| 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 | 32.3 | Very low | 60.4 | Low | 225 Ų | 225 | 85.7 Ų | 85.7 | 100% | 1.108 | 52% | 0.517 | S | S | * | . | 0 | 94.2 | 0 | -62.8 | -62.2 | -178.3 | 0 | 0 | 107.8 | |||||
| 2 | P | 32.4 | Very low | 63.4 | Low | 117 Ų | 117 | 82.9 Ų | 82.9 | 76% | 0.76 | 49% | 0.491 | S | S | * | . | trans | -72.8 | 138.6 | 171.2 | 31.1 | -28.2 | 0 | 0 | 0 | 108.7 | V4 | P2-V4 WeakPolarHBondContact O-CG2 3.34Å; P2-V4 PolarHBondContact O-N 3.24Å | ||
| 3 | N | 28.3 | Very low | 66 | Low | 132 Ų | 132 | 76.8 Ų | 76.8 | 71% | 0.706 | 45% | 0.454 | S | S | * | . | trans | -29.2 | 108.6 | -177.4 | -89 | -15.4 | 0 | 0 | 0 | 115 | D760 | N3-D760 PolarHBondContact ND2-OD2 2.85Å; N3-D760 VanDerWaalsContact ND2-OD2 3.08Å | ||
| 4 | V | 41.4 | Very low | 68.3 | Low | 101 Ų | 101 | 71.3 Ų | 71.3 | 61% | 0.612 | 42% | 0.422 | S | S | * | . | trans | -88.9 | -10.7 | 179.5 | 179.6 | 0 | 0 | 0 | 0 | 112.7 | P2 G6 | P2-V4 WeakPolarHBondContact O-CG2 3.34Å; P2-V4 PolarHBondContact O-N 3.24Å; V4-G6 PolarHBondContact O-N 2.65Å | ||
| 5 | G | 37.3 | Very low | 70.3 | Confident | 74 Ų | 74 | 66.6 Ų | 66.6 | 76% | 0.763 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | -11.7 | -168.9 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||
| 6 | G | 52 | Low | 72 | Confident | 52 Ų | 52 | 62.6 Ų | 62.6 | 54% | 0.536 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | -18.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | V4 | V4-G6 PolarHBondContact O-N 2.65Š|
| 7 | N | 72.1 | Confident | 73.5 | Confident | 60 Ų | 60 | 58.9 Ų | 58.9 | 32% | 0.321 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -100.4 | -7.8 | -164.4 | -83.2 | -12.6 | 0 | 0 | 0 | 115.3 | N9 V10 | N7-N9 VanDerWaalsContact C-N 3.25Å; N7-N9 PolarHBondContact O-N 3.25Å; N7-V10 PolarHBondContact O-N 2.96Å |
| 8 | E | 85.5 | Confident | 74.9 | Confident | 131 Ų | 131 | 55.7 Ų | 55.7 | 61% | 0.612 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -30.4 | -174.2 | -65.7 | -175.1 | 171.3 | 0 | 0 | 113 | K169 | E8-K169 WeakPolarHBondContact O-CG 3.22Š|
| 9 | N | 92.2 | Very high | 76.1 | Confident | 47 Ų | 47 | 52.7 Ų | 52.7 | 25% | 0.251 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | 0.7 | 179.2 | -65 | -50.8 | 0 | 0 | 0 | 113.4 | N7 G170 N171 T172 | N7-N9 VanDerWaalsContact C-N 3.25Å; N7-N9 PolarHBondContact O-N 3.25Å; N9-G170 WeakPolarHBondContact OD1-CA 3.28Å; N9-N171 PolarHBondContact OD1-N 3.36Å; N9-T172 WeakPolarHBondContact O-CB 3.4Å; N9-T172 PolarHBondContact O-OG1 3.46Å |
| 10 | V | 94.7 | Very high | 77.2 | Confident | 2 Ų | 2 | 50.2 Ų | 50.2 | 1% | 0.012 | 30% | 0.297 | C | S | . | . | trans | -102.2 | 117.6 | -176.5 | -177.3 | 0 | 0 | 0 | 0 | 109.2 | N7 R12 K169 E286 I287 R288 L762 F764 | N7-V10 PolarHBondContact O-N 2.96Å; V10-R12 HydrophobicContact CG1-CG 4.4Å; V10-K169 WeakPolarHBondContact O-CD 3.39Å; V10-K169 WeakPolarHBondContact O-CE 3.19Å; V10-K169 PolarHBondContact O-NZ 3.14Å; V10-E286 HydrophobicContact CG1-CB 3.89Å; V10-I287 WeakPolarHBondContact CA-O 3.49Å; V10-R288 HydrophobicContact CG2-CB 4.35Å; V10-L762 HydrophobicContact CG2-CD1 4.25Å; V10-F764 HydrophobicContact CG1-CZ 4.32Å; V10-F764 HydrophobicContact CG2-CZ 4.12Å | ||
| 11 | L | 95.7 | Very high | 78.1 | Confident | 2 Ų | 2 | 47.9 Ų | 47.9 | 1% | 0.01 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 115.7 | 175.4 | -169.5 | 69.4 | 0 | 0 | 0 | 109.3 | V13 D51 F52 F89 K169 V174 E286 I287 | L11-V13 HydrophobicContact CD2-CG2 4.4Å; L11-V13 HydrophobicContact CG-CG2 4.15Å; L11-D51 WeakPolarHBondContact CA-OD2 3.45Å; L11-D51 HydrophobicContact CD1-CB 3.92Å; L11-F52 HydrophobicContact CD1-CD1 4.35Å; L11-F52 HydrophobicContact CD1-CE1 4.02Å; L11-F52 HydrophobicContact CD2-CE1 3.82Å; L11-F52 HydrophobicContact CD2-CZ 4.42Å; L11-F52 HydrophobicContact CG-CE1 3.98Å; L11-F89 HydrophobicContact CD1-CB 4.19Å; L11-F89 HydrophobicContact CD1-CD1 4.29Å; L11-F89 HydrophobicContact CD1-CG 4.38Å; L11-K169 HydrophobicContact CB-CD 4.4Å; L11-K169 HydrophobicContact CD1-CB 3.95Å; L11-K169 HydrophobicContact CD1-CD 3.82Å; L11-V174 HydrophobicContact CD2-CB 4.11Å; L11-V174 HydrophobicContact CD2-CG2 3.59Å; L11-E286 CarbonylContact O-C 3.59Å; L11-E286 WeakPolarHBondContact O-CA 3.35Å; L11-I287 HydrophobicContact CB-CB 4.4Å; L11-I287 PolarHBondContact N-O 3Å; L11-I287 PolarHBondContact O-N 2.82Å |
| 12 | R | 96.9 | Very high | 81.1 | Confident | 52 Ų | 52 | 37.5 Ų | 37.5 | 20% | 0.196 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 116.7 | -179.4 | -67.1 | -174.1 | 151.6 | -175.3 | -2.7 | 110.2 | V10 H48 V50 D51 L285 E286 | V10-R12 HydrophobicContact CG1-CG 4.4Å; R12-H48 PolarHBondContact NH1-O 3.27Å; R12-V50 HydrophobicContact CB-CB 4.47Å; R12-D51 PolarHBondContact N-OD2 2.68Å; R12-D51 WeakPolarHBondContact O-CB 3.45Å; R12-D51 PolarHBondContact O-N 3.44Å; R12-L285 CarbonylContact C-O 3.6Å; R12-L285 WeakPolarHBondContact CA-O 3.4Å; R12-E286 HydrophobicContact CG-CG 4.23Å; R12-E286 IonicContact CZ-OE1 3.58Å; R12-E286 IonicContact NE-OE1 2.62Å; R12-E286 PolarHBondContact NE-OE1 3.44Å; R12-E286 IonicContact NH2-OE1 2.77Å; R12-E286 PolarHBondContact NH2-OE1 3.28Å |
| 13 | V | 97.6 | Very high | 84.1 | Confident | 3 Ų | 3 | 33.8 Ų | 33.8 | 2% | 0.018 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 124.2 | -176.6 | -174.4 | 0 | 0 | 0 | 0 | 109.1 | L11 V15 F52 L54 L285 | L11-V13 HydrophobicContact CD2-CG2 4.4Å; L11-V13 HydrophobicContact CG-CG2 4.15Å; V13-V15 HydrophobicContact CG1-CG2 3.98Å; V13-F52 WeakPolarHBondContact CA-O 3.27Å; V13-F52 HydrophobicContact CB-CE2 4.19Å; V13-F52 HydrophobicContact CB-CZ 4.19Å; V13-F52 HydrophobicContact CG1-CD2 3.8Å; V13-F52 HydrophobicContact CG1-CE2 3.36Å; V13-F52 HydrophobicContact CG1-CZ 3.82Å; V13-F52 HydrophobicContact CG2-CD1 4.16Å; V13-F52 HydrophobicContact CG2-CD2 4.39Å; V13-F52 HydrophobicContact CG2-CE1 3.51Å; V13-F52 HydrophobicContact CG2-CE2 3.78Å; V13-F52 HydrophobicContact CG2-CZ 3.28Å; V13-L54 HydrophobicContact CG1-CB 3.8Å; V13-L285 HydrophobicContact CB-CB 4.25Å; V13-L285 PolarHBondContact N-O 2.96Å; V13-L285 PolarHBondContact O-N 3.26Å |
| 14 | L | 98 | Very high | 87.3 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 119.9 | 167.8 | -167.5 | 72.1 | 0 | 0 | 0 | 108.7 | I41 L44 A45 V50 F52 I53 L54 V282 L297 | L14-I41 HydrophobicContact CD2-CG2 3.84Å; L14-I41 VanDerWaalsContact CD2-O 3.23Å; L14-I41 WeakPolarHBondContact CD2-O 3.49Å; L14-L44 HydrophobicContact CD2-CB 4.46Å; L14-A45 HydrophobicContact CD2-CB 3.72Å; L14-V50 HydrophobicContact CB-CG1 4.12Å; L14-V50 HydrophobicContact CB-CG2 4.27Å; L14-F52 PolarHBondContact N-O 3.06Å; L14-F52 VanDerWaalsContact N-O 3.13Å; L14-I53 HydrophobicContact CB-CG1 4.39Å; L14-I53 CarbonylContact O-C 3.57Å; L14-I53 WeakPolarHBondContact O-CA 3.33Å; L14-L54 PolarHBondContact O-N 3.4Å; L14-V282 HydrophobicContact CD1-CB 4.46Å; L14-V282 HydrophobicContact CD1-CG2 3.89Å; L14-L297 HydrophobicContact CD1-CD1 3.98Å |
| 15 | V | 98.1 | Very high | 89.7 | Confident | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.006 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 126.8 | -179.5 | -173.7 | 0 | 0 | 0 | 0 | 109.5 | V13 L54 I240 P264 A283 L285 | V13-V15 HydrophobicContact CG1-CG2 3.98Å; V15-L54 WeakPolarHBondContact CA-O 3.31Å; V15-L54 HydrophobicContact CG2-CB 4.43Å; V15-L54 HydrophobicContact CG2-CD2 4.43Å; V15-I240 HydrophobicContact CG1-CB 4.5Å; V15-I240 HydrophobicContact CG1-CD1 4.25Å; V15-I240 HydrophobicContact CG1-CG1 4.24Å; V15-I240 HydrophobicContact CG1-CG2 3.48Å; V15-I240 VanDerWaalsContact CG1-CG2 3.48Å; V15-P264 HydrophobicContact CG1-CG 3.98Å; V15-A283 HydrophobicContact CB-CB 4.21Å; V15-A283 PolarHBondContact N-O 3.21Å; V15-A283 PolarHBondContact O-N 3.19Å; V15-L285 HydrophobicContact CG2-CB 4.11Å; V15-L285 HydrophobicContact CG2-CD2 4.35Å |
| 16 | S | 97.7 | Very high | 92.4 | Very high | 3 Ų | 3 | 32.7 Ų | 32.7 | 2% | 0.021 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 160.7 | 173.8 | -176.8 | 0 | 0 | 0 | 0 | 109.6 | N19 I41 L54 F55 A56 | S16-N19 PolarHBondContact OG-ND2 3.5Å; S16-I41 WeakPolarHBondContact OG-CD1 3.22Å; S16-L54 PolarHBondContact N-O 3Å; S16-F55 VanDerWaalsContact O-CA 3.26Å; S16-F55 WeakPolarHBondContact O-CA 3.47Å; S16-A56 PolarHBondContact O-N 3.06Å |
| 17 | T | 97.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 16% | 0.162 | C | C | . | . | trans | -151.6 | 161.1 | -179.9 | -164.8 | 0 | 0 | 0 | 0 | 109.5 | N19 A56 G242 P264 G265 | T17-N19 PolarHBondContact O-N 3.07Å; T17-A56 WeakPolarHBondContact OG1-CB 3.47Å; T17-A56 PolarHBondContact OG1-O 3.21Å; T17-G242 VanDerWaalsContact OG1-CA 3.29Å; T17-G242 WeakPolarHBondContact OG1-CA 3.46Å; T17-P264 HydrophobicContact CG2-CB 4.08Å; T17-P264 HydrophobicContact CG2-CG 4.29Å; T17-G265 VanDerWaalsContact CG2-O 3.25Å; T17-G265 WeakPolarHBondContact CG2-O 3.49Å | ||
| 18 | D | 98 | Very high | 95.2 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 19% | 0.187 | C | C | . | . | trans | 53.5 | 55.4 | 168.1 | -59.9 | -99.1 | 0 | 0 | 0 | 110.7 | H20 G57 D58 H215 H243 H245 S266 S267 | D18-H20 VanDerWaalsContact C-N 3.32Å; D18-H20 PolarHBondContact O-CD2 3.06Å; D18-H20 IonicContact OD1-NE2 2.74Å; D18-G57 PolarHBondContact N-O 3.42Å; D18-D58 CarbonylContact C-O 3.5Å; D18-D58 HydrophobicContact CB-CB 4.44Å; D18-H215 IonicContact OD1-CE1 2.99Å; D18-H215 PolarHBondContact OD1-CE1 3.11Å; D18-H215 VanDerWaalsContact OD1-CE1 3.24Å; D18-H215 IonicContact OD1-NE2 3.7Å; D18-H215 IonicContact OD2-CE1 3.9Å; D18-H243 WeakPolarHBondContact OD1-CA 3.48Å; D18-H243 PolarHBondContact OD1-N 3.28Å; D18-H243 PolarHBondContact OD2-N 2.94Å; D18-H245 IonicContact OD1-CD2 3.49Å; D18-H245 PolarHBondContact OD1-CD2 3.29Å; D18-H245 IonicContact OD1-NE2 3.85Å; D18-H245 PolarHBondContact OD1-NE2 3.14Å; D18-S266 WeakPolarHBondContact O-CA 3.25Å; D18-S266 VanDerWaalsContact O-CB 3.28Å; D18-S266 WeakPolarHBondContact O-CB 3.43Å; D18-S267 PolarHBondContact O-N 3.33Å | ||
| 19 | N | 97.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.179 | C | C | . | . | trans | -73 | -30.7 | -179.7 | -62.3 | 118 | 0 | 0 | 0 | 111.8 | S16 T17 V21 F38 I41 F55 D58 S267 | S16-N19 PolarHBondContact OG-ND2 3.5Å; T17-N19 PolarHBondContact O-N 3.07Å; N19-V21 HydrophobicContact CB-CG2 4.21Å; N19-V21 PolarHBondContact O-N 3.23Å; N19-F38 HydrophobicContact CB-CD2 4.07Å; N19-I41 VanDerWaalsContact ND2-CD1 3.29Å; N19-I41 WeakPolarHBondContact ND2-CD1 3.48Å; N19-F55 WeakPolarHBondContact OD1-CD1 3.36Å; N19-D58 PolarHBondContact N-O 2.95Å; N19-S267 VanDerWaalsContact CA-OG 3.3Å; N19-S267 WeakPolarHBondContact CA-OG 3.41Å; N19-S267 PolarHBondContact ND2-OG 2.74Å; N19-S267 PolarHBondContact O-OG 3.24Å | ||
| 20 | H | 97.7 | Very high | 95.5 | Very high | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | trans | 50 | 44.7 | 176.2 | -75.3 | -79.1 | 0 | 0 | 0 | 112.3 | D18 G22 Y23 D58 I59 H61 H127 H245 V268 T270 | D18-H20 VanDerWaalsContact C-N 3.32Å; D18-H20 PolarHBondContact O-CD2 3.06Å; D18-H20 IonicContact OD1-NE2 2.74Å; H20-G22 PolarHBondContact O-N 3Å; H20-Y23 VanDerWaalsContact O-CB 3.24Å; H20-Y23 WeakPolarHBondContact O-CB 3.15Å; H20-Y23 PolarHBondContact O-N 3Å; H20-D58 IonicContact CE1-OD2 3.44Å; H20-D58 PolarHBondContact CE1-OD2 2.81Å; H20-D58 PolarHBondContact N-O 3.38Å; H20-D58 IonicContact NE2-OD2 3.66Å; H20-D58 PolarHBondContact NE2-OD2 2.88Å; H20-I59 PolarHBondContact N-O 2.89Å; H20-H61 HydrophobicContact CB-CB 4.08Å; H20-H61 AromaticContact CE1-ND1 3.94Å; H20-H61 AromaticContact CG-ND1 3.88Å; H20-H61 AromaticContact ND1-CG 3.84Å; H20-H61 AromaticContact ND1-ND1 3Å; H20-H61 PolarHBondContact ND1-ND1 3.04Å; H20-H127 AromaticContact CE1-CD2 3.55Å; H20-H127 AromaticContact CE1-CG 3.8Å; H20-H127 AromaticContact CE1-NE2 3.86Å; H20-H245 AromaticContact CD2-CE1 3.78Å; H20-H245 AromaticContact CD2-NE2 3.7Å; H20-H245 AromaticContact NE2-CE1 3.37Å; H20-H245 PolarHBondContact NE2-CE1 3.37Å; H20-H245 AromaticContact NE2-NE2 3.1Å; H20-H245 PolarHBondContact NE2-NE2 3.14Å; H20-V268 HydrophobicContact CB-CG1 3.82Å; H20-T270 HydrophobicContact CB-CG2 3.96Å | ||
| 21 | V | 97.3 | Very high | 95.4 | Very high | 2 Ų | 2 | 31.4 Ų | 31.4 | 1% | 0.012 | 17% | 0.174 | C | C | . | . | B | Isolated β-bridge | trans | -61.6 | 125.2 | 177.7 | -178.4 | 0 | 0 | 0 | 0 | 109.4 | N19 F35 F38 I59 F60 H61 V73 | N19-V21 HydrophobicContact CB-CG2 4.21Å; N19-V21 PolarHBondContact O-N 3.23Å; V21-F35 HydrophobicContact CG1-CD1 3.58Å; V21-F35 HydrophobicContact CG1-CE1 3.25Å; V21-F35 HydrophobicContact CG1-CZ 4.08Å; V21-F38 HydrophobicContact CG2-CB 4.04Å; V21-F38 HydrophobicContact CG2-CD2 4.08Å; V21-F38 HydrophobicContact CG2-CG 3.99Å; V21-I59 WeakPolarHBondContact CB-O 3.27Å; V21-I59 WeakPolarHBondContact CG2-O 3.44Å; V21-I59 PolarHBondContact N-O 2.95Å; V21-F60 HydrophobicContact CB-CD1 4.34Å; V21-H61 PolarHBondContact O-N 3.17Å; V21-V73 HydrophobicContact CB-CG2 4Å; V21-V73 HydrophobicContact CG1-CG2 3.61Å; V21-V73 HydrophobicContact CG2-CG2 4.04Å |
| 22 | G | 95 | Very high | 95.2 | Very high | 8 Ų | 8 | 35 Ų | 35 | 8% | 0.082 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 101.6 | -6.4 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114 | H20 A24 E25 S34 S69 | H20-G22 PolarHBondContact O-N 3Å; G22-A24 PolarHBondContact O-N 2.93Å; G22-E25 WeakPolarHBondContact O-CB 3.32Å; G22-E25 PolarHBondContact O-N 3.42Å; G22-S34 PolarHBondContact N-OG 3.28Å; G22-S69 VanDerWaalsContact CA-OG 3.27Å; G22-S69 WeakPolarHBondContact CA-OG 3.33Å |
| 23 | Y | 96.4 | Very high | 95.1 | Very high | 39 Ų | 39 | 33.1 Ų | 33.1 | 15% | 0.153 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | 129.9 | 173.9 | 175.9 | -101.3 | 0 | 0 | 0 | 111.5 | H20 E25 R30 H61 V268 A269 T270 | H20-Y23 VanDerWaalsContact O-CB 3.24Å; H20-Y23 WeakPolarHBondContact O-CB 3.15Å; H20-Y23 PolarHBondContact O-N 3Å; Y23-E25 PolarHBondContact O-N 2.65Å; Y23-R30 PolarHBondContact OH-NH2 3.18Å; Y23-H61 AromaticContact CD2-CD2 3.96Å; Y23-H61 AromaticContact CD2-CE1 3.63Å; Y23-H61 AromaticContact CD2-ND1 3.89Å; Y23-H61 AromaticContact CD2-NE2 3.62Å; Y23-V268 HydrophobicContact CD1-CG1 4.48Å; Y23-V268 HydrophobicContact CD1-CG2 4.15Å; Y23-A269 VanDerWaalsContact CE1-O 3.24Å; Y23-A269 WeakPolarHBondContact CE1-O 3.44Å; Y23-T270 HydrophobicContact CD2-CG2 4.34Å; Y23-T270 WeakPolarHBondContact CE2-O 3.42Å; Y23-T270 HydrophobicContact CG-CG2 4.46Å; Y23-T270 PolarHBondContact OH-O 3.42Å |
| 24 | A | 93.6 | Very high | 95 | Very high | 29 Ų | 29 | 33 Ų | 33 | 24% | 0.24 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.2 | 29.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | G22 K26 D27 R30 G31 | G22-A24 PolarHBondContact O-N 2.93Å; A24-K26 PolarHBondContact O-N 3.31Å; A24-D27 HydrophobicContact CB-CB 4.17Å; A24-D27 VanDerWaalsContact O-CB 3.25Å; A24-D27 WeakPolarHBondContact O-CB 3.27Å; A24-D27 PolarHBondContact O-N 3.13Å; A24-R30 HydrophobicContact CB-CB 4.25Å; A24-G31 VanDerWaalsContact O-CA 3.22Å; A24-G31 WeakPolarHBondContact O-CA 3.12Å |
| 25 | E | 92.7 | Very high | 94.9 | Very high | 46 Ų | 46 | 33.2 Ų | 33.2 | 22% | 0.215 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -32.6 | -176.8 | -171.9 | -173.7 | 156.7 | 0 | 0 | 113.6 | G22 Y23 D27 F35 S66 R68 S69 | G22-E25 WeakPolarHBondContact O-CB 3.32Å; G22-E25 PolarHBondContact O-N 3.42Å; Y23-E25 PolarHBondContact O-N 2.65Å; E25-D27 VanDerWaalsContact C-N 3.31Å; E25-D27 PolarHBondContact O-N 2.75Å; E25-F35 HydrophobicContact CG-CE2 4.41Å; E25-S66 VanDerWaalsContact CD-OG 3.27Å; E25-S66 PolarHBondContact OE1-OG 2.84Å; E25-S66 VanDerWaalsContact OE2-CB 3.3Å; E25-S66 WeakPolarHBondContact OE2-CB 3.28Å; E25-S66 PolarHBondContact OE2-OG 2.91Å; E25-R68 WeakPolarHBondContact OE1-CB 3.36Å; E25-R68 WeakPolarHBondContact OE1-CD 3.41Å; E25-S69 PolarHBondContact OE2-OG 2.83Å |
| 26 | K | 93.7 | Very high | 94.7 | Very high | 208 Ų | 208 | 35.8 Ų | 35.8 | 90% | 0.904 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -10.8 | 179.9 | -63 | 175.3 | -175.9 | 166.4 | 0 | 113.6 | A24 | A24-K26 PolarHBondContact O-N 3.31Š|
| 27 | D | 92.9 | Very high | 94.6 | Very high | 64 Ų | 64 | 35.7 Ų | 35.7 | 34% | 0.342 | 19% | 0.194 | S | C | . | . | trans | -77.1 | 130 | 179.2 | -170.9 | -84.2 | 0 | 0 | 0 | 110.7 | A24 E25 L29 R30 G31 | A24-D27 HydrophobicContact CB-CB 4.17Å; A24-D27 VanDerWaalsContact O-CB 3.25Å; A24-D27 WeakPolarHBondContact O-CB 3.27Å; A24-D27 PolarHBondContact O-N 3.13Å; E25-D27 VanDerWaalsContact C-N 3.31Å; E25-D27 PolarHBondContact O-N 2.75Å; D27-L29 PolarHBondContact O-N 3.47Å; D27-L29 WeakPolarHBondContact OD1-CA 3.46Å; D27-L29 PolarHBondContact OD1-N 3.46Å; D27-R30 HydrophobicContact CB-CB 4.13Å; D27-R30 PolarHBondContact OD1-N 2.77Å; D27-G31 WeakPolarHBondContact O-CA 3.5Å; D27-G31 PolarHBondContact O-N 2.93Å | ||
| 28 | G | 90.5 | Very high | 94.6 | Very high | 83 Ų | 83 | 35.8 Ų | 35.8 | 86% | 0.856 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -18.4 | -176 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 29 | L | 91.2 | Very high | 94.5 | Very high | 81 Ų | 81 | 36.5 Ų | 36.5 | 42% | 0.424 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.2 | -43.8 | 179.8 | -66.6 | 174.6 | 0 | 0 | 0 | 112.3 | D27 R303 | D27-L29 PolarHBondContact O-N 3.47Å; D27-L29 WeakPolarHBondContact OD1-CA 3.46Å; D27-L29 PolarHBondContact OD1-N 3.46Å; L29-R303 PolarHBondContact O-NH2 3.35Å |
| 30 | R | 93 | Very high | 94.4 | Very high | 34 Ų | 34 | 36.7 Ų | 36.7 | 13% | 0.128 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | -15.2 | -172.6 | -61.9 | 168.1 | 67.5 | -163.5 | 4.5 | 113.6 | Y23 A24 D27 Q32 D33 A419 | Y23-R30 PolarHBondContact OH-NH2 3.18Å; A24-R30 HydrophobicContact CB-CB 4.25Å; D27-R30 HydrophobicContact CB-CB 4.13Å; D27-R30 PolarHBondContact OD1-N 2.77Å; R30-Q32 PolarHBondContact O-N 3.33Å; R30-D33 WeakPolarHBondContact O-CB 3.5Å; R30-D33 VanDerWaalsContact O-CG 3.27Å; R30-D33 PolarHBondContact O-N 3.41Å; R30-A419 HydrophobicContact CG-CB 4.04Å |
| 31 | G | 92.1 | Very high | 94.4 | Very high | 4 Ų | 4 | 36.7 Ų | 36.7 | 4% | 0.041 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -5.2 | -172 | 0 | 0 | 0 | 0 | 0 | 116 | A24 D27 F35 | A24-G31 VanDerWaalsContact O-CA 3.22Å; A24-G31 WeakPolarHBondContact O-CA 3.12Å; D27-G31 WeakPolarHBondContact O-CA 3.5Å; D27-G31 PolarHBondContact O-N 2.93Å; G31-F35 WeakPolarHBondContact O-CD2 3.47Å; G31-F35 WeakPolarHBondContact O-CE2 3.29Å |
| 32 | Q | 92.6 | Very high | 94.4 | Very high | 78 Ų | 78 | 36.6 Ų | 36.6 | 36% | 0.364 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.5 | -7 | 172.2 | -66.9 | -56.4 | -81.5 | 0 | 0 | 114 | R30 F35 R36 | R30-Q32 PolarHBondContact O-N 3.33Å; Q32-F35 PolarHBondContact O-N 3.34Å; Q32-R36 WeakPolarHBondContact O-CG 3.43Å; Q32-R36 PolarHBondContact O-N 3.2Å |
| 33 | D | 94.6 | Very high | 94.4 | Very high | 12 Ų | 12 | 38.5 Ų | 38.5 | 6% | 0.064 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.9 | -51.5 | -170.9 | -66.4 | -2.5 | 0 | 0 | 0 | 111 | R30 F35 R36 T37 V268 R303 | R30-D33 WeakPolarHBondContact O-CB 3.5Å; R30-D33 VanDerWaalsContact O-CG 3.27Å; R30-D33 PolarHBondContact O-N 3.41Å; D33-F35 VanDerWaalsContact C-N 3.29Å; D33-F35 PolarHBondContact O-N 2.9Å; D33-R36 PolarHBondContact O-N 2.98Å; D33-T37 PolarHBondContact O-N 3.49Å; D33-T37 PolarHBondContact O-OG1 3.4Å; D33-V268 HydrophobicContact CB-CG2 4.46Å; D33-R303 IonicContact OD1-CZ 2.69Å; D33-R303 IonicContact OD1-NE 2.76Å; D33-R303 IonicContact OD1-NH2 2.76Å; D33-R303 PolarHBondContact OD1-NH2 3.07Å; D33-R303 IonicContact OD2-CZ 2.83Å; D33-R303 IonicContact OD2-NE 3.51Å; D33-R303 PolarHBondContact OD2-NE 3.27Å; D33-R303 IonicContact OD2-NH2 3.1Å; D33-R303 PolarHBondContact OD2-NH2 3.31Å |
| 34 | S | 95.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.3 | -38.4 | -178.6 | 66.9 | 0 | 0 | 0 | 0 | 112.7 | G22 F38 | G22-S34 PolarHBondContact N-OG 3.28Å; S34-F38 VanDerWaalsContact O-CB 3.29Å; S34-F38 WeakPolarHBondContact O-CB 3.38Å; S34-F38 PolarHBondContact O-N 3.25Å |
| 35 | F | 95.1 | Very high | 94.3 | Very high | 5 Ų | 5 | 36.7 Ų | 36.7 | 2% | 0.022 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -69.7 | -45.2 | -179.7 | -61 | -69.6 | 0 | 0 | 0 | 112.2 | V21 E25 G31 Q32 D33 T37 F38 E39 S69 E72 | V21-F35 HydrophobicContact CG1-CD1 3.58Å; V21-F35 HydrophobicContact CG1-CE1 3.25Å; V21-F35 HydrophobicContact CG1-CZ 4.08Å; E25-F35 HydrophobicContact CG-CE2 4.41Å; G31-F35 WeakPolarHBondContact O-CD2 3.47Å; G31-F35 WeakPolarHBondContact O-CE2 3.29Å; Q32-F35 PolarHBondContact O-N 3.34Å; D33-F35 VanDerWaalsContact C-N 3.29Å; D33-F35 PolarHBondContact O-N 2.9Å; F35-T37 VanDerWaalsContact C-N 3.34Å; F35-F38 PolarHBondContact O-N 2.69Å; F35-E39 WeakPolarHBondContact O-CB 3.49Å; F35-E39 PolarHBondContact O-N 2.77Å; F35-S69 WeakPolarHBondContact CZ-OG 3.45Å; F35-E72 HydrophobicContact CB-CG 4.36Å; F35-E72 HydrophobicContact CD1-CB 3.79Å; F35-E72 HydrophobicContact CD1-CG 3.47Å; F35-E72 VanDerWaalsContact CD1-CG 3.47Å; F35-E72 HydrophobicContact CE1-CB 3.84Å; F35-E72 HydrophobicContact CE1-CG 4.05Å; F35-E72 HydrophobicContact CG-CG 4.13Å |
| 36 | R | 94.1 | Very high | 94.4 | Very high | 54 Ų | 54 | 36.7 Ų | 36.7 | 20% | 0.204 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65.2 | -39.6 | 179.6 | -72.4 | -175.1 | 70.6 | -147.8 | -5.5 | 111.5 | Q32 D33 E39 E40 R383 L385 | Q32-R36 WeakPolarHBondContact O-CG 3.43Å; Q32-R36 PolarHBondContact O-N 3.2Å; D33-R36 PolarHBondContact O-N 2.98Å; R36-E39 PolarHBondContact O-N 3.11Å; R36-E40 PolarHBondContact O-N 3.12Å; R36-R383 PolarHBondContact NH2-O 2.86Å; R36-R383 VanDerWaalsContact NH2-O 3.13Å; R36-L385 PolarHBondContact NH1-O 3.05Å; R36-L385 PolarHBondContact NH2-O 2.84Å |
| 37 | T | 95.9 | Very high | 94.4 | Very high | 2 Ų | 2 | 30.7 Ų | 30.7 | 1% | 0.012 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -72.1 | -38.1 | 177.6 | -52.9 | 0 | 0 | 0 | 0 | 112.4 | D33 F35 E39 E40 I41 S267 L299 T301 V302 | D33-T37 PolarHBondContact O-N 3.49Å; D33-T37 PolarHBondContact O-OG1 3.4Å; F35-T37 VanDerWaalsContact C-N 3.34Å; T37-E39 VanDerWaalsContact C-N 3.33Å; T37-E39 PolarHBondContact O-N 2.92Å; T37-E40 WeakPolarHBondContact O-CB 2.91Å; T37-E40 PolarHBondContact O-N 3.45Å; T37-I41 HydrophobicContact CG2-CD1 4.48Å; T37-I41 WeakPolarHBondContact O-CG1 3.43Å; T37-I41 PolarHBondContact O-N 3.31Å; T37-S267 WeakPolarHBondContact CG2-O 3.39Å; T37-L299 HydrophobicContact CG2-CB 4.49Å; T37-L299 HydrophobicContact CG2-CD1 3.79Å; T37-L299 HydrophobicContact CG2-CD2 4.41Å; T37-L299 HydrophobicContact CG2-CG 4.47Å; T37-T301 WeakPolarHBondContact CA-OG1 3.2Å; T37-T301 WeakPolarHBondContact CB-OG1 3.14Å; T37-T301 PolarHBondContact OG1-OG1 2.87Å; T37-V302 HydrophobicContact CG2-CG2 3.8Å |
| 38 | F | 97.1 | Very high | 94.4 | Very high | 1 Ų | 1 | 30.6 Ų | 30.6 | 0% | 0.004 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.2 | -42.1 | 171.5 | -172.4 | -104.5 | 0 | 0 | 0 | 112.1 | N19 V21 S34 F35 E40 I41 L42 F55 V73 L76 L77 | N19-F38 HydrophobicContact CB-CD2 4.07Å; V21-F38 HydrophobicContact CG2-CB 4.04Å; V21-F38 HydrophobicContact CG2-CD2 4.08Å; V21-F38 HydrophobicContact CG2-CG 3.99Å; S34-F38 VanDerWaalsContact O-CB 3.29Å; S34-F38 WeakPolarHBondContact O-CB 3.38Å; S34-F38 PolarHBondContact O-N 3.25Å; F35-F38 PolarHBondContact O-N 2.69Å; F38-E40 PolarHBondContact O-N 3.33Å; F38-I41 PolarHBondContact O-N 3.17Å; F38-L42 HydrophobicContact CD1-CD1 4.04Å; F38-L42 HydrophobicContact CE1-CD1 3.65Å; F38-L42 HydrophobicContact CE1-CG 4.32Å; F38-L42 HydrophobicContact CZ-CD1 4.25Å; F38-L42 WeakPolarHBondContact O-CG 3.25Å; F38-L42 PolarHBondContact O-N 3.46Å; F38-F55 HydrophobicContact CE2-CE1 4.21Å; F38-F55 HydrophobicContact CE2-CE2 4.08Å; F38-F55 AromaticContact CE2-CZ 3.64Å; F38-F55 HydrophobicContact CE2-CZ 3.64Å; F38-F55 HydrophobicContact CZ-CE2 4.26Å; F38-F55 HydrophobicContact CZ-CZ 4.11Å; F38-V73 HydrophobicContact CE1-CB 4.44Å; F38-V73 HydrophobicContact CE1-CG1 3.99Å; F38-V73 HydrophobicContact CE1-CG2 4.3Å; F38-V73 HydrophobicContact CZ-CG1 4.1Å; F38-L76 HydrophobicContact CD1-CB 4.46Å; F38-L76 HydrophobicContact CD1-CD1 3.82Å; F38-L76 HydrophobicContact CE1-CB 4.42Å; F38-L77 HydrophobicContact CE1-CG 4.49Å; F38-L77 HydrophobicContact CZ-CD2 4.31Å; F38-L77 HydrophobicContact CZ-CG 4.5Å |
| 39 | E | 96.1 | Very high | 94.5 | Very high | 16 Ų | 16 | 30 Ų | 30 | 8% | 0.075 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -61 | -41.4 | 172.9 | 177.9 | 171.6 | -161.6 | 0 | 0 | 112.5 | F35 R36 T37 I41 L42 R43 L76 Y80 | F35-E39 WeakPolarHBondContact O-CB 3.49Å; F35-E39 PolarHBondContact O-N 2.77Å; R36-E39 PolarHBondContact O-N 3.11Å; T37-E39 VanDerWaalsContact C-N 3.33Å; T37-E39 PolarHBondContact O-N 2.92Å; E39-I41 VanDerWaalsContact C-N 3.34Å; E39-I41 PolarHBondContact O-N 2.94Å; E39-L42 PolarHBondContact O-N 2.77Å; E39-R43 WeakPolarHBondContact O-CG 3.44Å; E39-R43 PolarHBondContact O-N 3Å; E39-R43 IonicContact OE1-CZ 3.79Å; E39-R43 IonicContact OE1-NE 3.8Å; E39-R43 IonicContact OE1-NH2 3.31Å; E39-R43 PolarHBondContact OE1-NH2 3.13Å; E39-L76 HydrophobicContact CB-CD1 4.04Å; E39-L76 HydrophobicContact CB-CD2 3.8Å; E39-L76 HydrophobicContact CG-CD2 3.79Å; E39-Y80 HydrophobicContact CG-CE2 3.83Å; E39-Y80 PolarHBondContact OE1-OH 2.67Å |
| 40 | E | 95.5 | Very high | 94.7 | Very high | 4 Ų | 4 | 26.2 Ų | 26.2 | 2% | 0.019 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -58.3 | -45 | 175.4 | 179.9 | 177.7 | -162.5 | 0 | 0 | 111.7 | R36 T37 F38 L42 R43 L44 L299 R300 T301 L384 | R36-E40 PolarHBondContact O-N 3.12Å; T37-E40 WeakPolarHBondContact O-CB 2.91Å; T37-E40 PolarHBondContact O-N 3.45Å; F38-E40 PolarHBondContact O-N 3.33Å; E40-L42 VanDerWaalsContact C-N 3.31Å; E40-L42 PolarHBondContact O-N 3.05Å; E40-R43 WeakPolarHBondContact O-CB 3.34Å; E40-R43 PolarHBondContact O-N 2.98Å; E40-R43 VanDerWaalsContact O-N 3.16Å; E40-L44 HydrophobicContact CG-CD1 4.32Å; E40-L44 HydrophobicContact CG-CG 4.48Å; E40-L44 WeakPolarHBondContact O-CG 3.37Å; E40-L44 PolarHBondContact O-N 2.94Å; E40-L299 HydrophobicContact CG-CD2 4.18Å; E40-R300 VanDerWaalsContact CD-N 3.32Å; E40-R300 WeakPolarHBondContact OE1-CB 3.42Å; E40-R300 PolarHBondContact OE1-N 3.11Å; E40-R300 PolarHBondContact OE2-N 3.39Å; E40-R300 VanDerWaalsContact OE2-N 3.14Å; E40-T301 HydrophobicContact CB-CG2 4.04Å; E40-T301 HydrophobicContact CG-CG2 4.4Å; E40-T301 VanDerWaalsContact OE2-CB 3.27Å; E40-T301 WeakPolarHBondContact OE2-CB 3.47Å; E40-T301 VanDerWaalsContact OE2-CG2 3.32Å; E40-T301 WeakPolarHBondContact OE2-CG2 3.26Å; E40-T301 PolarHBondContact OE2-N 3.19Å; E40-T301 PolarHBondContact OE2-OG1 2.8Å; E40-L384 HydrophobicContact CB-CD2 4.12Å; E40-L384 HydrophobicContact CG-CD2 4.34Å |
| 41 | I | 97 | Very high | 94.9 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -59.2 | -44.5 | 178.7 | -66.1 | 164.5 | 0 | 0 | 0 | 110.6 | L14 S16 N19 T37 F38 E39 L44 A45 F55 V282 L299 | L14-I41 HydrophobicContact CD2-CG2 3.84Å; L14-I41 VanDerWaalsContact CD2-O 3.23Å; L14-I41 WeakPolarHBondContact CD2-O 3.49Å; S16-I41 WeakPolarHBondContact OG-CD1 3.22Å; N19-I41 VanDerWaalsContact ND2-CD1 3.29Å; N19-I41 WeakPolarHBondContact ND2-CD1 3.48Å; T37-I41 HydrophobicContact CG2-CD1 4.48Å; T37-I41 WeakPolarHBondContact O-CG1 3.43Å; T37-I41 PolarHBondContact O-N 3.31Å; F38-I41 PolarHBondContact O-N 3.17Å; E39-I41 VanDerWaalsContact C-N 3.34Å; E39-I41 PolarHBondContact O-N 2.94Å; I41-L44 WeakPolarHBondContact O-CB 3.37Å; I41-L44 PolarHBondContact O-N 3.02Å; I41-A45 PolarHBondContact O-N 3.25Å; I41-F55 HydrophobicContact CG2-CE1 4.26Å; I41-V282 HydrophobicContact CD1-CG1 4.16Å; I41-V282 HydrophobicContact CG1-CG1 3.88Å; I41-V282 HydrophobicContact CG2-CG1 4.41Å; I41-L299 HydrophobicContact CG1-CD2 3.75Å |
| 42 | L | 97 | Very high | 95.2 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -67.2 | -36.9 | 177 | -63.5 | 176.8 | 0 | 0 | 0 | 112.4 | F38 E39 E40 L44 A45 V46 I53 F55 L76 L77 Y80 | F38-L42 HydrophobicContact CD1-CD1 4.04Å; F38-L42 HydrophobicContact CE1-CD1 3.65Å; F38-L42 HydrophobicContact CE1-CG 4.32Å; F38-L42 HydrophobicContact CZ-CD1 4.25Å; F38-L42 WeakPolarHBondContact O-CG 3.25Å; F38-L42 PolarHBondContact O-N 3.46Å; E39-L42 PolarHBondContact O-N 2.77Å; E40-L42 VanDerWaalsContact C-N 3.31Å; E40-L42 PolarHBondContact O-N 3.05Å; L42-L44 VanDerWaalsContact C-N 3.33Å; L42-A45 WeakPolarHBondContact O-CB 3.48Å; L42-A45 PolarHBondContact O-N 3.33Å; L42-V46 PolarHBondContact O-N 3.36Å; L42-I53 HydrophobicContact CD2-CD1 3.64Å; L42-F55 HydrophobicContact CD2-CZ 4.45Å; L42-L76 HydrophobicContact CD1-CB 3.72Å; L42-L77 HydrophobicContact CD1-CD2 4.29Å; L42-L77 HydrophobicContact CD2-CD2 4.03Å; L42-Y80 HydrophobicContact CB-CD2 3.68Å; L42-Y80 HydrophobicContact CB-CE2 4.45Å; L42-Y80 HydrophobicContact CB-CG 3.8Å; L42-Y80 HydrophobicContact CD1-CD2 3.94Å; L42-Y80 HydrophobicContact CG-CD2 4.5Å |
| 43 | R | 94.9 | Very high | 95.4 | Very high | 49 Ų | 49 | 21.2 Ų | 21.2 | 19% | 0.185 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -62.2 | -41 | 171.9 | -76.9 | -178.1 | 177.4 | 169.5 | 7.9 | 112 | E39 E40 A45 V46 S47 Y80 S380 | E39-R43 WeakPolarHBondContact O-CG 3.44Å; E39-R43 PolarHBondContact O-N 3Å; E39-R43 IonicContact OE1-CZ 3.79Å; E39-R43 IonicContact OE1-NE 3.8Å; E39-R43 IonicContact OE1-NH2 3.31Å; E39-R43 PolarHBondContact OE1-NH2 3.13Å; E40-R43 WeakPolarHBondContact O-CB 3.34Å; E40-R43 PolarHBondContact O-N 2.98Å; E40-R43 VanDerWaalsContact O-N 3.16Å; R43-A45 VanDerWaalsContact C-N 3.31Å; R43-A45 PolarHBondContact O-N 3.24Å; R43-V46 PolarHBondContact O-N 2.79Å; R43-S47 WeakPolarHBondContact O-CB 3.49Å; R43-S47 PolarHBondContact O-N 2.97Å; R43-S47 PolarHBondContact O-OG 3.48Å; R43-Y80 HydrophobicContact CG-CD1 4.37Å; R43-Y80 HydrophobicContact CG-CE1 3.53Å; R43-Y80 PolarHBondContact NE-OH 2.89Å; R43-Y80 PolarHBondContact NH2-OH 2.56Å; R43-S380 PolarHBondContact NH2-O 2.69Å |
| 44 | L | 94.2 | Very high | 95.6 | Very high | 30 Ų | 30 | 20.7 Ų | 20.7 | 16% | 0.157 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62.7 | -39 | 175.9 | -71.3 | 173.6 | 0 | 0 | 0 | 111.4 | L14 E40 I41 L42 V46 S47 H48 V282 L299 | L14-L44 HydrophobicContact CD2-CB 4.46Å; E40-L44 HydrophobicContact CG-CD1 4.32Å; E40-L44 HydrophobicContact CG-CG 4.48Å; E40-L44 WeakPolarHBondContact O-CG 3.37Å; E40-L44 PolarHBondContact O-N 2.94Å; I41-L44 WeakPolarHBondContact O-CB 3.37Å; I41-L44 PolarHBondContact O-N 3.02Å; L42-L44 VanDerWaalsContact C-N 3.33Å; L44-V46 VanDerWaalsContact C-N 3.33Å; L44-V46 PolarHBondContact O-N 2.95Å; L44-S47 WeakPolarHBondContact CA-OG 3.48Å; L44-S47 PolarHBondContact O-N 3.47Å; L44-S47 PolarHBondContact O-OG 3.48Å; L44-H48 WeakPolarHBondContact O-CB 3.4Å; L44-H48 PolarHBondContact O-CD2 3.41Å; L44-H48 PolarHBondContact O-N 2.97Å; L44-V282 HydrophobicContact CD1-CG2 3.87Å; L44-L299 HydrophobicContact CD1-CD2 4.01Å |
| 45 | A | 95.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -58.2 | -46.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L14 I41 L42 R43 N49 V50 I53 | L14-A45 HydrophobicContact CD2-CB 3.72Å; I41-A45 PolarHBondContact O-N 3.25Å; L42-A45 WeakPolarHBondContact O-CB 3.48Å; L42-A45 PolarHBondContact O-N 3.33Å; R43-A45 VanDerWaalsContact C-N 3.31Å; R43-A45 PolarHBondContact O-N 3.24Å; A45-N49 PolarHBondContact O-N 2.74Å; A45-V50 HydrophobicContact CB-CG2 3.72Å; A45-V50 WeakPolarHBondContact O-CG2 3.3Å; A45-V50 PolarHBondContact O-N 2.96Å; A45-V50 VanDerWaalsContact O-N 3.12Å; A45-I53 HydrophobicContact CB-CD1 3.5Å; A45-I53 VanDerWaalsContact CB-CD1 3.5Å; A45-I53 HydrophobicContact CB-CG1 3.85Å |
| 46 | V | 94.2 | Very high | 95.8 | Very high | 46 Ų | 46 | 20.5 Ų | 20.5 | 28% | 0.279 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -67.7 | -46.8 | 177.5 | 178.4 | 0 | 0 | 0 | 0 | 111.2 | L42 R43 L44 H48 N49 Y80 I118 | L42-V46 PolarHBondContact O-N 3.36Å; R43-V46 PolarHBondContact O-N 2.79Å; L44-V46 VanDerWaalsContact C-N 3.33Å; L44-V46 PolarHBondContact O-N 2.95Å; V46-H48 VanDerWaalsContact C-N 3.31Å; V46-H48 PolarHBondContact O-N 2.83Å; V46-N49 PolarHBondContact O-N 2.73Å; V46-Y80 HydrophobicContact CG2-CD1 4.1Å; V46-I118 HydrophobicContact CG2-CD1 3.9Å |
| 47 | S | 92.7 | Very high | 95.9 | Very high | 81 Ų | 81 | 18 Ų | 18 | 57% | 0.566 | 10% | 0.097 | S | C | * | . | H | α-helix | trans | -65.2 | -33.5 | -176.2 | 71 | 0 | 0 | 0 | 0 | 113.3 | R43 L44 N49 | R43-S47 WeakPolarHBondContact O-CB 3.49Å; R43-S47 PolarHBondContact O-N 2.97Å; R43-S47 PolarHBondContact O-OG 3.48Å; L44-S47 WeakPolarHBondContact CA-OG 3.48Å; L44-S47 PolarHBondContact O-N 3.47Å; L44-S47 PolarHBondContact O-OG 3.48Å; S47-N49 VanDerWaalsContact C-N 3.32Å |
| 48 | H | 93 | Very high | 96 | Very high | 63 Ų | 63 | 17.9 Ų | 17.9 | 29% | 0.292 | 10% | 0.097 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | 0.3 | 176.2 | -74.4 | -85.5 | 0 | 0 | 0 | 113.6 | R12 L44 V46 V50 L284 | R12-H48 PolarHBondContact NH1-O 3.27Å; L44-H48 WeakPolarHBondContact O-CB 3.4Å; L44-H48 PolarHBondContact O-CD2 3.41Å; L44-H48 PolarHBondContact O-N 2.97Å; V46-H48 VanDerWaalsContact C-N 3.31Å; V46-H48 PolarHBondContact O-N 2.83Å; H48-V50 VanDerWaalsContact C-N 3.33Å; H48-V50 HydrophobicContact CB-CG1 4.05Å; H48-V50 PolarHBondContact O-N 3.02Å; H48-L284 HydrophobicContact CB-CD2 4.42Å |
| 49 | N | 93.5 | Very high | 96 | Very high | 71 Ų | 71 | 18 Ų | 18 | 38% | 0.38 | 10% | 0.097 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.3 | 50.6 | -179.3 | -169.8 | 36.5 | 0 | 0 | 0 | 112.3 | A45 V46 S47 K85 | A45-N49 PolarHBondContact O-N 2.74Å; V46-N49 PolarHBondContact O-N 2.73Å; S47-N49 VanDerWaalsContact C-N 3.32Å; N49-K85 VanDerWaalsContact OD1-CE 3.25Å; N49-K85 WeakPolarHBondContact OD1-CE 3.28Å; N49-K85 PolarHBondContact OD1-NZ 3.3Å |
| 50 | V | 95.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 9% | 0.094 | C | C | . | . | trans | -68.9 | 155.6 | -178.8 | -53.6 | 0 | 0 | 0 | 0 | 111.4 | R12 L14 A45 H48 I53 K85 I118 L284 | R12-V50 HydrophobicContact CB-CB 4.47Å; L14-V50 HydrophobicContact CB-CG1 4.12Å; L14-V50 HydrophobicContact CB-CG2 4.27Å; A45-V50 HydrophobicContact CB-CG2 3.72Å; A45-V50 WeakPolarHBondContact O-CG2 3.3Å; A45-V50 PolarHBondContact O-N 2.96Å; A45-V50 VanDerWaalsContact O-N 3.12Å; H48-V50 VanDerWaalsContact C-N 3.33Å; H48-V50 HydrophobicContact CB-CG1 4.05Å; H48-V50 PolarHBondContact O-N 3.02Å; V50-I53 HydrophobicContact CG2-CG1 4.34Å; V50-K85 PolarHBondContact O-NZ 3.5Å; V50-I118 HydrophobicContact CG2-CG2 4.05Å; V50-L284 HydrophobicContact CG1-CD1 3.72Å | ||
| 51 | D | 96.8 | Very high | 96.1 | Very high | 6 Ų | 6 | 19.2 Ų | 19.2 | 3% | 0.032 | 10% | 0.103 | C | C | . | . | S | Bend | trans | -77.5 | -43.6 | 176.5 | -67 | -60 | 0 | 0 | 0 | 111.1 | L11 R12 F89 P119 K169 | L11-D51 WeakPolarHBondContact CA-OD2 3.45Å; L11-D51 HydrophobicContact CD1-CB 3.92Å; R12-D51 PolarHBondContact N-OD2 2.68Å; R12-D51 WeakPolarHBondContact O-CB 3.45Å; R12-D51 PolarHBondContact O-N 3.44Å; D51-F89 HydrophobicContact CB-CD1 4.05Å; D51-F89 HydrophobicContact CB-CE1 4.26Å; D51-P119 WeakPolarHBondContact O-CD 3.24Å; D51-K169 IonicContact OD1-NZ 3.51Å; D51-K169 PolarHBondContact OD1-NZ 3.12Å; D51-K169 IonicContact OD2-NZ 3.49Å; D51-K169 PolarHBondContact OD2-NZ 3.39Å |
| 52 | F | 97.4 | Very high | 96 | Very high | 4 Ų | 4 | 24 Ų | 24 | 2% | 0.018 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 166.7 | 173.1 | 66.6 | -94.6 | 0 | 0 | 0 | 111.8 | L11 V13 L14 L54 F89 P119 F121 L167 | L11-F52 HydrophobicContact CD1-CD1 4.35Å; L11-F52 HydrophobicContact CD1-CE1 4.02Å; L11-F52 HydrophobicContact CD2-CE1 3.82Å; L11-F52 HydrophobicContact CD2-CZ 4.42Å; L11-F52 HydrophobicContact CG-CE1 3.98Å; V13-F52 WeakPolarHBondContact CA-O 3.27Å; V13-F52 HydrophobicContact CB-CE2 4.19Å; V13-F52 HydrophobicContact CB-CZ 4.19Å; V13-F52 HydrophobicContact CG1-CD2 3.8Å; V13-F52 HydrophobicContact CG1-CE2 3.36Å; V13-F52 HydrophobicContact CG1-CZ 3.82Å; V13-F52 HydrophobicContact CG2-CD1 4.16Å; V13-F52 HydrophobicContact CG2-CD2 4.39Å; V13-F52 HydrophobicContact CG2-CE1 3.51Å; V13-F52 HydrophobicContact CG2-CE2 3.78Å; V13-F52 HydrophobicContact CG2-CZ 3.28Å; L14-F52 PolarHBondContact N-O 3.06Å; L14-F52 VanDerWaalsContact N-O 3.13Å; F52-L54 HydrophobicContact CE2-CB 4.26Å; F52-F89 HydrophobicContact CB-CE1 4.1Å; F52-F89 HydrophobicContact CB-CZ 4.21Å; F52-F89 HydrophobicContact CD1-CD1 4.37Å; F52-F89 AromaticContact CD1-CE1 3.81Å; F52-F89 HydrophobicContact CD1-CE1 3.81Å; F52-F89 HydrophobicContact CD1-CZ 4Å; F52-F89 HydrophobicContact CG-CE1 4.42Å; F52-F89 HydrophobicContact CG-CZ 4.45Å; F52-P119 CarbonylContact C-O 3.58Å; F52-P119 VanDerWaalsContact CA-O 3.24Å; F52-P119 WeakPolarHBondContact CA-O 3.44Å; F52-P119 HydrophobicContact CB-CB 4.26Å; F52-P119 WeakPolarHBondContact CB-O 3.47Å; F52-F121 HydrophobicContact CB-CD2 4.25Å; F52-F121 HydrophobicContact CB-CE2 4.37Å; F52-F121 AromaticContact CD2-CD2 3.73Å; F52-F121 HydrophobicContact CD2-CD2 3.73Å; F52-F121 HydrophobicContact CD2-CE2 4.37Å; F52-F121 HydrophobicContact CE2-CD2 4.25Å; F52-F121 HydrophobicContact CG-CD2 4.08Å; F52-F121 HydrophobicContact CG-CE2 4.3Å; F52-L167 HydrophobicContact CE1-CD1 3.76Å; F52-L167 HydrophobicContact CZ-CD1 3.92Å |
| 53 | I | 98.2 | Very high | 95.8 | Very high | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 138.6 | 174.2 | -53.6 | 176.6 | 0 | 0 | 0 | 109 | L14 L42 A45 V50 F55 I118 P119 V120 F121 | L14-I53 HydrophobicContact CB-CG1 4.39Å; L14-I53 CarbonylContact O-C 3.57Å; L14-I53 WeakPolarHBondContact O-CA 3.33Å; L42-I53 HydrophobicContact CD2-CD1 3.64Å; A45-I53 HydrophobicContact CB-CD1 3.5Å; A45-I53 VanDerWaalsContact CB-CD1 3.5Å; A45-I53 HydrophobicContact CB-CG1 3.85Å; V50-I53 HydrophobicContact CG2-CG1 4.34Å; I53-F55 HydrophobicContact CG2-CD1 4.17Å; I53-F55 HydrophobicContact CG2-CD2 4.36Å; I53-F55 HydrophobicContact CG2-CE1 3.75Å; I53-F55 HydrophobicContact CG2-CE2 3.97Å; I53-F55 HydrophobicContact CG2-CG 4.44Å; I53-F55 HydrophobicContact CG2-CZ 3.64Å; I53-I118 HydrophobicContact CD1-CG2 4.26Å; I53-I118 HydrophobicContact CG1-CG2 3.91Å; I53-P119 PolarHBondContact N-O 2.75Å; I53-V120 HydrophobicContact CB-CG1 4.37Å; I53-V120 HydrophobicContact CB-CG2 4.19Å; I53-V120 HydrophobicContact CD1-CG2 4.25Å; I53-V120 CarbonylContact O-C 3.52Å; I53-V120 WeakPolarHBondContact O-CA 3.24Å; I53-F121 PolarHBondContact O-N 3.45Å |
| 54 | L | 98.3 | Very high | 95.8 | Very high | 2 Ų | 2 | 32.3 Ų | 32.3 | 1% | 0.01 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 113.2 | 175.2 | 179.3 | 61.9 | 0 | 0 | 0 | 109.8 | V13 L14 V15 S16 F52 F121 F151 L176 I240 | V13-L54 HydrophobicContact CG1-CB 3.8Å; L14-L54 PolarHBondContact O-N 3.4Å; V15-L54 WeakPolarHBondContact CA-O 3.31Å; V15-L54 HydrophobicContact CG2-CB 4.43Å; V15-L54 HydrophobicContact CG2-CD2 4.43Å; S16-L54 PolarHBondContact N-O 3Å; F52-L54 HydrophobicContact CE2-CB 4.26Å; L54-F121 CarbonylContact C-O 3.53Å; L54-F121 WeakPolarHBondContact CA-O 3.4Å; L54-F121 HydrophobicContact CD1-CB 4.14Å; L54-F151 HydrophobicContact CD1-CE1 3.97Å; L54-F151 HydrophobicContact CD1-CZ 3.91Å; L54-L176 HydrophobicContact CD1-CD1 4.32Å; L54-L176 HydrophobicContact CD1-CD2 4.17Å; L54-L176 HydrophobicContact CD2-CD1 4.02Å; L54-I240 HydrophobicContact CD2-CG1 4.4Å |
