651 WeakPolarHBondContact CA-O 3.48Å; C643-W652 HydrophobicContact CB-CB 4.47Å; C643-W652 WeakPolarHBondContact SG-CB 3.09Å |
| 644 | Y | 75.9 | Confident | 67.6 | Low | 42 Ų | 42 | 49.8 Ų | 49.8 | 17% | 0.165 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 126.4 | -179.3 | -59.8 | -94.4 | 0 | 0 | 0 | 108.3 | V614 E617 H642 F650 Y651 | V614-Y644 HydrophobicContact CG1-CD1 4.27Å; V614-Y644 HydrophobicContact CG2-CD1 4.45Å; E617-Y644 HydrophobicContact CB-CD1 3.85Å; E617-Y644 HydrophobicContact CB-CE1 4.08Å; E617-Y644 WeakPolarHBondContact OE2-CE1 3.24Å; H642-Y644 HydrophobicContact CB-CE2 4.34Å; Y644-F650 CarbonylContact O-C 3.49Å; Y644-F650 VanDerWaalsContact O-CA 3.3Å; Y644-F650 WeakPolarHBondContact O-CA 3.46Å; Y644-Y651 WeakPolarHBondContact CB-OH 3.33Å; Y644-Y651 AromaticContact CD2-CD2 3.77Å; Y644-Y651 HydrophobicContact CD2-CD2 3.77Å; Y644-Y651 AromaticContact CD2-CE2 3.14Å; Y644-Y651 HydrophobicContact CD2-CE2 3.14Å; Y644-Y651 AromaticContact CD2-CZ 3.61Å; Y644-Y651 AromaticContact CE2-CE2 3.85Å; Y644-Y651 HydrophobicContact CE2-CE2 3.85Å; Y644-Y651 HydrophobicContact CG-CD2 4.33Å; Y644-Y651 HydrophobicContact CG-CE1 4.19Å; Y644-Y651 AromaticContact CG-CE2 3.54Å; Y644-Y651 HydrophobicContact CG-CE2 3.54Å; Y644-Y651 AromaticContact CG-CZ 3.44Å; Y644-Y651 VanDerWaalsContact CG-CZ 3.44Å; Y644-Y651 PolarHBondContact N-O 2.98Å; Y644-Y651 PolarHBondContact O-N 3.11Å |
| 645 | L | 74.9 | Confident | 68.7 | Low | 10 Ų | 10 | 50.5 Ų | 50.5 | 5% | 0.052 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 127.4 | 169.6 | 178.5 | 66.7 | 0 | 0 | 0 | 107.9 | V614 L615 K616 F650 L681 L716 M717 | V614-L645 CarbonylContact C-O 3.58Å; V614-L645 WeakPolarHBondContact CA-O 3.48Å; L615-L645 HydrophobicContact CB-CD2 4.38Å; L615-L645 HydrophobicContact CB-CG 4.34Å; L615-L645 HydrophobicContact CD1-CG 4.49Å; L615-L645 PolarHBondContact N-O 3.44Å; K616-L645 HydrophobicContact CB-CB 4.18Å; K616-L645 HydrophobicContact CB-CD2 4.45Å; K616-L645 PolarHBondContact N-O 3.28Å; K616-L645 PolarHBondContact O-N 2.89Å; L645-F650 HydrophobicContact CB-CD2 4.26Å; L645-F650 HydrophobicContact CD1-CB 4.23Å; L645-F650 HydrophobicContact CD1-CD2 4.3Å; L645-L681 HydrophobicContact CD1-CD1 4.05Å; L645-L681 HydrophobicContact CD1-CD2 4.02Å; L645-L716 HydrophobicContact CD2-CD2 4.21Å; L645-L716 HydrophobicContact CD2-CG 4.26Å; L645-M717 HydrophobicContact CD1-CG 3.85Å; L645-M717 HydrophobicContact CD2-CG 3.66Å; L645-M717 HydrophobicContact CG-CG 4.4Å |
| 646 | T | 72 | Confident | 69.2 | Low | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | -178.5 | -178.8 | 75.2 | 0 | 0 | 0 | 0 | 109.7 | V612 T613 V614 L615 N648 E649 Y651 L681 | V612-T646 HydrophobicContact CG1-CG2 3.15Å; T613-T646 CarbonylContact O-C 3.54Å; T613-T646 WeakPolarHBondContact O-CA 3.46Å; V614-T646 HydrophobicContact CG2-CG2 4.41Å; L615-T646 WeakPolarHBondContact CD1-O 2.99Å; T646-N648 PolarHBondContact O-N 2.94Å; T646-N648 PolarHBondContact OG1-N 3.47Å; T646-E649 WeakPolarHBondContact CB-O 3.49Å; T646-E649 HydrophobicContact CG2-CG 4.31Å; T646-E649 PolarHBondContact N-O 2.9Å; T646-E649 VanDerWaalsContact OG1-CG 3.26Å; T646-E649 WeakPolarHBondContact OG1-CG 3.3Å; T646-E649 PolarHBondContact OG1-N 3.18Å; T646-E649 PolarHBondContact OG1-O 2.84Å; T646-Y651 HydrophobicContact CG2-CD1 4.34Å; T646-Y651 HydrophobicContact CG2-CE1 3.78Å; T646-L681 VanDerWaalsContact O-CD1 3.27Å; T646-L681 WeakPolarHBondContact O-CD1 3.11Å |
| 647 | E | 65 | Low | 68.8 | Low | 36 Ų | 36 | 53.1 Ų | 53.1 | 17% | 0.168 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -65.2 | -25.2 | 175.1 | -51.1 | -152.8 | 135.6 | 0 | 0 | 113.1 | T613 L615 R723 Q724 | T613-E647 PolarHBondContact O-N 3.33Å; T613-E647 WeakPolarHBondContact OG1-CG 3.45Å; T613-E647 PolarHBondContact OG1-OE1 3.33Å; T613-E647 PolarHBondContact OG1-OE2 2.93Å; L615-E647 HydrophobicContact CD2-CG 4.21Å; L615-E647 HydrophobicContact CG-CG 4.36Å; E647-R723 VanDerWaalsContact CB-NH2 3.35Å; E647-R723 IonicContact OE1-CZ 3.3Å; E647-R723 IonicContact OE1-NH1 3.17Å; E647-R723 PolarHBondContact OE1-NH1 2.8Å; E647-R723 VanDerWaalsContact OE1-NH1 3.14Å; E647-R723 IonicContact OE1-NH2 2.69Å; E647-R723 PolarHBondContact OE1-NH2 3.31Å; E647-R723 IonicContact OE2-NH2 3.02Å; E647-Q724 WeakPolarHBondContact O-CG 3.48Å; E647-Q724 PolarHBondContact O-NE2 3.07Å |
| 648 | N | 66 | Low | 67.9 | Low | 31 Ų | 31 | 59.6 Ų | 59.6 | 17% | 0.166 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -123.4 | -26.9 | -166.3 | -55.8 | -4.3 | 0 | 0 | 0 | 113.2 | D610 T646 L681 Q724 | D610-N648 PolarHBondContact OD1-ND2 3.29Å; T646-N648 PolarHBondContact O-N 2.94Å; T646-N648 PolarHBondContact OG1-N 3.47Å; N648-L681 PolarHBondContact O-N 3.3Å; N648-Q724 VanDerWaalsContact CG-NE2 3.34Å; N648-Q724 PolarHBondContact OD1-NE2 3.17Å |
| 649 | E | 75.3 | Confident | 66.5 | Low | 12 Ų | 12 | 67.6 Ų | 67.6 | 6% | 0.056 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 154.1 | -176.6 | 57.3 | 170.6 | -162.7 | 0 | 0 | 112.8 | T646 Y651 R675 L679 Y680 | T646-E649 WeakPolarHBondContact CB-O 3.49Å; T646-E649 HydrophobicContact CG2-CG 4.31Å; T646-E649 PolarHBondContact N-O 2.9Å; T646-E649 VanDerWaalsContact OG1-CG 3.26Å; T646-E649 WeakPolarHBondContact OG1-CG 3.3Å; T646-E649 PolarHBondContact OG1-N 3.18Å; T646-E649 PolarHBondContact OG1-O 2.84Å; E649-Y651 HydrophobicContact CG-CD1 4.04Å; E649-Y651 VanDerWaalsContact OE1-CD1 3.29Å; E649-Y651 WeakPolarHBondContact OE1-CD1 3.33Å; E649-R675 IonicContact OE1-CZ 3.6Å; E649-R675 VanDerWaalsContact OE1-CZ 3.3Å; E649-R675 IonicContact OE1-NH1 2.66Å; E649-R675 PolarHBondContact OE1-NH1 3.04Å; E649-R675 VanDerWaalsContact OE1-NH1 3.17Å; E649-R675 IonicContact OE1-NH2 3.77Å; E649-R675 PolarHBondContact OE1-NH2 3.46Å; E649-R675 IonicContact OE2-CZ 3.84Å; E649-R675 IonicContact OE2-NH1 2.9Å; E649-R675 PolarHBondContact OE2-NH1 3.19Å; E649-R675 IonicContact OE2-NH2 3.15Å; E649-L679 CarbonylContact C-O 3.5Å; E649-L679 VanDerWaalsContact CA-O 3.27Å; E649-L679 WeakPolarHBondContact CA-O 3.41Å; E649-Y680 HydrophobicContact CB-CD1 4.21Å |
| 650 | F | 78.9 | Confident | 64.5 | Low | 32 Ų | 32 | 71.5 Ų | 71.5 | 14% | 0.14 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 120.3 | 163.2 | 173.2 | -95.8 | 0 | 0 | 0 | 108.8 | L620 C643 Y644 L645 W652 Q678 L679 L681 | L620-F650 HydrophobicContact CD1-CE2 4.47Å; L620-F650 HydrophobicContact CD1-CZ 3.82Å; C643-F650 HydrophobicContact CB-CE2 3.88Å; C643-F650 HydrophobicContact CB-CZ 3.8Å; Y644-F650 CarbonylContact O-C 3.49Å; Y644-F650 VanDerWaalsContact O-CA 3.3Å; Y644-F650 WeakPolarHBondContact O-CA 3.46Å; L645-F650 HydrophobicContact CB-CD2 4.26Å; L645-F650 HydrophobicContact CD1-CB 4.23Å; L645-F650 HydrophobicContact CD1-CD2 4.3Å; F650-W652 AromaticContact CD1-CE3 3.94Å; F650-W652 HydrophobicContact CD1-CE3 3.94Å; F650-W652 HydrophobicContact CD1-CZ3 4.01Å; F650-W652 AromaticContact CE1-CE3 3.66Å; F650-W652 HydrophobicContact CE1-CE3 3.66Å; F650-W652 HydrophobicContact CE1-CZ3 4.01Å; F650-Q678 CarbonylContact O-C 3.45Å; F650-Q678 WeakPolarHBondContact O-CA 3.24Å; F650-L679 HydrophobicContact CB-CB 4.45Å; F650-L679 HydrophobicContact CD1-CD1 4.18Å; F650-L679 PolarHBondContact N-O 3.02Å; F650-L679 PolarHBondContact O-N 3.5Å; F650-L681 HydrophobicContact CB-CD2 4.32Å |
| 651 | Y | 80.3 | Confident | 62.5 | Low | 37 Ų | 37 | 77.8 Ų | 77.8 | 15% | 0.145 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 156.4 | -178.5 | 67.4 | -92.1 | 0 | 0 | 0 | 112.6 | C643 Y644 T646 E649 R675 G677 | C643-Y651 CarbonylContact C-O 3.34Å; C643-Y651 WeakPolarHBondContact CA-O 3.48Å; Y644-Y651 WeakPolarHBondContact CB-OH 3.33Å; Y644-Y651 AromaticContact CD2-CD2 3.77Å; Y644-Y651 HydrophobicContact CD2-CD2 3.77Å; Y644-Y651 AromaticContact CD2-CE2 3.14Å; Y644-Y651 HydrophobicContact CD2-CE2 3.14Å; Y644-Y651 AromaticContact CD2-CZ 3.61Å; Y644-Y651 AromaticContact CE2-CE2 3.85Å; Y644-Y651 HydrophobicContact CE2-CE2 3.85Å; Y644-Y651 HydrophobicContact CG-CD2 4.33Å; Y644-Y651 HydrophobicContact CG-CE1 4.19Å; Y644-Y651 AromaticContact CG-CE2 3.54Å; Y644-Y651 HydrophobicContact CG-CE2 3.54Å; Y644-Y651 AromaticContact CG-CZ 3.44Å; Y644-Y651 VanDerWaalsContact CG-CZ 3.44Å; Y644-Y651 PolarHBondContact N-O 2.98Å; Y644-Y651 PolarHBondContact O-N 3.11Å; T646-Y651 HydrophobicContact CG2-CD1 4.34Å; T646-Y651 HydrophobicContact CG2-CE1 3.78Å; E649-Y651 HydrophobicContact CG-CD1 4.04Å; E649-Y651 VanDerWaalsContact OE1-CD1 3.29Å; E649-Y651 WeakPolarHBondContact OE1-CD1 3.33Å; Y651-R675 HydrophobicContact CD2-CG 4.37Å; Y651-G677 WeakPolarHBondContact CA-O 3.43Å |
| 652 | W | 85 | Confident | 60.4 | Low | 65 Ų | 65 | 83.9 Ų | 83.9 | 25% | 0.246 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 148.4 | 179.4 | 63.2 | 92.9 | 0 | 0 | 0 | 113.5 | R641 H642 C643 F650 L676 G677 L679 | R641-W652 HydrophobicContact CB-CB 4.34Å; H642-W652 CarbonylContact O-C 3.49Å; H642-W652 WeakPolarHBondContact O-CA 3.35Å; H642-W652 WeakPolarHBondContact O-CB 3.05Å; C643-W652 HydrophobicContact CB-CB 4.47Å; C643-W652 WeakPolarHBondContact SG-CB 3.09Å; F650-W652 AromaticContact CD1-CE3 3.94Å; F650-W652 HydrophobicContact CD1-CE3 3.94Å; F650-W652 HydrophobicContact CD1-CZ3 4.01Å; F650-W652 AromaticContact CE1-CE3 3.66Å; F650-W652 HydrophobicContact CE1-CE3 3.66Å; F650-W652 HydrophobicContact CE1-CZ3 4.01Å; W652-L676 PolarHBondContact O-N 3.14Å; W652-G677 VanDerWaalsContact CZ2-CA 3.48Å; W652-G677 PolarHBondContact N-O 3.43Å; W652-G677 PolarHBondContact O-N 3.46Å; W652-L679 HydrophobicContact CH2-CG 4.37Å; W652-L679 HydrophobicContact CZ3-CD1 4.25Å; W652-L679 HydrophobicContact CZ3-CG 4.08Å |
| 653 | C | 78.3 | Confident | 58.1 | Low | 4 Ų | 4 | 88.2 Ų | 88.2 | 3% | 0.027 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 160 | -174.1 | 66.2 | 0 | 0 | 0 | 0 | 113.7 | H642 | H642-C653 PolarHBondContact N-O 3.28Å; H642-C653 PolarHBondContact O-N 3.21Å |
| 654 | K | 73.5 | Confident | 55.8 | Low | 130 Ų | 130 | 96 Ų | 96 | 57% | 0.565 | 45% | 0.448 | S | S | * | . | trans | -81.6 | 126.7 | 174.3 | -164.3 | 177.8 | 176.7 | -177.5 | 0 | 109.8 | K656 L676 | K654-K656 PolarHBondContact O-N 3.43Å; K654-L676 HydrophobicContact CB-CD1 3.75Å; K654-L676 HydrophobicContact CB-CD2 4.43Å; K654-L676 HydrophobicContact CB-CG 4.14Å; K654-L676 HydrophobicContact CG-CD1 4.46Å | ||
| 655 | Q | 61.2 | Low | 53.8 | Low | 122 Ų | 122 | 104.5 Ų | 104.5 | 57% | 0.57 | 48% | 0.481 | S | S | * | . | trans | -72 | 114.9 | 172.4 | -165.5 | 175.4 | 21.1 | 0 | 0 | 109.9 | ||||
| 656 | K | 46 | Very low | 51.7 | Low | 168 Ų | 168 | 110.9 Ų | 110.9 | 73% | 0.73 | 51% | 0.509 | S | S | * | . | trans | -80.6 | 125.4 | 161.3 | -78.3 | -177.2 | 178.9 | 171.6 | 0 | 107.4 | K654 | K654-K656 PolarHBondContact O-N 3.43Š| ||
| 657 | G | 38 | Very low | 49.9 | Very low | 64 Ų | 64 | 118.4 Ų | 118.4 | 66% | 0.66 | 55% | 0.548 | S | S | * | . | trans | -57.6 | 149.3 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | R659 | G657-R659 PolarHBondContact O-N 2.92Å; G657-R659 VanDerWaalsContact O-N 3.1Å | ||
| 658 | K | 30.4 | Very low | 48.4 | Very low | 197 Ų | 197 | 125.5 Ų | 125.5 | 86% | 0.857 | 58% | 0.579 | S | S | * | * | trans | -44.6 | 110.6 | 172.3 | -72.4 | 175.9 | 173.1 | 179.1 | 0 | 111.1 | ||||
| 659 | R | 28.7 | Very low | 46.7 | Very low | 246 Ų | 246 | 127.1 Ų | 127.1 | 93% | 0.928 | 59% | 0.587 | S | S | * | * | trans | -114.3 | 113.5 | 150.3 | -81.1 | -171.4 | 175.5 | -179 | -1.7 | 107.5 | G657 | G657-R659 PolarHBondContact O-N 2.92Å; G657-R659 VanDerWaalsContact O-N 3.1Å | ||
| 660 | F | 26.7 | Very low | 44.8 | Very low | 177 Ų | 177 | 136.9 Ų | 136.9 | 78% | 0.776 | 63% | 0.625 | S | S | * | * | trans | -63.5 | 159.3 | 159.1 | -93.4 | -103.7 | 0 | 0 | 0 | 109.2 | ||||
| 661 | F | 27.7 | Very low | 42.8 | Very low | 167 Ų | 167 | 143 Ų | 143 | 73% | 0.732 | 66% | 0.659 | S | S | * | * | trans | 95.5 | 122.4 | 167.7 | -70.3 | -88.1 | 0 | 0 | 0 | 118.5 | ||||
| 662 | E | 27.2 | Very low | 40.8 | Very low | 158 Ų | 158 | 146 Ų | 146 | 74% | 0.738 | 68% | 0.677 | S | S | * | * | trans | 49.7 | 94.2 | 135.4 | -67.1 | 167.9 | 176.9 | 0 | 0 | 116.6 | ||||
| 663 | D | 30.8 | Very low | 39.1 | Very low | 145 Ų | 145 | 145.4 Ų | 145.4 | 78% | 0.775 | 68% | 0.682 | S | S | * | * | trans | 180 | 128.3 | 131 | -89.4 | -28 | 0 | 0 | 0 | 111.5 | Y665 | D663-Y665 PolarHBondContact O-N 3.02Š| ||
| 664 | L | 31.2 | Very low | 37.9 | Very low | 174 Ų | 174 | 149.4 Ų | 149.4 | 91% | 0.911 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75 | 12.9 | -171.3 | -129.2 | 95.7 | 0 | 0 | 0 | 114.6 | ||
| 665 | Y | 33.5 | Very low | 37.8 | Very low | 219 Ų | 219 | 148.8 Ų | 148.8 | 86% | 0.859 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.9 | 5.5 | -174.2 | -99.3 | -91.1 | 0 | 0 | 0 | 114.8 | D663 | D663-Y665 PolarHBondContact O-N 3.02Š|
| 666 | F | 30.3 | Very low | 38.1 | Very low | 145 Ų | 145 | 146.8 Ų | 146.8 | 64% | 0.636 | 69% | 0.694 | S | S | * | * | trans | -109.5 | 14 | -168.4 | -109.1 | -108.1 | 0 | 0 | 0 | 116.7 | K668 N669 | F666-K668 PolarHBondContact O-N 2.88Å; F666-K668 VanDerWaalsContact O-N 3.16Å; F666-N669 HydrophobicContact CD1-CB 3.84Å; F666-N669 WeakPolarHBondContact CD1-ND2 3.39Å; F666-N669 HydrophobicContact CE1-CB 4.31Å; F666-N669 WeakPolarHBondContact CE1-ND2 3.22Å; F666-N669 WeakPolarHBondContact O-CB 3.36Å; F666-N669 PolarHBondContact O-N 2.73Å | ||
| 667 | L | 34.1 | Very low | 39.4 | Very low | 157 Ų | 157 | 139.7 Ų | 139.7 | 82% | 0.822 | 67% | 0.668 | S | S | * | * | G | 310 helix | trans | -72.7 | -6.2 | -178.2 | -122.6 | 119.7 | 0 | 0 | 0 | 114.9 | N669 | L667-N669 PolarHBondContact O-N 3.31Š|
| 668 | K | 32.8 | Very low | 41.4 | Very low | 186 Ų | 186 | 140.3 Ų | 140.3 | 81% | 0.809 | 65% | 0.654 | S | S | * | * | G | 310 helix | trans | -71.4 | -12.9 | 166.4 | -147.5 | 173.2 | -176.1 | 179.4 | 0 | 112.4 | F666 | F666-K668 PolarHBondContact O-N 2.88Å; F666-K668 VanDerWaalsContact O-N 3.16Å |
| 669 | N | 30.9 | Very low | 43.5 | Very low | 64 Ų | 64 | 134.7 Ų | 134.7 | 34% | 0.342 | 63% | 0.633 | S | S | . | * | G | 310 helix | trans | -103.7 | 6.1 | -170.7 | -67.7 | -32.3 | 0 | 0 | 0 | 116.3 | F666 L667 L671 D672 | F666-N669 HydrophobicContact CD1-CB 3.84Å; F666-N669 WeakPolarHBondContact CD1-ND2 3.39Å; F666-N669 HydrophobicContact CE1-CB 4.31Å; F666-N669 WeakPolarHBondContact CE1-ND2 3.22Å; F666-N669 WeakPolarHBondContact O-CB 3.36Å; F666-N669 PolarHBondContact O-N 2.73Å; L667-N669 PolarHBondContact O-N 3.31Å; N669-L671 PolarHBondContact O-N 3.21Å; N669-D672 HydrophobicContact CB-CB 4.19Å; N669-D672 PolarHBondContact O-N 3.07Å; N669-D672 PolarHBondContact OD1-OD2 3.4Å |
| 670 | Y | 36.1 | Very low | 45.7 | Very low | 217 Ų | 217 | 127.7 Ų | 127.7 | 85% | 0.851 | 61% | 0.607 | S | S | * | * | G | 310 helix | trans | -73.5 | -15.2 | 166.6 | -141.5 | -95.1 | 0 | 0 | 0 | 112.1 | ||
| 671 | L | 37.1 | Very low | 47.8 | Very low | 162 Ų | 162 | 119.4 Ų | 119.4 | 85% | 0.848 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -98.4 | -4.6 | 172.7 | -72.3 | 163.5 | 0 | 0 | 0 | 113.2 | N669 S673 | N669-L671 PolarHBondContact O-N 3.21Å; L671-S673 VanDerWaalsContact C-N 3.26Å; L671-S673 PolarHBondContact O-N 3.36Å |
| 672 | D | 36.9 | Very low | 49.6 | Very low | 100 Ų | 100 | 115.3 Ų | 115.3 | 54% | 0.535 | 56% | 0.56 | S | S | . | * | trans | -95.2 | 31.2 | -174.9 | -123.4 | 26.6 | 0 | 0 | 0 | 112.9 | N669 T674 | N669-D672 HydrophobicContact CB-CB 4.19Å; N669-D672 PolarHBondContact O-N 3.07Å; N669-D672 PolarHBondContact OD1-OD2 3.4Å; D672-T674 PolarHBondContact O-N 3.17Å | ||
| 673 | S | 50.7 | Low | 51.5 | Low | 51 Ų | 51 | 113.9 Ų | 113.9 | 36% | 0.357 | 55% | 0.553 | S | S | . | * | S | Bend | trans | -65.6 | 104.4 | 156.7 | -52.6 | 0 | 0 | 0 | 0 | 106.1 | L671 R675 | L671-S673 VanDerWaalsContact C-N 3.26Å; L671-S673 PolarHBondContact O-N 3.36Å; S673-R675 PolarHBondContact O-N 2.85Å |
| 674 | T | 53.1 | Low | 53.2 | Low | 88 Ų | 88 | 108.9 Ų | 108.9 | 54% | 0.54 | 53% | 0.528 | S | S | . | . | trans | -56.9 | 106.2 | 178.4 | -34.8 | 0 | 0 | 0 | 0 | 107.8 | D672 L676 | D672-T674 PolarHBondContact O-N 3.17Å; T674-L676 PolarHBondContact O-N 3.34Å | ||
| 675 | R | 69.7 | Low | 54.8 | Low | 117 Ų | 117 | 107.5 Ų | 107.5 | 44% | 0.442 | 53% | 0.526 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.3 | 115.9 | 176.3 | -79.2 | -173.3 | 177.3 | -161.9 | -1.9 | 106.1 | E649 Y651 S673 | E649-R675 IonicContact OE1-CZ 3.6Å; E649-R675 VanDerWaalsContact OE1-CZ 3.3Å; E649-R675 IonicContact OE1-NH1 2.66Å; E649-R675 PolarHBondContact OE1-NH1 3.04Å; E649-R675 VanDerWaalsContact OE1-NH1 3.17Å; E649-R675 IonicContact OE1-NH2 3.77Å; E649-R675 PolarHBondContact OE1-NH2 3.46Å; E649-R675 IonicContact OE2-CZ 3.84Å; E649-R675 IonicContact OE2-NH1 2.9Å; E649-R675 PolarHBondContact OE2-NH1 3.19Å; E649-R675 IonicContact OE2-NH2 3.15Å; Y651-R675 HydrophobicContact CD2-CG 4.37Å; S673-R675 PolarHBondContact O-N 2.85Å |
| 676 | L | 69.2 | Low | 56 | Low | 80 Ų | 80 | 102.8 Ų | 102.8 | 42% | 0.419 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | -21.5 | 177.9 | -70.9 | 179 | 0 | 0 | 0 | 110.9 | W652 K654 T674 | W652-L676 PolarHBondContact O-N 3.14Å; K654-L676 HydrophobicContact CB-CD1 3.75Å; K654-L676 HydrophobicContact CB-CD2 4.43Å; K654-L676 HydrophobicContact CB-CG 4.14Å; K654-L676 HydrophobicContact CG-CD1 4.46Å; T674-L676 PolarHBondContact O-N 3.34Å |
| 677 | G | 73.4 | Confident | 57.7 | Low | 19 Ų | 19 | 97.2 Ų | 97.2 | 20% | 0.196 | 49% | 0.492 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -176.4 | 163.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y651 W652 | Y651-G677 WeakPolarHBondContact CA-O 3.43Å; W652-G677 VanDerWaalsContact CZ2-CA 3.48Å; W652-G677 PolarHBondContact N-O 3.43Å; W652-G677 PolarHBondContact O-N 3.46Å |