| 55 | F | 98.1 | Very high | 95.8 | Very high | 1 Ų | 1 | 32 Ų | 32 | 0% | 0.004 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 117.5 | 173.7 | -66.8 | -51.6 | 0 | 0 | 0 | 111.2 | S16 N19 F38 I41 L42 I53 G57 I59 V120 F121 T122 I123 | S16-F55 VanDerWaalsContact O-CA 3.26Å; S16-F55 WeakPolarHBondContact O-CA 3.47Å; N19-F55 WeakPolarHBondContact OD1-CD1 3.36Å; F38-F55 HydrophobicContact CE2-CE1 4.21Å; F38-F55 HydrophobicContact CE2-CE2 4.08Å; F38-F55 AromaticContact CE2-CZ 3.64Å; F38-F55 HydrophobicContact CE2-CZ 3.64Å; F38-F55 HydrophobicContact CZ-CE2 4.26Å; F38-F55 HydrophobicContact CZ-CZ 4.11Å; I41-F55 HydrophobicContact CG2-CE1 4.26Å; L42-F55 HydrophobicContact CD2-CZ 4.45Å; I53-F55 HydrophobicContact CG2-CD1 4.17Å; I53-F55 HydrophobicContact CG2-CD2 4.36Å; I53-F55 HydrophobicContact CG2-CE1 3.75Å; I53-F55 HydrophobicContact CG2-CE2 3.97Å; I53-F55 HydrophobicContact CG2-CG 4.44Å; I53-F55 HydrophobicContact CG2-CZ 3.64Å; F55-G57 PolarHBondContact O-N 3.31Å; F55-I59 HydrophobicContact CB-CD1 4.22Å; F55-I59 HydrophobicContact CB-CG1 4.22Å; F55-I59 HydrophobicContact CD2-CD1 3.93Å; F55-I59 HydrophobicContact CD2-CG1 4.38Å; F55-I59 HydrophobicContact CG-CD1 4.35Å; F55-I59 HydrophobicContact CG-CG1 4.4Å; F55-V120 HydrophobicContact CD2-CG1 3.39Å; F55-V120 HydrophobicContact CE2-CG1 3.47Å; F55-V120 VanDerWaalsContact CE2-CG1 3.47Å; F55-F121 PolarHBondContact N-O 2.8Å; F55-T122 WeakPolarHBondContact CB-OG1 3.47Å; F55-T122 VanDerWaalsContact O-CA 3.25Å; F55-T122 WeakPolarHBondContact O-CA 3.28Å; F55-T122 PolarHBondContact O-OG1 3.47Å; F55-T122 VanDerWaalsContact O-OG1 3.05Å; F55-I123 PolarHBondContact O-N 3.5Å |
| 56 | A | 97.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.174 | C | C | . | . | trans | -86.7 | 31.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | S16 T17 T213 H215 I240 | S16-A56 PolarHBondContact O-N 3.06Å; T17-A56 WeakPolarHBondContact OG1-CB 3.47Å; T17-A56 PolarHBondContact OG1-O 3.21Å; A56-T213 HydrophobicContact CB-CG2 3.26Å; A56-H215 PolarHBondContact O-ND1 3.19Å; A56-I240 HydrophobicContact CB-CG2 3.89Å | ||
| 57 | G | 95.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | S | Bend | trans | 105.1 | 172 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | D18 F55 I59 I123 H215 | D18-G57 PolarHBondContact N-O 3.42Å; F55-G57 PolarHBondContact O-N 3.31Å; G57-I59 PolarHBondContact O-N 3.28Å; G57-I123 VanDerWaalsContact CA-O 3.27Å; G57-I123 WeakPolarHBondContact CA-O 3.48Å; G57-I123 PolarHBondContact N-O 3.39Å; G57-H215 WeakPolarHBondContact CA-ND1 3.39Å |
| 58 | D | 97.3 | Very high | 96 | Very high | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | trans | 50.4 | 52.3 | 180 | -80.1 | 9.5 | 0 | 0 | 0 | 113.1 | D18 N19 H20 F60 G125 N126 H127 D128 H215 | D18-D58 CarbonylContact C-O 3.5Å; D18-D58 HydrophobicContact CB-CB 4.44Å; N19-D58 PolarHBondContact N-O 2.95Å; H20-D58 IonicContact CE1-OD2 3.44Å; H20-D58 PolarHBondContact CE1-OD2 2.81Å; H20-D58 PolarHBondContact N-O 3.38Å; H20-D58 IonicContact NE2-OD2 3.66Å; H20-D58 PolarHBondContact NE2-OD2 2.88Å; D58-F60 VanDerWaalsContact C-N 3.28Å; D58-G125 VanDerWaalsContact OD1-C 3.26Å; D58-G125 WeakPolarHBondContact OD1-CA 3.39Å; D58-N126 PolarHBondContact OD1-N 3.35Å; D58-N126 PolarHBondContact OD2-OD1 3.08Å; D58-H127 PolarHBondContact OD1-N 3.01Å; D58-H127 IonicContact OD2-CD2 2.77Å; D58-H127 PolarHBondContact OD2-CD2 2.97Å; D58-H127 IonicContact OD2-CG 3.2Å; D58-D128 PolarHBondContact N-OD1 2.89Å; D58-H215 IonicContact OD1-CE1 2.77Å; D58-H215 IonicContact OD1-NE2 3.11Å; D58-H215 IonicContact OD2-CE1 3.13Å; D58-H215 IonicContact OD2-NE2 3.11Å | ||
| 59 | I | 97.2 | Very high | 96.2 | Very high | 3 Ų | 3 | 38.2 Ų | 38.2 | 2% | 0.015 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -62.8 | -43.2 | 171.3 | -65.7 | 178 | 0 | 0 | 0 | 109 | H20 V21 F55 G57 T122 D128 | H20-I59 PolarHBondContact N-O 2.89Å; V21-I59 WeakPolarHBondContact CB-O 3.27Å; V21-I59 WeakPolarHBondContact CG2-O 3.44Å; V21-I59 PolarHBondContact N-O 2.95Å; F55-I59 HydrophobicContact CB-CD1 4.22Å; F55-I59 HydrophobicContact CB-CG1 4.22Å; F55-I59 HydrophobicContact CD2-CD1 3.93Å; F55-I59 HydrophobicContact CD2-CG1 4.38Å; F55-I59 HydrophobicContact CG-CD1 4.35Å; F55-I59 HydrophobicContact CG-CG1 4.4Å; G57-I59 PolarHBondContact O-N 3.28Å; I59-T122 HydrophobicContact CD1-CG2 4.06Å; I59-T122 WeakPolarHBondContact CD1-OG1 3.48Å; I59-D128 PolarHBondContact N-OD2 3Å |
| 60 | F | 97.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 17% | 0.169 | C | C | . | . | B | Isolated β-bridge | trans | -106.6 | 146.8 | 179.5 | -63.6 | -77.8 | 0 | 0 | 0 | 111.6 | V21 D58 P65 L70 V73 H127 D128 A138 L142 | V21-F60 HydrophobicContact CB-CD1 4.34Å; D58-F60 VanDerWaalsContact C-N 3.28Å; F60-P65 HydrophobicContact CB-CB 4.29Å; F60-P65 HydrophobicContact CD1-CB 3.5Å; F60-P65 VanDerWaalsContact CD1-CB 3.5Å; F60-P65 HydrophobicContact CD1-CG 3.96Å; F60-P65 HydrophobicContact CD2-CG 4.4Å; F60-P65 HydrophobicContact CE1-CB 3.92Å; F60-P65 HydrophobicContact CE1-CG 4.15Å; F60-P65 HydrophobicContact CG-CB 3.94Å; F60-P65 HydrophobicContact CG-CG 4.08Å; F60-P65 HydrophobicContact CZ-CG 4.44Å; F60-L70 HydrophobicContact CE1-CD1 4.41Å; F60-L70 HydrophobicContact CZ-CD1 3.81Å; F60-V73 HydrophobicContact CE1-CB 4.12Å; F60-V73 HydrophobicContact CE1-CG2 3.66Å; F60-V73 HydrophobicContact CZ-CB 4.08Å; F60-V73 HydrophobicContact CZ-CG1 4.1Å; F60-V73 HydrophobicContact CZ-CG2 4.05Å; F60-H127 WeakPolarHBondContact O-CB 3.43Å; F60-D128 HydrophobicContact CB-CB 4.48Å; F60-A138 HydrophobicContact CD2-CB 3.4Å; F60-A138 HydrophobicContact CE2-CB 3.72Å; F60-A138 HydrophobicContact CG-CB 4.18Å; F60-L142 HydrophobicContact CE2-CD1 3.71Å; F60-L142 HydrophobicContact CE2-CG 4.31Å; F60-L142 HydrophobicContact CZ-CD1 3.91Å; F60-L142 HydrophobicContact CZ-CG 4.4Å |
| 61 | H | 96.7 | Very high | 96.4 | Very high | 46 Ų | 46 | 41.6 Ų | 41.6 | 21% | 0.213 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -79.7 | -26.6 | 175.6 | -174.3 | 60.2 | 0 | 0 | 0 | 113.5 | H20 V21 Y23 H127 | H20-H61 HydrophobicContact CB-CB 4.08Å; H20-H61 AromaticContact CE1-ND1 3.94Å; H20-H61 AromaticContact CG-ND1 3.88Å; H20-H61 AromaticContact ND1-CG 3.84Å; H20-H61 AromaticContact ND1-ND1 3Å; H20-H61 PolarHBondContact ND1-ND1 3.04Å; V21-H61 PolarHBondContact O-N 3.17Å; Y23-H61 AromaticContact CD2-CD2 3.96Å; Y23-H61 AromaticContact CD2-CE1 3.63Å; Y23-H61 AromaticContact CD2-ND1 3.89Å; Y23-H61 AromaticContact CD2-NE2 3.62Å; H61-H127 AromaticContact CE1-CE1 3.75Å; H61-H127 AromaticContact ND1-CE1 3.92Å; H61-H127 AromaticContact ND1-ND1 3.85Å; H61-H127 PolarHBondContact O-ND1 2.75Å |
| 62 | E | 94.5 | Very high | 96.3 | Very high | 101 Ų | 101 | 43.1 Ų | 43.1 | 47% | 0.472 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -115.2 | 138.9 | 178.3 | -65.2 | -175.1 | -179.4 | 0 | 0 | 109.2 | R64 P65 H127 | E62-R64 PolarHBondContact O-N 2.94Å; E62-P65 WeakPolarHBondContact O-CD 3.31Å; E62-H127 CarbonylContact C-O 3.54Å |
| 63 | S | 93.3 | Very high | 96.3 | Very high | 45 Ų | 45 | 42.9 Ų | 42.9 | 32% | 0.315 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -60.9 | -26.8 | 177.1 | 59.3 | 0 | 0 | 0 | 0 | 112.7 | P65 H127 | S63-P65 WeakPolarHBondContact O-CD 3.42Å; S63-H127 WeakPolarHBondContact CA-O 3.41Å; S63-H127 VanDerWaalsContact CB-O 3.24Å; S63-H127 WeakPolarHBondContact CB-O 3.49Å; S63-H127 PolarHBondContact N-O 3.17Å |
| 64 | R | 93.6 | Very high | 96.2 | Very high | 177 Ų | 177 | 45.2 Ų | 45.2 | 67% | 0.668 | 21% | 0.212 | S | C | * | . | S | Bend | trans | -114.8 | 84.3 | 168.1 | -63.2 | -170.9 | -178.9 | 99.3 | 3.4 | 108.8 | E62 | E62-R64 PolarHBondContact O-N 2.94Š|
| 65 | P | 95 | Very high | 96.2 | Very high | 24 Ų | 24 | 49.1 Ų | 49.1 | 16% | 0.156 | 23% | 0.226 | C | C | . | . | trans | -60.1 | 147.6 | -177.4 | 25.4 | -34.6 | 0 | 0 | 0 | 111 | F60 E62 S63 L70 A138 | F60-P65 HydrophobicContact CB-CB 4.29Å; F60-P65 HydrophobicContact CD1-CB 3.5Å; F60-P65 VanDerWaalsContact CD1-CB 3.5Å; F60-P65 HydrophobicContact CD1-CG 3.96Å; F60-P65 HydrophobicContact CD2-CG 4.4Å; F60-P65 HydrophobicContact CE1-CB 3.92Å; F60-P65 HydrophobicContact CE1-CG 4.15Å; F60-P65 HydrophobicContact CG-CB 3.94Å; F60-P65 HydrophobicContact CG-CG 4.08Å; F60-P65 HydrophobicContact CZ-CG 4.44Å; E62-P65 WeakPolarHBondContact O-CD 3.31Å; S63-P65 WeakPolarHBondContact O-CD 3.42Å; P65-L70 HydrophobicContact CG-CB 4.45Å; P65-A138 HydrophobicContact CG-CB 3.87Å | ||
| 66 | S | 96 | Very high | 96.1 | Very high | 32 Ų | 32 | 49.1 Ų | 49.1 | 22% | 0.224 | 23% | 0.226 | C | C | . | . | trans | -59.3 | 153.5 | 174 | 80.6 | 0 | 0 | 0 | 0 | 110.9 | E25 R68 S69 L70 | E25-S66 VanDerWaalsContact CD-OG 3.27Å; E25-S66 PolarHBondContact OE1-OG 2.84Å; E25-S66 VanDerWaalsContact OE2-CB 3.3Å; E25-S66 WeakPolarHBondContact OE2-CB 3.28Å; E25-S66 PolarHBondContact OE2-OG 2.91Å; S66-R68 PolarHBondContact O-N 3.33Å; S66-R68 VanDerWaalsContact O-N 3.14Å; S66-S69 PolarHBondContact O-N 3.39Å; S66-S69 WeakPolarHBondContact OG-CB 3.4Å; S66-S69 PolarHBondContact OG-N 3.42Å; S66-S69 PolarHBondContact OG-OG 3.41Å; S66-S69 VanDerWaalsContact OG-OG 3.13Å; S66-L70 PolarHBondContact O-N 3.1Å | ||
| 67 | M | 95.9 | Very high | 96.1 | Very high | 158 Ų | 158 | 49.2 Ų | 49.2 | 78% | 0.778 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -54.6 | -35.5 | 175.8 | -71.8 | -59.2 | -61.4 | 0 | 0 | 112.2 | H71 | M67-H71 WeakPolarHBondContact O-CB 3.25Å; M67-H71 PolarHBondContact O-N 3.36Å |
| 68 | R | 95.2 | Very high | 96.1 | Very high | 129 Ų | 129 | 56.6 Ų | 56.6 | 49% | 0.487 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -66.3 | -47.4 | 175.4 | -175.4 | -173.2 | -172.1 | 177.3 | -0.1 | 110.9 | E25 S66 H71 E72 | E25-R68 WeakPolarHBondContact OE1-CB 3.36Å; E25-R68 WeakPolarHBondContact OE1-CD 3.41Å; S66-R68 PolarHBondContact O-N 3.33Å; S66-R68 VanDerWaalsContact O-N 3.14Å; R68-H71 PolarHBondContact O-N 2.89Å; R68-E72 VanDerWaalsContact O-CB 3.32Å; R68-E72 WeakPolarHBondContact O-CB 3.44Å; R68-E72 PolarHBondContact O-N 2.7Å |
| 69 | S | 96.3 | Very high | 96 | Very high | 1 Ų | 1 | 57.6 Ų | 57.6 | 1% | 0.007 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.8 | -48.6 | -179 | -71.1 | 0 | 0 | 0 | 0 | 111.8 | G22 E25 F35 S66 E72 V73 | G22-S69 VanDerWaalsContact CA-OG 3.27Å; G22-S69 WeakPolarHBondContact CA-OG 3.33Å; E25-S69 PolarHBondContact OE2-OG 2.83Å; F35-S69 WeakPolarHBondContact CZ-OG 3.45Å; S66-S69 PolarHBondContact O-N 3.39Å; S66-S69 WeakPolarHBondContact OG-CB 3.4Å; S66-S69 PolarHBondContact OG-N 3.42Å; S66-S69 PolarHBondContact OG-OG 3.41Å; S66-S69 VanDerWaalsContact OG-OG 3.13Å; S69-E72 PolarHBondContact O-N 2.99Å; S69-V73 WeakPolarHBondContact O-CG2 3.48Å; S69-V73 PolarHBondContact O-N 2.93Å; S69-V73 VanDerWaalsContact O-N 3.12Å |
| 70 | L | 96.3 | Very high | 95.9 | Very high | 25 Ų | 25 | 58.7 Ų | 58.7 | 13% | 0.131 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.8 | -47.5 | 177.4 | -174.3 | 63.3 | 0 | 0 | 0 | 111.9 | F60 P65 S66 E72 V73 M74 L141 L142 | F60-L70 HydrophobicContact CE1-CD1 4.41Å; F60-L70 HydrophobicContact CZ-CD1 3.81Å; P65-L70 HydrophobicContact CG-CB 4.45Å; S66-L70 PolarHBondContact O-N 3.1Å; L70-E72 VanDerWaalsContact C-N 3.31Å; L70-E72 PolarHBondContact O-N 3.4Å; L70-V73 PolarHBondContact O-N 3.33Å; L70-M74 HydrophobicContact CD1-CE 3.97Å; L70-M74 HydrophobicContact CD2-CE 4.32Å; L70-M74 HydrophobicContact CG-CE 4.04Å; L70-M74 HydrophobicContact CG-SD 4.3Å; L70-M74 WeakPolarHBondContact O-CB 3.33Å; L70-M74 VanDerWaalsContact O-CG 3.31Å; L70-M74 WeakPolarHBondContact O-CG 3.44Å; L70-M74 PolarHBondContact O-N 3.33Å; L70-L141 HydrophobicContact CD2-CD1 4.14Å; L70-L142 HydrophobicContact CD1-CD2 4.02Å |
| 71 | H | 96.8 | Very high | 95.9 | Very high | 118 Ų | 118 | 58.9 Ų | 58.9 | 55% | 0.546 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -58.2 | -44.1 | 178.1 | 173.2 | -83.9 | 0 | 0 | 0 | 111.6 | M67 R68 M74 R75 | M67-H71 WeakPolarHBondContact O-CB 3.25Å; M67-H71 PolarHBondContact O-N 3.36Å; R68-H71 PolarHBondContact O-N 2.89Å; H71-M74 PolarHBondContact O-N 3.44Å; H71-R75 VanDerWaalsContact O-CB 3.27Å; H71-R75 WeakPolarHBondContact O-CB 3.41Å; H71-R75 PolarHBondContact O-N 2.71Å |
| 72 | E | 95.5 | Very high | 95.8 | Very high | 37 Ų | 37 | 58.4 Ų | 58.4 | 17% | 0.173 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -69.3 | -41.2 | -176.2 | -168.9 | 63.3 | -179.1 | 0 | 0 | 112.3 | F35 R68 S69 L70 R75 L76 | F35-E72 HydrophobicContact CB-CG 4.36Å; F35-E72 HydrophobicContact CD1-CB 3.79Å; F35-E72 HydrophobicContact CD1-CG 3.47Å; F35-E72 VanDerWaalsContact CD1-CG 3.47Å; F35-E72 HydrophobicContact CE1-CB 3.84Å; F35-E72 HydrophobicContact CE1-CG 4.05Å; F35-E72 HydrophobicContact CG-CG 4.13Å; R68-E72 VanDerWaalsContact O-CB 3.32Å; R68-E72 WeakPolarHBondContact O-CB 3.44Å; R68-E72 PolarHBondContact O-N 2.7Å; S69-E72 PolarHBondContact O-N 2.99Å; L70-E72 VanDerWaalsContact C-N 3.31Å; L70-E72 PolarHBondContact O-N 3.4Å; E72-R75 PolarHBondContact O-N 3.24Å; E72-R75 IonicContact OE1-CZ 3.71Å; E72-R75 IonicContact OE1-NE 2.84Å; E72-R75 PolarHBondContact OE1-NE 3.2Å; E72-R75 IonicContact OE1-NH2 3.74Å; E72-R75 PolarHBondContact OE1-NH2 3.44Å; E72-R75 IonicContact OE2-CZ 3.58Å; E72-R75 IonicContact OE2-NE 2.65Å; E72-R75 PolarHBondContact OE2-NE 2.93Å; E72-R75 IonicContact OE2-NH2 3.38Å; E72-L76 HydrophobicContact CG-CD1 4.15Å; E72-L76 WeakPolarHBondContact O-CB 3.26Å; E72-L76 VanDerWaalsContact O-CG 3.25Å; E72-L76 WeakPolarHBondContact O-CG 3.45Å; E72-L76 PolarHBondContact O-N 3.43Å |
| 73 | V | 97.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.6 | -47.6 | 172.5 | 173.1 | 0 | 0 | 0 | 0 | 110.7 | V21 F38 F60 S69 L70 R75 L76 L77 L142 | V21-V73 HydrophobicContact CB-CG2 4Å; V21-V73 HydrophobicContact CG1-CG2 3.61Å; V21-V73 HydrophobicContact CG2-CG2 4.04Å; F38-V73 HydrophobicContact CE1-CB 4.44Å; F38-V73 HydrophobicContact CE1-CG1 3.99Å; F38-V73 HydrophobicContact CE1-CG2 4.3Å; F38-V73 HydrophobicContact CZ-CG1 4.1Å; F60-V73 HydrophobicContact CE1-CB 4.12Å; F60-V73 HydrophobicContact CE1-CG2 3.66Å; F60-V73 HydrophobicContact CZ-CB 4.08Å; F60-V73 HydrophobicContact CZ-CG1 4.1Å; F60-V73 HydrophobicContact CZ-CG2 4.05Å; S69-V73 WeakPolarHBondContact O-CG2 3.48Å; S69-V73 PolarHBondContact O-N 2.93Å; S69-V73 VanDerWaalsContact O-N 3.12Å; L70-V73 PolarHBondContact O-N 3.33Å; V73-R75 VanDerWaalsContact C-N 3.34Å; V73-R75 PolarHBondContact O-N 3.45Å; V73-L76 PolarHBondContact O-N 2.93Å; V73-L77 HydrophobicContact CG1-CD1 3.74Å; V73-L77 HydrophobicContact CG1-CG 4.3Å; V73-L77 WeakPolarHBondContact O-CB 3.42Å; V73-L77 WeakPolarHBondContact O-CG 3.32Å; V73-L77 PolarHBondContact O-N 2.97Å; V73-L142 HydrophobicContact CG1-CD1 3.86Å; V73-L142 HydrophobicContact CG1-CD2 4.2Å |
| 74 | M | 97.2 | Very high | 95.5 | Very high | 50 Ų | 50 | 56.4 Ų | 56.4 | 25% | 0.246 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.4 | -44.4 | 176.9 | -72.7 | -177.5 | 168.4 | 0 | 0 | 112 | L70 H71 R78 L142 A145 L147 | L70-M74 HydrophobicContact CD1-CE 3.97Å; L70-M74 HydrophobicContact CD2-CE 4.32Å; L70-M74 HydrophobicContact CG-CE 4.04Å; L70-M74 HydrophobicContact CG-SD 4.3Å; L70-M74 WeakPolarHBondContact O-CB 3.33Å; L70-M74 VanDerWaalsContact O-CG 3.31Å; L70-M74 WeakPolarHBondContact O-CG 3.44Å; L70-M74 PolarHBondContact O-N 3.33Å; H71-M74 PolarHBondContact O-N 3.44Å; M74-R78 WeakPolarHBondContact O-CB 3.27Å; M74-R78 WeakPolarHBondContact O-CG 3.38Å; M74-R78 PolarHBondContact O-N 3.21Å; M74-L142 HydrophobicContact CE-CD2 3.93Å; M74-L142 HydrophobicContact CG-CD2 3.53Å; M74-A145 HydrophobicContact CE-CB 4.27Å; M74-L147 HydrophobicContact CB-CD1 3.88Å; M74-L147 HydrophobicContact CG-CD1 3.78Å |
| 75 | R | 96.8 | Very high | 95.4 | Very high | 83 Ų | 83 | 50.4 Ų | 50.4 | 31% | 0.313 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -59.3 | -49.1 | 178 | -173.6 | -170.4 | 73.3 | 75.5 | -2.3 | 111 | H71 E72 V73 R78 I79 | H71-R75 VanDerWaalsContact O-CB 3.27Å; H71-R75 WeakPolarHBondContact O-CB 3.41Å; H71-R75 PolarHBondContact O-N 2.71Å; E72-R75 PolarHBondContact O-N 3.24Å; E72-R75 IonicContact OE1-CZ 3.71Å; E72-R75 IonicContact OE1-NE 2.84Å; E72-R75 PolarHBondContact OE1-NE 3.2Å; E72-R75 IonicContact OE1-NH2 3.74Å; E72-R75 PolarHBondContact OE1-NH2 3.44Å; E72-R75 IonicContact OE2-CZ 3.58Å; E72-R75 IonicContact OE2-NE 2.65Å; E72-R75 PolarHBondContact OE2-NE 2.93Å; E72-R75 IonicContact OE2-NH2 3.38Å; V73-R75 VanDerWaalsContact C-N 3.34Å; V73-R75 PolarHBondContact O-N 3.45Å; R75-R78 PolarHBondContact O-N 3.36Å; R75-I79 HydrophobicContact CG-CD1 4.04Å; R75-I79 WeakPolarHBondContact O-CD1 3.43Å; R75-I79 VanDerWaalsContact O-CG1 3.29Å; R75-I79 WeakPolarHBondContact O-CG1 3.45Å; R75-I79 PolarHBondContact O-N 3.42Å; R75-I79 VanDerWaalsContact O-N 3.16Å |
| 76 | L | 96.6 | Very high | 95.3 | Very high | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -66 | -46.6 | -178.4 | -70.3 | 171.6 | 0 | 0 | 0 | 111.6 | F38 E39 L42 E72 V73 R78 I79 Y80 | F38-L76 HydrophobicContact CD1-CB 4.46Å; F38-L76 HydrophobicContact CD1-CD1 3.82Å; F38-L76 HydrophobicContact CE1-CB 4.42Å; E39-L76 HydrophobicContact CB-CD1 4.04Å; E39-L76 HydrophobicContact CB-CD2 3.8Å; E39-L76 HydrophobicContact CG-CD2 3.79Å; L42-L76 HydrophobicContact CD1-CB 3.72Å; E72-L76 HydrophobicContact CG-CD1 4.15Å; E72-L76 WeakPolarHBondContact O-CB 3.26Å; E72-L76 VanDerWaalsContact O-CG 3.25Å; E72-L76 WeakPolarHBondContact O-CG 3.45Å; E72-L76 PolarHBondContact O-N 3.43Å; V73-L76 PolarHBondContact O-N 2.93Å; L76-R78 VanDerWaalsContact C-N 3.31Å; L76-R78 PolarHBondContact O-N 3.11Å; L76-I79 PolarHBondContact O-N 3.37Å; L76-I79 VanDerWaalsContact O-N 3.11Å; L76-Y80 HydrophobicContact CD2-CD2 4.48Å; L76-Y80 HydrophobicContact CD2-CE2 3.87Å; L76-Y80 VanDerWaalsContact O-CD2 3.22Å; L76-Y80 WeakPolarHBondContact O-CD2 3.49Å; L76-Y80 PolarHBondContact O-N 3.07Å |
| 77 | L | 97.2 | Very high | 95.2 | Very high | 2 Ų | 2 | 54.1 Ų | 54.1 | 1% | 0.01 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58.9 | -41.7 | 175.7 | -71.1 | 172.1 | 0 | 0 | 0 | 111.7 | F38 L42 V73 I79 Y80 C81 V120 L142 L147 I148 | F38-L77 HydrophobicContact CE1-CG 4.49Å; F38-L77 HydrophobicContact CZ-CD2 4.31Å; F38-L77 HydrophobicContact CZ-CG 4.5Å; L42-L77 HydrophobicContact CD1-CD2 4.29Å; L42-L77 HydrophobicContact CD2-CD2 4.03Å; V73-L77 HydrophobicContact CG1-CD1 3.74Å; V73-L77 HydrophobicContact CG1-CG 4.3Å; V73-L77 WeakPolarHBondContact O-CB 3.42Å; V73-L77 WeakPolarHBondContact O-CG 3.32Å; V73-L77 PolarHBondContact O-N 2.97Å; L77-I79 VanDerWaalsContact C-N 3.29Å; L77-I79 PolarHBondContact O-N 3.04Å; L77-Y80 PolarHBondContact O-N 2.89Å; L77-C81 WeakPolarHBondContact O-CA 3.22Å; L77-C81 WeakPolarHBondContact O-CB 3.41Å; L77-C81 PolarHBondContact O-N 3.16Å; L77-V120 HydrophobicContact CD2-CG2 4.15Å; L77-L142 HydrophobicContact CD1-CD1 4.35Å; L77-L147 HydrophobicContact CB-CB 4.28Å; L77-L147 HydrophobicContact CB-CD1 4.36Å; L77-L147 HydrophobicContact CD1-CB 4.02Å; L77-I148 HydrophobicContact CD1-CG2 3.84Å |
| 78 | R | 96.2 | Very high | 95 | Very high | 156 Ų | 156 | 51.7 Ų | 51.7 | 59% | 0.589 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -63.9 | -32.5 | 176.2 | -75.6 | -172 | 74.5 | 174.9 | 4.7 | 113.7 | M74 R75 L76 L82 L147 | M74-R78 WeakPolarHBondContact O-CB 3.27Å; M74-R78 WeakPolarHBondContact O-CG 3.38Å; M74-R78 PolarHBondContact O-N 3.21Å; R75-R78 PolarHBondContact O-N 3.36Å; L76-R78 VanDerWaalsContact C-N 3.31Å; L76-R78 PolarHBondContact O-N 3.11Å; R78-L82 HydrophobicContact CB-CD1 4.17Å; R78-L82 HydrophobicContact CG-CD1 3.93Å; R78-L82 WeakPolarHBondContact O-CB 3.12Å; R78-L147 HydrophobicContact CG-CD1 4.37Å; R78-L147 HydrophobicContact CG-CD2 3.5Å |
| 79 | I | 95 | Very high | 94.9 | Very high | 21 Ų | 21 | 45.9 Ų | 45.9 | 11% | 0.108 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -76.2 | -42 | -179.5 | -71.1 | 165.8 | 0 | 0 | 0 | 111.3 | R75 L76 L77 I376 I378 | R75-I79 HydrophobicContact CG-CD1 4.04Å; R75-I79 WeakPolarHBondContact O-CD1 3.43Å; R75-I79 VanDerWaalsContact O-CG1 3.29Å; R75-I79 WeakPolarHBondContact O-CG1 3.45Å; R75-I79 PolarHBondContact O-N 3.42Å; R75-I79 VanDerWaalsContact O-N 3.16Å; L76-I79 PolarHBondContact O-N 3.37Å; L76-I79 VanDerWaalsContact O-N 3.11Å; L77-I79 VanDerWaalsContact C-N 3.29Å; L77-I79 PolarHBondContact O-N 3.04Å; I79-I376 HydrophobicContact CG1-CD1 4.07Å; I79-I378 HydrophobicContact CG2-CD1 4.28Å |
| 80 | Y | 95.8 | Very high | 94.8 | Very high | 27 Ų | 27 | 50.7 Ų | 50.7 | 11% | 0.106 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -100.2 | -26.5 | -170.3 | -64.8 | -70.9 | 0 | 0 | 0 | 114.5 | E39 L42 R43 V46 L76 L77 | E39-Y80 HydrophobicContact CG-CE2 3.83Å; E39-Y80 PolarHBondContact OE1-OH 2.67Å; L42-Y80 HydrophobicContact CB-CD2 3.68Å; L42-Y80 HydrophobicContact CB-CE2 4.45Å; L42-Y80 HydrophobicContact CB-CG 3.8Å; L42-Y80 HydrophobicContact CD1-CD2 3.94Å; L42-Y80 HydrophobicContact CG-CD2 4.5Å; R43-Y80 HydrophobicContact CG-CD1 4.37Å; R43-Y80 HydrophobicContact CG-CE1 3.53Å; R43-Y80 PolarHBondContact NE-OH 2.89Å; R43-Y80 PolarHBondContact NH2-OH 2.56Å; V46-Y80 HydrophobicContact CG2-CD1 4.1Å; L76-Y80 HydrophobicContact CD2-CD2 4.48Å; L76-Y80 HydrophobicContact CD2-CE2 3.87Å; L76-Y80 VanDerWaalsContact O-CD2 3.22Å; L76-Y80 WeakPolarHBondContact O-CD2 3.49Å; L76-Y80 PolarHBondContact O-N 3.07Å; L77-Y80 PolarHBondContact O-N 2.89Å |
| 81 | C | 96.1 | Very high | 94.7 | Very high | 4 Ų | 4 | 51 Ų | 51 | 3% | 0.027 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | -24.9 | -174.8 | -60.2 | 0 | 0 | 0 | 0 | 113.9 | L77 G117 I118 | L77-C81 WeakPolarHBondContact O-CA 3.22Å; L77-C81 WeakPolarHBondContact O-CB 3.41Å; L77-C81 PolarHBondContact O-N 3.16Å; C81-G117 PolarHBondContact O-N 3.11Å; C81-I118 WeakPolarHBondContact CB-O 3.12Å; C81-I118 PolarHBondContact O-N 3.44Å |
| 82 | L | 94.7 | Very high | 94.5 | Very high | 36 Ų | 36 | 48.2 Ų | 48.2 | 19% | 0.188 | 24% | 0.243 | C | C | . | . | B | Isolated β-bridge | trans | -87.1 | 138.2 | 173.1 | -57.6 | -178.4 | 0 | 0 | 0 | 110.1 | R78 N115 V116 | R78-L82 HydrophobicContact CB-CD1 4.17Å; R78-L82 HydrophobicContact CG-CD1 3.93Å; R78-L82 WeakPolarHBondContact O-CB 3.12Å; L82-N115 WeakPolarHBondContact CA-O 3.45Å; L82-V116 HydrophobicContact CD2-CB 4.45Å; L82-V116 HydrophobicContact CD2-CG2 3.88Å |
| 83 | G | 91.4 | Very high | 94.2 | Very high | 19 Ų | 19 | 47.3 Ų | 47.3 | 20% | 0.196 | 24% | 0.241 | C | C | . | . | S | Bend | trans | 172.6 | 174.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | K85 N115 | G83-K85 VanDerWaalsContact C-N 3.29Å; G83-K85 PolarHBondContact O-N 3.46Å; G83-N115 PolarHBondContact N-O 3.49Å; G83-N115 VanDerWaalsContact N-O 3.07Å; G83-N115 PolarHBondContact O-ND2 2.97Å; G83-N115 PolarHBondContact O-OD1 3.2Å; G83-N115 VanDerWaalsContact O-OD1 3.14Å |
| 84 | S | 90.4 | Very high | 93.7 | Very high | 84 Ų | 84 | 52.8 Ų | 52.8 | 59% | 0.587 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -79.5 | -6.4 | -178.4 | 54 | 0 | 0 | 0 | 0 | 114.7 | P86 | S84-P86 WeakPolarHBondContact O-CD 3.4Š|
| 85 | K | 91.5 | Very high | 93 | Very high | 52 Ų | 52 | 51.3 Ų | 51.3 | 23% | 0.226 | 26% | 0.262 | C | S | . | . | P | Polyproline II helix | trans | -63.1 | 123 | 178.9 | 178.1 | -175.1 | 167.1 | -175.2 | 0 | 109.7 | N49 V50 G83 G117 | N49-K85 VanDerWaalsContact OD1-CE 3.25Å; N49-K85 WeakPolarHBondContact OD1-CE 3.28Å; N49-K85 PolarHBondContact OD1-NZ 3.3Å; V50-K85 PolarHBondContact O-NZ 3.5Å; G83-K85 VanDerWaalsContact C-N 3.29Å; G83-K85 PolarHBondContact O-N 3.46Å; K85-G117 WeakPolarHBondContact O-CA 3.48Å |
| 86 | P | 92.4 | Very high | 92.5 | Very high | 95 Ų | 95 | 55 Ų | 55 | 62% | 0.617 | 28% | 0.28 | S | S | * | . | P | Polyproline II helix | trans | -72.2 | 139.3 | 175.5 | 29.2 | -33.8 | 0 | 0 | 0 | 111.1 | S84 Q88 | S84-P86 WeakPolarHBondContact O-CD 3.4Å; P86-Q88 PolarHBondContact O-N 3.42Å |
| 87 | V | 94 | Very high | 91.9 | Very high | 38 Ų | 38 | 57.7 Ų | 57.7 | 23% | 0.23 | 30% | 0.297 | C | S | . | . | P | Polyproline II helix | trans | -70.2 | 122.7 | 171.7 | -179.9 | 0 | 0 | 0 | 0 | 109.2 | F89 Y109 V116 P119 | V87-F89 HydrophobicContact CG1-CD1 3.49Å; V87-F89 VanDerWaalsContact CG1-CD1 3.49Å; V87-F89 HydrophobicContact CG1-CD2 4.31Å; V87-F89 HydrophobicContact CG1-CE1 3.3Å; V87-F89 HydrophobicContact CG1-CE2 4.14Å; V87-F89 HydrophobicContact CG1-CG 4.01Å; V87-F89 HydrophobicContact CG1-CZ 3.65Å; V87-Y109 HydrophobicContact CB-CD2 4.08Å; V87-Y109 HydrophobicContact CG1-CD2 4Å; V87-Y109 HydrophobicContact CG1-CE2 4.03Å; V87-Y109 HydrophobicContact CG2-CD2 4.04Å; V87-Y109 HydrophobicContact CG2-CG 4.13Å; V87-V116 WeakPolarHBondContact CG2-O 3.45Å; V87-P119 HydrophobicContact CG1-CG 4.13Å; V87-P119 HydrophobicContact CG2-CG 3.71Å |
| 88 | Q | 91.9 | Very high | 91.4 | Very high | 108 Ų | 108 | 58.6 Ų | 58.6 | 51% | 0.505 | 30% | 0.302 | S | S | . | . | trans | -92 | 7.1 | -171.6 | -63.3 | -172.8 | -25.9 | 0 | 0 | 114.4 | P86 | P86-Q88 PolarHBondContact O-N 3.42Š| ||
| 89 | F | 94.6 | Very high | 91 | Very high | 7 Ų | 7 | 51.2 Ų | 51.2 | 3% | 0.031 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -124.7 | 154.5 | 178.7 | 67.6 | -94.1 | 0 | 0 | 0 | 110.9 | L11 D51 F52 V87 Y109 P119 F121 L167 R168 K169 | L11-F89 HydrophobicContact CD1-CB 4.19Å; L11-F89 HydrophobicContact CD1-CD1 4.29Å; L11-F89 HydrophobicContact CD1-CG 4.38Å; D51-F89 HydrophobicContact CB-CD1 4.05Å; D51-F89 HydrophobicContact CB-CE1 4.26Å; F52-F89 HydrophobicContact CB-CE1 4.1Å; F52-F89 HydrophobicContact CB-CZ 4.21Å; F52-F89 HydrophobicContact CD1-CD1 4.37Å; F52-F89 AromaticContact CD1-CE1 3.81Å; F52-F89 HydrophobicContact CD1-CE1 3.81Å; F52-F89 HydrophobicContact CD1-CZ 4Å; F52-F89 HydrophobicContact CG-CE1 4.42Å; F52-F89 HydrophobicContact CG-CZ 4.45Å; V87-F89 HydrophobicContact CG1-CD1 3.49Å; V87-F89 VanDerWaalsContact CG1-CD1 3.49Å; V87-F89 HydrophobicContact CG1-CD2 4.31Å; V87-F89 HydrophobicContact CG1-CE1 3.3Å; V87-F89 HydrophobicContact CG1-CE2 4.14Å; V87-F89 HydrophobicContact CG1-CG 4.01Å; V87-F89 HydrophobicContact CG1-CZ 3.65Å; F89-Y109 HydrophobicContact CE2-CE1 4.12Å; F89-Y109 HydrophobicContact CE2-CE2 4.5Å; F89-Y109 AromaticContact CE2-CZ 3.77Å; F89-Y109 VanDerWaalsContact CE2-OH 3.31Å; F89-Y109 WeakPolarHBondContact CE2-OH 3.45Å; F89-Y109 HydrophobicContact CZ-CE1 4.3Å; F89-P119 HydrophobicContact CE1-CG 4.24Å; F89-P119 HydrophobicContact CZ-CB 4.27Å; F89-P119 HydrophobicContact CZ-CG 3.91Å; F89-F121 HydrophobicContact CE2-CE2 4.39Å; F89-F121 HydrophobicContact CZ-CE2 4.14Å; F89-L167 HydrophobicContact CD2-CB 4.47Å; F89-L167 HydrophobicContact CD2-CD2 3.89Å; F89-L167 HydrophobicContact CE2-CD1 4.36Å; F89-L167 HydrophobicContact CE2-CD2 3.78Å; F89-R168 CarbonylContact C-O 3.59Å; F89-R168 VanDerWaalsContact CA-O 3.25Å; F89-R168 WeakPolarHBondContact CA-O 3.27Å; F89-R168 WeakPolarHBondContact CB-O 3.19Å; F89-K169 HydrophobicContact CB-CB 3.98Å |
| 90 | E | 93.9 | Very high | 90.4 | Very high | 102 Ų | 102 | 52.9 Ų | 52.9 | 48% | 0.477 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 143.4 | -178.2 | -62.4 | 173.5 | 174.4 | 0 | 0 | 110.5 | L167 R168 | E90-L167 WeakPolarHBondContact O-CA 3.46Å; E90-R168 PolarHBondContact N-O 3.31Å; E90-R168 PolarHBondContact O-N 3.39Å; E90-R168 IonicContact OE2-CZ 2.72Å; E90-R168 VanDerWaalsContact OE2-CZ 3.31Å; E90-R168 IonicContact OE2-NE 3.99Å; E90-R168 PolarHBondContact OE2-NE 3.28Å; E90-R168 VanDerWaalsContact OE2-NE 3.17Å; E90-R168 IonicContact OE2-NH2 3.69Å; E90-R168 PolarHBondContact OE2-NH2 3.25Å |
| 91 | L | 94.1 | Very high | 89.9 | Confident | 32 Ų | 32 | 54.2 Ų | 54.2 | 17% | 0.168 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 115.5 | 168.8 | -173.9 | 66.2 | 0 | 0 | 0 | 108.8 | S93 A95 A107 Y109 L110 V165 L167 | L91-S93 WeakPolarHBondContact CD1-OG 3.43Å; L91-A95 HydrophobicContact CD2-CB 4.07Å; L91-A107 HydrophobicContact CD2-CB 4.03Å; L91-Y109 WeakPolarHBondContact CB-OH 3.4Å; L91-L110 HydrophobicContact CB-CD1 4.44Å; L91-L110 HydrophobicContact CD2-CD1 4.09Å; L91-V165 HydrophobicContact CD1-CG1 3.54Å; L91-L167 HydrophobicContact CD1-CD2 3.69Å |
| 92 | L | 92 | Very high | 89.4 | Confident | 59 Ų | 59 | 54.6 Ų | 54.6 | 31% | 0.309 | 30% | 0.302 | S | S | . | . | trans | -94.7 | -22.9 | -179.6 | -62.6 | -179.9 | 0 | 0 | 0 | 112.9 | L166 R168 W208 | L92-L166 HydrophobicContact CB-CB 4.09Å; L92-L166 PolarHBondContact N-O 3.14Å; L92-R168 HydrophobicContact CD1-CB 3.65Å; L92-R168 HydrophobicContact CD1-CG 4.49Å; L92-R168 HydrophobicContact CG-CB 4.13Å; L92-W208 HydrophobicContact CD1-CH2 3.81Å | ||
| 93 | S | 88.7 | Confident | 89 | Confident | 17 Ų | 17 | 56.1 Ų | 56.1 | 12% | 0.119 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -79 | 152.3 | 177.9 | 45.4 | 0 | 0 | 0 | 0 | 112.1 | L91 A95 I98 L166 | L91-S93 WeakPolarHBondContact CD1-OG 3.43Å; S93-A95 PolarHBondContact O-N 2.66Å; S93-A95 VanDerWaalsContact O-N 3.1Å; S93-I98 VanDerWaalsContact CB-CD1 3.42Å; S93-I98 WeakPolarHBondContact OG-CD1 3.5Å; S93-L166 PolarHBondContact OG-N 3.38Å |
| 94 | E | 86.6 | Confident | 88.8 | Confident | 116 Ų | 116 | 59.9 Ų | 59.9 | 54% | 0.542 | 33% | 0.331 | S | S | . | . | trans | -70 | 107.6 | 175.8 | -68.4 | 179.9 | -165.3 | 0 | 0 | 111.1 | K96 T97 I98 | E94-K96 PolarHBondContact O-N 3.14Å; E94-K96 VanDerWaalsContact O-N 3.08Å; E94-T97 HydrophobicContact CB-CG2 4.2Å; E94-T97 PolarHBondContact O-N 2.7Å; E94-T97 PolarHBondContact O-OG1 3.19Å; E94-I98 PolarHBondContact O-N 2.9Å | ||
| 95 | A | 83.9 | Confident | 88.7 | Confident | 18 Ų | 18 | 60.3 Ų | 60.3 | 15% | 0.149 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -52.7 | -34.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L91 S93 T97 I98 F99 H105 | L91-A95 HydrophobicContact CD2-CB 4.07Å; S93-A95 PolarHBondContact O-N 2.66Å; S93-A95 VanDerWaalsContact O-N 3.1Å; A95-T97 VanDerWaalsContact C-N 3.27Å; A95-T97 PolarHBondContact O-N 2.88Å; A95-I98 PolarHBondContact O-N 3.35Å; A95-F99 HydrophobicContact CB-CD2 3.99Å; A95-F99 HydrophobicContact CB-CE2 4.22Å; A95-F99 WeakPolarHBondContact O-CB 3.33Å; A95-F99 WeakPolarHBondContact O-CD2 3.23Å; A95-F99 PolarHBondContact O-N 2.98Å; A95-H105 CarbonylContact C-O 3.55Å; A95-H105 VanDerWaalsContact C-O 3.24Å; A95-H105 VanDerWaalsContact CB-O 3.3Å; A95-H105 WeakPolarHBondContact CB-O 3.34Å |
| 96 | K | 84.7 | Confident | 88.6 | Confident | 160 Ų | 160 | 61.1 Ų | 61.1 | 70% | 0.696 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -60.4 | -32.7 | 177.9 | -67.6 | -175.2 | -179.7 | 179.9 | 0 | 114.2 | E94 A100 H105 | E94-K96 PolarHBondContact O-N 3.14Å; E94-K96 VanDerWaalsContact O-N 3.08Å; K96-A100 WeakPolarHBondContact O-CA 3.33Å; K96-A100 WeakPolarHBondContact O-CB 3.47Å; K96-A100 PolarHBondContact O-N 3.17Å; K96-H105 HydrophobicContact CG-CB 4.19Å; K96-H105 PolarHBondContact N-O 3.36Å |
| 97 | T | 85.8 | Confident | 88.5 | Confident | 59 Ų | 59 | 56.6 Ų | 56.6 | 36% | 0.362 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -80.5 | -40.5 | -180 | 60.7 | 0 | 0 | 0 | 0 | 111.3 | E94 A95 A100 | E94-T97 HydrophobicContact CB-CG2 4.2Å; E94-T97 PolarHBondContact O-N 2.7Å; E94-T97 PolarHBondContact O-OG1 3.19Å; A95-T97 VanDerWaalsContact C-N 3.27Å; A95-T97 PolarHBondContact O-N 2.88Å; T97-A100 WeakPolarHBondContact O-CB 3.44Å |
| 98 | I | 85.9 | Confident | 88.5 | Confident | 21 Ų | 21 | 55.1 Ų | 55.1 | 11% | 0.108 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -68.4 | -44.5 | -179.4 | -68.2 | 162.4 | 0 | 0 | 0 | 111.2 | S93 E94 A95 A100 F151 V165 | S93-I98 VanDerWaalsContact CB-CD1 3.42Å; S93-I98 WeakPolarHBondContact OG-CD1 3.5Å; E94-I98 PolarHBondContact O-N 2.9Å; A95-I98 PolarHBondContact O-N 3.35Å; I98-A100 VanDerWaalsContact C-N 3.34Å; I98-F151 HydrophobicContact CG2-CB 4.07Å; I98-V165 HydrophobicContact CD1-CB 4.2Å; I98-V165 HydrophobicContact CD1-CG1 4.2Å; I98-V165 HydrophobicContact CD1-CG2 4.01Å; I98-V165 HydrophobicContact CG1-CG2 4.37Å; I98-V165 HydrophobicContact CG2-CG2 3.76Å |
| 99 | F | 87.6 | Confident | 88.6 | Confident | 1 Ų | 1 | 51.4 Ų | 51.4 | 0% | 0.004 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | 20.7 | -177.3 | -56.5 | -59.3 | 0 | 0 | 0 | 111.9 | A95 N101 T102 A107 H143 N149 L150 | A95-F99 HydrophobicContact CB-CD2 3.99Å; A95-F99 HydrophobicContact CB-CE2 4.22Å; A95-F99 WeakPolarHBondContact O-CB 3.33Å; A95-F99 WeakPolarHBondContact O-CD2 3.23Å; A95-F99 PolarHBondContact O-N 2.98Å; F99-N101 PolarHBondContact O-N 3.01Å; F99-N101 VanDerWaalsContact O-N 3.15Å; F99-T102 PolarHBondContact O-N 3.36Å; F99-T102 VanDerWaalsContact O-N 3.13Å; F99-T102 PolarHBondContact O-OG1 2.98Å; F99-A107 HydrophobicContact CE2-CB 3.96Å; F99-A107 HydrophobicContact CZ-CB 4.34Å; F99-H143 AromaticContact CD1-CE1 3.78Å; F99-N149 HydrophobicContact CE1-CB 3.91Å; F99-N149 HydrophobicContact CZ-CB 3.94Å; F99-L150 VanDerWaalsContact CD1-O 3.28Å; F99-L150 WeakPolarHBondContact CD1-O 3.43Å; F99-L150 WeakPolarHBondContact CE1-O 3.47Å |
| 100 | A | 83.3 | Confident | 88.5 | Confident | 55 Ų | 55 | 56 Ų | 56 | 46% | 0.455 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -28.7 | -179 | 0 | 0 | 0 | 0 | 0 | 113 | K96 T97 I98 | K96-A100 WeakPolarHBondContact O-CA 3.33Å; K96-A100 WeakPolarHBondContact O-CB 3.47Å; K96-A100 PolarHBondContact O-N 3.17Å; T97-A100 WeakPolarHBondContact O-CB 3.44Å; I98-A100 VanDerWaalsContact C-N 3.34Å |
| 101 | N | 83.3 | Confident | 88.4 | Confident | 56 Ų | 56 | 53.2 Ų | 53.2 | 30% | 0.299 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | 12.9 | -177.4 | -63.9 | -32.9 | 0 | 0 | 0 | 113.4 | F99 K153 S155 | F99-N101 PolarHBondContact O-N 3.01Å; F99-N101 VanDerWaalsContact O-N 3.15Å; N101-K153 HydrophobicContact CB-CB 4.35Å; N101-K153 HydrophobicContact CB-CD 4.07Å; N101-K153 HydrophobicContact CB-CG 4.16Å; N101-K153 PolarHBondContact ND2-O 3.3Å; N101-K153 PolarHBondContact O-NZ 3.4Å; N101-S155 PolarHBondContact ND2-N 2.87Å |
| 102 | T | 87.5 | Confident | 88.2 | Confident | 11 Ų | 11 | 55.6 Ų | 55.6 | 7% | 0.067 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -122.7 | 162.8 | 175.8 | 70.3 | 0 | 0 | 0 | 0 | 110.3 | F99 F104 H105 H143 L150 | F99-T102 PolarHBondContact O-N 3.36Å; F99-T102 VanDerWaalsContact O-N 3.13Å; F99-T102 PolarHBondContact O-OG1 2.98Å; T102-F104 VanDerWaalsContact C-N 3.31Å; T102-F104 PolarHBondContact O-N 2.91Å; T102-F104 PolarHBondContact OG1-O 3.21Å; T102-H105 PolarHBondContact O-CD2 3.45Å; T102-H143 WeakPolarHBondContact CB-CD2 3.43Å; T102-H143 WeakPolarHBondContact CB-NE2 3.4Å; T102-H143 PolarHBondContact OG1-CD2 3.4Å; T102-H143 PolarHBondContact OG1-NE2 3.46Å; T102-L150 HydrophobicContact CG2-CB 4.32Å; T102-L150 HydrophobicContact CG2-CD2 4.32Å |
| 103 | A | 84.7 | Confident | 88.3 | Confident | 69 Ų | 69 | 59.9 Ų | 59.9 | 57% | 0.57 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -70.3 | -26.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 104 | F | 87.1 | Confident | 88.5 | Confident | 97 Ų | 97 | 61.8 Ų | 61.8 | 43% | 0.425 | 35% | 0.352 | S | S | . | . | trans | -115.9 | 112.1 | -178.6 | -74.8 | -86.7 | 0 | 0 | 0 | 110.1 | T102 T106 H143 T144 | T102-F104 VanDerWaalsContact C-N 3.31Å; T102-F104 PolarHBondContact O-N 2.91Å; T102-F104 PolarHBondContact OG1-O 3.21Å; F104-T106 PolarHBondContact O-N 3.34Å; F104-T106 VanDerWaalsContact O-N 3.09Å; F104-H143 PolarHBondContact O-NE2 3.48Å; F104-H143 VanDerWaalsContact O-NE2 3.09Å; F104-T144 HydrophobicContact CD2-CG2 4.08Å; F104-T144 HydrophobicContact CE2-CG2 3.64Å | ||
| 105 | H | 88.7 | Confident | 88.9 | Confident | 93 Ų | 93 | 61.1 Ų | 61.1 | 43% | 0.431 | 35% | 0.352 | S | S | . | . | trans | -83.3 | 19.4 | -171.4 | -43.6 | 123.8 | 0 | 0 | 0 | 114.4 | A95 K96 T102 | A95-H105 CarbonylContact C-O 3.55Å; A95-H105 VanDerWaalsContact C-O 3.24Å; A95-H105 VanDerWaalsContact CB-O 3.3Å; A95-H105 WeakPolarHBondContact CB-O 3.34Å; K96-H105 HydrophobicContact CG-CB 4.19Å; K96-H105 PolarHBondContact N-O 3.36Å; T102-H105 PolarHBondContact O-CD2 3.45Å | ||
| 106 | T | 88.8 | Confident | 89.4 | Confident | 69 Ų | 69 | 60.5 Ų | 60.5 | 42% | 0.423 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -128.2 | 143.8 | -174.3 | 51.5 | 0 | 0 | 0 | 0 | 110 | F104 | F104-T106 PolarHBondContact O-N 3.34Å; F104-T106 VanDerWaalsContact O-N 3.09Å |
| 107 | A | 91.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 32% | 0.316 | C | S | . | . | trans | -64.5 | 139.5 | 171 | 0 | 0 | 0 | 0 | 0 | 110 | L91 F99 Y109 L110 N149 | L91-A107 HydrophobicContact CD2-CB 4.03Å; F99-A107 HydrophobicContact CE2-CB 3.96Å; F99-A107 HydrophobicContact CZ-CB 4.34Å; A107-Y109 VanDerWaalsContact C-N 3.27Å; A107-Y109 HydrophobicContact CB-CD1 3.97Å; A107-Y109 HydrophobicContact CB-CE1 3.61Å; A107-Y109 PolarHBondContact O-N 2.91Å; A107-L110 HydrophobicContact CB-CD1 4.13Å; A107-L110 HydrophobicContact CB-CG 4.3Å; A107-L110 WeakPolarHBondContact O-CB 3.33Å; A107-L110 PolarHBondContact O-N 3.14Å; A107-N149 WeakPolarHBondContact CA-OD1 3.47Å | ||
| 108 | N | 93.8 | Very high | 90.4 | Very high | 8 Ų | 8 | 50.7 Ų | 50.7 | 4% | 0.043 | 30% | 0.301 | C | S | . | . | G | 310 helix | trans | -60.2 | -32.2 | -170.2 | 68.7 | -19.5 | 0 | 0 | 0 | 114.5 | L110 D111 V116 G146 N149 | N108-L110 VanDerWaalsContact C-N 3.26Å; N108-L110 PolarHBondContact O-N 3.02Å; N108-D111 WeakPolarHBondContact O-CB 3.42Å; N108-D111 PolarHBondContact O-N 3.21Å; N108-V116 HydrophobicContact CB-CG2 4.33Å; N108-G146 WeakPolarHBondContact CB-O 3.44Å; N108-G146 PolarHBondContact ND2-O 2.86Å; N108-N149 PolarHBondContact N-OD1 3.49Å; N108-N149 PolarHBondContact OD1-ND2 3.03Å; N108-N149 PolarHBondContact OD1-OD1 2.92Å |
| 109 | Y | 93.1 | Very high | 90.9 | Very high | 30 Ų | 30 | 49.7 Ų | 49.7 | 12% | 0.118 | 30% | 0.296 | C | S | . | . | G | 310 helix | trans | -80.3 | -6.5 | 178.6 | 69 | -88.4 | 0 | 0 | 0 | 113.9 | V87 F89 L91 A107 P119 F121 | V87-Y109 HydrophobicContact CB-CD2 4.08Å; V87-Y109 HydrophobicContact CG1-CD2 4Å; V87-Y109 HydrophobicContact CG1-CE2 4.03Å; V87-Y109 HydrophobicContact CG2-CD2 4.04Å; V87-Y109 HydrophobicContact CG2-CG 4.13Å; F89-Y109 HydrophobicContact CE2-CE1 4.12Å; F89-Y109 HydrophobicContact CE2-CE2 4.5Å; F89-Y109 AromaticContact CE2-CZ 3.77Å; F89-Y109 VanDerWaalsContact CE2-OH 3.31Å; F89-Y109 WeakPolarHBondContact CE2-OH 3.45Å; F89-Y109 HydrophobicContact CZ-CE1 4.3Å; L91-Y109 WeakPolarHBondContact CB-OH 3.4Å; A107-Y109 VanDerWaalsContact C-N 3.27Å; A107-Y109 HydrophobicContact CB-CD1 3.97Å; A107-Y109 HydrophobicContact CB-CE1 3.61Å; A107-Y109 PolarHBondContact O-N 2.91Å; Y109-P119 HydrophobicContact CD1-CB 3.85Å; Y109-P119 HydrophobicContact CD1-CG 3.61Å; Y109-P119 HydrophobicContact CE1-CB 4.39Å; Y109-P119 HydrophobicContact CE1-CG 4.27Å; Y109-P119 HydrophobicContact CG-CG 3.85Å; Y109-F121 HydrophobicContact CE1-CZ 4.25Å |
| 110 | L | 92.6 | Very high | 91.4 | Very high | 103 Ų | 103 | 49.7 Ų | 49.7 | 54% | 0.539 | 30% | 0.295 | S | S | . | . | G | 310 helix | trans | -95.9 | -2.4 | 171.2 | -60.7 | 177.3 | 0 | 0 | 0 | 111.9 | L91 A107 N108 G112 | L91-L110 HydrophobicContact CB-CD1 4.44Å; L91-L110 HydrophobicContact CD2-CD1 4.09Å; A107-L110 HydrophobicContact CB-CD1 4.13Å; A107-L110 HydrophobicContact CB-CG 4.3Å; A107-L110 WeakPolarHBondContact O-CB 3.33Å; A107-L110 PolarHBondContact O-N 3.14Å; N108-L110 VanDerWaalsContact C-N 3.26Å; N108-L110 PolarHBondContact O-N 3.02Å; L110-G112 PolarHBondContact O-N 3.26Å |
| 111 | D | 91.7 | Very high | 92.1 | Very high | 44 Ų | 44 | 47 Ų | 47 | 24% | 0.235 | 27% | 0.274 | C | S | . | . | trans | -70.8 | 125.2 | 175.2 | -167.8 | -40.9 | 0 | 0 | 0 | 110 | N108 N113 L114 | N108-D111 WeakPolarHBondContact O-CB 3.42Å; N108-D111 PolarHBondContact O-N 3.21Å; D111-N113 PolarHBondContact O-N 2.85Å; D111-N113 VanDerWaalsContact O-N 3.14Å; D111-N113 WeakPolarHBondContact OD1-CB 3.35Å; D111-N113 PolarHBondContact OD1-N 3.42Å; D111-N113 PolarHBondContact OD1-ND2 3.24Å; D111-N113 VanDerWaalsContact OD1-ND2 3.09Å; D111-L114 HydrophobicContact CB-CB 4.2Å; D111-L114 HydrophobicContact CB-CD1 4.35Å; D111-L114 HydrophobicContact CB-CG 4.39Å; D111-L114 PolarHBondContact O-N 3.42Å | ||
| 112 | G | 90.8 | Very high | 92.8 | Very high | 81 Ų | 81 | 44.4 Ų | 44.4 | 84% | 0.835 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -14.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | L110 | L110-G112 PolarHBondContact O-N 3.26Š|
| 113 | N | 93.4 | Very high | 93.2 | Very high | 149 Ų | 149 | 43.9 Ų | 43.9 | 80% | 0.797 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.7 | -10.2 | -177.9 | -52.2 | -68.8 | 0 | 0 | 0 | 113.4 | D111 | D111-N113 PolarHBondContact O-N 2.85Å; D111-N113 VanDerWaalsContact O-N 3.14Å; D111-N113 WeakPolarHBondContact OD1-CB 3.35Å; D111-N113 PolarHBondContact OD1-N 3.42Å; D111-N113 PolarHBondContact OD1-ND2 3.24Å; D111-N113 VanDerWaalsContact OD1-ND2 3.09Å |
| 114 | L | 92.9 | Very high | 93.7 | Very high | 58 Ų | 58 | 41 Ų | 41 | 30% | 0.304 | 23% | 0.231 | S | C | . | . | trans | -122 | 123 | -174.9 | -62 | 176.5 | 0 | 0 | 0 | 111 | D111 V116 | D111-L114 HydrophobicContact CB-CB 4.2Å; D111-L114 HydrophobicContact CB-CD1 4.35Å; D111-L114 HydrophobicContact CB-CG 4.39Å; D111-L114 PolarHBondContact O-N 3.42Å; L114-V116 HydrophobicContact CB-CG2 4.28Å; L114-V116 PolarHBondContact O-N 2.99Å | ||
| 115 | N | 94.6 | Very high | 94.2 | Very high | 101 Ų | 101 | 36.4 Ų | 36.4 | 54% | 0.54 | 21% | 0.211 | S | C | . | . | trans | -93 | 91.1 | 174.4 | -159.8 | 8.3 | 0 | 0 | 0 | 110.5 | L82 G83 | L82-N115 WeakPolarHBondContact CA-O 3.45Å; G83-N115 PolarHBondContact N-O 3.49Å; G83-N115 VanDerWaalsContact N-O 3.07Å; G83-N115 PolarHBondContact O-ND2 2.97Å; G83-N115 PolarHBondContact O-OD1 3.2Å; G83-N115 VanDerWaalsContact O-OD1 3.14Å | ||
| 116 | V | 95.7 | Very high | 94.5 | Very high | 6 Ų | 6 | 34.6 Ų | 34.6 | 4% | 0.036 | 21% | 0.205 | C | C | . | . | B | Isolated β-bridge | trans | -93.1 | 114.3 | -179.9 | -177.6 | 0 | 0 | 0 | 0 | 109.2 | L82 V87 N108 L114 P119 | L82-V116 HydrophobicContact CD2-CB 4.45Å; L82-V116 HydrophobicContact CD2-CG2 3.88Å; V87-V116 WeakPolarHBondContact CG2-O 3.45Å; N108-V116 HydrophobicContact CB-CG2 4.33Å; L114-V116 HydrophobicContact CB-CG2 4.28Å; L114-V116 PolarHBondContact O-N 2.99Å; V116-P119 HydrophobicContact CG1-CG 4.25Å |
| 117 | G | 94 | Very high | 94.7 | Very high | 4 Ų | 4 | 34.3 Ų | 34.3 | 4% | 0.041 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -86.1 | -32.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114 | C81 K85 | C81-G117 PolarHBondContact O-N 3.11Å; K85-G117 WeakPolarHBondContact O-CA 3.48Å |
| 118 | I | 96.8 | Very high | 94.7 | Very high | 9 Ų | 9 | 34.3 Ų | 34.3 | 5% | 0.046 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -132.2 | 100.5 | 176.1 | -54.5 | 178.5 | 0 | 0 | 0 | 108.3 | V46 V50 I53 C81 | V46-I118 HydrophobicContact CG2-CD1 3.9Å; V50-I118 HydrophobicContact CG2-CG2 4.05Å; I53-I118 HydrophobicContact CD1-CG2 4.26Å; I53-I118 HydrophobicContact CG1-CG2 3.91Å; C81-I118 WeakPolarHBondContact CB-O 3.12Å; C81-I118 PolarHBondContact O-N 3.44Å |
| 119 | P | 97.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.213 | C | C | . | . | trans | -61.1 | 146.5 | 173.9 | -23.4 | 35.4 | 0 | 0 | 0 | 111.4 | D51 F52 I53 V87 F89 Y109 V116 F121 | D51-P119 WeakPolarHBondContact O-CD 3.24Å; F52-P119 CarbonylContact C-O 3.58Å; F52-P119 VanDerWaalsContact CA-O 3.24Å; F52-P119 WeakPolarHBondContact CA-O 3.44Å; F52-P119 HydrophobicContact CB-CB 4.26Å; F52-P119 WeakPolarHBondContact CB-O 3.47Å; I53-P119 PolarHBondContact N-O 2.75Å; V87-P119 HydrophobicContact CG1-CG 4.13Å; V87-P119 HydrophobicContact CG2-CG 3.71Å; F89-P119 HydrophobicContact CE1-CG 4.24Å; F89-P119 HydrophobicContact CZ-CB 4.27Å; F89-P119 HydrophobicContact CZ-CG 3.91Å; Y109-P119 HydrophobicContact CD1-CB 3.85Å; Y109-P119 HydrophobicContact CD1-CG 3.61Å; Y109-P119 HydrophobicContact CE1-CB 4.39Å; Y109-P119 HydrophobicContact CE1-CG 4.27Å; Y109-P119 HydrophobicContact CG-CG 3.85Å; V116-P119 HydrophobicContact CG1-CG 4.25Å; P119-F121 HydrophobicContact CB-CE2 4.11Å | ||
| 120 | V | 97.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 125.9 | 174.5 | -179.6 | 0 | 0 | 0 | 0 | 107.6 | I53 F55 L77 I148 N149 | I53-V120 HydrophobicContact CB-CG1 4.37Å; I53-V120 HydrophobicContact CB-CG2 4.19Å; I53-V120 HydrophobicContact CD1-CG2 4.25Å; I53-V120 CarbonylContact O-C 3.52Å; I53-V120 WeakPolarHBondContact O-CA 3.24Å; F55-V120 HydrophobicContact CD2-CG1 3.39Å; F55-V120 HydrophobicContact CE2-CG1 3.47Å; F55-V120 VanDerWaalsContact CE2-CG1 3.47Å; L77-V120 HydrophobicContact CD2-CG2 4.15Å; V120-I148 HydrophobicContact CB-CB 4.28Å; V120-I148 HydrophobicContact CB-CG2 3.95Å; V120-I148 HydrophobicContact CG1-CB 4.31Å; V120-I148 HydrophobicContact CG1-CG2 3.84Å; V120-I148 CarbonylContact O-C 3.51Å; V120-N149 WeakPolarHBondContact O-CB 3.44Å; V120-N149 PolarHBondContact O-N 2.74Å; V120-N149 PolarHBondContact O-ND2 2.86Å; V120-N149 VanDerWaalsContact O-ND2 3.11Å |
| 121 | F | 97.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 137.7 | 172.3 | -71.2 | -90.6 | 0 | 0 | 0 | 109 | F52 I53 L54 F55 F89 Y109 P119 N149 F151 V165 L167 L176 | F52-F121 HydrophobicContact CB-CD2 4.25Å; F52-F121 HydrophobicContact CB-CE2 4.37Å; F52-F121 AromaticContact CD2-CD2 3.73Å; F52-F121 HydrophobicContact CD2-CD2 3.73Å; F52-F121 HydrophobicContact CD2-CE2 4.37Å; F52-F121 HydrophobicContact CE2-CD2 4.25Å; F52-F121 HydrophobicContact CG-CD2 4.08Å; F52-F121 HydrophobicContact CG-CE2 4.3Å; I53-F121 PolarHBondContact O-N 3.45Å; L54-F121 CarbonylContact C-O 3.53Å; L54-F121 WeakPolarHBondContact CA-O 3.4Å; L54-F121 HydrophobicContact CD1-CB 4.14Å; F55-F121 PolarHBondContact N-O 2.8Å; F89-F121 HydrophobicContact CE2-CE2 4.39Å; F89-F121 HydrophobicContact CZ-CE2 4.14Å; Y109-F121 HydrophobicContact CE1-CZ 4.25Å; P119-F121 HydrophobicContact CB-CE2 4.11Å; F121-N149 WeakPolarHBondContact CA-O 3.35Å; F121-N149 HydrophobicContact CD1-CB 3.65Å; F121-N149 HydrophobicContact CE1-CB 3.81Å; F121-N149 HydrophobicContact CG-CB 4.26Å; F121-F151 HydrophobicContact CB-CD1 4.15Å; F121-F151 HydrophobicContact CB-CE1 3.85Å; F121-F151 HydrophobicContact CD1-CD1 4.37Å; F121-V165 HydrophobicContact CE1-CG1 4.08Å; F121-L167 HydrophobicContact CZ-CD2 4.49Å; F121-L176 HydrophobicContact CB-CD2 4.39Å; F121-L176 HydrophobicContact CG-CD2 4.48Å |
| 122 | T | 97.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 149.1 | 179.3 | -171.1 | 0 | 0 | 0 | 0 | 112.6 | F55 I59 A139 I148 N149 L150 F151 | F55-T122 WeakPolarHBondContact CB-OG1 3.47Å; F55-T122 VanDerWaalsContact O-CA 3.25Å; F55-T122 WeakPolarHBondContact O-CA 3.28Å; F55-T122 PolarHBondContact O-OG1 3.47Å; F55-T122 VanDerWaalsContact O-OG1 3.05Å; I59-T122 HydrophobicContact CD1-CG2 4.06Å; I59-T122 WeakPolarHBondContact CD1-OG1 3.48Å; T122-A139 HydrophobicContact CG2-CB 4.47Å; T122-I148 HydrophobicContact CG2-CB 4.48Å; T122-I148 HydrophobicContact CG2-CD1 3.4Å; T122-I148 VanDerWaalsContact CG2-CD1 3.4Å; T122-I148 HydrophobicContact CG2-CG1 4.4Å; T122-N149 PolarHBondContact N-O 3.46Å; T122-L150 HydrophobicContact CG2-CD1 4.24Å; T122-L150 WeakPolarHBondContact O-CA 3.25Å; T122-L150 WeakPolarHBondContact O-CD1 3.41Å; T122-F151 WeakPolarHBondContact O-CD1 3.41Å; T122-F151 PolarHBondContact O-N 3.16Å |
| 123 | I | 96.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | trans | -101 | 158.1 | 161.9 | 60.9 | 167.8 | 0 | 0 | 0 | 108.6 | F55 G57 F151 L179 T213 H215 | F55-I123 PolarHBondContact O-N 3.5Å; G57-I123 VanDerWaalsContact CA-O 3.27Å; G57-I123 WeakPolarHBondContact CA-O 3.48Å; G57-I123 PolarHBondContact N-O 3.39Å; I123-F151 HydrophobicContact CG2-CD1 4.3Å; I123-F151 HydrophobicContact CG2-CD2 4.46Å; I123-F151 HydrophobicContact CG2-CE1 3.89Å; I123-F151 HydrophobicContact CG2-CE2 4.1Å; I123-F151 HydrophobicContact CG2-CZ 3.78Å; I123-L179 WeakPolarHBondContact CD1-O 3.46Å; I123-T213 HydrophobicContact CD1-CG2 3.72Å; I123-T213 HydrophobicContact CG1-CG2 4.09Å; I123-H215 HydrophobicContact CD1-CB 3.91Å | ||
| 124 | H | 95.8 | Very high | 93 | Very high | 9 Ų | 9 | 33.1 Ų | 33.1 | 4% | 0.042 | 22% | 0.216 | C | C | . | . | trans | -80.7 | 144 | 169.4 | 67 | 85.2 | 0 | 0 | 0 | 110.8 | D128 P130 G180 S181 | H124-D128 WeakPolarHBondContact CB-O 3.49Å; H124-P130 WeakPolarHBondContact ND1-CD 3.15Å; H124-G180 WeakPolarHBondContact O-CA 3.47Å; H124-S181 PolarHBondContact CE1-N 3Å; H124-S181 PolarHBondContact CE1-O 3.17Å; H124-S181 VanDerWaalsContact CE1-O 3.31Å; H124-S181 PolarHBondContact ND1-N 3.5Å; H124-S181 PolarHBondContact O-N 3.12Å | ||
| 125 | G | 96 | Very high | 92.8 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 22% | 0.215 | C | C | . | . | trans | -93.8 | -160.3 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | D58 D128 S181 H215 | D58-G125 VanDerWaalsContact OD1-C 3.26Å; D58-G125 WeakPolarHBondContact OD1-CA 3.39Å; G125-D128 VanDerWaalsContact CA-OD1 3.28Å; G125-D128 WeakPolarHBondContact CA-OD1 3.44Å; G125-D128 PolarHBondContact N-OD1 2.83Å; G125-S181 VanDerWaalsContact O-CB 3.28Å; G125-S181 WeakPolarHBondContact O-CB 3.29Å; G125-H215 WeakPolarHBondContact CA-CD2 3.39Å | ||
| 126 | N | 95.1 | Very high | 92.6 | Very high | 56 Ų | 56 | 31.2 Ų | 31.2 | 30% | 0.299 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -89.2 | -19.3 | -178.4 | 62 | -75.1 | 0 | 0 | 0 | 113.3 | D58 H215 H243 | D58-N126 PolarHBondContact OD1-N 3.35Å; D58-N126 PolarHBondContact OD2-OD1 3.08Å; N126-H215 PolarHBondContact OD1-CD2 2.8Å; N126-H215 PolarHBondContact OD1-NE2 2.88Å; N126-H243 PolarHBondContact OD1-CE1 3.2Å; N126-H243 VanDerWaalsContact OD1-CE1 3.31Å; N126-H243 PolarHBondContact OD1-ND1 2.96Å |
| 127 | H | 94 | Very high | 92.5 | Very high | 63 Ų | 63 | 31.1 Ų | 31.1 | 29% | 0.292 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -87.5 | -32.2 | 173.8 | -79.6 | -102.9 | 0 | 0 | 0 | 112.5 | H20 D58 F60 H61 E62 S63 | H20-H127 AromaticContact CE1-CD2 3.55Å; H20-H127 AromaticContact CE1-CG 3.8Å; H20-H127 AromaticContact CE1-NE2 3.86Å; D58-H127 PolarHBondContact OD1-N 3.01Å; D58-H127 IonicContact OD2-CD2 2.77Å; D58-H127 PolarHBondContact OD2-CD2 2.97Å; D58-H127 IonicContact OD2-CG 3.2Å; F60-H127 WeakPolarHBondContact O-CB 3.43Å; H61-H127 AromaticContact CE1-CE1 3.75Å; H61-H127 AromaticContact ND1-CE1 3.92Å; H61-H127 AromaticContact ND1-ND1 3.85Å; H61-H127 PolarHBondContact O-ND1 2.75Å; E62-H127 CarbonylContact C-O 3.54Å; S63-H127 WeakPolarHBondContact CA-O 3.41Å; S63-H127 VanDerWaalsContact CB-O 3.24Å; S63-H127 WeakPolarHBondContact CB-O 3.49Å; S63-H127 PolarHBondContact N-O 3.17Å |
| 128 | D | 91.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -105 | 41.5 | 174.4 | 56.5 | 2.7 | 0 | 0 | 0 | 111.8 | D58 I59 F60 H124 G125 C137 A138 | D58-D128 PolarHBondContact N-OD1 2.89Å; I59-D128 PolarHBondContact N-OD2 3Å; F60-D128 HydrophobicContact CB-CB 4.48Å; H124-D128 WeakPolarHBondContact CB-O 3.49Å; G125-D128 VanDerWaalsContact CA-OD1 3.28Å; G125-D128 WeakPolarHBondContact CA-OD1 3.44Å; G125-D128 PolarHBondContact N-OD1 2.83Å; D128-C137 WeakPolarHBondContact O-CB 3.43Å; D128-A138 HydrophobicContact CB-CB 4.4Å |
| 129 | D | 92.2 | Very high | 92.3 | Very high | 64 Ų | 64 | 30.6 Ų | 30.6 | 34% | 0.342 | 21% | 0.208 | S | C | . | . | trans | -70.3 | 149.5 | 179.9 | 70 | -39.1 | 0 | 0 | 0 | 113.1 | S131 | D129-S131 PolarHBondContact O-N 3.21Å; D129-S131 VanDerWaalsContact O-N 3.14Å | ||
| 130 | P | 91.8 | Very high | 92.2 | Very high | 44 Ų | 44 | 30.8 Ų | 30.8 | 29% | 0.286 | 21% | 0.209 | S | C | . | . | trans | -58 | 115.9 | 172 | -26.5 | 35.6 | 0 | 0 | 0 | 111.4 | H124 C137 | H124-P130 WeakPolarHBondContact ND1-CD 3.15Å; P130-C137 HydrophobicContact CG-CB 4.32Å | ||
| 131 | S | 87.5 | Confident | 92 | Very high | 35 Ų | 35 | 34.6 Ų | 34.6 | 25% | 0.245 | 23% | 0.229 | C | C | . | . | B | Isolated β-bridge | trans | -141.7 | 152.2 | -177 | 68.1 | 0 | 0 | 0 | 0 | 113.1 | D129 L136 | D129-S131 PolarHBondContact O-N 3.21Å; D129-S131 VanDerWaalsContact O-N 3.14Å; S131-L136 PolarHBondContact N-O 3.09Å |
| 132 | G | 83.9 | Confident | 91.9 | Very high | 44 Ų | 44 | 34.6 Ų | 34.6 | 45% | 0.454 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80.7 | -173.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | G134 G135 | G132-G134 PolarHBondContact O-N 3.06Å; G132-G135 PolarHBondContact O-N 2.97Å; G132-G135 VanDerWaalsContact O-N 3.15Å |
| 133 | P | 83.3 | Confident | 91.8 | Very high | 128 Ų | 128 | 34.9 Ų | 34.9 | 83% | 0.831 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | 133.5 | -177.8 | 26.5 | -33.5 | 0 | 0 | 0 | 110.6 | G135 | P133-G135 VanDerWaalsContact C-N 3.3Å; P133-G135 PolarHBondContact O-N 3.22Å |
| 134 | G | 82.2 | Confident | 91.7 | Very high | 75 Ų | 75 | 37.9 Ų | 37.9 | 77% | 0.773 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 81.6 | -1.6 | -177 | 0 | 0 | 0 | 0 | 0 | 115.2 | G132 L136 | G132-G134 PolarHBondContact O-N 3.06Å; G134-L136 VanDerWaalsContact C-N 3.32Å; G134-L136 PolarHBondContact O-N 3.23Å |
| 135 | G | 87.3 | Confident | 91.6 | Very high | 28 Ų | 28 | 39.6 Ų | 39.6 | 29% | 0.289 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.9 | 44.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | G132 P133 K153 | G132-G135 PolarHBondContact O-N 2.97Å; G132-G135 VanDerWaalsContact O-N 3.15Å; P133-G135 VanDerWaalsContact C-N 3.3Å; P133-G135 PolarHBondContact O-N 3.22Å; G135-K153 WeakPolarHBondContact O-CE 3.48Å; G135-K153 PolarHBondContact O-NZ 2.87Å |
| 136 | L | 91.4 | Very high | 91.6 | Very high | 90 Ų | 90 | 40 Ų | 40 | 47% | 0.471 | 27% | 0.269 | S | S | . | . | B | Isolated β-bridge | trans | -87.5 | 142.3 | 178.7 | -62.9 | 175.5 | 0 | 0 | 0 | 110.1 | S131 G134 D140 | S131-L136 PolarHBondContact N-O 3.09Å; G134-L136 VanDerWaalsContact C-N 3.32Å; G134-L136 PolarHBondContact O-N 3.23Å; L136-D140 WeakPolarHBondContact CA-OD2 3.39Å; L136-D140 HydrophobicContact CD2-CB 4.16Å |
| 137 | C | 92.9 | Very high | 91.7 | Very high | 5 Ų | 5 | 38 Ų | 38 | 3% | 0.034 | 26% | 0.258 | C | S | . | . | trans | -113.7 | 170.2 | 167.9 | 64.3 | 0 | 0 | 0 | 0 | 111.7 | D128 P130 A139 D140 | D128-C137 WeakPolarHBondContact O-CB 3.43Å; P130-C137 HydrophobicContact CG-CB 4.32Å; C137-A139 PolarHBondContact O-N 3.28Å; C137-D140 PolarHBondContact N-OD2 3.34Å; C137-D140 WeakPolarHBondContact O-CB 3.42Å; C137-D140 PolarHBondContact O-N 3.31Å; C137-D140 PolarHBondContact SG-N 3.3Å; C137-D140 VanDerWaalsContact SG-N 3.44Å; C137-D140 PolarHBondContact SG-OD2 2.96Å | ||
| 138 | A | 93.5 | Very high | 91.8 | Very high | 2 Ų | 2 | 35 Ų | 35 | 2% | 0.017 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -58.8 | -32.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | F60 P65 D128 L141 | F60-A138 HydrophobicContact CD2-CB 3.4Å; F60-A138 HydrophobicContact CE2-CB 3.72Å; F60-A138 HydrophobicContact CG-CB 4.18Å; P65-A138 HydrophobicContact CG-CB 3.87Å; D128-A138 HydrophobicContact CB-CB 4.4Å; A138-L141 WeakPolarHBondContact O-CB 3.18Å; A138-L141 PolarHBondContact O-N 3.05Å |
| 139 | A | 94.1 | Very high | 92 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -68.4 | -31.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | T122 C137 L141 L142 H143 I148 L150 | T122-A139 HydrophobicContact CG2-CB 4.47Å; C137-A139 PolarHBondContact O-N 3.28Å; A139-L141 PolarHBondContact O-N 3.3Å; A139-L142 PolarHBondContact O-N 3.47Å; A139-H143 WeakPolarHBondContact O-CB 3.49Å; A139-H143 PolarHBondContact O-N 2.93Å; A139-I148 HydrophobicContact CB-CD1 3.91Å; A139-I148 WeakPolarHBondContact O-CD1 3.32Å; A139-L150 HydrophobicContact CB-CD1 3.97Å; A139-L150 HydrophobicContact CB-CD2 4.18Å |
| 140 | D | 94 | Very high | 92.2 | Very high | 4 Ų | 4 | 32 Ų | 32 | 2% | 0.021 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.5 | -36.9 | 173.9 | -76.9 | -58.8 | 0 | 0 | 0 | 111.5 | L136 C137 H143 T144 L150 K153 | L136-D140 WeakPolarHBondContact CA-OD2 3.39Å; L136-D140 HydrophobicContact CD2-CB 4.16Å; C137-D140 PolarHBondContact N-OD2 3.34Å; C137-D140 WeakPolarHBondContact O-CB 3.42Å; C137-D140 PolarHBondContact O-N 3.31Å; C137-D140 PolarHBondContact SG-N 3.3Å; C137-D140 VanDerWaalsContact SG-N 3.44Å; C137-D140 PolarHBondContact SG-OD2 2.96Å; D140-H143 PolarHBondContact O-N 3.33Å; D140-T144 VanDerWaalsContact O-CB 3.3Å; D140-T144 WeakPolarHBondContact O-CB 3.38Å; D140-T144 PolarHBondContact O-N 3Å; D140-T144 PolarHBondContact O-OG1 2.91Å; D140-L150 VanDerWaalsContact OD1-CD2 3.29Å; D140-L150 WeakPolarHBondContact OD1-CD2 3.35Å; D140-K153 IonicContact OD1-NZ 2.84Å; D140-K153 PolarHBondContact OD1-NZ 3.5Å; D140-K153 IonicContact OD2-NZ 3.47Å; D140-K153 PolarHBondContact OD2-NZ 3.32Å |
| 141 | L | 94.1 | Very high | 92.3 | Very high | 80 Ų | 80 | 30 Ų | 30 | 42% | 0.419 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -64.9 | -42.3 | 177.6 | -60.1 | 178.7 | 0 | 0 | 0 | 111.8 | L70 A138 A139 A145 | L70-L141 HydrophobicContact CD2-CD1 4.14Å; A138-L141 WeakPolarHBondContact O-CB 3.18Å; A138-L141 PolarHBondContact O-N 3.05Å; A139-L141 PolarHBondContact O-N 3.3Å; L141-A145 WeakPolarHBondContact O-CB 3.37Å; L141-A145 PolarHBondContact O-N 3.45Å |
| 142 | L | 96 | Very high | 92.5 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -69.4 | -35.3 | 177.3 | -62.8 | 178.9 | 0 | 0 | 0 | 111.7 | F60 L70 V73 M74 L77 A139 A145 G146 L147 I148 | F60-L142 HydrophobicContact CE2-CD1 3.71Å; F60-L142 HydrophobicContact CE2-CG 4.31Å; F60-L142 HydrophobicContact CZ-CD1 3.91Å; F60-L142 HydrophobicContact CZ-CG 4.4Å; L70-L142 HydrophobicContact CD1-CD2 4.02Å; V73-L142 HydrophobicContact CG1-CD1 3.86Å; V73-L142 HydrophobicContact CG1-CD2 4.2Å; M74-L142 HydrophobicContact CE-CD2 3.93Å; M74-L142 HydrophobicContact CG-CD2 3.53Å; L77-L142 HydrophobicContact CD1-CD1 4.35Å; A139-L142 PolarHBondContact O-N 3.47Å; L142-A145 PolarHBondContact O-N 3.19Å; L142-G146 PolarHBondContact O-N 3.41Å; L142-L147 HydrophobicContact CD2-CD1 4.47Å; L142-L147 PolarHBondContact O-N 3.36Å; L142-I148 HydrophobicContact CB-CD1 3.61Å; L142-I148 HydrophobicContact CB-CG1 3.55Å; L142-I148 HydrophobicContact CB-CG2 4.33Å; L142-I148 HydrophobicContact CD1-CD1 4.15Å |
| 143 | H | 95 | Very high | 92.8 | Very high | 6 Ų | 6 | 28.3 Ų | 28.3 | 3% | 0.028 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -67.2 | -45.2 | 175.5 | 179.8 | 72.3 | 0 | 0 | 0 | 111.4 | F99 T102 F104 A139 D140 A145 G146 I148 N149 L150 | F99-H143 AromaticContact CD1-CE1 3.78Å; T102-H143 WeakPolarHBondContact CB-CD2 3.43Å; T102-H143 WeakPolarHBondContact CB-NE2 3.4Å; T102-H143 PolarHBondContact OG1-CD2 3.4Å; T102-H143 PolarHBondContact OG1-NE2 3.46Å; F104-H143 PolarHBondContact O-NE2 3.48Å; F104-H143 VanDerWaalsContact O-NE2 3.09Å; A139-H143 WeakPolarHBondContact O-CB 3.49Å; A139-H143 PolarHBondContact O-N 2.93Å; D140-H143 PolarHBondContact O-N 3.33Å; H143-A145 PolarHBondContact O-N 2.57Å; H143-G146 WeakPolarHBondContact O-CA 3.38Å; H143-G146 PolarHBondContact O-N 3Å; H143-I148 WeakPolarHBondContact CA-O 3.45Å; H143-I148 HydrophobicContact CB-CG1 4.08Å; H143-I148 PolarHBondContact ND1-O 3.3Å; H143-N149 WeakPolarHBondContact ND1-CA 3.38Å; H143-L150 HydrophobicContact CB-CB 4.16Å; H143-L150 PolarHBondContact ND1-N 3.04Å |
| 144 | T | 93.9 | Very high | 93.1 | Very high | 63 Ų | 63 | 24.2 Ų | 24.2 | 39% | 0.387 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -60.3 | -33.4 | 174.9 | -56.7 | 0 | 0 | 0 | 0 | 111.7 | F104 D140 G146 | F104-T144 HydrophobicContact CD2-CG2 4.08Å; F104-T144 HydrophobicContact CE2-CG2 3.64Å; D140-T144 VanDerWaalsContact O-CB 3.3Å; D140-T144 WeakPolarHBondContact O-CB 3.38Å; D140-T144 PolarHBondContact O-N 3Å; D140-T144 PolarHBondContact O-OG1 2.91Å; T144-G146 PolarHBondContact O-N 3.2Å |
| 145 | A | 94.9 | Very high | 93.2 | Very high | 45 Ų | 45 | 25.6 Ų | 25.6 | 37% | 0.372 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76 | -2.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | M74 L141 L142 H143 L147 | M74-A145 HydrophobicContact CE-CB 4.27Å; L141-A145 WeakPolarHBondContact O-CB 3.37Å; L141-A145 PolarHBondContact O-N 3.45Å; L142-A145 PolarHBondContact O-N 3.19Å; H143-A145 PolarHBondContact O-N 2.57Å; A145-L147 VanDerWaalsContact C-N 3.31Å; A145-L147 HydrophobicContact CB-CD1 4.23Å; A145-L147 HydrophobicContact CB-CG 4.12Å; A145-L147 PolarHBondContact O-N 3.14Å |
| 146 | G | 95 | Very high | 93.1 | Very high | 9 Ų | 9 | 26.8 Ų | 26.8 | 9% | 0.093 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.7 | 14.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | N108 L142 H143 T144 | N108-G146 WeakPolarHBondContact CB-O 3.44Å; N108-G146 PolarHBondContact ND2-O 2.86Å; L142-G146 PolarHBondContact O-N 3.41Å; H143-G146 WeakPolarHBondContact O-CA 3.38Å; H143-G146 PolarHBondContact O-N 3Å; T144-G146 PolarHBondContact O-N 3.2Å |
| 147 | L | 96.4 | Very high | 92.9 | Very high | 12 Ų | 12 | 26.4 Ų | 26.4 | 6% | 0.063 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -91.6 | -26.5 | -174.9 | -57.9 | 178.6 | 0 | 0 | 0 | 113.2 | M74 L77 R78 L142 A145 | M74-L147 HydrophobicContact CB-CD1 3.88Å; M74-L147 HydrophobicContact CG-CD1 3.78Å; L77-L147 HydrophobicContact CB-CB 4.28Å; L77-L147 HydrophobicContact CB-CD1 4.36Å; L77-L147 HydrophobicContact CD1-CB 4.02Å; R78-L147 HydrophobicContact CG-CD1 4.37Å; R78-L147 HydrophobicContact CG-CD2 3.5Å; L142-L147 HydrophobicContact CD2-CD1 4.47Å; L142-L147 PolarHBondContact O-N 3.36Å; A145-L147 VanDerWaalsContact C-N 3.31Å; A145-L147 HydrophobicContact CB-CD1 4.23Å; A145-L147 HydrophobicContact CB-CG 4.12Å; A145-L147 PolarHBondContact O-N 3.14Å |
| 148 | I | 96.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 20% | 0.201 | C | C | . | . | trans | -139.1 | 166.3 | -179.9 | 67 | 163.5 | 0 | 0 | 0 | 111.5 | L77 V120 T122 A139 L142 H143 | L77-I148 HydrophobicContact CD1-CG2 3.84Å; V120-I148 HydrophobicContact CB-CB 4.28Å; V120-I148 HydrophobicContact CB-CG2 3.95Å; V120-I148 HydrophobicContact CG1-CB 4.31Å; V120-I148 HydrophobicContact CG1-CG2 3.84Å; V120-I148 CarbonylContact O-C 3.51Å; T122-I148 HydrophobicContact CG2-CB 4.48Å; T122-I148 HydrophobicContact CG2-CD1 3.4Å; T122-I148 VanDerWaalsContact CG2-CD1 3.4Å; T122-I148 HydrophobicContact CG2-CG1 4.4Å; A139-I148 HydrophobicContact CB-CD1 3.91Å; A139-I148 WeakPolarHBondContact O-CD1 3.32Å; L142-I148 HydrophobicContact CB-CD1 3.61Å; L142-I148 HydrophobicContact CB-CG1 3.55Å; L142-I148 HydrophobicContact CB-CG2 4.33Å; L142-I148 HydrophobicContact CD1-CD1 4.15Å; H143-I148 WeakPolarHBondContact CA-O 3.45Å; H143-I148 HydrophobicContact CB-CG1 4.08Å; H143-I148 PolarHBondContact ND1-O 3.3Å | ||
| 149 | N | 96.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 100.4 | 172.1 | -58.7 | -73 | 0 | 0 | 0 | 108.4 | F99 A107 N108 V120 F121 T122 H143 | F99-N149 HydrophobicContact CE1-CB 3.91Å; F99-N149 HydrophobicContact CZ-CB 3.94Å; A107-N149 WeakPolarHBondContact CA-OD1 3.47Å; N108-N149 PolarHBondContact N-OD1 3.49Å; N108-N149 PolarHBondContact OD1-ND2 3.03Å; N108-N149 PolarHBondContact OD1-OD1 2.92Å; V120-N149 WeakPolarHBondContact O-CB 3.44Å; V120-N149 PolarHBondContact O-N 2.74Å; V120-N149 PolarHBondContact O-ND2 2.86Å; V120-N149 VanDerWaalsContact O-ND2 3.11Å; F121-N149 WeakPolarHBondContact CA-O 3.35Å; F121-N149 HydrophobicContact CD1-CB 3.65Å; F121-N149 HydrophobicContact CE1-CB 3.81Å; F121-N149 HydrophobicContact CG-CB 4.26Å; T122-N149 PolarHBondContact N-O 3.46Å; H143-N149 WeakPolarHBondContact ND1-CA 3.38Å |
| 150 | L | 95.6 | Very high | 92.6 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 121.3 | 175.4 | 177.6 | 63 | 0 | 0 | 0 | 109 | F99 T102 T122 A139 D140 H143 K153 | F99-L150 VanDerWaalsContact CD1-O 3.28Å; F99-L150 WeakPolarHBondContact CD1-O 3.43Å; F99-L150 WeakPolarHBondContact CE1-O 3.47Å; T102-L150 HydrophobicContact CG2-CB 4.32Å; T102-L150 HydrophobicContact CG2-CD2 4.32Å; T122-L150 HydrophobicContact CG2-CD1 4.24Å; T122-L150 WeakPolarHBondContact O-CA 3.25Å; T122-L150 WeakPolarHBondContact O-CD1 3.41Å; A139-L150 HydrophobicContact CB-CD1 3.97Å; A139-L150 HydrophobicContact CB-CD2 4.18Å; D140-L150 VanDerWaalsContact OD1-CD2 3.29Å; D140-L150 WeakPolarHBondContact OD1-CD2 3.35Å; H143-L150 HydrophobicContact CB-CB 4.16Å; H143-L150 PolarHBondContact ND1-N 3.04Å; L150-K153 HydrophobicContact CD2-CD 4.26Å |
| 151 | F | 94.6 | Very high | 92.5 | Very high | 2 Ų | 2 | 41.5 Ų | 41.5 | 1% | 0.009 | 23% | 0.234 | C | C | . | . | trans | -129.4 | 169.5 | 175.8 | 75.2 | -69.4 | 0 | 0 | 0 | 110 | L54 I98 F121 T122 I123 K153 V165 L176 | L54-F151 HydrophobicContact CD1-CE1 3.97Å; L54-F151 HydrophobicContact CD1-CZ 3.91Å; I98-F151 HydrophobicContact CG2-CB 4.07Å; F121-F151 HydrophobicContact CB-CD1 4.15Å; F121-F151 HydrophobicContact CB-CE1 3.85Å; F121-F151 HydrophobicContact CD1-CD1 4.37Å; T122-F151 WeakPolarHBondContact O-CD1 3.41Å; T122-F151 PolarHBondContact O-N 3.16Å; I123-F151 HydrophobicContact CG2-CD1 4.3Å; I123-F151 HydrophobicContact CG2-CD2 4.46Å; I123-F151 HydrophobicContact CG2-CE1 3.89Å; I123-F151 HydrophobicContact CG2-CE2 4.1Å; I123-F151 HydrophobicContact CG2-CZ 3.78Å; F151-K153 VanDerWaalsContact C-N 3.3Å; F151-K153 PolarHBondContact O-N 3.21Å; F151-V165 HydrophobicContact CB-CG2 4.22Å; F151-V165 HydrophobicContact CD2-CG2 3.88Å; F151-V165 HydrophobicContact CG-CG2 4.18Å; F151-L176 HydrophobicContact CE1-CD2 4.27Å; F151-L176 HydrophobicContact CE2-CD1 4.48Å; F151-L176 HydrophobicContact CE2-CD2 4.01Å; F151-L176 HydrophobicContact CE2-CG 3.77Å; F151-L176 HydrophobicContact CZ-CD1 4.28Å; F151-L176 HydrophobicContact CZ-CD2 3.72Å; F151-L176 HydrophobicContact CZ-CG 3.83Å | ||
| 152 | G | 91 | Very high | 92.5 | Very high | 15 Ų | 15 | 37.8 Ų | 37.8 | 16% | 0.155 | 21% | 0.214 | C | C | . | . | trans | 71.8 | 20.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | F154 G178 G180 | G152-F154 WeakPolarHBondContact O-CE2 3.44Å; G152-F154 WeakPolarHBondContact O-CZ 3.4Å; G152-G178 WeakPolarHBondContact CA-O 3.25Å; G152-G180 PolarHBondContact O-N 3.27Å; G152-G180 VanDerWaalsContact O-N 3.08Å | ||
| 153 | K | 91.4 | Very high | 92.4 | Very high | 29 Ų | 29 | 40 Ų | 40 | 13% | 0.126 | 23% | 0.228 | C | C | . | . | trans | -88.8 | 136.3 | 170.5 | -175.6 | 179.1 | 178.9 | -174.9 | 0 | 109.6 | N101 G135 D140 L150 F151 | N101-K153 HydrophobicContact CB-CB 4.35Å; N101-K153 HydrophobicContact CB-CD 4.07Å; N101-K153 HydrophobicContact CB-CG 4.16Å; N101-K153 PolarHBondContact ND2-O 3.3Å; N101-K153 PolarHBondContact O-NZ 3.4Å; G135-K153 WeakPolarHBondContact O-CE 3.48Å; G135-K153 PolarHBondContact O-NZ 2.87Å; D140-K153 IonicContact OD1-NZ 2.84Å; D140-K153 PolarHBondContact OD1-NZ 3.5Å; D140-K153 IonicContact OD2-NZ 3.47Å; D140-K153 PolarHBondContact OD2-NZ 3.32Å; L150-K153 HydrophobicContact CD2-CD 4.26Å; F151-K153 VanDerWaalsContact C-N 3.3Å; F151-K153 PolarHBondContact O-N 3.21Å | ||
| 154 | F | 88 | Confident | 92.3 | Very high | 43 Ų | 43 | 39.9 Ų | 39.9 | 19% | 0.189 | 23% | 0.227 | C | C | . | . | trans | -109.3 | 143.7 | -176.7 | -48.6 | -64 | 0 | 0 | 0 | 112.1 | G152 I160 L162 L179 V182 | G152-F154 WeakPolarHBondContact O-CE2 3.44Å; G152-F154 WeakPolarHBondContact O-CZ 3.4Å; F154-I160 HydrophobicContact CD1-CG2 3.81Å; F154-I160 HydrophobicContact CD2-CG2 4.22Å; F154-I160 HydrophobicContact CE1-CG2 3.58Å; F154-I160 HydrophobicContact CE2-CG2 4Å; F154-I160 HydrophobicContact CG-CG2 4.15Å; F154-I160 HydrophobicContact CZ-CG2 3.69Å; F154-L162 HydrophobicContact CE1-CD2 3.53Å; F154-L162 HydrophobicContact CE1-CG 4.41Å; F154-L162 HydrophobicContact CZ-CD2 3.47Å; F154-L162 VanDerWaalsContact CZ-CD2 3.47Å; F154-L179 HydrophobicContact CE2-CD1 3.79Å; F154-L179 HydrophobicContact CZ-CD1 3.75Å; F154-V182 HydrophobicContact CD2-CG2 4.47Å | ||
| 155 | S | 84.8 | Confident | 92.4 | Very high | 104 Ų | 104 | 36.9 Ų | 36.9 | 73% | 0.727 | 21% | 0.209 | S | C | * | . | S | Bend | trans | -86.7 | -36.5 | 173 | 53 | 0 | 0 | 0 | 0 | 112.1 | N101 | N101-S155 PolarHBondContact ND2-N 2.87Š|
| 156 | S | 86.4 | Confident | 92.4 | Very high | 52 Ų | 52 | 36 Ų | 36 | 36% | 0.364 | 20% | 0.198 | S | C | . | . | trans | -96.3 | 139.3 | 178.8 | -178.2 | 0 | 0 | 0 | 0 | 111.7 | E158 R159 | S156-E158 PolarHBondContact OG-N 3.09Å; S156-R159 WeakPolarHBondContact CB-O 3.24Å; S156-R159 PolarHBondContact OG-N 3.26Å | ||
| 157 | V | 85.7 | Confident | 92.5 | Very high | 82 Ų | 82 | 35.6 Ų | 35.6 | 50% | 0.497 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -90 | -22.3 | 175.4 | 179.5 | 0 | 0 | 0 | 0 | 111.6 | ||
| 158 | E | 89.8 | Confident | 92.4 | Very high | 159 Ų | 159 | 39.1 Ų | 39.1 | 74% | 0.743 | 21% | 0.206 | S | C | * | . | S | Bend | trans | -92.9 | -26 | -175.1 | -62.9 | -173 | 163.4 | 0 | 0 | 113.3 | S156 L190 S195 | S156-E158 PolarHBondContact OG-N 3.09Å; E158-L190 WeakPolarHBondContact O-CD2 3.27Å; E158-S195 WeakPolarHBondContact O-CB 2.96Å |
| 159 | R | 92 | Very high | 92.3 | Very high | 109 Ų | 109 | 39.5 Ų | 39.5 | 41% | 0.411 | 21% | 0.208 | S | C | . | . | trans | -135.9 | 129.1 | 179.8 | -176.5 | -179.6 | 175.5 | 148.9 | 6.7 | 109.4 | S156 D161 S195 T197 | S156-R159 WeakPolarHBondContact CB-O 3.24Å; S156-R159 PolarHBondContact OG-N 3.26Å; R159-D161 IonicContact CZ-OD1 3.44Å; R159-D161 IonicContact CZ-OD2 2.8Å; R159-D161 IonicContact NE-OD1 2.71Å; R159-D161 PolarHBondContact NE-OD1 2.82Å; R159-D161 IonicContact NE-OD2 4Å; R159-D161 PolarHBondContact NE-OD2 2.86Å; R159-D161 VanDerWaalsContact NE-OD2 3.14Å; R159-D161 IonicContact NH2-OD1 3.2Å; R159-S195 WeakPolarHBondContact CA-O 3.24Å; R159-T197 PolarHBondContact NH2-OG1 2.83Å | ||
| 160 | I | 93.8 | Very high | 92.1 | Very high | 3 Ų | 3 | 41.6 Ų | 41.6 | 2% | 0.015 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 113.9 | 179.5 | -62.5 | 176.5 | 0 | 0 | 0 | 107.9 | F154 L162 L179 V182 L187 L190 S195 V196 T197 | F154-I160 HydrophobicContact CD1-CG2 3.81Å; F154-I160 HydrophobicContact CD2-CG2 4.22Å; F154-I160 HydrophobicContact CE1-CG2 3.58Å; F154-I160 HydrophobicContact CE2-CG2 4Å; F154-I160 HydrophobicContact CG-CG2 4.15Å; F154-I160 HydrophobicContact CZ-CG2 3.69Å; I160-L162 HydrophobicContact CG2-CD2 4.23Å; I160-L162 HydrophobicContact CG2-CG 4.09Å; I160-L179 HydrophobicContact CD1-CD1 4.48Å; I160-L179 HydrophobicContact CG2-CD1 3.94Å; I160-V182 HydrophobicContact CD1-CG2 4.06Å; I160-L187 HydrophobicContact CD1-CD1 3.76Å; I160-L190 HydrophobicContact CD1-CD1 3.54Å; I160-L190 HydrophobicContact CG1-CD1 3.99Å; I160-S195 PolarHBondContact N-O 3.1Å; I160-V196 HydrophobicContact CB-CG1 4.26Å; I160-V196 HydrophobicContact CB-CG2 4.27Å; I160-V196 HydrophobicContact CG2-CG1 4.21Å; I160-V196 CarbonylContact O-C 3.57Å; I160-V196 VanDerWaalsContact O-CA 3.29Å; I160-V196 WeakPolarHBondContact O-CA 3.23Å; I160-T197 PolarHBondContact O-N 2.97Å |
| 161 | D | 92.3 | Very high | 91.9 | Very high | 57 Ų | 57 | 46.9 Ų | 46.9 | 31% | 0.305 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 110.6 | -179 | -78.9 | -19.2 | 0 | 0 | 0 | 108.1 | R159 T197 Y199 | R159-D161 IonicContact CZ-OD1 3.44Å; R159-D161 IonicContact CZ-OD2 2.8Å; R159-D161 IonicContact NE-OD1 2.71Å; R159-D161 PolarHBondContact NE-OD1 2.82Å; R159-D161 IonicContact NE-OD2 4Å; R159-D161 PolarHBondContact NE-OD2 2.86Å; R159-D161 VanDerWaalsContact NE-OD2 3.14Å; R159-D161 IonicContact NH2-OD1 3.2Å; D161-T197 VanDerWaalsContact OD1-CB 3.26Å; D161-T197 WeakPolarHBondContact OD1-CB 3.36Å; D161-T197 PolarHBondContact OD1-OG1 3.37Å; D161-T197 VanDerWaalsContact OD1-OG1 3.07Å; D161-Y199 HydrophobicContact CB-CE2 3.84Å |
| 162 | L | 93.1 | Very high | 91.9 | Very high | 3 Ų | 3 | 46.9 Ų | 46.9 | 2% | 0.016 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 104.2 | -173.8 | -67.7 | 167.4 | 0 | 0 | 0 | 110.5 | F154 I160 Y177 G178 L179 V196 T197 F198 Y199 | F154-L162 HydrophobicContact CE1-CD2 3.53Å; F154-L162 HydrophobicContact CE1-CG 4.41Å; F154-L162 HydrophobicContact CZ-CD2 3.47Å; F154-L162 VanDerWaalsContact CZ-CD2 3.47Å; I160-L162 HydrophobicContact CG2-CD2 4.23Å; I160-L162 HydrophobicContact CG2-CG 4.09Å; L162-Y177 HydrophobicContact CB-CD1 4.41Å; L162-G178 WeakPolarHBondContact CD2-O 3.49Å; L162-L179 HydrophobicContact CD1-CD1 4.38Å; L162-L179 HydrophobicContact CD2-CB 4.38Å; L162-L179 HydrophobicContact CD2-CD1 4.07Å; L162-V196 HydrophobicContact CD1-CG1 4.06Å; L162-T197 PolarHBondContact N-O 3.29Å; L162-F198 HydrophobicContact CB-CD1 4.22Å; L162-F198 HydrophobicContact CB-CG 4.49Å; L162-F198 HydrophobicContact CD1-CD1 3.73Å; L162-F198 HydrophobicContact CD1-CD2 4.08Å; L162-F198 HydrophobicContact CD1-CE1 3.3Å; L162-F198 HydrophobicContact CD1-CE2 3.68Å; L162-F198 HydrophobicContact CD1-CG 4.11Å; L162-F198 HydrophobicContact CD1-CZ 3.27Å; L162-Y199 PolarHBondContact O-N 3.49Å |
| 163 | T | 93 | Very high | 92.1 | Very high | 45 Ų | 45 | 48.9 Ų | 48.9 | 28% | 0.276 | 26% | 0.261 | S | S | . | . | trans | -94.4 | 126.4 | 173.3 | -53.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 164 | P | 94.6 | Very high | 92.4 | Very high | 4 Ų | 4 | 47.7 Ų | 47.7 | 3% | 0.026 | 26% | 0.256 | C | S | . | . | trans | -76.2 | 144.8 | -179.6 | 28.3 | -32.4 | 0 | 0 | 0 | 112.7 | L166 A175 L176 Y177 Y199 | P164-L166 HydrophobicContact CB-CD2 4.07Å; P164-L166 HydrophobicContact CG-CD2 3.92Å; P164-L166 PolarHBondContact O-N 3.44Å; P164-A175 HydrophobicContact CB-CB 4.12Å; P164-L176 CarbonylContact C-O 3.57Å; P164-L176 WeakPolarHBondContact CA-O 3.32Å; P164-Y177 HydrophobicContact CB-CD1 3.94Å; P164-Y177 HydrophobicContact CB-CD2 4.22Å; P164-Y177 HydrophobicContact CB-CE1 3.64Å; P164-Y177 HydrophobicContact CB-CE2 3.92Å; P164-Y177 HydrophobicContact CB-CG 4.22Å; P164-Y177 HydrophobicContact CG-CD1 4.49Å; P164-Y177 HydrophobicContact CG-CE1 3.79Å; P164-Y199 VanDerWaalsContact CD-O 3.31Å; P164-Y199 WeakPolarHBondContact CD-O 3.48Å | ||
| 165 | V | 95.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 115.1 | 162.2 | -172.1 | 0 | 0 | 0 | 0 | 108 | L91 I98 F121 F151 L167 L176 | L91-V165 HydrophobicContact CD1-CG1 3.54Å; I98-V165 HydrophobicContact CD1-CB 4.2Å; I98-V165 HydrophobicContact CD1-CG1 4.2Å; I98-V165 HydrophobicContact CD1-CG2 4.01Å; I98-V165 HydrophobicContact CG1-CG2 4.37Å; I98-V165 HydrophobicContact CG2-CG2 3.76Å; F121-V165 HydrophobicContact CE1-CG1 4.08Å; F151-V165 HydrophobicContact CB-CG2 4.22Å; F151-V165 HydrophobicContact CD2-CG2 3.88Å; F151-V165 HydrophobicContact CG-CG2 4.18Å; V165-L167 HydrophobicContact CG1-CD2 3.88Å; V165-L167 HydrophobicContact CG1-CG 4.18Å; V165-L176 HydrophobicContact CB-CB 4.22Å; V165-L176 PolarHBondContact N-O 3.3Å; V165-L176 PolarHBondContact O-N 2.91Å |
| 166 | L | 95.6 | Very high | 93.4 | Very high | 27 Ų | 27 | 40.8 Ų | 40.8 | 14% | 0.141 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 111.3 | -175.7 | -60.6 | 179.6 | 0 | 0 | 0 | 109.7 | L92 S93 P164 A175 P201 W208 | L92-L166 HydrophobicContact CB-CB 4.09Å; L92-L166 PolarHBondContact N-O 3.14Å; S93-L166 PolarHBondContact OG-N 3.38Å; P164-L166 HydrophobicContact CB-CD2 4.07Å; P164-L166 HydrophobicContact CG-CD2 3.92Å; P164-L166 PolarHBondContact O-N 3.44Å; L166-A175 HydrophobicContact CD2-CB 3.85Å; L166-P201 HydrophobicContact CD1-CB 4.15Å; L166-P201 HydrophobicContact CD2-CB 4.23Å; L166-P201 HydrophobicContact CD2-CG 4.15Å; L166-W208 HydrophobicContact CB-CH2 3.69Å; L166-W208 HydrophobicContact CB-CZ3 3.87Å; L166-W208 HydrophobicContact CD1-CH2 4.24Å; L166-W208 HydrophobicContact CD1-CZ2 4.33Å; L166-W208 HydrophobicContact CD2-CD2 4.35Å; L166-W208 HydrophobicContact CD2-CE3 4.02Å; L166-W208 HydrophobicContact CD2-CH2 3.92Å; L166-W208 HydrophobicContact CD2-CZ2 4.25Å; L166-W208 HydrophobicContact CD2-CZ3 3.8Å; L166-W208 HydrophobicContact CG-CH2 4.16Å; L166-W208 HydrophobicContact CG-CZ3 4.36Å |
| 167 | L | 95.5 | Very high | 93.9 | Very high | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 141.8 | -177.6 | -56.5 | 178.7 | 0 | 0 | 0 | 110.8 | F52 F89 E90 L91 F121 V165 R173 V174 | F52-L167 HydrophobicContact CE1-CD1 3.76Å; F52-L167 HydrophobicContact CZ-CD1 3.92Å; F89-L167 HydrophobicContact CD2-CB 4.47Å; F89-L167 HydrophobicContact CD2-CD2 3.89Å; F89-L167 HydrophobicContact CE2-CD1 4.36Å; F89-L167 HydrophobicContact CE2-CD2 3.78Å; E90-L167 WeakPolarHBondContact O-CA 3.46Å; L91-L167 HydrophobicContact CD1-CD2 3.69Å; F121-L167 HydrophobicContact CZ-CD2 4.49Å; V165-L167 HydrophobicContact CG1-CD2 3.88Å; V165-L167 HydrophobicContact CG1-CG 4.18Å; L167-R173 WeakPolarHBondContact O-CA 3.42Å; L167-V174 PolarHBondContact N-O 2.96Å; L167-V174 PolarHBondContact O-N 3.26Å |
| 168 | R | 94.9 | Very high | 94.3 | Very high | 86 Ų | 86 | 34.6 Ų | 34.6 | 33% | 0.325 | 17% | 0.174 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 129.7 | 174.1 | 179.1 | 174.7 | 70.1 | 176 | 6.4 | 111.5 | F89 E90 L92 G170 T172 R173 | F89-R168 CarbonylContact C-O 3.59Å; F89-R168 VanDerWaalsContact CA-O 3.25Å; F89-R168 WeakPolarHBondContact CA-O 3.27Å; F89-R168 WeakPolarHBondContact CB-O 3.19Å; E90-R168 PolarHBondContact N-O 3.31Å; E90-R168 PolarHBondContact O-N 3.39Å; E90-R168 IonicContact OE2-CZ 2.72Å; E90-R168 VanDerWaalsContact OE2-CZ 3.31Å; E90-R168 IonicContact OE2-NE 3.99Å; E90-R168 PolarHBondContact OE2-NE 3.28Å; E90-R168 VanDerWaalsContact OE2-NE 3.17Å; E90-R168 IonicContact OE2-NH2 3.69Å; E90-R168 PolarHBondContact OE2-NH2 3.25Å; L92-R168 HydrophobicContact CD1-CB 3.65Å; L92-R168 HydrophobicContact CD1-CG 4.49Å; L92-R168 HydrophobicContact CG-CB 4.13Å; R168-G170 WeakPolarHBondContact CG-O 3.3Å; R168-T172 WeakPolarHBondContact CA-O 3.45Å; R168-R173 HydrophobicContact CG-CG 4.47Å |
| 169 | K | 94.7 | Very high | 94.6 | Very high | 8 Ų | 8 | 27.1 Ų | 27.1 | 4% | 0.035 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 108.4 | 170.2 | -177.4 | 172.7 | 180 | -174.1 | 0 | 109.3 | E8 V10 L11 D51 F89 N171 T172 | E8-K169 WeakPolarHBondContact O-CG 3.22Å; V10-K169 WeakPolarHBondContact O-CD 3.39Å; V10-K169 WeakPolarHBondContact O-CE 3.19Å; V10-K169 PolarHBondContact O-NZ 3.14Å; L11-K169 HydrophobicContact CB-CD 4.4Å; L11-K169 HydrophobicContact CD1-CB 3.95Å; L11-K169 HydrophobicContact CD1-CD 3.82Å; D51-K169 IonicContact OD1-NZ 3.51Å; D51-K169 PolarHBondContact OD1-NZ 3.12Å; D51-K169 IonicContact OD2-NZ 3.49Å; D51-K169 PolarHBondContact OD2-NZ 3.39Å; F89-K169 HydrophobicContact CB-CB 3.98Å; K169-N171 PolarHBondContact O-N 3.14Å; K169-T172 PolarHBondContact N-O 3.07Å; K169-T172 WeakPolarHBondContact O-CB 3.19Å; K169-T172 PolarHBondContact O-N 3.24Å |