| 678 | Q | 79.6 | Confident | 58.6 | Low | 77 Ų | 77 | 96.5 Ų | 96.5 | 36% | 0.36 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 150.1 | 178.8 | 68.3 | -171.3 | 18.1 | 0 | 0 | 108.8 | F650 Y680 | F650-Q678 CarbonylContact O-C 3.45Å; F650-Q678 WeakPolarHBondContact O-CA 3.24Å; Q678-Y680 PolarHBondContact NE2-OH 3.02Å |
| 679 | L | 74 | Confident | 59.5 | Low | 79 Ų | 79 | 91.6 Ų | 91.6 | 41% | 0.414 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 120.1 | 172 | -70.8 | 170.9 | 0 | 0 | 0 | 106.5 | E649 F650 W652 | E649-L679 CarbonylContact C-O 3.5Å; E649-L679 VanDerWaalsContact CA-O 3.27Å; E649-L679 WeakPolarHBondContact CA-O 3.41Å; F650-L679 HydrophobicContact CB-CB 4.45Å; F650-L679 HydrophobicContact CD1-CD1 4.18Å; F650-L679 PolarHBondContact N-O 3.02Å; F650-L679 PolarHBondContact O-N 3.5Å; W652-L679 HydrophobicContact CH2-CG 4.37Å; W652-L679 HydrophobicContact CZ3-CD1 4.25Å; W652-L679 HydrophobicContact CZ3-CG 4.08Å |
| 680 | Y | 74.7 | Confident | 60.4 | Low | 99 Ų | 99 | 92.8 Ų | 92.8 | 39% | 0.388 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 131.3 | 168.8 | -65.9 | -73.1 | 0 | 0 | 0 | 108.6 | E649 Q678 T682 E683 | E649-Y680 HydrophobicContact CB-CD1 4.21Å; Q678-Y680 PolarHBondContact NE2-OH 3.02Å; Y680-T682 WeakPolarHBondContact CB-OG1 3.37Å; Y680-T682 PolarHBondContact O-N 3.43Å; Y680-E683 WeakPolarHBondContact O-CB 3.47Å; Y680-E683 PolarHBondContact O-N 3.22Å |
| 681 | L | 70.9 | Confident | 60.7 | Low | 4 Ų | 4 | 89.3 Ų | 89.3 | 2% | 0.021 | 48% | 0.482 | C | S | . | . | G | 310 helix | trans | -64 | -23 | -179.4 | -66 | -175.1 | 0 | 0 | 0 | 111.9 | L645 T646 N648 F650 E683 V684 T720 Q724 | L645-L681 HydrophobicContact CD1-CD1 4.05Å; L645-L681 HydrophobicContact CD1-CD2 4.02Å; T646-L681 VanDerWaalsContact O-CD1 3.27Å; T646-L681 WeakPolarHBondContact O-CD1 3.11Å; N648-L681 PolarHBondContact O-N 3.3Å; F650-L681 HydrophobicContact CB-CD2 4.32Å; L681-E683 PolarHBondContact O-N 3.5Å; L681-V684 HydrophobicContact CD2-CG2 4.29Å; L681-V684 PolarHBondContact O-N 2.94Å; L681-T720 HydrophobicContact CD1-CG2 3.52Å; L681-Q724 HydrophobicContact CB-CG 4.28Å |
| 682 | T | 65.6 | Low | 61 | Low | 80 Ų | 80 | 93.6 Ų | 93.6 | 49% | 0.491 | 49% | 0.487 | S | S | . | . | G | 310 helix | trans | -63.2 | -26.2 | 170.2 | 57.6 | 0 | 0 | 0 | 0 | 113.6 | Y680 I728 | Y680-T682 WeakPolarHBondContact CB-OG1 3.37Å; Y680-T682 PolarHBondContact O-N 3.43Å; T682-I728 HydrophobicContact CG2-CD1 3.72Å |
| 683 | E | 67.2 | Low | 60.8 | Low | 129 Ų | 129 | 96.5 Ų | 96.5 | 60% | 0.603 | 49% | 0.494 | S | S | * | . | G | 310 helix | trans | -96 | -5.2 | -178.2 | -61.8 | 175.7 | 164.1 | 0 | 0 | 112.3 | Y680 L681 V685 | Y680-E683 WeakPolarHBondContact O-CB 3.47Å; Y680-E683 PolarHBondContact O-N 3.22Å; L681-E683 PolarHBondContact O-N 3.5Å; E683-V685 PolarHBondContact O-N 3.46Å |
| 684 | V | 67.3 | Low | 59.9 | Low | 39 Ų | 39 | 101.7 Ų | 101.7 | 24% | 0.236 | 52% | 0.518 | C | S | . | . | trans | -79.7 | 103.7 | -178.8 | 178.9 | 0 | 0 | 0 | 0 | 110 | L681 I687 | L681-V684 HydrophobicContact CD2-CG2 4.29Å; L681-V684 PolarHBondContact O-N 2.94Å; V684-I687 HydrophobicContact CG1-CD1 4.02Å; V684-I687 HydrophobicContact CG1-CG1 3.6Å | ||
| 685 | V | 63.3 | Low | 58.9 | Low | 146 Ų | 146 | 109.4 Ų | 109.4 | 89% | 0.885 | 54% | 0.538 | S | S | * | . | trans | -84.8 | -27.1 | -178.2 | -170.1 | 0 | 0 | 0 | 0 | 112.8 | E683 | E683-V685 PolarHBondContact O-N 3.46Š| ||
| 686 | L | 59.6 | Low | 57 | Low | 119 Ų | 119 | 107.5 Ų | 107.5 | 62% | 0.623 | 55% | 0.554 | S | S | * | * | trans | -152.6 | 132.4 | -173.1 | -176.8 | 65.8 | 0 | 0 | 0 | 111.9 | Q688 | L686-Q688 HydrophobicContact CD1-CG 3.9Å; L686-Q688 HydrophobicContact CD2-CG 4.13Å; L686-Q688 HydrophobicContact CG-CG 3.89Å | ||
| 687 | I | 64.7 | Low | 55.2 | Low | 29 Ų | 29 | 115 Ų | 115 | 15% | 0.149 | 58% | 0.577 | C | S | . | * | trans | -123.3 | 110.3 | 171.5 | -52.8 | 167.6 | 0 | 0 | 0 | 108.4 | V684 V714 M717 K718 | V684-I687 HydrophobicContact CG1-CD1 4.02Å; V684-I687 HydrophobicContact CG1-CG1 3.6Å; I687-V714 HydrophobicContact CG2-CB 4.43Å; I687-V714 HydrophobicContact CG2-CG1 3.77Å; I687-V714 HydrophobicContact CG2-CG2 4.36Å; I687-M717 HydrophobicContact CD1-CB 3.79Å; I687-M717 HydrophobicContact CD1-CE 4.18Å; I687-K718 HydrophobicContact CB-CG 4.18Å; I687-K718 HydrophobicContact CD1-CG 3.94Å; I687-K718 WeakPolarHBondContact O-CE 3.21Å | ||
| 688 | Q | 54.4 | Low | 53.1 | Low | 142 Ų | 142 | 125.7 Ų | 125.7 | 66% | 0.664 | 61% | 0.611 | S | S | * | * | trans | -121.3 | 140.4 | 178.4 | -73.8 | -179.8 | -8.7 | 0 | 0 | 111.1 | L686 | L686-Q688 HydrophobicContact CD1-CG 3.9Å; L686-Q688 HydrophobicContact CD2-CG 4.13Å; L686-Q688 HydrophobicContact CG-CG 3.89Å | ||
| 689 | P | 51.9 | Low | 50.7 | Low | 82 Ų | 82 | 127.4 Ų | 127.4 | 53% | 0.532 | 63% | 0.627 | S | S | . | * | trans | -65.7 | 139.4 | 168.6 | 13.8 | -8.3 | 0 | 0 | 0 | 110 | E691 | P689-E691 PolarHBondContact O-N 3.38Å; P689-E691 VanDerWaalsContact O-N 3.17Å | ||
| 690 | A | 48.1 | Very low | 48.5 | Very low | 90 Ų | 90 | 127.8 Ų | 127.8 | 74% | 0.744 | 64% | 0.636 | S | S | * | * | trans | -70.1 | 110.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | R692 | A690-R692 PolarHBondContact O-N 2.96Š| ||
| 691 | E | 43.8 | Very low | 46.4 | Very low | 144 Ų | 144 | 130.1 Ų | 130.1 | 67% | 0.673 | 66% | 0.655 | S | S | * | * | trans | -68.1 | 117.3 | 173.3 | -70.8 | -174.3 | 166.9 | 0 | 0 | 110.5 | P689 K693 | P689-E691 PolarHBondContact O-N 3.38Å; P689-E691 VanDerWaalsContact O-N 3.17Å; E691-K693 PolarHBondContact O-N 3.19Å; E691-K693 WeakPolarHBondContact OE2-CE 3.38Å; E691-K693 IonicContact OE2-NZ 2.83Å; E691-K693 PolarHBondContact OE2-NZ 3.25Å; E691-K693 VanDerWaalsContact OE2-NZ 3.15Å | ||
| 692 | R | 42.2 | Very low | 44.5 | Very low | 251 Ų | 251 | 136.9 Ų | 136.9 | 95% | 0.947 | 69% | 0.69 | S | S | * | * | trans | -69.8 | 79.4 | 165.1 | -95.8 | -175.1 | 169.8 | 173.8 | -1.8 | 109.6 | A690 N694 | A690-R692 PolarHBondContact O-N 2.96Å; R692-N694 PolarHBondContact O-N 2.98Å | ||
| 693 | K | 34.1 | Very low | 42.6 | Very low | 161 Ų | 161 | 136.7 Ų | 136.7 | 70% | 0.7 | 70% | 0.696 | S | S | * | * | trans | -75.7 | 109.3 | 167.6 | -82.6 | 180 | 175.5 | 155.4 | 0 | 110.4 | E691 R695 | E691-K693 PolarHBondContact O-N 3.19Å; E691-K693 WeakPolarHBondContact OE2-CE 3.38Å; E691-K693 IonicContact OE2-NZ 2.83Å; E691-K693 PolarHBondContact OE2-NZ 3.25Å; E691-K693 VanDerWaalsContact OE2-NZ 3.15Å; K693-R695 PolarHBondContact O-N 3.02Å | ||
| 694 | N | 30.5 | Very low | 40.8 | Very low | 161 Ų | 161 | 136.1 Ų | 136.1 | 86% | 0.861 | 71% | 0.713 | S | S | * | * | trans | 25.8 | 85 | 149 | -72.6 | -18.3 | 0 | 0 | 0 | 117.3 | R692 | R692-N694 PolarHBondContact O-N 2.98Š| ||
| 695 | R | 33.7 | Very low | 39.1 | Very low | 250 Ų | 250 | 137 Ų | 137 | 94% | 0.943 | 72% | 0.721 | S | S | * | * | trans | -133.5 | 98.9 | 147.5 | -78.1 | -167.3 | 176.7 | -175.4 | 0.1 | 109.3 | K693 R697 | K693-R695 PolarHBondContact O-N 3.02Å; R695-R697 PolarHBondContact O-N 3.03Å | ||
| 696 | G | 29.2 | Very low | 37.5 | Very low | 76 Ų | 76 | 134.3 Ų | 134.3 | 78% | 0.784 | 71% | 0.714 | S | S | * | * | trans | -64.8 | 119.4 | 172 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 697 | R | 31.2 | Very low | 36.4 | Very low | 237 Ų | 237 | 135.2 Ų | 135.2 | 89% | 0.894 | 71% | 0.711 | S | S | * | * | trans | -178.6 | 125.3 | 138.9 | -101.8 | 170.7 | -170.7 | -160.8 | 3.1 | 109.3 | R695 V699 | R695-R697 PolarHBondContact O-N 3.03Å; R697-V699 PolarHBondContact O-N 2.87Å | ||
| 698 | R | 28.6 | Very low | 35.1 | Very low | 244 Ų | 244 | 138.9 Ų | 138.9 | 92% | 0.921 | 74% | 0.738 | S | S | * | * | trans | -6.4 | 110.2 | 165.9 | -54.3 | 179.1 | -163.6 | -175.5 | 3.7 | 115.5 | ||||
| 699 | V | 30.6 | Very low | 34.7 | Very low | 114 Ų | 114 | 136.8 Ų | 136.8 | 69% | 0.691 | 73% | 0.731 | S | S | * | * | trans | -131.9 | 78.5 | 152.8 | -174.1 | 0 | 0 | 0 | 0 | 106.7 | R697 I702 | R697-V699 PolarHBondContact O-N 2.87Å; V699-I702 HydrophobicContact CG1-CD1 4.23Å; V699-I702 HydrophobicContact CG1-CG1 4.22Å | ||
| 700 | S | 27.8 | Very low | 34.8 | Very low | 87 Ų | 87 | 135.9 Ų | 135.9 | 61% | 0.608 | 72% | 0.719 | S | S | * | * | trans | -64.2 | 149.5 | 146 | 51.4 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 701 | D | 29.3 | Very low | 34.8 | Very low | 147 Ų | 147 | 139.3 Ų | 139.3 | 79% | 0.786 | 72% | 0.72 | S | S | * | * | trans | 86.7 | 41.7 | 164.8 | -41.7 | -44.7 | 0 | 0 | 0 | 119 | ||||
| 702 | I | 30.8 | Very low | 34.9 | Very low | 147 Ų | 147 | 138 Ų | 138 | 75% | 0.754 | 72% | 0.716 | S | S | * | * | trans | -128.3 | 91.3 | 152.7 | -54.3 | 179.7 | 0 | 0 | 0 | 110.7 | V699 | V699-I702 HydrophobicContact CG1-CD1 4.23Å; V699-I702 HydrophobicContact CG1-CG1 4.22Å | ||
| 703 | A | 27 | Very low | 35.7 | Very low | 75 Ų | 75 | 128.9 Ų | 128.9 | 62% | 0.62 | 69% | 0.685 | S | S | * | * | trans | 1.2 | 114.9 | 157.9 | 0 | 0 | 0 | 0 | 0 | 119.7 | S705 | A703-S705 VanDerWaalsContact C-N 3.29Å; A703-S705 PolarHBondContact O-N 3.41Å | ||
| 704 | A | 28.6 | Very low | 36.9 | Very low | 117 Ų | 117 | 121.8 Ų | 121.8 | 97% | 0.967 | 66% | 0.655 | S | S | * | * | S | Bend | 41.9 | 9.9 | 124.6 | 0 | 0 | 0 | 0 | 0 | 123.2 | |||
| 705 | S | 31.3 | Very low | 38.2 | Very low | 58 Ų | 58 | 116.7 Ų | 116.7 | 41% | 0.406 | 64% | 0.635 | S | S | . | * | trans | -149 | 8.7 | -177.8 | 67.3 | 0 | 0 | 0 | 0 | 117.4 | A703 Y707 | A703-S705 VanDerWaalsContact C-N 3.29Å; A703-S705 PolarHBondContact O-N 3.41Å; S705-Y707 PolarHBondContact O-N 2.72Å | ||
| 706 | A | 29.8 | Very low | 39.6 | Very low | 89 Ų | 89 | 107.9 Ų | 107.9 | 74% | 0.736 | 61% | 0.607 | S | S | * | * | trans | -82 | 83.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | C708 | A706-C708 PolarHBondContact O-N 3.21Å; A706-C708 VanDerWaalsContact O-N 3.09Å | ||
| 707 | Y | 36.3 | Very low | 41.3 | Very low | 139 Ų | 139 | 105.8 Ų | 105.8 | 55% | 0.545 | 58% | 0.577 | S | S | . | * | trans | -70.9 | 95.1 | 166.3 | -69.6 | -87 | 0 | 0 | 0 | 109.2 | S705 | S705-Y707 PolarHBondContact O-N 2.72Š| ||
| 708 | C | 38.9 | Very low | 42.9 | Very low | 106 Ų | 106 | 99.4 Ų | 99.4 | 72% | 0.716 | 56% | 0.556 | S | S | * | * | trans | -77.4 | 131.8 | 160.7 | -157.8 | 0 | 0 | 0 | 0 | 107 | A706 Q710 | A706-C708 PolarHBondContact O-N 3.21Å; A706-C708 VanDerWaalsContact O-N 3.09Å; C708-Q710 PolarHBondContact O-N 2.98Å; C708-Q710 VanDerWaalsContact O-N 3.15Å | ||
| 709 | L | 44.7 | Very low | 44.6 | Very low | 98 Ų | 98 | 94.8 Ų | 94.8 | 51% | 0.513 | 54% | 0.542 | S | S | . | . | trans | -35.4 | 114.6 | -175.2 | -75.2 | 158.1 | 0 | 0 | 0 | 112.5 | E713 | L709-E713 WeakPolarHBondContact CA-OE2 3.34Å; L709-E713 HydrophobicContact CD2-CB 4.18Å | ||
| 710 | Q | 53.9 | Low | 46.2 | Very low | 62 Ų | 62 | 89.7 Ų | 89.7 | 29% | 0.29 | 51% | 0.511 | S | S | . | . | trans | -71.7 | 149.7 | 175.2 | -76.3 | 179.8 | -12 | 0 | 0 | 109.5 | L125 C708 L712 E713 V714 | L125-Q710 VanDerWaalsContact CD1-OE1 3.32Å; C708-Q710 PolarHBondContact O-N 2.98Å; C708-Q710 VanDerWaalsContact O-N 3.15Å; Q710-L712 PolarHBondContact O-N 3.41Å; Q710-E713 PolarHBondContact N-OE2 2.88Å; Q710-E713 VanDerWaalsContact N-OE2 3.07Å; Q710-E713 WeakPolarHBondContact O-CB 3.38Å; Q710-E713 PolarHBondContact O-N 3.41Å; Q710-V714 PolarHBondContact O-N 3.3Å | ||
| 711 | E | 48.1 | Very low | 48 | Very low | 162 Ų | 162 | 86.4 Ų | 86.4 | 76% | 0.757 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -50.8 | -28.7 | 177 | -69.6 | -177.2 | 155.8 | 0 | 0 | 113 | V714 A715 | E711-V714 PolarHBondContact O-N 2.93Å; E711-A715 WeakPolarHBondContact O-CB 3.43Å; E711-A715 PolarHBondContact O-N 3.46Å |
| 712 | L | 46.4 | Very low | 49.6 | Very low | 116 Ų | 116 | 85.5 Ų | 85.5 | 61% | 0.607 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -65.7 | -38.4 | 176 | -130.7 | 94.3 | 0 | 0 | 0 | 113.4 | L125 Q710 A715 L716 | L125-L712 HydrophobicContact CD2-CD1 4.22Å; Q710-L712 PolarHBondContact O-N 3.41Å; L712-A715 PolarHBondContact O-N 3.47Å; L712-L716 WeakPolarHBondContact O-CB 3.16Å; L712-L716 PolarHBondContact O-N 3.07Å |
| 713 | E | 58.3 | Low | 51 | Low | 60 Ų | 60 | 82.1 Ų | 82.1 | 28% | 0.28 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -72.4 | -36.9 | 179.4 | -63.3 | 175.1 | 142.7 | 0 | 0 | 110.2 | L709 Q710 L716 M717 | L709-E713 WeakPolarHBondContact CA-OE2 3.34Å; L709-E713 HydrophobicContact CD2-CB 4.18Å; Q710-E713 PolarHBondContact N-OE2 2.88Å; Q710-E713 VanDerWaalsContact N-OE2 3.07Å; Q710-E713 WeakPolarHBondContact O-CB 3.38Å; Q710-E713 PolarHBondContact O-N 3.41Å; E713-L716 PolarHBondContact O-N 3.27Å; E713-M717 PolarHBondContact O-N 3.2Å |
| 714 | V | 59.5 | Low | 52.6 | Low | 12 Ų | 12 | 79.4 Ų | 79.4 | 7% | 0.073 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -63.3 | -42.9 | 170.2 | 170.6 | 0 | 0 | 0 | 0 | 111.1 | I687 Q710 E711 K718 | I687-V714 HydrophobicContact CG2-CB 4.43Å; I687-V714 HydrophobicContact CG2-CG1 3.77Å; I687-V714 HydrophobicContact CG2-CG2 4.36Å; Q710-V714 PolarHBondContact O-N 3.3Å; E711-V714 PolarHBondContact O-N 2.93Å; V714-K718 HydrophobicContact CG1-CD 4.02Å; V714-K718 HydrophobicContact CG1-CG 4.42Å; V714-K718 WeakPolarHBondContact O-CB 3.38Å; V714-K718 VanDerWaalsContact O-CG 3.24Å; V714-K718 WeakPolarHBondContact O-CG 3.46Å; V714-K718 PolarHBondContact O-N 3.05Å |
| 715 | A | 58 | Low | 54.1 | Low | 55 Ų | 55 | 81.2 Ų | 81.2 | 46% | 0.455 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -65.3 | -42.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | E711 L712 K718 K719 | E711-A715 WeakPolarHBondContact O-CB 3.43Å; E711-A715 PolarHBondContact O-N 3.46Å; L712-A715 PolarHBondContact O-N 3.47Å; A715-K718 PolarHBondContact O-N 2.81Å; A715-K719 WeakPolarHBondContact O-CB 3.44Å; A715-K719 PolarHBondContact O-N 2.91Å |
| 716 | L | 62.6 | Low | 55.2 | Low | 65 Ų | 65 | 81.9 Ų | 81.9 | 34% | 0.34 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -63.2 | -46.7 | 175.8 | -178.1 | 64.1 | 0 | 0 | 0 | 111.5 | K616 L645 L712 E713 K719 T720 | K616-L716 HydrophobicContact CB-CD2 4.24Å; L645-L716 HydrophobicContact CD2-CD2 4.21Å; L645-L716 HydrophobicContact CD2-CG 4.26Å; L712-L716 WeakPolarHBondContact O-CB 3.16Å; L712-L716 PolarHBondContact O-N 3.07Å; E713-L716 PolarHBondContact O-N 3.27Å; L716-K719 PolarHBondContact O-N 3.37Å; L716-T720 WeakPolarHBondContact O-CB 3.31Å; L716-T720 PolarHBondContact O-N 3.38Å; L716-T720 PolarHBondContact O-OG1 3.18Å |
| 717 | M | 65 | Low | 56.2 | Low | 32 Ų | 32 | 80.6 Ų | 80.6 | 16% | 0.158 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -61.7 | -44.2 | 174.8 | -80.2 | -179.4 | 61.4 | 0 | 0 | 111.7 | L645 I687 E713 K719 T720 C721 | L645-M717 HydrophobicContact CD1-CG 3.85Å; L645-M717 HydrophobicContact CD2-CG 3.66Å; L645-M717 HydrophobicContact CG-CG 4.4Å; I687-M717 HydrophobicContact CD1-CB 3.79Å; I687-M717 HydrophobicContact CD1-CE 4.18Å; E713-M717 PolarHBondContact O-N 3.2Å; M717-K719 PolarHBondContact O-N 2.73Å; M717-T720 PolarHBondContact O-N 2.77Å; M717-C721 PolarHBondContact O-N 3.27Å |
| 718 | K | 65.4 | Low | 57.1 | Low | 103 Ų | 103 | 79.1 Ų | 79.1 | 45% | 0.448 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -58.7 | -47.2 | 176.2 | -79.1 | 177.5 | 178 | -176.6 | 0 | 112.2 | I687 V714 A715 T720 C721 Q722 | I687-K718 HydrophobicContact CB-CG 4.18Å; I687-K718 HydrophobicContact CD1-CG 3.94Å; I687-K718 WeakPolarHBondContact O-CE 3.21Å; V714-K718 HydrophobicContact CG1-CD 4.02Å; V714-K718 HydrophobicContact CG1-CG 4.42Å; V714-K718 WeakPolarHBondContact O-CB 3.38Å; V714-K718 VanDerWaalsContact O-CG 3.24Å; V714-K718 WeakPolarHBondContact O-CG 3.46Å; V714-K718 PolarHBondContact O-N 3.05Å; A715-K718 PolarHBondContact O-N 2.81Å; K718-T720 VanDerWaalsContact C-N 3.28Å; K718-T720 PolarHBondContact O-N 3.2Å; K718-C721 PolarHBondContact O-N 2.98Å; K718-Q722 WeakPolarHBondContact O-CB 3.31Å; K718-Q722 PolarHBondContact O-N 3.25Å |
| 719 | K | 64.8 | Low | 57.8 | Low | 147 Ų | 147 | 80.2 Ų | 80.2 | 64% | 0.639 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -61 | -39.4 | 177.4 | -169.7 | -179.7 | 179.3 | -172.8 | 0 | 111.4 | A715 L716 M717 Q722 R723 | A715-K719 WeakPolarHBondContact O-CB 3.44Å; A715-K719 PolarHBondContact O-N 2.91Å; L716-K719 PolarHBondContact O-N 3.37Å; M717-K719 PolarHBondContact O-N 2.73Å; K719-Q722 PolarHBondContact O-N 3.04Å; K719-R723 PolarHBondContact O-N 3.06Å |
| 720 | T | 64.8 | Low | 58 | Low | 6 Ų | 6 | 80.1 Ų | 80.1 | 4% | 0.037 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -69.9 | -44.7 | 179.4 | -49.9 | 0 | 0 | 0 | 0 | 111.9 | L615 L681 L716 M717 K718 Q722 R723 Q724 | L615-T720 HydrophobicContact CD1-CG2 3.36Å; L615-T720 WeakPolarHBondContact CD1-OG1 3.43Å; L681-T720 HydrophobicContact CD1-CG2 3.52Å; L716-T720 WeakPolarHBondContact O-CB 3.31Å; L716-T720 PolarHBondContact O-N 3.38Å; L716-T720 PolarHBondContact O-OG1 3.18Å; M717-T720 PolarHBondContact O-N 2.77Å; K718-T720 VanDerWaalsContact C-N 3.28Å; K718-T720 PolarHBondContact O-N 3.2Å; T720-Q722 VanDerWaalsContact C-N 3.31Å; T720-Q722 PolarHBondContact O-N 2.77Å; T720-R723 WeakPolarHBondContact O-CB 3.18Å; T720-R723 PolarHBondContact O-N 2.6Å; T720-Q724 WeakPolarHBondContact O-CG 3Å; T720-Q724 PolarHBondContact O-N 2.96Å |