| 170 | G | 92.2 | Very high | 94.7 | Very high | 44 Ų | 44 | 21.9 Ų | 21.9 | 45% | 0.454 | 12% | 0.119 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55 | -120.4 | -169.4 | 0 | 0 | 0 | 0 | 0 | 111 | N9 R168 | N9-G170 WeakPolarHBondContact OD1-CA 3.28Å; R168-G170 WeakPolarHBondContact CG-O 3.3Å |
| 171 | N | 92.2 | Very high | 94.8 | Very high | 112 Ų | 112 | 22.7 Ų | 22.7 | 60% | 0.599 | 12% | 0.124 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -15.2 | 177.8 | -65.3 | -17.3 | 0 | 0 | 0 | 114 | N9 K169 | N9-N171 PolarHBondContact OD1-N 3.36Å; K169-N171 PolarHBondContact O-N 3.14Å |
| 172 | T | 94.6 | Very high | 94.9 | Very high | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.006 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 129.2 | -176.2 | -64.1 | 0 | 0 | 0 | 0 | 110.8 | N9 R168 K169 V174 I287 E289 | N9-T172 WeakPolarHBondContact O-CB 3.4Å; N9-T172 PolarHBondContact O-OG1 3.46Å; R168-T172 WeakPolarHBondContact CA-O 3.45Å; K169-T172 PolarHBondContact N-O 3.07Å; K169-T172 WeakPolarHBondContact O-CB 3.19Å; K169-T172 PolarHBondContact O-N 3.24Å; T172-V174 HydrophobicContact CG2-CG2 4.14Å; T172-I287 HydrophobicContact CG2-CG2 4.03Å; T172-E289 PolarHBondContact OG1-N 3.05Å |
| 173 | R | 95.4 | Very high | 94.9 | Very high | 58 Ų | 58 | 29.4 Ų | 29.4 | 22% | 0.219 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 124.2 | -179.5 | -59.6 | -173.8 | -169.1 | -165.3 | 8.9 | 110 | L167 R168 C204 W208 F209 | L167-R173 WeakPolarHBondContact O-CA 3.42Å; R168-R173 HydrophobicContact CG-CG 4.47Å; R173-C204 PolarHBondContact NH1-SG 3.42Å; R173-W208 HydrophobicContact CB-CD2 3.96Å; R173-W208 HydrophobicContact CB-CE3 3.56Å; R173-W208 HydrophobicContact CB-CH2 4.26Å; R173-W208 HydrophobicContact CB-CZ3 3.73Å; R173-F209 PolarHBondContact O-N 3.44Å |
| 174 | V | 96.4 | Very high | 94.9 | Very high | 3 Ų | 3 | 28.7 Ų | 28.7 | 2% | 0.018 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 128.7 | -177.7 | 178.7 | 0 | 0 | 0 | 0 | 109.7 | L11 L167 T172 W208 F209 V211 I287 | L11-V174 HydrophobicContact CD2-CB 4.11Å; L11-V174 HydrophobicContact CD2-CG2 3.59Å; L167-V174 PolarHBondContact N-O 2.96Å; L167-V174 PolarHBondContact O-N 3.26Å; T172-V174 HydrophobicContact CG2-CG2 4.14Å; V174-W208 WeakPolarHBondContact O-CZ3 3.3Å; V174-F209 WeakPolarHBondContact CA-O 3.29Å; V174-F209 HydrophobicContact CG2-CB 4.48Å; V174-V211 HydrophobicContact CG1-CG2 4.12Å; V174-I287 HydrophobicContact CG1-CD1 4.32Å; V174-I287 HydrophobicContact CG2-CB 4.47Å; V174-I287 HydrophobicContact CG2-CD1 3.97Å; V174-I287 HydrophobicContact CG2-CG2 4Å |
| 175 | A | 96.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 105.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | P164 L166 Y177 W208 F209 S210 V211 | P164-A175 HydrophobicContact CB-CB 4.12Å; L166-A175 HydrophobicContact CD2-CB 3.85Å; A175-Y177 HydrophobicContact CB-CE2 3.87Å; A175-W208 HydrophobicContact CB-CB 4.32Å; A175-W208 HydrophobicContact CB-CE3 4.08Å; A175-F209 PolarHBondContact N-O 2.92Å; A175-S210 WeakPolarHBondContact O-CA 3.38Å; A175-V211 PolarHBondContact O-N 2.79Å |
| 176 | L | 96.8 | Very high | 94.7 | Very high | 3 Ų | 3 | 37 Ų | 37 | 2% | 0.016 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 110.8 | -177.4 | 177.6 | 68 | 0 | 0 | 0 | 110.1 | L54 F121 F151 P164 V165 V211 | L54-L176 HydrophobicContact CD1-CD1 4.32Å; L54-L176 HydrophobicContact CD1-CD2 4.17Å; L54-L176 HydrophobicContact CD2-CD1 4.02Å; F121-L176 HydrophobicContact CB-CD2 4.39Å; F121-L176 HydrophobicContact CG-CD2 4.48Å; F151-L176 HydrophobicContact CE1-CD2 4.27Å; F151-L176 HydrophobicContact CE2-CD1 4.48Å; F151-L176 HydrophobicContact CE2-CD2 4.01Å; F151-L176 HydrophobicContact CE2-CG 3.77Å; F151-L176 HydrophobicContact CZ-CD1 4.28Å; F151-L176 HydrophobicContact CZ-CD2 3.72Å; F151-L176 HydrophobicContact CZ-CG 3.83Å; P164-L176 CarbonylContact C-O 3.57Å; P164-L176 WeakPolarHBondContact CA-O 3.32Å; V165-L176 HydrophobicContact CB-CB 4.22Å; V165-L176 PolarHBondContact N-O 3.3Å; V165-L176 PolarHBondContact O-N 2.91Å; L176-V211 CarbonylContact C-O 3.59Å; L176-V211 WeakPolarHBondContact CA-O 3.39Å; L176-V211 HydrophobicContact CD1-CB 4.1Å; L176-V211 HydrophobicContact CD1-CG1 4Å |
| 177 | Y | 97 | Very high | 94.6 | Very high | 1 Ų | 1 | 35.7 Ų | 35.7 | 0% | 0.004 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 141.3 | 174.5 | -61.3 | -97 | 0 | 0 | 0 | 109.8 | L162 P164 A175 F198 Y199 V211 C212 T213 F235 L236 | L162-Y177 HydrophobicContact CB-CD1 4.41Å; P164-Y177 HydrophobicContact CB-CD1 3.94Å; P164-Y177 HydrophobicContact CB-CD2 4.22Å; P164-Y177 HydrophobicContact CB-CE1 3.64Å; P164-Y177 HydrophobicContact CB-CE2 3.92Å; P164-Y177 HydrophobicContact CB-CG 4.22Å; P164-Y177 HydrophobicContact CG-CD1 4.49Å; P164-Y177 HydrophobicContact CG-CE1 3.79Å; A175-Y177 HydrophobicContact CB-CE2 3.87Å; Y177-F198 AromaticContact CD1-CD1 3.95Å; Y177-F198 HydrophobicContact CD1-CD1 3.95Å; Y177-F198 HydrophobicContact CE1-CD1 4.22Å; Y177-Y199 VanDerWaalsContact CE1-O 3.28Å; Y177-Y199 WeakPolarHBondContact CE1-O 3.46Å; Y177-Y199 PolarHBondContact OH-O 3.05Å; Y177-Y199 VanDerWaalsContact OH-O 3.09Å; Y177-V211 PolarHBondContact N-O 2.91Å; Y177-C212 WeakPolarHBondContact O-CA 3.4Å; Y177-T213 PolarHBondContact O-N 2.84Å; Y177-F235 HydrophobicContact CE1-CZ 4.36Å; Y177-F235 AromaticContact CE2-CE2 3.91Å; Y177-F235 HydrophobicContact CE2-CE2 3.91Å; Y177-F235 HydrophobicContact CE2-CZ 4.34Å; Y177-F235 AromaticContact CZ-CE2 3.82Å; Y177-F235 AromaticContact CZ-CZ 3.95Å; Y177-L236 HydrophobicContact CD2-CD2 4.11Å; Y177-L236 HydrophobicContact CE2-CD2 4.32Å |
| 178 | G | 96 | Very high | 94.5 | Very high | 3 Ų | 3 | 36.4 Ų | 36.4 | 3% | 0.031 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 125.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | G152 L162 | G152-G178 WeakPolarHBondContact CA-O 3.25Å; L162-G178 WeakPolarHBondContact CD2-O 3.49Å |
| 179 | L | 95.5 | Very high | 94.5 | Very high | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 95.8 | 172 | -176.6 | 74.5 | 0 | 0 | 0 | 108.4 | I123 F154 I160 L162 L187 T213 V214 L227 | I123-L179 WeakPolarHBondContact CD1-O 3.46Å; F154-L179 HydrophobicContact CE2-CD1 3.79Å; F154-L179 HydrophobicContact CZ-CD1 3.75Å; I160-L179 HydrophobicContact CD1-CD1 4.48Å; I160-L179 HydrophobicContact CG2-CD1 3.94Å; L162-L179 HydrophobicContact CD1-CD1 4.38Å; L162-L179 HydrophobicContact CD2-CB 4.38Å; L162-L179 HydrophobicContact CD2-CD1 4.07Å; L179-L187 HydrophobicContact CD1-CD1 4.48Å; L179-L187 HydrophobicContact CD2-CD1 4.39Å; L179-L187 HydrophobicContact CD2-CD2 3.93Å; L179-T213 PolarHBondContact N-O 3.42Å; L179-V214 HydrophobicContact CB-CG1 4.1Å; L179-V214 HydrophobicContact CD2-CG1 4.15Å; L179-L227 HydrophobicContact CD2-CD2 4.48Å |
| 180 | G | 94.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 19% | 0.186 | C | C | . | . | trans | -57.7 | 156.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | H124 G152 V182 | H124-G180 WeakPolarHBondContact O-CA 3.47Å; G152-G180 PolarHBondContact O-N 3.27Å; G152-G180 VanDerWaalsContact O-N 3.08Å; G180-V182 PolarHBondContact O-N 3.15Å | ||
| 181 | S | 95.2 | Very high | 94.6 | Very high | 19 Ų | 19 | 37.8 Ų | 37.8 | 13% | 0.133 | 17% | 0.165 | C | C | . | . | trans | -60.5 | 126.7 | -174.6 | -171.6 | 0 | 0 | 0 | 0 | 112.2 | H124 G125 H215 | H124-S181 PolarHBondContact CE1-N 3Å; H124-S181 PolarHBondContact CE1-O 3.17Å; H124-S181 VanDerWaalsContact CE1-O 3.31Å; H124-S181 PolarHBondContact ND1-N 3.5Å; H124-S181 PolarHBondContact O-N 3.12Å; G125-S181 VanDerWaalsContact O-CB 3.28Å; G125-S181 WeakPolarHBondContact O-CB 3.29Å; S181-H215 PolarHBondContact OG-O 2.93Å | ||
| 182 | V | 94.2 | Very high | 94.6 | Very high | 23 Ų | 23 | 36.3 Ų | 36.3 | 14% | 0.139 | 16% | 0.156 | C | C | . | . | trans | -121.4 | 143.8 | 169.9 | 179.2 | 0 | 0 | 0 | 0 | 107.5 | F154 I160 G180 E184 R186 L187 Q216 | F154-V182 HydrophobicContact CD2-CG2 4.47Å; I160-V182 HydrophobicContact CD1-CG2 4.06Å; G180-V182 PolarHBondContact O-N 3.15Å; V182-E184 PolarHBondContact O-N 3.14Å; V182-R186 HydrophobicContact CG1-CB 4.41Å; V182-R186 HydrophobicContact CG1-CG 4.29Å; V182-L187 HydrophobicContact CB-CB 4.25Å; V182-L187 HydrophobicContact CB-CD1 4.43Å; V182-L187 HydrophobicContact CG1-CB 4.12Å; V182-Q216 PolarHBondContact O-NE2 3.43Å; V182-Q216 PolarHBondContact O-OE1 2.86Å | ||
| 183 | R | 92.9 | Very high | 94.6 | Very high | 179 Ų | 179 | 41.7 Ų | 41.7 | 68% | 0.675 | 19% | 0.185 | S | C | * | . | trans | -51.1 | 131.3 | 174.3 | -67.1 | -175.9 | -177.4 | 163.7 | 1.4 | 111.1 | E185 R186 L187 | R183-E185 PolarHBondContact O-N 2.97Å; R183-R186 HydrophobicContact CB-CB 4.42Å; R183-R186 WeakPolarHBondContact O-CA 3.29Å; R183-R186 WeakPolarHBondContact O-CB 3.38Å; R183-R186 PolarHBondContact O-N 3.11Å; R183-L187 PolarHBondContact O-N 2.93Å | ||
| 184 | E | 92.5 | Very high | 94.4 | Very high | 29 Ų | 29 | 41.3 Ų | 41.3 | 14% | 0.136 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.2 | -47.8 | -167 | -71.4 | 72.8 | -173.5 | 0 | 0 | 111.9 | V182 R186 L187 H188 N217 | V182-E184 PolarHBondContact O-N 3.14Å; E184-R186 PolarHBondContact O-N 3Å; E184-L187 PolarHBondContact O-N 2.98Å; E184-H188 VanDerWaalsContact O-CB 3.27Å; E184-H188 WeakPolarHBondContact O-CB 3.39Å; E184-H188 PolarHBondContact O-N 2.77Å; E184-N217 VanDerWaalsContact CD-ND2 3.3Å; E184-N217 HydrophobicContact CG-CB 3.98Å; E184-N217 PolarHBondContact OE1-ND2 2.88Å |
| 185 | E | 92 | Very high | 94.3 | Very high | 83 Ų | 83 | 42.6 Ų | 42.6 | 39% | 0.388 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -65 | -30 | -179.2 | -62.6 | 77.1 | -165.5 | 0 | 0 | 111.9 | R183 R189 S225 | R183-E185 PolarHBondContact O-N 2.97Å; E185-R189 WeakPolarHBondContact O-CG 3.38Å; E185-R189 PolarHBondContact O-N 2.73Å; E185-R189 PolarHBondContact O-NE 2.86Å; E185-S225 VanDerWaalsContact OE1-CB 3.31Å; E185-S225 WeakPolarHBondContact OE1-CB 3.3Å; E185-S225 PolarHBondContact OE1-OG 3.18Å |
| 186 | R | 93.5 | Very high | 94.2 | Very high | 95 Ų | 95 | 42.6 Ų | 42.6 | 36% | 0.358 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -72.9 | -51.9 | 173.9 | 177.1 | 179.4 | -75.4 | 162.1 | -6.9 | 109.6 | V182 R183 E184 H188 R189 L190 | V182-R186 HydrophobicContact CG1-CB 4.41Å; V182-R186 HydrophobicContact CG1-CG 4.29Å; R183-R186 HydrophobicContact CB-CB 4.42Å; R183-R186 WeakPolarHBondContact O-CA 3.29Å; R183-R186 WeakPolarHBondContact O-CB 3.38Å; R183-R186 PolarHBondContact O-N 3.11Å; E184-R186 PolarHBondContact O-N 3Å; R186-H188 VanDerWaalsContact C-N 3.28Å; R186-H188 PolarHBondContact O-N 3.13Å; R186-R189 WeakPolarHBondContact O-CB 3.44Å; R186-R189 PolarHBondContact O-N 3.03Å; R186-R189 VanDerWaalsContact O-N 3.07Å; R186-L190 HydrophobicContact CG-CD1 4.05Å; R186-L190 HydrophobicContact CG-CG 4.28Å; R186-L190 WeakPolarHBondContact O-CG 3.32Å; R186-L190 PolarHBondContact O-N 2.99Å |
| 187 | L | 94.5 | Very high | 94 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -58.2 | -43.5 | -178.8 | -174.9 | 64.5 | 0 | 0 | 0 | 111.4 | I160 L179 V182 R183 E184 R189 L190 F191 Q216 L227 | I160-L187 HydrophobicContact CD1-CD1 3.76Å; L179-L187 HydrophobicContact CD1-CD1 4.48Å; L179-L187 HydrophobicContact CD2-CD1 4.39Å; L179-L187 HydrophobicContact CD2-CD2 3.93Å; V182-L187 HydrophobicContact CB-CB 4.25Å; V182-L187 HydrophobicContact CB-CD1 4.43Å; V182-L187 HydrophobicContact CG1-CB 4.12Å; R183-L187 PolarHBondContact O-N 2.93Å; E184-L187 PolarHBondContact O-N 2.98Å; L187-R189 VanDerWaalsContact C-N 3.32Å; L187-R189 PolarHBondContact O-N 3.13Å; L187-L190 WeakPolarHBondContact O-CB 3.49Å; L187-L190 PolarHBondContact O-N 3.18Å; L187-L190 VanDerWaalsContact O-N 3.11Å; L187-F191 HydrophobicContact CD1-CD2 3.94Å; L187-F191 HydrophobicContact CD1-CE2 3.63Å; L187-F191 HydrophobicContact CD2-CE2 4.15Å; L187-F191 HydrophobicContact CG-CD2 3.86Å; L187-F191 HydrophobicContact CG-CE2 3.74Å; L187-F191 WeakPolarHBondContact O-CD2 3.49Å; L187-F191 PolarHBondContact O-N 2.7Å; L187-Q216 HydrophobicContact CD2-CG 3.6Å; L187-L227 HydrophobicContact CD2-CD1 4.25Å; L187-L227 HydrophobicContact CD2-CD2 4.21Å |
| 188 | H | 93.6 | Very high | 93.9 | Very high | 17 Ų | 17 | 42.5 Ų | 42.5 | 8% | 0.079 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -57.1 | -44.4 | 175.6 | -169.2 | -72.8 | 0 | 0 | 0 | 111.6 | E184 R186 L192 F231 | E184-H188 VanDerWaalsContact O-CB 3.27Å; E184-H188 WeakPolarHBondContact O-CB 3.39Å; E184-H188 PolarHBondContact O-N 2.77Å; R186-H188 VanDerWaalsContact C-N 3.28Å; R186-H188 PolarHBondContact O-N 3.13Å; H188-L192 WeakPolarHBondContact O-CG 3.43Å; H188-L192 PolarHBondContact O-N 2.62Å; H188-L192 VanDerWaalsContact O-N 3.11Å; H188-F231 AromaticContact CD2-CE2 3.79Å; H188-F231 AromaticContact CE1-CE2 3.93Å; H188-F231 AromaticContact CE1-CZ 3.87Å; H188-F231 AromaticContact NE2-CE2 3.7Å; H188-F231 AromaticContact NE2-CZ 3.71Å |
| 189 | R | 93.9 | Very high | 93.8 | Very high | 151 Ų | 151 | 44.5 Ų | 44.5 | 57% | 0.57 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -64.8 | -40.3 | 174.3 | -74 | -175.1 | -62.1 | 161.8 | 1 | 112.7 | E185 R186 L187 F191 L192 N193 | E185-R189 WeakPolarHBondContact O-CG 3.38Å; E185-R189 PolarHBondContact O-N 2.73Å; E185-R189 PolarHBondContact O-NE 2.86Å; R186-R189 WeakPolarHBondContact O-CB 3.44Å; R186-R189 PolarHBondContact O-N 3.03Å; R186-R189 VanDerWaalsContact O-N 3.07Å; L187-R189 VanDerWaalsContact C-N 3.32Å; L187-R189 PolarHBondContact O-N 3.13Å; R189-F191 PolarHBondContact O-N 2.77Å; R189-L192 PolarHBondContact O-N 2.91Å; R189-N193 WeakPolarHBondContact O-CB 3.2Å; R189-N193 VanDerWaalsContact O-CG 3.24Å; R189-N193 PolarHBondContact O-N 3.48Å |
| 190 | L | 94.6 | Very high | 93.6 | Very high | 13 Ų | 13 | 46.7 Ų | 46.7 | 7% | 0.068 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.9 | -41.3 | 178.9 | -67.6 | 176.3 | 0 | 0 | 0 | 111.8 | E158 I160 R186 L187 N193 N194 S195 V196 | E158-L190 WeakPolarHBondContact O-CD2 3.27Å; I160-L190 HydrophobicContact CD1-CD1 3.54Å; I160-L190 HydrophobicContact CG1-CD1 3.99Å; R186-L190 HydrophobicContact CG-CD1 4.05Å; R186-L190 HydrophobicContact CG-CG 4.28Å; R186-L190 WeakPolarHBondContact O-CG 3.32Å; R186-L190 PolarHBondContact O-N 2.99Å; L187-L190 WeakPolarHBondContact O-CB 3.49Å; L187-L190 PolarHBondContact O-N 3.18Å; L187-L190 VanDerWaalsContact O-N 3.11Å; L190-N193 PolarHBondContact O-N 2.87Å; L190-N194 PolarHBondContact O-N 2.99Å; L190-S195 PolarHBondContact O-N 3.49Å; L190-V196 HydrophobicContact CB-CG2 3.9Å |
| 191 | F | 94.2 | Very high | 93.4 | Very high | 3 Ų | 3 | 47.4 Ų | 47.4 | 1% | 0.013 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65.1 | -42.9 | 173.3 | -86 | -75.6 | 0 | 0 | 0 | 112.4 | L187 R189 N193 N194 V196 F198 L227 F231 L232 | L187-F191 HydrophobicContact CD1-CD2 3.94Å; L187-F191 HydrophobicContact CD1-CE2 3.63Å; L187-F191 HydrophobicContact CD2-CE2 4.15Å; L187-F191 HydrophobicContact CG-CD2 3.86Å; L187-F191 HydrophobicContact CG-CE2 3.74Å; L187-F191 WeakPolarHBondContact O-CD2 3.49Å; L187-F191 PolarHBondContact O-N 2.7Å; R189-F191 PolarHBondContact O-N 2.77Å; F191-N193 VanDerWaalsContact C-N 3.28Å; F191-N193 PolarHBondContact O-N 3.4Å; F191-N194 PolarHBondContact O-N 2.88Å; F191-N194 VanDerWaalsContact O-N 3.16Å; F191-V196 HydrophobicContact CD1-CB 4.18Å; F191-V196 HydrophobicContact CD1-CG2 4.16Å; F191-V196 HydrophobicContact CD2-CG2 4.1Å; F191-V196 HydrophobicContact CE1-CB 4.02Å; F191-V196 HydrophobicContact CE1-CG1 3.96Å; F191-V196 HydrophobicContact CE1-CG2 4.24Å; F191-V196 HydrophobicContact CE2-CG2 4.17Å; F191-V196 HydrophobicContact CG-CG2 4.1Å; F191-V196 HydrophobicContact CZ-CB 4.3Å; F191-V196 HydrophobicContact CZ-CG1 3.93Å; F191-V196 HydrophobicContact CZ-CG2 4.23Å; F191-F198 HydrophobicContact CE1-CE2 4.26Å; F191-L227 HydrophobicContact CD2-CD1 3.66Å; F191-L227 HydrophobicContact CE2-CD1 3.5Å; F191-L227 VanDerWaalsContact CE2-CD1 3.5Å; F191-L227 HydrophobicContact CZ-CD1 4.24Å; F191-F231 HydrophobicContact CB-CB 4.31Å; F191-F231 HydrophobicContact CB-CD2 3.35Å; F191-F231 HydrophobicContact CB-CE2 3.86Å; F191-F231 HydrophobicContact CB-CG 4.08Å; F191-F231 HydrophobicContact CD1-CB 3.9Å; F191-F231 HydrophobicContact CD1-CD2 4.47Å; F191-F231 HydrophobicContact CD2-CD2 4.23Å; F191-F231 HydrophobicContact CE1-CB 4.35Å; F191-F231 HydrophobicContact CG-CB 4.03Å; F191-F231 AromaticContact CG-CD2 3.8Å; F191-F231 HydrophobicContact CG-CD2 3.8Å; F191-F231 HydrophobicContact CG-CG 4.32Å; F191-L232 HydrophobicContact CZ-CD2 4.14Å |
| 192 | L | 92.8 | Very high | 93 | Very high | 80 Ų | 80 | 48.8 Ų | 48.8 | 42% | 0.419 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -61.8 | -36.8 | 176.2 | -71.8 | 179.3 | 0 | 0 | 0 | 112.5 | H188 R189 N194 F231 P650 | H188-L192 WeakPolarHBondContact O-CG 3.43Å; H188-L192 PolarHBondContact O-N 2.62Å; H188-L192 VanDerWaalsContact O-N 3.11Å; R189-L192 PolarHBondContact O-N 2.91Å; L192-N194 VanDerWaalsContact C-N 3.26Å; L192-N194 PolarHBondContact O-N 3.41Å; L192-F231 HydrophobicContact CD2-CE1 4.41Å; L192-F231 HydrophobicContact CD2-CE2 4.32Å; L192-F231 HydrophobicContact CD2-CZ 3.69Å; L192-F231 HydrophobicContact CG-CE2 4.37Å; L192-F231 HydrophobicContact CG-CZ 4.2Å; L192-P650 HydrophobicContact CD2-CG 4.18Å |
| 193 | N | 93.9 | Very high | 92.5 | Very high | 114 Ų | 114 | 53.2 Ų | 53.2 | 61% | 0.61 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | 0 | 179.1 | -67.4 | -9.4 | 0 | 0 | 0 | 113.4 | R189 L190 F191 S195 | R189-N193 WeakPolarHBondContact O-CB 3.2Å; R189-N193 VanDerWaalsContact O-CG 3.24Å; R189-N193 PolarHBondContact O-N 3.48Å; L190-N193 PolarHBondContact O-N 2.87Å; F191-N193 VanDerWaalsContact C-N 3.28Å; F191-N193 PolarHBondContact O-N 3.4Å; N193-S195 PolarHBondContact O-N 2.94Å |
| 194 | N | 92.1 | Very high | 92 | Very high | 50 Ų | 50 | 47.1 Ų | 47.1 | 27% | 0.267 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.7 | 32.7 | -172.9 | -53 | -55.6 | 0 | 0 | 0 | 113.6 | L190 F191 L192 V196 S651 | L190-N194 PolarHBondContact O-N 2.99Å; F191-N194 PolarHBondContact O-N 2.88Å; F191-N194 VanDerWaalsContact O-N 3.16Å; L192-N194 VanDerWaalsContact C-N 3.26Å; L192-N194 PolarHBondContact O-N 3.41Å; N194-V196 VanDerWaalsContact C-N 3.26Å; N194-S651 PolarHBondContact OD1-O 3.45Å |
| 195 | S | 93.2 | Very high | 91.5 | Very high | 31 Ų | 31 | 47.8 Ų | 47.8 | 22% | 0.217 | 23% | 0.233 | C | C | . | . | trans | -88 | 7.3 | 177.9 | -51.5 | 0 | 0 | 0 | 0 | 112.9 | E158 R159 I160 L190 N193 | E158-S195 WeakPolarHBondContact O-CB 2.96Å; R159-S195 WeakPolarHBondContact CA-O 3.24Å; I160-S195 PolarHBondContact N-O 3.1Å; L190-S195 PolarHBondContact O-N 3.49Å; N193-S195 PolarHBondContact O-N 2.94Å | ||
| 196 | V | 94.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 115.1 | 175.2 | -172.7 | 0 | 0 | 0 | 0 | 109 | I160 L162 L190 F191 N194 F198 | I160-V196 HydrophobicContact CB-CG1 4.26Å; I160-V196 HydrophobicContact CB-CG2 4.27Å; I160-V196 HydrophobicContact CG2-CG1 4.21Å; I160-V196 CarbonylContact O-C 3.57Å; I160-V196 VanDerWaalsContact O-CA 3.29Å; I160-V196 WeakPolarHBondContact O-CA 3.23Å; L162-V196 HydrophobicContact CD1-CG1 4.06Å; L190-V196 HydrophobicContact CB-CG2 3.9Å; F191-V196 HydrophobicContact CD1-CB 4.18Å; F191-V196 HydrophobicContact CD1-CG2 4.16Å; F191-V196 HydrophobicContact CD2-CG2 4.1Å; F191-V196 HydrophobicContact CE1-CB 4.02Å; F191-V196 HydrophobicContact CE1-CG1 3.96Å; F191-V196 HydrophobicContact CE1-CG2 4.24Å; F191-V196 HydrophobicContact CE2-CG2 4.17Å; F191-V196 HydrophobicContact CG-CG2 4.1Å; F191-V196 HydrophobicContact CZ-CB 4.3Å; F191-V196 HydrophobicContact CZ-CG1 3.93Å; F191-V196 HydrophobicContact CZ-CG2 4.23Å; N194-V196 VanDerWaalsContact C-N 3.26Å; V196-F198 HydrophobicContact CG1-CD2 4.4Å; V196-F198 HydrophobicContact CG1-CE2 3.87Å |
| 197 | T | 94 | Very high | 91 | Very high | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.006 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 131.8 | -177.9 | -44.6 | 0 | 0 | 0 | 0 | 110.1 | R159 I160 D161 L162 Y199 I655 | R159-T197 PolarHBondContact NH2-OG1 2.83Å; I160-T197 PolarHBondContact O-N 2.97Å; D161-T197 VanDerWaalsContact OD1-CB 3.26Å; D161-T197 WeakPolarHBondContact OD1-CB 3.36Å; D161-T197 PolarHBondContact OD1-OG1 3.37Å; D161-T197 VanDerWaalsContact OD1-OG1 3.07Å; L162-T197 PolarHBondContact N-O 3.29Å; T197-Y199 HydrophobicContact CG2-CE2 4.46Å; T197-I655 HydrophobicContact CG2-CD1 4.34Å; T197-I655 HydrophobicContact CG2-CG1 4.39Å |
| 198 | F | 94.5 | Very high | 91 | Very high | 1 Ų | 1 | 48 Ų | 48 | 0% | 0.004 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 115.4 | 172.1 | -72.4 | -106.1 | 0 | 0 | 0 | 109.4 | L162 Y177 F191 V196 L232 P233 F235 | L162-F198 HydrophobicContact CB-CD1 4.22Å; L162-F198 HydrophobicContact CB-CG 4.49Å; L162-F198 HydrophobicContact CD1-CD1 3.73Å; L162-F198 HydrophobicContact CD1-CD2 4.08Å; L162-F198 HydrophobicContact CD1-CE1 3.3Å; L162-F198 HydrophobicContact CD1-CE2 3.68Å; L162-F198 HydrophobicContact CD1-CG 4.11Å; L162-F198 HydrophobicContact CD1-CZ 3.27Å; Y177-F198 AromaticContact CD1-CD1 3.95Å; Y177-F198 HydrophobicContact CD1-CD1 3.95Å; Y177-F198 HydrophobicContact CE1-CD1 4.22Å; F191-F198 HydrophobicContact CE1-CE2 4.26Å; V196-F198 HydrophobicContact CG1-CD2 4.4Å; V196-F198 HydrophobicContact CG1-CE2 3.87Å; F198-L232 HydrophobicContact CZ-CD2 4.26Å; F198-P233 HydrophobicContact CD1-CG 4.19Å; F198-P233 HydrophobicContact CD2-CG 3.58Å; F198-P233 HydrophobicContact CE1-CG 4.25Å; F198-P233 HydrophobicContact CE2-CG 3.66Å; F198-P233 HydrophobicContact CG-CG 3.86Å; F198-P233 HydrophobicContact CZ-CG 4Å; F198-F235 HydrophobicContact CB-CE1 4.02Å; F198-F235 HydrophobicContact CB-CZ 4.03Å; F198-F235 HydrophobicContact CD1-CZ 4.14Å; F198-F235 HydrophobicContact CG-CE1 4.38Å; F198-F235 HydrophobicContact CG-CZ 4.38Å |
| 199 | Y | 93 | Very high | 91.1 | Very high | 45 Ų | 45 | 47.3 Ų | 47.3 | 18% | 0.176 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 131.9 | 174.4 | -74.5 | -82.4 | 0 | 0 | 0 | 110.3 | D161 L162 P164 Y177 T197 I655 Q657 | D161-Y199 HydrophobicContact CB-CE2 3.84Å; L162-Y199 PolarHBondContact O-N 3.49Å; P164-Y199 VanDerWaalsContact CD-O 3.31Å; P164-Y199 WeakPolarHBondContact CD-O 3.48Å; Y177-Y199 VanDerWaalsContact CE1-O 3.28Å; Y177-Y199 WeakPolarHBondContact CE1-O 3.46Å; Y177-Y199 PolarHBondContact OH-O 3.05Å; Y177-Y199 VanDerWaalsContact OH-O 3.09Å; T197-Y199 HydrophobicContact CG2-CE2 4.46Å; Y199-I655 HydrophobicContact CD1-CB 4.4Å; Y199-I655 HydrophobicContact CE1-CB 4.21Å; Y199-I655 HydrophobicContact CE1-CG2 4.24Å; Y199-Q657 HydrophobicContact CD1-CG 4.42Å |
| 200 | R | 91.6 | Very high | 91.2 | Very high | 47 Ų | 47 | 40.3 Ų | 40.3 | 18% | 0.177 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 143.1 | 176.8 | -67.7 | -170.8 | 69.4 | -165.6 | 1.5 | 111.1 | T202 V205 F235 L654 I655 L656 Q657 | R200-T202 PolarHBondContact O-N 3.45Å; R200-V205 PolarHBondContact NH2-O 2.76Å; R200-F235 HydrophobicContact CG-CE1 4.39Å; R200-F235 HydrophobicContact CG-CE2 4.28Å; R200-F235 HydrophobicContact CG-CZ 4.14Å; R200-L654 HydrophobicContact CG-CD2 4.25Å; R200-I655 PolarHBondContact N-O 3.43Å; R200-L656 HydrophobicContact CB-CD2 4.07Å; R200-Q657 PolarHBondContact O-N 2.88Å |
| 201 | P | 90.3 | Very high | 91.3 | Very high | 14 Ų | 14 | 39.8 Ų | 39.8 | 9% | 0.091 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 136.2 | 170.9 | 26.6 | -33 | 0 | 0 | 0 | 109.6 | L166 V205 W208 | L166-P201 HydrophobicContact CD1-CB 4.15Å; L166-P201 HydrophobicContact CD2-CB 4.23Å; L166-P201 HydrophobicContact CD2-CG 4.15Å; P201-V205 WeakPolarHBondContact O-CG2 3.41Å; P201-W208 HydrophobicContact CB-CZ2 4.45Å; P201-W208 VanDerWaalsContact CG-CD1 3.41Å; P201-W208 HydrophobicContact CG-CD2 4.08Å; P201-W208 HydrophobicContact CG-CG 3.83Å |
| 202 | T | 86.2 | Confident | 91.5 | Very high | 49 Ų | 49 | 39.7 Ų | 39.7 | 30% | 0.301 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -75.8 | -35.6 | 175.5 | 38.2 | 0 | 0 | 0 | 0 | 112.5 | R200 V205 L656 Q657 T658 | R200-T202 PolarHBondContact O-N 3.45Å; T202-V205 WeakPolarHBondContact O-CG2 3.34Å; T202-L656 HydrophobicContact CG2-CB 3.71Å; T202-Q657 WeakPolarHBondContact CB-O 3.46Å; T202-Q657 WeakPolarHBondContact CG2-O 3.16Å; T202-Q657 PolarHBondContact OG1-O 2.98Å; T202-T658 HydrophobicContact CG2-CG2 3.92Å |
| 203 | E | 85.7 | Confident | 91.7 | Very high | 115 Ų | 115 | 35.9 Ų | 35.9 | 54% | 0.537 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | 134.7 | -179.3 | -63.4 | 177.4 | -164.3 | 0 | 0 | 111 | V205 W208 | E203-V205 PolarHBondContact O-N 3.42Å; E203-V205 VanDerWaalsContact O-N 3.16Å; E203-W208 PolarHBondContact O-NE1 2.85Å |
| 204 | C | 81.1 | Confident | 91.9 | Very high | 52 Ų | 52 | 30.4 Ų | 30.4 | 35% | 0.351 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.2 | 41.9 | 176.3 | -65.2 | 0 | 0 | 0 | 0 | 113.3 | R173 D206 D207 W208 | R173-C204 PolarHBondContact NH1-SG 3.42Å; C204-D206 PolarHBondContact O-N 2.99Å; C204-D207 HydrophobicContact CB-CB 4.13Å; C204-D207 WeakPolarHBondContact CB-OD2 3.45Å; C204-D207 PolarHBondContact O-N 3.27Å; C204-W208 PolarHBondContact O-NE1 3.36Å |
| 205 | V | 82.5 | Confident | 92.1 | Very high | 43 Ų | 43 | 28 Ų | 28 | 26% | 0.261 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -45.3 | -37.5 | -174.9 | -174.7 | 0 | 0 | 0 | 0 | 113.2 | R200 P201 T202 E203 | R200-V205 PolarHBondContact NH2-O 2.76Å; P201-V205 WeakPolarHBondContact O-CG2 3.41Å; T202-V205 WeakPolarHBondContact O-CG2 3.34Å; E203-V205 PolarHBondContact O-N 3.42Å; E203-V205 VanDerWaalsContact O-N 3.16Å |
| 206 | D | 84 | Confident | 92.3 | Very high | 85 Ų | 85 | 26.6 Ų | 26.6 | 46% | 0.455 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -27.8 | -179.4 | -80.1 | -37.3 | 0 | 0 | 0 | 113.3 | C204 W208 K290 R770 | C204-D206 PolarHBondContact O-N 2.99Å; D206-W208 VanDerWaalsContact C-N 3.34Å; D206-W208 PolarHBondContact O-N 2.7Å; D206-K290 WeakPolarHBondContact O-CE 3.39Å; D206-K290 PolarHBondContact O-NZ 3.06Å; D206-R770 IonicContact OD1-CZ 3.81Å; D206-R770 IonicContact OD1-NH1 2.61Å; D206-R770 PolarHBondContact OD1-NH1 2.72Å; D206-R770 IonicContact OD1-NH2 3.32Å; D206-R770 PolarHBondContact OD1-NH2 3.32Å; D206-R770 IonicContact OD2-NH1 3.59Å |
| 207 | D | 91.3 | Very high | 92.3 | Very high | 83 Ų | 83 | 27.7 Ų | 27.7 | 44% | 0.444 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -13.4 | -171.4 | -58.2 | -29.1 | 0 | 0 | 0 | 113.7 | C204 | C204-D207 HydrophobicContact CB-CB 4.13Å; C204-D207 WeakPolarHBondContact CB-OD2 3.45Å; C204-D207 PolarHBondContact O-N 3.27Å |
| 208 | W | 94 | Very high | 92.3 | Very high | 15 Ų | 15 | 29.1 Ų | 29.1 | 6% | 0.057 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 125.5 | 179.8 | -65.3 | 98.1 | 0 | 0 | 0 | 112.1 | L92 L166 R173 V174 A175 P201 E203 C204 D206 | L92-W208 HydrophobicContact CD1-CH2 3.81Å; L166-W208 HydrophobicContact CB-CH2 3.69Å; L166-W208 HydrophobicContact CB-CZ3 3.87Å; L166-W208 HydrophobicContact CD1-CH2 4.24Å; L166-W208 HydrophobicContact CD1-CZ2 4.33Å; L166-W208 HydrophobicContact CD2-CD2 4.35Å; L166-W208 HydrophobicContact CD2-CE3 4.02Å; L166-W208 HydrophobicContact CD2-CH2 3.92Å; L166-W208 HydrophobicContact CD2-CZ2 4.25Å; L166-W208 HydrophobicContact CD2-CZ3 3.8Å; L166-W208 HydrophobicContact CG-CH2 4.16Å; L166-W208 HydrophobicContact CG-CZ3 4.36Å; R173-W208 HydrophobicContact CB-CD2 3.96Å; R173-W208 HydrophobicContact CB-CE3 3.56Å; R173-W208 HydrophobicContact CB-CH2 4.26Å; R173-W208 HydrophobicContact CB-CZ3 3.73Å; V174-W208 WeakPolarHBondContact O-CZ3 3.3Å; A175-W208 HydrophobicContact CB-CB 4.32Å; A175-W208 HydrophobicContact CB-CE3 4.08Å; P201-W208 HydrophobicContact CB-CZ2 4.45Å; P201-W208 VanDerWaalsContact CG-CD1 3.41Å; P201-W208 HydrophobicContact CG-CD2 4.08Å; P201-W208 HydrophobicContact CG-CG 3.83Å; E203-W208 PolarHBondContact O-NE1 2.85Å; C204-W208 PolarHBondContact O-NE1 3.36Å; D206-W208 VanDerWaalsContact C-N 3.34Å; D206-W208 PolarHBondContact O-N 2.7Å |
| 209 | F | 96.1 | Very high | 92 | Very high | 1 Ų | 1 | 32.4 Ų | 32.4 | 0% | 0.004 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 114.9 | 163.1 | -172.8 | -99.3 | 0 | 0 | 0 | 109.5 | R173 V174 A175 V211 D237 L238 I287 E289 F292 | R173-F209 PolarHBondContact O-N 3.44Å; V174-F209 WeakPolarHBondContact CA-O 3.29Å; V174-F209 HydrophobicContact CG2-CB 4.48Å; A175-F209 PolarHBondContact N-O 2.92Å; F209-V211 HydrophobicContact CD1-CG2 3.57Å; F209-V211 HydrophobicContact CE1-CG2 3.46Å; F209-V211 VanDerWaalsContact CE1-CG2 3.46Å; F209-D237 HydrophobicContact CD2-CB 3.81Å; F209-D237 HydrophobicContact CE2-CB 3.55Å; F209-D237 HydrophobicContact CG-CB 4.47Å; F209-D237 HydrophobicContact CZ-CB 4Å; F209-L238 HydrophobicContact CE1-CB 4.12Å; F209-L238 HydrophobicContact CE1-CD2 4.4Å; F209-L238 HydrophobicContact CZ-CB 3.94Å; F209-I287 HydrophobicContact CB-CG2 4.18Å; F209-I287 HydrophobicContact CD1-CD1 3.87Å; F209-I287 HydrophobicContact CD1-CG1 4.29Å; F209-I287 HydrophobicContact CD1-CG2 3.67Å; F209-I287 HydrophobicContact CD2-CG2 4.49Å; F209-I287 HydrophobicContact CE1-CD1 3.89Å; F209-I287 HydrophobicContact CE1-CG1 4.1Å; F209-I287 HydrophobicContact CE1-CG2 4.13Å; F209-I287 HydrophobicContact CG-CG2 3.87Å; F209-E289 WeakPolarHBondContact CB-O 3.41Å; F209-F292 HydrophobicContact CE1-CB 4.42Å; F209-F292 HydrophobicContact CE2-CB 4.23Å; F209-F292 AromaticContact CE2-CD1 3.66Å; F209-F292 HydrophobicContact CE2-CD1 3.66Å; F209-F292 HydrophobicContact CE2-CE1 4.46Å; F209-F292 HydrophobicContact CE2-CG 4.25Å; F209-F292 HydrophobicContact CZ-CB 3.77Å; F209-F292 AromaticContact CZ-CD1 3.52Å; F209-F292 HydrophobicContact CZ-CD1 3.52Å; F209-F292 HydrophobicContact CZ-CE1 4.31Å; F209-F292 AromaticContact CZ-CG 3.74Å; F209-F292 HydrophobicContact CZ-CG 3.74Å |
| 210 | S | 95.8 | Very high | 91.7 | Very high | 4 Ų | 4 | 36.5 Ų | 36.5 | 3% | 0.028 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 111.6 | -172.3 | -61.4 | 0 | 0 | 0 | 0 | 111.1 | A175 D237 L238 | A175-S210 WeakPolarHBondContact O-CA 3.38Å; S210-D237 PolarHBondContact N-OD2 3.2Å; S210-D237 PolarHBondContact O-N 3.06Å; S210-L238 PolarHBondContact O-N 3.05Å |
| 211 | V | 97.1 | Very high | 91.3 | Very high | 3 Ų | 3 | 40.6 Ų | 40.6 | 2% | 0.018 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 127.2 | 176.8 | -177 | 0 | 0 | 0 | 0 | 109.1 | V174 A175 L176 Y177 F209 L238 I240 I287 | V174-V211 HydrophobicContact CG1-CG2 4.12Å; A175-V211 PolarHBondContact O-N 2.79Å; L176-V211 CarbonylContact C-O 3.59Å; L176-V211 WeakPolarHBondContact CA-O 3.39Å; L176-V211 HydrophobicContact CD1-CB 4.1Å; L176-V211 HydrophobicContact CD1-CG1 4Å; Y177-V211 PolarHBondContact N-O 2.91Å; F209-V211 HydrophobicContact CD1-CG2 3.57Å; F209-V211 HydrophobicContact CE1-CG2 3.46Å; F209-V211 VanDerWaalsContact CE1-CG2 3.46Å; V211-L238 CarbonylContact C-O 3.52Å; V211-L238 VanDerWaalsContact CA-O 3.32Å; V211-L238 WeakPolarHBondContact CA-O 3.28Å; V211-L238 HydrophobicContact CG2-CB 4.5Å; V211-I240 HydrophobicContact CG1-CG1 4.1Å; V211-I287 HydrophobicContact CG2-CD1 4.23Å |
| 212 | C | 97.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 127 | 174.8 | -170.7 | 0 | 0 | 0 | 0 | 110.5 | Y177 L236 L238 I239 I240 | Y177-C212 WeakPolarHBondContact O-CA 3.4Å; C212-L236 HydrophobicContact CB-CD1 3.78Å; C212-L236 HydrophobicContact CB-CD2 4Å; C212-L236 HydrophobicContact CB-CG 4.48Å; C212-L238 PolarHBondContact N-O 3.19Å; C212-I239 HydrophobicContact CB-CG1 4.34Å; C212-I239 CarbonylContact O-C 3.24Å; C212-I239 VanDerWaalsContact O-CA 3.27Å; C212-I239 WeakPolarHBondContact O-CA 3.49Å; C212-I240 PolarHBondContact O-N 3.25Å |
| 213 | T | 97.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 125.4 | 175.8 | -48.6 | 0 | 0 | 0 | 0 | 108.8 | A56 I123 Y177 L179 I240 | A56-T213 HydrophobicContact CB-CG2 3.26Å; I123-T213 HydrophobicContact CD1-CG2 3.72Å; I123-T213 HydrophobicContact CG1-CG2 4.09Å; Y177-T213 PolarHBondContact O-N 2.84Å; L179-T213 PolarHBondContact N-O 3.42Å; T213-I240 WeakPolarHBondContact CA-O 3.28Å; T213-I240 HydrophobicContact CG2-CB 4.28Å; T213-I240 HydrophobicContact CG2-CG2 4.32Å |
| 214 | V | 97.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 147.2 | -177.1 | -56.5 | 0 | 0 | 0 | 0 | 110.4 | L179 I239 I240 W241 G242 | L179-V214 HydrophobicContact CB-CG1 4.1Å; L179-V214 HydrophobicContact CD2-CG1 4.15Å; V214-I239 HydrophobicContact CG2-CG2 4.04Å; V214-I240 PolarHBondContact N-O 2.69Å; V214-W241 HydrophobicContact CG2-CB 4.46Å; V214-W241 HydrophobicContact CG2-CD2 3.7Å; V214-W241 HydrophobicContact CG2-CE3 3.99Å; V214-W241 HydrophobicContact CG2-CG 3.94Å; V214-W241 HydrophobicContact CG2-CZ3 4.5Å; V214-G242 PolarHBondContact O-N 3.37Å |
| 215 | H | 97.4 | Very high | 92 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 82.2 | 176.5 | -162.9 | 97.7 | 0 | 0 | 0 | 110.4 | D18 A56 G57 D58 I123 G125 N126 S181 H243 | D18-H215 IonicContact OD1-CE1 2.99Å; D18-H215 PolarHBondContact OD1-CE1 3.11Å; D18-H215 VanDerWaalsContact OD1-CE1 3.24Å; D18-H215 IonicContact OD1-NE2 3.7Å; D18-H215 IonicContact OD2-CE1 3.9Å; A56-H215 PolarHBondContact O-ND1 3.19Å; G57-H215 WeakPolarHBondContact CA-ND1 3.39Å; D58-H215 IonicContact OD1-CE1 2.77Å; D58-H215 IonicContact OD1-NE2 3.11Å; D58-H215 IonicContact OD2-CE1 3.13Å; D58-H215 IonicContact OD2-NE2 3.11Å; I123-H215 HydrophobicContact CD1-CB 3.91Å; G125-H215 WeakPolarHBondContact CA-CD2 3.39Å; N126-H215 PolarHBondContact OD1-CD2 2.8Å; N126-H215 PolarHBondContact OD1-NE2 2.88Å; S181-H215 PolarHBondContact OG-O 2.93Å; H215-H243 AromaticContact CD2-ND1 3.74Å; H215-H243 PolarHBondContact CE1-N 3.44Å; H215-H243 PolarHBondContact ND1-N 3.32Å; H215-H243 WeakPolarHBondContact NE2-CA 3.42Å; H215-H243 AromaticContact NE2-CG 4Å; H215-H243 AromaticContact NE2-ND1 3.57Å |
| 216 | Q | 96 | Very high | 92.5 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -148.4 | 154.1 | -169.8 | -67.4 | -64.3 | -60.9 | 0 | 0 | 111.3 | V182 L187 R218 L227 W241 | V182-Q216 PolarHBondContact O-NE2 3.43Å; V182-Q216 PolarHBondContact O-OE1 2.86Å; L187-Q216 HydrophobicContact CD2-CG 3.6Å; Q216-R218 PolarHBondContact O-N 2.87Å; Q216-L227 HydrophobicContact CB-CB 4.02Å; Q216-L227 HydrophobicContact CB-CD2 4.37Å; Q216-L227 HydrophobicContact CG-CB 4.4Å; Q216-L227 HydrophobicContact CG-CD2 4.18Å; Q216-W241 PolarHBondContact O-NE1 3.37Å |
| 217 | N | 96.1 | Very high | 93 | Very high | 24 Ų | 24 | 36 Ų | 36 | 13% | 0.128 | 20% | 0.196 | C | C | . | . | trans | -55.6 | 125.3 | 167.9 | -79.9 | -63.2 | 0 | 0 | 0 | 111.9 | E184 Y226 L227 H243 | E184-N217 VanDerWaalsContact CD-ND2 3.3Å; E184-N217 HydrophobicContact CG-CB 3.98Å; E184-N217 PolarHBondContact OE1-ND2 2.88Å; N217-Y226 WeakPolarHBondContact O-CA 3.43Å; N217-L227 PolarHBondContact O-N 3.38Å; N217-H243 VanDerWaalsContact CG-NE2 3.26Å; N217-H243 PolarHBondContact N-CD2 3Å; N217-H243 PolarHBondContact ND2-NE2 3.05Å; N217-H243 VanDerWaalsContact ND2-NE2 3.17Å; N217-H243 PolarHBondContact OD1-CD2 2.9Å; N217-H243 VanDerWaalsContact OD1-CD2 3.32Å; N217-H243 PolarHBondContact OD1-NE2 2.86Å | ||
| 218 | R | 93.6 | Very high | 93.1 | Very high | 31 Ų | 31 | 32.7 Ų | 32.7 | 12% | 0.117 | 18% | 0.179 | C | C | . | . | trans | -93.6 | -36 | 171.5 | -162.9 | 176.9 | 175.9 | -159.5 | -2.6 | 110.7 | Q216 E229 W241 E244 E252 Q263 | Q216-R218 PolarHBondContact O-N 2.87Å; R218-E229 IonicContact CZ-OE1 2.72Å; R218-E229 VanDerWaalsContact CZ-OE1 3.24Å; R218-E229 IonicContact NE-OE1 3.6Å; R218-E229 PolarHBondContact NE-OE1 2.72Å; R218-E229 IonicContact NH2-OE1 3.83Å; R218-E229 PolarHBondContact NH2-OE1 3.33Å; R218-W241 HydrophobicContact CB-CD2 4.47Å; R218-W241 HydrophobicContact CB-CZ2 3.98Å; R218-W241 HydrophobicContact CG-CD2 4.23Å; R218-W241 HydrophobicContact CG-CH2 4.38Å; R218-W241 HydrophobicContact CG-CZ2 3.88Å; R218-E244 WeakPolarHBondContact CA-OE1 3.35Å; R218-E244 HydrophobicContact CB-CG 3.67Å; R218-E244 PolarHBondContact N-OE1 3.47Å; R218-E252 IonicContact CZ-OE2 3.29Å; R218-E252 IonicContact NH1-OE2 3.27Å; R218-E252 PolarHBondContact NH1-OE2 2.95Å; R218-E252 IonicContact NH2-OE2 3.77Å; R218-E252 PolarHBondContact NH2-OE2 3.04Å; R218-Q263 VanDerWaalsContact CD-OE1 3.26Å | ||
| 219 | V | 87.6 | Confident | 93.1 | Very high | 70 Ų | 70 | 33.9 Ų | 33.9 | 42% | 0.424 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -79.6 | 143.8 | -179.1 | -177.7 | 0 | 0 | 0 | 0 | 111.1 | H221 Y226 E244 | V219-H221 PolarHBondContact O-N 2.96Å; V219-H221 VanDerWaalsContact O-N 3.12Å; V219-Y226 WeakPolarHBondContact O-CB 3.25Å; V219-E244 PolarHBondContact N-OE1 2.84Å |
| 220 | H | 86.5 | Confident | 92.9 | Very high | 130 Ų | 130 | 37.2 Ų | 37.2 | 60% | 0.602 | 20% | 0.203 | S | C | * | . | trans | -72.7 | 101.3 | 176.4 | -58.2 | -87 | 0 | 0 | 0 | 111.5 | Y226 | H220-Y226 AromaticContact CE1-CD2 3.93Å; H220-Y226 AromaticContact CE1-CE1 3.76Å; H220-Y226 AromaticContact CE1-CE2 3.17Å; H220-Y226 WeakPolarHBondContact CE1-CE2 3.19Å; H220-Y226 AromaticContact CE1-CZ 3.09Å; H220-Y226 PolarHBondContact CE1-OH 3.33Å; H220-Y226 AromaticContact ND1-CD1 3.6Å; H220-Y226 AromaticContact ND1-CD2 3.78Å; H220-Y226 AromaticContact ND1-CE1 3.14Å; H220-Y226 WeakPolarHBondContact ND1-CE1 3.48Å; H220-Y226 AromaticContact ND1-CE2 3.33Å; H220-Y226 VanDerWaalsContact ND1-CE2 3.33Å; H220-Y226 WeakPolarHBondContact ND1-CE2 3.45Å; H220-Y226 AromaticContact ND1-CG 3.92Å; H220-Y226 AromaticContact ND1-CZ 3.01Å; H220-Y226 PolarHBondContact ND1-OH 3.49Å | ||
| 221 | H | 83 | Confident | 92.7 | Very high | 133 Ų | 133 | 38.4 Ų | 38.4 | 62% | 0.616 | 21% | 0.208 | S | C | * | . | S | Bend | trans | -89.1 | -28.1 | 167.4 | -69 | -59.9 | 0 | 0 | 0 | 112.9 | V219 | V219-H221 PolarHBondContact O-N 2.96Å; V219-H221 VanDerWaalsContact O-N 3.12Å |
| 222 | G | 86.3 | Confident | 92.6 | Very high | 22 Ų | 22 | 38.2 Ų | 38.2 | 23% | 0.227 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -151.4 | -177.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | T224 | G222-T224 PolarHBondContact O-N 3.45Š|
| 223 | P | 88.3 | Confident | 92.4 | Very high | 115 Ų | 115 | 38.7 Ų | 38.7 | 75% | 0.747 | 21% | 0.21 | S | C | * | . | S | Bend | trans | -65.1 | -26.8 | 177.3 | 27.2 | -34.3 | 0 | 0 | 0 | 112.9 | ||
| 224 | T | 91.1 | Very high | 92.2 | Very high | 56 Ų | 56 | 43 Ų | 43 | 34% | 0.344 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -128.6 | -5.1 | -175.7 | 50.4 | 0 | 0 | 0 | 0 | 114.1 | G222 Y226 | G222-T224 PolarHBondContact O-N 3.45Å; T224-Y226 PolarHBondContact O-N 3.12Å; T224-Y226 VanDerWaalsContact O-N 3.1Å |
| 225 | S | 92.3 | Very high | 92 | Very high | 27 Ų | 27 | 43.5 Ų | 43.5 | 19% | 0.189 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -87 | 46.4 | -176.3 | -49.3 | 0 | 0 | 0 | 0 | 112.7 | E185 | E185-S225 VanDerWaalsContact OE1-CB 3.31Å; E185-S225 WeakPolarHBondContact OE1-CB 3.3Å; E185-S225 PolarHBondContact OE1-OG 3.18Å |