| 721 | C | 64.6 | Low | 57.5 | Low | 19 Ų | 19 | 80.8 Ų | 80.8 | 13% | 0.128 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -59.5 | -41.2 | 173.1 | -75.9 | 0 | 0 | 0 | 0 | 111.9 | M717 K718 R723 Q724 W725 | M717-C721 PolarHBondContact O-N 3.27Å; K718-C721 PolarHBondContact O-N 2.98Å; C721-R723 PolarHBondContact O-N 2.9Å; C721-Q724 WeakPolarHBondContact O-CB 3.33Å; C721-Q724 PolarHBondContact O-N 3.45Å; C721-W725 WeakPolarHBondContact O-CB 3.4Å; C721-W725 PolarHBondContact O-N 3.3Å |
| 722 | Q | 63.9 | Low | 57.3 | Low | 128 Ų | 128 | 78.4 Ų | 78.4 | 60% | 0.598 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -63.7 | -41 | 176.2 | -172 | 174.6 | 4.3 | 0 | 0 | 111.9 | K718 K719 T720 W725 L726 | K718-Q722 WeakPolarHBondContact O-CB 3.31Å; K718-Q722 PolarHBondContact O-N 3.25Å; K719-Q722 PolarHBondContact O-N 3.04Å; T720-Q722 VanDerWaalsContact C-N 3.31Å; T720-Q722 PolarHBondContact O-N 2.77Å; Q722-W725 PolarHBondContact O-N 3.1Å; Q722-L726 HydrophobicContact CG-CD1 4.32Å; Q722-L726 WeakPolarHBondContact O-CG 3.41Å; Q722-L726 PolarHBondContact O-N 3.15Å |
| 723 | R | 59.3 | Low | 57.2 | Low | 76 Ų | 76 | 77.2 Ų | 77.2 | 29% | 0.287 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -61.7 | -46.1 | 174.8 | -174.1 | 177.9 | 66.2 | 165.8 | 6.2 | 111.9 | E647 K719 T720 C721 W725 L726 N727 | E647-R723 VanDerWaalsContact CB-NH2 3.35Å; E647-R723 IonicContact OE1-CZ 3.3Å; E647-R723 IonicContact OE1-NH1 3.17Å; E647-R723 PolarHBondContact OE1-NH1 2.8Å; E647-R723 VanDerWaalsContact OE1-NH1 3.14Å; E647-R723 IonicContact OE1-NH2 2.69Å; E647-R723 PolarHBondContact OE1-NH2 3.31Å; E647-R723 IonicContact OE2-NH2 3.02Å; K719-R723 PolarHBondContact O-N 3.06Å; T720-R723 WeakPolarHBondContact O-CB 3.18Å; T720-R723 PolarHBondContact O-N 2.6Å; C721-R723 PolarHBondContact O-N 2.9Å; R723-W725 VanDerWaalsContact C-N 3.35Å; R723-W725 PolarHBondContact O-N 2.9Å; R723-L726 PolarHBondContact O-N 3.28Å; R723-N727 VanDerWaalsContact O-CG 3.23Å; R723-N727 PolarHBondContact O-N 2.98Å; R723-N727 PolarHBondContact O-OD1 2.86Å |
| 724 | Q | 61.5 | Low | 56.5 | Low | 17 Ų | 17 | 76 Ų | 76 | 8% | 0.079 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -58.6 | -44.7 | 175.2 | -80.1 | -104.2 | -58.2 | 0 | 0 | 112.4 | E647 N648 L681 T720 C721 L726 N727 I728 | E647-Q724 WeakPolarHBondContact O-CG 3.48Å; E647-Q724 PolarHBondContact O-NE2 3.07Å; N648-Q724 VanDerWaalsContact CG-NE2 3.34Å; N648-Q724 PolarHBondContact OD1-NE2 3.17Å; L681-Q724 HydrophobicContact CB-CG 4.28Å; T720-Q724 WeakPolarHBondContact O-CG 3Å; T720-Q724 PolarHBondContact O-N 2.96Å; C721-Q724 WeakPolarHBondContact O-CB 3.33Å; C721-Q724 PolarHBondContact O-N 3.45Å; Q724-L726 VanDerWaalsContact C-N 3.33Å; Q724-L726 PolarHBondContact O-N 3.01Å; Q724-N727 PolarHBondContact O-N 3.34Å; Q724-I728 WeakPolarHBondContact O-CG1 3.42Å; Q724-I728 PolarHBondContact O-N 3.5Å; Q724-I728 VanDerWaalsContact O-N 3.09Å |
| 725 | W | 58.6 | Low | 55.6 | Low | 155 Ų | 155 | 76.8 Ų | 76.8 | 59% | 0.587 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -62.7 | -40.6 | 178.4 | -171.3 | 85.3 | 0 | 0 | 0 | 112.1 | C721 Q722 R723 Q729 | C721-W725 WeakPolarHBondContact O-CB 3.4Å; C721-W725 PolarHBondContact O-N 3.3Å; Q722-W725 PolarHBondContact O-N 3.1Å; R723-W725 VanDerWaalsContact C-N 3.35Å; R723-W725 PolarHBondContact O-N 2.9Å; W725-Q729 PolarHBondContact O-N 3.33Å |
| 726 | L | 55.3 | Low | 54.8 | Low | 73 Ų | 73 | 77.6 Ų | 77.6 | 38% | 0.382 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -64.7 | -43.9 | 173.9 | -71.6 | 162.9 | 0 | 0 | 0 | 112 | Q722 R723 Q724 I728 Q729 Q730 | Q722-L726 HydrophobicContact CG-CD1 4.32Å; Q722-L726 WeakPolarHBondContact O-CG 3.41Å; Q722-L726 PolarHBondContact O-N 3.15Å; R723-L726 PolarHBondContact O-N 3.28Å; Q724-L726 VanDerWaalsContact C-N 3.33Å; Q724-L726 PolarHBondContact O-N 3.01Å; L726-I728 VanDerWaalsContact C-N 3.32Å; L726-I728 PolarHBondContact O-N 3.01Å; L726-Q729 PolarHBondContact O-N 3.48Å; L726-Q729 VanDerWaalsContact O-N 3.1Å; L726-Q730 PolarHBondContact O-N 3.49Å |
| 727 | N | 50.4 | Low | 54.3 | Low | 62 Ų | 62 | 80.7 Ų | 80.7 | 33% | 0.332 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -59.5 | -38.9 | 178.4 | -71.9 | -4.9 | 0 | 0 | 0 | 112.7 | R723 Q724 Q729 Q730 A731 | R723-N727 VanDerWaalsContact O-CG 3.23Å; R723-N727 PolarHBondContact O-N 2.98Å; R723-N727 PolarHBondContact O-OD1 2.86Å; Q724-N727 PolarHBondContact O-N 3.34Å; N727-Q729 VanDerWaalsContact C-N 3.27Å; N727-Q729 PolarHBondContact O-N 2.89Å; N727-Q730 PolarHBondContact O-N 3.28Å; N727-A731 PolarHBondContact O-N 3.41Å |
| 728 | I | 55.3 | Low | 53.9 | Low | 107 Ų | 107 | 81 Ų | 81 | 55% | 0.549 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -64.6 | -32.7 | 177.9 | -69 | 167.2 | 0 | 0 | 0 | 111.4 | T682 Q724 L726 | T682-I728 HydrophobicContact CG2-CD1 3.72Å; Q724-I728 WeakPolarHBondContact O-CG1 3.42Å; Q724-I728 PolarHBondContact O-N 3.5Å; Q724-I728 VanDerWaalsContact O-N 3.09Å; L726-I728 VanDerWaalsContact C-N 3.32Å; L726-I728 PolarHBondContact O-N 3.01Å |
| 729 | Q | 53.1 | Low | 53.8 | Low | 129 Ų | 129 | 84.8 Ų | 84.8 | 60% | 0.603 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -79.6 | -15 | -179 | -66.4 | -147.5 | -16.7 | 0 | 0 | 114 | W725 L726 N727 | W725-Q729 PolarHBondContact O-N 3.33Å; L726-Q729 PolarHBondContact O-N 3.48Å; L726-Q729 VanDerWaalsContact O-N 3.1Å; N727-Q729 VanDerWaalsContact C-N 3.27Å; N727-Q729 PolarHBondContact O-N 2.89Å |
| 730 | Q | 49.4 | Very low | 54.1 | Low | 97 Ų | 97 | 78.7 Ų | 78.7 | 45% | 0.453 | 41% | 0.405 | S | S | . | . | trans | -135 | 28.2 | -166.1 | -66.4 | 179.8 | -31.7 | 0 | 0 | 114 | L726 N727 S732 D733 | L726-Q730 PolarHBondContact O-N 3.49Å; N727-Q730 PolarHBondContact O-N 3.28Å; Q730-S732 PolarHBondContact O-N 3.41Å; Q730-D733 PolarHBondContact O-N 3.45Å | ||
| 731 | A | 43.9 | Very low | 54.8 | Low | 76 Ų | 76 | 81.2 Ų | 81.2 | 63% | 0.628 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | 7 | -164.6 | 0 | 0 | 0 | 0 | 0 | 119.2 | N727 | N727-A731 PolarHBondContact O-N 3.41Š|
| 732 | S | 43.5 | Very low | 55.7 | Low | 112 Ų | 112 | 81 Ų | 81 | 78% | 0.783 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.9 | -7 | -179.4 | 52.8 | 0 | 0 | 0 | 0 | 115.2 | Q730 | Q730-S732 PolarHBondContact O-N 3.41Š|
| 733 | D | 43.3 | Very low | 56.6 | Low | 90 Ų | 90 | 77.9 Ų | 77.9 | 48% | 0.481 | 40% | 0.403 | S | S | . | . | trans | -103 | 113.1 | -170.4 | -108.9 | -23 | 0 | 0 | 0 | 113.8 | Q730 S735 Q736 | Q730-D733 PolarHBondContact O-N 3.45Å; D733-S735 PolarHBondContact O-N 2.84Å; D733-S735 VanDerWaalsContact O-N 3.09Å; D733-Q736 PolarHBondContact O-N 3.25Å | ||
| 734 | C | 43.6 | Very low | 57.8 | Low | 35 Ų | 35 | 74.7 Ų | 74.7 | 24% | 0.236 | 39% | 0.391 | C | S | . | . | G | 310 helix | trans | -60.2 | -16.6 | 171.7 | -82.2 | 0 | 0 | 0 | 0 | 113.1 | Q736 L737 | C734-Q736 PolarHBondContact O-N 3.3Å; C734-L737 PolarHBondContact O-N 3.04Å |
| 735 | S | 41.3 | Very low | 59 | Low | 28 Ų | 28 | 74 Ų | 74 | 20% | 0.196 | 39% | 0.388 | C | S | . | . | G | 310 helix | trans | -63.9 | -21.6 | -179.1 | 71.1 | 0 | 0 | 0 | 0 | 113.4 | D733 | D733-S735 PolarHBondContact O-N 2.84Å; D733-S735 VanDerWaalsContact O-N 3.09Å |
| 736 | Q | 41.9 | Very low | 60.6 | Low | 73 Ų | 73 | 67.4 Ų | 67.4 | 34% | 0.341 | 36% | 0.364 | S | S | . | . | G | 310 helix | trans | -92.3 | -16.4 | -178.3 | -61.7 | -167.5 | -8.9 | 0 | 0 | 114.4 | D733 C734 F738 | D733-Q736 PolarHBondContact O-N 3.25Å; C734-Q736 PolarHBondContact O-N 3.3Å; Q736-F738 PolarHBondContact O-N 3.2Å |
| 737 | L | 50.3 | Low | 62.2 | Low | 129 Ų | 129 | 64.2 Ų | 64.2 | 68% | 0.675 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -22.6 | 179.3 | -73.2 | 166.3 | 0 | 0 | 0 | 112.3 | C734 | C734-L737 PolarHBondContact O-N 3.04Š|
| 738 | F | 58.3 | Low | 64 | Low | 38 Ų | 38 | 63.1 Ų | 63.1 | 17% | 0.167 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -128.9 | 114.8 | 179.7 | -51.5 | -76.4 | 0 | 0 | 0 | 106.2 | V377 L420 V421 Q736 I740 | V377-F738 HydrophobicContact CG1-CD2 3.97Å; V377-F738 HydrophobicContact CG1-CE2 4.39Å; L420-F738 HydrophobicContact CD1-CD1 4.44Å; L420-F738 HydrophobicContact CG-CD1 4.36Å; V421-F738 HydrophobicContact CB-CE1 4.48Å; V421-F738 HydrophobicContact CB-CZ 4.1Å; V421-F738 HydrophobicContact CG1-CZ 3.95Å; V421-F738 HydrophobicContact CG2-CE1 4.4Å; V421-F738 HydrophobicContact CG2-CE2 4.3Å; V421-F738 HydrophobicContact CG2-CZ 3.9Å; Q736-F738 PolarHBondContact O-N 3.2Å; F738-I740 HydrophobicContact CB-CD1 3.66Å; F738-I740 HydrophobicContact CB-CG1 3.71Å; F738-I740 HydrophobicContact CG-CD1 4.49Å; F738-I740 PolarHBondContact O-N 2.9Å |
| 739 | E | 61.7 | Low | 65.7 | Low | 183 Ų | 183 | 58 Ų | 58 | 86% | 0.855 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | 72.2 | 174.7 | -67.8 | -179 | 169.5 | 0 | 0 | 110.2 | ||
| 740 | I | 72.8 | Confident | 67.6 | Low | 20 Ų | 20 | 52 Ų | 52 | 10% | 0.103 | 29% | 0.287 | C | S | . | . | trans | -96.1 | 109.6 | -177.4 | -64.3 | 170.4 | 0 | 0 | 0 | 107.7 | R374 V377 H378 L420 F738 A742 Q745 | R374-I740 HydrophobicContact CB-CD1 4.19Å; R374-I740 HydrophobicContact CB-CG1 4.43Å; R374-I740 HydrophobicContact CB-CG2 3.84Å; R374-I740 HydrophobicContact CG-CD1 4.28Å; R374-I740 HydrophobicContact CG-CG1 4.35Å; R374-I740 HydrophobicContact CG-CG2 4.5Å; V377-I740 HydrophobicContact CB-CD1 4.22Å; V377-I740 HydrophobicContact CG1-CD1 3.92Å; H378-I740 HydrophobicContact CB-CG2 4.13Å; L420-I740 HydrophobicContact CD2-CD1 4.4Å; F738-I740 HydrophobicContact CB-CD1 3.66Å; F738-I740 HydrophobicContact CB-CG1 3.71Å; F738-I740 HydrophobicContact CG-CD1 4.49Å; F738-I740 PolarHBondContact O-N 2.9Å; I740-A742 PolarHBondContact O-N 3.09Å; I740-Q745 HydrophobicContact CG2-CG 4.02Å | ||
| 741 | D | 78.4 | Confident | 69.3 | Low | 58 Ų | 58 | 49.2 Ų | 49.2 | 31% | 0.31 | 28% | 0.275 | S | S | . | . | trans | -72.7 | 92.8 | 165.8 | -173.2 | -27.8 | 0 | 0 | 0 | 108.8 | E743 Q744 Q745 | D741-E743 VanDerWaalsContact C-N 3.27Å; D741-E743 PolarHBondContact O-N 3.29Å; D741-E743 PolarHBondContact OD1-N 3.46Å; D741-Q744 HydrophobicContact CB-CB 3.91Å; D741-Q744 VanDerWaalsContact CG-CB 3.45Å; D741-Q744 PolarHBondContact O-N 3.12Å; D741-Q744 WeakPolarHBondContact OD1-CB 3.23Å; D741-Q744 PolarHBondContact OD1-N 3.46Å; D741-Q745 VanDerWaalsContact O-CG 3.28Å; D741-Q745 WeakPolarHBondContact O-CG 2.95Å; D741-Q745 PolarHBondContact O-N 3.18Å; D741-Q745 PolarHBondContact O-NE2 2.7Å | ||
| 742 | A | 83 | Confident | 71.4 | Confident | 14 Ų | 14 | 46.1 Ų | 46.1 | 12% | 0.116 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.8 | -34.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | H378 I740 Q745 L746 | H378-A742 VanDerWaalsContact CD2-CB 3.48Å; H378-A742 WeakPolarHBondContact CD2-CB 3.38Å; I740-A742 PolarHBondContact O-N 3.09Å; A742-Q745 PolarHBondContact O-N 2.96Å; A742-L746 WeakPolarHBondContact O-CB 3.26Å; A742-L746 VanDerWaalsContact O-CG 3.29Å; A742-L746 WeakPolarHBondContact O-CG 3.4Å; A742-L746 PolarHBondContact O-N 2.94Å |
| 743 | E | 84.5 | Confident | 73.7 | Confident | 64 Ų | 64 | 40.8 Ų | 40.8 | 30% | 0.299 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -66.1 | -45.4 | -179.8 | -57.5 | 166.8 | 134.2 | 0 | 0 | 109.7 | V327 S330 Y333 D741 Q745 L746 E747 | V327-E743 HydrophobicContact CG1-CB 3.5Å; V327-E743 VanDerWaalsContact CG1-CB 3.5Å; S330-E743 WeakPolarHBondContact CA-OE1 2.98Å; S330-E743 WeakPolarHBondContact CB-OE1 3.49Å; S330-E743 PolarHBondContact N-OE1 3.04Å; S330-E743 WeakPolarHBondContact OG-CG 3.41Å; S330-E743 PolarHBondContact OG-OE1 2.9Å; Y333-E743 HydrophobicContact CE2-CB 4.35Å; D741-E743 VanDerWaalsContact C-N 3.27Å; D741-E743 PolarHBondContact O-N 3.29Å; D741-E743 PolarHBondContact OD1-N 3.46Å; E743-Q745 PolarHBondContact O-N 3.36Å; E743-L746 PolarHBondContact O-N 3.43Å; E743-E747 WeakPolarHBondContact O-CB 3.5Å; E743-E747 PolarHBondContact O-N 3.47Å |
| 744 | Q | 83.2 | Confident | 75.9 | Confident | 9 Ų | 9 | 38.1 Ų | 38.1 | 4% | 0.042 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.9 | -40.8 | 173.5 | -173.6 | -162 | 26.1 | 0 | 0 | 112.2 | L2 E60 V327 D741 L746 E747 N748 | L2-Q744 HydrophobicContact CD1-CG 4.26Å; E60-Q744 PolarHBondContact OE1-NE2 3.02Å; E60-Q744 PolarHBondContact OE2-NE2 3.21Å; E60-Q744 PolarHBondContact OE2-OE1 2.72Å; V327-Q744 HydrophobicContact CG2-CB 4.45Å; D741-Q744 HydrophobicContact CB-CB 3.91Å; D741-Q744 VanDerWaalsContact CG-CB 3.45Å; D741-Q744 PolarHBondContact O-N 3.12Å; D741-Q744 WeakPolarHBondContact OD1-CB 3.23Å; D741-Q744 PolarHBondContact OD1-N 3.46Å; Q744-L746 VanDerWaalsContact C-N 3.35Å; Q744-E747 PolarHBondContact O-N 3.31Å; Q744-N748 VanDerWaalsContact O-CG 3.29Å; Q744-N748 PolarHBondContact O-N 2.92Å; Q744-N748 PolarHBondContact O-ND2 3.46Å |
| 745 | Q | 88 | Confident | 77.9 | Confident | 3 Ų | 3 | 42.7 Ų | 42.7 | 1% | 0.014 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.3 | -42.1 | 177.4 | -58.5 | -34.1 | -72.8 | 0 | 0 | 111.3 | P371 R374 T375 I740 D741 A742 E743 N748 I749 | P371-Q745 HydrophobicContact CB-CB 4.4Å; R374-Q745 HydrophobicContact CB-CG 3.76Å; R374-Q745 VanDerWaalsContact CD-OE1 3.3Å; T375-Q745 WeakPolarHBondContact OG1-CB 3.49Å; I740-Q745 HydrophobicContact CG2-CG 4.02Å; D741-Q745 VanDerWaalsContact O-CG 3.28Å; D741-Q745 WeakPolarHBondContact O-CG 2.95Å; D741-Q745 PolarHBondContact O-N 3.18Å; D741-Q745 PolarHBondContact O-NE2 2.7Å; A742-Q745 PolarHBondContact O-N 2.96Å; E743-Q745 PolarHBondContact O-N 3.36Å; Q745-N748 PolarHBondContact O-N 3.43Å; Q745-I749 WeakPolarHBondContact O-CG1 3.42Å; Q745-I749 PolarHBondContact O-N 3.37Å |
| 746 | L | 92 | Very high | 80.1 | Confident | 15 Ų | 15 | 43.3 Ų | 43.3 | 8% | 0.079 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.8 | -38.1 | 176.5 | -71.6 | 166.6 | 0 | 0 | 0 | 111.8 | Y333 L336 W337 L340 T375 A742 E743 Q744 I749 H750 | Y333-L746 HydrophobicContact CD1-CB 3.99Å; Y333-L746 HydrophobicContact CG-CB 3.96Å; Y333-L746 HydrophobicContact CG-CD1 4.39Å; L336-L746 HydrophobicContact CD2-CB 4.46Å; L336-L746 HydrophobicContact CD2-CD2 4.32Å; L336-L746 WeakPolarHBondContact CD2-O 3.37Å; L336-L746 HydrophobicContact CG-CD2 4.31Å; W337-L746 HydrophobicContact CB-CD1 4.42Å; W337-L746 HydrophobicContact CB-CD2 4.44Å; W337-L746 HydrophobicContact CE3-CD2 4.22Å; L340-L746 HydrophobicContact CD1-CD2 4.04Å; T375-L746 HydrophobicContact CG2-CD2 3.82Å; T375-L746 HydrophobicContact CG2-CG 4.18Å; A742-L746 WeakPolarHBondContact O-CB 3.26Å; A742-L746 VanDerWaalsContact O-CG 3.29Å; A742-L746 WeakPolarHBondContact O-CG 3.4Å; A742-L746 PolarHBondContact O-N 2.94Å; E743-L746 PolarHBondContact O-N 3.43Å; Q744-L746 VanDerWaalsContact C-N 3.35Å; L746-I749 PolarHBondContact O-N 2.68Å; L746-H750 WeakPolarHBondContact O-CB 3.42Å; L746-H750 PolarHBondContact O-N 3.45Å |
| 747 | E | 88.9 | Confident | 82.4 | Confident | 7 Ų | 7 | 40.7 Ų | 40.7 | 3% | 0.033 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.6 | -44.3 | 172.5 | -177.6 | 58.7 | -162.3 | 0 | 0 | 111.6 | V327 Y333 E743 Q744 I749 H750 L751 H811 | V327-E747 HydrophobicContact CG1-CB 4.45Å; V327-E747 HydrophobicContact CG2-CB 4.25Å; V327-E747 HydrophobicContact CG2-CG 4.25Å; Y333-E747 HydrophobicContact CE1-CB 4.24Å; Y333-E747 VanDerWaalsContact CE1-OE2 3.23Å; Y333-E747 WeakPolarHBondContact CE1-OE2 3.43Å; Y333-E747 VanDerWaalsContact CZ-OE2 3.28Å; Y333-E747 PolarHBondContact OH-OE2 3.22Å; E743-E747 WeakPolarHBondContact O-CB 3.5Å; E743-E747 PolarHBondContact O-N 3.47Å; Q744-E747 PolarHBondContact O-N 3.31Å; E747-I749 VanDerWaalsContact C-N 3.27Å; E747-I749 PolarHBondContact O-N 2.94Å; E747-H750 WeakPolarHBondContact O-CB 3.36Å; E747-H750 PolarHBondContact O-N 2.86Å; E747-H750 VanDerWaalsContact O-N 3.15Å; E747-H750 IonicContact OE1-CD2 3.91Å; E747-H750 IonicContact OE2-CD2 2.65Å; E747-L751 HydrophobicContact CG-CD1 4.14Å; E747-L751 HydrophobicContact CG-CG 4.33Å; E747-L751 WeakPolarHBondContact O-CB 3.27Å; E747-L751 WeakPolarHBondContact O-CG 3.49Å; E747-L751 PolarHBondContact O-N 3.45Å; E747-L751 WeakPolarHBondContact OE1-CG 3.03Å; E747-H811 IonicContact OE1-CE1 2.97Å; E747-H811 IonicContact OE1-NE2 3.83Å; E747-H811 PolarHBondContact OE1-NE2 2.69Å; E747-H811 IonicContact OE2-CE1 2.8Å; E747-H811 PolarHBondContact OE2-CE1 3.27Å; E747-H811 IonicContact OE2-NE2 2.67Å; E747-H811 PolarHBondContact OE2-NE2 2.61Å |
| 748 | N | 87.2 | Confident | 84.2 | Confident | 39 Ų | 39 | 39.9 Ų | 39.9 | 21% | 0.209 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.3 | -38.2 | 176.1 | -74.2 | -29.6 | 0 | 0 | 0 | 112.3 | P371 Q744 Q745 T752 | P371-N748 HydrophobicContact CB-CB 4.28Å; P371-N748 HydrophobicContact CG-CB 4.03Å; Q744-N748 VanDerWaalsContact O-CG 3.29Å; Q744-N748 PolarHBondContact O-N 2.92Å; Q744-N748 PolarHBondContact O-ND2 3.46Å; Q745-N748 PolarHBondContact O-N 3.43Å; N748-T752 PolarHBondContact O-N 3.44Å; N748-T752 PolarHBondContact O-OG1 3.43Å |
| 749 | I | 92 | Very high | 85.6 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65.4 | -49.7 | 173.5 | -67 | 162.7 | 0 | 0 | 0 | 109.7 | L336 L340 I368 P371 L372 Q745 L746 E747 L751 T752 L753 | L336-I749 HydrophobicContact CD1-CG2 4.28Å; L336-I749 HydrophobicContact CD2-CB 4.47Å; L336-I749 HydrophobicContact CD2-CG2 4.21Å; L340-I749 HydrophobicContact CD1-CD1 3.95Å; L340-I749 HydrophobicContact CD1-CG2 4.39Å; I368-I749 HydrophobicContact CD1-CB 4.41Å; I368-I749 HydrophobicContact CD1-CG1 4.29Å; I368-I749 HydrophobicContact CD1-CG2 4.13Å; I368-I749 HydrophobicContact CG1-CG1 4Å; P371-I749 HydrophobicContact CB-CD1 4.3Å; P371-I749 HydrophobicContact CB-CG1 3.91Å; L372-I749 HydrophobicContact CD2-CD1 3.74Å; L372-I749 HydrophobicContact CD2-CG1 4.25Å; L372-I749 HydrophobicContact CG-CD1 4.24Å; L372-I749 HydrophobicContact CG-CG1 4.46Å; Q745-I749 WeakPolarHBondContact O-CG1 3.42Å; Q745-I749 PolarHBondContact O-N 3.37Å; L746-I749 PolarHBondContact O-N 2.68Å; E747-I749 VanDerWaalsContact C-N 3.27Å; E747-I749 PolarHBondContact O-N 2.94Å; I749-L751 PolarHBondContact O-N 3.14Å; I749-T752 WeakPolarHBondContact O-CB 3.5Å; I749-T752 PolarHBondContact O-N 3Å; I749-T752 VanDerWaalsContact O-N 3.09Å; I749-L753 HydrophobicContact CG2-CD1 4.31Å; I749-L753 HydrophobicContact CG2-CG 4.5Å; I749-L753 WeakPolarHBondContact O-CG 3.2Å; I749-L753 PolarHBondContact O-N 3.19Å |
| 750 | H | 91.4 | Very high | 87 | Confident | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -55.6 | -49.3 | 178 | 171.3 | 54.7 | 0 | 0 | 0 | 112.5 | L336 L746 E747 T752 L753 L754 T804 L807 E808 H811 | L336-H750 HydrophobicContact CD2-CB 3.97Å; L746-H750 WeakPolarHBondContact O-CB 3.42Å; L746-H750 PolarHBondContact O-N 3.45Å; E747-H750 WeakPolarHBondContact O-CB 3.36Å; E747-H750 PolarHBondContact O-N 2.86Å; E747-H750 VanDerWaalsContact O-N 3.15Å; E747-H750 IonicContact OE1-CD2 3.91Å; E747-H750 IonicContact OE2-CD2 2.65Å; H750-T752 PolarHBondContact O-N 2.86Å; H750-L753 WeakPolarHBondContact O-CB 3.47Å; H750-L753 PolarHBondContact O-N 3.05Å; H750-L753 VanDerWaalsContact O-N 3.1Å; H750-L754 WeakPolarHBondContact O-CB 3.37Å; H750-L754 PolarHBondContact O-N 3.39Å; H750-T804 PolarHBondContact CE1-O 3.05Å; H750-L807 HydrophobicContact CB-CD1 4.21Å; H750-L807 VanDerWaalsContact CE1-CB 3.49Å; H750-L807 WeakPolarHBondContact CE1-CB 3.29Å; H750-E808 IonicContact NE2-OE2 2.85Å; H750-H811 AromaticContact CD2-CD2 3.96Å; H750-H811 AromaticContact CD2-NE2 3.85Å; H750-H811 AromaticContact NE2-CD2 3.72Å |
| 751 | L | 87 | Confident | 87.8 | Confident | 39 Ų | 39 | 33.4 Ų | 33.4 | 20% | 0.204 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60.8 | -31 | 177.9 | -70 | 175.8 | 0 | 0 | 0 | 112.6 | E747 I749 R755 | E747-L751 HydrophobicContact CG-CD1 4.14Å; E747-L751 HydrophobicContact CG-CG 4.33Å; E747-L751 WeakPolarHBondContact O-CB 3.27Å; E747-L751 WeakPolarHBondContact O-CG 3.49Å; E747-L751 PolarHBondContact O-N 3.45Å; E747-L751 WeakPolarHBondContact OE1-CG 3.03Å; I749-L751 PolarHBondContact O-N 3.14Å; L751-R755 WeakPolarHBondContact O-CB 3.25Å; L751-R755 PolarHBondContact O-N 2.89Å; L751-R755 VanDerWaalsContact O-N 3.08Å |
| 752 | T | 87.6 | Confident | 88.2 | Confident | 11 Ų | 11 | 32.9 Ų | 32.9 | 7% | 0.067 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -72.2 | -44.2 | 174.8 | -54.8 | 0 | 0 | 0 | 0 | 111 | L360 I368 N748 I749 H750 L754 R755 Y756 | L360-T752 HydrophobicContact CD1-CG2 4.41Å; I368-T752 HydrophobicContact CB-CG2 4.44Å; I368-T752 HydrophobicContact CD1-CG2 3.87Å; I368-T752 HydrophobicContact CG1-CG2 4.46Å; N748-T752 PolarHBondContact O-N 3.44Å; N748-T752 PolarHBondContact O-OG1 3.43Å; I749-T752 WeakPolarHBondContact O-CB 3.5Å; I749-T752 PolarHBondContact O-N 3Å; I749-T752 VanDerWaalsContact O-N 3.09Å; H750-T752 PolarHBondContact O-N 2.86Å; T752-L754 VanDerWaalsContact C-N 3.34Å; T752-L754 PolarHBondContact O-N 2.87Å; T752-R755 PolarHBondContact O-N 3.29Å; T752-Y756 PolarHBondContact O-N 3.33Å |
| 753 | L | 91.2 | Very high | 88.5 | Confident | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.8 | -44.1 | 175.2 | -63.2 | 178.5 | 0 | 0 | 0 | 111.5 | L336 I357 I749 H750 R755 Y756 I757 F760 I800 T804 | L336-L753 HydrophobicContact CD1-CD1 3.78Å; I357-L753 HydrophobicContact CD1-CD2 4.14Å; I357-L753 HydrophobicContact CG1-CD2 4.02Å; I749-L753 HydrophobicContact CG2-CD1 4.31Å; I749-L753 HydrophobicContact CG2-CG 4.5Å; I749-L753 WeakPolarHBondContact O-CG 3.2Å; I749-L753 PolarHBondContact O-N 3.19Å; H750-L753 WeakPolarHBondContact O-CB 3.47Å; H750-L753 PolarHBondContact O-N 3.05Å; H750-L753 VanDerWaalsContact O-N 3.1Å; L753-R755 PolarHBondContact O-N 3.43Å; L753-Y756 CarbonylContact O-C 3.56Å; L753-Y756 PolarHBondContact O-N 3.39Å; L753-I757 PolarHBondContact O-N 3.01Å; L753-I757 VanDerWaalsContact O-N 3.09Å; L753-F760 HydrophobicContact CD2-CE2 3.9Å; L753-F760 HydrophobicContact CD2-CZ 3.99Å; L753-I800 HydrophobicContact CD2-CG2 4.14Å; L753-T804 HydrophobicContact CB-CG2 4.31Å |
| 754 | L | 89.1 | Confident | 88.7 | Confident | 34 Ų | 34 | 32 Ų | 32 | 18% | 0.178 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.9 | -40.9 | 177 | -176.1 | 65.1 | 0 | 0 | 0 | 112.1 | H750 T752 Y756 I757 T804 E808 | H750-L754 WeakPolarHBondContact O-CB 3.37Å; H750-L754 PolarHBondContact O-N 3.39Å; T752-L754 VanDerWaalsContact C-N 3.34Å; T752-L754 PolarHBondContact O-N 2.87Å; L754-Y756 PolarHBondContact O-N 2.74Å; L754-I757 HydrophobicContact CD1-CD1 4.16Å; L754-I757 WeakPolarHBondContact O-CB 3.42Å; L754-I757 VanDerWaalsContact O-CG2 3.29Å; L754-I757 WeakPolarHBondContact O-CG2 3.17Å; L754-I757 PolarHBondContact O-N 3.18Å; L754-T804 HydrophobicContact CB-CG2 3.99Å; L754-T804 HydrophobicContact CD1-CG2 4.05Å; L754-E808 VanDerWaalsContact CD2-OE2 3.3Å; L754-E808 WeakPolarHBondContact CD2-OE2 3.23Å |
| 755 | R | 85.7 | Confident | 88.9 | Confident | 131 Ų | 131 | 35.1 Ų | 35.1 | 49% | 0.494 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -61.3 | -34.4 | 177.2 | -173.8 | 178.1 | -55.3 | 157.9 | 15.4 | 112.7 | E364 L751 T752 L753 | E364-R755 VanDerWaalsContact CD-NH1 3.3Å; E364-R755 IonicContact OE1-NH1 3.76Å; E364-R755 PolarHBondContact OE1-NH1 3.25Å; E364-R755 IonicContact OE2-NH1 3.44Å; E364-R755 PolarHBondContact OE2-NH1 3.42Å; L751-R755 WeakPolarHBondContact O-CB 3.25Å; L751-R755 PolarHBondContact O-N 2.89Å; L751-R755 VanDerWaalsContact O-N 3.08Å; T752-R755 PolarHBondContact O-N 3.29Å; L753-R755 PolarHBondContact O-N 3.43Å |
| 756 | Y | 88.9 | Confident | 88.8 | Confident | 41 Ų | 41 | 36.1 Ų | 36.1 | 16% | 0.161 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.2 | 16.1 | -177.7 | -79.2 | -83.4 | 0 | 0 | 0 | 113.6 | L360 P361 E364 T752 L753 L754 E758 T759 F760 | L360-Y756 HydrophobicContact CD1-CD2 4.35Å; L360-Y756 HydrophobicContact CD1-CG 4.42Å; L360-Y756 HydrophobicContact CD2-CD1 3.79Å; L360-Y756 HydrophobicContact CD2-CD2 4.42Å; L360-Y756 HydrophobicContact CD2-CE1 4.49Å; L360-Y756 HydrophobicContact CD2-CG 3.75Å; P361-Y756 HydrophobicContact CG-CE1 3.95Å; E364-Y756 HydrophobicContact CB-CE2 3.84Å; E364-Y756 HydrophobicContact CG-CE2 3.61Å; E364-Y756 WeakPolarHBondContact CG-OH 3.39Å; T752-Y756 PolarHBondContact O-N 3.33Å; L753-Y756 CarbonylContact O-C 3.56Å; L753-Y756 PolarHBondContact O-N 3.39Å; L754-Y756 PolarHBondContact O-N 2.74Å; Y756-E758 VanDerWaalsContact C-N 3.3Å; Y756-E758 PolarHBondContact O-N 3.05Å; Y756-T759 WeakPolarHBondContact O-CA 3.27Å; Y756-T759 VanDerWaalsContact O-CB 3.28Å; Y756-T759 WeakPolarHBondContact O-CB 3.27Å; Y756-T759 PolarHBondContact O-N 3Å; Y756-F760 WeakPolarHBondContact O-CD2 3.5Å; Y756-F760 PolarHBondContact O-N 3.45Å |
| 757 | I | 89.2 | Confident | 88.4 | Confident | 18 Ų | 18 | 35.4 Ų | 35.4 | 9% | 0.092 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -58.9 | -39.6 | -173.7 | -158.2 | 161.8 | 0 | 0 | 0 | 113.1 | L753 L754 T759 F760 R761 L801 T804 Y805 | L753-I757 PolarHBondContact O-N 3.01Å; L753-I757 VanDerWaalsContact O-N 3.09Å; L754-I757 HydrophobicContact CD1-CD1 4.16Å; L754-I757 WeakPolarHBondContact O-CB 3.42Å; L754-I757 VanDerWaalsContact O-CG2 3.29Å; L754-I757 WeakPolarHBondContact O-CG2 3.17Å; L754-I757 PolarHBondContact O-N 3.18Å; I757-T759 VanDerWaalsContact C-N 3.3Å; I757-T759 PolarHBondContact O-N 2.65Å; I757-F760 PolarHBondContact O-N 3.35Å; I757-R761 WeakPolarHBondContact O-CG 3.28Å; I757-R761 PolarHBondContact O-N 3.42Å; I757-L801 HydrophobicContact CG1-CD2 3.81Å; I757-T804 HydrophobicContact CD1-CG2 3.89Å; I757-Y805 HydrophobicContact CD1-CD1 3.96Å; I757-Y805 HydrophobicContact CD1-CE1 3.24Å; I757-Y805 HydrophobicContact CD1-CE2 4.31Å; I757-Y805 VanDerWaalsContact CD1-CZ 3.41Å; I757-Y805 VanDerWaalsContact CD1-OH 3.32Å; I757-Y805 WeakPolarHBondContact CD1-OH 3.44Å; I757-Y805 HydrophobicContact CG1-CE1 4.27Å; I757-Y805 WeakPolarHBondContact CG1-OH 3.22Å |
| 758 | E | 87.5 | Confident | 88.2 | Confident | 112 Ų | 112 | 39.4 Ų | 39.4 | 52% | 0.523 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -68.7 | -28.9 | 176.2 | -62.3 | -54.6 | 148.2 | 0 | 0 | 112.6 | Y756 R761 S762 | Y756-E758 VanDerWaalsContact C-N 3.3Å; Y756-E758 PolarHBondContact O-N 3.05Å; E758-R761 IonicContact OE1-CZ 3.14Å; E758-R761 IonicContact OE1-NH1 2.77Å; E758-R761 PolarHBondContact OE1-NH1 3.1Å; E758-R761 WeakPolarHBondContact OE2-CD 3.26Å; E758-R761 IonicContact OE2-NH1 3.93Å; E758-R761 PolarHBondContact OE2-NH1 3.17Å; E758-S762 WeakPolarHBondContact O-CB 3.5Å; E758-S762 PolarHBondContact O-N 3.5Å |
| 759 | T | 88.5 | Confident | 87.8 | Confident | 47 Ų | 47 | 41.2 Ų | 41.2 | 29% | 0.288 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -69.1 | -46.2 | 174 | -56.9 | 0 | 0 | 0 | 0 | 110.4 | Y756 I757 R761 S762 W763 | Y756-T759 WeakPolarHBondContact O-CA 3.27Å; Y756-T759 VanDerWaalsContact O-CB 3.28Å; Y756-T759 WeakPolarHBondContact O-CB 3.27Å; Y756-T759 PolarHBondContact O-N 3Å; I757-T759 VanDerWaalsContact C-N 3.3Å; I757-T759 PolarHBondContact O-N 2.65Å; T759-R761 VanDerWaalsContact C-N 3.33Å; T759-R761 PolarHBondContact O-N 3.21Å; T759-S762 PolarHBondContact O-N 3.36Å; T759-W763 HydrophobicContact CG2-CD2 4.17Å; T759-W763 VanDerWaalsContact CG2-CE2 3.48Å; T759-W763 HydrophobicContact CG2-CH2 4.26Å; T759-W763 HydrophobicContact CG2-CZ2 3.53Å; T759-W763 VanDerWaalsContact O-CG 3.26Å; T759-W763 PolarHBondContact O-N 3.43Å |
| 760 | F | 90.4 | Very high | 86.8 | Confident | 1 Ų | 1 | 47.4 Ų | 47.4 | 0% | 0.004 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.5 | -37 | 175.8 | -65.1 | -61.1 | 0 | 0 | 0 | 112.6 | L360 L753 Y756 I757 W763 K764 L797 I800 L801 | L360-F760 HydrophobicContact CD1-CZ 4.13Å; L360-F760 HydrophobicContact CD2-CE1 4.24Å; L360-F760 HydrophobicContact CD2-CE2 4.46Å; L360-F760 HydrophobicContact CD2-CZ 3.87Å; L360-F760 HydrophobicContact CG-CZ 4.29Å; L753-F760 HydrophobicContact CD2-CE2 3.9Å; L753-F760 HydrophobicContact CD2-CZ 3.99Å; Y756-F760 WeakPolarHBondContact O-CD2 3.5Å; Y756-F760 PolarHBondContact O-N 3.45Å; I757-F760 PolarHBondContact O-N 3.35Å; F760-W763 AromaticContact CD1-CE3 3.76Å; F760-W763 HydrophobicContact CD1-CE3 3.76Å; F760-W763 AromaticContact CD1-CZ3 3.84Å; F760-W763 HydrophobicContact CD1-CZ3 3.84Å; F760-W763 HydrophobicContact CE1-CE3 4.12Å; F760-W763 AromaticContact CE1-CZ3 3.69Å; F760-W763 HydrophobicContact CE1-CZ3 3.69Å; F760-W763 PolarHBondContact O-N 3.49Å; F760-K764 PolarHBondContact O-N 2.97Å; F760-L797 HydrophobicContact CB-CD2 4.35Å; F760-L797 HydrophobicContact CD1-CD2 3.95Å; F760-I800 HydrophobicContact CD1-CD1 4.33Å; F760-I800 HydrophobicContact CD1-CG2 4.49Å; F760-I800 HydrophobicContact CD2-CG2 3.95Å; F760-I800 HydrophobicContact CE1-CD1 4.19Å; F760-I800 HydrophobicContact CE2-CG2 4.15Å; F760-I800 HydrophobicContact CG-CG2 4.14Å; F760-I800 HydrophobicContact CZ-CG2 4.5Å; F760-L801 HydrophobicContact CB-CD2 4.06Å |
| 761 | R | 89.4 | Confident | 85.2 | Confident | 57 Ų | 57 | 57.6 Ų | 57.6 | 22% | 0.215 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.9 | -52 | 171 | -76.9 | 176 | 168.7 | -176.3 | -8 | 111.7 | I757 E758 T759 W763 K764 D765 L801 Y805 A852 | I757-R761 WeakPolarHBondContact O-CG 3.28Å; I757-R761 PolarHBondContact O-N 3.42Å; E758-R761 IonicContact OE1-CZ 3.14Å; E758-R761 IonicContact OE1-NH1 2.77Å; E758-R761 PolarHBondContact OE1-NH1 3.1Å; E758-R761 WeakPolarHBondContact OE2-CD 3.26Å; E758-R761 IonicContact OE2-NH1 3.93Å; E758-R761 PolarHBondContact OE2-NH1 3.17Å; T759-R761 VanDerWaalsContact C-N 3.33Å; T759-R761 PolarHBondContact O-N 3.21Å; R761-W763 VanDerWaalsContact C-N 3.26Å; R761-W763 PolarHBondContact O-N 3.41Å; R761-K764 WeakPolarHBondContact O-CB 3.45Å; R761-K764 PolarHBondContact O-N 2.86Å; R761-D765 PolarHBondContact O-N 3.09Å; R761-L801 HydrophobicContact CG-CD1 4.25Å; R761-L801 HydrophobicContact CG-CD2 3.82Å; R761-Y805 PolarHBondContact NE-OH 3.32Å; R761-Y805 PolarHBondContact NH2-OH 3.25Å; R761-A852 PolarHBondContact NH2-O 3.47Å |
| 762 | S | 87.6 | Confident | 83.9 | Confident | 46 Ų | 46 | 57.2 Ų | 57.2 | 32% | 0.322 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -58 | -38.1 | 178 | 178.9 | 0 | 0 | 0 | 0 | 112.7 | E758 T759 F766 S772 | E758-S762 WeakPolarHBondContact O-CB 3.5Å; E758-S762 PolarHBondContact O-N 3.5Å; T759-S762 PolarHBondContact O-N 3.36Å; S762-F766 WeakPolarHBondContact O-CB 3.3Å; S762-F766 PolarHBondContact O-N 3.46Å; S762-S772 PolarHBondContact O-OG 2.69Å; S762-S772 VanDerWaalsContact O-OG 3.08Å |
| 763 | W | 89.1 | Confident | 82.6 | Confident | 14 Ų | 14 | 63.1 Ų | 63.1 | 5% | 0.053 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -66.3 | -45.4 | 172.9 | -64.6 | -4.9 | 0 | 0 | 0 | 111.7 | L360 T759 F760 R761 D765 F766 F767 L774 L778 L780 L797 | L360-W763 HydrophobicContact CD2-CH2 4Å; T759-W763 HydrophobicContact CG2-CD2 4.17Å; T759-W763 VanDerWaalsContact CG2-CE2 3.48Å; T759-W763 HydrophobicContact CG2-CH2 4.26Å; T759-W763 HydrophobicContact CG2-CZ2 3.53Å; T759-W763 VanDerWaalsContact O-CG 3.26Å; T759-W763 PolarHBondContact O-N 3.43Å; F760-W763 AromaticContact CD1-CE3 3.76Å; F760-W763 HydrophobicContact CD1-CE3 3.76Å; F760-W763 AromaticContact CD1-CZ3 3.84Å; F760-W763 HydrophobicContact CD1-CZ3 3.84Å; F760-W763 HydrophobicContact CE1-CE3 4.12Å; F760-W763 AromaticContact CE1-CZ3 3.69Å; F760-W763 HydrophobicContact CE1-CZ3 3.69Å; F760-W763 PolarHBondContact O-N 3.49Å; R761-W763 VanDerWaalsContact C-N 3.26Å; R761-W763 PolarHBondContact O-N 3.41Å; W763-D765 VanDerWaalsContact C-N 3.33Å; W763-D765 PolarHBondContact O-N 3.27Å; W763-F766 WeakPolarHBondContact O-CB 3.48Å; W763-F766 PolarHBondContact O-N 3.05Å; W763-F767 VanDerWaalsContact O-CD2 3.25Å; W763-F767 WeakPolarHBondContact O-CD2 3.3Å; W763-F767 PolarHBondContact O-N 3.09Å; W763-L774 VanDerWaalsContact CD1-CD2 3.43Å; W763-L774 HydrophobicContact CG-CD2 4.4Å; W763-L778 HydrophobicContact CH2-CD2 4.44Å; W763-L778 HydrophobicContact CZ2-CD2 3.58Å; W763-L780 HydrophobicContact CD2-CD1 3.54Å; W763-L780 HydrophobicContact CE3-CD1 3.82Å; W763-L780 HydrophobicContact CG-CD1 3.92Å; W763-L780 HydrophobicContact CH2-CD1 4.36Å; W763-L780 HydrophobicContact CZ2-CD1 4.11Å; W763-L780 HydrophobicContact CZ3-CD1 4.22Å; W763-L797 HydrophobicContact CB-CD1 4.09Å; W763-L797 HydrophobicContact CB-CD2 4.1Å; W763-L797 HydrophobicContact CE3-CD2 4.11Å |
| 764 | K | 89.1 | Confident | 81.3 | Confident | 47 Ų | 47 | 63.8 Ų | 63.8 | 20% | 0.204 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -57.5 | -48.2 | 175.7 | -179.7 | -176.9 | 169 | -69 | 0 | 110.7 | F760 R761 F766 F767 E768 L794 L797 L801 | F760-K764 PolarHBondContact O-N 2.97Å; R761-K764 WeakPolarHBondContact O-CB 3.45Å; R761-K764 PolarHBondContact O-N 2.86Å; K764-F766 VanDerWaalsContact C-N 3.28Å; K764-F766 PolarHBondContact O-N 2.69Å; K764-F767 PolarHBondContact O-N 2.95Å; K764-E768 IonicContact NZ-OE2 3.4Å; K764-E768 PolarHBondContact NZ-OE2 3.21Å; K764-E768 VanDerWaalsContact O-CB 3.29Å; K764-E768 WeakPolarHBondContact O-CB 3.5Å; K764-E768 PolarHBondContact O-N 2.9Å; K764-L794 HydrophobicContact CG-CD2 4.24Å; K764-L797 HydrophobicContact CB-CB 4.28Å; K764-L797 HydrophobicContact CB-CD1 4.34Å; K764-L801 HydrophobicContact CB-CD1 4.45Å; K764-L801 HydrophobicContact CD-CD1 3.78Å |
| 765 | D | 87.1 | Confident | 79.9 | Confident | 73 Ų | 73 | 66 Ų | 66 | 39% | 0.39 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.6 | -34.9 | 179.6 | -66 | -18.1 | 0 | 0 | 0 | 112.4 | R761 W763 N769 | R761-D765 PolarHBondContact O-N 3.09Å; W763-D765 VanDerWaalsContact C-N 3.33Å; W763-D765 PolarHBondContact O-N 3.27Å; D765-N769 PolarHBondContact O-N 3.03Å |
| 766 | F | 85.7 | Confident | 78.3 | Confident | 24 Ų | 24 | 68.3 Ų | 68.3 | 11% | 0.105 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -61.7 | -54.8 | 172.7 | 179.9 | -96.5 | 0 | 0 | 0 | 111.2 | S762 W763 K764 E768 Q770 S772 L774 L781 F784 | S762-F766 WeakPolarHBondContact O-CB 3.3Å; S762-F766 PolarHBondContact O-N 3.46Å; W763-F766 WeakPolarHBondContact O-CB 3.48Å; W763-F766 PolarHBondContact O-N 3.05Å; K764-F766 VanDerWaalsContact C-N 3.28Å; K764-F766 PolarHBondContact O-N 2.69Å; F766-E768 PolarHBondContact O-N 3.24Å; F766-Q770 WeakPolarHBondContact O-CA 3.47Å; F766-Q770 PolarHBondContact O-N 3.35Å; F766-S772 VanDerWaalsContact CA-OG 3.28Å; F766-S772 WeakPolarHBondContact CA-OG 2.85Å; F766-S772 VanDerWaalsContact CB-OG 3.28Å; F766-S772 WeakPolarHBondContact CB-OG 3.36Å; F766-S772 WeakPolarHBondContact CD2-O 3.31Å; F766-S772 PolarHBondContact N-OG 3.03Å; F766-L774 HydrophobicContact CB-CD1 4.25Å; F766-L774 HydrophobicContact CB-CG 4.17Å; F766-L774 HydrophobicContact CD1-CD1 3.2Å; F766-L774 HydrophobicContact CD1-CG 3.96Å; F766-L774 HydrophobicContact CD2-CB 4.19Å; F766-L774 HydrophobicContact CD2-CD1 3.84Å; F766-L774 HydrophobicContact CD2-CG 3.72Å; F766-L774 HydrophobicContact CE1-CD1 3.34Å; F766-L774 HydrophobicContact CE1-CG 4.28Å; F766-L774 HydrophobicContact CE2-CB 4.14Å; F766-L774 HydrophobicContact CE2-CD1 3.96Å; F766-L774 HydrophobicContact CE2-CG 4.08Å; F766-L774 HydrophobicContact CG-CD1 3.47Å; F766-L774 VanDerWaalsContact CG-CD1 3.47Å; F766-L774 HydrophobicContact CG-CG 3.65Å; F766-L774 HydrophobicContact CZ-CB 4.49Å; F766-L774 HydrophobicContact CZ-CD1 3.72Å; F766-L774 HydrophobicContact CZ-CG 4.34Å; F766-L781 HydrophobicContact CE1-CD2 4.08Å; F766-L781 HydrophobicContact CE2-CD2 4.44Å; F766-L781 HydrophobicContact CZ-CD2 3.61Å; F766-F784 AromaticContact CD1-CD2 3.9Å; F766-F784 HydrophobicContact CD1-CD2 3.9Å; F766-F784 HydrophobicContact CD1-CE2 4.28Å; F766-F784 HydrophobicContact CE1-CB 4.22Å; F766-F784 AromaticContact CE1-CD2 3.37Å; F766-F784 HydrophobicContact CE1-CD2 3.37Å; F766-F784 AromaticContact CE1-CE2 3.93Å; F766-F784 HydrophobicContact CE1-CE2 3.93Å; F766-F784 AromaticContact CE1-CG 3.87Å; F766-F784 HydrophobicContact CE1-CG 3.87Å; F766-F784 HydrophobicContact CZ-CD2 4.21Å; F766-F784 HydrophobicContact CZ-CG 4.48Å |