| 226 | Y | 94.2 | Very high | 91.8 | Very high | 39 Ų | 39 | 43.5 Ų | 43.5 | 15% | 0.153 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -164.9 | 163.1 | 174.8 | 74.2 | -72.2 | 0 | 0 | 0 | 109.5 | N217 V219 H220 T224 P228 | N217-Y226 WeakPolarHBondContact O-CA 3.43Å; V219-Y226 WeakPolarHBondContact O-CB 3.25Å; H220-Y226 AromaticContact CE1-CD2 3.93Å; H220-Y226 AromaticContact CE1-CE1 3.76Å; H220-Y226 AromaticContact CE1-CE2 3.17Å; H220-Y226 WeakPolarHBondContact CE1-CE2 3.19Å; H220-Y226 AromaticContact CE1-CZ 3.09Å; H220-Y226 PolarHBondContact CE1-OH 3.33Å; H220-Y226 AromaticContact ND1-CD1 3.6Å; H220-Y226 AromaticContact ND1-CD2 3.78Å; H220-Y226 AromaticContact ND1-CE1 3.14Å; H220-Y226 WeakPolarHBondContact ND1-CE1 3.48Å; H220-Y226 AromaticContact ND1-CE2 3.33Å; H220-Y226 VanDerWaalsContact ND1-CE2 3.33Å; H220-Y226 WeakPolarHBondContact ND1-CE2 3.45Å; H220-Y226 AromaticContact ND1-CG 3.92Å; H220-Y226 AromaticContact ND1-CZ 3.01Å; H220-Y226 PolarHBondContact ND1-OH 3.49Å; T224-Y226 PolarHBondContact O-N 3.12Å; T224-Y226 VanDerWaalsContact O-N 3.1Å; Y226-P228 HydrophobicContact CD2-CG 4.25Å; Y226-P228 HydrophobicContact CE2-CB 3.77Å; Y226-P228 HydrophobicContact CE2-CG 3.52Å; Y226-P228 WeakPolarHBondContact O-CD 3.38Å |
| 227 | L | 94.4 | Very high | 91.8 | Very high | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.01 | 24% | 0.238 | C | C | . | . | trans | -98.8 | 108.1 | 171 | 178.9 | 62.8 | 0 | 0 | 0 | 110 | L179 L187 F191 Q216 N217 E229 F231 L232 W241 | L179-L227 HydrophobicContact CD2-CD2 4.48Å; L187-L227 HydrophobicContact CD2-CD1 4.25Å; L187-L227 HydrophobicContact CD2-CD2 4.21Å; F191-L227 HydrophobicContact CD2-CD1 3.66Å; F191-L227 HydrophobicContact CE2-CD1 3.5Å; F191-L227 VanDerWaalsContact CE2-CD1 3.5Å; F191-L227 HydrophobicContact CZ-CD1 4.24Å; Q216-L227 HydrophobicContact CB-CB 4.02Å; Q216-L227 HydrophobicContact CB-CD2 4.37Å; Q216-L227 HydrophobicContact CG-CB 4.4Å; Q216-L227 HydrophobicContact CG-CD2 4.18Å; N217-L227 PolarHBondContact O-N 3.38Å; L227-E229 PolarHBondContact O-N 3.4Å; L227-F231 HydrophobicContact CD1-CB 4.23Å; L227-F231 HydrophobicContact CD1-CD2 4.23Å; L227-L232 HydrophobicContact CD2-CD2 4.37Å; L227-W241 HydrophobicContact CB-CZ2 4.26Å; L227-W241 HydrophobicContact CD2-CH2 4.45Å; L227-W241 HydrophobicContact CG-CH2 4.44Å; L227-W241 WeakPolarHBondContact O-CH2 3.36Å | ||
| 228 | P | 93.1 | Very high | 91.8 | Very high | 15 Ų | 15 | 42.9 Ų | 42.9 | 10% | 0.097 | 23% | 0.232 | C | C | . | . | trans | -63 | 131.5 | 174 | -14.4 | 24.6 | 0 | 0 | 0 | 110.9 | Y226 N230 F231 | Y226-P228 HydrophobicContact CD2-CG 4.25Å; Y226-P228 HydrophobicContact CE2-CB 3.77Å; Y226-P228 HydrophobicContact CE2-CG 3.52Å; Y226-P228 WeakPolarHBondContact O-CD 3.38Å; P228-N230 PolarHBondContact O-N 3.23Å; P228-F231 HydrophobicContact CB-CD1 4.19Å; P228-F231 HydrophobicContact CB-CE1 4.41Å; P228-F231 HydrophobicContact CB-CG 4.33Å; P228-F231 HydrophobicContact CG-CD1 4.16Å; P228-F231 HydrophobicContact CG-CD2 4.07Å; P228-F231 HydrophobicContact CG-CE1 4.04Å; P228-F231 HydrophobicContact CG-CE2 3.95Å; P228-F231 HydrophobicContact CG-CG 4.18Å; P228-F231 HydrophobicContact CG-CZ 3.93Å; P228-F231 WeakPolarHBondContact O-CB 3.31Å; P228-F231 PolarHBondContact O-N 3.46Å | ||
| 229 | E | 93.8 | Very high | 92 | Very high | 40 Ų | 40 | 41.4 Ų | 41.4 | 19% | 0.187 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -55.2 | -29.1 | 175.4 | -57.2 | -172.7 | -173 | 0 | 0 | 112.1 | R218 L227 F231 L232 W241 N254 F259 | R218-E229 IonicContact CZ-OE1 2.72Å; R218-E229 VanDerWaalsContact CZ-OE1 3.24Å; R218-E229 IonicContact NE-OE1 3.6Å; R218-E229 PolarHBondContact NE-OE1 2.72Å; R218-E229 IonicContact NH2-OE1 3.83Å; R218-E229 PolarHBondContact NH2-OE1 3.33Å; L227-E229 PolarHBondContact O-N 3.4Å; E229-F231 PolarHBondContact O-N 2.78Å; E229-L232 PolarHBondContact O-N 2.71Å; E229-W241 HydrophobicContact CG-CH2 3.84Å; E229-W241 HydrophobicContact CG-CZ3 3.74Å; E229-N254 VanDerWaalsContact CB-ND2 3.34Å; E229-N254 WeakPolarHBondContact CB-ND2 3.16Å; E229-N254 PolarHBondContact OE2-ND2 2.96Å; E229-F259 HydrophobicContact CB-CE2 4.46Å; E229-F259 HydrophobicContact CB-CZ 4.23Å; E229-F259 WeakPolarHBondContact O-CZ 3.36Å |
| 230 | N | 92.4 | Very high | 92.4 | Very high | 71 Ų | 71 | 38.1 Ų | 38.1 | 38% | 0.38 | 21% | 0.206 | S | C | . | . | G | 310 helix | trans | -67.6 | -14.3 | 177.9 | -67.9 | -22.3 | 0 | 0 | 0 | 114.6 | P228 L232 S256 K257 | P228-N230 PolarHBondContact O-N 3.23Å; N230-L232 VanDerWaalsContact C-N 3.34Å; N230-S256 VanDerWaalsContact OD1-CB 3.31Å; N230-S256 WeakPolarHBondContact OD1-CB 3.31Å; N230-K257 WeakPolarHBondContact O-CE 3.49Å; N230-K257 PolarHBondContact O-NZ 3.34Å |
| 231 | F | 92.1 | Very high | 93 | Very high | 28 Ų | 28 | 32 Ų | 32 | 12% | 0.123 | 18% | 0.178 | C | C | . | . | G | 310 helix | trans | -78.7 | -24.2 | 175.6 | -75.3 | 6.8 | 0 | 0 | 0 | 111.8 | H188 F191 L192 L227 P228 E229 | H188-F231 AromaticContact CD2-CE2 3.79Å; H188-F231 AromaticContact CE1-CE2 3.93Å; H188-F231 AromaticContact CE1-CZ 3.87Å; H188-F231 AromaticContact NE2-CE2 3.7Å; H188-F231 AromaticContact NE2-CZ 3.71Å; F191-F231 HydrophobicContact CB-CB 4.31Å; F191-F231 HydrophobicContact CB-CD2 3.35Å; F191-F231 HydrophobicContact CB-CE2 3.86Å; F191-F231 HydrophobicContact CB-CG 4.08Å; F191-F231 HydrophobicContact CD1-CB 3.9Å; F191-F231 HydrophobicContact CD1-CD2 4.47Å; F191-F231 HydrophobicContact CD2-CD2 4.23Å; F191-F231 HydrophobicContact CE1-CB 4.35Å; F191-F231 HydrophobicContact CG-CB 4.03Å; F191-F231 AromaticContact CG-CD2 3.8Å; F191-F231 HydrophobicContact CG-CD2 3.8Å; F191-F231 HydrophobicContact CG-CG 4.32Å; L192-F231 HydrophobicContact CD2-CE1 4.41Å; L192-F231 HydrophobicContact CD2-CE2 4.32Å; L192-F231 HydrophobicContact CD2-CZ 3.69Å; L192-F231 HydrophobicContact CG-CE2 4.37Å; L192-F231 HydrophobicContact CG-CZ 4.2Å; L227-F231 HydrophobicContact CD1-CB 4.23Å; L227-F231 HydrophobicContact CD1-CD2 4.23Å; P228-F231 HydrophobicContact CB-CD1 4.19Å; P228-F231 HydrophobicContact CB-CE1 4.41Å; P228-F231 HydrophobicContact CB-CG 4.33Å; P228-F231 HydrophobicContact CG-CD1 4.16Å; P228-F231 HydrophobicContact CG-CD2 4.07Å; P228-F231 HydrophobicContact CG-CE1 4.04Å; P228-F231 HydrophobicContact CG-CE2 3.95Å; P228-F231 HydrophobicContact CG-CG 4.18Å; P228-F231 HydrophobicContact CG-CZ 3.93Å; P228-F231 WeakPolarHBondContact O-CB 3.31Å; P228-F231 PolarHBondContact O-N 3.46Å; E229-F231 PolarHBondContact O-N 2.78Å |
| 232 | L | 94 | Very high | 93.6 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -71.7 | 147.4 | -179.2 | -63.9 | 173.2 | 0 | 0 | 0 | 111.2 | F191 F198 L227 E229 N230 L236 I239 W241 K257 F259 | F191-L232 HydrophobicContact CZ-CD2 4.14Å; F198-L232 HydrophobicContact CZ-CD2 4.26Å; L227-L232 HydrophobicContact CD2-CD2 4.37Å; E229-L232 PolarHBondContact O-N 2.71Å; N230-L232 VanDerWaalsContact C-N 3.34Å; L232-L236 HydrophobicContact CB-CD1 4.29Å; L232-I239 HydrophobicContact CB-CD1 4.47Å; L232-I239 HydrophobicContact CD1-CD1 3.45Å; L232-I239 VanDerWaalsContact CD1-CD1 3.45Å; L232-I239 HydrophobicContact CD1-CG1 4.23Å; L232-I239 HydrophobicContact CD1-CG2 4.42Å; L232-W241 HydrophobicContact CD1-CH2 4.48Å; L232-W241 HydrophobicContact CD1-CZ3 4.07Å; L232-K257 WeakPolarHBondContact O-CD 3.4Å; L232-K257 WeakPolarHBondContact O-CE 3.21Å; L232-K257 PolarHBondContact O-NZ 3.4Å; L232-F259 HydrophobicContact CB-CE1 4.09Å; L232-F259 HydrophobicContact CB-CZ 4.37Å |
| 233 | P | 93.3 | Very high | 94.1 | Very high | 10 Ų | 10 | 26 Ų | 26 | 7% | 0.065 | 14% | 0.144 | C | C | . | . | trans | -62.4 | 147.1 | 177.9 | -22.7 | 33.3 | 0 | 0 | 0 | 112.7 | F198 F235 | F198-P233 HydrophobicContact CD1-CG 4.19Å; F198-P233 HydrophobicContact CD2-CG 3.58Å; F198-P233 HydrophobicContact CE1-CG 4.25Å; F198-P233 HydrophobicContact CE2-CG 3.66Å; F198-P233 HydrophobicContact CG-CG 3.86Å; F198-P233 HydrophobicContact CZ-CG 4Å; P233-F235 VanDerWaalsContact C-N 3.31Å; P233-F235 HydrophobicContact CB-CD1 3.33Å; P233-F235 HydrophobicContact CB-CE1 3.32Å; P233-F235 HydrophobicContact CB-CG 4.4Å; P233-F235 HydrophobicContact CB-CZ 4.38Å; P233-F235 HydrophobicContact CG-CD1 4.24Å; P233-F235 HydrophobicContact CG-CE1 3.71Å; P233-F235 PolarHBondContact O-N 3.5Å | ||
| 234 | D | 93 | Very high | 94.5 | Very high | 90 Ų | 90 | 21.7 Ų | 21.7 | 48% | 0.481 | 11% | 0.114 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -17.2 | 178.1 | 63.3 | -14.7 | 0 | 0 | 0 | 113.4 | L236 K257 R768 | D234-L236 PolarHBondContact O-N 2.78Å; D234-K257 HydrophobicContact CB-CD 4.2Å; D234-R768 PolarHBondContact O-NH2 3.19Å |
| 235 | F | 92.6 | Very high | 94.8 | Very high | 10 Ų | 10 | 20.5 Ų | 20.5 | 4% | 0.044 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -23.4 | 179.5 | 78.4 | -97.2 | 0 | 0 | 0 | 112.9 | Y177 F198 R200 P233 L654 R768 | Y177-F235 HydrophobicContact CE1-CZ 4.36Å; Y177-F235 AromaticContact CE2-CE2 3.91Å; Y177-F235 HydrophobicContact CE2-CE2 3.91Å; Y177-F235 HydrophobicContact CE2-CZ 4.34Å; Y177-F235 AromaticContact CZ-CE2 3.82Å; Y177-F235 AromaticContact CZ-CZ 3.95Å; F198-F235 HydrophobicContact CB-CE1 4.02Å; F198-F235 HydrophobicContact CB-CZ 4.03Å; F198-F235 HydrophobicContact CD1-CZ 4.14Å; F198-F235 HydrophobicContact CG-CE1 4.38Å; F198-F235 HydrophobicContact CG-CZ 4.38Å; R200-F235 HydrophobicContact CG-CE1 4.39Å; R200-F235 HydrophobicContact CG-CE2 4.28Å; R200-F235 HydrophobicContact CG-CZ 4.14Å; P233-F235 VanDerWaalsContact C-N 3.31Å; P233-F235 HydrophobicContact CB-CD1 3.33Å; P233-F235 HydrophobicContact CB-CE1 3.32Å; P233-F235 HydrophobicContact CB-CG 4.4Å; P233-F235 HydrophobicContact CB-CZ 4.38Å; P233-F235 HydrophobicContact CG-CD1 4.24Å; P233-F235 HydrophobicContact CG-CE1 3.71Å; P233-F235 PolarHBondContact O-N 3.5Å; F235-L654 HydrophobicContact CD1-CD2 3.96Å; F235-L654 HydrophobicContact CE1-CD2 3.83Å; F235-R768 PolarHBondContact O-NH1 2.89Å |
| 236 | L | 94.7 | Very high | 95 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 11% | 0.108 | C | C | . | . | trans | -59.5 | 147 | 177.5 | -62 | 175.8 | 0 | 0 | 0 | 110.7 | Y177 C212 L232 D234 I239 F259 | Y177-L236 HydrophobicContact CD2-CD2 4.11Å; Y177-L236 HydrophobicContact CE2-CD2 4.32Å; C212-L236 HydrophobicContact CB-CD1 3.78Å; C212-L236 HydrophobicContact CB-CD2 4Å; C212-L236 HydrophobicContact CB-CG 4.48Å; L232-L236 HydrophobicContact CB-CD1 4.29Å; D234-L236 PolarHBondContact O-N 2.78Å; L236-I239 HydrophobicContact CD1-CG1 4.42Å; L236-F259 HydrophobicContact CB-CD1 4.47Å; L236-F259 WeakPolarHBondContact O-CB 3.44Å | ||
| 237 | D | 95 | Very high | 95 | Very high | 11 Ų | 11 | 20.7 Ų | 20.7 | 6% | 0.059 | 11% | 0.105 | C | C | . | . | trans | -104.7 | -42.3 | 179.8 | -61 | -65.1 | 0 | 0 | 0 | 111.4 | F209 S210 Y260 R768 | F209-D237 HydrophobicContact CD2-CB 3.81Å; F209-D237 HydrophobicContact CE2-CB 3.55Å; F209-D237 HydrophobicContact CG-CB 4.47Å; F209-D237 HydrophobicContact CZ-CB 4Å; S210-D237 PolarHBondContact N-OD2 3.2Å; S210-D237 PolarHBondContact O-N 3.06Å; D237-Y260 PolarHBondContact O-N 3.41Å; D237-R768 WeakPolarHBondContact OD1-CD 3.45Å; D237-R768 IonicContact OD1-CZ 3.22Å; D237-R768 IonicContact OD1-NE 2.59Å; D237-R768 IonicContact OD1-NH1 3.44Å; D237-R768 PolarHBondContact OD1-NH1 3.47Å | ||
| 238 | L | 96.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 134.1 | -178.1 | -179.1 | 66.4 | 0 | 0 | 0 | 110.9 | F209 S210 V211 C212 I240 Y260 V262 L285 F292 | F209-L238 HydrophobicContact CE1-CB 4.12Å; F209-L238 HydrophobicContact CE1-CD2 4.4Å; F209-L238 HydrophobicContact CZ-CB 3.94Å; S210-L238 PolarHBondContact O-N 3.05Å; V211-L238 CarbonylContact C-O 3.52Å; V211-L238 VanDerWaalsContact CA-O 3.32Å; V211-L238 WeakPolarHBondContact CA-O 3.28Å; V211-L238 HydrophobicContact CG2-CB 4.5Å; C212-L238 PolarHBondContact N-O 3.19Å; L238-I240 HydrophobicContact CD2-CD1 4.01Å; L238-I240 HydrophobicContact CG-CD1 4.14Å; L238-Y260 CarbonylContact C-O 3.59Å; L238-Y260 WeakPolarHBondContact CA-O 3.48Å; L238-V262 HydrophobicContact CD1-CB 4.43Å; L238-V262 HydrophobicContact CD1-CG2 3.76Å; L238-L285 HydrophobicContact CD2-CD1 3.7Å; L238-L285 HydrophobicContact CD2-CD2 3.67Å; L238-L285 HydrophobicContact CD2-CG 4.36Å; L238-F292 HydrophobicContact CD1-CE2 4.1Å; L238-F292 HydrophobicContact CD1-CZ 4.3Å; L238-F292 HydrophobicContact CD2-CD2 4.4Å |
| 239 | I | 97.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 125.4 | 172.6 | -62 | 158.3 | 0 | 0 | 0 | 108.8 | C212 V214 L232 L236 W241 F259 Y260 V261 V262 | C212-I239 HydrophobicContact CB-CG1 4.34Å; C212-I239 CarbonylContact O-C 3.24Å; C212-I239 VanDerWaalsContact O-CA 3.27Å; C212-I239 WeakPolarHBondContact O-CA 3.49Å; V214-I239 HydrophobicContact CG2-CG2 4.04Å; L232-I239 HydrophobicContact CB-CD1 4.47Å; L232-I239 HydrophobicContact CD1-CD1 3.45Å; L232-I239 VanDerWaalsContact CD1-CD1 3.45Å; L232-I239 HydrophobicContact CD1-CG1 4.23Å; L232-I239 HydrophobicContact CD1-CG2 4.42Å; L236-I239 HydrophobicContact CD1-CG1 4.42Å; I239-W241 HydrophobicContact CG2-CE3 3.69Å; I239-W241 HydrophobicContact CG2-CZ3 4.23Å; I239-F259 HydrophobicContact CD1-CD1 3.88Å; I239-F259 HydrophobicContact CD1-CD2 3.4Å; I239-F259 HydrophobicContact CD1-CE1 3.7Å; I239-F259 HydrophobicContact CD1-CE2 3.25Å; I239-F259 HydrophobicContact CD1-CG 3.74Å; I239-F259 HydrophobicContact CD1-CZ 3.4Å; I239-F259 HydrophobicContact CG1-CD2 4.35Å; I239-Y260 PolarHBondContact N-O 3.41Å; I239-V261 HydrophobicContact CB-CG2 4.43Å; I239-V261 HydrophobicContact CD1-CG2 4.31Å; I239-V261 WeakPolarHBondContact O-CA 3.27Å; I239-V262 PolarHBondContact O-N 2.93Å |
| 240 | I | 97.7 | Very high | 95.1 | Very high | 2 Ų | 2 | 29.2 Ų | 29.2 | 1% | 0.01 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 116.1 | 168.4 | -56 | -53.4 | 0 | 0 | 0 | 107.6 | V15 L54 A56 V211 C212 T213 V214 L238 V262 P264 | V15-I240 HydrophobicContact CG1-CB 4.5Å; V15-I240 HydrophobicContact CG1-CD1 4.25Å; V15-I240 HydrophobicContact CG1-CG1 4.24Å; V15-I240 HydrophobicContact CG1-CG2 3.48Å; V15-I240 VanDerWaalsContact CG1-CG2 3.48Å; L54-I240 HydrophobicContact CD2-CG1 4.4Å; A56-I240 HydrophobicContact CB-CG2 3.89Å; V211-I240 HydrophobicContact CG1-CG1 4.1Å; C212-I240 PolarHBondContact O-N 3.25Å; T213-I240 WeakPolarHBondContact CA-O 3.28Å; T213-I240 HydrophobicContact CG2-CB 4.28Å; T213-I240 HydrophobicContact CG2-CG2 4.32Å; V214-I240 PolarHBondContact N-O 2.69Å; L238-I240 HydrophobicContact CD2-CD1 4.01Å; L238-I240 HydrophobicContact CG-CD1 4.14Å; I240-V262 WeakPolarHBondContact CA-O 3.47Å; I240-V262 HydrophobicContact CD1-CB 3.96Å; I240-V262 HydrophobicContact CD1-CG1 4.22Å; I240-P264 HydrophobicContact CG2-CG 4.26Å |
| 241 | W | 97.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 109 | -176.1 | -146.4 | -67.5 | 0 | 0 | 0 | 110.3 | V214 Q216 R218 L227 E229 L232 I239 V261 V262 Q263 P264 | V214-W241 HydrophobicContact CG2-CB 4.46Å; V214-W241 HydrophobicContact CG2-CD2 3.7Å; V214-W241 HydrophobicContact CG2-CE3 3.99Å; V214-W241 HydrophobicContact CG2-CG 3.94Å; V214-W241 HydrophobicContact CG2-CZ3 4.5Å; Q216-W241 PolarHBondContact O-NE1 3.37Å; R218-W241 HydrophobicContact CB-CD2 4.47Å; R218-W241 HydrophobicContact CB-CZ2 3.98Å; R218-W241 HydrophobicContact CG-CD2 4.23Å; R218-W241 HydrophobicContact CG-CH2 4.38Å; R218-W241 HydrophobicContact CG-CZ2 3.88Å; L227-W241 HydrophobicContact CB-CZ2 4.26Å; L227-W241 HydrophobicContact CD2-CH2 4.45Å; L227-W241 HydrophobicContact CG-CH2 4.44Å; L227-W241 WeakPolarHBondContact O-CH2 3.36Å; E229-W241 HydrophobicContact CG-CH2 3.84Å; E229-W241 HydrophobicContact CG-CZ3 3.74Å; L232-W241 HydrophobicContact CD1-CH2 4.48Å; L232-W241 HydrophobicContact CD1-CZ3 4.07Å; I239-W241 HydrophobicContact CG2-CE3 3.69Å; I239-W241 HydrophobicContact CG2-CZ3 4.23Å; W241-V261 HydrophobicContact CB-CG1 4.19Å; W241-V261 HydrophobicContact CD2-CG1 4.47Å; W241-V261 HydrophobicContact CE3-CG1 3.8Å; W241-V262 PolarHBondContact N-O 3.5Å; W241-Q263 HydrophobicContact CB-CB 4.27Å; W241-Q263 HydrophobicContact CB-CG 4.49Å; W241-P264 WeakPolarHBondContact O-CD 3.49Å |
| 242 | G | 96.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | -171.3 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | T17 V214 E244 | T17-G242 VanDerWaalsContact OG1-CA 3.29Å; T17-G242 WeakPolarHBondContact OG1-CA 3.46Å; V214-G242 PolarHBondContact O-N 3.37Å; G242-E244 PolarHBondContact O-N 2.85Å |
| 243 | H | 96.8 | Very high | 95.3 | Very high | 31 Ų | 31 | 33.4 Ų | 33.4 | 14% | 0.144 | 16% | 0.156 | C | C | . | . | S | Bend | trans | 74.5 | -42.1 | -176 | -169.5 | 75.4 | 0 | 0 | 0 | 114.1 | D18 N126 H215 N217 H245 | D18-H243 WeakPolarHBondContact OD1-CA 3.48Å; D18-H243 PolarHBondContact OD1-N 3.28Å; D18-H243 PolarHBondContact OD2-N 2.94Å; N126-H243 PolarHBondContact OD1-CE1 3.2Å; N126-H243 VanDerWaalsContact OD1-CE1 3.31Å; N126-H243 PolarHBondContact OD1-ND1 2.96Å; H215-H243 AromaticContact CD2-ND1 3.74Å; H215-H243 PolarHBondContact CE1-N 3.44Å; H215-H243 PolarHBondContact ND1-N 3.32Å; H215-H243 WeakPolarHBondContact NE2-CA 3.42Å; H215-H243 AromaticContact NE2-CG 4Å; H215-H243 AromaticContact NE2-ND1 3.57Å; N217-H243 VanDerWaalsContact CG-NE2 3.26Å; N217-H243 PolarHBondContact N-CD2 3Å; N217-H243 PolarHBondContact ND2-NE2 3.05Å; N217-H243 VanDerWaalsContact ND2-NE2 3.17Å; N217-H243 PolarHBondContact OD1-CD2 2.9Å; N217-H243 VanDerWaalsContact OD1-CD2 3.32Å; N217-H243 PolarHBondContact OD1-NE2 2.86Å; H243-H245 PolarHBondContact O-CD2 3Å; H243-H245 PolarHBondContact O-N 3.15Å |
| 244 | E | 96 | Very high | 95.2 | Very high | 23 Ų | 23 | 33.6 Ų | 33.6 | 11% | 0.107 | 16% | 0.156 | C | C | . | . | trans | -79.3 | 116.8 | 177.5 | -65 | -68.9 | 178.1 | 0 | 0 | 110.6 | R218 V219 G242 E246 Q263 | R218-E244 WeakPolarHBondContact CA-OE1 3.35Å; R218-E244 HydrophobicContact CB-CG 3.67Å; R218-E244 PolarHBondContact N-OE1 3.47Å; V219-E244 PolarHBondContact N-OE1 2.84Å; G242-E244 PolarHBondContact O-N 2.85Å; E244-E246 VanDerWaalsContact C-N 3.35Å; E244-E246 PolarHBondContact O-N 2.7Å; E244-Q263 VanDerWaalsContact CB-CD 3.45Å; E244-Q263 HydrophobicContact CB-CG 3.94Å | ||
| 245 | H | 96.9 | Very high | 95 | Very high | 31 Ų | 31 | 33.7 Ų | 33.7 | 14% | 0.144 | 16% | 0.164 | C | C | . | . | trans | -80.5 | -13.6 | -174.2 | -71.1 | -170.1 | 0 | 0 | 0 | 114.6 | D18 H20 H243 S266 T270 E276 | D18-H245 IonicContact OD1-CD2 3.49Å; D18-H245 PolarHBondContact OD1-CD2 3.29Å; D18-H245 IonicContact OD1-NE2 3.85Å; D18-H245 PolarHBondContact OD1-NE2 3.14Å; H20-H245 AromaticContact CD2-CE1 3.78Å; H20-H245 AromaticContact CD2-NE2 3.7Å; H20-H245 AromaticContact NE2-CE1 3.37Å; H20-H245 PolarHBondContact NE2-CE1 3.37Å; H20-H245 AromaticContact NE2-NE2 3.1Å; H20-H245 PolarHBondContact NE2-NE2 3.14Å; H243-H245 PolarHBondContact O-CD2 3Å; H243-H245 PolarHBondContact O-N 3.15Å; H245-S266 WeakPolarHBondContact CB-OG 3.44Å; H245-S266 PolarHBondContact O-N 3.31Å; H245-T270 PolarHBondContact CE1-OG1 2.94Å; H245-T270 PolarHBondContact ND1-OG1 3.19Å; H245-E276 HydrophobicContact CB-CG 4.15Å; H245-E276 IonicContact CG-OE1 3.7Å; H245-E276 IonicContact ND1-OE1 3.14Å; H245-E276 PolarHBondContact ND1-OE1 3.11Å; H245-E276 IonicContact ND1-OE2 3.89Å | ||
| 246 | E | 96.2 | Very high | 94.8 | Very high | 57 Ų | 57 | 37.2 Ų | 37.2 | 27% | 0.266 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -66.9 | 129 | 174.3 | -175.4 | -171.4 | -168.7 | 0 | 0 | 110.3 | E244 R248 Q263 Q278 | E244-E246 VanDerWaalsContact C-N 3.35Å; E244-E246 PolarHBondContact O-N 2.7Å; E246-R248 HydrophobicContact CG-CG 4.23Å; E246-R248 PolarHBondContact O-N 2.82Å; E246-Q263 PolarHBondContact O-NE2 2.91Å; E246-Q278 VanDerWaalsContact CG-OE1 3.3Å; E246-Q278 PolarHBondContact OE1-NE2 3.37Å |
| 247 | C | 96.1 | Very high | 94.4 | Very high | 14 Ų | 14 | 39.2 Ų | 39.2 | 10% | 0.095 | 20% | 0.199 | C | C | . | . | trans | -85.4 | 90.4 | -174.1 | 175.1 | 0 | 0 | 0 | 0 | 111.9 | V249 P264 Q278 D279 | C247-V249 VanDerWaalsContact SG-CG2 3.52Å; C247-P264 PolarHBondContact SG-O 3.21Å; C247-P264 VanDerWaalsContact SG-O 3.37Å; C247-Q278 PolarHBondContact O-OE1 3.32Å; C247-D279 PolarHBondContact SG-O 2.84Å | ||
| 248 | R | 95.2 | Very high | 94.2 | Very high | 83 Ų | 83 | 42.4 Ų | 42.4 | 31% | 0.313 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 64.3 | 174.5 | -67.5 | 167.1 | 64.6 | 179 | 4.1 | 110.4 | E246 E250 E252 Q263 | E246-R248 HydrophobicContact CG-CG 4.23Å; E246-R248 PolarHBondContact O-N 2.82Å; R248-E250 VanDerWaalsContact C-N 3.28Å; R248-E250 PolarHBondContact O-N 3.09Å; R248-E252 IonicContact CZ-OE1 3.25Å; R248-E252 IonicContact CZ-OE2 3.73Å; R248-E252 IonicContact NE-OE1 3.57Å; R248-E252 PolarHBondContact NE-OE1 2.85Å; R248-E252 IonicContact NE-OE2 3.51Å; R248-E252 IonicContact NH2-OE1 2.7Å; R248-E252 PolarHBondContact NH2-OE1 3.31Å; R248-E252 IonicContact NH2-OE2 3.09Å; R248-E252 PolarHBondContact NH2-OE2 2.83Å; R248-Q263 CarbonylContact C-O 3.54Å; R248-Q263 WeakPolarHBondContact CA-O 3.25Å; R248-Q263 HydrophobicContact CB-CB 4.16Å; R248-Q263 PolarHBondContact N-O 3.33Å; R248-Q263 CarbonylContact O-C 3.5Å; R248-Q263 PolarHBondContact O-N 2.66Å |
| 249 | V | 92.9 | Very high | 94.1 | Very high | 4 Ų | 4 | 42.4 Ų | 42.4 | 2% | 0.024 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | -25.2 | -175.1 | 171.9 | 0 | 0 | 0 | 0 | 112.8 | C247 V262 Q263 P264 A281 A283 V294 R296 | C247-V249 VanDerWaalsContact SG-CG2 3.52Å; V249-V262 WeakPolarHBondContact O-CG1 3.29Å; V249-Q263 PolarHBondContact N-O 2.89Å; V249-P264 HydrophobicContact CG2-CB 4.44Å; V249-P264 WeakPolarHBondContact CG2-O 3.45Å; V249-A281 HydrophobicContact CG2-CB 4.18Å; V249-A283 HydrophobicContact CG1-CB 3.76Å; V249-V294 HydrophobicContact CG1-CG1 4.26Å; V249-R296 HydrophobicContact CB-CG 4.35Å; V249-R296 HydrophobicContact CG1-CB 4.02Å; V249-R296 HydrophobicContact CG1-CG 4.08Å |
| 250 | E | 94 | Very high | 94.1 | Very high | 148 Ų | 148 | 44 Ų | 44 | 69% | 0.692 | 22% | 0.222 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -69 | 133.7 | 178.9 | -64.6 | -176.7 | 174.4 | 0 | 0 | 110.4 | R248 E252 | R248-E250 VanDerWaalsContact C-N 3.28Å; R248-E250 PolarHBondContact O-N 3.09Å; E250-E252 PolarHBondContact O-N 3.5Å |
| 251 | P | 94.4 | Very high | 94 | Very high | 27 Ų | 27 | 44 Ų | 44 | 18% | 0.175 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 121 | -175.3 | 26.3 | -33.6 | 0 | 0 | 0 | 111.8 | Y260 V262 F292 V294 F766 | P251-Y260 HydrophobicContact CB-CD1 4.04Å; P251-Y260 HydrophobicContact CB-CG 4.44Å; P251-V262 HydrophobicContact CB-CG2 3.79Å; P251-F292 HydrophobicContact CB-CE2 4.27Å; P251-V294 HydrophobicContact CG-CB 4.49Å; P251-V294 HydrophobicContact CG-CG2 4.47Å; P251-F766 HydrophobicContact CG-CD2 4.22Å; P251-F766 HydrophobicContact CG-CE1 4.48Å; P251-F766 HydrophobicContact CG-CE2 3.52Å; P251-F766 HydrophobicContact CG-CZ 3.67Å |
| 252 | E | 94.2 | Very high | 94 | Very high | 57 Ų | 57 | 44 Ų | 44 | 27% | 0.266 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 129.3 | -179.4 | -64.1 | 178.1 | 169.1 | 0 | 0 | 111.2 | R218 R248 E250 Y260 V261 | R218-E252 IonicContact CZ-OE2 3.29Å; R218-E252 IonicContact NH1-OE2 3.27Å; R218-E252 PolarHBondContact NH1-OE2 2.95Å; R218-E252 IonicContact NH2-OE2 3.77Å; R218-E252 PolarHBondContact NH2-OE2 3.04Å; R248-E252 IonicContact CZ-OE1 3.25Å; R248-E252 IonicContact CZ-OE2 3.73Å; R248-E252 IonicContact NE-OE1 3.57Å; R248-E252 PolarHBondContact NE-OE1 2.85Å; R248-E252 IonicContact NE-OE2 3.51Å; R248-E252 IonicContact NH2-OE1 2.7Å; R248-E252 PolarHBondContact NH2-OE1 3.31Å; R248-E252 IonicContact NH2-OE2 3.09Å; R248-E252 PolarHBondContact NH2-OE2 2.83Å; E250-E252 PolarHBondContact O-N 3.5Å; E252-Y260 CarbonylContact O-C 3.51Å; E252-Y260 VanDerWaalsContact O-CA 3.29Å; E252-Y260 WeakPolarHBondContact O-CA 3.36Å; E252-V261 PolarHBondContact N-O 2.82Å; E252-V261 PolarHBondContact O-N 3.42Å |
| 253 | W | 93.8 | Very high | 94 | Very high | 103 Ų | 103 | 44.1 Ų | 44.1 | 39% | 0.39 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 120 | -178.9 | 177.8 | -107.6 | 0 | 0 | 0 | 112.4 | N258 Y260 | W253-N258 HydrophobicContact CH2-CB 3.7Å; W253-N258 WeakPolarHBondContact CH2-O 3.49Å; W253-N258 HydrophobicContact CZ2-CB 3.88Å; W253-Y260 HydrophobicContact CB-CD1 4.23Å; W253-Y260 HydrophobicContact CB-CE1 3.98Å; W253-Y260 HydrophobicContact CD2-CE1 4.32Å; W253-Y260 AromaticContact CE3-CD1 3.91Å; W253-Y260 HydrophobicContact CE3-CD1 3.91Å; W253-Y260 AromaticContact CE3-CD2 3.78Å; W253-Y260 HydrophobicContact CE3-CD2 3.78Å; W253-Y260 AromaticContact CE3-CE1 3.6Å; W253-Y260 HydrophobicContact CE3-CE1 3.6Å; W253-Y260 AromaticContact CE3-CE2 3.46Å; W253-Y260 HydrophobicContact CE3-CE2 3.46Å; W253-Y260 VanDerWaalsContact CE3-CE2 3.46Å; W253-Y260 HydrophobicContact CE3-CG 4Å; W253-Y260 AromaticContact CE3-CZ 3.35Å; W253-Y260 AromaticContact CZ3-CD2 3.86Å; W253-Y260 HydrophobicContact CZ3-CD2 3.86Å; W253-Y260 HydrophobicContact CZ3-CE1 4.43Å; W253-Y260 AromaticContact CZ3-CE2 3.46Å; W253-Y260 HydrophobicContact CZ3-CE2 3.46Å; W253-Y260 VanDerWaalsContact CZ3-CE2 3.46Å; W253-Y260 AromaticContact CZ3-CZ 3.77Å |
| 254 | N | 91.5 | Very high | 94 | Very high | 14 Ų | 14 | 42.7 Ų | 42.7 | 8% | 0.075 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 109.3 | 168.9 | -175.3 | -41.9 | 0 | 0 | 0 | 110.6 | E229 S256 K257 N258 F259 | E229-N254 VanDerWaalsContact CB-ND2 3.34Å; E229-N254 WeakPolarHBondContact CB-ND2 3.16Å; E229-N254 PolarHBondContact OE2-ND2 2.96Å; N254-S256 VanDerWaalsContact C-N 3.3Å; N254-S256 PolarHBondContact O-N 3.33Å; N254-S256 WeakPolarHBondContact OD1-CA 3.37Å; N254-S256 VanDerWaalsContact OD1-CB 3.31Å; N254-S256 WeakPolarHBondContact OD1-CB 3.5Å; N254-S256 PolarHBondContact OD1-N 3.4Å; N254-K257 PolarHBondContact OD1-N 3.16Å; N254-K257 VanDerWaalsContact OD1-N 3.16Å; N254-N258 WeakPolarHBondContact O-CA 3.2Å; N254-N258 PolarHBondContact O-N 3.37Å; N254-F259 HydrophobicContact CB-CD2 3.77Å; N254-F259 HydrophobicContact CB-CE2 3.51Å; N254-F259 HydrophobicContact CB-CZ 4.31Å; N254-F259 PolarHBondContact N-O 3.04Å |
| 255 | S | 89.1 | Confident | 94 | Very high | 92 Ų | 92 | 41.7 Ų | 41.7 | 64% | 0.643 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -21.5 | -179 | -63.1 | 0 | 0 | 0 | 0 | 114.6 | ||
| 256 | S | 87.6 | Confident | 94 | Very high | 85 Ų | 85 | 40.3 Ų | 40.3 | 59% | 0.594 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -35.4 | -177.7 | -55.4 | 0 | 0 | 0 | 0 | 112.2 | N230 N254 | N230-S256 VanDerWaalsContact OD1-CB 3.31Å; N230-S256 WeakPolarHBondContact OD1-CB 3.31Å; N254-S256 VanDerWaalsContact C-N 3.3Å; N254-S256 PolarHBondContact O-N 3.33Å; N254-S256 WeakPolarHBondContact OD1-CA 3.37Å; N254-S256 VanDerWaalsContact OD1-CB 3.31Å; N254-S256 WeakPolarHBondContact OD1-CB 3.5Å; N254-S256 PolarHBondContact OD1-N 3.4Å |
| 257 | K | 87.4 | Confident | 94 | Very high | 41 Ų | 41 | 37.7 Ų | 37.7 | 18% | 0.178 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -117.8 | -8 | -174 | -69.2 | -70.4 | -177.9 | 139.6 | 0 | 115.1 | N230 L232 D234 N254 F259 | N230-K257 WeakPolarHBondContact O-CE 3.49Å; N230-K257 PolarHBondContact O-NZ 3.34Å; L232-K257 WeakPolarHBondContact O-CD 3.4Å; L232-K257 WeakPolarHBondContact O-CE 3.21Å; L232-K257 PolarHBondContact O-NZ 3.4Å; D234-K257 HydrophobicContact CB-CD 4.2Å; N254-K257 PolarHBondContact OD1-N 3.16Å; N254-K257 VanDerWaalsContact OD1-N 3.16Å; K257-F259 HydrophobicContact CB-CD1 3.51Å; K257-F259 HydrophobicContact CB-CE1 3.12Å; K257-F259 HydrophobicContact CB-CE2 4.45Å; K257-F259 HydrophobicContact CB-CG 4.34Å; K257-F259 HydrophobicContact CB-CZ 3.66Å; K257-F259 HydrophobicContact CG-CE1 3.75Å; K257-F259 HydrophobicContact CG-CZ 4.11Å |
| 258 | N | 91 | Very high | 94 | Very high | 78 Ų | 78 | 37.5 Ų | 37.5 | 42% | 0.417 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.9 | 38.1 | 176.4 | -53 | -63.5 | 0 | 0 | 0 | 115 | W253 N254 | W253-N258 HydrophobicContact CH2-CB 3.7Å; W253-N258 WeakPolarHBondContact CH2-O 3.49Å; W253-N258 HydrophobicContact CZ2-CB 3.88Å; N254-N258 WeakPolarHBondContact O-CA 3.2Å; N254-N258 PolarHBondContact O-N 3.37Å |
| 259 | F | 94.4 | Very high | 94 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 165.5 | 170.3 | 54.2 | -121.9 | 0 | 0 | 0 | 110.7 | E229 L232 L236 I239 N254 K257 V261 | E229-F259 HydrophobicContact CB-CE2 4.46Å; E229-F259 HydrophobicContact CB-CZ 4.23Å; E229-F259 WeakPolarHBondContact O-CZ 3.36Å; L232-F259 HydrophobicContact CB-CE1 4.09Å; L232-F259 HydrophobicContact CB-CZ 4.37Å; L236-F259 HydrophobicContact CB-CD1 4.47Å; L236-F259 WeakPolarHBondContact O-CB 3.44Å; I239-F259 HydrophobicContact CD1-CD1 3.88Å; I239-F259 HydrophobicContact CD1-CD2 3.4Å; I239-F259 HydrophobicContact CD1-CE1 3.7Å; I239-F259 HydrophobicContact CD1-CE2 3.25Å; I239-F259 HydrophobicContact CD1-CG 3.74Å; I239-F259 HydrophobicContact CD1-CZ 3.4Å; I239-F259 HydrophobicContact CG1-CD2 4.35Å; N254-F259 HydrophobicContact CB-CD2 3.77Å; N254-F259 HydrophobicContact CB-CE2 3.51Å; N254-F259 HydrophobicContact CB-CZ 4.31Å; N254-F259 PolarHBondContact N-O 3.04Å; K257-F259 HydrophobicContact CB-CD1 3.51Å; K257-F259 HydrophobicContact CB-CE1 3.12Å; K257-F259 HydrophobicContact CB-CE2 4.45Å; K257-F259 HydrophobicContact CB-CG 4.34Å; K257-F259 HydrophobicContact CB-CZ 3.66Å; K257-F259 HydrophobicContact CG-CE1 3.75Å; K257-F259 HydrophobicContact CG-CZ 4.11Å; F259-V261 HydrophobicContact CD2-CG2 3.92Å; F259-V261 HydrophobicContact CE2-CG2 3.7Å |
| 260 | Y | 96.3 | Very high | 94.1 | Very high | 34 Ų | 34 | 35.1 Ų | 35.1 | 13% | 0.133 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 147.1 | 170 | -66.9 | -90.1 | 0 | 0 | 0 | 111.1 | D237 L238 I239 P251 E252 W253 F292 F766 | D237-Y260 PolarHBondContact O-N 3.41Å; L238-Y260 CarbonylContact C-O 3.59Å; L238-Y260 WeakPolarHBondContact CA-O 3.48Å; I239-Y260 PolarHBondContact N-O 3.41Å; P251-Y260 HydrophobicContact CB-CD1 4.04Å; P251-Y260 HydrophobicContact CB-CG 4.44Å; E252-Y260 CarbonylContact O-C 3.51Å; E252-Y260 VanDerWaalsContact O-CA 3.29Å; E252-Y260 WeakPolarHBondContact O-CA 3.36Å; W253-Y260 HydrophobicContact CB-CD1 4.23Å; W253-Y260 HydrophobicContact CB-CE1 3.98Å; W253-Y260 HydrophobicContact CD2-CE1 4.32Å; W253-Y260 AromaticContact CE3-CD1 3.91Å; W253-Y260 HydrophobicContact CE3-CD1 3.91Å; W253-Y260 AromaticContact CE3-CD2 3.78Å; W253-Y260 HydrophobicContact CE3-CD2 3.78Å; W253-Y260 AromaticContact CE3-CE1 3.6Å; W253-Y260 HydrophobicContact CE3-CE1 3.6Å; W253-Y260 AromaticContact CE3-CE2 3.46Å; W253-Y260 HydrophobicContact CE3-CE2 3.46Å; W253-Y260 VanDerWaalsContact CE3-CE2 3.46Å; W253-Y260 HydrophobicContact CE3-CG 4Å; W253-Y260 AromaticContact CE3-CZ 3.35Å; W253-Y260 AromaticContact CZ3-CD2 3.86Å; W253-Y260 HydrophobicContact CZ3-CD2 3.86Å; W253-Y260 HydrophobicContact CZ3-CE1 4.43Å; W253-Y260 AromaticContact CZ3-CE2 3.46Å; W253-Y260 HydrophobicContact CZ3-CE2 3.46Å; W253-Y260 VanDerWaalsContact CZ3-CE2 3.46Å; W253-Y260 AromaticContact CZ3-CZ 3.77Å; Y260-F292 HydrophobicContact CD1-CZ 4.34Å; Y260-F292 AromaticContact CD2-CE1 3.59Å; Y260-F292 HydrophobicContact CD2-CE1 3.59Å; Y260-F292 AromaticContact CD2-CZ 3.46Å; Y260-F292 HydrophobicContact CD2-CZ 3.46Å; Y260-F292 VanDerWaalsContact CD2-CZ 3.46Å; Y260-F292 AromaticContact CE2-CE1 3.92Å; Y260-F292 HydrophobicContact CE2-CE1 3.92Å; Y260-F292 HydrophobicContact CE2-CZ 4Å; Y260-F292 HydrophobicContact CG-CE1 4.26Å; Y260-F292 AromaticContact CG-CZ 3.65Å; Y260-F292 HydrophobicContact CG-CZ 3.65Å; Y260-F766 AromaticContact CE1-CD1 3.68Å; Y260-F766 HydrophobicContact CE1-CD1 3.68Å; Y260-F766 AromaticContact CE1-CE1 3.99Å; Y260-F766 HydrophobicContact CE1-CE1 3.99Å; Y260-F766 HydrophobicContact CE1-CG 4.4Å; Y260-F766 HydrophobicContact CE2-CB 4.28Å; Y260-F766 HydrophobicContact CE2-CD1 4.43Å; Y260-F766 AromaticContact CZ-CD1 3.59Å; Y260-F766 WeakPolarHBondContact OH-CD1 3.26Å |
| 261 | V | 96.5 | Very high | 94.1 | Very high | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.006 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 128.6 | 172.9 | -176.8 | 0 | 0 | 0 | 0 | 108.6 | I239 W241 E252 F259 | I239-V261 HydrophobicContact CB-CG2 4.43Å; I239-V261 HydrophobicContact CD1-CG2 4.31Å; I239-V261 WeakPolarHBondContact O-CA 3.27Å; W241-V261 HydrophobicContact CB-CG1 4.19Å; W241-V261 HydrophobicContact CD2-CG1 4.47Å; W241-V261 HydrophobicContact CE3-CG1 3.8Å; E252-V261 PolarHBondContact N-O 2.82Å; E252-V261 PolarHBondContact O-N 3.42Å; F259-V261 HydrophobicContact CD2-CG2 3.92Å; F259-V261 HydrophobicContact CE2-CG2 3.7Å |
| 262 | V | 97.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 125.8 | 173 | 169.2 | 0 | 0 | 0 | 0 | 107.5 | L238 I239 I240 W241 V249 P251 P264 A283 V294 | L238-V262 HydrophobicContact CD1-CB 4.43Å; L238-V262 HydrophobicContact CD1-CG2 3.76Å; I239-V262 PolarHBondContact O-N 2.93Å; I240-V262 WeakPolarHBondContact CA-O 3.47Å; I240-V262 HydrophobicContact CD1-CB 3.96Å; I240-V262 HydrophobicContact CD1-CG1 4.22Å; W241-V262 PolarHBondContact N-O 3.5Å; V249-V262 WeakPolarHBondContact O-CG1 3.29Å; P251-V262 HydrophobicContact CB-CG2 3.79Å; V262-P264 HydrophobicContact CG1-CG 4.3Å; V262-A283 HydrophobicContact CG1-CB 4.47Å; V262-V294 HydrophobicContact CG2-CG2 4.23Å |
| 263 | Q | 97.2 | Very high | 94 | Very high | 3 Ų | 3 | 30.2 Ų | 30.2 | 1% | 0.014 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 91.7 | -179.6 | 179.4 | -174.6 | -50.9 | 0 | 0 | 108.4 | R218 W241 E244 E246 R248 V249 G265 | R218-Q263 VanDerWaalsContact CD-OE1 3.26Å; W241-Q263 HydrophobicContact CB-CB 4.27Å; W241-Q263 HydrophobicContact CB-CG 4.49Å; E244-Q263 VanDerWaalsContact CB-CD 3.45Å; E244-Q263 HydrophobicContact CB-CG 3.94Å; E246-Q263 PolarHBondContact O-NE2 2.91Å; R248-Q263 CarbonylContact C-O 3.54Å; R248-Q263 WeakPolarHBondContact CA-O 3.25Å; R248-Q263 HydrophobicContact CB-CB 4.16Å; R248-Q263 PolarHBondContact N-O 3.33Å; R248-Q263 CarbonylContact O-C 3.5Å; R248-Q263 PolarHBondContact O-N 2.66Å; V249-Q263 PolarHBondContact N-O 2.89Å; Q263-G265 PolarHBondContact O-N 3.24Å |
| 264 | P | 96 | Very high | 94 | Very high | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.006 | 19% | 0.185 | C | C | . | . | trans | -62 | -28.4 | -170.7 | -21.1 | 31.4 | 0 | 0 | 0 | 114.1 | V15 T17 I240 W241 C247 V249 V262 | V15-P264 HydrophobicContact CG1-CG 3.98Å; T17-P264 HydrophobicContact CG2-CB 4.08Å; T17-P264 HydrophobicContact CG2-CG 4.29Å; I240-P264 HydrophobicContact CG2-CG 4.26Å; W241-P264 WeakPolarHBondContact O-CD 3.49Å; C247-P264 PolarHBondContact SG-O 3.21Å; C247-P264 VanDerWaalsContact SG-O 3.37Å; V249-P264 HydrophobicContact CG2-CB 4.44Å; V249-P264 WeakPolarHBondContact CG2-O 3.45Å; V262-P264 HydrophobicContact CG1-CG 4.3Å | ||
| 265 | G | 95.9 | Very high | 94 | Very high | 2 Ų | 2 | 31.4 Ų | 31.4 | 2% | 0.021 | 19% | 0.192 | C | C | . | . | trans | 79.8 | 168.6 | -172.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | T17 Q263 | T17-G265 VanDerWaalsContact CG2-O 3.25Å; T17-G265 WeakPolarHBondContact CG2-O 3.49Å; Q263-G265 PolarHBondContact O-N 3.24Å | ||
| 266 | S | 97.3 | Very high | 94.3 | Very high | 3 Ų | 3 | 27.3 Ų | 27.3 | 2% | 0.021 | 16% | 0.162 | C | C | . | . | trans | -75.2 | 159.2 | -178.8 | 64.8 | 0 | 0 | 0 | 0 | 112.3 | D18 H245 V268 E276 K280 | D18-S266 WeakPolarHBondContact O-CA 3.25Å; D18-S266 VanDerWaalsContact O-CB 3.28Å; D18-S266 WeakPolarHBondContact O-CB 3.43Å; H245-S266 WeakPolarHBondContact CB-OG 3.44Å; H245-S266 PolarHBondContact O-N 3.31Å; S266-V268 PolarHBondContact OG-O 3.22Å; S266-E276 PolarHBondContact OG-OE2 3.49Å; S266-E276 VanDerWaalsContact OG-OE2 3.13Å; S266-K280 WeakPolarHBondContact O-CD 3.3Å; S266-K280 WeakPolarHBondContact O-CG 3.28Å; S266-K280 PolarHBondContact O-NZ 3.15Å; S266-K280 PolarHBondContact OG-NZ 3.02Å | ||
| 267 | S | 96.3 | Very high | 94.6 | Very high | 1 Ų | 1 | 24.5 Ų | 24.5 | 1% | 0.007 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -87.8 | -13.5 | 177.1 | 78.7 | 0 | 0 | 0 | 0 | 113.9 | D18 N19 T37 V302 | D18-S267 PolarHBondContact O-N 3.33Å; N19-S267 VanDerWaalsContact CA-OG 3.3Å; N19-S267 WeakPolarHBondContact CA-OG 3.41Å; N19-S267 PolarHBondContact ND2-OG 2.74Å; N19-S267 PolarHBondContact O-OG 3.24Å; T37-S267 WeakPolarHBondContact CG2-O 3.39Å; S267-V302 WeakPolarHBondContact O-CG2 3.36Å |
| 268 | V | 95.9 | Very high | 94.8 | Very high | 11 Ų | 11 | 26 Ų | 26 | 7% | 0.067 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -138.7 | 147.3 | 178 | 64.7 | 0 | 0 | 0 | 0 | 110.3 | H20 Y23 D33 S266 T270 K280 | H20-V268 HydrophobicContact CB-CG1 3.82Å; Y23-V268 HydrophobicContact CD1-CG1 4.48Å; Y23-V268 HydrophobicContact CD1-CG2 4.15Å; D33-V268 HydrophobicContact CB-CG2 4.46Å; S266-V268 PolarHBondContact OG-O 3.22Å; V268-T270 HydrophobicContact CG1-CG2 4.2Å; V268-T270 PolarHBondContact O-N 3.44Å; V268-K280 VanDerWaalsContact C-CE 3.48Å; V268-K280 PolarHBondContact O-NZ 2.92Å |
| 269 | A | 95.8 | Very high | 94.9 | Very high | 7 Ų | 7 | 27.7 Ų | 27.7 | 6% | 0.058 | 16% | 0.161 | C | C | . | . | trans | -76.5 | 102.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y23 E276 F305 L391 | Y23-A269 VanDerWaalsContact CE1-O 3.24Å; Y23-A269 WeakPolarHBondContact CE1-O 3.44Å; A269-E276 WeakPolarHBondContact CA-OE2 3.44Å; A269-E276 HydrophobicContact CB-CB 4.48Å; A269-F305 HydrophobicContact CB-CD1 4.18Å; A269-L391 HydrophobicContact CB-CD1 4.31Å | ||
| 270 | T | 94.8 | Very high | 95 | Very high | 29 Ų | 29 | 28.1 Ų | 28.1 | 18% | 0.178 | 16% | 0.163 | C | C | . | . | trans | -84.4 | -28.4 | 179.7 | 69.3 | 0 | 0 | 0 | 0 | 112.2 | H20 Y23 H245 V268 E276 | H20-T270 HydrophobicContact CB-CG2 3.96Å; Y23-T270 HydrophobicContact CD2-CG2 4.34Å; Y23-T270 WeakPolarHBondContact CE2-O 3.42Å; Y23-T270 HydrophobicContact CG-CG2 4.46Å; Y23-T270 PolarHBondContact OH-O 3.42Å; H245-T270 PolarHBondContact CE1-OG1 2.94Å; H245-T270 PolarHBondContact ND1-OG1 3.19Å; V268-T270 HydrophobicContact CG1-CG2 4.2Å; V268-T270 PolarHBondContact O-N 3.44Å; T270-E276 WeakPolarHBondContact CA-OE1 3.26Å; T270-E276 PolarHBondContact N-OE1 3.48Å; T270-E276 PolarHBondContact OG1-OE1 3.45Å | ||
| 271 | A | 94.1 | Very high | 95 | Very high | 46 Ų | 46 | 26.7 Ų | 26.7 | 38% | 0.38 | 16% | 0.158 | S | C | . | . | S | Bend | trans | -126.6 | 151.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | S273 E276 | A271-S273 VanDerWaalsContact C-N 3.26Å; A271-S273 PolarHBondContact O-N 3.27Å; A271-S273 VanDerWaalsContact O-N 3.17Å; A271-E276 HydrophobicContact CB-CG 4.41Å; A271-E276 PolarHBondContact N-OE1 3.28Å; A271-E276 VanDerWaalsContact O-CB 3.27Å; A271-E276 WeakPolarHBondContact O-CB 3.4Å; A271-E276 WeakPolarHBondContact O-CG 3.13Å |
| 272 | L | 93.7 | Very high | 95 | Very high | 33 Ų | 33 | 26.7 Ų | 26.7 | 17% | 0.173 | 16% | 0.158 | C | C | . | . | trans | -89.9 | 61.6 | 175.2 | -60.2 | 176.4 | 0 | 0 | 0 | 110.4 | F305 L391 R393 N420 D423 | L272-F305 VanDerWaalsContact CA-CZ 3.47Å; L272-F305 HydrophobicContact CB-CE2 4.38Å; L272-F305 HydrophobicContact CB-CZ 3.9Å; L272-F305 HydrophobicContact CD2-CD2 4.18Å; L272-F305 HydrophobicContact CD2-CE1 4.35Å; L272-F305 HydrophobicContact CD2-CE2 3.7Å; L272-F305 HydrophobicContact CD2-CZ 3.81Å; L272-F305 HydrophobicContact CG-CZ 4.48Å; L272-L391 HydrophobicContact CD2-CB 4.41Å; L272-L391 HydrophobicContact CD2-CD1 4.49Å; L272-R393 HydrophobicContact CB-CB 4.23Å; L272-R393 HydrophobicContact CB-CG 4.06Å; L272-N420 WeakPolarHBondContact CD1-ND2 3.26Å; L272-D423 HydrophobicContact CD1-CB 3.81Å | ||
| 273 | S | 93.3 | Very high | 95 | Very high | 50 Ų | 50 | 26.8 Ų | 26.8 | 35% | 0.35 | 16% | 0.158 | S | C | . | . | S | Bend | trans | -107.3 | 167.8 | 179.2 | 71.2 | 0 | 0 | 0 | 0 | 111.9 | A271 E276 A277 F305 | A271-S273 VanDerWaalsContact C-N 3.26Å; A271-S273 PolarHBondContact O-N 3.27Å; A271-S273 VanDerWaalsContact O-N 3.17Å; S273-E276 VanDerWaalsContact OG-CG 3.31Å; S273-E276 WeakPolarHBondContact OG-CG 3.36Å; S273-E276 PolarHBondContact OG-N 3.48Å; S273-A277 PolarHBondContact O-N 3.01Å; S273-F305 WeakPolarHBondContact O-CE1 3.48Å |
| 274 | E | 93 | Very high | 95 | Very high | 122 Ų | 122 | 27 Ų | 27 | 57% | 0.57 | 16% | 0.16 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -41.7 | 177.3 | -175.6 | 176 | -176.2 | 0 | 0 | 112.4 | E276 A277 F307 | E274-E276 VanDerWaalsContact C-N 3.33Å; E274-E276 PolarHBondContact O-N 3.39Å; E274-A277 WeakPolarHBondContact O-CB 3.25Å; E274-A277 PolarHBondContact O-N 3.2Å; E274-A277 VanDerWaalsContact O-N 3.16Å; E274-F307 HydrophobicContact CB-CD1 4.08Å; E274-F307 HydrophobicContact CB-CE1 4.13Å; E274-F307 HydrophobicContact CG-CD1 4.39Å |
| 275 | G | 92.1 | Very high | 95.1 | Very high | 20 Ų | 20 | 27.1 Ų | 27.1 | 21% | 0.206 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | -65.1 | -34.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | A277 Q278 | G275-A277 VanDerWaalsContact C-N 3.26Å; G275-A277 PolarHBondContact O-N 2.98Å; G275-Q278 PolarHBondContact O-N 3.25Å |
| 276 | E | 94.7 | Very high | 95.1 | Very high | 6 Ų | 6 | 27.4 Ų | 27.4 | 3% | 0.028 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | -73.5 | -16.8 | 176.9 | -71.9 | -102.6 | -134.2 | 0 | 0 | 113 | H245 S266 A269 T270 A271 S273 E274 Q278 K280 F305 | H245-E276 HydrophobicContact CB-CG 4.15Å; H245-E276 IonicContact CG-OE1 3.7Å; H245-E276 IonicContact ND1-OE1 3.14Å; H245-E276 PolarHBondContact ND1-OE1 3.11Å; H245-E276 IonicContact ND1-OE2 3.89Å; S266-E276 PolarHBondContact OG-OE2 3.49Å; S266-E276 VanDerWaalsContact OG-OE2 3.13Å; A269-E276 WeakPolarHBondContact CA-OE2 3.44Å; A269-E276 HydrophobicContact CB-CB 4.48Å; T270-E276 WeakPolarHBondContact CA-OE1 3.26Å; T270-E276 PolarHBondContact N-OE1 3.48Å; T270-E276 PolarHBondContact OG1-OE1 3.45Å; A271-E276 HydrophobicContact CB-CG 4.41Å; A271-E276 PolarHBondContact N-OE1 3.28Å; A271-E276 VanDerWaalsContact O-CB 3.27Å; A271-E276 WeakPolarHBondContact O-CB 3.4Å; A271-E276 WeakPolarHBondContact O-CG 3.13Å; S273-E276 VanDerWaalsContact OG-CG 3.31Å; S273-E276 WeakPolarHBondContact OG-CG 3.36Å; S273-E276 PolarHBondContact OG-N 3.48Å; E274-E276 VanDerWaalsContact C-N 3.33Å; E274-E276 PolarHBondContact O-N 3.39Å; E276-Q278 VanDerWaalsContact C-N 3.3Å; E276-K280 IonicContact OE2-NZ 2.79Å; E276-K280 PolarHBondContact OE2-NZ 3.26Å; E276-F305 HydrophobicContact CB-CD1 4.27Å; E276-F305 HydrophobicContact CB-CE1 3.99Å |
| 277 | A | 93.3 | Very high | 95 | Very high | 26 Ų | 26 | 27.4 Ų | 27.4 | 22% | 0.215 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | -80.9 | -8.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | S273 E274 G275 F305 F307 | S273-A277 PolarHBondContact O-N 3.01Å; E274-A277 WeakPolarHBondContact O-CB 3.25Å; E274-A277 PolarHBondContact O-N 3.2Å; E274-A277 VanDerWaalsContact O-N 3.16Å; G275-A277 VanDerWaalsContact C-N 3.26Å; G275-A277 PolarHBondContact O-N 2.98Å; A277-F305 VanDerWaalsContact CA-CD1 3.46Å; A277-F305 HydrophobicContact CB-CD1 3.76Å; A277-F305 HydrophobicContact CB-CE1 3.8Å; A277-F305 HydrophobicContact CB-CG 4.27Å; A277-F305 HydrophobicContact CB-CZ 4.34Å; A277-F307 HydrophobicContact CB-CB 3.64Å |
| 278 | Q | 92.6 | Very high | 94.9 | Very high | 73 Ų | 73 | 32.3 Ų | 32.3 | 34% | 0.341 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -69.5 | 149 | 173.8 | -65 | -178.6 | 9.5 | 0 | 0 | 111.5 | E246 C247 G275 E276 K280 | E246-Q278 VanDerWaalsContact CG-OE1 3.3Å; E246-Q278 PolarHBondContact OE1-NE2 3.37Å; C247-Q278 PolarHBondContact O-OE1 3.32Å; G275-Q278 PolarHBondContact O-N 3.25Å; E276-Q278 VanDerWaalsContact C-N 3.3Å; Q278-K280 PolarHBondContact O-N 3.17Å; Q278-K280 VanDerWaalsContact O-N 3.11Å |
| 279 | D | 93.3 | Very high | 94.7 | Very high | 114 Ų | 114 | 36.5 Ų | 36.5 | 61% | 0.61 | 20% | 0.198 | S | C | * | . | trans | -64.3 | 112.1 | -180 | -71.1 | -25.2 | 0 | 0 | 0 | 111.5 | C247 R296 | C247-D279 PolarHBondContact SG-O 2.84Å; D279-R296 PolarHBondContact O-NH2 3.48Å | ||
| 280 | K | 96.1 | Very high | 94.5 | Very high | 9 Ų | 9 | 39.4 Ų | 39.4 | 4% | 0.039 | 21% | 0.209 | C | C | . | . | trans | -69.5 | 138.6 | -177.3 | -60.8 | 177.2 | -179.5 | -71 | 0 | 111.5 | S266 V268 E276 Q278 L299 V302 | S266-K280 WeakPolarHBondContact O-CD 3.3Å; S266-K280 WeakPolarHBondContact O-CG 3.28Å; S266-K280 PolarHBondContact O-NZ 3.15Å; S266-K280 PolarHBondContact OG-NZ 3.02Å; V268-K280 VanDerWaalsContact C-CE 3.48Å; V268-K280 PolarHBondContact O-NZ 2.92Å; E276-K280 IonicContact OE2-NZ 2.79Å; E276-K280 PolarHBondContact OE2-NZ 3.26Å; Q278-K280 PolarHBondContact O-N 3.17Å; Q278-K280 VanDerWaalsContact O-N 3.11Å; K280-L299 HydrophobicContact CB-CD1 4.34Å; K280-L299 PolarHBondContact O-N 3.13Å; K280-L299 VanDerWaalsContact O-N 3.11Å; K280-V302 HydrophobicContact CB-CG1 4.38Å; K280-V302 HydrophobicContact CB-CG2 4.16Å; K280-V302 HydrophobicContact CD-CG1 3.76Å; K280-V302 HydrophobicContact CD-CG2 4.33Å; K280-V302 HydrophobicContact CG-CG1 4.31Å | ||
| 281 | A | 96.1 | Very high | 94.4 | Very high | 3 Ų | 3 | 40.5 Ų | 40.5 | 3% | 0.025 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 156.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | V249 R296 L297 | V249-A281 HydrophobicContact CG2-CB 4.18Å; A281-R296 HydrophobicContact CB-CG 3.56Å; A281-L297 CarbonylContact C-O 3.59Å; A281-L297 VanDerWaalsContact CA-O 3.27Å; A281-L297 WeakPolarHBondContact CA-O 3.45Å; A281-L297 WeakPolarHBondContact CB-O 3.41Å |
| 282 | V | 97 | Very high | 94.4 | Very high | 2 Ų | 2 | 38.6 Ų | 38.6 | 1% | 0.012 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 157.3 | 167.6 | -65.4 | 0 | 0 | 0 | 0 | 110.2 | L14 I41 L44 L297 L299 | L14-V282 HydrophobicContact CD1-CB 4.46Å; L14-V282 HydrophobicContact CD1-CG2 3.89Å; I41-V282 HydrophobicContact CD1-CG1 4.16Å; I41-V282 HydrophobicContact CG1-CG1 3.88Å; I41-V282 HydrophobicContact CG2-CG1 4.41Å; L44-V282 HydrophobicContact CD1-CG2 3.87Å; V282-L297 HydrophobicContact CG2-CB 3.81Å; V282-L297 HydrophobicContact CG2-CD1 4.4Å; V282-L297 PolarHBondContact N-O 2.78Å; V282-L297 PolarHBondContact O-N 3.09Å; V282-L299 HydrophobicContact CG1-CD1 4.25Å; V282-L299 HydrophobicContact CG1-CD2 4.16Å; V282-L299 HydrophobicContact CG1-CG 4.42Å; V282-L299 HydrophobicContact CG2-CD2 4.43Å |
| 283 | A | 97.1 | Very high | 94.5 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.008 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 123.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 110 | V15 V249 V262 V294 | V15-A283 HydrophobicContact CB-CB 4.21Å; V15-A283 PolarHBondContact N-O 3.21Å; V15-A283 PolarHBondContact O-N 3.19Å; V249-A283 HydrophobicContact CG1-CB 3.76Å; V262-A283 HydrophobicContact CG1-CB 4.47Å; A283-V294 HydrophobicContact CB-CG1 3.96Å |
| 284 | L | 97.3 | Very high | 94.6 | Very high | 8 Ų | 8 | 38 Ų | 38 | 4% | 0.042 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 106 | 166.7 | 176.1 | 66.6 | 0 | 0 | 0 | 108.3 | H48 V50 E286 T295 L297 | H48-L284 HydrophobicContact CB-CD2 4.42Å; V50-L284 HydrophobicContact CG1-CD1 3.72Å; L284-E286 HydrophobicContact CG-CG 4.49Å; L284-T295 PolarHBondContact N-O 3.3Å; L284-T295 PolarHBondContact O-N 3.43Å; L284-L297 HydrophobicContact CB-CD1 3.86Å; L284-L297 HydrophobicContact CB-CG 4.14Å |
| 285 | L | 97.1 | Very high | 94.7 | Very high | 4 Ų | 4 | 34.5 Ų | 34.5 | 2% | 0.021 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 117.3 | -179.5 | 173.6 | 64.1 | 0 | 0 | 0 | 109.5 | R12 V13 V15 L238 I287 F292 K293 V294 | R12-L285 CarbonylContact C-O 3.6Å; R12-L285 WeakPolarHBondContact CA-O 3.4Å; V13-L285 HydrophobicContact CB-CB 4.25Å; V13-L285 PolarHBondContact N-O 2.96Å; V13-L285 PolarHBondContact O-N 3.26Å; V15-L285 HydrophobicContact CG2-CB 4.11Å; V15-L285 HydrophobicContact CG2-CD2 4.35Å; L238-L285 HydrophobicContact CD2-CD1 3.7Å; L238-L285 HydrophobicContact CD2-CD2 3.67Å; L238-L285 HydrophobicContact CD2-CG 4.36Å; L285-I287 HydrophobicContact CD1-CG1 4.07Å; L285-I287 HydrophobicContact CD2-CD1 3.9Å; L285-I287 HydrophobicContact CD2-CG1 4.18Å; L285-I287 HydrophobicContact CG-CD1 4.11Å; L285-I287 HydrophobicContact CG-CG1 3.83Å; L285-F292 HydrophobicContact CD1-CB 4.11Å; L285-F292 HydrophobicContact CD1-CD2 3.91Å; L285-F292 HydrophobicContact CD1-CG 4.41Å; L285-K293 WeakPolarHBondContact CA-O 3.22Å; L285-V294 HydrophobicContact CD1-CG2 3.93Å |
| 286 | E | 96.4 | Very high | 94.9 | Very high | 8 Ų | 8 | 38.9 Ų | 38.9 | 4% | 0.037 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 119.9 | 173.1 | -56.5 | -171.3 | 123.5 | 0 | 0 | 108.8 | V10 L11 R12 L284 F292 K293 F764 | V10-E286 HydrophobicContact CG1-CB 3.89Å; L11-E286 CarbonylContact O-C 3.59Å; L11-E286 WeakPolarHBondContact O-CA 3.35Å; R12-E286 HydrophobicContact CG-CG 4.23Å; R12-E286 IonicContact CZ-OE1 3.58Å; R12-E286 IonicContact NE-OE1 2.62Å; R12-E286 PolarHBondContact NE-OE1 3.44Å; R12-E286 IonicContact NH2-OE1 2.77Å; R12-E286 PolarHBondContact NH2-OE1 3.28Å; L284-E286 HydrophobicContact CG-CG 4.49Å; E286-F292 CarbonylContact O-C 3.57Å; E286-F292 WeakPolarHBondContact O-CA 3.4Å; E286-K293 HydrophobicContact CB-CB 4.38Å; E286-K293 PolarHBondContact N-O 2.98Å; E286-K293 PolarHBondContact O-N 3.05Å; E286-F764 HydrophobicContact CB-CE1 4.37Å |
| 287 | I | 95.9 | Very high | 94.9 | Very high | 2 Ų | 2 | 39.5 Ų | 39.5 | 1% | 0.01 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 129.7 | -178.6 | -52.2 | 168.7 | 0 | 0 | 0 | 108.8 | V10 L11 T172 V174 F209 V211 L285 F292 | V10-I287 WeakPolarHBondContact CA-O 3.49Å; L11-I287 HydrophobicContact CB-CB 4.4Å; L11-I287 PolarHBondContact N-O 3Å; L11-I287 PolarHBondContact O-N 2.82Å; T172-I287 HydrophobicContact CG2-CG2 4.03Å; V174-I287 HydrophobicContact CG1-CD1 4.32Å; V174-I287 HydrophobicContact CG2-CB 4.47Å; V174-I287 HydrophobicContact CG2-CD1 3.97Å; V174-I287 HydrophobicContact CG2-CG2 4Å; F209-I287 HydrophobicContact CB-CG2 4.18Å; F209-I287 HydrophobicContact CD1-CD1 3.87Å; F209-I287 HydrophobicContact CD1-CG1 4.29Å; F209-I287 HydrophobicContact CD1-CG2 3.67Å; F209-I287 HydrophobicContact CD2-CG2 4.49Å; F209-I287 HydrophobicContact CE1-CD1 3.89Å; F209-I287 HydrophobicContact CE1-CG1 4.1Å; F209-I287 HydrophobicContact CE1-CG2 4.13Å; F209-I287 HydrophobicContact CG-CG2 3.87Å; V211-I287 HydrophobicContact CG2-CD1 4.23Å; L285-I287 HydrophobicContact CD1-CG1 4.07Å; L285-I287 HydrophobicContact CD2-CD1 3.9Å; L285-I287 HydrophobicContact CD2-CG1 4.18Å; L285-I287 HydrophobicContact CG-CD1 4.11Å; L285-I287 HydrophobicContact CG-CG1 3.83Å; I287-F292 HydrophobicContact CG1-CB 4.43Å |
| 288 | R | 93.9 | Very high | 95 | Very high | 105 Ų | 105 | 42 Ų | 42 | 40% | 0.396 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 111.8 | 172.9 | -178.2 | -175.7 | 174.9 | 180 | 1.8 | 109.1 | V10 K290 E291 F764 | V10-R288 HydrophobicContact CG2-CB 4.35Å; R288-K290 PolarHBondContact O-N 2.87Å; R288-E291 PolarHBondContact N-O 2.84Å; R288-E291 PolarHBondContact O-N 3.05Å; R288-E291 VanDerWaalsContact O-O 3.1Å; R288-F764 HydrophobicContact CB-CE1 3.78Å; R288-F764 HydrophobicContact CB-CE2 3.93Å; R288-F764 HydrophobicContact CB-CZ 3.46Å; R288-F764 VanDerWaalsContact CB-CZ 3.46Å; R288-F764 HydrophobicContact CG-CE2 4.38Å; R288-F764 HydrophobicContact CG-CZ 4.32Å |
| 289 | E | 91.4 | Very high | 95.1 | Very high | 98 Ų | 98 | 39.4 Ų | 39.4 | 46% | 0.458 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51 | -104.6 | -174.3 | -60 | 173.1 | -166.6 | 0 | 0 | 111 | T172 F209 | T172-E289 PolarHBondContact OG1-N 3.05Å; F209-E289 WeakPolarHBondContact CB-O 3.41Å |
| 290 | K | 90.3 | Very high | 94.9 | Very high | 68 Ų | 68 | 40.1 Ų | 40.1 | 30% | 0.296 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.2 | -0.6 | 177.2 | -69.1 | -169.3 | 178.5 | -174.2 | 0 | 114.9 | D206 R288 | D206-K290 WeakPolarHBondContact O-CE 3.39Å; D206-K290 PolarHBondContact O-NZ 3.06Å; R288-K290 PolarHBondContact O-N 2.87Å |
| 291 | E | 93.1 | Very high | 94.8 | Very high | 53 Ų | 53 | 39.8 Ų | 39.8 | 25% | 0.248 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 144.9 | 179.4 | -63.7 | 178.7 | 174.1 | 0 | 0 | 108.4 | R288 F764 F766 R767 | R288-E291 PolarHBondContact N-O 2.84Å; R288-E291 PolarHBondContact O-N 3.05Å; R288-E291 VanDerWaalsContact O-O 3.1Å; E291-F764 HydrophobicContact CB-CB 4.02Å; E291-F764 HydrophobicContact CB-CD1 4.34Å; E291-F764 HydrophobicContact CB-CG 4.25Å; E291-F766 WeakPolarHBondContact CA-O 3.31Å; E291-R767 HydrophobicContact CG-CB 4.15Å; E291-R767 HydrophobicContact CG-CG 4.12Å; E291-R767 WeakPolarHBondContact OE1-CD 3.14Å; E291-R767 IonicContact OE1-CZ 2.75Å; E291-R767 IonicContact OE1-NE 3.17Å; E291-R767 IonicContact OE1-NH1 2.79Å |
| 292 | F | 95.2 | Very high | 94.7 | Very high | 5 Ų | 5 | 40.8 Ų | 40.8 | 2% | 0.022 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 156.2 | 178.8 | 74.5 | -82.5 | 0 | 0 | 0 | 110.9 | F209 L238 P251 Y260 L285 E286 I287 V294 F766 | F209-F292 HydrophobicContact CE1-CB 4.42Å; F209-F292 HydrophobicContact CE2-CB 4.23Å; F209-F292 AromaticContact CE2-CD1 3.66Å; F209-F292 HydrophobicContact CE2-CD1 3.66Å; F209-F292 HydrophobicContact CE2-CE1 4.46Å; F209-F292 HydrophobicContact CE2-CG 4.25Å; F209-F292 HydrophobicContact CZ-CB 3.77Å; F209-F292 AromaticContact CZ-CD1 3.52Å; F209-F292 HydrophobicContact CZ-CD1 3.52Å; F209-F292 HydrophobicContact CZ-CE1 4.31Å; F209-F292 AromaticContact CZ-CG 3.74Å; F209-F292 HydrophobicContact CZ-CG 3.74Å; L238-F292 HydrophobicContact CD1-CE2 4.1Å; L238-F292 HydrophobicContact CD1-CZ 4.3Å; L238-F292 HydrophobicContact CD2-CD2 4.4Å; P251-F292 HydrophobicContact CB-CE2 4.27Å; Y260-F292 HydrophobicContact CD1-CZ 4.34Å; Y260-F292 AromaticContact CD2-CE1 3.59Å; Y260-F292 HydrophobicContact CD2-CE1 3.59Å; Y260-F292 AromaticContact CD2-CZ 3.46Å; Y260-F292 HydrophobicContact CD2-CZ 3.46Å; Y260-F292 VanDerWaalsContact CD2-CZ 3.46Å; Y260-F292 AromaticContact CE2-CE1 3.92Å; Y260-F292 HydrophobicContact CE2-CE1 3.92Å; Y260-F292 HydrophobicContact CE2-CZ 4Å; Y260-F292 HydrophobicContact CG-CE1 4.26Å; Y260-F292 AromaticContact CG-CZ 3.65Å; Y260-F292 HydrophobicContact CG-CZ 3.65Å; L285-F292 HydrophobicContact CD1-CB 4.11Å; L285-F292 HydrophobicContact CD1-CD2 3.91Å; L285-F292 HydrophobicContact CD1-CG 4.41Å; E286-F292 CarbonylContact O-C 3.57Å; E286-F292 WeakPolarHBondContact O-CA 3.4Å; I287-F292 HydrophobicContact CG1-CB 4.43Å; F292-V294 HydrophobicContact CD2-CG2 3.85Å; F292-V294 HydrophobicContact CE2-CG2 3.85Å; F292-F766 HydrophobicContact CD1-CB 4.08Å; F292-F766 HydrophobicContact CE1-CB 3.59Å; F292-F766 HydrophobicContact CE1-CG 4.37Å; F292-F766 HydrophobicContact CE2-CB 4.37Å; F292-F766 HydrophobicContact CE2-CD2 4.1Å; F292-F766 HydrophobicContact CE2-CG 4.44Å; F292-F766 HydrophobicContact CZ-CB 3.74Å; F292-F766 HydrophobicContact CZ-CD2 4.14Å; F292-F766 HydrophobicContact CZ-CG 4.02Å; F292-F766 PolarHBondContact N-O 3.34Å |
| 293 | K | 94.7 | Very high | 94.5 | Very high | 47 Ų | 47 | 41.4 Ų | 41.4 | 20% | 0.204 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 133 | 176.6 | -178.9 | 177.2 | -171.9 | 158 | 0 | 109.1 | L285 E286 D763 F764 | L285-K293 WeakPolarHBondContact CA-O 3.22Å; E286-K293 HydrophobicContact CB-CB 4.38Å; E286-K293 PolarHBondContact N-O 2.98Å; E286-K293 PolarHBondContact O-N 3.05Å; K293-D763 PolarHBondContact NZ-O 3.09Å; K293-F764 HydrophobicContact CB-CD1 4.01Å; K293-F764 HydrophobicContact CB-CE1 4.34Å |
| 294 | V | 95.8 | Very high | 94.3 | Very high | 25 Ų | 25 | 42.2 Ų | 42.2 | 15% | 0.152 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 115.6 | 176 | -178.6 | 0 | 0 | 0 | 0 | 108.3 | V249 P251 V262 A283 L285 F292 | V249-V294 HydrophobicContact CG1-CG1 4.26Å; P251-V294 HydrophobicContact CG-CB 4.49Å; P251-V294 HydrophobicContact CG-CG2 4.47Å; V262-V294 HydrophobicContact CG2-CG2 4.23Å; A283-V294 HydrophobicContact CB-CG1 3.96Å; L285-V294 HydrophobicContact CD1-CG2 3.93Å; F292-V294 HydrophobicContact CD2-CG2 3.85Å; F292-V294 HydrophobicContact CE2-CG2 3.85Å |
| 295 | T | 95.8 | Very high | 94.2 | Very high | 48 Ų | 48 | 42.7 Ų | 42.7 | 29% | 0.294 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 122.6 | 174.6 | -55.3 | 0 | 0 | 0 | 0 | 109.2 | L284 L297 | L284-T295 PolarHBondContact N-O 3.3Å; L284-T295 PolarHBondContact O-N 3.43Å; T295-L297 HydrophobicContact CG2-CD2 4.31Å; T295-L297 PolarHBondContact O-N 2.86Å |
| 296 | R | 96 | Very high | 94 | Very high | 112 Ų | 112 | 44.6 Ų | 44.6 | 42% | 0.423 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 122.9 | 175.2 | -176.6 | 179.2 | 178.4 | -128.1 | -0.8 | 110.4 | V249 D279 A281 | V249-R296 HydrophobicContact CB-CG 4.35Å; V249-R296 HydrophobicContact CG1-CB 4.02Å; V249-R296 HydrophobicContact CG1-CG 4.08Å; D279-R296 PolarHBondContact O-NH2 3.48Å; A281-R296 HydrophobicContact CB-CG 3.56Å |
| 297 | L | 94.8 | Very high | 93.8 | Very high | 18 Ų | 18 | 46 Ų | 46 | 9% | 0.094 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 104.1 | 174.5 | -60.5 | -177.5 | 0 | 0 | 0 | 109.6 | L14 A281 V282 L284 T295 | L14-L297 HydrophobicContact CD1-CD1 3.98Å; A281-L297 CarbonylContact C-O 3.59Å; A281-L297 VanDerWaalsContact CA-O 3.27Å; A281-L297 WeakPolarHBondContact CA-O 3.45Å; A281-L297 WeakPolarHBondContact CB-O 3.41Å; V282-L297 HydrophobicContact CG2-CB 3.81Å; V282-L297 HydrophobicContact CG2-CD1 4.4Å; V282-L297 PolarHBondContact N-O 2.78Å; V282-L297 PolarHBondContact O-N 3.09Å; L284-L297 HydrophobicContact CB-CD1 3.86Å; L284-L297 HydrophobicContact CB-CG 4.14Å; T295-L297 HydrophobicContact CG2-CD2 4.31Å; T295-L297 PolarHBondContact O-N 2.86Å |
| 298 | P | 94.5 | Very high | 93.7 | Very high | 80 Ų | 80 | 49.3 Ų | 49.3 | 52% | 0.519 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 140.9 | -178.5 | 28.5 | -34.3 | 0 | 0 | 0 | 111.7 | ||
| 299 | L | 94.5 | Very high | 93.5 | Very high | 17 Ų | 17 | 48 Ų | 48 | 9% | 0.089 | 23% | 0.23 | C | C | . | . | trans | -89 | 128.7 | 176.8 | -64.1 | 169.7 | 0 | 0 | 0 | 110.5 | T37 E40 I41 L44 K280 V282 V302 | T37-L299 HydrophobicContact CG2-CB 4.49Å; T37-L299 HydrophobicContact CG2-CD1 3.79Å; T37-L299 HydrophobicContact CG2-CD2 4.41Å; T37-L299 HydrophobicContact CG2-CG 4.47Å; E40-L299 HydrophobicContact CG-CD2 4.18Å; I41-L299 HydrophobicContact CG1-CD2 3.75Å; L44-L299 HydrophobicContact CD1-CD2 4.01Å; K280-L299 HydrophobicContact CB-CD1 4.34Å; K280-L299 PolarHBondContact O-N 3.13Å; K280-L299 VanDerWaalsContact O-N 3.11Å; V282-L299 HydrophobicContact CG1-CD1 4.25Å; V282-L299 HydrophobicContact CG1-CD2 4.16Å; V282-L299 HydrophobicContact CG1-CG 4.42Å; V282-L299 HydrophobicContact CG2-CD2 4.43Å; L299-V302 HydrophobicContact CB-CG2 3.54Å; L299-V302 HydrophobicContact CD1-CG2 4.05Å; L299-V302 HydrophobicContact CG-CG2 4.46Å | ||
| 300 | R | 90.8 | Very high | 93.4 | Very high | 130 Ų | 130 | 43.4 Ų | 43.4 | 49% | 0.491 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -92.9 | -27.8 | -175.6 | -58.9 | -179.5 | 179.1 | -177.8 | 0.1 | 113.5 | E40 V302 E356 L384 P386 | E40-R300 VanDerWaalsContact CD-N 3.32Å; E40-R300 WeakPolarHBondContact OE1-CB 3.42Å; E40-R300 PolarHBondContact OE1-N 3.11Å; E40-R300 PolarHBondContact OE2-N 3.39Å; E40-R300 VanDerWaalsContact OE2-N 3.14Å; R300-V302 VanDerWaalsContact C-N 3.27Å; R300-V302 PolarHBondContact O-N 2.82Å; R300-E356 IonicContact NH1-OE1 2.8Å; R300-E356 PolarHBondContact NH1-OE1 2.64Å; R300-E356 VanDerWaalsContact NH1-OE1 3.11Å; R300-L384 WeakPolarHBondContact CB-O 3.27Å; R300-P386 WeakPolarHBondContact O-CA 3.46Å; R300-P386 WeakPolarHBondContact O-CB 3.46Å; R300-P386 WeakPolarHBondContact O-CD 3.38Å |
| 301 | T | 92.7 | Very high | 93.2 | Very high | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.006 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -81.8 | -8.5 | -177.4 | 61.7 | 0 | 0 | 0 | 0 | 113.3 | T37 E40 R303 L384 P387 | T37-T301 WeakPolarHBondContact CA-OG1 3.2Å; T37-T301 WeakPolarHBondContact CB-OG1 3.14Å; T37-T301 PolarHBondContact OG1-OG1 2.87Å; E40-T301 HydrophobicContact CB-CG2 4.04Å; E40-T301 HydrophobicContact CG-CG2 4.4Å; E40-T301 VanDerWaalsContact OE2-CB 3.27Å; E40-T301 WeakPolarHBondContact OE2-CB 3.47Å; E40-T301 VanDerWaalsContact OE2-CG2 3.32Å; E40-T301 WeakPolarHBondContact OE2-CG2 3.26Å; E40-T301 PolarHBondContact OE2-N 3.19Å; E40-T301 PolarHBondContact OE2-OG1 2.8Å; T301-R303 PolarHBondContact O-N 2.81Å; T301-L384 HydrophobicContact CG2-CB 4.11Å; T301-L384 HydrophobicContact CG2-CD2 3.64Å; T301-P387 VanDerWaalsContact O-CD 3.28Å; T301-P387 WeakPolarHBondContact O-CD 3.39Å |
| 302 | V | 94.2 | Very high | 92.6 | Very high | 25 Ų | 25 | 41 Ų | 41 | 15% | 0.152 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -64.2 | 131.4 | 178.7 | 173.5 | 0 | 0 | 0 | 0 | 109.9 | T37 S267 K280 L299 R300 P304 | T37-V302 HydrophobicContact CG2-CG2 3.8Å; S267-V302 WeakPolarHBondContact O-CG2 3.36Å; K280-V302 HydrophobicContact CB-CG1 4.38Å; K280-V302 HydrophobicContact CB-CG2 4.16Å; K280-V302 HydrophobicContact CD-CG1 3.76Å; K280-V302 HydrophobicContact CD-CG2 4.33Å; K280-V302 HydrophobicContact CG-CG1 4.31Å; L299-V302 HydrophobicContact CB-CG2 3.54Å; L299-V302 HydrophobicContact CD1-CG2 4.05Å; L299-V302 HydrophobicContact CG-CG2 4.46Å; R300-V302 VanDerWaalsContact C-N 3.27Å; R300-V302 PolarHBondContact O-N 2.82Å; V302-P304 WeakPolarHBondContact O-CD 3.28Å |
| 303 | R | 93.6 | Very high | 91.7 | Very high | 14 Ų | 14 | 44.7 Ų | 44.7 | 5% | 0.053 | 22% | 0.217 | C | C | . | . | P | Polyproline II helix | trans | -64.7 | 125.5 | 175.9 | -172.5 | 172.7 | -61.9 | -92.4 | 0.1 | 110 | L29 D33 T301 F305 P387 E389 L391 | L29-R303 PolarHBondContact O-NH2 3.35Å; D33-R303 IonicContact OD1-CZ 2.69Å; D33-R303 IonicContact OD1-NE 2.76Å; D33-R303 IonicContact OD1-NH2 2.76Å; D33-R303 PolarHBondContact OD1-NH2 3.07Å; D33-R303 IonicContact OD2-CZ 2.83Å; D33-R303 IonicContact OD2-NE 3.51Å; D33-R303 PolarHBondContact OD2-NE 3.27Å; D33-R303 IonicContact OD2-NH2 3.1Å; D33-R303 PolarHBondContact OD2-NH2 3.31Å; T301-R303 PolarHBondContact O-N 2.81Å; R303-F305 PolarHBondContact O-N 3.13Å; R303-P387 HydrophobicContact CB-CG 4.2Å; R303-P387 HydrophobicContact CG-CB 4.37Å; R303-P387 HydrophobicContact CG-CG 4.5Å; R303-P387 VanDerWaalsContact NH1-CB 3.32Å; R303-E389 VanDerWaalsContact CD-O 3.31Å; R303-E389 WeakPolarHBondContact CD-O 3.37Å; R303-E389 WeakPolarHBondContact CG-O 3.22Å; R303-E389 PolarHBondContact NH1-O 2.82Å; R303-E389 IonicContact NH1-OE2 3.24Å; R303-L391 HydrophobicContact CG-CD1 4.46Å; R303-L391 HydrophobicContact CG-CG 4.21Å |
| 304 | P | 92.7 | Very high | 90.7 | Very high | 18 Ų | 18 | 47.5 Ų | 47.5 | 12% | 0.117 | 23% | 0.234 | C | C | . | . | P | Polyproline II helix | trans | -57.1 | 128.9 | 177.8 | -24.7 | 33.6 | 0 | 0 | 0 | 111 | V302 F348 P386 P390 L391 | V302-P304 WeakPolarHBondContact O-CD 3.28Å; P304-F348 HydrophobicContact CG-CD1 4.44Å; P304-P386 HydrophobicContact CG-CB 4.36Å; P304-P390 HydrophobicContact CB-CB 4.34Å; P304-P390 WeakPolarHBondContact O-CA 3.35Å; P304-L391 PolarHBondContact O-N 2.92Å |
| 305 | F | 94.5 | Very high | 89.5 | Confident | 18 Ų | 18 | 52.6 Ų | 52.6 | 8% | 0.079 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 118.8 | 178.7 | 176.5 | -150.1 | 0 | 0 | 0 | 110.6 | A269 L272 S273 E276 A277 R303 F307 L391 R393 | A269-F305 HydrophobicContact CB-CD1 4.18Å; L272-F305 VanDerWaalsContact CA-CZ 3.47Å; L272-F305 HydrophobicContact CB-CE2 4.38Å; L272-F305 HydrophobicContact CB-CZ 3.9Å; L272-F305 HydrophobicContact CD2-CD2 4.18Å; L272-F305 HydrophobicContact CD2-CE1 4.35Å; L272-F305 HydrophobicContact CD2-CE2 3.7Å; L272-F305 HydrophobicContact CD2-CZ 3.81Å; L272-F305 HydrophobicContact CG-CZ 4.48Å; S273-F305 WeakPolarHBondContact O-CE1 3.48Å; E276-F305 HydrophobicContact CB-CD1 4.27Å; E276-F305 HydrophobicContact CB-CE1 3.99Å; A277-F305 VanDerWaalsContact CA-CD1 3.46Å; A277-F305 HydrophobicContact CB-CD1 3.76Å; A277-F305 HydrophobicContact CB-CE1 3.8Å; A277-F305 HydrophobicContact CB-CG 4.27Å; A277-F305 HydrophobicContact CB-CZ 4.34Å; R303-F305 PolarHBondContact O-N 3.13Å; F305-F307 HydrophobicContact CE2-CB 4.36Å; F305-F307 HydrophobicContact CZ-CB 4.13Å; F305-F307 HydrophobicContact CZ-CD2 4.03Å; F305-L391 WeakPolarHBondContact CA-O 3.5Å; F305-L391 HydrophobicContact CB-CB 4.07Å; F305-L391 HydrophobicContact CD2-CB 3.65Å; F305-L391 HydrophobicContact CG-CB 4.1Å; F305-R393 HydrophobicContact CE2-CB 3.76Å; F305-R393 HydrophobicContact CZ-CB 4.15Å |
| 306 | L | 92.7 | Very high | 88 | Confident | 45 Ų | 45 | 50.9 Ų | 50.9 | 24% | 0.236 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 117.6 | 179.2 | -61.2 | 173 | 0 | 0 | 0 | 110.1 | E341 A345 L391 I392 R393 | L306-E341 HydrophobicContact CD1-CB 3.71Å; L306-E341 HydrophobicContact CD1-CG 4.41Å; L306-E341 VanDerWaalsContact CD1-O 3.28Å; L306-E341 WeakPolarHBondContact CD1-O 3.34Å; L306-A345 HydrophobicContact CD1-CB 4.11Å; L306-L391 PolarHBondContact N-O 2.84Å; L306-I392 HydrophobicContact CB-CG1 4.46Å; L306-I392 CarbonylContact O-C 2.95Å; L306-I392 WeakPolarHBondContact O-CA 3.32Å; L306-R393 PolarHBondContact O-N 2.84Å |
| 307 | F | 93.4 | Very high | 86.1 | Confident | 38 Ų | 38 | 50.4 Ų | 50.4 | 17% | 0.167 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 131.3 | 174.5 | -172 | -84.1 | 0 | 0 | 0 | 110.1 | E274 A277 F305 D309 R393 R395 | E274-F307 HydrophobicContact CB-CD1 4.08Å; E274-F307 HydrophobicContact CB-CE1 4.13Å; E274-F307 HydrophobicContact CG-CD1 4.39Å; A277-F307 HydrophobicContact CB-CB 3.64Å; F305-F307 HydrophobicContact CE2-CB 4.36Å; F305-F307 HydrophobicContact CZ-CB 4.13Å; F305-F307 HydrophobicContact CZ-CD2 4.03Å; F307-D309 VanDerWaalsContact CE1-OD1 3.31Å; F307-D309 WeakPolarHBondContact CE1-OD1 3.28Å; F307-R393 WeakPolarHBondContact CA-O 3.17Å; F307-R393 HydrophobicContact CD2-CB 3.83Å; F307-R393 HydrophobicContact CD2-CG 3.77Å; F307-R393 HydrophobicContact CE2-CB 4.33Å; F307-R393 HydrophobicContact CE2-CG 3.73Å; F307-R395 HydrophobicContact CZ-CB 4.13Å |
| 308 | K | 92.6 | Very high | 84.3 | Confident | 70 Ų | 70 | 59 Ų | 59 | 30% | 0.304 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 137.9 | 177.7 | -75.8 | -166.1 | 162.6 | -165.7 | 0 | 112.6 | E341 R393 L394 R395 | K308-E341 HydrophobicContact CD-CG 3.91Å; K308-E341 WeakPolarHBondContact CE-OE1 3.26Å; K308-E341 VanDerWaalsContact CE-OE2 3.3Å; K308-E341 WeakPolarHBondContact CE-OE2 3.4Å; K308-E341 IonicContact NZ-OE1 3.53Å; K308-E341 PolarHBondContact NZ-OE1 3.37Å; K308-E341 IonicContact NZ-OE2 2.91Å; K308-R393 PolarHBondContact N-O 3.27Å; K308-L394 HydrophobicContact CB-CD1 3.85Å; K308-L394 CarbonylContact O-C 3.58Å; K308-L394 WeakPolarHBondContact O-CA 3.41Å; K308-R395 PolarHBondContact O-N 2.82Å |
| 309 | D | 91.1 | Very high | 82.5 | Confident | 78 Ų | 78 | 57.1 Ų | 57.1 | 42% | 0.417 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 136.8 | 168.1 | -73.8 | -21.2 | 0 | 0 | 0 | 111 | F307 R395 | F307-D309 VanDerWaalsContact CE1-OD1 3.31Å; F307-D309 WeakPolarHBondContact CE1-OD1 3.28Å; D309-R395 WeakPolarHBondContact CA-O 3.47Å; D309-R395 VanDerWaalsContact CG-NH2 3.27Å; D309-R395 WeakPolarHBondContact OD1-CB 3.33Å; D309-R395 IonicContact OD1-CZ 3.69Å; D309-R395 VanDerWaalsContact OD1-CZ 3.25Å; D309-R395 IonicContact OD1-NE 3.6Å; D309-R395 PolarHBondContact OD1-NE 2.88Å; D309-R395 IonicContact OD1-NH2 3.81Å; D309-R395 PolarHBondContact OD1-NH2 2.83Å; D309-R395 VanDerWaalsContact OD1-NH2 3.09Å; D309-R395 IonicContact OD2-CZ 2.79Å; D309-R395 IonicContact OD2-NE 3.42Å; D309-R395 IonicContact OD2-NH2 3.77Å; D309-R395 PolarHBondContact OD2-NH2 2.91Å |
| 310 | L | 88.5 | Confident | 80.8 | Confident | 2 Ų | 2 | 62.3 Ų | 62.3 | 1% | 0.01 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 110 | 176.3 | -175 | 134.2 | 0 | 0 | 0 | 110.1 | L312 Y315 I333 L337 L394 R395 V396 D397 | L310-L312 HydrophobicContact CD2-CD2 3.3Å; L310-L312 HydrophobicContact CD2-CG 3.77Å; L310-Y315 HydrophobicContact CD1-CD2 4.12Å; L310-Y315 HydrophobicContact CD1-CE2 4.02Å; L310-Y315 HydrophobicContact CG-CD2 3.93Å; L310-Y315 HydrophobicContact CG-CE2 3.91Å; L310-I333 HydrophobicContact CD1-CG2 4.16Å; L310-L337 HydrophobicContact CD1-CD1 3.09Å; L310-L394 HydrophobicContact CB-CD1 4.05Å; L310-R395 PolarHBondContact N-O 3.5Å; L310-V396 HydrophobicContact CB-CG2 4.46Å; L310-V396 HydrophobicContact CD2-CG1 3.9Å; L310-V396 HydrophobicContact CD2-CG2 4.35Å; L310-V396 CarbonylContact O-C 3.58Å; L310-V396 WeakPolarHBondContact O-CA 3.14Å; L310-D397 PolarHBondContact O-N 2.82Å |
| 311 | I | 85.6 | Confident | 79.4 | Confident | 69 Ų | 69 | 58.9 Ų | 58.9 | 35% | 0.354 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 106.7 | 172.7 | -58.5 | 173.3 | 0 | 0 | 0 | 107.7 | Q313 D314 Y315 | I311-Q313 HydrophobicContact CG2-CB 4.21Å; I311-Q313 PolarHBondContact O-N 2.75Å; I311-Q313 VanDerWaalsContact O-N 3.15Å; I311-D314 WeakPolarHBondContact CB-OD2 3.46Å; I311-D314 PolarHBondContact O-N 2.85Å; I311-D314 VanDerWaalsContact O-N 3.14Å; I311-Y315 WeakPolarHBondContact O-CD2 3.31Å |
| 312 | L | 81.1 | Confident | 77.7 | Confident | 1 Ų | 1 | 65.5 Ų | 65.5 | 1% | 0.005 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.1 | -30.3 | -174.6 | -74.2 | 174 | 0 | 0 | 0 | 113.4 | L310 D314 Y315 V316 I330 V396 D397 L398 F402 | L310-L312 HydrophobicContact CD2-CD2 3.3Å; L310-L312 HydrophobicContact CD2-CG 3.77Å; L312-D314 PolarHBondContact O-N 3.48Å; L312-Y315 PolarHBondContact O-N 2.79Å; L312-V316 WeakPolarHBondContact O-CB 3.22Å; L312-V316 VanDerWaalsContact O-CG2 3.25Å; L312-V316 WeakPolarHBondContact O-CG2 3.49Å; L312-V316 PolarHBondContact O-N 3.43Å; L312-I330 HydrophobicContact CD1-CD1 4.1Å; L312-I330 HydrophobicContact CD1-CG2 4.41Å; L312-I330 HydrophobicContact CD2-CD1 4.45Å; L312-I330 HydrophobicContact CD2-CG1 4.14Å; L312-I330 HydrophobicContact CD2-CG2 3.74Å; L312-V396 HydrophobicContact CD1-CG1 3.71Å; L312-V396 HydrophobicContact CD2-CG1 4.04Å; L312-V396 HydrophobicContact CG-CG1 3.68Å; L312-D397 PolarHBondContact N-O 3.03Å; L312-L398 HydrophobicContact CD1-CD2 3.49Å; L312-L398 VanDerWaalsContact CD1-CD2 3.49Å; L312-F402 HydrophobicContact CB-CD2 3.61Å; L312-F402 HydrophobicContact CB-CE2 3.55Å; L312-F402 HydrophobicContact CB-CG 4.33Å; L312-F402 HydrophobicContact CB-CZ 4.22Å; L312-F402 HydrophobicContact CD1-CB 3.78Å; L312-F402 HydrophobicContact CD1-CD2 3.73Å; L312-F402 HydrophobicContact CD1-CE2 4.49Å; L312-F402 HydrophobicContact CD1-CG 3.81Å; L312-F402 HydrophobicContact CG-CD2 4.35Å |
| 313 | Q | 75.3 | Confident | 76.3 | Confident | 82 Ų | 82 | 66 Ų | 66 | 38% | 0.383 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -59.1 | -35.8 | 179.7 | -63.7 | -179.9 | 10 | 0 | 0 | 112 | I311 P317 F402 | I311-Q313 HydrophobicContact CG2-CB 4.21Å; I311-Q313 PolarHBondContact O-N 2.75Å; I311-Q313 VanDerWaalsContact O-N 3.15Å; Q313-P317 WeakPolarHBondContact O-CD 3.15Å; Q313-F402 HydrophobicContact CG-CE2 4.15Å |
| 314 | D | 75.2 | Confident | 75 | Confident | 107 Ų | 107 | 75 Ų | 75 | 57% | 0.572 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -78.1 | -30.8 | -175.3 | -59.5 | -16.6 | 0 | 0 | 0 | 112.8 | I311 L312 P317 | I311-D314 WeakPolarHBondContact CB-OD2 3.46Å; I311-D314 PolarHBondContact O-N 2.85Å; I311-D314 VanDerWaalsContact O-N 3.14Å; L312-D314 PolarHBondContact O-N 3.48Å; D314-P317 WeakPolarHBondContact O-CD 3.36Å; D314-P317 WeakPolarHBondContact O-CG 3.17Å |
| 315 | Y | 69 | Low | 74.2 | Confident | 132 Ų | 132 | 77.1 Ų | 77.1 | 52% | 0.518 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -86.4 | -20.7 | 177.2 | -68.9 | -83.9 | 0 | 0 | 0 | 112.6 | L310 I311 L312 | L310-Y315 HydrophobicContact CD1-CD2 4.12Å; L310-Y315 HydrophobicContact CD1-CE2 4.02Å; L310-Y315 HydrophobicContact CG-CD2 3.93Å; L310-Y315 HydrophobicContact CG-CE2 3.91Å; I311-Y315 WeakPolarHBondContact O-CD2 3.31Å; L312-Y315 PolarHBondContact O-N 2.79Å |
| 316 | V | 64.4 | Low | 73.4 | Confident | 11 Ų | 11 | 76.6 Ų | 76.6 | 7% | 0.067 | 39% | 0.387 | C | S | . | . | trans | -115.3 | 40.1 | -175.6 | -168.7 | 0 | 0 | 0 | 0 | 114.5 | L312 K318 L319 F402 | L312-V316 WeakPolarHBondContact O-CB 3.22Å; L312-V316 VanDerWaalsContact O-CG2 3.25Å; L312-V316 WeakPolarHBondContact O-CG2 3.49Å; L312-V316 PolarHBondContact O-N 3.43Å; V316-K318 PolarHBondContact O-N 2.79Å; V316-L319 HydrophobicContact CG1-CB 3.4Å; V316-L319 VanDerWaalsContact CG1-CB 3.4Å; V316-L319 HydrophobicContact CG1-CD1 3.61Å; V316-L319 HydrophobicContact CG1-CG 3.72Å; V316-L319 HydrophobicContact CG2-CD1 4.33Å; V316-F402 HydrophobicContact CB-CE1 4.25Å; V316-F402 HydrophobicContact CB-CZ 4.05Å; V316-F402 HydrophobicContact CG1-CE1 3.89Å; V316-F402 HydrophobicContact CG1-CZ 4.11Å | ||
| 317 | P | 57.5 | Low | 72.9 | Confident | 103 Ų | 103 | 76.2 Ų | 76.2 | 67% | 0.669 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -4.3 | 168.9 | -20.6 | 30.9 | 0 | 0 | 0 | 114.6 | Q313 D314 | Q313-P317 WeakPolarHBondContact O-CD 3.15Å; D314-P317 WeakPolarHBondContact O-CD 3.36Å; D314-P317 WeakPolarHBondContact O-CG 3.17Å |
| 318 | K | 56.2 | Low | 72.5 | Confident | 199 Ų | 199 | 82.9 Ų | 82.9 | 87% | 0.865 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.6 | 7 | -171.8 | -65.1 | -175.1 | -179.4 | 178.4 | 0 | 115.4 | V316 | V316-K318 PolarHBondContact O-N 2.79Š|
| 319 | L | 57.6 | Low | 72 | Confident | 39 Ų | 39 | 84.9 Ų | 84.9 | 20% | 0.204 | 42% | 0.417 | C | S | . | . | S | Bend | trans | -117.7 | 125.3 | 176.9 | -52.7 | 166.3 | 0 | 0 | 0 | 108.9 | V316 P321 R329 | V316-L319 HydrophobicContact CG1-CB 3.4Å; V316-L319 VanDerWaalsContact CG1-CB 3.4Å; V316-L319 HydrophobicContact CG1-CD1 3.61Å; V316-L319 HydrophobicContact CG1-CG 3.72Å; V316-L319 HydrophobicContact CG2-CD1 4.33Å; L319-P321 WeakPolarHBondContact O-CD 3.41Å; L319-R329 HydrophobicContact CD1-CB 4.16Å |
| 320 | D | 58.8 | Low | 71.8 | Confident | 126 Ų | 126 | 81.2 Ų | 81.2 | 67% | 0.674 | 40% | 0.397 | S | S | * | . | trans | -55.1 | 124.7 | 166.7 | -73.4 | -40.5 | 0 | 0 | 0 | 108.1 | N322 A323 V326 | D320-N322 PolarHBondContact O-N 2.79Å; D320-A323 PolarHBondContact O-N 3.29Å; D320-V326 VanDerWaalsContact O-CG2 3.25Å; D320-V326 WeakPolarHBondContact O-CG2 3.36Å | ||
| 321 | P | 59.9 | Low | 71.8 | Confident | 58 Ų | 58 | 83.4 Ų | 83.4 | 38% | 0.377 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -11.9 | 177.4 | 21 | -30.1 | 0 | 0 | 0 | 112.6 | L319 | L319-P321 WeakPolarHBondContact O-CD 3.41Š|
| 322 | N | 57.5 | Low | 71.9 | Confident | 140 Ų | 140 | 82.6 Ų | 82.6 | 75% | 0.749 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.8 | 1.7 | 178.1 | -68.8 | -6.8 | 0 | 0 | 0 | 114.3 | D320 F324 | D320-N322 PolarHBondContact O-N 2.79Å; N322-F324 PolarHBondContact O-N 2.78Å |
| 323 | A | 65.5 | Low | 72.2 | Confident | 36 Ų | 36 | 84.5 Ų | 84.5 | 30% | 0.298 | 42% | 0.417 | S | S | . | . | trans | -68.4 | 131.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110 | D320 D325 V326 | D320-A323 PolarHBondContact O-N 3.29Å; A323-D325 PolarHBondContact O-N 3.08Å; A323-V326 HydrophobicContact CB-CG2 3.9Å; A323-V326 WeakPolarHBondContact O-CB 3.34Å; A323-V326 WeakPolarHBondContact O-CG2 3.35Å; A323-V326 PolarHBondContact O-N 3.17Å | ||
| 324 | F | 65 | Low | 72.9 | Confident | 202 Ų | 202 | 80.6 Ų | 80.6 | 89% | 0.886 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -23.1 | -176.6 | -167 | -96 | 0 | 0 | 0 | 113.5 | N322 | N322-F324 PolarHBondContact O-N 2.78Š|
| 325 | D | 76.1 | Confident | 73.7 | Confident | 63 Ų | 63 | 77 Ų | 77 | 34% | 0.337 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | 7.8 | -179.2 | -68.7 | -40 | 0 | 0 | 0 | 114.8 | A323 V327 R328 R329 | A323-D325 PolarHBondContact O-N 3.08Å; D325-V327 VanDerWaalsContact C-N 3.32Å; D325-V327 PolarHBondContact O-N 3.25Å; D325-R328 PolarHBondContact O-N 3.5Å; D325-R328 IonicContact OD1-NH1 2.77Å; D325-R329 WeakPolarHBondContact O-CG 3.43Å; D325-R329 PolarHBondContact O-N 3.21Å |
| 326 | V | 78.1 | Confident | 74.8 | Confident | 7 Ų | 7 | 77.4 Ų | 77.4 | 4% | 0.042 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -56.9 | -45.8 | -176.6 | 168.4 | 0 | 0 | 0 | 0 | 111.3 | D320 A323 R328 R329 I330 F402 | D320-V326 VanDerWaalsContact O-CG2 3.25Å; D320-V326 WeakPolarHBondContact O-CG2 3.36Å; A323-V326 HydrophobicContact CB-CG2 3.9Å; A323-V326 WeakPolarHBondContact O-CB 3.34Å; A323-V326 WeakPolarHBondContact O-CG2 3.35Å; A323-V326 PolarHBondContact O-N 3.17Å; V326-R328 VanDerWaalsContact C-N 3.34Å; V326-R328 PolarHBondContact O-N 3.34Å; V326-R329 PolarHBondContact O-N 2.9Å; V326-R329 VanDerWaalsContact O-N 3.14Å; V326-I330 HydrophobicContact CG1-CD1 3.6Å; V326-I330 HydrophobicContact CG1-CG1 4.19Å; V326-I330 VanDerWaalsContact O-CG1 3.28Å; V326-I330 WeakPolarHBondContact O-CG1 3.43Å; V326-I330 PolarHBondContact O-N 3.47Å; V326-F402 HydrophobicContact CG1-CD1 4.02Å |
| 327 | V | 82.4 | Confident | 76.1 | Confident | 38 Ų | 38 | 78.6 Ų | 78.6 | 23% | 0.23 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -58.8 | -44.8 | 179.9 | -179.4 | 0 | 0 | 0 | 0 | 111.5 | D325 R329 I330 E331 E403 F405 | D325-V327 VanDerWaalsContact C-N 3.32Å; D325-V327 PolarHBondContact O-N 3.25Å; V327-R329 VanDerWaalsContact C-N 3.34Å; V327-R329 PolarHBondContact O-N 2.96Å; V327-I330 PolarHBondContact O-N 3.32Å; V327-E331 WeakPolarHBondContact O-CB 3.48Å; V327-E331 PolarHBondContact O-N 3.15Å; V327-E403 HydrophobicContact CG2-CB 4.01Å; V327-E403 HydrophobicContact CG2-CG 4.31Å; V327-F405 HydrophobicContact CG1-CB 3.95Å |
| 328 | R | 84.6 | Confident | 77.7 | Confident | 177 Ų | 177 | 73.9 Ų | 73.9 | 67% | 0.668 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -65.3 | -36.7 | 178.1 | -70.3 | -179.3 | 175.5 | 170.7 | -3 | 112.4 | D325 V326 S332 | D325-R328 PolarHBondContact O-N 3.5Å; D325-R328 IonicContact OD1-NH1 2.77Å; V326-R328 VanDerWaalsContact C-N 3.34Å; V326-R328 PolarHBondContact O-N 3.34Å; R328-S332 WeakPolarHBondContact O-CB 3.02Å; R328-S332 PolarHBondContact O-N 2.93Å |
| 329 | R | 82.9 | Confident | 79.5 | Confident | 112 Ų | 112 | 68.7 Ų | 68.7 | 42% | 0.423 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -68.5 | -43.5 | 176.7 | -68.3 | 179.6 | -163.8 | -165.6 | 6.6 | 111.1 | L319 D325 V326 V327 E331 S332 I333 | L319-R329 HydrophobicContact CD1-CB 4.16Å; D325-R329 WeakPolarHBondContact O-CG 3.43Å; D325-R329 PolarHBondContact O-N 3.21Å; V326-R329 PolarHBondContact O-N 2.9Å; V326-R329 VanDerWaalsContact O-N 3.14Å; V327-R329 VanDerWaalsContact C-N 3.34Å; V327-R329 PolarHBondContact O-N 2.96Å; R329-E331 VanDerWaalsContact C-N 3.32Å; R329-E331 PolarHBondContact O-N 3.29Å; R329-S332 PolarHBondContact O-N 3.4Å; R329-I333 WeakPolarHBondContact O-CG1 3.5Å; R329-I333 PolarHBondContact O-N 3.21Å |