| 767 | F | 84.2 | Confident | 76.5 | Confident | 0 Ų | 0 | 75.1 Ų | 75.1 | 0% | 0 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -68.6 | -22.4 | -177.8 | -80.4 | -82.1 | 0 | 0 | 0 | 112.3 | W763 K764 L780 L783 F784 R790 T793 L794 L797 | W763-F767 VanDerWaalsContact O-CD2 3.25Å; W763-F767 WeakPolarHBondContact O-CD2 3.3Å; W763-F767 PolarHBondContact O-N 3.09Å; K764-F767 PolarHBondContact O-N 2.95Å; F767-L780 HydrophobicContact CE2-CB 4.22Å; F767-L780 HydrophobicContact CE2-CD1 4.35Å; F767-L780 HydrophobicContact CE2-CD2 4.47Å; F767-L780 HydrophobicContact CZ-CB 4.08Å; F767-L780 HydrophobicContact CZ-CD2 4.48Å; F767-L783 HydrophobicContact CE1-CB 4.09Å; F767-L783 HydrophobicContact CZ-CB 4.09Å; F767-F784 AromaticContact CD1-CD2 3.71Å; F767-F784 HydrophobicContact CD1-CD2 3.71Å; F767-F784 HydrophobicContact CD1-CE2 4.47Å; F767-F784 HydrophobicContact CE1-CB 4.01Å; F767-F784 HydrophobicContact CE1-CD2 4.03Å; F767-F784 HydrophobicContact CG-CD2 4.41Å; F767-R790 HydrophobicContact CD1-CB 4.49Å; F767-R790 HydrophobicContact CD1-CG 4.09Å; F767-R790 PolarHBondContact O-NE 3.42Å; F767-R790 PolarHBondContact O-NH2 2.73Å; F767-T793 HydrophobicContact CD1-CG2 4.38Å; F767-T793 HydrophobicContact CD2-CG2 4.11Å; F767-T793 HydrophobicContact CE1-CG2 4.13Å; F767-T793 HydrophobicContact CE2-CG2 3.89Å; F767-T793 HydrophobicContact CG-CG2 4.38Å; F767-T793 HydrophobicContact CZ-CG2 3.9Å; F767-L794 HydrophobicContact CB-CD1 4.44Å; F767-L794 HydrophobicContact CB-CD2 3.48Å; F767-L794 VanDerWaalsContact CB-CD2 3.48Å; F767-L794 HydrophobicContact CB-CG 3.79Å; F767-L797 HydrophobicContact CD2-CD1 4.07Å |
| 768 | E | 84.9 | Confident | 75.1 | Confident | 91 Ų | 91 | 76 Ų | 76 | 43% | 0.425 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -87.5 | -52.2 | 178.6 | -167.7 | 166.4 | -165.5 | 0 | 0 | 111.6 | K764 F766 R790 L794 | K764-E768 IonicContact NZ-OE2 3.4Å; K764-E768 PolarHBondContact NZ-OE2 3.21Å; K764-E768 VanDerWaalsContact O-CB 3.29Å; K764-E768 WeakPolarHBondContact O-CB 3.5Å; K764-E768 PolarHBondContact O-N 2.9Å; F766-E768 PolarHBondContact O-N 3.24Å; E768-R790 PolarHBondContact O-NH2 3.23Å; E768-L794 HydrophobicContact CB-CD2 4.17Å |
| 769 | N | 78 | Confident | 74 | Confident | 77 Ų | 77 | 73.5 Ų | 73.5 | 41% | 0.412 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -120.9 | -3.4 | -163.5 | -67.2 | -49.5 | 0 | 0 | 0 | 115.4 | D765 R771 | D765-N769 PolarHBondContact O-N 3.03Å; N769-R771 HydrophobicContact CB-CB 4.3Å; N769-R771 HydrophobicContact CB-CG 3.85Å; N769-R771 PolarHBondContact O-N 3.02Å |
| 770 | Q | 70.7 | Confident | 72.9 | Confident | 131 Ų | 131 | 71.3 Ų | 71.3 | 61% | 0.612 | 36% | 0.356 | S | S | * | . | S | Bend | trans | 53.5 | 17.5 | -171 | -64 | -174.7 | -29.8 | 0 | 0 | 114.7 | F766 F784 | F766-Q770 WeakPolarHBondContact O-CA 3.47Å; F766-Q770 PolarHBondContact O-N 3.35Å; Q770-F784 HydrophobicContact CG-CE1 4.42Å; Q770-F784 HydrophobicContact CG-CE2 4.17Å; Q770-F784 HydrophobicContact CG-CZ 3.57Å |
| 771 | R | 57.8 | Low | 71.6 | Confident | 215 Ų | 215 | 73.9 Ų | 73.9 | 81% | 0.811 | 37% | 0.37 | S | S | * | . | trans | -81 | -26.9 | -172.7 | -76.1 | 179.8 | -172.7 | -178.3 | 3.7 | 113.5 | N769 | N769-R771 HydrophobicContact CB-CB 4.3Å; N769-R771 HydrophobicContact CB-CG 3.85Å; N769-R771 PolarHBondContact O-N 3.02Å | ||
| 772 | S | 60.4 | Low | 70.6 | Confident | 30 Ų | 30 | 77.2 Ų | 77.2 | 21% | 0.21 | 39% | 0.388 | C | S | . | . | S | Bend | trans | -92.9 | 146.6 | 179 | 49.8 | 0 | 0 | 0 | 0 | 111 | S762 F766 | S762-S772 PolarHBondContact O-OG 2.69Å; S762-S772 VanDerWaalsContact O-OG 3.08Å; F766-S772 VanDerWaalsContact CA-OG 3.28Å; F766-S772 WeakPolarHBondContact CA-OG 2.85Å; F766-S772 VanDerWaalsContact CB-OG 3.28Å; F766-S772 WeakPolarHBondContact CB-OG 3.36Å; F766-S772 WeakPolarHBondContact CD2-O 3.31Å; F766-S772 PolarHBondContact N-OG 3.03Å |
| 773 | T | 60.8 | Low | 69.6 | Low | 135 Ų | 135 | 75 Ų | 75 | 83% | 0.828 | 37% | 0.372 | S | S | * | . | trans | -86.6 | 107.6 | 167.1 | 51.4 | 0 | 0 | 0 | 0 | 108 | ||||
| 774 | L | 62.7 | Low | 68.7 | Low | 15 Ų | 15 | 75.6 Ų | 75.6 | 8% | 0.079 | 38% | 0.375 | C | S | . | . | trans | -63.5 | 141.7 | 162.8 | -86.5 | 172.4 | 0 | 0 | 0 | 108.6 | W763 F766 Q776 L778 L780 L781 | W763-L774 VanDerWaalsContact CD1-CD2 3.43Å; W763-L774 HydrophobicContact CG-CD2 4.4Å; F766-L774 HydrophobicContact CB-CD1 4.25Å; F766-L774 HydrophobicContact CB-CG 4.17Å; F766-L774 HydrophobicContact CD1-CD1 3.2Å; F766-L774 HydrophobicContact CD1-CG 3.96Å; F766-L774 HydrophobicContact CD2-CB 4.19Å; F766-L774 HydrophobicContact CD2-CD1 3.84Å; F766-L774 HydrophobicContact CD2-CG 3.72Å; F766-L774 HydrophobicContact CE1-CD1 3.34Å; F766-L774 HydrophobicContact CE1-CG 4.28Å; F766-L774 HydrophobicContact CE2-CB 4.14Å; F766-L774 HydrophobicContact CE2-CD1 3.96Å; F766-L774 HydrophobicContact CE2-CG 4.08Å; F766-L774 HydrophobicContact CG-CD1 3.47Å; F766-L774 VanDerWaalsContact CG-CD1 3.47Å; F766-L774 HydrophobicContact CG-CG 3.65Å; F766-L774 HydrophobicContact CZ-CB 4.49Å; F766-L774 HydrophobicContact CZ-CD1 3.72Å; F766-L774 HydrophobicContact CZ-CG 4.34Å; L774-Q776 PolarHBondContact O-N 2.9Å; L774-L778 HydrophobicContact CD2-CD2 4.36Å; L774-L780 HydrophobicContact CD1-CB 4.34Å; L774-L781 HydrophobicContact CB-CD2 4.29Å; L774-L781 HydrophobicContact CD1-CD2 4.04Å | ||
| 775 | P | 59.8 | Low | 68 | Low | 80 Ų | 80 | 79.7 Ų | 79.7 | 52% | 0.519 | 40% | 0.399 | S | S | . | . | trans | -52 | 127.8 | 164.2 | -21.1 | 31.6 | 0 | 0 | 0 | 108.7 | E777 L778 | P775-E777 PolarHBondContact O-N 3.24Å; P775-L778 HydrophobicContact CB-CD1 4.33Å; P775-L778 HydrophobicContact CG-CD1 4.41Å; P775-L778 PolarHBondContact O-N 3.25Å | ||
| 776 | Q | 51.9 | Low | 67.8 | Low | 181 Ų | 181 | 81.1 Ų | 81.1 | 85% | 0.846 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -13.6 | -175.9 | -91.9 | -179.8 | -9 | 0 | 0 | 114.1 | L774 L781 | L774-Q776 PolarHBondContact O-N 2.9Å; Q776-L781 WeakPolarHBondContact O-CD1 3.35Å |
| 777 | E | 51.6 | Low | 67.7 | Low | 183 Ų | 183 | 84.8 Ų | 84.8 | 86% | 0.855 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | -1.2 | -175 | -59.5 | -174.1 | 166.6 | 0 | 0 | 114.5 | P775 | P775-E777 PolarHBondContact O-N 3.24Š|
| 778 | L | 60.7 | Low | 67.7 | Low | 37 Ų | 37 | 89.2 Ų | 89.2 | 19% | 0.194 | 46% | 0.457 | C | S | . | . | trans | -81.2 | 129.9 | -179.8 | -104.7 | 79.7 | 0 | 0 | 0 | 112.3 | W763 L774 P775 L780 L781 | W763-L778 HydrophobicContact CH2-CD2 4.44Å; W763-L778 HydrophobicContact CZ2-CD2 3.58Å; L774-L778 HydrophobicContact CD2-CD2 4.36Å; P775-L778 HydrophobicContact CB-CD1 4.33Å; P775-L778 HydrophobicContact CG-CD1 4.41Å; P775-L778 PolarHBondContact O-N 3.25Å; L778-L780 HydrophobicContact CB-CB 4.22Å; L778-L780 HydrophobicContact CB-CG 4.44Å; L778-L780 HydrophobicContact CD2-CB 4.43Å; L778-L780 HydrophobicContact CD2-CD1 3.45Å; L778-L780 VanDerWaalsContact CD2-CD1 3.45Å; L778-L780 HydrophobicContact CD2-CG 3.87Å; L778-L780 PolarHBondContact O-N 2.89Å; L778-L781 PolarHBondContact O-N 2.96Å; L778-L781 VanDerWaalsContact O-N 3.07Å | ||
| 779 | P | 64.4 | Low | 67.8 | Low | 60 Ų | 60 | 85.2 Ų | 85.2 | 39% | 0.39 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -19.4 | 171.3 | -24.7 | 33.3 | 0 | 0 | 0 | 113.9 | Y359 L781 Q782 | Y359-P779 HydrophobicContact CD1-CB 4.28Å; Y359-P779 HydrophobicContact CD1-CG 4.17Å; Y359-P779 HydrophobicContact CE1-CB 3.79Å; Y359-P779 HydrophobicContact CE1-CG 4.06Å; P779-L781 PolarHBondContact O-N 3.37Å; P779-Q782 WeakPolarHBondContact O-CB 3.47Å; P779-Q782 PolarHBondContact O-N 2.88Å; P779-Q782 VanDerWaalsContact O-N 3.14Å |
| 780 | L | 65.8 | Low | 68.3 | Low | 0 Ų | 0 | 85.1 Ų | 85.1 | 0% | 0 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -54.8 | -30.1 | 174.6 | -66.9 | -177 | 0 | 0 | 0 | 113.3 | L356 Y359 W763 F767 L774 L778 Q782 L783 F784 | L356-L780 HydrophobicContact CD2-CD2 3.85Å; Y359-L780 HydrophobicContact CD2-CD2 3.32Å; Y359-L780 HydrophobicContact CD2-CG 4.02Å; Y359-L780 HydrophobicContact CE2-CD2 3.5Å; Y359-L780 VanDerWaalsContact CE2-CD2 3.5Å; Y359-L780 HydrophobicContact CE2-CG 4.45Å; Y359-L780 HydrophobicContact CG-CD2 4.19Å; Y359-L780 HydrophobicContact CG-CG 4.44Å; W763-L780 HydrophobicContact CD2-CD1 3.54Å; W763-L780 HydrophobicContact CE3-CD1 3.82Å; W763-L780 HydrophobicContact CG-CD1 3.92Å; W763-L780 HydrophobicContact CH2-CD1 4.36Å; W763-L780 HydrophobicContact CZ2-CD1 4.11Å; W763-L780 HydrophobicContact CZ3-CD1 4.22Å; F767-L780 HydrophobicContact CE2-CB 4.22Å; F767-L780 HydrophobicContact CE2-CD1 4.35Å; F767-L780 HydrophobicContact CE2-CD2 4.47Å; F767-L780 HydrophobicContact CZ-CB 4.08Å; F767-L780 HydrophobicContact CZ-CD2 4.48Å; L774-L780 HydrophobicContact CD1-CB 4.34Å; L778-L780 HydrophobicContact CB-CB 4.22Å; L778-L780 HydrophobicContact CB-CG 4.44Å; L778-L780 HydrophobicContact CD2-CB 4.43Å; L778-L780 HydrophobicContact CD2-CD1 3.45Å; L778-L780 VanDerWaalsContact CD2-CD1 3.45Å; L778-L780 HydrophobicContact CD2-CG 3.87Å; L778-L780 PolarHBondContact O-N 2.89Å; L780-Q782 PolarHBondContact O-N 2.72Å; L780-L783 HydrophobicContact CD2-CD1 3.47Å; L780-L783 VanDerWaalsContact CD2-CD1 3.47Å; L780-L783 VanDerWaalsContact O-CB 3.27Å; L780-L783 WeakPolarHBondContact O-CB 3.4Å; L780-L783 PolarHBondContact O-N 2.96Å; L780-F784 PolarHBondContact O-N 3.21Å |
| 781 | L | 61.6 | Low | 69.2 | Low | 56 Ų | 56 | 84.6 Ų | 84.6 | 29% | 0.293 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -61.3 | -32.5 | 178.9 | -71.1 | 174.4 | 0 | 0 | 0 | 112.4 | F766 L774 Q776 L778 P779 L783 F784 | F766-L781 HydrophobicContact CE1-CD2 4.08Å; F766-L781 HydrophobicContact CE2-CD2 4.44Å; F766-L781 HydrophobicContact CZ-CD2 3.61Å; L774-L781 HydrophobicContact CB-CD2 4.29Å; L774-L781 HydrophobicContact CD1-CD2 4.04Å; Q776-L781 WeakPolarHBondContact O-CD1 3.35Å; L778-L781 PolarHBondContact O-N 2.96Å; L778-L781 VanDerWaalsContact O-N 3.07Å; P779-L781 PolarHBondContact O-N 3.37Å; L781-L783 VanDerWaalsContact C-N 3.28Å; L781-L783 PolarHBondContact O-N 3.34Å; L781-F784 WeakPolarHBondContact O-CB 3.42Å; L781-F784 PolarHBondContact O-N 2.98Å |
| 782 | Q | 68.3 | Low | 70.8 | Confident | 127 Ų | 127 | 75.9 Ų | 75.9 | 59% | 0.593 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -68.5 | -29.8 | 175.6 | -63.5 | 178.6 | -9.3 | 0 | 0 | 112.3 | R350 P779 L780 F784 | R350-Q782 VanDerWaalsContact NH2-OE1 3.16Å; P779-Q782 WeakPolarHBondContact O-CB 3.47Å; P779-Q782 PolarHBondContact O-N 2.88Å; P779-Q782 VanDerWaalsContact O-N 3.14Å; L780-Q782 PolarHBondContact O-N 2.72Å; Q782-F784 VanDerWaalsContact C-N 3.26Å; Q782-F784 PolarHBondContact O-N 3.33Å |
| 783 | L | 68.3 | Low | 72.3 | Confident | 0 Ų | 0 | 74.5 Ų | 74.5 | 0% | 0 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -70.3 | -26.1 | 176.8 | -57.5 | 175.1 | 0 | 0 | 0 | 112.1 | R350 Y359 F767 L780 L781 N785 I789 | R350-L783 HydrophobicContact CB-CD2 4.04Å; R350-L783 HydrophobicContact CG-CD2 3.47Å; R350-L783 VanDerWaalsContact CG-CD2 3.47Å; Y359-L783 HydrophobicContact CE2-CD1 4.23Å; F767-L783 HydrophobicContact CE1-CB 4.09Å; F767-L783 HydrophobicContact CZ-CB 4.09Å; L780-L783 HydrophobicContact CD2-CD1 3.47Å; L780-L783 VanDerWaalsContact CD2-CD1 3.47Å; L780-L783 VanDerWaalsContact O-CB 3.27Å; L780-L783 WeakPolarHBondContact O-CB 3.4Å; L780-L783 PolarHBondContact O-N 2.96Å; L781-L783 VanDerWaalsContact C-N 3.28Å; L781-L783 PolarHBondContact O-N 3.34Å; L783-N785 VanDerWaalsContact C-N 3.32Å; L783-N785 PolarHBondContact O-N 3.27Å; L783-I789 HydrophobicContact CB-CG2 3.79Å; L783-I789 HydrophobicContact CD2-CG2 3.48Å; L783-I789 VanDerWaalsContact CD2-CG2 3.48Å; L783-I789 HydrophobicContact CG-CG2 4.21Å |
| 784 | F | 68.5 | Low | 73.7 | Confident | 26 Ų | 26 | 69.9 Ų | 69.9 | 11% | 0.114 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -68.2 | -32 | -173.4 | -173 | -90.2 | 0 | 0 | 0 | 112.8 | F766 F767 Q770 L780 L781 Q782 E786 | F766-F784 AromaticContact CD1-CD2 3.9Å; F766-F784 HydrophobicContact CD1-CD2 3.9Å; F766-F784 HydrophobicContact CD1-CE2 4.28Å; F766-F784 HydrophobicContact CE1-CB 4.22Å; F766-F784 AromaticContact CE1-CD2 3.37Å; F766-F784 HydrophobicContact CE1-CD2 3.37Å; F766-F784 AromaticContact CE1-CE2 3.93Å; F766-F784 HydrophobicContact CE1-CE2 3.93Å; F766-F784 AromaticContact CE1-CG 3.87Å; F766-F784 HydrophobicContact CE1-CG 3.87Å; F766-F784 HydrophobicContact CZ-CD2 4.21Å; F766-F784 HydrophobicContact CZ-CG 4.48Å; F767-F784 AromaticContact CD1-CD2 3.71Å; F767-F784 HydrophobicContact CD1-CD2 3.71Å; F767-F784 HydrophobicContact CD1-CE2 4.47Å; F767-F784 HydrophobicContact CE1-CB 4.01Å; F767-F784 HydrophobicContact CE1-CD2 4.03Å; F767-F784 HydrophobicContact CG-CD2 4.41Å; Q770-F784 HydrophobicContact CG-CE1 4.42Å; Q770-F784 HydrophobicContact CG-CE2 4.17Å; Q770-F784 HydrophobicContact CG-CZ 3.57Å; L780-F784 PolarHBondContact O-N 3.21Å; L781-F784 WeakPolarHBondContact O-CB 3.42Å; L781-F784 PolarHBondContact O-N 2.98Å; Q782-F784 VanDerWaalsContact C-N 3.26Å; Q782-F784 PolarHBondContact O-N 3.33Å; F784-E786 VanDerWaalsContact C-N 3.33Å; F784-E786 PolarHBondContact O-N 2.9Å |
| 785 | N | 75.1 | Confident | 75.2 | Confident | 133 Ų | 133 | 74.2 Ų | 74.2 | 71% | 0.711 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -23.2 | -172.7 | -67.8 | -19.4 | 0 | 0 | 0 | 113.6 | L783 | L783-N785 VanDerWaalsContact C-N 3.32Å; L783-N785 PolarHBondContact O-N 3.27Å |
| 786 | E | 82.3 | Confident | 76.8 | Confident | 102 Ų | 102 | 70.9 Ų | 70.9 | 48% | 0.477 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -98.9 | 117 | 179.5 | -70.5 | -171.7 | -164.9 | 0 | 0 | 110.5 | F784 T788 I789 R790 | F784-E786 VanDerWaalsContact C-N 3.33Å; F784-E786 PolarHBondContact O-N 2.9Å; E786-T788 VanDerWaalsContact C-N 3.3Å; E786-T788 PolarHBondContact O-N 3.01Å; E786-I789 HydrophobicContact CB-CB 3.99Å; E786-I789 HydrophobicContact CB-CD1 3.96Å; E786-I789 HydrophobicContact CB-CG1 3.8Å; E786-I789 HydrophobicContact CG-CD1 4.36Å; E786-I789 PolarHBondContact O-N 2.79Å; E786-I789 WeakPolarHBondContact OE2-CD1 3.28Å; E786-I789 WeakPolarHBondContact OE2-CG1 3.32Å; E786-R790 WeakPolarHBondContact O-CB 3.48Å; E786-R790 PolarHBondContact O-N 2.82Å |
| 787 | P | 83.4 | Confident | 78.8 | Confident | 102 Ų | 102 | 62.2 Ų | 62.2 | 66% | 0.662 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -63.4 | -35.3 | -170.7 | 23.9 | -33.6 | 0 | 0 | 0 | 113 | Q791 | P787-Q791 PolarHBondContact O-N 3.22Å |
| 788 | T | 85.1 | Confident | 80.8 | Confident | 92 Ų | 92 | 58.3 Ų | 58.3 | 56% | 0.564 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -65.4 | -48.2 | 176.2 | 47.9 | 0 | 0 | 0 | 0 | 111.3 | E786 R790 Q791 V792 | E786-T788 VanDerWaalsContact C-N 3.3Å; E786-T788 PolarHBondContact O-N 3.01Å; T788-R790 VanDerWaalsContact C-N 3.33Å; T788-R790 PolarHBondContact O-N 2.86Å; T788-Q791 PolarHBondContact O-N 2.99Å; T788-V792 WeakPolarHBondContact O-CG2 3.09Å; T788-V792 PolarHBondContact O-N 3.47Å; T788-V792 VanDerWaalsContact O-N 3.11Å |
| 789 | I | 86.9 | Confident | 82.4 | Confident | 8 Ų | 8 | 59 Ų | 59 | 4% | 0.041 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63 | -42.4 | 177.2 | -58.5 | -167.6 | 0 | 0 | 0 | 110.5 | P348 A351 L783 E786 Q791 V792 T793 | P348-I789 HydrophobicContact CG-CD1 3.72Å; P348-I789 HydrophobicContact CG-CG1 3.74Å; P348-I789 HydrophobicContact CG-CG2 4.34Å; A351-I789 HydrophobicContact CB-CG2 4.15Å; L783-I789 HydrophobicContact CB-CG2 3.79Å; L783-I789 HydrophobicContact CD2-CG2 3.48Å; L783-I789 VanDerWaalsContact CD2-CG2 3.48Å; L783-I789 HydrophobicContact CG-CG2 4.21Å; E786-I789 HydrophobicContact CB-CB 3.99Å; E786-I789 HydrophobicContact CB-CD1 3.96Å; E786-I789 HydrophobicContact CB-CG1 3.8Å; E786-I789 HydrophobicContact CG-CD1 4.36Å; E786-I789 PolarHBondContact O-N 2.79Å; E786-I789 WeakPolarHBondContact OE2-CD1 3.28Å; E786-I789 WeakPolarHBondContact OE2-CG1 3.32Å; I789-Q791 VanDerWaalsContact C-N 3.35Å; I789-Q791 PolarHBondContact O-N 3Å; I789-V792 PolarHBondContact O-N 3.31Å; I789-T793 VanDerWaalsContact O-CB 3.27Å; I789-T793 WeakPolarHBondContact O-CB 3.49Å; I789-T793 PolarHBondContact O-N 3.26Å; I789-T793 PolarHBondContact O-OG1 3.33Å |
| 790 | R | 88 | Confident | 83.8 | Confident | 74 Ų | 74 | 56.2 Ų | 56.2 | 28% | 0.279 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -57 | -46.2 | 175.7 | 170.3 | 170.8 | -177.7 | -161.8 | -0.1 | 111.7 | F767 E768 E786 T788 T793 L794 | F767-R790 HydrophobicContact CD1-CB 4.49Å; F767-R790 HydrophobicContact CD1-CG 4.09Å; F767-R790 PolarHBondContact O-NE 3.42Å; F767-R790 PolarHBondContact O-NH2 2.73Å; E768-R790 PolarHBondContact O-NH2 3.23Å; E786-R790 WeakPolarHBondContact O-CB 3.48Å; E786-R790 PolarHBondContact O-N 2.82Å; T788-R790 VanDerWaalsContact C-N 3.33Å; T788-R790 PolarHBondContact O-N 2.86Å; R790-T793 PolarHBondContact O-N 2.7Å; R790-L794 HydrophobicContact CG-CD1 4.29Å; R790-L794 WeakPolarHBondContact O-CG 3.45Å; R790-L794 PolarHBondContact O-N 3.37Å |
| 791 | Q | 90.2 | Very high | 85.1 | Confident | 120 Ų | 120 | 56.9 Ų | 56.9 | 56% | 0.561 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -63.9 | -46.5 | 179.1 | -174.1 | 176.8 | 5.5 | 0 | 0 | 112.3 | P787 T788 I789 T793 L794 Q795 | P787-Q791 PolarHBondContact O-N 3.22Å; T788-Q791 PolarHBondContact O-N 2.99Å; I789-Q791 VanDerWaalsContact C-N 3.35Å; I789-Q791 PolarHBondContact O-N 3Å; Q791-T793 VanDerWaalsContact C-N 3.29Å; Q791-T793 PolarHBondContact O-N 3.38Å; Q791-L794 PolarHBondContact O-N 3.45Å; Q791-Q795 WeakPolarHBondContact O-CG 3.39Å; Q791-Q795 PolarHBondContact O-N 2.95Å |
| 792 | V | 91.7 | Very high | 86.6 | Confident | 33 Ų | 33 | 57.9 Ų | 57.9 | 20% | 0.2 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.9 | -37.5 | 177.6 | 176.9 | 0 | 0 | 0 | 0 | 111.2 | V346 A351 T788 I789 Q795 S796 | V346-V792 HydrophobicContact CG1-CG1 3.42Å; V346-V792 VanDerWaalsContact CG1-CG1 3.42Å; A351-V792 HydrophobicContact CB-CB 4Å; A351-V792 HydrophobicContact CB-CG1 3.65Å; T788-V792 WeakPolarHBondContact O-CG2 3.09Å; T788-V792 PolarHBondContact O-N 3.47Å; T788-V792 VanDerWaalsContact O-N 3.11Å; I789-V792 PolarHBondContact O-N 3.31Å; V792-Q795 PolarHBondContact O-N 3.44Å; V792-S796 PolarHBondContact O-N 3.43Å; V792-S796 PolarHBondContact O-OG 3.37Å; V792-S796 VanDerWaalsContact O-OG 3.14Å |
| 793 | T | 90.9 | Very high | 87.8 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.6 | -45.7 | 175.9 | -58.5 | 0 | 0 | 0 | 0 | 111.1 | A351 L356 F767 I789 R790 Q791 Q795 S796 L797 | A351-T793 WeakPolarHBondContact CB-OG1 3.49Å; L356-T793 HydrophobicContact CD2-CG2 4.19Å; F767-T793 HydrophobicContact CD1-CG2 4.38Å; F767-T793 HydrophobicContact CD2-CG2 4.11Å; F767-T793 HydrophobicContact CE1-CG2 4.13Å; F767-T793 HydrophobicContact CE2-CG2 3.89Å; F767-T793 HydrophobicContact CG-CG2 4.38Å; F767-T793 HydrophobicContact CZ-CG2 3.9Å; I789-T793 VanDerWaalsContact O-CB 3.27Å; I789-T793 WeakPolarHBondContact O-CB 3.49Å; I789-T793 PolarHBondContact O-N 3.26Å; I789-T793 PolarHBondContact O-OG1 3.33Å; R790-T793 PolarHBondContact O-N 2.7Å; Q791-T793 VanDerWaalsContact C-N 3.29Å; Q791-T793 PolarHBondContact O-N 3.38Å; T793-Q795 PolarHBondContact O-N 3Å; T793-S796 PolarHBondContact O-N 2.88Å; T793-L797 HydrophobicContact CG2-CD1 4.03Å; T793-L797 WeakPolarHBondContact O-CG 3.45Å; T793-L797 PolarHBondContact O-N 3.32Å |
| 794 | L | 91.4 | Very high | 89 | Confident | 39 Ų | 39 | 52.2 Ų | 52.2 | 20% | 0.204 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59.6 | -44.2 | 175.8 | -80.6 | 170 | 0 | 0 | 0 | 112.1 | K764 F767 E768 R790 Q791 L797 Q798 | K764-L794 HydrophobicContact CG-CD2 4.24Å; F767-L794 HydrophobicContact CB-CD1 4.44Å; F767-L794 HydrophobicContact CB-CD2 3.48Å; F767-L794 VanDerWaalsContact CB-CD2 3.48Å; F767-L794 HydrophobicContact CB-CG 3.79Å; E768-L794 HydrophobicContact CB-CD2 4.17Å; R790-L794 HydrophobicContact CG-CD1 4.29Å; R790-L794 WeakPolarHBondContact O-CG 3.45Å; R790-L794 PolarHBondContact O-N 3.37Å; Q791-L794 PolarHBondContact O-N 3.45Å; L794-L797 PolarHBondContact O-N 3.02Å; L794-Q798 WeakPolarHBondContact O-CB 3.45Å; L794-Q798 PolarHBondContact O-N 3.32Å |
| 795 | Q | 93.1 | Very high | 90 | Very high | 106 Ų | 106 | 53.1 Ų | 53.1 | 50% | 0.495 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -60.5 | -47.2 | 175.8 | -73 | 175.2 | -14.9 | 0 | 0 | 111.4 | Q791 V792 T793 L797 Q798 S799 | Q791-Q795 WeakPolarHBondContact O-CG 3.39Å; Q791-Q795 PolarHBondContact O-N 2.95Å; V792-Q795 PolarHBondContact O-N 3.44Å; T793-Q795 PolarHBondContact O-N 3Å; Q795-L797 PolarHBondContact O-N 3.26Å; Q795-Q798 PolarHBondContact O-N 3.27Å; Q795-S799 PolarHBondContact O-N 2.79Å; Q795-S799 PolarHBondContact O-OG 2.82Å; Q795-S799 VanDerWaalsContact O-OG 3.07Å |
| 796 | S | 93.7 | Very high | 90.7 | Very high | 9 Ų | 9 | 48.1 Ų | 48.1 | 6% | 0.063 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.8 | -41.3 | 178.2 | -64.8 | 0 | 0 | 0 | 0 | 112.4 | A351 V792 T793 S799 I800 | A351-S796 VanDerWaalsContact O-CB 3.3Å; A351-S796 WeakPolarHBondContact O-CB 3.4Å; A351-S796 PolarHBondContact O-OG 3.47Å; V792-S796 PolarHBondContact O-N 3.43Å; V792-S796 PolarHBondContact O-OG 3.37Å; V792-S796 VanDerWaalsContact O-OG 3.14Å; T793-S796 PolarHBondContact O-N 2.88Å; S796-S799 PolarHBondContact O-N 2.87Å; S796-I800 VanDerWaalsContact O-CG1 3.31Å; S796-I800 WeakPolarHBondContact O-CG1 3.29Å; S796-I800 PolarHBondContact O-N 2.85Å |
| 797 | L | 93.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.8 | -44 | 174.5 | -72.6 | 166.7 | 0 | 0 | 0 | 111.8 | L356 F760 W763 K764 F767 T793 L794 Q795 S799 I800 L801 | L356-L797 HydrophobicContact CD1-CD2 3.81Å; L356-L797 HydrophobicContact CD1-CG 3.83Å; F760-L797 HydrophobicContact CB-CD2 4.35Å; F760-L797 HydrophobicContact CD1-CD2 3.95Å; W763-L797 HydrophobicContact CB-CD1 4.09Å; W763-L797 HydrophobicContact CB-CD2 4.1Å; W763-L797 HydrophobicContact CE3-CD2 4.11Å; K764-L797 HydrophobicContact CB-CB 4.28Å; K764-L797 HydrophobicContact CB-CD1 4.34Å; F767-L797 HydrophobicContact CD2-CD1 4.07Å; T793-L797 HydrophobicContact CG2-CD1 4.03Å; T793-L797 WeakPolarHBondContact O-CG 3.45Å; T793-L797 PolarHBondContact O-N 3.32Å; L794-L797 PolarHBondContact O-N 3.02Å; Q795-L797 PolarHBondContact O-N 3.26Å; L797-S799 VanDerWaalsContact C-N 3.34Å; L797-S799 PolarHBondContact O-N 2.95Å; L797-I800 PolarHBondContact O-N 2.86Å; L797-L801 WeakPolarHBondContact O-CG 3.34Å; L797-L801 PolarHBondContact O-N 2.95Å |
| 798 | Q | 94 | Very high | 91.2 | Very high | 101 Ų | 101 | 38.9 Ų | 38.9 | 47% | 0.472 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -62.6 | -41.3 | 176.5 | -174.6 | 174.1 | -0.1 | 0 | 0 | 111.7 | L794 Q795 L801 C802 | L794-Q798 WeakPolarHBondContact O-CB 3.45Å; L794-Q798 PolarHBondContact O-N 3.32Å; Q795-Q798 PolarHBondContact O-N 3.27Å; Q798-L801 PolarHBondContact O-N 2.87Å; Q798-C802 VanDerWaalsContact O-CB 3.31Å; Q798-C802 WeakPolarHBondContact O-CB 3.31Å; Q798-C802 PolarHBondContact O-N 3.21Å |
| 799 | S | 94.4 | Very high | 91.2 | Very high | 52 Ų | 52 | 39.8 Ų | 39.8 | 36% | 0.364 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -65.4 | -40.1 | 176.5 | -58.5 | 0 | 0 | 0 | 0 | 112.7 | L339 Q795 S796 L797 C803 | L339-S799 VanDerWaalsContact CD1-CB 3.46Å; Q795-S799 PolarHBondContact O-N 2.79Å; Q795-S799 PolarHBondContact O-OG 2.82Å; Q795-S799 VanDerWaalsContact O-OG 3.07Å; S796-S799 PolarHBondContact O-N 2.87Å; L797-S799 VanDerWaalsContact C-N 3.34Å; L797-S799 PolarHBondContact O-N 2.95Å; S799-C803 WeakPolarHBondContact O-CB 3.36Å; S799-C803 PolarHBondContact O-N 3.14Å |
| 800 | I | 93.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58.7 | -50.6 | 173.7 | -70.2 | 164.6 | 0 | 0 | 0 | 110.3 | L339 V353 L356 L753 F760 S796 L797 T804 | L339-I800 HydrophobicContact CD2-CG1 4.45Å; V353-I800 HydrophobicContact CB-CD1 4.3Å; V353-I800 HydrophobicContact CB-CG1 4.28Å; V353-I800 HydrophobicContact CG1-CD1 3.91Å; V353-I800 HydrophobicContact CG1-CG1 3.7Å; V353-I800 HydrophobicContact CG2-CD1 4.09Å; V353-I800 HydrophobicContact CG2-CG1 3.8Å; L356-I800 HydrophobicContact CB-CD1 4.21Å; L356-I800 HydrophobicContact CD1-CD1 3.89Å; L753-I800 HydrophobicContact CD2-CG2 4.14Å; F760-I800 HydrophobicContact CD1-CD1 4.33Å; F760-I800 HydrophobicContact CD1-CG2 4.49Å; F760-I800 HydrophobicContact CD2-CG2 3.95Å; F760-I800 HydrophobicContact CE1-CD1 4.19Å; F760-I800 HydrophobicContact CE2-CG2 4.15Å; F760-I800 HydrophobicContact CG-CG2 4.14Å; F760-I800 HydrophobicContact CZ-CG2 4.5Å; S796-I800 VanDerWaalsContact O-CG1 3.31Å; S796-I800 WeakPolarHBondContact O-CG1 3.29Å; S796-I800 PolarHBondContact O-N 2.85Å; L797-I800 PolarHBondContact O-N 2.86Å; I800-T804 VanDerWaalsContact O-CB 3.31Å; I800-T804 WeakPolarHBondContact O-CB 3.43Å; I800-T804 PolarHBondContact O-N 2.75Å; I800-T804 PolarHBondContact O-OG1 3.45Å |
| 801 | L | 93.4 | Very high | 90.9 | Very high | 15 Ų | 15 | 39 Ų | 39 | 8% | 0.079 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.7 | -51.1 | -178.3 | -70 | 171.9 | 0 | 0 | 0 | 111.1 | I757 F760 R761 K764 L797 Q798 C803 T804 Y805 | I757-L801 HydrophobicContact CG1-CD2 3.81Å; F760-L801 HydrophobicContact CB-CD2 4.06Å; R761-L801 HydrophobicContact CG-CD1 4.25Å; R761-L801 HydrophobicContact CG-CD2 3.82Å; K764-L801 HydrophobicContact CB-CD1 4.45Å; K764-L801 HydrophobicContact CD-CD1 3.78Å; L797-L801 WeakPolarHBondContact O-CG 3.34Å; L797-L801 PolarHBondContact O-N 2.95Å; Q798-L801 PolarHBondContact O-N 2.87Å; L801-C803 PolarHBondContact O-N 3.12Å; L801-T804 PolarHBondContact O-N 2.84Å; L801-Y805 HydrophobicContact CB-CE2 4.08Å; L801-Y805 HydrophobicContact CD2-CE2 4.4Å; L801-Y805 WeakPolarHBondContact O-CD2 3.26Å; L801-Y805 PolarHBondContact O-N 3.1Å |
| 802 | C | 93.7 | Very high | 90.3 | Very high | 76 Ų | 76 | 34.8 Ų | 34.8 | 51% | 0.514 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -58.1 | -50.8 | 179.6 | -174.4 | 0 | 0 | 0 | 0 | 111.8 | Q798 T804 Y805 T806 | Q798-C802 VanDerWaalsContact O-CB 3.31Å; Q798-C802 WeakPolarHBondContact O-CB 3.31Å; Q798-C802 PolarHBondContact O-N 3.21Å; C802-T804 VanDerWaalsContact C-N 3.32Å; C802-T804 PolarHBondContact O-N 3.34Å; C802-Y805 PolarHBondContact O-N 2.9Å; C802-T806 PolarHBondContact O-N 3.11Å; C802-T806 PolarHBondContact O-OG1 3.17Å |
| 803 | C | 93.7 | Very high | 89.9 | Confident | 8 Ų | 8 | 38.4 Ų | 38.4 | 5% | 0.054 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60 | -42.3 | 179.4 | -178.3 | 0 | 0 | 0 | 0 | 112.1 | L336 L339 S799 L801 T806 L807 | L336-C803 WeakPolarHBondContact CA-SG 3.43Å; L336-C803 PolarHBondContact N-SG 2.7Å; L339-C803 HydrophobicContact CD2-CB 3.94Å; S799-C803 WeakPolarHBondContact O-CB 3.36Å; S799-C803 PolarHBondContact O-N 3.14Å; L801-C803 PolarHBondContact O-N 3.12Å; C803-T806 PolarHBondContact O-N 2.88Å; C803-L807 PolarHBondContact O-N 2.94Å; C803-L807 VanDerWaalsContact O-N 3.07Å |
| 804 | T | 91.9 | Very high | 89.3 | Confident | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.006 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.7 | -43 | 179.8 | -54.2 | 0 | 0 | 0 | 0 | 111.5 | H750 L753 L754 I757 I800 L801 C802 E808 | H750-T804 PolarHBondContact CE1-O 3.05Å; L753-T804 HydrophobicContact CB-CG2 4.31Å; L754-T804 HydrophobicContact CB-CG2 3.99Å; L754-T804 HydrophobicContact CD1-CG2 4.05Å; I757-T804 HydrophobicContact CD1-CG2 3.89Å; I800-T804 VanDerWaalsContact O-CB 3.31Å; I800-T804 WeakPolarHBondContact O-CB 3.43Å; I800-T804 PolarHBondContact O-N 2.75Å; I800-T804 PolarHBondContact O-OG1 3.45Å; L801-T804 PolarHBondContact O-N 2.84Å; C802-T804 VanDerWaalsContact C-N 3.32Å; C802-T804 PolarHBondContact O-N 3.34Å; T804-E808 WeakPolarHBondContact O-CB 3.39Å; T804-E808 PolarHBondContact O-N 2.83Å; T804-E808 VanDerWaalsContact O-N 3.07Å |
| 805 | Y | 90 | Very high | 88.4 | Confident | 45 Ų | 45 | 39.1 Ų | 39.1 | 18% | 0.176 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.4 | -43.4 | 176.4 | -69.4 | -51.7 | 0 | 0 | 0 | 113.1 | I757 R761 L801 C802 L807 E808 E809 A853 | I757-Y805 HydrophobicContact CD1-CD1 3.96Å; I757-Y805 HydrophobicContact CD1-CE1 3.24Å; I757-Y805 HydrophobicContact CD1-CE2 4.31Å; I757-Y805 VanDerWaalsContact CD1-CZ 3.41Å; I757-Y805 VanDerWaalsContact CD1-OH 3.32Å; I757-Y805 WeakPolarHBondContact CD1-OH 3.44Å; I757-Y805 HydrophobicContact CG1-CE1 4.27Å; I757-Y805 WeakPolarHBondContact CG1-OH 3.22Å; R761-Y805 PolarHBondContact NE-OH 3.32Å; R761-Y805 PolarHBondContact NH2-OH 3.25Å; L801-Y805 HydrophobicContact CB-CE2 4.08Å; L801-Y805 HydrophobicContact CD2-CE2 4.4Å; L801-Y805 WeakPolarHBondContact O-CD2 3.26Å; L801-Y805 PolarHBondContact O-N 3.1Å; C802-Y805 PolarHBondContact O-N 2.9Å; Y805-L807 VanDerWaalsContact C-N 3.33Å; Y805-L807 PolarHBondContact O-N 3.01Å; Y805-E808 PolarHBondContact O-N 2.65Å; Y805-E809 WeakPolarHBondContact O-CB 3.42Å; Y805-E809 PolarHBondContact O-N 2.9Å; Y805-A853 HydrophobicContact CD1-CB 3.47Å; Y805-A853 VanDerWaalsContact CD1-CB 3.47Å; Y805-A853 HydrophobicContact CE1-CB 3.32Å; Y805-A853 HydrophobicContact CG-CB 4.26Å |
| 806 | T | 90.5 | Very high | 87.4 | Confident | 27 Ų | 27 | 36.8 Ų | 36.8 | 17% | 0.166 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.3 | -40.5 | -179.9 | -58.2 | 0 | 0 | 0 | 0 | 111.5 | E335 C802 C803 E809 K810 | E335-T806 WeakPolarHBondContact OE2-CG2 3.47Å; C802-T806 PolarHBondContact O-N 3.11Å; C802-T806 PolarHBondContact O-OG1 3.17Å; C803-T806 PolarHBondContact O-N 2.88Å; T806-E809 PolarHBondContact O-N 2.88Å; T806-K810 HydrophobicContact CG2-CD 4.33Å; T806-K810 WeakPolarHBondContact O-CD 3.34Å; T806-K810 VanDerWaalsContact O-CG 3.3Å; T806-K810 WeakPolarHBondContact O-CG 3.38Å; T806-K810 PolarHBondContact O-N 2.97Å; T806-K810 VanDerWaalsContact O-N 3.11Å |
| 807 | L | 89.2 | Confident | 86.6 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65.4 | -41.6 | 174.5 | -80.9 | 176.8 | 0 | 0 | 0 | 112.5 | H332 Y333 L336 H750 C803 Y805 E809 K810 H811 | H332-L807 HydrophobicContact CB-CD2 4.48Å; H332-L807 WeakPolarHBondContact O-CD2 3.36Å; Y333-L807 HydrophobicContact CD1-CD1 4.25Å; Y333-L807 HydrophobicContact CD1-CD2 4Å; Y333-L807 HydrophobicContact CE1-CD2 4.39Å; L336-L807 HydrophobicContact CB-CD1 3.82Å; L336-L807 HydrophobicContact CD2-CD1 3.94Å; L336-L807 HydrophobicContact CG-CD1 4.46Å; H750-L807 HydrophobicContact CB-CD1 4.21Å; H750-L807 VanDerWaalsContact CE1-CB 3.49Å; H750-L807 WeakPolarHBondContact CE1-CB 3.29Å; C803-L807 PolarHBondContact O-N 2.94Å; C803-L807 VanDerWaalsContact O-N 3.07Å; Y805-L807 VanDerWaalsContact C-N 3.33Å; Y805-L807 PolarHBondContact O-N 3.01Å; L807-E809 VanDerWaalsContact C-N 3.34Å; L807-E809 PolarHBondContact O-N 3.03Å; L807-K810 HydrophobicContact CD2-CD 4.43Å; L807-K810 WeakPolarHBondContact O-CB 3.28Å; L807-K810 PolarHBondContact O-N 3.14Å; L807-H811 PolarHBondContact O-CD2 2.94Å; L807-H811 PolarHBondContact O-N 3.33Å |
| 808 | E | 86 | Confident | 85.4 | Confident | 11 Ų | 11 | 42.5 Ų | 42.5 | 5% | 0.051 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.8 | -39.9 | 177.4 | -177.8 | 57.7 | -151 | 0 | 0 | 111.8 | H750 L754 T804 Y805 K810 H811 S812 Y846 | H750-E808 IonicContact NE2-OE2 2.85Å; L754-E808 VanDerWaalsContact CD2-OE2 3.3Å; L754-E808 WeakPolarHBondContact CD2-OE2 3.23Å; T804-E808 WeakPolarHBondContact O-CB 3.39Å; T804-E808 PolarHBondContact O-N 2.83Å; T804-E808 VanDerWaalsContact O-N 3.07Å; Y805-E808 PolarHBondContact O-N 2.65Å; E808-K810 PolarHBondContact O-N 3.49Å; E808-H811 WeakPolarHBondContact O-CB 3.29Å; E808-H811 PolarHBondContact O-N 3.32Å; E808-S812 PolarHBondContact O-N 3.36Å; E808-Y846 WeakPolarHBondContact OE1-CB 3.35Å; E808-Y846 WeakPolarHBondContact OE1-CD1 3.43Å |
| 809 | E | 85.2 | Confident | 84 | Confident | 111 Ų | 111 | 39.4 Ų | 39.4 | 52% | 0.519 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -61.2 | -43.5 | 173.8 | -175.5 | 174.2 | -167.3 | 0 | 0 | 111.6 | Y805 T806 L807 S812 L813 R856 | Y805-E809 WeakPolarHBondContact O-CB 3.42Å; Y805-E809 PolarHBondContact O-N 2.9Å; T806-E809 PolarHBondContact O-N 2.88Å; L807-E809 VanDerWaalsContact C-N 3.34Å; L807-E809 PolarHBondContact O-N 3.03Å; E809-S812 PolarHBondContact O-N 2.82Å; E809-L813 WeakPolarHBondContact O-CB 3.22Å; E809-L813 PolarHBondContact O-N 3.16Å; E809-R856 IonicContact OE2-NH2 2.82Å |
| 810 | K | 87.2 | Confident | 82.9 | Confident | 52 Ų | 52 | 44.6 Ų | 44.6 | 23% | 0.226 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.9 | -42.6 | 175.4 | -72 | 163.7 | 177.9 | 169.9 | 0 | 111.8 | L328 H332 E335 T806 L807 E808 L813 A814 | L328-K810 HydrophobicContact CD1-CB 4.09Å; H332-K810 HydrophobicContact CB-CD 4.28Å; E335-K810 IonicContact OE1-NZ 2.7Å; E335-K810 PolarHBondContact OE1-NZ 3.17Å; E335-K810 IonicContact OE2-NZ 3.8Å; T806-K810 HydrophobicContact CG2-CD 4.33Å; T806-K810 WeakPolarHBondContact O-CD 3.34Å; T806-K810 VanDerWaalsContact O-CG 3.3Å; T806-K810 WeakPolarHBondContact O-CG 3.38Å; T806-K810 PolarHBondContact O-N 2.97Å; T806-K810 VanDerWaalsContact O-N 3.11Å; L807-K810 HydrophobicContact CD2-CD 4.43Å; L807-K810 WeakPolarHBondContact O-CB 3.28Å; L807-K810 PolarHBondContact O-N 3.14Å; E808-K810 PolarHBondContact O-N 3.49Å; K810-L813 PolarHBondContact O-N 3.17Å; K810-A814 WeakPolarHBondContact O-CB 3.46Å; K810-A814 PolarHBondContact O-N 2.88Å |
| 811 | H | 82.8 | Confident | 81.6 | Confident | 13 Ų | 13 | 52.3 Ų | 52.3 | 6% | 0.06 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.9 | -48 | 174 | -89.5 | -66.2 | 0 | 0 | 0 | 112.2 | H326 L328 E747 H750 L807 E808 L813 A814 L815 | H326-H811 PolarHBondContact O-CE1 2.98Å; L328-H811 VanDerWaalsContact CG-CE1 3.42Å; L328-H811 WeakPolarHBondContact CG-CE1 3.25Å; E747-H811 IonicContact OE1-CE1 2.97Å; E747-H811 IonicContact OE1-NE2 3.83Å; E747-H811 PolarHBondContact OE1-NE2 2.69Å; E747-H811 IonicContact OE2-CE1 2.8Å; E747-H811 PolarHBondContact OE2-CE1 3.27Å; E747-H811 IonicContact OE2-NE2 2.67Å; E747-H811 PolarHBondContact OE2-NE2 2.61Å; H750-H811 AromaticContact CD2-CD2 3.96Å; H750-H811 AromaticContact CD2-NE2 3.85Å; H750-H811 AromaticContact NE2-CD2 3.72Å; L807-H811 PolarHBondContact O-CD2 2.94Å; L807-H811 PolarHBondContact O-N 3.33Å; E808-H811 WeakPolarHBondContact O-CB 3.29Å; E808-H811 PolarHBondContact O-N 3.32Å; H811-L813 PolarHBondContact O-N 2.95Å; H811-A814 PolarHBondContact O-N 3.03Å; H811-L815 WeakPolarHBondContact O-CG 3.45Å; H811-L815 PolarHBondContact O-N 3.41Å |
| 812 | S | 77.5 | Confident | 80.2 | Confident | 32 Ų | 32 | 52.7 Ų | 52.7 | 22% | 0.224 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -58.3 | -46.6 | 177.2 | -175.3 | 0 | 0 | 0 | 0 | 111.6 | E808 E809 A814 L815 V816 | E808-S812 PolarHBondContact O-N 3.36Å; E809-S812 PolarHBondContact O-N 2.82Å; S812-A814 PolarHBondContact O-N 3.38Å; S812-L815 PolarHBondContact O-N 3.3Å; S812-V816 WeakPolarHBondContact O-CG2 3.38Å; S812-V816 PolarHBondContact O-N 2.63Å |