| 330 | I | 85.6 | Confident | 81.1 | Confident | 2 Ų | 2 | 69.3 Ų | 69.3 | 1% | 0.01 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -60.4 | -45.3 | 174.8 | -63.6 | 169.5 | 0 | 0 | 0 | 110 | L312 V326 V327 S332 I333 C334 F402 F405 | L312-I330 HydrophobicContact CD1-CD1 4.1Å; L312-I330 HydrophobicContact CD1-CG2 4.41Å; L312-I330 HydrophobicContact CD2-CD1 4.45Å; L312-I330 HydrophobicContact CD2-CG1 4.14Å; L312-I330 HydrophobicContact CD2-CG2 3.74Å; V326-I330 HydrophobicContact CG1-CD1 3.6Å; V326-I330 HydrophobicContact CG1-CG1 4.19Å; V326-I330 VanDerWaalsContact O-CG1 3.28Å; V326-I330 WeakPolarHBondContact O-CG1 3.43Å; V326-I330 PolarHBondContact O-N 3.47Å; V327-I330 PolarHBondContact O-N 3.32Å; I330-S332 VanDerWaalsContact C-N 3.33Å; I330-S332 PolarHBondContact O-N 3.5Å; I330-I333 PolarHBondContact O-N 3.37Å; I330-C334 PolarHBondContact O-N 3.04Å; I330-C334 PolarHBondContact O-SG 3.26Å; I330-F402 HydrophobicContact CD1-CB 4.09Å; I330-F402 HydrophobicContact CD1-CD1 4.06Å; I330-F402 HydrophobicContact CD1-CG 4.32Å; I330-F405 HydrophobicContact CG2-CD1 4.49Å; I330-F405 HydrophobicContact CG2-CE1 3.91Å |
| 331 | E | 88.9 | Confident | 82.6 | Confident | 48 Ų | 48 | 63.8 Ų | 63.8 | 22% | 0.224 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -57.9 | -45.3 | 176.5 | -163.3 | -177.5 | 167.2 | 0 | 0 | 111.4 | V327 R329 I333 C334 D335 F410 K413 | V327-E331 WeakPolarHBondContact O-CB 3.48Å; V327-E331 PolarHBondContact O-N 3.15Å; R329-E331 VanDerWaalsContact C-N 3.32Å; R329-E331 PolarHBondContact O-N 3.29Å; E331-I333 VanDerWaalsContact C-N 3.35Å; E331-I333 PolarHBondContact O-N 2.87Å; E331-C334 PolarHBondContact O-N 2.84Å; E331-D335 WeakPolarHBondContact O-CB 3.22Å; E331-D335 PolarHBondContact O-N 3.5Å; E331-F410 HydrophobicContact CG-CD2 3.71Å; E331-F410 HydrophobicContact CG-CE2 3.9Å; E331-K413 WeakPolarHBondContact OE1-CE 3.38Å; E331-K413 IonicContact OE1-NZ 3.26Å; E331-K413 PolarHBondContact OE1-NZ 3.34Å |
| 332 | S | 88.4 | Confident | 84.1 | Confident | 51 Ų | 51 | 61.4 Ų | 61.4 | 36% | 0.357 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -64.9 | -34.6 | 177.4 | -175.2 | 0 | 0 | 0 | 0 | 113.4 | R328 R329 I330 K336 | R328-S332 WeakPolarHBondContact O-CB 3.02Å; R328-S332 PolarHBondContact O-N 2.93Å; R329-S332 PolarHBondContact O-N 3.4Å; I330-S332 VanDerWaalsContact C-N 3.33Å; I330-S332 PolarHBondContact O-N 3.5Å; S332-K336 WeakPolarHBondContact O-CG 3.33Å; S332-K336 PolarHBondContact O-N 2.68Å; S332-K336 VanDerWaalsContact O-N 3.12Å |
| 333 | I | 87.8 | Confident | 85.7 | Confident | 42 Ų | 42 | 57.9 Ų | 57.9 | 22% | 0.215 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -66.1 | -46.2 | 174.2 | -67.8 | 164.2 | 0 | 0 | 0 | 109.8 | L310 R329 I330 E331 D335 K336 L337 | L310-I333 HydrophobicContact CD1-CG2 4.16Å; R329-I333 WeakPolarHBondContact O-CG1 3.5Å; R329-I333 PolarHBondContact O-N 3.21Å; I330-I333 PolarHBondContact O-N 3.37Å; E331-I333 VanDerWaalsContact C-N 3.35Å; E331-I333 PolarHBondContact O-N 2.87Å; I333-D335 PolarHBondContact O-N 3.2Å; I333-K336 PolarHBondContact O-N 3.25Å; I333-L337 HydrophobicContact CG2-CD1 3.94Å; I333-L337 WeakPolarHBondContact O-CG 3.39Å; I333-L337 PolarHBondContact O-N 2.89Å; I333-L337 VanDerWaalsContact O-N 3.08Å |
| 334 | C | 90 | Very high | 86.8 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62 | -43.2 | 177.4 | -62.2 | 0 | 0 | 0 | 0 | 111.5 | I330 E331 K336 L337 I338 L394 F405 F410 I425 | I330-C334 PolarHBondContact O-N 3.04Å; I330-C334 PolarHBondContact O-SG 3.26Å; E331-C334 PolarHBondContact O-N 2.84Å; C334-K336 PolarHBondContact O-N 3.38Å; C334-L337 PolarHBondContact O-N 3.18Å; C334-I338 WeakPolarHBondContact O-CG1 3.41Å; C334-I338 PolarHBondContact O-N 3.35Å; C334-L394 HydrophobicContact CB-CD2 4.04Å; C334-F405 HydrophobicContact CB-CZ 4.35Å; C334-F410 HydrophobicContact CB-CE2 3.86Å; C334-F410 HydrophobicContact CB-CZ 3.75Å; C334-I425 HydrophobicContact CB-CD1 4.1Å |
| 335 | D | 92.5 | Very high | 87.8 | Confident | 32 Ų | 32 | 51.8 Ų | 51.8 | 17% | 0.171 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -56.6 | -51.5 | 176.7 | -80.2 | -26.6 | 0 | 0 | 0 | 110.7 | E331 I333 L337 I338 E339 F410 K413 | E331-D335 WeakPolarHBondContact O-CB 3.22Å; E331-D335 PolarHBondContact O-N 3.5Å; I333-D335 PolarHBondContact O-N 3.2Å; D335-L337 VanDerWaalsContact C-N 3.34Å; D335-L337 PolarHBondContact O-N 3.31Å; D335-I338 PolarHBondContact O-N 2.56Å; D335-E339 WeakPolarHBondContact O-CB 3.37Å; D335-E339 WeakPolarHBondContact O-CG 3.38Å; D335-E339 PolarHBondContact O-N 3.31Å; D335-F410 WeakPolarHBondContact OD1-CE2 3.5Å; D335-F410 WeakPolarHBondContact OD1-CZ 3.27Å; D335-K413 IonicContact OD1-NZ 2.69Å; D335-K413 PolarHBondContact OD1-NZ 2.92Å; D335-K413 IonicContact OD2-NZ 3.81Å; D335-K413 PolarHBondContact OD2-NZ 3.11Å |
| 336 | K | 91.3 | Very high | 88.3 | Confident | 139 Ų | 139 | 52.1 Ų | 52.1 | 60% | 0.604 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -61.7 | -40 | -179.7 | -73.4 | 173.9 | -176.4 | 177.1 | 0 | 113 | S332 I333 C334 S340 | S332-K336 WeakPolarHBondContact O-CG 3.33Å; S332-K336 PolarHBondContact O-N 2.68Å; S332-K336 VanDerWaalsContact O-N 3.12Å; I333-K336 PolarHBondContact O-N 3.25Å; C334-K336 PolarHBondContact O-N 3.38Å; K336-S340 WeakPolarHBondContact O-CB 3.25Å; K336-S340 PolarHBondContact O-N 3.17Å |
| 337 | L | 91.1 | Very high | 88.6 | Confident | 37 Ų | 37 | 55 Ų | 55 | 19% | 0.194 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66.2 | -47.2 | 179.1 | -73.4 | 169.3 | 0 | 0 | 0 | 110.8 | L310 I333 C334 D335 E339 S340 E341 | L310-L337 HydrophobicContact CD1-CD1 3.09Å; I333-L337 HydrophobicContact CG2-CD1 3.94Å; I333-L337 WeakPolarHBondContact O-CG 3.39Å; I333-L337 PolarHBondContact O-N 2.89Å; I333-L337 VanDerWaalsContact O-N 3.08Å; C334-L337 PolarHBondContact O-N 3.18Å; D335-L337 VanDerWaalsContact C-N 3.34Å; D335-L337 PolarHBondContact O-N 3.31Å; L337-E339 VanDerWaalsContact C-N 3.33Å; L337-E339 PolarHBondContact O-N 3.39Å; L337-S340 WeakPolarHBondContact O-CB 3.42Å; L337-S340 PolarHBondContact O-N 3.05Å; L337-E341 WeakPolarHBondContact O-CG 3.41Å; L337-E341 PolarHBondContact O-N 3.38Å |
| 338 | I | 92 | Very high | 88.6 | Confident | 3 Ų | 3 | 58.6 Ų | 58.6 | 2% | 0.015 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.9 | -39.2 | 179.3 | -71.1 | 168.2 | 0 | 0 | 0 | 110.8 | C334 D335 S340 E341 I342 I392 L394 F410 F414 I425 | C334-I338 WeakPolarHBondContact O-CG1 3.41Å; C334-I338 PolarHBondContact O-N 3.35Å; D335-I338 PolarHBondContact O-N 2.56Å; I338-S340 VanDerWaalsContact C-N 3.35Å; I338-S340 PolarHBondContact O-N 3.32Å; I338-E341 PolarHBondContact O-N 2.8Å; I338-I342 HydrophobicContact CG2-CD1 3.84Å; I338-I342 HydrophobicContact CG2-CG1 4.33Å; I338-I342 VanDerWaalsContact O-CG1 3.25Å; I338-I342 WeakPolarHBondContact O-CG1 3.44Å; I338-I342 PolarHBondContact O-N 3.47Å; I338-I392 HydrophobicContact CG1-CG2 4.31Å; I338-I392 HydrophobicContact CG2-CD1 4.32Å; I338-L394 HydrophobicContact CD1-CD2 4.5Å; I338-F410 HydrophobicContact CD1-CD1 4.5Å; I338-F410 HydrophobicContact CD1-CE1 3.36Å; I338-F410 HydrophobicContact CD1-CZ 3.77Å; I338-F414 HydrophobicContact CB-CE1 4.32Å; I338-F414 HydrophobicContact CB-CZ 4.18Å; I338-F414 HydrophobicContact CG2-CD1 3.84Å; I338-F414 HydrophobicContact CG2-CD2 4.42Å; I338-F414 HydrophobicContact CG2-CE1 3.6Å; I338-F414 HydrophobicContact CG2-CE2 4.23Å; I338-F414 HydrophobicContact CG2-CG 4.25Å; I338-F414 HydrophobicContact CG2-CZ 3.81Å; I338-I425 HydrophobicContact CD1-CD1 4.28Å; I338-I425 HydrophobicContact CD1-CG1 4.34Å |
| 339 | E | 92.9 | Very high | 88.4 | Confident | 90 Ų | 90 | 51 Ų | 51 | 42% | 0.421 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62.5 | -39.8 | 173.6 | -75 | -176 | 162.1 | 0 | 0 | 113.2 | D335 L337 E341 S343 F414 R417 | D335-E339 WeakPolarHBondContact O-CB 3.37Å; D335-E339 WeakPolarHBondContact O-CG 3.38Å; D335-E339 PolarHBondContact O-N 3.31Å; L337-E339 VanDerWaalsContact C-N 3.33Å; L337-E339 PolarHBondContact O-N 3.39Å; E339-E341 VanDerWaalsContact C-N 3.34Å; E339-S343 WeakPolarHBondContact O-CB 3.42Å; E339-S343 PolarHBondContact O-N 3.08Å; E339-S343 PolarHBondContact O-OG 3.4Å; E339-F414 HydrophobicContact CG-CE1 4.16Å; E339-R417 IonicContact OE1-NH1 3.94Å |
| 340 | S | 92 | Very high | 88.3 | Confident | 53 Ų | 53 | 48.6 Ų | 48.6 | 37% | 0.371 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62.3 | -43.3 | 174.1 | -174.2 | 0 | 0 | 0 | 0 | 111.3 | K336 L337 I338 S343 K344 | K336-S340 WeakPolarHBondContact O-CB 3.25Å; K336-S340 PolarHBondContact O-N 3.17Å; L337-S340 WeakPolarHBondContact O-CB 3.42Å; L337-S340 PolarHBondContact O-N 3.05Å; I338-S340 VanDerWaalsContact C-N 3.35Å; I338-S340 PolarHBondContact O-N 3.32Å; S340-S343 WeakPolarHBondContact O-CB 3.13Å; S340-S343 PolarHBondContact O-N 2.81Å; S340-K344 WeakPolarHBondContact O-CG 3.41Å; S340-K344 PolarHBondContact O-N 3Å; S340-K344 VanDerWaalsContact O-N 3.09Å |
| 341 | E | 90.8 | Very high | 88.1 | Confident | 9 Ų | 9 | 54.2 Ų | 54.2 | 4% | 0.042 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -67.9 | -42.5 | 179 | -68.2 | -34.3 | 113.8 | 0 | 0 | 112.9 | L306 K308 L337 I338 E339 S343 K344 A345 I392 | L306-E341 HydrophobicContact CD1-CB 3.71Å; L306-E341 HydrophobicContact CD1-CG 4.41Å; L306-E341 VanDerWaalsContact CD1-O 3.28Å; L306-E341 WeakPolarHBondContact CD1-O 3.34Å; K308-E341 HydrophobicContact CD-CG 3.91Å; K308-E341 WeakPolarHBondContact CE-OE1 3.26Å; K308-E341 VanDerWaalsContact CE-OE2 3.3Å; K308-E341 WeakPolarHBondContact CE-OE2 3.4Å; K308-E341 IonicContact NZ-OE1 3.53Å; K308-E341 PolarHBondContact NZ-OE1 3.37Å; K308-E341 IonicContact NZ-OE2 2.91Å; L337-E341 WeakPolarHBondContact O-CG 3.41Å; L337-E341 PolarHBondContact O-N 3.38Å; I338-E341 PolarHBondContact O-N 2.8Å; E339-E341 VanDerWaalsContact C-N 3.34Å; E341-S343 VanDerWaalsContact C-N 3.26Å; E341-S343 PolarHBondContact O-N 3.38Å; E341-K344 PolarHBondContact O-N 2.86Å; E341-K344 IonicContact OE1-NZ 3.24Å; E341-K344 PolarHBondContact OE1-NZ 3.28Å; E341-K344 IonicContact OE2-NZ 3.62Å; E341-K344 PolarHBondContact OE2-NZ 2.75Å; E341-A345 PolarHBondContact O-N 3.19Å; E341-I392 HydrophobicContact CB-CD1 4.18Å |
| 342 | I | 91.1 | Very high | 87.4 | Confident | 8 Ų | 8 | 53.1 Ų | 53.1 | 4% | 0.041 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -57.7 | -44.3 | 173.1 | -67.2 | 166.1 | 0 | 0 | 0 | 110 | I338 K344 A345 V346 I392 F414 R417 V418 | I338-I342 HydrophobicContact CG2-CD1 3.84Å; I338-I342 HydrophobicContact CG2-CG1 4.33Å; I338-I342 VanDerWaalsContact O-CG1 3.25Å; I338-I342 WeakPolarHBondContact O-CG1 3.44Å; I338-I342 PolarHBondContact O-N 3.47Å; I342-K344 VanDerWaalsContact C-N 3.32Å; I342-K344 PolarHBondContact O-N 2.8Å; I342-A345 PolarHBondContact O-N 3.38Å; I342-V346 HydrophobicContact CG2-CG2 4.23Å; I342-V346 VanDerWaalsContact O-CG2 3.27Å; I342-V346 WeakPolarHBondContact O-CG2 3.48Å; I342-V346 PolarHBondContact O-N 3.45Å; I342-I392 HydrophobicContact CB-CD1 4.47Å; I342-I392 HydrophobicContact CD1-CD1 4.34Å; I342-I392 HydrophobicContact CG1-CD1 3.4Å; I342-I392 VanDerWaalsContact CG1-CD1 3.4Å; I342-F414 HydrophobicContact CD1-CD1 3.68Å; I342-F414 HydrophobicContact CD1-CE1 4.12Å; I342-R417 HydrophobicContact CD1-CB 4.3Å; I342-V418 HydrophobicContact CD1-CG1 3.9Å; I342-V418 HydrophobicContact CG1-CG1 4.07Å |
| 343 | S | 91.1 | Very high | 86.7 | Confident | 67 Ų | 67 | 53.6 Ų | 53.6 | 47% | 0.469 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -61.2 | -42 | -179.9 | -56.4 | 0 | 0 | 0 | 0 | 111.6 | E339 S340 E341 V346 T347 | E339-S343 WeakPolarHBondContact O-CB 3.42Å; E339-S343 PolarHBondContact O-N 3.08Å; E339-S343 PolarHBondContact O-OG 3.4Å; S340-S343 WeakPolarHBondContact O-CB 3.13Å; S340-S343 PolarHBondContact O-N 2.81Å; E341-S343 VanDerWaalsContact C-N 3.26Å; E341-S343 PolarHBondContact O-N 3.38Å; S343-V346 PolarHBondContact O-N 2.77Å; S343-T347 PolarHBondContact O-N 2.85Å; S343-T347 PolarHBondContact O-OG1 3.04Å |
| 344 | K | 88.1 | Confident | 86.1 | Confident | 104 Ų | 104 | 53.8 Ų | 53.8 | 45% | 0.452 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.1 | -45.2 | 175.5 | -68.9 | 170.3 | -172.7 | 168.3 | 0 | 112.5 | S340 E341 I342 V346 T347 F348 | S340-K344 WeakPolarHBondContact O-CG 3.41Å; S340-K344 PolarHBondContact O-N 3Å; S340-K344 VanDerWaalsContact O-N 3.09Å; E341-K344 PolarHBondContact O-N 2.86Å; E341-K344 IonicContact OE1-NZ 3.24Å; E341-K344 PolarHBondContact OE1-NZ 3.28Å; E341-K344 IonicContact OE2-NZ 3.62Å; E341-K344 PolarHBondContact OE2-NZ 2.75Å; I342-K344 VanDerWaalsContact C-N 3.32Å; I342-K344 PolarHBondContact O-N 2.8Å; K344-V346 VanDerWaalsContact C-N 3.34Å; K344-V346 PolarHBondContact O-N 2.84Å; K344-T347 PolarHBondContact O-N 3.25Å; K344-F348 WeakPolarHBondContact O-CB 3.46Å; K344-F348 PolarHBondContact O-N 2.92Å |
| 345 | A | 86.2 | Confident | 85.2 | Confident | 5 Ų | 5 | 56.5 Ų | 56.5 | 4% | 0.041 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.7 | -39.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L306 E341 I342 F348 S349 P390 | L306-A345 HydrophobicContact CD1-CB 4.11Å; E341-A345 PolarHBondContact O-N 3.19Å; I342-A345 PolarHBondContact O-N 3.38Å; A345-F348 PolarHBondContact O-N 2.97Å; A345-S349 WeakPolarHBondContact O-CB 3.38Å; A345-S349 PolarHBondContact O-N 3.08Å; A345-S349 PolarHBondContact O-OG 3.32Å; A345-P390 HydrophobicContact CB-CB 3.65Å; A345-P390 HydrophobicContact CB-CG 3.72Å |
| 346 | V | 85.7 | Confident | 83.8 | Confident | 71 Ų | 71 | 56.5 Ų | 56.5 | 43% | 0.43 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -66.4 | -43.8 | 176 | 172.6 | 0 | 0 | 0 | 0 | 110.6 | I342 S343 K344 S349 S350 | I342-V346 HydrophobicContact CG2-CG2 4.23Å; I342-V346 VanDerWaalsContact O-CG2 3.27Å; I342-V346 WeakPolarHBondContact O-CG2 3.48Å; I342-V346 PolarHBondContact O-N 3.45Å; S343-V346 PolarHBondContact O-N 2.77Å; K344-V346 VanDerWaalsContact C-N 3.34Å; K344-V346 PolarHBondContact O-N 2.84Å; V346-S349 PolarHBondContact O-N 3.27Å; V346-S350 WeakPolarHBondContact O-CB 3.48Å; V346-S350 PolarHBondContact O-N 2.81Å; V346-S350 PolarHBondContact O-OG 3.1Å |
| 347 | T | 86.3 | Confident | 82.4 | Confident | 67 Ų | 67 | 54.5 Ų | 54.5 | 41% | 0.411 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -58.7 | -49.5 | 174.9 | -58.1 | 0 | 0 | 0 | 0 | 110.8 | S343 K344 S349 S350 E351 | S343-T347 PolarHBondContact O-N 2.85Å; S343-T347 PolarHBondContact O-OG1 3.04Å; K344-T347 PolarHBondContact O-N 3.25Å; T347-S349 VanDerWaalsContact C-N 3.34Å; T347-S349 PolarHBondContact O-N 2.94Å; T347-S350 WeakPolarHBondContact CA-OG 3.21Å; T347-S350 PolarHBondContact O-N 2.83Å; T347-S350 VanDerWaalsContact O-N 3.1Å; T347-S350 PolarHBondContact O-OG 2.84Å; T347-E351 HydrophobicContact CG2-CG 4.4Å; T347-E351 WeakPolarHBondContact CG2-OE1 3.34Å; T347-E351 WeakPolarHBondContact O-CG 3.31Å; T347-E351 PolarHBondContact O-N 2.78Å |
| 348 | F | 82.3 | Confident | 80.8 | Confident | 113 Ų | 113 | 58.5 Ų | 58.5 | 50% | 0.496 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -56.5 | -46 | 177.2 | -179.4 | -99.4 | 0 | 0 | 0 | 112.5 | P304 K344 A345 S350 E351 A352 | P304-F348 HydrophobicContact CG-CD1 4.44Å; K344-F348 WeakPolarHBondContact O-CB 3.46Å; K344-F348 PolarHBondContact O-N 2.92Å; A345-F348 PolarHBondContact O-N 2.97Å; F348-S350 VanDerWaalsContact C-N 3.31Å; F348-S350 PolarHBondContact O-N 2.88Å; F348-E351 PolarHBondContact O-N 2.77Å; F348-A352 WeakPolarHBondContact O-CB 3.45Å; F348-A352 PolarHBondContact O-N 2.86Å |
| 349 | S | 79.4 | Confident | 79.1 | Confident | 18 Ų | 18 | 61.9 Ų | 61.9 | 13% | 0.126 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -64.7 | -36.1 | 178 | -55.8 | 0 | 0 | 0 | 0 | 112.3 | A345 V346 T347 L353 | A345-S349 WeakPolarHBondContact O-CB 3.38Å; A345-S349 PolarHBondContact O-N 3.08Å; A345-S349 PolarHBondContact O-OG 3.32Å; V346-S349 PolarHBondContact O-N 3.27Å; T347-S349 VanDerWaalsContact C-N 3.34Å; T347-S349 PolarHBondContact O-N 2.94Å; S349-L353 WeakPolarHBondContact O-CB 3.1Å; S349-L353 PolarHBondContact O-N 3.32Å |
| 350 | S | 80.3 | Confident | 76.9 | Confident | 62 Ų | 62 | 63.4 Ų | 63.4 | 43% | 0.434 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -72.3 | -35 | 177.1 | 74.1 | 0 | 0 | 0 | 0 | 113.2 | V346 T347 F348 L353 A354 | V346-S350 WeakPolarHBondContact O-CB 3.48Å; V346-S350 PolarHBondContact O-N 2.81Å; V346-S350 PolarHBondContact O-OG 3.1Å; T347-S350 WeakPolarHBondContact CA-OG 3.21Å; T347-S350 PolarHBondContact O-N 2.83Å; T347-S350 VanDerWaalsContact O-N 3.1Å; T347-S350 PolarHBondContact O-OG 2.84Å; F348-S350 VanDerWaalsContact C-N 3.31Å; F348-S350 PolarHBondContact O-N 2.88Å; S350-L353 WeakPolarHBondContact O-CB 3.44Å; S350-L353 PolarHBondContact O-N 3.09Å; S350-A354 WeakPolarHBondContact O-CB 3.41Å; S350-A354 PolarHBondContact O-N 3.38Å |
| 351 | E | 81.5 | Confident | 74.2 | Confident | 119 Ų | 119 | 65 Ų | 65 | 56% | 0.556 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -69 | -42.3 | 174.5 | -73 | 174.5 | -177.8 | 0 | 0 | 110.9 | T347 F348 L353 A354 S355 | T347-E351 HydrophobicContact CG2-CG 4.4Å; T347-E351 WeakPolarHBondContact CG2-OE1 3.34Å; T347-E351 WeakPolarHBondContact O-CG 3.31Å; T347-E351 PolarHBondContact O-N 2.78Å; F348-E351 PolarHBondContact O-N 2.77Å; E351-L353 VanDerWaalsContact C-N 3.32Å; E351-L353 PolarHBondContact O-N 2.85Å; E351-A354 PolarHBondContact O-N 3.31Å; E351-S355 PolarHBondContact O-N 2.66Å |
| 352 | A | 75.3 | Confident | 71.6 | Confident | 25 Ų | 25 | 69 Ų | 69 | 21% | 0.207 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -57.5 | -46.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | F348 A354 S355 E356 P386 | F348-A352 WeakPolarHBondContact O-CB 3.45Å; F348-A352 PolarHBondContact O-N 2.86Å; A352-A354 PolarHBondContact O-N 3.17Å; A352-S355 PolarHBondContact O-N 3.23Å; A352-S355 PolarHBondContact O-OG 3.28Å; A352-E356 PolarHBondContact O-N 2.97Å; A352-P386 HydrophobicContact CB-CG 4.18Å |
| 353 | L | 72.3 | Confident | 69.3 | Low | 61 Ų | 61 | 76 Ų | 76 | 32% | 0.319 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -60 | -43.1 | 175.1 | 178.8 | 65.5 | 0 | 0 | 0 | 112.8 | S349 S350 E351 S355 E356 L357 L385 | S349-L353 WeakPolarHBondContact O-CB 3.1Å; S349-L353 PolarHBondContact O-N 3.32Å; S350-L353 WeakPolarHBondContact O-CB 3.44Å; S350-L353 PolarHBondContact O-N 3.09Å; E351-L353 VanDerWaalsContact C-N 3.32Å; E351-L353 PolarHBondContact O-N 2.85Å; L353-S355 VanDerWaalsContact C-N 3.33Å; L353-E356 PolarHBondContact O-N 3.28Å; L353-L357 HydrophobicContact CG-CD1 4.45Å; L353-L357 WeakPolarHBondContact O-CG 3.47Å; L353-L357 PolarHBondContact O-N 3.25Å; L353-L385 HydrophobicContact CB-CD2 4Å; L353-L385 HydrophobicContact CD1-CD1 3.46Å; L353-L385 VanDerWaalsContact CD1-CD1 3.46Å; L353-L385 HydrophobicContact CD1-CD2 3.52Å; L353-L385 HydrophobicContact CD1-CG 4.13Å; L353-L385 HydrophobicContact CG-CD2 4.38Å |
| 354 | A | 75.3 | Confident | 66.7 | Low | 46 Ų | 46 | 77.2 Ų | 77.2 | 38% | 0.38 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -66.4 | -35.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | S350 E351 A352 L357 N358 | S350-A354 WeakPolarHBondContact O-CB 3.41Å; S350-A354 PolarHBondContact O-N 3.38Å; E351-A354 PolarHBondContact O-N 3.31Å; A352-A354 PolarHBondContact O-N 3.17Å; A354-L357 PolarHBondContact O-N 3.03Å; A354-N358 PolarHBondContact O-N 2.94Å; A354-N358 PolarHBondContact O-ND2 2.87Å |
| 355 | S | 71.1 | Confident | 63.9 | Low | 58 Ų | 58 | 78.8 Ų | 78.8 | 41% | 0.406 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -65.2 | -39.2 | 177.5 | 78.8 | 0 | 0 | 0 | 0 | 112.1 | E351 A352 L353 N358 V359 | E351-S355 PolarHBondContact O-N 2.66Å; A352-S355 PolarHBondContact O-N 3.23Å; A352-S355 PolarHBondContact O-OG 3.28Å; L353-S355 VanDerWaalsContact C-N 3.33Å; S355-N358 PolarHBondContact O-N 2.84Å; S355-V359 WeakPolarHBondContact O-CG2 3.46Å; S355-V359 PolarHBondContact O-N 3.47Å |
| 356 | E | 63.5 | Low | 61.2 | Low | 31 Ų | 31 | 83.3 Ų | 83.3 | 15% | 0.145 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -66.9 | -41.9 | 177.3 | -67.5 | -157.9 | 146.5 | 0 | 0 | 112 | R300 A352 L353 N358 V359 L385 | R300-E356 IonicContact NH1-OE1 2.8Å; R300-E356 PolarHBondContact NH1-OE1 2.64Å; R300-E356 VanDerWaalsContact NH1-OE1 3.11Å; A352-E356 PolarHBondContact O-N 2.97Å; L353-E356 PolarHBondContact O-N 3.28Å; E356-N358 PolarHBondContact O-N 3.34Å; E356-V359 PolarHBondContact O-N 2.98Å; E356-L385 HydrophobicContact CG-CD2 4.48Å; E356-L385 VanDerWaalsContact OE2-CD2 3.26Å; E356-L385 WeakPolarHBondContact OE2-CD2 3.42Å |
| 357 | L | 61.5 | Low | 58.6 | Low | 98 Ų | 98 | 84.1 Ų | 84.1 | 51% | 0.513 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.2 | -26.8 | 180 | -70.3 | 169.3 | 0 | 0 | 0 | 113.4 | L353 A354 | L353-L357 HydrophobicContact CG-CD1 4.45Å; L353-L357 WeakPolarHBondContact O-CG 3.47Å; L353-L357 PolarHBondContact O-N 3.25Å; A354-L357 PolarHBondContact O-N 3.03Å |
| 358 | N | 57.2 | Low | 55.9 | Low | 121 Ų | 121 | 83.8 Ų | 83.8 | 65% | 0.647 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -85.8 | -23.7 | -179.2 | -74.3 | -33.2 | 0 | 0 | 0 | 113.8 | A354 S355 E356 | A354-N358 PolarHBondContact O-N 2.94Å; A354-N358 PolarHBondContact O-ND2 2.87Å; S355-N358 PolarHBondContact O-N 2.84Å; E356-N358 PolarHBondContact O-N 3.34Å |
| 359 | V | 56.9 | Low | 53.4 | Low | 73 Ų | 73 | 87.2 Ų | 87.2 | 44% | 0.442 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -75.3 | -31.1 | -177.6 | 175.2 | 0 | 0 | 0 | 0 | 111.6 | S355 E356 A361 | S355-V359 WeakPolarHBondContact O-CG2 3.46Å; S355-V359 PolarHBondContact O-N 3.47Å; E356-V359 PolarHBondContact O-N 2.98Å; V359-A361 VanDerWaalsContact C-N 3.3Å; V359-A361 PolarHBondContact O-N 3.36Å |
| 360 | D | 46 | Very low | 51.4 | Low | 123 Ų | 123 | 93.8 Ų | 93.8 | 66% | 0.658 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | -17.4 | -177.4 | -71.5 | -19.9 | 0 | 0 | 0 | 114.3 | ||
| 361 | A | 36 | Very low | 49.2 | Very low | 86 Ų | 86 | 97.6 Ų | 97.6 | 71% | 0.711 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.4 | -13.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | V359 | V359-A361 VanDerWaalsContact C-N 3.3Å; V359-A361 PolarHBondContact O-N 3.36Å |
| 362 | S | 37.3 | Very low | 47.1 | Very low | 94 Ų | 94 | 94.9 Ų | 94.9 | 66% | 0.657 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.3 | -8.6 | -173.4 | 59.2 | 0 | 0 | 0 | 0 | 115.3 | ||
| 363 | K | 41 | Very low | 45.5 | Very low | 154 Ų | 154 | 98 Ų | 98 | 67% | 0.67 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -116.9 | 5.1 | 177.5 | -73.2 | -174.9 | 178.7 | 179.8 | 0 | 114.8 | T365 S366 | K363-T365 PolarHBondContact O-N 3.28Å; K363-S366 PolarHBondContact O-N 3.12Å |
| 364 | S | 37.4 | Very low | 44 | Very low | 93 Ų | 93 | 103.2 Ų | 103.2 | 65% | 0.65 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.9 | 6.9 | 179.6 | 58.9 | 0 | 0 | 0 | 0 | 115.3 | ||
| 365 | T | 30.3 | Very low | 42.4 | Very low | 137 Ų | 137 | 108.6 Ų | 108.6 | 84% | 0.84 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.1 | 4.6 | 175.9 | -3.6 | 0 | 0 | 0 | 0 | 114.3 | K363 | K363-T365 PolarHBondContact O-N 3.28Š|
| 366 | S | 29.2 | Very low | 41 | Very low | 100 Ų | 100 | 109.7 Ų | 109.7 | 70% | 0.699 | 62% | 0.617 | S | S | * | * | trans | -153.5 | 62.4 | 163.9 | 69.5 | 0 | 0 | 0 | 0 | 110.2 | K363 A368 | K363-S366 PolarHBondContact O-N 3.12Å; S366-A368 PolarHBondContact O-N 3.29Å | ||
| 367 | A | 29.9 | Very low | 39.6 | Very low | 87 Ų | 87 | 117.1 Ų | 117.1 | 72% | 0.719 | 65% | 0.649 | S | S | * | * | trans | -62.7 | 94.5 | 147.5 | 0 | 0 | 0 | 0 | 0 | 104.2 | E369 | A367-E369 VanDerWaalsContact C-N 3.25Å; A367-E369 PolarHBondContact O-N 3.03Å | ||
| 368 | A | 30.2 | Very low | 38.8 | Very low | 60 Ų | 60 | 115.5 Ų | 115.5 | 50% | 0.496 | 64% | 0.64 | S | S | . | * | trans | -53.7 | 109.4 | 158.9 | 0 | 0 | 0 | 0 | 0 | 104 | S366 Y370 | S366-A368 PolarHBondContact O-N 3.29Å; A368-Y370 HydrophobicContact CB-CD2 3.83Å; A368-Y370 HydrophobicContact CB-CE2 3.57Å; A368-Y370 WeakPolarHBondContact O-CD2 3.48Å; A368-Y370 PolarHBondContact O-N 2.89Å | ||
| 369 | E | 29.1 | Very low | 37.7 | Very low | 186 Ų | 186 | 115.4 Ų | 115.4 | 87% | 0.869 | 64% | 0.644 | S | S | * | * | trans | -54.3 | 83.8 | 158.2 | -69.8 | 172 | 163.3 | 0 | 0 | 104.8 | A367 E371 | A367-E369 VanDerWaalsContact C-N 3.25Å; A367-E369 PolarHBondContact O-N 3.03Å; E369-E371 VanDerWaalsContact C-N 3.34Å; E369-E371 PolarHBondContact O-N 2.8Å; E369-E371 VanDerWaalsContact O-N 3.14Å | ||
| 370 | Y | 39 | Very low | 36.8 | Very low | 156 Ų | 156 | 113.4 Ų | 113.4 | 61% | 0.612 | 63% | 0.633 | S | S | * | * | trans | -69.6 | 108.5 | 160.7 | -75.2 | -77.1 | 0 | 0 | 0 | 103 | A368 C372 | A368-Y370 HydrophobicContact CB-CD2 3.83Å; A368-Y370 HydrophobicContact CB-CE2 3.57Å; A368-Y370 WeakPolarHBondContact O-CD2 3.48Å; A368-Y370 PolarHBondContact O-N 2.89Å; Y370-C372 PolarHBondContact O-N 2.89Å | ||
| 371 | E | 32.8 | Very low | 36.6 | Very low | 141 Ų | 141 | 113.9 Ų | 113.9 | 66% | 0.659 | 64% | 0.641 | S | S | * | * | trans | -55.2 | 73.5 | 165.5 | -74.5 | 179 | 162.6 | 0 | 0 | 108.7 | E369 | E369-E371 VanDerWaalsContact C-N 3.34Å; E369-E371 PolarHBondContact O-N 2.8Å; E369-E371 VanDerWaalsContact O-N 3.14Å | ||
| 372 | C | 38.8 | Very low | 37.4 | Very low | 63 Ų | 63 | 115.4 Ų | 115.4 | 43% | 0.426 | 63% | 0.633 | S | S | . | * | trans | -71.3 | 123.5 | 152.1 | 52.6 | 0 | 0 | 0 | 0 | 104.8 | Y370 E374 | Y370-C372 PolarHBondContact O-N 2.89Å; C372-E374 PolarHBondContact O-N 3.06Å | ||
| 373 | N | 41.4 | Very low | 38.5 | Very low | 91 Ų | 91 | 117.9 Ų | 117.9 | 49% | 0.487 | 63% | 0.628 | S | S | . | * | trans | -13.8 | 110.1 | -176.2 | -70.3 | -37.4 | 0 | 0 | 0 | 113.6 | N375 I376 | N373-N375 PolarHBondContact O-N 2.72Å; N373-I376 PolarHBondContact O-N 3.27Å | ||
| 374 | E | 39.4 | Very low | 40 | Very low | 170 Ų | 170 | 112.4 Ų | 112.4 | 79% | 0.794 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.4 | -5 | -172.7 | -70.4 | -164.4 | 133 | 0 | 0 | 115.7 | C372 | C372-E374 PolarHBondContact O-N 3.06Š|
| 375 | N | 41.7 | Very low | 41.9 | Very low | 159 Ų | 159 | 109.7 Ų | 109.7 | 85% | 0.85 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.3 | 3.2 | -179.6 | -66.6 | -38.5 | 0 | 0 | 0 | 115.3 | N373 | N373-N375 PolarHBondContact O-N 2.72Š|
| 376 | I | 43 | Very low | 44.2 | Very low | 81 Ų | 81 | 103.8 Ų | 103.8 | 42% | 0.415 | 55% | 0.548 | S | S | . | . | trans | -118.2 | 91.2 | 169.3 | -55.9 | 176 | 0 | 0 | 0 | 107.7 | I79 N373 I378 | I79-I376 HydrophobicContact CG1-CD1 4.07Å; N373-I376 PolarHBondContact O-N 3.27Å; I376-I378 VanDerWaalsContact C-N 3.29Å; I376-I378 PolarHBondContact O-N 3.31Å | ||
| 377 | K | 34 | Very low | 46.8 | Very low | 186 Ų | 186 | 99.6 Ų | 99.6 | 81% | 0.809 | 52% | 0.518 | S | S | * | . | trans | -55.5 | 103.8 | 157.6 | -79.8 | -178.2 | 178 | 177.6 | 0 | 106.1 | T379 | K377-T379 PolarHBondContact O-N 2.83Å; K377-T379 PolarHBondContact O-OG1 3.26Å | ||
| 378 | I | 43.5 | Very low | 49.3 | Very low | 64 Ų | 64 | 100.4 Ų | 100.4 | 33% | 0.328 | 51% | 0.514 | S | S | . | . | trans | -62.3 | 83.6 | 166.4 | -58.1 | 175.5 | 0 | 0 | 0 | 105 | I79 I376 S380 | I79-I378 HydrophobicContact CG2-CD1 4.28Å; I376-I378 VanDerWaalsContact C-N 3.29Å; I376-I378 PolarHBondContact O-N 3.31Å; I378-S380 PolarHBondContact O-N 2.83Å | ||
| 379 | T | 34.8 | Very low | 52.2 | Low | 120 Ų | 120 | 100.1 Ų | 100.1 | 74% | 0.736 | 50% | 0.503 | S | S | * | . | trans | -75.8 | -6.2 | -173.6 | -53.2 | 0 | 0 | 0 | 0 | 109.7 | K377 T381 | K377-T379 PolarHBondContact O-N 2.83Å; K377-T379 PolarHBondContact O-OG1 3.26Å; T379-T381 PolarHBondContact O-N 2.76Å | ||
| 380 | S | 38.8 | Very low | 55.2 | Low | 31 Ų | 31 | 91.3 Ų | 91.3 | 22% | 0.217 | 46% | 0.462 | C | S | . | . | trans | -88.4 | 77.5 | 169.6 | 59.3 | 0 | 0 | 0 | 0 | 110.7 | R43 I378 Q382 | R43-S380 PolarHBondContact NH2-O 2.69Å; I378-S380 PolarHBondContact O-N 2.83Å; S380-Q382 PolarHBondContact O-N 2.85Å | ||
| 381 | T | 40.4 | Very low | 57.9 | Low | 132 Ų | 132 | 84.1 Ų | 84.1 | 81% | 0.81 | 43% | 0.434 | S | S | * | . | trans | -68.1 | 43 | 139.9 | 47.7 | 0 | 0 | 0 | 0 | 109.8 | T379 R383 | T379-T381 PolarHBondContact O-N 2.76Å; T381-R383 VanDerWaalsContact C-N 3.27Å; T381-R383 PolarHBondContact O-N 2.76Å | ||
| 382 | Q | 52.8 | Low | 60.9 | Low | 119 Ų | 119 | 77.6 Ų | 77.6 | 56% | 0.556 | 40% | 0.403 | S | S | * | . | trans | -69.6 | 100.8 | 162.2 | -72.1 | -172.1 | 4 | 0 | 0 | 104.4 | S380 L384 | S380-Q382 PolarHBondContact O-N 2.85Å; Q382-L384 PolarHBondContact O-N 2.98Å | ||
| 383 | R | 61 | Low | 63.5 | Low | 146 Ų | 146 | 77 Ų | 77 | 55% | 0.551 | 39% | 0.392 | S | S | * | . | trans | -48.4 | 139.6 | 177.1 | -60.2 | 176.9 | -166.2 | 170.4 | 4.2 | 108.3 | R36 T381 L385 | R36-R383 PolarHBondContact NH2-O 2.86Å; R36-R383 VanDerWaalsContact NH2-O 3.13Å; T381-R383 VanDerWaalsContact C-N 3.27Å; T381-R383 PolarHBondContact O-N 2.76Å; R383-L385 HydrophobicContact CB-CD1 3.51Å; R383-L385 HydrophobicContact CB-CD2 4.44Å; R383-L385 HydrophobicContact CB-CG 3.54Å; R383-L385 HydrophobicContact CG-CD1 4.32Å; R383-L385 PolarHBondContact O-N 2.78Å | ||
| 384 | L | 72 | Confident | 66 | Low | 39 Ų | 39 | 72.9 Ų | 72.9 | 20% | 0.204 | 37% | 0.37 | C | S | . | . | trans | -75.7 | 61.1 | -179.2 | -69.3 | 173 | 0 | 0 | 0 | 109.3 | E40 R300 T301 Q382 | E40-L384 HydrophobicContact CB-CD2 4.12Å; E40-L384 HydrophobicContact CG-CD2 4.34Å; R300-L384 WeakPolarHBondContact CB-O 3.27Å; T301-L384 HydrophobicContact CG2-CB 4.11Å; T301-L384 HydrophobicContact CG2-CD2 3.64Å; Q382-L384 PolarHBondContact O-N 2.98Å | ||
| 385 | L | 77.5 | Confident | 68.6 | Low | 35 Ų | 35 | 68.9 Ų | 68.9 | 18% | 0.183 | 35% | 0.348 | C | S | . | . | P | Polyproline II helix | trans | -100.1 | 142.7 | -174.9 | -63.8 | 169.7 | 0 | 0 | 0 | 110.5 | R36 L353 E356 R383 | R36-L385 PolarHBondContact NH1-O 3.05Å; R36-L385 PolarHBondContact NH2-O 2.84Å; L353-L385 HydrophobicContact CB-CD2 4Å; L353-L385 HydrophobicContact CD1-CD1 3.46Å; L353-L385 VanDerWaalsContact CD1-CD1 3.46Å; L353-L385 HydrophobicContact CD1-CD2 3.52Å; L353-L385 HydrophobicContact CD1-CG 4.13Å; L353-L385 HydrophobicContact CG-CD2 4.38Å; E356-L385 HydrophobicContact CG-CD2 4.48Å; E356-L385 VanDerWaalsContact OE2-CD2 3.26Å; E356-L385 WeakPolarHBondContact OE2-CD2 3.42Å; R383-L385 HydrophobicContact CB-CD1 3.51Å; R383-L385 HydrophobicContact CB-CD2 4.44Å; R383-L385 HydrophobicContact CB-CG 3.54Å; R383-L385 HydrophobicContact CG-CD1 4.32Å; R383-L385 PolarHBondContact O-N 2.78Å |
| 386 | P | 79.3 | Confident | 70.9 | Confident | 13 Ų | 13 | 61.3 Ų | 61.3 | 8% | 0.084 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -61.1 | 143.8 | 170.3 | 26.2 | -33 | 0 | 0 | 0 | 109.7 | R300 P304 A352 | R300-P386 WeakPolarHBondContact O-CA 3.46Å; R300-P386 WeakPolarHBondContact O-CB 3.46Å; R300-P386 WeakPolarHBondContact O-CD 3.38Å; P304-P386 HydrophobicContact CG-CB 4.36Å; A352-P386 HydrophobicContact CB-CG 4.18Å |
| 387 | P | 83.5 | Confident | 73.2 | Confident | 12 Ų | 12 | 58.8 Ų | 58.8 | 8% | 0.078 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -55.7 | 147.2 | 169 | -25 | 33.3 | 0 | 0 | 0 | 112.6 | T301 R303 | T301-P387 VanDerWaalsContact O-CD 3.28Å; T301-P387 WeakPolarHBondContact O-CD 3.39Å; R303-P387 HydrophobicContact CB-CG 4.2Å; R303-P387 HydrophobicContact CG-CB 4.37Å; R303-P387 HydrophobicContact CG-CG 4.5Å; R303-P387 VanDerWaalsContact NH1-CB 3.32Å |
| 388 | V | 82.1 | Confident | 75.5 | Confident | 105 Ų | 105 | 49.9 Ų | 49.9 | 64% | 0.636 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -70.6 | -40.8 | -173.1 | -178.8 | 0 | 0 | 0 | 0 | 112.1 | P390 | V388-P390 WeakPolarHBondContact O-CD 3.49Š|
| 389 | E | 90.6 | Very high | 77.2 | Confident | 53 Ų | 53 | 46.9 Ų | 46.9 | 25% | 0.248 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -87.1 | 114.6 | -176.8 | -54.1 | 83.8 | 175.8 | 0 | 0 | 111.3 | R303 A419 | R303-E389 VanDerWaalsContact CD-O 3.31Å; R303-E389 WeakPolarHBondContact CD-O 3.37Å; R303-E389 WeakPolarHBondContact CG-O 3.22Å; R303-E389 PolarHBondContact NH1-O 2.82Å; R303-E389 IonicContact NH1-OE2 3.24Å; E389-A419 HydrophobicContact CB-CB 4.33Å |
| 390 | P | 93.6 | Very high | 79 | Confident | 2 Ų | 2 | 41.8 Ų | 41.8 | 1% | 0.013 | 21% | 0.212 | C | C | . | . | trans | -73.3 | 163.3 | 179 | 31.1 | -37.8 | 0 | 0 | 0 | 112.7 | P304 A345 V388 I392 R417 V418 A419 | P304-P390 HydrophobicContact CB-CB 4.34Å; P304-P390 WeakPolarHBondContact O-CA 3.35Å; A345-P390 HydrophobicContact CB-CB 3.65Å; A345-P390 HydrophobicContact CB-CG 3.72Å; V388-P390 WeakPolarHBondContact O-CD 3.49Å; P390-I392 HydrophobicContact CB-CG1 4.42Å; P390-I392 HydrophobicContact CG-CD1 4.17Å; P390-I392 HydrophobicContact CG-CG1 4.29Å; P390-R417 WeakPolarHBondContact CD-O 3.47Å; P390-V418 WeakPolarHBondContact O-CA 3.34Å; P390-A419 PolarHBondContact O-N 3.38Å | ||
| 391 | L | 94.8 | Very high | 80.7 | Confident | 4 Ų | 4 | 41.1 Ų | 41.1 | 2% | 0.021 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 133.5 | 160.7 | -66.4 | 167.9 | 0 | 0 | 0 | 108.9 | A269 L272 R303 P304 F305 L306 A419 N420 | A269-L391 HydrophobicContact CB-CD1 4.31Å; L272-L391 HydrophobicContact CD2-CB 4.41Å; L272-L391 HydrophobicContact CD2-CD1 4.49Å; R303-L391 HydrophobicContact CG-CD1 4.46Å; R303-L391 HydrophobicContact CG-CG 4.21Å; P304-L391 PolarHBondContact O-N 2.92Å; F305-L391 WeakPolarHBondContact CA-O 3.5Å; F305-L391 HydrophobicContact CB-CB 4.07Å; F305-L391 HydrophobicContact CD2-CB 3.65Å; F305-L391 HydrophobicContact CG-CB 4.1Å; L306-L391 PolarHBondContact N-O 2.84Å; L391-A419 HydrophobicContact CD2-CB 3.84Å; L391-A419 HydrophobicContact CG-CB 4.45Å; L391-N420 WeakPolarHBondContact CA-OD1 3.48Å; L391-N420 HydrophobicContact CD2-CB 3.67Å |
| 392 | I | 94.9 | Very high | 82.5 | Confident | 4 Ų | 4 | 35.9 Ų | 35.9 | 2% | 0.021 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 132.9 | 177.7 | -58.6 | 179.5 | 0 | 0 | 0 | 109.3 | L306 I338 E341 I342 P390 V418 N420 L424 | L306-I392 HydrophobicContact CB-CG1 4.46Å; L306-I392 CarbonylContact O-C 2.95Å; L306-I392 WeakPolarHBondContact O-CA 3.32Å; I338-I392 HydrophobicContact CG1-CG2 4.31Å; I338-I392 HydrophobicContact CG2-CD1 4.32Å; E341-I392 HydrophobicContact CB-CD1 4.18Å; I342-I392 HydrophobicContact CB-CD1 4.47Å; I342-I392 HydrophobicContact CD1-CD1 4.34Å; I342-I392 HydrophobicContact CG1-CD1 3.4Å; I342-I392 VanDerWaalsContact CG1-CD1 3.4Å; P390-I392 HydrophobicContact CB-CG1 4.42Å; P390-I392 HydrophobicContact CG-CD1 4.17Å; P390-I392 HydrophobicContact CG-CG1 4.29Å; I392-V418 HydrophobicContact CD1-CG1 3.99Å; I392-V418 HydrophobicContact CG1-CG1 4.48Å; I392-N420 PolarHBondContact N-OD1 2.97Å; I392-N420 PolarHBondContact O-ND2 2.81Å; I392-L424 HydrophobicContact CB-CD2 3.97Å; I392-L424 WeakPolarHBondContact O-CD2 3.31Å |
| 393 | R | 94.7 | Very high | 83.9 | Confident | 50 Ų | 50 | 36.8 Ų | 36.8 | 19% | 0.189 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 119.8 | 174.7 | -174.7 | 68.4 | 149.7 | -172.2 | -7.8 | 109.8 | L272 F305 L306 F307 K308 D423 L424 V426 | L272-R393 HydrophobicContact CB-CB 4.23Å; L272-R393 HydrophobicContact CB-CG 4.06Å; F305-R393 HydrophobicContact CE2-CB 3.76Å; F305-R393 HydrophobicContact CZ-CB 4.15Å; L306-R393 PolarHBondContact O-N 2.84Å; F307-R393 WeakPolarHBondContact CA-O 3.17Å; F307-R393 HydrophobicContact CD2-CB 3.83Å; F307-R393 HydrophobicContact CD2-CG 3.77Å; F307-R393 HydrophobicContact CE2-CB 4.33Å; F307-R393 HydrophobicContact CE2-CG 3.73Å; K308-R393 PolarHBondContact N-O 3.27Å; R393-D423 VanDerWaalsContact CD-O 3.23Å; R393-D423 WeakPolarHBondContact CD-O 3.46Å; R393-D423 PolarHBondContact NH1-O 3.36Å; R393-L424 CarbonylContact C-O 3.59Å; R393-L424 WeakPolarHBondContact CA-O 3.29Å; R393-V426 VanDerWaalsContact NH1-CG2 3.3Å |
| 394 | L | 94.1 | Very high | 85.1 | Confident | 5 Ų | 5 | 31.8 Ų | 31.8 | 3% | 0.026 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 117.5 | 173.7 | -173.2 | 70.6 | 0 | 0 | 0 | 109.3 | K308 L310 C334 I338 V396 L424 I425 V426 | K308-L394 HydrophobicContact CB-CD1 3.85Å; K308-L394 CarbonylContact O-C 3.58Å; K308-L394 WeakPolarHBondContact O-CA 3.41Å; L310-L394 HydrophobicContact CB-CD1 4.05Å; C334-L394 HydrophobicContact CB-CD2 4.04Å; I338-L394 HydrophobicContact CD1-CD2 4.5Å; L394-V396 HydrophobicContact CD2-CG2 3.85Å; L394-V396 HydrophobicContact CG-CG2 3.86Å; L394-L424 PolarHBondContact N-O 3.14Å; L394-I425 HydrophobicContact CB-CG1 4.29Å; L394-I425 HydrophobicContact CD2-CD1 4.35Å; L394-I425 HydrophobicContact CD2-CG1 4.48Å; L394-I425 WeakPolarHBondContact O-CA 3.43Å; L394-V426 PolarHBondContact O-N 3.07Å |
| 395 | R | 93.1 | Very high | 85.9 | Confident | 87 Ų | 87 | 31.1 Ų | 31.1 | 33% | 0.328 | 16% | 0.163 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 111.3 | 174.1 | 179.7 | 169.9 | 68.8 | -179 | -0.9 | 108.9 | F307 K308 D309 L310 V426 | F307-R395 HydrophobicContact CZ-CB 4.13Å; K308-R395 PolarHBondContact O-N 2.82Å; D309-R395 WeakPolarHBondContact CA-O 3.47Å; D309-R395 VanDerWaalsContact CG-NH2 3.27Å; D309-R395 WeakPolarHBondContact OD1-CB 3.33Å; D309-R395 IonicContact OD1-CZ 3.69Å; D309-R395 VanDerWaalsContact OD1-CZ 3.25Å; D309-R395 IonicContact OD1-NE 3.6Å; D309-R395 PolarHBondContact OD1-NE 2.88Å; D309-R395 IonicContact OD1-NH2 3.81Å; D309-R395 PolarHBondContact OD1-NH2 2.83Å; D309-R395 VanDerWaalsContact OD1-NH2 3.09Å; D309-R395 IonicContact OD2-CZ 2.79Å; D309-R395 IonicContact OD2-NE 3.42Å; D309-R395 IonicContact OD2-NH2 3.77Å; D309-R395 PolarHBondContact OD2-NH2 2.91Å; L310-R395 PolarHBondContact N-O 3.5Å; R395-V426 CarbonylContact C-O 3.59Å; R395-V426 WeakPolarHBondContact CA-O 3.41Å |
| 396 | V | 91.1 | Very high | 86.6 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 117.6 | -174.3 | -179.3 | 0 | 0 | 0 | 0 | 109.7 | L310 L312 L394 L398 I425 V426 F427 N428 | L310-V396 HydrophobicContact CB-CG2 4.46Å; L310-V396 HydrophobicContact CD2-CG1 3.9Å; L310-V396 HydrophobicContact CD2-CG2 4.35Å; L310-V396 CarbonylContact O-C 3.58Å; L310-V396 WeakPolarHBondContact O-CA 3.14Å; L312-V396 HydrophobicContact CD1-CG1 3.71Å; L312-V396 HydrophobicContact CD2-CG1 4.04Å; L312-V396 HydrophobicContact CG-CG1 3.68Å; L394-V396 HydrophobicContact CD2-CG2 3.85Å; L394-V396 HydrophobicContact CG-CG2 3.86Å; V396-L398 HydrophobicContact CG1-CD2 4.14Å; V396-I425 HydrophobicContact CG2-CG2 3.92Å; V396-V426 PolarHBondContact N-O 2.91Å; V396-F427 HydrophobicContact CB-CD1 3.9Å; V396-F427 HydrophobicContact CB-CE1 4.18Å; V396-F427 HydrophobicContact CG1-CD1 4.13Å; V396-F427 HydrophobicContact CG1-CE1 4.29Å; V396-F427 HydrophobicContact CG2-CE1 4.46Å; V396-F427 WeakPolarHBondContact O-CA 3.45Å; V396-N428 PolarHBondContact O-N 2.82Å |
| 397 | D | 89.6 | Confident | 87.1 | Confident | 27 Ų | 27 | 32.9 Ų | 32.9 | 14% | 0.144 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 117.3 | 174.9 | -174 | 12.6 | 0 | 0 | 0 | 111.2 | L310 L312 S399 | L310-D397 PolarHBondContact O-N 2.82Å; L312-D397 PolarHBondContact N-O 3.03Å; D397-S399 VanDerWaalsContact CG-OG 3.32Å; D397-S399 WeakPolarHBondContact OD1-CB 3.15Å; D397-S399 PolarHBondContact OD1-N 2.87Å; D397-S399 PolarHBondContact OD1-OG 2.86Å; D397-S399 PolarHBondContact OD2-OG 2.84Å |