| 813 | L | 83.3 | Confident | 78.9 | Confident | 109 Ų | 109 | 57 Ų | 57 | 57% | 0.571 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -62.3 | -43.5 | 177.7 | -162.3 | 102 | 0 | 0 | 0 | 112 | E809 K810 H811 L815 V816 N817 | E809-L813 WeakPolarHBondContact O-CB 3.22Å; E809-L813 PolarHBondContact O-N 3.16Å; K810-L813 PolarHBondContact O-N 3.17Å; H811-L813 PolarHBondContact O-N 2.95Å; L813-L815 PolarHBondContact O-N 3.36Å; L813-V816 PolarHBondContact O-N 3.15Å; L813-N817 WeakPolarHBondContact O-CB 3.38Å; L813-N817 VanDerWaalsContact O-CG 3.28Å; L813-N817 PolarHBondContact O-N 3.48Å; L813-N817 PolarHBondContact O-ND2 3.44Å |
| 814 | A | 77.5 | Confident | 77.8 | Confident | 39 Ų | 39 | 61.6 Ų | 61.6 | 32% | 0.322 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61.7 | -43.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | L328 K810 H811 S812 N817 H818 | L328-A814 HydrophobicContact CD2-CB 3.72Å; K810-A814 WeakPolarHBondContact O-CB 3.46Å; K810-A814 PolarHBondContact O-N 2.88Å; H811-A814 PolarHBondContact O-N 3.03Å; S812-A814 PolarHBondContact O-N 3.38Å; A814-N817 PolarHBondContact O-N 3.11Å; A814-H818 WeakPolarHBondContact O-CB 3.21Å; A814-H818 PolarHBondContact O-N 3.01Å |
| 815 | L | 71.6 | Confident | 76.7 | Confident | 14 Ų | 14 | 62 Ų | 62 | 7% | 0.073 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63.4 | -47.7 | 175 | -71.4 | 172.2 | 0 | 0 | 0 | 111.3 | H811 S812 L813 N817 H818 F819 L839 L843 Y846 | H811-L815 WeakPolarHBondContact O-CG 3.45Å; H811-L815 PolarHBondContact O-N 3.41Å; S812-L815 PolarHBondContact O-N 3.3Å; L813-L815 PolarHBondContact O-N 3.36Å; L815-N817 VanDerWaalsContact C-N 3.32Å; L815-N817 PolarHBondContact O-N 3.42Å; L815-H818 WeakPolarHBondContact O-CB 3.23Å; L815-H818 PolarHBondContact O-N 2.97Å; L815-F819 WeakPolarHBondContact O-CD2 3.47Å; L815-F819 PolarHBondContact O-N 3.27Å; L815-L839 HydrophobicContact CD2-CD2 3.52Å; L815-L839 HydrophobicContact CD2-CG 4.24Å; L815-L843 HydrophobicContact CB-CD1 4.39Å; L815-L843 HydrophobicContact CB-CD2 3.61Å; L815-L843 HydrophobicContact CB-CG 4.06Å; L815-L843 HydrophobicContact CD1-CD2 3.86Å; L815-L843 HydrophobicContact CD1-CG 4.19Å; L815-L843 HydrophobicContact CG-CD2 4.41Å; L815-Y846 HydrophobicContact CD1-CD2 4.28Å; L815-Y846 HydrophobicContact CD1-CE2 4.42Å |
| 816 | V | 73.9 | Confident | 76 | Confident | 57 Ų | 57 | 61.3 Ų | 61.3 | 35% | 0.345 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -58.2 | -43.8 | 177.1 | 169.9 | 0 | 0 | 0 | 0 | 111.4 | S812 L813 F819 K820 L843 | S812-V816 WeakPolarHBondContact O-CG2 3.38Å; S812-V816 PolarHBondContact O-N 2.63Å; L813-V816 PolarHBondContact O-N 3.15Å; V816-F819 PolarHBondContact O-N 3.36Å; V816-K820 HydrophobicContact CG1-CD 4.41Å; V816-K820 WeakPolarHBondContact O-CG 3.27Å; V816-K820 PolarHBondContact O-N 2.98Å; V816-L843 HydrophobicContact CG2-CD2 4.37Å |
| 817 | N | 75.5 | Confident | 75.2 | Confident | 65 Ų | 65 | 64.7 Ų | 64.7 | 35% | 0.348 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -64.9 | -40.2 | 177.2 | -73.1 | -22.5 | 0 | 0 | 0 | 112.1 | L813 A814 L815 F819 K820 Q821 | L813-N817 WeakPolarHBondContact O-CB 3.38Å; L813-N817 VanDerWaalsContact O-CG 3.28Å; L813-N817 PolarHBondContact O-N 3.48Å; L813-N817 PolarHBondContact O-ND2 3.44Å; A814-N817 PolarHBondContact O-N 3.11Å; L815-N817 VanDerWaalsContact C-N 3.32Å; L815-N817 PolarHBondContact O-N 3.42Å; N817-F819 VanDerWaalsContact C-N 3.35Å; N817-F819 PolarHBondContact O-N 3.4Å; N817-K820 PolarHBondContact O-N 3.02Å; N817-Q821 WeakPolarHBondContact O-CG 3.46Å; N817-Q821 PolarHBondContact O-N 2.89Å; N817-Q821 VanDerWaalsContact O-N 3.12Å |
| 818 | H | 67.9 | Low | 74.1 | Confident | 65 Ų | 65 | 70.6 Ų | 70.6 | 30% | 0.301 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -59.2 | -45.8 | 173 | -176.6 | 68.9 | 0 | 0 | 0 | 111.3 | A814 L815 K820 Q821 V822 | A814-H818 WeakPolarHBondContact O-CB 3.21Å; A814-H818 PolarHBondContact O-N 3.01Å; L815-H818 WeakPolarHBondContact O-CB 3.23Å; L815-H818 PolarHBondContact O-N 2.97Å; H818-K820 VanDerWaalsContact C-N 3.3Å; H818-K820 PolarHBondContact O-N 3.4Å; H818-Q821 PolarHBondContact O-N 2.92Å; H818-V822 WeakPolarHBondContact O-CG2 3.3Å; H818-V822 PolarHBondContact O-N 3.17Å; H818-V822 VanDerWaalsContact O-N 3.17Å |
| 819 | F | 65.7 | Low | 73.3 | Confident | 36 Ų | 36 | 70.8 Ų | 70.8 | 16% | 0.158 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -67.8 | -25.2 | 177.4 | -75.2 | -66.3 | 0 | 0 | 0 | 114.5 | L815 V816 N817 Y836 L839 R840 L843 | L815-F819 WeakPolarHBondContact O-CD2 3.47Å; L815-F819 PolarHBondContact O-N 3.27Å; V816-F819 PolarHBondContact O-N 3.36Å; N817-F819 VanDerWaalsContact C-N 3.35Å; N817-F819 PolarHBondContact O-N 3.4Å; F819-Y836 AromaticContact CD1-CD2 3.94Å; F819-Y836 HydrophobicContact CD1-CD2 3.94Å; F819-Y836 AromaticContact CD1-CE2 3.37Å; F819-Y836 HydrophobicContact CD1-CE2 3.37Å; F819-Y836 AromaticContact CD1-CZ 3.96Å; F819-Y836 AromaticContact CE1-CD2 3.57Å; F819-Y836 HydrophobicContact CE1-CD2 3.57Å; F819-Y836 AromaticContact CE1-CE2 3.41Å; F819-Y836 HydrophobicContact CE1-CE2 3.41Å; F819-Y836 VanDerWaalsContact CE1-CE2 3.41Å; F819-Y836 HydrophobicContact CE1-CG 4.27Å; F819-Y836 AromaticContact CE1-CZ 3.95Å; F819-L839 HydrophobicContact CE1-CD2 4.18Å; F819-L839 HydrophobicContact CE2-CD2 3.49Å; F819-L839 VanDerWaalsContact CE2-CD2 3.49Å; F819-L839 HydrophobicContact CZ-CB 3.81Å; F819-L839 HydrophobicContact CZ-CD2 3.3Å; F819-L839 HydrophobicContact CZ-CG 4.15Å; F819-R840 HydrophobicContact CE1-CB 4.36Å; F819-R840 HydrophobicContact CZ-CB 4.06Å; F819-L843 HydrophobicContact CD2-CD1 3.33Å; F819-L843 HydrophobicContact CD2-CG 4.45Å; F819-L843 HydrophobicContact CE2-CD1 3.19Å; F819-L843 HydrophobicContact CE2-CG 3.98Å; F819-L843 HydrophobicContact CG-CD1 4.47Å; F819-L843 HydrophobicContact CZ-CD1 4.24Å |
| 820 | K | 71.3 | Confident | 72.5 | Confident | 160 Ų | 160 | 65.5 Ų | 65.5 | 70% | 0.696 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -73.1 | -36.4 | 172.8 | -74.8 | 175.8 | -179.6 | 176 | 0 | 112.3 | V816 N817 H818 | V816-K820 HydrophobicContact CG1-CD 4.41Å; V816-K820 WeakPolarHBondContact O-CG 3.27Å; V816-K820 PolarHBondContact O-N 2.98Å; N817-K820 PolarHBondContact O-N 3.02Å; H818-K820 VanDerWaalsContact C-N 3.3Å; H818-K820 PolarHBondContact O-N 3.4Å |
| 821 | Q | 65.7 | Low | 71.8 | Confident | 162 Ų | 162 | 65 Ų | 65 | 76% | 0.757 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -78.7 | -28.5 | -176.7 | -71.5 | 177.4 | -0.8 | 0 | 0 | 112.9 | N817 H818 | N817-Q821 WeakPolarHBondContact O-CG 3.46Å; N817-Q821 PolarHBondContact O-N 2.89Å; N817-Q821 VanDerWaalsContact O-N 3.12Å; H818-Q821 PolarHBondContact O-N 2.92Å |
| 822 | V | 63.8 | Low | 70.9 | Confident | 23 Ų | 23 | 65.2 Ų | 65.2 | 14% | 0.139 | 33% | 0.331 | C | S | . | . | trans | -108 | 117.5 | -176.2 | -153 | 0 | 0 | 0 | 0 | 112.8 | H818 D828 L829 | H818-V822 WeakPolarHBondContact O-CG2 3.3Å; H818-V822 PolarHBondContact O-N 3.17Å; H818-V822 VanDerWaalsContact O-N 3.17Å; V822-D828 HydrophobicContact CG1-CB 4.02Å; V822-L829 HydrophobicContact CB-CD1 3.36Å; V822-L829 HydrophobicContact CB-CG 4.45Å; V822-L829 HydrophobicContact CG1-CB 3.58Å; V822-L829 HydrophobicContact CG1-CD1 3.2Å; V822-L829 HydrophobicContact CG1-CG 3.77Å; V822-L829 HydrophobicContact CG2-CD1 4.08Å | ||
| 823 | K | 67 | Low | 70.2 | Confident | 168 Ų | 168 | 64.9 Ų | 64.9 | 73% | 0.73 | 33% | 0.326 | S | S | * | . | trans | -84.5 | 127 | 175.8 | -168.7 | 177.1 | -178 | -180 | 0 | 110.4 | G825 S826 | K823-G825 PolarHBondContact O-N 2.69Å; K823-S826 WeakPolarHBondContact O-CB 3.26Å; K823-S826 PolarHBondContact O-N 2.84Å; K823-S826 PolarHBondContact O-OG 3.29Å; K823-S826 VanDerWaalsContact O-OG 3.04Å | ||
| 824 | Y | 69.9 | Low | 68.9 | Low | 103 Ų | 103 | 62.3 Ų | 62.3 | 40% | 0.404 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | 127.9 | 173.1 | -171 | -104.7 | 0 | 0 | 0 | 110.5 | I831 Y836 | Y824-I831 HydrophobicContact CD1-CG1 4.19Å; Y824-I831 HydrophobicContact CE1-CB 4.37Å; Y824-I831 HydrophobicContact CE1-CD1 4.42Å; Y824-I831 HydrophobicContact CE1-CG1 3.79Å; Y824-I831 HydrophobicContact CE1-CG2 4.21Å; Y824-Y836 HydrophobicContact CD2-CD1 4.25Å; Y824-Y836 HydrophobicContact CD2-CG 4.28Å |
| 825 | G | 69.2 | Low | 67.8 | Low | 10 Ų | 10 | 62.2 Ų | 62.2 | 10% | 0.103 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 88 | 4.2 | -171.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | W284 K823 L829 | W284-G825 PolarHBondContact N-O 3.04Å; K823-G825 PolarHBondContact O-N 2.69Å; G825-L829 WeakPolarHBondContact CA-O 3.49Å; G825-L829 PolarHBondContact N-O 3.21Å |
| 826 | S | 75.3 | Confident | 67.2 | Low | 31 Ų | 31 | 63.5 Ų | 63.5 | 22% | 0.217 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -73.9 | 169.8 | 167.5 | 77.6 | 0 | 0 | 0 | 0 | 111.8 | W284 K823 D828 L829 P830 | W284-S826 WeakPolarHBondContact CB-O 3.29Å; K823-S826 WeakPolarHBondContact O-CB 3.26Å; K823-S826 PolarHBondContact O-N 2.84Å; K823-S826 PolarHBondContact O-OG 3.29Å; K823-S826 VanDerWaalsContact O-OG 3.04Å; S826-D828 PolarHBondContact O-N 3.31Å; S826-D828 PolarHBondContact OG-N 3.19Å; S826-L829 PolarHBondContact N-O 2.69Å; S826-L829 CarbonylContact O-C 3.37Å; S826-L829 PolarHBondContact O-N 2.87Å; S826-L829 PolarHBondContact OG-N 2.92Å; S826-L829 VanDerWaalsContact OG-N 3.15Å; S826-P830 WeakPolarHBondContact O-CA 3.37Å |
| 827 | K | 74.1 | Confident | 66.3 | Low | 97 Ų | 97 | 65.4 Ų | 65.4 | 42% | 0.422 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -60.6 | -29.8 | 175.6 | -169.7 | 176.3 | 178.5 | 178.6 | 0 | 112.8 | K135 W284 | K135-K827 PolarHBondContact NZ-O 2.82Å; W284-K827 VanDerWaalsContact CD1-N 3.27Å; W284-K827 HydrophobicContact CD2-CB 4.03Å; W284-K827 HydrophobicContact CD2-CG 4.03Å; W284-K827 HydrophobicContact CE3-CG 4.35Å; W284-K827 HydrophobicContact CG-CB 4.13Å; W284-K827 HydrophobicContact CH2-CD 4.15Å; W284-K827 HydrophobicContact CH2-CG 4.26Å; W284-K827 HydrophobicContact CZ2-CB 4.26Å; W284-K827 HydrophobicContact CZ2-CD 3.83Å; W284-K827 HydrophobicContact CZ2-CG 3.94Å; W284-K827 HydrophobicContact CZ3-CG 4.46Å |
| 828 | D | 66.8 | Low | 65.4 | Low | 125 Ų | 125 | 66.1 Ų | 66.1 | 67% | 0.668 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -84.3 | -24.7 | -179.8 | -55.4 | -46.4 | 0 | 0 | 0 | 112.3 | V822 S826 | V822-D828 HydrophobicContact CG1-CB 4.02Å; S826-D828 PolarHBondContact O-N 3.31Å; S826-D828 PolarHBondContact OG-N 3.19Å |
| 829 | L | 67.5 | Low | 64.9 | Low | 14 Ų | 14 | 63.7 Ų | 63.7 | 7% | 0.073 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -133.9 | 70.2 | 174.1 | -104.1 | 156.3 | 0 | 0 | 0 | 111.5 | V822 G825 S826 Y836 | V822-L829 HydrophobicContact CB-CD1 3.36Å; V822-L829 HydrophobicContact CB-CG 4.45Å; V822-L829 HydrophobicContact CG1-CB 3.58Å; V822-L829 HydrophobicContact CG1-CD1 3.2Å; V822-L829 HydrophobicContact CG1-CG 3.77Å; V822-L829 HydrophobicContact CG2-CD1 4.08Å; G825-L829 WeakPolarHBondContact CA-O 3.49Å; G825-L829 PolarHBondContact N-O 3.21Å; S826-L829 PolarHBondContact N-O 2.69Å; S826-L829 CarbonylContact O-C 3.37Å; S826-L829 PolarHBondContact O-N 2.87Å; S826-L829 PolarHBondContact OG-N 2.92Å; S826-L829 VanDerWaalsContact OG-N 3.15Å; L829-Y836 HydrophobicContact CD1-CD2 3.99Å; L829-Y836 HydrophobicContact CD2-CD2 3.84Å; L829-Y836 HydrophobicContact CD2-CG 4.14Å |
| 830 | P | 69.3 | Low | 64.7 | Low | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 33% | 0.327 | C | S | . | . | trans | -60.7 | 146.6 | 177.7 | -15.3 | 24.5 | 0 | 0 | 0 | 111.9 | K135 W284 Y286 S826 G832 D833 | K135-P830 HydrophobicContact CD-CG 3.77Å; K135-P830 HydrophobicContact CG-CG 4.15Å; W284-P830 HydrophobicContact CB-CB 3.91Å; W284-P830 HydrophobicContact CB-CG 4.27Å; W284-P830 CarbonylContact O-C 3.5Å; W284-P830 VanDerWaalsContact O-CA 3.27Å; W284-P830 WeakPolarHBondContact O-CA 3.48Å; Y286-P830 HydrophobicContact CD1-CG 4.47Å; Y286-P830 HydrophobicContact CD2-CB 3.44Å; Y286-P830 VanDerWaalsContact CD2-CB 3.44Å; Y286-P830 HydrophobicContact CD2-CG 3.55Å; Y286-P830 HydrophobicContact CE1-CG 4.26Å; Y286-P830 HydrophobicContact CE2-CB 3.77Å; Y286-P830 HydrophobicContact CE2-CG 3.31Å; Y286-P830 HydrophobicContact CG-CB 3.98Å; Y286-P830 HydrophobicContact CG-CG 4.14Å; S826-P830 WeakPolarHBondContact O-CA 3.37Å; P830-G832 PolarHBondContact O-N 2.78Å; P830-D833 WeakPolarHBondContact O-CB 3.42Å; P830-D833 PolarHBondContact O-N 2.97Å; P830-D833 VanDerWaalsContact O-N 3.14Å | ||
| 831 | I | 72.4 | Confident | 64 | Low | 43 Ų | 43 | 63 Ų | 63 | 22% | 0.221 | 31% | 0.313 | C | S | . | . | B | Isolated β-bridge | trans | -59.1 | 131 | 171.8 | -58.5 | 178.8 | 0 | 0 | 0 | 108.7 | A283 W284 Y285 Y286 Y824 | A283-I831 HydrophobicContact CB-CD1 3.64Å; A283-I831 HydrophobicContact CB-CG1 4.44Å; W284-I831 PolarHBondContact O-N 3.17Å; Y285-I831 WeakPolarHBondContact CA-O 3.15Å; Y285-I831 HydrophobicContact CD1-CB 3.63Å; Y285-I831 HydrophobicContact CD1-CD1 4.38Å; Y285-I831 HydrophobicContact CD1-CG1 4.49Å; Y285-I831 HydrophobicContact CD1-CG2 3.82Å; Y285-I831 HydrophobicContact CE1-CB 3.77Å; Y285-I831 HydrophobicContact CE1-CD1 3.69Å; Y285-I831 HydrophobicContact CE1-CG1 4.26Å; Y285-I831 HydrophobicContact CE1-CG2 3.75Å; Y285-I831 HydrophobicContact CG-CB 4.36Å; Y286-I831 PolarHBondContact N-O 2.74Å; Y824-I831 HydrophobicContact CD1-CG1 4.19Å; Y824-I831 HydrophobicContact CE1-CB 4.37Å; Y824-I831 HydrophobicContact CE1-CD1 4.42Å; Y824-I831 HydrophobicContact CE1-CG1 3.79Å; Y824-I831 HydrophobicContact CE1-CG2 4.21Å |
| 832 | G | 63.6 | Low | 63.6 | Low | 17 Ų | 17 | 58.4 Ų | 58.4 | 18% | 0.175 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 98.7 | 0.6 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | P830 | P830-G832 PolarHBondContact O-N 2.78Š|
| 833 | D | 62.6 | Low | 63.3 | Low | 24 Ų | 24 | 58.7 Ų | 58.7 | 13% | 0.128 | 29% | 0.289 | C | S | . | . | trans | -85.1 | 98.1 | 164.1 | -158.4 | -21.8 | 0 | 0 | 0 | 111.4 | Y286 P830 N835 Y836 | Y286-D833 HydrophobicContact CD2-CB 3.67Å; Y286-D833 HydrophobicContact CE2-CB 3.56Å; Y286-D833 WeakPolarHBondContact CE2-OD2 3.49Å; P830-D833 WeakPolarHBondContact O-CB 3.42Å; P830-D833 PolarHBondContact O-N 2.97Å; P830-D833 VanDerWaalsContact O-N 3.14Å; D833-N835 PolarHBondContact O-N 2.86Å; D833-N835 WeakPolarHBondContact OD1-CB 3.41Å; D833-N835 VanDerWaalsContact OD1-CG 3.28Å; D833-N835 PolarHBondContact OD1-N 3.1Å; D833-N835 VanDerWaalsContact OD1-N 3.1Å; D833-N835 PolarHBondContact OD1-ND2 3.21Å; D833-Y836 PolarHBondContact O-N 2.86Å | ||
| 834 | D | 56.7 | Low | 62.9 | Low | 55 Ų | 55 | 59.4 Ų | 59.4 | 29% | 0.294 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -4.2 | -179.9 | -66.3 | -18.5 | 0 | 0 | 0 | 112.8 | Y836 L837 L838 | D834-Y836 PolarHBondContact O-N 2.94Å; D834-L837 PolarHBondContact O-N 3.46Å; D834-L838 PolarHBondContact O-N 2.71Å; D834-L838 VanDerWaalsContact O-N 3.14Å |
| 835 | N | 54.5 | Low | 62.2 | Low | 38 Ų | 38 | 62.2 Ų | 62.2 | 20% | 0.203 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -58.1 | -35.3 | 172 | -68 | -56.4 | 0 | 0 | 0 | 110.5 | K91 D833 L837 L838 L839 | K91-N835 WeakPolarHBondContact CE-OD1 3.19Å; K91-N835 PolarHBondContact NZ-OD1 2.78Å; D833-N835 PolarHBondContact O-N 2.86Å; D833-N835 WeakPolarHBondContact OD1-CB 3.41Å; D833-N835 VanDerWaalsContact OD1-CG 3.28Å; D833-N835 PolarHBondContact OD1-N 3.1Å; D833-N835 VanDerWaalsContact OD1-N 3.1Å; D833-N835 PolarHBondContact OD1-ND2 3.21Å; N835-L837 VanDerWaalsContact C-N 3.32Å; N835-L837 PolarHBondContact O-N 2.83Å; N835-L838 PolarHBondContact O-N 3.2Å; N835-L839 VanDerWaalsContact O-CB 3.23Å; N835-L839 WeakPolarHBondContact O-CB 3.09Å; N835-L839 PolarHBondContact O-N 2.87Å |
| 836 | Y | 57.7 | Low | 61.5 | Low | 41 Ų | 41 | 64.4 Ų | 64.4 | 16% | 0.161 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -56 | -45 | 174.5 | -179.8 | -92.1 | 0 | 0 | 0 | 112.6 | F819 Y824 L829 D833 D834 L839 R840 | F819-Y836 AromaticContact CD1-CD2 3.94Å; F819-Y836 HydrophobicContact CD1-CD2 3.94Å; F819-Y836 AromaticContact CD1-CE2 3.37Å; F819-Y836 HydrophobicContact CD1-CE2 3.37Å; F819-Y836 AromaticContact CD1-CZ 3.96Å; F819-Y836 AromaticContact CE1-CD2 3.57Å; F819-Y836 HydrophobicContact CE1-CD2 3.57Å; F819-Y836 AromaticContact CE1-CE2 3.41Å; F819-Y836 HydrophobicContact CE1-CE2 3.41Å; F819-Y836 VanDerWaalsContact CE1-CE2 3.41Å; F819-Y836 HydrophobicContact CE1-CG 4.27Å; F819-Y836 AromaticContact CE1-CZ 3.95Å; Y824-Y836 HydrophobicContact CD2-CD1 4.25Å; Y824-Y836 HydrophobicContact CD2-CG 4.28Å; L829-Y836 HydrophobicContact CD1-CD2 3.99Å; L829-Y836 HydrophobicContact CD2-CD2 3.84Å; L829-Y836 HydrophobicContact CD2-CG 4.14Å; D833-Y836 PolarHBondContact O-N 2.86Å; D834-Y836 PolarHBondContact O-N 2.94Å; Y836-L839 PolarHBondContact O-N 3.33Å; Y836-R840 VanDerWaalsContact O-CB 3.31Å; Y836-R840 WeakPolarHBondContact O-CB 3.1Å; Y836-R840 PolarHBondContact O-N 3.43Å |
| 837 | L | 56.7 | Low | 60.5 | Low | 96 Ų | 96 | 65.4 Ų | 65.4 | 50% | 0.503 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -70.1 | -40.5 | -177.8 | -66 | 175.6 | 0 | 0 | 0 | 111.3 | D834 N835 R840 S841 | D834-L837 PolarHBondContact O-N 3.46Å; N835-L837 VanDerWaalsContact C-N 3.32Å; N835-L837 PolarHBondContact O-N 2.83Å; L837-R840 PolarHBondContact O-N 3.44Å; L837-S841 WeakPolarHBondContact O-CB 3.02Å; L837-S841 PolarHBondContact O-N 3.15Å |
| 838 | L | 55.9 | Low | 59.6 | Low | 80 Ų | 80 | 63.8 Ų | 63.8 | 42% | 0.419 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -58.2 | -48.5 | 172.6 | -86.8 | 146.9 | 0 | 0 | 0 | 111.2 | D834 N835 R840 S841 R842 | D834-L838 PolarHBondContact O-N 2.71Å; D834-L838 VanDerWaalsContact O-N 3.14Å; N835-L838 PolarHBondContact O-N 3.2Å; L838-R840 PolarHBondContact O-N 3.45Å; L838-S841 PolarHBondContact O-N 2.9Å; L838-S841 PolarHBondContact O-OG 3.04Å; L838-R842 PolarHBondContact O-N 2.82Å; L838-R842 VanDerWaalsContact O-N 3.17Å |
| 839 | L | 57.5 | Low | 58.9 | Low | 14 Ų | 14 | 60.3 Ų | 60.3 | 7% | 0.073 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -66.6 | -37.8 | -177.6 | -144 | 133.1 | 0 | 0 | 0 | 110.8 | M1 H326 L815 F819 N835 Y836 R842 L843 | M1-L839 HydrophobicContact CE-CD1 3.94Å; M1-L839 HydrophobicContact SD-CD1 4.05Å; H326-L839 WeakPolarHBondContact CE1-CD1 3.46Å; L815-L839 HydrophobicContact CD2-CD2 3.52Å; L815-L839 HydrophobicContact CD2-CG 4.24Å; F819-L839 HydrophobicContact CE1-CD2 4.18Å; F819-L839 HydrophobicContact CE2-CD2 3.49Å; F819-L839 VanDerWaalsContact CE2-CD2 3.49Å; F819-L839 HydrophobicContact CZ-CB 3.81Å; F819-L839 HydrophobicContact CZ-CD2 3.3Å; F819-L839 HydrophobicContact CZ-CG 4.15Å; N835-L839 VanDerWaalsContact O-CB 3.23Å; N835-L839 WeakPolarHBondContact O-CB 3.09Å; N835-L839 PolarHBondContact O-N 2.87Å; Y836-L839 PolarHBondContact O-N 3.33Å; L839-R842 PolarHBondContact O-N 3.15Å; L839-L843 PolarHBondContact O-N 2.8Å |
| 840 | R | 60.9 | Low | 58.1 | Low | 126 Ų | 126 | 61.6 Ų | 61.6 | 48% | 0.475 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -71.8 | -33.8 | 174.9 | -167.2 | 174.5 | -177.5 | -175.6 | 0.5 | 113.1 | F819 Y836 L837 L838 R842 L843 R844 | F819-R840 HydrophobicContact CE1-CB 4.36Å; F819-R840 HydrophobicContact CZ-CB 4.06Å; Y836-R840 VanDerWaalsContact O-CB 3.31Å; Y836-R840 WeakPolarHBondContact O-CB 3.1Å; Y836-R840 PolarHBondContact O-N 3.43Å; L837-R840 PolarHBondContact O-N 3.44Å; L838-R840 PolarHBondContact O-N 3.45Å; R840-R842 VanDerWaalsContact C-N 3.29Å; R840-R842 PolarHBondContact O-N 3.37Å; R840-L843 PolarHBondContact O-N 3.43Å; R840-R844 PolarHBondContact O-N 2.97Å |
| 841 | S | 56.9 | Low | 57.2 | Low | 57 Ų | 57 | 64.6 Ų | 64.6 | 40% | 0.399 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -65.2 | -35.2 | 174.7 | 80 | 0 | 0 | 0 | 0 | 111.9 | L837 L838 R844 K845 | L837-S841 WeakPolarHBondContact O-CB 3.02Å; L837-S841 PolarHBondContact O-N 3.15Å; L838-S841 PolarHBondContact O-N 2.9Å; L838-S841 PolarHBondContact O-OG 3.04Å; S841-R844 PolarHBondContact O-N 3.41Å; S841-K845 PolarHBondContact O-N 3.38Å |
| 842 | R | 56.7 | Low | 56.1 | Low | 64 Ų | 64 | 64.9 Ų | 64.9 | 24% | 0.242 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -68.9 | -42.6 | 176.8 | -75 | -170.4 | 177.1 | -167.1 | 4.3 | 112.1 | V324 L838 L839 R840 R844 K845 Y846 | V324-R842 VanDerWaalsContact O-CZ 3.25Å; V324-R842 PolarHBondContact O-NH1 3.05Å; V324-R842 PolarHBondContact O-NH2 3.33Å; L838-R842 PolarHBondContact O-N 2.82Å; L838-R842 VanDerWaalsContact O-N 3.17Å; L839-R842 PolarHBondContact O-N 3.15Å; R840-R842 VanDerWaalsContact C-N 3.29Å; R840-R842 PolarHBondContact O-N 3.37Å; R842-R844 PolarHBondContact O-N 2.92Å; R842-R844 VanDerWaalsContact O-N 3.16Å; R842-K845 WeakPolarHBondContact O-CA 3.08Å; R842-K845 WeakPolarHBondContact O-CB 3.48Å; R842-K845 PolarHBondContact O-N 3.29Å; R842-Y846 VanDerWaalsContact C-CD2 3.4Å; R842-Y846 HydrophobicContact CB-CD2 3.99Å; R842-Y846 HydrophobicContact CB-CE2 3.61Å; R842-Y846 HydrophobicContact CG-CE2 4.4Å; R842-Y846 WeakPolarHBondContact O-CD2 3.36Å; R842-Y846 PolarHBondContact O-N 3.36Å |
| 843 | L | 58.1 | Low | 55.5 | Low | 29 Ų | 29 | 64.9 Ų | 64.9 | 15% | 0.152 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -50.8 | -38.9 | 171.8 | -90.1 | 179.8 | 0 | 0 | 0 | 113.1 | L815 V816 F819 L839 R840 Y846 A847 | L815-L843 HydrophobicContact CB-CD1 4.39Å; L815-L843 HydrophobicContact CB-CD2 3.61Å; L815-L843 HydrophobicContact CB-CG 4.06Å; L815-L843 HydrophobicContact CD1-CD2 3.86Å; L815-L843 HydrophobicContact CD1-CG 4.19Å; L815-L843 HydrophobicContact CG-CD2 4.41Å; V816-L843 HydrophobicContact CG2-CD2 4.37Å; F819-L843 HydrophobicContact CD2-CD1 3.33Å; F819-L843 HydrophobicContact CD2-CG 4.45Å; F819-L843 HydrophobicContact CE2-CD1 3.19Å; F819-L843 HydrophobicContact CE2-CG 3.98Å; F819-L843 HydrophobicContact CG-CD1 4.47Å; F819-L843 HydrophobicContact CZ-CD1 4.24Å; L839-L843 PolarHBondContact O-N 2.8Å; R840-L843 PolarHBondContact O-N 3.43Å; L843-Y846 PolarHBondContact O-N 3.48Å; L843-A847 VanDerWaalsContact O-CB 3.23Å; L843-A847 WeakPolarHBondContact O-CB 3.44Å; L843-A847 PolarHBondContact O-N 3.39Å |
| 844 | R | 58.3 | Low | 54.6 | Low | 184 Ų | 184 | 68 Ų | 68 | 69% | 0.694 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -66.5 | -38 | 176.4 | -71.1 | -176.3 | 179.1 | 166 | -1.6 | 112.8 | R840 S841 R842 A848 | R840-R844 PolarHBondContact O-N 2.97Å; S841-R844 PolarHBondContact O-N 3.41Å; R842-R844 PolarHBondContact O-N 2.92Å; R842-R844 VanDerWaalsContact O-N 3.16Å; R844-A848 PolarHBondContact O-N 2.66Å |
| 845 | K | 55.3 | Low | 53.9 | Low | 161 Ų | 161 | 76.3 Ų | 76.3 | 70% | 0.7 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -68.7 | -42.7 | 175.9 | -68.7 | -174.1 | 177.3 | -175.7 | 0 | 111.5 | S841 R842 A848 A849 | S841-K845 PolarHBondContact O-N 3.38Å; R842-K845 WeakPolarHBondContact O-CA 3.08Å; R842-K845 WeakPolarHBondContact O-CB 3.48Å; R842-K845 PolarHBondContact O-N 3.29Å; K845-A848 PolarHBondContact O-N 2.92Å; K845-A849 PolarHBondContact O-N 3.16Å |
| 846 | Y | 55.6 | Low | 53.4 | Low | 56 Ų | 56 | 82 Ų | 82 | 22% | 0.22 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -66.6 | -42.7 | 178.2 | -66.1 | -54.3 | 0 | 0 | 0 | 112.1 | E808 L815 R842 L843 A848 A849 A850 | E808-Y846 WeakPolarHBondContact OE1-CB 3.35Å; E808-Y846 WeakPolarHBondContact OE1-CD1 3.43Å; L815-Y846 HydrophobicContact CD1-CD2 4.28Å; L815-Y846 HydrophobicContact CD1-CE2 4.42Å; R842-Y846 VanDerWaalsContact C-CD2 3.4Å; R842-Y846 HydrophobicContact CB-CD2 3.99Å; R842-Y846 HydrophobicContact CB-CE2 3.61Å; R842-Y846 HydrophobicContact CG-CE2 4.4Å; R842-Y846 WeakPolarHBondContact O-CD2 3.36Å; R842-Y846 PolarHBondContact O-N 3.36Å; L843-Y846 PolarHBondContact O-N 3.48Å; Y846-A848 VanDerWaalsContact C-N 3.28Å; Y846-A848 PolarHBondContact O-N 3.29Å; Y846-A849 PolarHBondContact O-N 3.41Å; Y846-A849 VanDerWaalsContact O-N 3.14Å; Y846-A850 WeakPolarHBondContact O-CB 3.33Å; Y846-A850 PolarHBondContact O-N 2.99Å |
| 847 | A | 53.9 | Low | 52.6 | Low | 53 Ų | 53 | 87.7 Ų | 87.7 | 44% | 0.438 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -60.2 | -36.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L843 A851 | L843-A847 VanDerWaalsContact O-CB 3.23Å; L843-A847 WeakPolarHBondContact O-CB 3.44Å; L843-A847 PolarHBondContact O-N 3.39Å; A847-A851 WeakPolarHBondContact O-CB 3.48Å; A847-A851 PolarHBondContact O-N 3.44Å |
| 848 | A | 55.3 | Low | 51.9 | Low | 63 Ų | 63 | 92.5 Ų | 92.5 | 52% | 0.521 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -66.6 | -39.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | R844 K845 Y846 A852 | R844-A848 PolarHBondContact O-N 2.66Å; K845-A848 PolarHBondContact O-N 2.92Å; Y846-A848 VanDerWaalsContact C-N 3.28Å; Y846-A848 PolarHBondContact O-N 3.29Å; A848-A852 PolarHBondContact O-N 3.33Å; A848-A852 VanDerWaalsContact O-N 3.09Å |
| 849 | A | 51.4 | Low | 51.2 | Low | 52 Ų | 52 | 92.2 Ų | 92.2 | 43% | 0.43 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -69.8 | -41.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | K845 Y846 A852 A853 | K845-A849 PolarHBondContact O-N 3.16Å; Y846-A849 PolarHBondContact O-N 3.41Å; Y846-A849 VanDerWaalsContact O-N 3.14Å; A849-A852 WeakPolarHBondContact O-CB 3.2Å; A849-A852 PolarHBondContact O-N 3.28Å; A849-A853 PolarHBondContact O-N 2.86Å; A849-A853 VanDerWaalsContact O-N 3.14Å |
| 850 | A | 51.3 | Low | 50.3 | Low | 41 Ų | 41 | 99 Ų | 99 | 34% | 0.339 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.6 | -38.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y846 A852 A853 S854 | Y846-A850 WeakPolarHBondContact O-CB 3.33Å; Y846-A850 PolarHBondContact O-N 2.99Å; A850-A852 VanDerWaalsContact C-N 3.3Å; A850-A852 PolarHBondContact O-N 2.79Å; A850-A853 CarbonylContact O-C 3.57Å; A850-A853 WeakPolarHBondContact O-CA 2.96Å; A850-A853 WeakPolarHBondContact O-CB 3.38Å; A850-A853 PolarHBondContact O-N 3.06Å; A850-S854 PolarHBondContact O-N 3.06Å |
| 851 | A | 50.2 | Low | 48.8 | Very low | 63 Ų | 63 | 102 Ų | 102 | 52% | 0.521 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.1 | -36.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | A847 A853 S854 | A847-A851 WeakPolarHBondContact O-CB 3.48Å; A847-A851 PolarHBondContact O-N 3.44Å; A851-A853 PolarHBondContact O-N 3.03Å; A851-S854 WeakPolarHBondContact O-CB 3.36Å; A851-S854 PolarHBondContact O-N 3.27Å; A851-S854 VanDerWaalsContact O-N 3.13Å |
| 852 | A | 50 | Low | 47.5 | Very low | 48 Ų | 48 | 104.7 Ų | 104.7 | 40% | 0.397 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -69 | -17.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | R761 A848 A849 A850 | R761-A852 PolarHBondContact NH2-O 3.47Å; A848-A852 PolarHBondContact O-N 3.33Å; A848-A852 VanDerWaalsContact O-N 3.09Å; A849-A852 WeakPolarHBondContact O-CB 3.2Å; A849-A852 PolarHBondContact O-N 3.28Å; A850-A852 VanDerWaalsContact C-N 3.3Å; A850-A852 PolarHBondContact O-N 2.79Å |
| 853 | A | 49.4 | Very low | 46.3 | Very low | 18 Ų | 18 | 109.2 Ų | 109.2 | 15% | 0.149 | 58% | 0.583 | C | S | . | * | H | α-helix | trans | -87.8 | -9.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y805 A849 A850 A851 W855 | Y805-A853 HydrophobicContact CD1-CB 3.47Å; Y805-A853 VanDerWaalsContact CD1-CB 3.47Å; Y805-A853 HydrophobicContact CE1-CB 3.32Å; Y805-A853 HydrophobicContact CG-CB 4.26Å; A849-A853 PolarHBondContact O-N 2.86Å; A849-A853 VanDerWaalsContact O-N 3.14Å; A850-A853 CarbonylContact O-C 3.57Å; A850-A853 WeakPolarHBondContact O-CA 2.96Å; A850-A853 WeakPolarHBondContact O-CB 3.38Å; A850-A853 PolarHBondContact O-N 3.06Å; A851-A853 PolarHBondContact O-N 3.03Å; A853-W855 PolarHBondContact O-N 3.34Å; A853-W855 VanDerWaalsContact O-N 3.09Å |
| 854 | S | 44.3 | Very low | 44.7 | Very low | 89 Ų | 89 | 114 Ų | 114 | 62% | 0.622 | 61% | 0.614 | S | S | * | * | trans | -72.9 | 6.4 | -176.4 | -169 | 0 | 0 | 0 | 0 | 114.9 | A850 A851 R856 | A850-S854 PolarHBondContact O-N 3.06Å; A851-S854 WeakPolarHBondContact O-CB 3.36Å; A851-S854 PolarHBondContact O-N 3.27Å; A851-S854 VanDerWaalsContact O-N 3.13Å; S854-R856 PolarHBondContact O-N 2.66Å | ||
| 855 | W | 41.7 | Very low | 43.4 | Very low | 229 Ų | 229 | 111 Ų | 111 | 87% | 0.867 | 62% | 0.617 | S | S | * | * | trans | -77.1 | 39.2 | 170.4 | -67 | 86.6 | 0 | 0 | 0 | 112.3 | A853 D857 | A853-W855 PolarHBondContact O-N 3.34Å; A853-W855 VanDerWaalsContact O-N 3.09Å; W855-D857 PolarHBondContact O-N 3.12Å | ||
| 856 | R | 43.7 | Very low | 42.1 | Very low | 157 Ų | 157 | 108.3 Ų | 108.3 | 59% | 0.592 | 62% | 0.618 | S | S | * | * | G | 310 helix | trans | -65 | 4.8 | -178 | -84.5 | -171.3 | 177.9 | 175.9 | 4.3 | 114.7 | E809 S854 E858 | E809-R856 IonicContact OE2-NH2 2.82Å; S854-R856 PolarHBondContact O-N 2.66Å; R856-E858 PolarHBondContact O-N 2.99Å |
| 857 | D | 41.1 | Very low | 40.7 | Very low | 161 Ų | 161 | 109.2 Ų | 109.2 | 86% | 0.861 | 64% | 0.637 | S | S | * | * | G | 310 helix | trans | -84.1 | 2.5 | -170.2 | -78.4 | -21.5 | 0 | 0 | 0 | 116.7 | W855 | W855-D857 PolarHBondContact O-N 3.12Š|
| 858 | E | 42.2 | Very low | 39.4 | Very low | 197 Ų | 197 | 118.2 Ų | 118.2 | 92% | 0.921 | 66% | 0.661 | S | S | * | * | G | 310 helix | trans | -118.1 | -4.2 | 179.8 | -96 | -177.8 | 163.1 | 0 | 0 | 116.4 | R856 | R856-E858 PolarHBondContact O-N 2.99Š|
| 859 | A | 41.9 | Very low | 38.2 | Very low | 75 Ų | 75 | 120.6 Ų | 120.6 | 62% | 0.62 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -104.3 | -1.3 | -175 | 0 | 0 | 0 | 0 | 0 | 115.4 | K861 | A859-K861 VanDerWaalsContact C-N 3.27Å; A859-K861 PolarHBondContact O-N 2.8Å; A859-K861 VanDerWaalsContact O-N 3.15Å |
| 860 | D | 38.1 | Very low | 37.1 | Very low | 157 Ų | 157 | 127 Ų | 127 | 84% | 0.84 | 69% | 0.689 | S | S | * | * | trans | -86.2 | 29.6 | -172 | -111.9 | 4.6 | 0 | 0 | 0 | 114.9 | P862 | D860-P862 WeakPolarHBondContact O-CD 2.88Š| ||
| 861 | K | 29.7 | Very low | 36.1 | Very low | 188 Ų | 188 | 128.7 Ų | 128.7 | 82% | 0.817 | 71% | 0.711 | S | S | * | * | trans | -84.9 | 112.1 | 161.9 | -84.7 | -175 | -180 | 176.3 | 0 | 109 | A859 I863 | A859-K861 VanDerWaalsContact C-N 3.27Å; A859-K861 PolarHBondContact O-N 2.8Å; A859-K861 VanDerWaalsContact O-N 3.15Å; K861-I863 PolarHBondContact O-N 2.75Å; K861-I863 VanDerWaalsContact O-N 3.09Å | ||
| 862 | P | 29.9 | Very low | 35.1 | Very low | 114 Ų | 114 | 130.7 Ų | 130.7 | 74% | 0.74 | 72% | 0.721 | S | S | * | * | trans | -67.7 | 113.1 | 178.9 | 28 | -31.6 | 0 | 0 | 0 | 108.6 | D860 T864 | D860-P862 WeakPolarHBondContact O-CD 2.88Å; P862-T864 PolarHBondContact O-N 2.74Å | ||
| 863 | I | 30.3 | Very low | 34.2 | Very low | 158 Ų | 158 | 134.4 Ų | 134.4 | 81% | 0.81 | 74% | 0.739 | S | S | * | * | trans | -80.8 | 95.8 | 160.8 | -60.1 | 178.2 | 0 | 0 | 0 | 106.2 | K861 T865 | K861-I863 PolarHBondContact O-N 2.75Å; K861-I863 VanDerWaalsContact O-N 3.09Å; I863-T865 PolarHBondContact O-N 3.39Å | ||
| 864 | T | 25.6 | Very low | 33.1 | Very low | 131 Ų | 131 | 141.5 Ų | 141.5 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | trans | -60.4 | 114.8 | 165.7 | 0.7 | 0 | 0 | 0 | 0 | 109.4 | P862 | P862-T864 PolarHBondContact O-N 2.74Š| ||
| 865 | T | 30 | Very low | 32.7 | Very low | 121 Ų | 121 | 142.5 Ų | 142.5 | 74% | 0.742 | 78% | 0.778 | S | S | * | * | trans | -155.5 | 84.7 | 151.5 | -15.1 | 0 | 0 | 0 | 0 | 106.5 | I863 | I863-T865 PolarHBondContact O-N 3.39Š| ||
| 866 | S | 28.5 | Very low | 32.3 | Very low | 104 Ų | 104 | 137.3 Ų | 137.3 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | 59.8 | 97.3 | 97 | 175.2 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 867 | A | 26.6 | Very low | 31.6 | Very low | 74 Ų | 74 | 136.7 Ų | 136.7 | 61% | 0.612 | 78% | 0.775 | S | S | * | * | trans | 46.9 | 115.2 | 140.2 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 868 | Y | 27.4 | Very low | 31.2 | Very low | 242 Ų | 242 | 136.2 Ų | 136.2 | 95% | 0.949 | 77% | 0.767 | S | S | * | * | -150.7 | 102.9 | 111.9 | -100.2 | -76.7 | 0 | 0 | 0 | 109 | |||||
| 869 | V | 29.5 | Very low | 30.9 | Very low | 113 Ų | 113 | 132.3 Ų | 132.3 | 69% | 0.685 | 76% | 0.757 | S | S | * | * | trans | -99.2 | 140.1 | 171.6 | 162.5 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 870 | H | 28.9 | Very low | 30.7 | Very low | 186 Ų | 186 | 135.2 Ų | 135.2 | 86% | 0.861 | 77% | 0.768 | S | S | * | * | trans | 68.9 | 135.3 | 163 | -79 | -55.8 | 0 | 0 | 0 | 119.9 | ||||
| 871 | G | 28.9 | Very low | 30.6 | Very low | 77 Ų | 77 | 130.9 Ų | 130.9 | 79% | 0.794 | 76% | 0.76 | S | S | * | * | trans | 168.5 | 62.6 | 166.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 872 | S | 29.4 | Very low | 31 | Very low | 105 Ų | 105 | 128 Ų | 128 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | trans | -64.2 | 141.3 | 171.4 | 40.8 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 873 | V | 31.3 | Very low | 31.6 | Very low | 127 Ų | 127 | 127.6 Ų | 127.6 | 77% | 0.77 | 77% | 0.77 | S | S | * | * | trans | 65.5 | 105.2 | 137.4 | -175.5 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 874 | L | 26.6 | Very low | 32.3 | Very low | 167 Ų | 167 | 127.4 Ų | 127.4 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | trans | 51.4 | 153.8 | 134.3 | -70 | 174.4 | 0 | 0 | 0 | 122.8 | ||||
| 875 | P | 35.2 | Very low | 32.6 | Very low | 109 Ų | 109 | 127.3 Ų | 127.3 | 71% | 0.708 | 81% | 0.807 | S | S | * | * | trans | -107.7 | 176.1 | -141.5 | 42.2 | -34.7 | 0 | 0 | 0 | 113.9 | ||||
| 876 | V | 32.9 | Very low | 32.8 | Very low | 121 Ų | 121 | 127.6 Ų | 127.6 | 73% | 0.733 | 81% | 0.81 | S | S | * | * | trans | 174.6 | 125.4 | 140.8 | 149 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 877 | E | 30.5 | Very low | 33 | Very low | 143 Ų | 143 | 128.9 Ų | 128.9 | 67% | 0.668 | 82% | 0.815 | S | S | * | * | trans | 52.6 | 132.3 | 142.7 | -64.5 | -172.9 | 134.2 | 0 | 0 | 124.5 | ||||
| 878 | Q | 30.8 | Very low | 33.4 | Very low | 151 Ų | 151 | 132.1 Ų | 132.1 | 71% | 0.706 | 83% | 0.827 | S | S | * | * | trans | 67.3 | 128.7 | 134.4 | -68 | 174.5 | 29 | 0 | 0 | 115.8 | ||||
| 879 | T | 36.1 | Very low | 33.8 | Very low | 115 Ų | 115 | 125.3 Ų | 125.3 | 71% | 0.706 | 82% | 0.819 | S | S | * | * | cis | -173 | 136.5 | 36.2 | 12.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 880 | T | 38.6 | Very low | 34.1 | Very low | 137 Ų | 137 | 126.1 Ų | 126.1 | 84% | 0.84 | 83% | 0.828 | S | S | * | * | trans | 26.8 | 130.4 | 140.2 | 58.9 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 881 | G | 36.4 | Very low | 34.4 | Very low | 66 Ų | 66 | 121.8 Ų | 121.8 | 68% | 0.68 | 83% | 0.826 | S | S | * | * | 146 | 101.3 | 124.9 | 0 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 882 | S | 37.3 | Very low | 34.9 | Very low | 128 Ų | 128 | 125.2 Ų | 125.2 | 90% | 0.895 | 83% | 0.828 | S | S | * | * | trans | 62.6 | 145.8 | 142.2 | 76.7 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 883 | A | 41.8 | Very low | 35.3 | Very low | 105 Ų | 105 | 126.9 Ų | 126.9 | 87% | 0.868 | 84% | 0.836 | S | S | * | * | cis | -161.3 | 150.4 | -3.1 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 884 | G | 46.1 | Very low | 35.7 | Very low | 154 Ų | 154 | 126.9 Ų | 126.9 | 100% | 1.588 | 84% | 0.842 | S | S | * | * | trans | 164 | 0 | 178.6 | 0 | 0 | 0 | 0 | 0 | 109.7 |
Retrieved 884 of 884 residues in 712.5 ms
(Link to these results)