| 398 | L | 83.8 | Confident | 87.5 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | trans | -94.4 | 6.4 | 179.7 | -60.2 | -178.6 | 0 | 0 | 0 | 113.5 | L312 V396 G400 G401 F402 F427 N428 R429 | L312-L398 HydrophobicContact CD1-CD2 3.49Å; L312-L398 VanDerWaalsContact CD1-CD2 3.49Å; V396-L398 HydrophobicContact CG1-CD2 4.14Å; L398-G400 PolarHBondContact O-N 2.88Å; L398-G401 PolarHBondContact O-N 2.94Å; L398-F402 HydrophobicContact CD2-CB 4.21Å; L398-F402 PolarHBondContact O-N 3.06Å; L398-F427 HydrophobicContact CD1-CB 3.65Å; L398-F427 HydrophobicContact CD1-CD1 3.97Å; L398-F427 HydrophobicContact CD1-CG 4.03Å; L398-F427 HydrophobicContact CD2-CD1 3.9Å; L398-F427 HydrophobicContact CG-CB 4.15Å; L398-F427 HydrophobicContact CG-CD1 4.06Å; L398-N428 WeakPolarHBondContact CB-O 3.33Å; L398-N428 PolarHBondContact N-O 2.83Å; L398-R429 HydrophobicContact CB-CG 3.9Å; L398-R429 HydrophobicContact CD1-CG 4.09Å | ||
| 399 | S | 78.5 | Confident | 88 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | -21.3 | -173.6 | -68.2 | 0 | 0 | 0 | 0 | 115.4 | D397 G401 N430 | D397-S399 VanDerWaalsContact CG-OG 3.32Å; D397-S399 WeakPolarHBondContact OD1-CB 3.15Å; D397-S399 PolarHBondContact OD1-N 2.87Å; D397-S399 PolarHBondContact OD1-OG 2.86Å; D397-S399 PolarHBondContact OD2-OG 2.84Å; S399-G401 PolarHBondContact O-N 2.88Å; S399-N430 VanDerWaalsContact OG-CB 3.31Å; S399-N430 WeakPolarHBondContact OG-CB 3.49Å; S399-N430 PolarHBondContact OG-N 2.97Å |
| 400 | G | 71.9 | Confident | 88.1 | Confident | 14 Ų | 14 | 39 Ų | 39 | 14% | 0.144 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | 2.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | L398 R441 | L398-G400 PolarHBondContact O-N 2.88Å; G400-R441 PolarHBondContact O-NH2 3.01Å |
| 401 | G | 74.7 | Confident | 88 | Confident | 17 Ų | 17 | 38.9 Ų | 38.9 | 18% | 0.175 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.5 | 31.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | L398 S399 R441 | L398-G401 PolarHBondContact O-N 2.94Å; S399-G401 PolarHBondContact O-N 2.88Å; G401-R441 PolarHBondContact O-NH1 2.58Å; G401-R441 PolarHBondContact O-NH2 2.97Å |
| 402 | F | 78.6 | Confident | 88 | Confident | 21 Ų | 21 | 45.4 Ų | 45.4 | 9% | 0.092 | 23% | 0.227 | C | C | . | . | P | Polyproline II helix | trans | -78.7 | 149.2 | 174.9 | -61.7 | -78.4 | 0 | 0 | 0 | 110.9 | L312 Q313 V316 V326 I330 L398 | L312-F402 HydrophobicContact CB-CD2 3.61Å; L312-F402 HydrophobicContact CB-CE2 3.55Å; L312-F402 HydrophobicContact CB-CG 4.33Å; L312-F402 HydrophobicContact CB-CZ 4.22Å; L312-F402 HydrophobicContact CD1-CB 3.78Å; L312-F402 HydrophobicContact CD1-CD2 3.73Å; L312-F402 HydrophobicContact CD1-CE2 4.49Å; L312-F402 HydrophobicContact CD1-CG 3.81Å; L312-F402 HydrophobicContact CG-CD2 4.35Å; Q313-F402 HydrophobicContact CG-CE2 4.15Å; V316-F402 HydrophobicContact CB-CE1 4.25Å; V316-F402 HydrophobicContact CB-CZ 4.05Å; V316-F402 HydrophobicContact CG1-CE1 3.89Å; V316-F402 HydrophobicContact CG1-CZ 4.11Å; V326-F402 HydrophobicContact CG1-CD1 4.02Å; I330-F402 HydrophobicContact CD1-CB 4.09Å; I330-F402 HydrophobicContact CD1-CD1 4.06Å; I330-F402 HydrophobicContact CD1-CG 4.32Å; L398-F402 HydrophobicContact CD2-CB 4.21Å; L398-F402 PolarHBondContact O-N 3.06Å |
| 403 | E | 81.8 | Confident | 87.9 | Confident | 138 Ų | 138 | 49.8 Ų | 49.8 | 65% | 0.645 | 25% | 0.246 | S | C | * | . | P | Polyproline II helix | trans | -81.5 | 138.6 | 173.8 | -171.1 | 175.6 | -172.4 | 0 | 0 | 110.9 | V327 | V327-E403 HydrophobicContact CG2-CB 4.01Å; V327-E403 HydrophobicContact CG2-CG 4.31Å |
| 404 | S | 86.9 | Confident | 87.8 | Confident | 41 Ų | 41 | 47.6 Ų | 47.6 | 29% | 0.287 | 24% | 0.238 | S | C | . | . | P | Polyproline II helix | trans | -84 | 149.1 | 175 | 49.5 | 0 | 0 | 0 | 0 | 111.7 | R429 | S404-R429 PolarHBondContact OG-NH2 2.69Š|
| 405 | F | 89.4 | Confident | 87.7 | Confident | 25 Ų | 25 | 52 Ų | 52 | 11% | 0.11 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -103.7 | 170.9 | 167.1 | 57.3 | -89.7 | 0 | 0 | 0 | 111.4 | V327 I330 C334 G407 F410 I425 F427 | V327-F405 HydrophobicContact CG1-CB 3.95Å; I330-F405 HydrophobicContact CG2-CD1 4.49Å; I330-F405 HydrophobicContact CG2-CE1 3.91Å; C334-F405 HydrophobicContact CB-CZ 4.35Å; F405-G407 PolarHBondContact O-N 3.01Å; F405-F410 HydrophobicContact CD2-CB 3.98Å; F405-F410 HydrophobicContact CD2-CD2 4.26Å; F405-F410 HydrophobicContact CD2-CG 4.37Å; F405-F410 HydrophobicContact CE2-CB 3.6Å; F405-F410 HydrophobicContact CE2-CD1 4.45Å; F405-F410 AromaticContact CE2-CD2 3.48Å; F405-F410 HydrophobicContact CE2-CD2 3.48Å; F405-F410 VanDerWaalsContact CE2-CD2 3.48Å; F405-F410 HydrophobicContact CE2-CE2 4.26Å; F405-F410 AromaticContact CE2-CG 3.58Å; F405-F410 HydrophobicContact CE2-CG 3.58Å; F405-F410 HydrophobicContact CZ-CD2 4.03Å; F405-F410 HydrophobicContact CZ-CE2 4.39Å; F405-F410 HydrophobicContact CZ-CG 4.39Å; F405-I425 HydrophobicContact CE2-CD1 3.86Å; F405-I425 HydrophobicContact CZ-CD1 3.69Å; F405-F427 HydrophobicContact CD1-CE1 4.32Å; F405-F427 AromaticContact CD1-CZ 3.97Å; F405-F427 HydrophobicContact CD1-CZ 3.97Å; F405-F427 HydrophobicContact CD2-CZ 4.1Å; F405-F427 AromaticContact CE1-CE1 3.92Å; F405-F427 HydrophobicContact CE1-CE1 3.92Å; F405-F427 AromaticContact CE1-CZ 3.76Å; F405-F427 HydrophobicContact CE1-CZ 3.76Å; F405-F427 AromaticContact CE2-CZ 3.9Å; F405-F427 HydrophobicContact CE2-CZ 3.9Å; F405-F427 HydrophobicContact CG-CZ 4.14Å; F405-F427 HydrophobicContact CZ-CE1 4.18Å; F405-F427 AromaticContact CZ-CZ 3.74Å; F405-F427 HydrophobicContact CZ-CZ 3.74Å; F405-F427 WeakPolarHBondContact O-CE2 3.42Å |
| 406 | S | 91.3 | Very high | 87.6 | Confident | 68 Ų | 68 | 50.6 Ų | 50.6 | 48% | 0.476 | 28% | 0.277 | S | S | . | . | trans | -71.4 | 110.2 | 177.2 | 179 | 0 | 0 | 0 | 0 | 111 | L408 R409 F410 | S406-L408 PolarHBondContact O-N 3.21Å; S406-R409 PolarHBondContact O-N 3.37Å; S406-R409 PolarHBondContact OG-N 3.19Å; S406-F410 PolarHBondContact O-N 3Å | ||
| 407 | G | 91.1 | Very high | 87.6 | Confident | 17 Ų | 17 | 55.2 Ų | 55.2 | 18% | 0.175 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59.3 | -34.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113 | F405 F410 G411 | F405-G407 PolarHBondContact O-N 3.01Å; G407-F410 WeakPolarHBondContact O-CB 3.37Å; G407-F410 PolarHBondContact O-N 3.22Å; G407-G411 PolarHBondContact O-N 2.89Å |
| 408 | L | 91.2 | Very high | 87.8 | Confident | 110 Ų | 110 | 54 Ų | 54 | 58% | 0.576 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -64.8 | -45.7 | 176.6 | -69.7 | 172.7 | 0 | 0 | 0 | 112.3 | S406 F410 G411 Q412 K422 | S406-L408 PolarHBondContact O-N 3.21Å; L408-F410 VanDerWaalsContact C-N 3.31Å; L408-F410 PolarHBondContact O-N 3.15Å; L408-G411 PolarHBondContact O-N 2.77Å; L408-Q412 PolarHBondContact O-N 3.09Å; L408-K422 HydrophobicContact CD2-CB 4.21Å; L408-K422 HydrophobicContact CD2-CG 4.47Å |
| 409 | R | 92.5 | Very high | 88.3 | Confident | 187 Ų | 187 | 54.2 Ų | 54.2 | 71% | 0.706 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -64.8 | -39.3 | 177.5 | -175.5 | 179.7 | 178.6 | -179.5 | 0 | 111.2 | S406 Q412 | S406-R409 PolarHBondContact O-N 3.37Å; S406-R409 PolarHBondContact OG-N 3.19Å; R409-Q412 PolarHBondContact O-N 3.12Å |
| 410 | F | 92.6 | Very high | 89 | Confident | 1 Ų | 1 | 54.5 Ų | 54.5 | 0% | 0.004 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.1 | -44.7 | 175.8 | -178 | -86 | 0 | 0 | 0 | 111.5 | E331 C334 D335 I338 F405 S406 G407 L408 Q412 K413 F414 I425 | E331-F410 HydrophobicContact CG-CD2 3.71Å; E331-F410 HydrophobicContact CG-CE2 3.9Å; C334-F410 HydrophobicContact CB-CE2 3.86Å; C334-F410 HydrophobicContact CB-CZ 3.75Å; D335-F410 WeakPolarHBondContact OD1-CE2 3.5Å; D335-F410 WeakPolarHBondContact OD1-CZ 3.27Å; I338-F410 HydrophobicContact CD1-CD1 4.5Å; I338-F410 HydrophobicContact CD1-CE1 3.36Å; I338-F410 HydrophobicContact CD1-CZ 3.77Å; F405-F410 HydrophobicContact CD2-CB 3.98Å; F405-F410 HydrophobicContact CD2-CD2 4.26Å; F405-F410 HydrophobicContact CD2-CG 4.37Å; F405-F410 HydrophobicContact CE2-CB 3.6Å; F405-F410 HydrophobicContact CE2-CD1 4.45Å; F405-F410 AromaticContact CE2-CD2 3.48Å; F405-F410 HydrophobicContact CE2-CD2 3.48Å; F405-F410 VanDerWaalsContact CE2-CD2 3.48Å; F405-F410 HydrophobicContact CE2-CE2 4.26Å; F405-F410 AromaticContact CE2-CG 3.58Å; F405-F410 HydrophobicContact CE2-CG 3.58Å; F405-F410 HydrophobicContact CZ-CD2 4.03Å; F405-F410 HydrophobicContact CZ-CE2 4.39Å; F405-F410 HydrophobicContact CZ-CG 4.39Å; S406-F410 PolarHBondContact O-N 3Å; G407-F410 WeakPolarHBondContact O-CB 3.37Å; G407-F410 PolarHBondContact O-N 3.22Å; L408-F410 VanDerWaalsContact C-N 3.31Å; L408-F410 PolarHBondContact O-N 3.15Å; F410-Q412 VanDerWaalsContact C-N 3.27Å; F410-Q412 PolarHBondContact O-N 3.1Å; F410-K413 WeakPolarHBondContact O-CB 3.38Å; F410-K413 PolarHBondContact O-N 3.42Å; F410-F414 HydrophobicContact CD1-CD2 4.45Å; F410-F414 HydrophobicContact CD1-CE2 4.1Å; F410-F414 HydrophobicContact CE1-CD2 4.04Å; F410-F414 AromaticContact CE1-CE2 3.4Å; F410-F414 HydrophobicContact CE1-CE2 3.4Å; F410-F414 HydrophobicContact CE1-CZ 4.3Å; F410-F414 HydrophobicContact CE2-CE2 4.48Å; F410-F414 AromaticContact CZ-CE2 3.65Å; F410-F414 HydrophobicContact CZ-CE2 3.65Å; F410-F414 HydrophobicContact CZ-CZ 4.21Å; F410-I425 HydrophobicContact CD1-CD1 3.4Å; F410-I425 VanDerWaalsContact CD1-CD1 3.4Å; F410-I425 HydrophobicContact CD1-CG1 4.08Å; F410-I425 HydrophobicContact CD2-CD1 4.35Å; F410-I425 HydrophobicContact CE1-CD1 3.42Å; F410-I425 VanDerWaalsContact CE1-CD1 3.42Å; F410-I425 HydrophobicContact CE1-CG1 4.17Å; F410-I425 HydrophobicContact CE2-CD1 4.3Å; F410-I425 HydrophobicContact CG-CD1 3.91Å; F410-I425 HydrophobicContact CZ-CD1 3.87Å |
| 411 | G | 92.4 | Very high | 90 | Very high | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.01 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.7 | -29.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | G407 L408 K413 F414 P421 | G407-G411 PolarHBondContact O-N 2.89Å; L408-G411 PolarHBondContact O-N 2.77Å; G411-K413 PolarHBondContact O-N 3.35Å; G411-F414 PolarHBondContact O-N 3.35Å; G411-P421 WeakPolarHBondContact CA-O 3.28Å |
| 412 | Q | 93 | Very high | 90.9 | Very high | 141 Ų | 141 | 62.1 Ų | 62.1 | 66% | 0.659 | 32% | 0.319 | S | S | * | . | G | 310 helix | trans | -58.5 | -29.6 | 177 | -72.6 | 175.2 | -15.1 | 0 | 0 | 113.1 | L408 R409 F410 F414 V415 | L408-Q412 PolarHBondContact O-N 3.09Å; R409-Q412 PolarHBondContact O-N 3.12Å; F410-Q412 VanDerWaalsContact C-N 3.27Å; F410-Q412 PolarHBondContact O-N 3.1Å; Q412-F414 PolarHBondContact O-N 3.34Å; Q412-V415 WeakPolarHBondContact O-CG2 3.29Å |
| 413 | K | 93 | Very high | 91.5 | Very high | 96 Ų | 96 | 65.1 Ų | 65.1 | 42% | 0.417 | 34% | 0.336 | S | S | . | . | G | 310 helix | trans | -65.2 | -23.1 | 177.9 | -61.5 | -179.8 | -173.8 | 167.8 | 0 | 113.4 | E331 D335 F410 G411 | E331-K413 WeakPolarHBondContact OE1-CE 3.38Å; E331-K413 IonicContact OE1-NZ 3.26Å; E331-K413 PolarHBondContact OE1-NZ 3.34Å; D335-K413 IonicContact OD1-NZ 2.69Å; D335-K413 PolarHBondContact OD1-NZ 2.92Å; D335-K413 IonicContact OD2-NZ 3.81Å; D335-K413 PolarHBondContact OD2-NZ 3.11Å; F410-K413 WeakPolarHBondContact O-CB 3.38Å; F410-K413 PolarHBondContact O-N 3.42Å; G411-K413 PolarHBondContact O-N 3.35Å |
| 414 | F | 93.3 | Very high | 92 | Very high | 4 Ų | 4 | 58.6 Ų | 58.6 | 2% | 0.018 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -109.1 | 7.3 | -172.6 | -59.7 | -80.1 | 0 | 0 | 0 | 113.3 | I338 E339 I342 F410 G411 Q412 G416 R417 V418 L424 | I338-F414 HydrophobicContact CB-CE1 4.32Å; I338-F414 HydrophobicContact CB-CZ 4.18Å; I338-F414 HydrophobicContact CG2-CD1 3.84Å; I338-F414 HydrophobicContact CG2-CD2 4.42Å; I338-F414 HydrophobicContact CG2-CE1 3.6Å; I338-F414 HydrophobicContact CG2-CE2 4.23Å; I338-F414 HydrophobicContact CG2-CG 4.25Å; I338-F414 HydrophobicContact CG2-CZ 3.81Å; E339-F414 HydrophobicContact CG-CE1 4.16Å; I342-F414 HydrophobicContact CD1-CD1 3.68Å; I342-F414 HydrophobicContact CD1-CE1 4.12Å; F410-F414 HydrophobicContact CD1-CD2 4.45Å; F410-F414 HydrophobicContact CD1-CE2 4.1Å; F410-F414 HydrophobicContact CE1-CD2 4.04Å; F410-F414 AromaticContact CE1-CE2 3.4Å; F410-F414 HydrophobicContact CE1-CE2 3.4Å; F410-F414 HydrophobicContact CE1-CZ 4.3Å; F410-F414 HydrophobicContact CE2-CE2 4.48Å; F410-F414 AromaticContact CZ-CE2 3.65Å; F410-F414 HydrophobicContact CZ-CE2 3.65Å; F410-F414 HydrophobicContact CZ-CZ 4.21Å; G411-F414 PolarHBondContact O-N 3.35Å; Q412-F414 PolarHBondContact O-N 3.34Å; F414-G416 PolarHBondContact O-N 3.35Å; F414-R417 WeakPolarHBondContact O-CB 3.17Å; F414-R417 PolarHBondContact O-N 3.21Å; F414-V418 HydrophobicContact CB-CG1 4.29Å; F414-V418 HydrophobicContact CB-CG2 3.91Å; F414-V418 WeakPolarHBondContact O-CG2 3.43Å; F414-V418 PolarHBondContact O-N 3.07Å; F414-L424 HydrophobicContact CB-CD1 3.93Å; F414-L424 HydrophobicContact CD2-CD1 3.71Å; F414-L424 HydrophobicContact CG-CD1 4.06Å |
| 415 | V | 92.1 | Very high | 92.3 | Very high | 97 Ų | 97 | 57.4 Ų | 57.4 | 59% | 0.588 | 30% | 0.295 | S | S | * | . | B | Isolated β-bridge | trans | -58.2 | 130 | 176.1 | 175.6 | 0 | 0 | 0 | 0 | 110 | Q412 R417 P421 | Q412-V415 WeakPolarHBondContact O-CG2 3.29Å; V415-R417 VanDerWaalsContact C-N 3.29Å; V415-P421 HydrophobicContact CG2-CB 3.93Å; V415-P421 HydrophobicContact CG2-CG 4.32Å |
| 416 | G | 90.3 | Very high | 92.5 | Very high | 57 Ų | 57 | 58.5 Ų | 58.5 | 59% | 0.588 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.1 | -2.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | F414 | F414-G416 PolarHBondContact O-N 3.35Š|
| 417 | R | 91.6 | Very high | 92.4 | Very high | 98 Ų | 98 | 57.9 Ų | 57.9 | 37% | 0.37 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.5 | -22.6 | 172.6 | -62 | 178.1 | 64.3 | -170 | 0.5 | 113.2 | E339 I342 P390 F414 V415 | E339-R417 IonicContact OE1-NH1 3.94Å; I342-R417 HydrophobicContact CD1-CB 4.3Å; P390-R417 WeakPolarHBondContact CD-O 3.47Å; F414-R417 WeakPolarHBondContact O-CB 3.17Å; F414-R417 PolarHBondContact O-N 3.21Å; V415-R417 VanDerWaalsContact C-N 3.29Å |
| 418 | V | 93.8 | Very high | 92.3 | Very high | 1 Ų | 1 | 60.8 Ų | 60.8 | 1% | 0.006 | 31% | 0.305 | C | S | . | . | B | Isolated β-bridge | trans | -131.3 | 151 | -179.3 | -58.6 | 0 | 0 | 0 | 0 | 109.9 | I342 P390 I392 F414 P421 L424 | I342-V418 HydrophobicContact CD1-CG1 3.9Å; I342-V418 HydrophobicContact CG1-CG1 4.07Å; P390-V418 WeakPolarHBondContact O-CA 3.34Å; I392-V418 HydrophobicContact CD1-CG1 3.99Å; I392-V418 HydrophobicContact CG1-CG1 4.48Å; F414-V418 HydrophobicContact CB-CG1 4.29Å; F414-V418 HydrophobicContact CB-CG2 3.91Å; F414-V418 WeakPolarHBondContact O-CG2 3.43Å; F414-V418 PolarHBondContact O-N 3.07Å; V418-P421 HydrophobicContact CG2-CB 4.12Å; V418-L424 HydrophobicContact CB-CD2 4.29Å; V418-L424 HydrophobicContact CG1-CD2 4.33Å; V418-L424 HydrophobicContact CG2-CD1 4.21Å; V418-L424 HydrophobicContact CG2-CD2 3.95Å; V418-L424 HydrophobicContact CG2-CG 4.39Å |
| 419 | A | 94.1 | Very high | 91.8 | Very high | 4 Ų | 4 | 62 Ų | 62 | 3% | 0.033 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -80.8 | -19.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | R30 E389 P390 L391 P421 | R30-A419 HydrophobicContact CG-CB 4.04Å; E389-A419 HydrophobicContact CB-CB 4.33Å; P390-A419 PolarHBondContact O-N 3.38Å; L391-A419 HydrophobicContact CD2-CB 3.84Å; L391-A419 HydrophobicContact CG-CB 4.45Å; A419-P421 VanDerWaalsContact C-CD 3.43Å; A419-P421 WeakPolarHBondContact O-CD 3.32Å |
| 420 | N | 94.4 | Very high | 91.1 | Very high | 7 Ų | 7 | 55.7 Ų | 55.7 | 4% | 0.037 | 28% | 0.282 | C | S | . | . | trans | -123.5 | 58.4 | -176.7 | 65.4 | -42.7 | 0 | 0 | 0 | 113.6 | L272 L391 I392 K422 D423 L424 | L272-N420 WeakPolarHBondContact CD1-ND2 3.26Å; L391-N420 WeakPolarHBondContact CA-OD1 3.48Å; L391-N420 HydrophobicContact CD2-CB 3.67Å; I392-N420 PolarHBondContact N-OD1 2.97Å; I392-N420 PolarHBondContact O-ND2 2.81Å; N420-K422 PolarHBondContact O-N 3.16Å; N420-K422 VanDerWaalsContact O-N 3.12Å; N420-D423 PolarHBondContact O-N 2.92Å; N420-D423 VanDerWaalsContact O-N 3.11Å; N420-L424 PolarHBondContact O-N 2.79Å | ||
| 421 | P | 92.7 | Very high | 90 | Very high | 32 Ų | 32 | 66.1 Ų | 66.1 | 21% | 0.208 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -60.8 | -28.5 | -174.9 | 25 | -34.4 | 0 | 0 | 0 | 113.4 | G411 V415 V418 A419 | G411-P421 WeakPolarHBondContact CA-O 3.28Å; V415-P421 HydrophobicContact CG2-CB 3.93Å; V415-P421 HydrophobicContact CG2-CG 4.32Å; V418-P421 HydrophobicContact CG2-CB 4.12Å; A419-P421 VanDerWaalsContact C-CD 3.43Å; A419-P421 WeakPolarHBondContact O-CD 3.32Å |
| 422 | K | 92.6 | Very high | 88.8 | Confident | 158 Ų | 158 | 69.5 Ų | 69.5 | 69% | 0.687 | 34% | 0.337 | S | S | * | . | G | 310 helix | trans | -73.4 | -26.6 | -179.6 | -64.1 | 179.1 | -178.4 | 174.6 | 0 | 113.5 | L408 N420 | L408-K422 HydrophobicContact CD2-CB 4.21Å; L408-K422 HydrophobicContact CD2-CG 4.47Å; N420-K422 PolarHBondContact O-N 3.16Å; N420-K422 VanDerWaalsContact O-N 3.12Å |
| 423 | D | 92.5 | Very high | 87.5 | Confident | 85 Ų | 85 | 67.9 Ų | 67.9 | 46% | 0.455 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | -119.8 | 25.5 | -167.6 | -69.7 | -54 | 0 | 0 | 0 | 112.8 | L272 R393 N420 I425 | L272-D423 HydrophobicContact CD1-CB 3.81Å; R393-D423 VanDerWaalsContact CD-O 3.23Å; R393-D423 WeakPolarHBondContact CD-O 3.46Å; R393-D423 PolarHBondContact NH1-O 3.36Å; N420-D423 PolarHBondContact O-N 2.92Å; N420-D423 VanDerWaalsContact O-N 3.11Å; D423-I425 PolarHBondContact O-N 2.8Å |
| 424 | L | 92.1 | Very high | 86.3 | Confident | 1 Ų | 1 | 65.1 Ų | 65.1 | 1% | 0.005 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -64.2 | -37.9 | -178.6 | -73.8 | -178.6 | 0 | 0 | 0 | 113.7 | I392 R393 L394 F414 V418 N420 | I392-L424 HydrophobicContact CB-CD2 3.97Å; I392-L424 WeakPolarHBondContact O-CD2 3.31Å; R393-L424 CarbonylContact C-O 3.59Å; R393-L424 WeakPolarHBondContact CA-O 3.29Å; L394-L424 PolarHBondContact N-O 3.14Å; F414-L424 HydrophobicContact CB-CD1 3.93Å; F414-L424 HydrophobicContact CD2-CD1 3.71Å; F414-L424 HydrophobicContact CG-CD1 4.06Å; V418-L424 HydrophobicContact CB-CD2 4.29Å; V418-L424 HydrophobicContact CG1-CD2 4.33Å; V418-L424 HydrophobicContact CG2-CD1 4.21Å; V418-L424 HydrophobicContact CG2-CD2 3.95Å; V418-L424 HydrophobicContact CG2-CG 4.39Å; N420-L424 PolarHBondContact O-N 2.79Å |
| 425 | I | 93 | Very high | 84.9 | Confident | 15 Ų | 15 | 67.4 Ų | 67.4 | 8% | 0.077 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 134.4 | -170.9 | -58.5 | -172.3 | 0 | 0 | 0 | 111.1 | C334 I338 L394 V396 F405 F410 D423 F427 | C334-I425 HydrophobicContact CB-CD1 4.1Å; I338-I425 HydrophobicContact CD1-CD1 4.28Å; I338-I425 HydrophobicContact CD1-CG1 4.34Å; L394-I425 HydrophobicContact CB-CG1 4.29Å; L394-I425 HydrophobicContact CD2-CD1 4.35Å; L394-I425 HydrophobicContact CD2-CG1 4.48Å; L394-I425 WeakPolarHBondContact O-CA 3.43Å; V396-I425 HydrophobicContact CG2-CG2 3.92Å; F405-I425 HydrophobicContact CE2-CD1 3.86Å; F405-I425 HydrophobicContact CZ-CD1 3.69Å; F410-I425 HydrophobicContact CD1-CD1 3.4Å; F410-I425 VanDerWaalsContact CD1-CD1 3.4Å; F410-I425 HydrophobicContact CD1-CG1 4.08Å; F410-I425 HydrophobicContact CD2-CD1 4.35Å; F410-I425 HydrophobicContact CE1-CD1 3.42Å; F410-I425 VanDerWaalsContact CE1-CD1 3.42Å; F410-I425 HydrophobicContact CE1-CG1 4.17Å; F410-I425 HydrophobicContact CE2-CD1 4.3Å; F410-I425 HydrophobicContact CG-CD1 3.91Å; F410-I425 HydrophobicContact CZ-CD1 3.87Å; D423-I425 PolarHBondContact O-N 2.8Å; I425-F427 HydrophobicContact CG2-CD1 4.31Å; I425-F427 HydrophobicContact CG2-CD2 4.48Å; I425-F427 HydrophobicContact CG2-CE1 3.81Å; I425-F427 HydrophobicContact CG2-CE2 3.99Å; I425-F427 HydrophobicContact CG2-CZ 3.64Å |
| 426 | V | 92.4 | Very high | 83.8 | Confident | 49 Ų | 49 | 65.1 Ų | 65.1 | 30% | 0.297 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 134 | 166 | 174.4 | 0 | 0 | 0 | 0 | 109.6 | R393 L394 R395 V396 | R393-V426 VanDerWaalsContact NH1-CG2 3.3Å; L394-V426 PolarHBondContact O-N 3.07Å; R395-V426 CarbonylContact C-O 3.59Å; R395-V426 WeakPolarHBondContact CA-O 3.41Å; V396-V426 PolarHBondContact N-O 2.91Å |
| 427 | F | 90.7 | Very high | 82.6 | Confident | 54 Ų | 54 | 63.3 Ų | 63.3 | 24% | 0.237 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 120.1 | 171.5 | -60.9 | -70 | 0 | 0 | 0 | 109.8 | V396 L398 F405 I425 | V396-F427 HydrophobicContact CB-CD1 3.9Å; V396-F427 HydrophobicContact CB-CE1 4.18Å; V396-F427 HydrophobicContact CG1-CD1 4.13Å; V396-F427 HydrophobicContact CG1-CE1 4.29Å; V396-F427 HydrophobicContact CG2-CE1 4.46Å; V396-F427 WeakPolarHBondContact O-CA 3.45Å; L398-F427 HydrophobicContact CD1-CB 3.65Å; L398-F427 HydrophobicContact CD1-CD1 3.97Å; L398-F427 HydrophobicContact CD1-CG 4.03Å; L398-F427 HydrophobicContact CD2-CD1 3.9Å; L398-F427 HydrophobicContact CG-CB 4.15Å; L398-F427 HydrophobicContact CG-CD1 4.06Å; F405-F427 HydrophobicContact CD1-CE1 4.32Å; F405-F427 AromaticContact CD1-CZ 3.97Å; F405-F427 HydrophobicContact CD1-CZ 3.97Å; F405-F427 HydrophobicContact CD2-CZ 4.1Å; F405-F427 AromaticContact CE1-CE1 3.92Å; F405-F427 HydrophobicContact CE1-CE1 3.92Å; F405-F427 AromaticContact CE1-CZ 3.76Å; F405-F427 HydrophobicContact CE1-CZ 3.76Å; F405-F427 AromaticContact CE2-CZ 3.9Å; F405-F427 HydrophobicContact CE2-CZ 3.9Å; F405-F427 HydrophobicContact CG-CZ 4.14Å; F405-F427 HydrophobicContact CZ-CE1 4.18Å; F405-F427 AromaticContact CZ-CZ 3.74Å; F405-F427 HydrophobicContact CZ-CZ 3.74Å; F405-F427 WeakPolarHBondContact O-CE2 3.42Å; I425-F427 HydrophobicContact CG2-CD1 4.31Å; I425-F427 HydrophobicContact CG2-CD2 4.48Å; I425-F427 HydrophobicContact CG2-CE1 3.81Å; I425-F427 HydrophobicContact CG2-CE2 3.99Å; I425-F427 HydrophobicContact CG2-CZ 3.64Å |
| 428 | N | 87.2 | Confident | 81.6 | Confident | 79 Ų | 79 | 63.9 Ų | 63.9 | 42% | 0.422 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 144.5 | 171.2 | -163.8 | 0.5 | 0 | 0 | 0 | 109.7 | V396 L398 | V396-N428 PolarHBondContact O-N 2.82Å; L398-N428 WeakPolarHBondContact CB-O 3.33Å; L398-N428 PolarHBondContact N-O 2.83Å |
| 429 | R | 82 | Confident | 80.5 | Confident | 134 Ų | 134 | 66.2 Ų | 66.2 | 51% | 0.506 | 33% | 0.334 | S | S | . | . | trans | -132.3 | 104.8 | 175.9 | -70.6 | 175.8 | -175.6 | 179.9 | 4.3 | 107.5 | L398 S404 R431 L434 | L398-R429 HydrophobicContact CB-CG 3.9Å; L398-R429 HydrophobicContact CD1-CG 4.09Å; S404-R429 PolarHBondContact OG-NH2 2.69Å; R429-R431 PolarHBondContact O-N 2.84Å; R429-L434 HydrophobicContact CG-CD1 4.45Å | ||
| 430 | N | 76.6 | Confident | 79.3 | Confident | 55 Ų | 55 | 70.6 Ų | 70.6 | 29% | 0.294 | 36% | 0.357 | S | S | . | . | trans | -72.1 | 112.4 | 167.4 | -177.1 | -35.3 | 0 | 0 | 0 | 107.8 | S399 E432 K433 L434 | S399-N430 VanDerWaalsContact OG-CB 3.31Å; S399-N430 WeakPolarHBondContact OG-CB 3.49Å; S399-N430 PolarHBondContact OG-N 2.97Å; N430-E432 PolarHBondContact O-N 2.81Å; N430-E432 WeakPolarHBondContact OD1-CB 3.41Å; N430-E432 PolarHBondContact OD1-N 3.09Å; N430-K433 HydrophobicContact CB-CB 4.13Å; N430-K433 HydrophobicContact CB-CD 4.24Å; N430-K433 HydrophobicContact CB-CG 4.17Å; N430-K433 PolarHBondContact O-N 3Å; N430-K433 PolarHBondContact OD1-N 2.94Å; N430-L434 VanDerWaalsContact O-CB 3.26Å; N430-L434 WeakPolarHBondContact O-CB 3.1Å; N430-L434 PolarHBondContact O-N 3.25Å | ||
| 431 | R | 70.5 | Confident | 77.8 | Confident | 220 Ų | 220 | 74.3 Ų | 74.3 | 83% | 0.83 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -56.5 | -36.6 | -176.6 | -79.2 | -178.1 | 163.6 | -176.8 | -4 | 112.5 | R429 L434 A435 | R429-R431 PolarHBondContact O-N 2.84Å; R431-L434 PolarHBondContact O-N 2.82Å; R431-A435 WeakPolarHBondContact O-CB 3.26Å; R431-A435 PolarHBondContact O-N 2.86Å |
| 432 | E | 67.6 | Low | 76.7 | Confident | 73 Ų | 73 | 75.7 Ų | 75.7 | 34% | 0.341 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -74.9 | -45.2 | -176.8 | -67 | 149.3 | 170.5 | 0 | 0 | 111.2 | N430 L434 A435 A436 V466 G467 | N430-E432 PolarHBondContact O-N 2.81Å; N430-E432 WeakPolarHBondContact OD1-CB 3.41Å; N430-E432 PolarHBondContact OD1-N 3.09Å; E432-L434 VanDerWaalsContact C-N 3.26Å; E432-L434 PolarHBondContact O-N 3.46Å; E432-A435 PolarHBondContact O-N 2.87Å; E432-A436 WeakPolarHBondContact O-CB 3.19Å; E432-A436 PolarHBondContact O-N 2.84Å; E432-V466 HydrophobicContact CB-CB 4.26Å; E432-V466 HydrophobicContact CB-CG1 3.89Å; E432-V466 HydrophobicContact CG-CB 4.06Å; E432-V466 HydrophobicContact CG-CG1 3.54Å; E432-V466 WeakPolarHBondContact OE2-CB 3.46Å; E432-G467 PolarHBondContact OE1-N 3.48Å |
| 433 | K | 66 | Low | 75.4 | Confident | 107 Ų | 107 | 73.3 Ų | 73.3 | 47% | 0.465 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -63.9 | -35.8 | 174.2 | -66.5 | -172.1 | 177.9 | -175.4 | 0 | 111.4 | N430 A436 A437 | N430-K433 HydrophobicContact CB-CB 4.13Å; N430-K433 HydrophobicContact CB-CD 4.24Å; N430-K433 HydrophobicContact CB-CG 4.17Å; N430-K433 PolarHBondContact O-N 3Å; N430-K433 PolarHBondContact OD1-N 2.94Å; K433-A436 PolarHBondContact O-N 3.08Å; K433-A437 VanDerWaalsContact O-CB 3.28Å; K433-A437 WeakPolarHBondContact O-CB 3.28Å; K433-A437 PolarHBondContact O-N 2.95Å |
| 434 | L | 66.1 | Low | 73.9 | Confident | 37 Ų | 37 | 77.5 Ų | 77.5 | 19% | 0.194 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -68.5 | -42.4 | 175.9 | -173.5 | 137.8 | 0 | 0 | 0 | 111.6 | R429 N430 R431 E432 A437 Q438 | R429-L434 HydrophobicContact CG-CD1 4.45Å; N430-L434 VanDerWaalsContact O-CB 3.26Å; N430-L434 WeakPolarHBondContact O-CB 3.1Å; N430-L434 PolarHBondContact O-N 3.25Å; R431-L434 PolarHBondContact O-N 2.82Å; E432-L434 VanDerWaalsContact C-N 3.26Å; E432-L434 PolarHBondContact O-N 3.46Å; L434-A437 PolarHBondContact O-N 2.92Å; L434-Q438 HydrophobicContact CD2-CG 4.34Å; L434-Q438 WeakPolarHBondContact O-CB 3.45Å; L434-Q438 VanDerWaalsContact O-CG 3.26Å; L434-Q438 WeakPolarHBondContact O-CG 3.45Å; L434-Q438 PolarHBondContact O-N 3.47Å |
| 435 | A | 65.4 | Low | 72.2 | Confident | 52 Ų | 52 | 81.9 Ų | 81.9 | 43% | 0.43 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -62.1 | -43.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | R431 E432 Q438 A439 | R431-A435 WeakPolarHBondContact O-CB 3.26Å; R431-A435 PolarHBondContact O-N 2.86Å; E432-A435 PolarHBondContact O-N 2.87Å; A435-Q438 PolarHBondContact O-N 3.45Å; A435-A439 WeakPolarHBondContact O-CB 3.28Å; A435-A439 PolarHBondContact O-N 3.12Å |
| 436 | A | 68.2 | Low | 70.2 | Confident | 50 Ų | 50 | 84.1 Ų | 84.1 | 41% | 0.413 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -62.5 | -43.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | E432 K433 Q438 A439 N440 | E432-A436 WeakPolarHBondContact O-CB 3.19Å; E432-A436 PolarHBondContact O-N 2.84Å; K433-A436 PolarHBondContact O-N 3.08Å; A436-Q438 PolarHBondContact O-N 2.84Å; A436-A439 PolarHBondContact O-N 3.35Å; A436-N440 WeakPolarHBondContact O-CB 3.37Å; A436-N440 VanDerWaalsContact O-CG 3.29Å; A436-N440 PolarHBondContact O-N 3.22Å; A436-N440 PolarHBondContact O-ND2 3.41Å |
| 437 | A | 66.3 | Low | 68.1 | Low | 18 Ų | 18 | 87.6 Ų | 87.6 | 15% | 0.149 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -64.7 | -38.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | K433 L434 R441 | K433-A437 VanDerWaalsContact O-CB 3.28Å; K433-A437 WeakPolarHBondContact O-CB 3.28Å; K433-A437 PolarHBondContact O-N 2.95Å; L434-A437 PolarHBondContact O-N 2.92Å; A437-R441 VanDerWaalsContact O-CG 3.28Å; A437-R441 WeakPolarHBondContact O-CG 2.88Å; A437-R441 PolarHBondContact O-N 3.46Å |
| 438 | Q | 69.5 | Low | 65.7 | Low | 111 Ų | 111 | 93.3 Ų | 93.3 | 52% | 0.519 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67.4 | -42.1 | 174.8 | -75.6 | 177.8 | -13.2 | 0 | 0 | 112 | L434 A435 A436 R441 A442 | L434-Q438 HydrophobicContact CD2-CG 4.34Å; L434-Q438 WeakPolarHBondContact O-CB 3.45Å; L434-Q438 VanDerWaalsContact O-CG 3.26Å; L434-Q438 WeakPolarHBondContact O-CG 3.45Å; L434-Q438 PolarHBondContact O-N 3.47Å; A435-Q438 PolarHBondContact O-N 3.45Å; A436-Q438 PolarHBondContact O-N 2.84Å; Q438-R441 WeakPolarHBondContact O-CB 3.45Å; Q438-R441 PolarHBondContact O-N 2.86Å; Q438-A442 PolarHBondContact O-N 3.08Å |
| 439 | A | 70.2 | Confident | 63 | Low | 50 Ų | 50 | 97.1 Ų | 97.1 | 41% | 0.413 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.3 | -44.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | A435 A436 R441 A442 L443 | A435-A439 WeakPolarHBondContact O-CB 3.28Å; A435-A439 PolarHBondContact O-N 3.12Å; A436-A439 PolarHBondContact O-N 3.35Å; A439-R441 VanDerWaalsContact C-N 3.29Å; A439-R441 PolarHBondContact O-N 3.37Å; A439-A442 PolarHBondContact O-N 3.06Å; A439-L443 WeakPolarHBondContact O-CG 3.46Å; A439-L443 PolarHBondContact O-N 2.67Å |
| 440 | N | 69.2 | Low | 60.8 | Low | 96 Ų | 96 | 95.5 Ų | 95.5 | 51% | 0.513 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.3 | -35.2 | 175.2 | -74.8 | -26.4 | 0 | 0 | 0 | 112.6 | A436 K444 | A436-N440 WeakPolarHBondContact O-CB 3.37Å; A436-N440 VanDerWaalsContact O-CG 3.29Å; A436-N440 PolarHBondContact O-N 3.22Å; A436-N440 PolarHBondContact O-ND2 3.41Å; N440-K444 WeakPolarHBondContact O-CG 3.33Å; N440-K444 PolarHBondContact O-N 2.77Å; N440-K444 VanDerWaalsContact O-N 3.09Å |
| 441 | R | 64.2 | Low | 58.5 | Low | 84 Ų | 84 | 99.4 Ų | 99.4 | 32% | 0.317 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -68.3 | -43.5 | 173.8 | -74.2 | 171.8 | -172.5 | -164.6 | -2.5 | 111.9 | G400 G401 A437 Q438 A439 L443 K444 S445 | G400-R441 PolarHBondContact O-NH2 3.01Å; G401-R441 PolarHBondContact O-NH1 2.58Å; G401-R441 PolarHBondContact O-NH2 2.97Å; A437-R441 VanDerWaalsContact O-CG 3.28Å; A437-R441 WeakPolarHBondContact O-CG 2.88Å; A437-R441 PolarHBondContact O-N 3.46Å; Q438-R441 WeakPolarHBondContact O-CB 3.45Å; Q438-R441 PolarHBondContact O-N 2.86Å; A439-R441 VanDerWaalsContact C-N 3.29Å; A439-R441 PolarHBondContact O-N 3.37Å; R441-L443 VanDerWaalsContact C-N 3.33Å; R441-L443 PolarHBondContact O-N 3.49Å; R441-K444 PolarHBondContact O-N 3.04Å; R441-S445 PolarHBondContact O-N 3.49Å; R441-S445 PolarHBondContact O-OG 2.82Å |
| 442 | A | 68.8 | Low | 56.8 | Low | 61 Ų | 61 | 96.5 Ų | 96.5 | 50% | 0.504 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -60.8 | -43 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q438 A439 S445 G446 | Q438-A442 PolarHBondContact O-N 3.08Å; A439-A442 PolarHBondContact O-N 3.06Å; A442-S445 WeakPolarHBondContact CA-OG 3.31Å; A442-S445 PolarHBondContact O-N 3.06Å; A442-S445 PolarHBondContact O-OG 3.22Å; A442-G446 PolarHBondContact O-N 3.24Å; A442-G446 VanDerWaalsContact O-N 3.15Å |
| 443 | L | 64.9 | Low | 55.1 | Low | 108 Ų | 108 | 98.5 Ų | 98.5 | 57% | 0.565 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -62.3 | -43.1 | 175.1 | -71.6 | 165.5 | 0 | 0 | 0 | 112.1 | A439 R441 S445 G446 L447 | A439-L443 WeakPolarHBondContact O-CG 3.46Å; A439-L443 PolarHBondContact O-N 2.67Å; R441-L443 VanDerWaalsContact C-N 3.33Å; R441-L443 PolarHBondContact O-N 3.49Å; L443-S445 PolarHBondContact O-N 2.96Å; L443-G446 PolarHBondContact O-N 3.37Å; L443-L447 PolarHBondContact O-N 3.16Å |
| 444 | K | 60.6 | Low | 53.3 | Low | 174 Ų | 174 | 98 Ų | 98 | 76% | 0.757 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -68.4 | -30.7 | 176.8 | -76.5 | -177.4 | 179.5 | -176.2 | 0 | 113.8 | N440 R441 | N440-K444 WeakPolarHBondContact O-CG 3.33Å; N440-K444 PolarHBondContact O-N 2.77Å; N440-K444 VanDerWaalsContact O-N 3.09Å; R441-K444 PolarHBondContact O-N 3.04Å |
| 445 | S | 57 | Low | 51.8 | Low | 93 Ų | 93 | 103.4 Ų | 103.4 | 65% | 0.65 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -77.7 | -20.3 | 174.9 | 54.5 | 0 | 0 | 0 | 0 | 114 | R441 A442 L443 | R441-S445 PolarHBondContact O-N 3.49Å; R441-S445 PolarHBondContact O-OG 2.82Å; A442-S445 WeakPolarHBondContact CA-OG 3.31Å; A442-S445 PolarHBondContact O-N 3.06Å; A442-S445 PolarHBondContact O-OG 3.22Å; L443-S445 PolarHBondContact O-N 2.96Å |
| 446 | G | 50 | Low | 50.3 | Low | 61 Ų | 61 | 107 Ų | 107 | 63% | 0.629 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -92.6 | -19.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | A442 L443 | A442-G446 PolarHBondContact O-N 3.24Å; A442-G446 VanDerWaalsContact O-N 3.15Å; L443-G446 PolarHBondContact O-N 3.37Å |
| 447 | L | 48.9 | Very low | 48.6 | Very low | 123 Ų | 123 | 112.1 Ų | 112.1 | 64% | 0.644 | 65% | 0.648 | S | S | * | * | trans | -105 | 73.8 | -179.5 | -90.1 | 77.8 | 0 | 0 | 0 | 111.4 | L443 | L443-L447 PolarHBondContact O-N 3.16Š| ||
| 448 | Q | 40.1 | Very low | 47.1 | Very low | 174 Ų | 174 | 120.5 Ų | 120.5 | 81% | 0.813 | 68% | 0.684 | S | S | * | * | trans | -101 | 6.3 | 165.2 | -77.5 | -169.8 | -5.8 | 0 | 0 | 113.8 | ||||
| 449 | N | 32.1 | Very low | 45.4 | Very low | 159 Ų | 159 | 123.1 Ų | 123.1 | 85% | 0.85 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -141.4 | 73.7 | 179.8 | -79.1 | -26.6 | 0 | 0 | 0 | 112.5 | ||
| 450 | S | 33.9 | Very low | 43.6 | Very low | 100 Ų | 100 | 130.4 Ų | 130.4 | 70% | 0.699 | 72% | 0.723 | S | S | * | * | trans | 177.1 | 110.2 | 146.1 | 55.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 451 | T | 29.1 | Very low | 42.2 | Very low | 137 Ų | 137 | 131.2 Ų | 131.2 | 84% | 0.84 | 73% | 0.731 | S | S | * | * | trans | -54.3 | 127.4 | 159.8 | -47.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 452 | I | 35.1 | Very low | 40.8 | Very low | 159 Ų | 159 | 134 Ų | 134 | 82% | 0.815 | 75% | 0.748 | S | S | * | * | trans | -179.8 | 126.4 | 143.8 | -87.6 | 146.7 | 0 | 0 | 0 | 110.5 | ||||
| 453 | C | 31 | Very low | 39.4 | Very low | 115 Ų | 115 | 137 Ų | 137 | 78% | 0.777 | 77% | 0.766 | S | S | * | * | trans | 52.2 | 110.3 | 154.4 | -71.6 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 454 | S | 29.6 | Very low | 38.4 | Very low | 96 Ų | 96 | 139.1 Ų | 139.1 | 67% | 0.671 | 77% | 0.77 | S | S | * | * | trans | -22.5 | 125.2 | 137 | 43.9 | 0 | 0 | 0 | 0 | 118 | ||||
| 455 | D | 34.6 | Very low | 37.6 | Very low | 151 Ų | 151 | 140.5 Ų | 140.5 | 81% | 0.807 | 78% | 0.776 | S | S | * | * | 165.9 | 114.4 | 116.1 | -80.4 | -21.9 | 0 | 0 | 0 | 109.3 | |||||
| 456 | P | 33.5 | Very low | 37 | Very low | 126 Ų | 126 | 141 Ų | 141 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | trans | -121.6 | 74.6 | 169.9 | 37.2 | -21 | 0 | 0 | 0 | 110.2 | ||||
| 457 | D | 31 | Very low | 37 | Very low | 158 Ų | 158 | 139.9 Ų | 139.9 | 85% | 0.845 | 76% | 0.764 | S | S | * | * | trans | -119 | 141.5 | 158 | -80.3 | -35.6 | 0 | 0 | 0 | 106.8 | ||||
| 458 | E | 35.2 | Very low | 37.2 | Very low | 194 Ų | 194 | 138.8 Ų | 138.8 | 91% | 0.907 | 76% | 0.758 | S | S | * | * | trans | 92.2 | 79 | -178 | -51.6 | -171.4 | 179.4 | 0 | 0 | 117.2 | ||||
| 459 | M | 34.7 | Very low | 38 | Very low | 166 Ų | 166 | 135.4 Ų | 135.4 | 82% | 0.818 | 75% | 0.746 | S | S | * | * | trans | -158.9 | 93.4 | 140.5 | -116.7 | 178.4 | 71.3 | 0 | 0 | 110.4 | V461 | M459-V461 HydrophobicContact CE-CG2 3.87Å; M459-V461 PolarHBondContact O-N 3.19Å | ||
| 460 | E | 32.4 | Very low | 39.2 | Very low | 203 Ų | 203 | 131 Ų | 131 | 95% | 0.949 | 73% | 0.728 | S | S | * | * | trans | -62.7 | 112.1 | 160.9 | -75.7 | -177.3 | 149.5 | 0 | 0 | 108.5 | ||||
| 461 | V | 40.1 | Very low | 40.5 | Very low | 113 Ų | 113 | 129.2 Ų | 129.2 | 69% | 0.685 | 72% | 0.718 | S | S | * | * | trans | -101 | 100.9 | 172.3 | -178.5 | 0 | 0 | 0 | 0 | 107.7 | M459 S463 | M459-V461 HydrophobicContact CE-CG2 3.87Å; M459-V461 PolarHBondContact O-N 3.19Å; V461-S463 PolarHBondContact O-N 3.44Å | ||
| 462 | E | 35.1 | Very low | 42.2 | Very low | 142 Ų | 142 | 126.9 Ų | 126.9 | 66% | 0.664 | 70% | 0.698 | S | S | * | * | trans | -49 | 122.2 | 163.4 | -80 | -173.4 | 156.6 | 0 | 0 | 109.5 | K464 | E462-K464 VanDerWaalsContact C-N 3.29Å; E462-K464 PolarHBondContact O-N 3.39Å; E462-K464 IonicContact OE2-NZ 2.79Å; E462-K464 PolarHBondContact OE2-NZ 3.41Å | ||
| 463 | S | 37.8 | Very low | 43.4 | Very low | 126 Ų | 126 | 122.4 Ų | 122.4 | 88% | 0.881 | 68% | 0.678 | S | S | * | * | trans | -64.1 | 82.5 | 174 | 46.4 | 0 | 0 | 0 | 0 | 111.3 | V461 | V461-S463 PolarHBondContact O-N 3.44Š| ||
| 464 | K | 43.8 | Very low | 44.6 | Very low | 151 Ų | 151 | 118.2 Ų | 118.2 | 66% | 0.657 | 65% | 0.647 | S | S | * | * | trans | -99.4 | 133.8 | 164 | -78.5 | 171 | -179.9 | 140.1 | 0 | 109 | E462 V466 | E462-K464 VanDerWaalsContact C-N 3.29Å; E462-K464 PolarHBondContact O-N 3.39Å; E462-K464 IonicContact OE2-NZ 2.79Å; E462-K464 PolarHBondContact OE2-NZ 3.41Å; K464-V466 PolarHBondContact O-N 2.9Å; K464-V466 VanDerWaalsContact O-N 3.15Å | ||
| 465 | K | 45.3 | Very low | 46.3 | Very low | 203 Ų | 203 | 118 Ų | 118 | 88% | 0.883 | 64% | 0.636 | S | S | * | * | trans | -39.5 | 116.2 | 176.7 | -66.4 | 172.1 | 177.2 | -179.7 | 0 | 109.6 | ||||
| 466 | V | 44.5 | Very low | 48 | Very low | 103 Ų | 103 | 116 Ų | 116 | 62% | 0.624 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -84.6 | 144.9 | 168.5 | -178.5 | 0 | 0 | 0 | 0 | 105.8 | E432 K464 | E432-V466 HydrophobicContact CB-CB 4.26Å; E432-V466 HydrophobicContact CB-CG1 3.89Å; E432-V466 HydrophobicContact CG-CB 4.06Å; E432-V466 HydrophobicContact CG-CG1 3.54Å; E432-V466 WeakPolarHBondContact OE2-CB 3.46Å; K464-V466 PolarHBondContact O-N 2.9Å; K464-V466 VanDerWaalsContact O-N 3.15Å |
| 467 | G | 49.5 | Very low | 49.6 | Very low | 38 Ų | 38 | 112 Ų | 112 | 39% | 0.392 | 60% | 0.597 | S | S | . | * | S | Bend | trans | 114.1 | 76.4 | -157.2 | 0 | 0 | 0 | 0 | 0 | 107.5 | E432 N469 | E432-G467 PolarHBondContact OE1-N 3.48Å; G467-N469 PolarHBondContact O-N 2.87Å; G467-N469 VanDerWaalsContact O-N 3.12Å |
| 468 | L | 52.1 | Low | 51.2 | Low | 100 Ų | 100 | 109.3 Ų | 109.3 | 52% | 0.524 | 58% | 0.575 | S | S | . | * | trans | -62.7 | 116.2 | 171.7 | -68 | 168.8 | 0 | 0 | 0 | 106.9 | E472 V473 | L468-E472 VanDerWaalsContact CA-OE2 3.28Å; L468-E472 WeakPolarHBondContact CA-OE2 3.41Å; L468-E472 HydrophobicContact CB-CB 4.09Å; L468-E472 HydrophobicContact CD2-CB 3.71Å; L468-V473 HydrophobicContact CB-CG2 3.41Å; L468-V473 VanDerWaalsContact CB-CG2 3.41Å; L468-V473 HydrophobicContact CD1-CG2 4.02Å; L468-V473 HydrophobicContact CG-CG2 4.35Å | ||
| 469 | N | 58.1 | Low | 52.9 | Low | 104 Ų | 104 | 105.1 Ų | 105.1 | 56% | 0.556 | 56% | 0.555 | S | S | * | * | trans | -57.5 | 156.5 | 167.9 | -67.3 | -46.7 | 0 | 0 | 0 | 108.8 | G467 A471 E472 V473 | G467-N469 PolarHBondContact O-N 2.87Å; G467-N469 VanDerWaalsContact O-N 3.12Å; N469-A471 PolarHBondContact O-N 3.11Å; N469-E472 HydrophobicContact CB-CG 4.25Å; N469-E472 PolarHBondContact N-OE2 3.26Å; N469-E472 WeakPolarHBondContact O-CA 3.43Å; N469-E472 PolarHBondContact O-N 3.21Å; N469-V473 PolarHBondContact O-N 2.82Å | ||
| 470 | S | 57 | Low | 54.5 | Low | 67 Ų | 67 | 103.4 Ų | 103.4 | 47% | 0.469 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -47.1 | -43.7 | 176.6 | -163.2 | 0 | 0 | 0 | 0 | 111.1 | E472 V473 E474 | S470-E472 PolarHBondContact O-N 3.24Å; S470-V473 PolarHBondContact O-N 3.02Å; S470-E474 WeakPolarHBondContact CB-OE1 3.47Å; S470-E474 WeakPolarHBondContact O-CB 3.42Å; S470-E474 WeakPolarHBondContact O-CG 3.42Å; S470-E474 PolarHBondContact O-N 3.16Å; S470-E474 PolarHBondContact OG-OE1 2.93Å |
| 471 | A | 60.9 | Low | 56.1 | Low | 61 Ų | 61 | 96.8 Ų | 96.8 | 50% | 0.504 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -58 | -36.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | N469 E474 E475 | N469-A471 PolarHBondContact O-N 3.11Å; A471-E474 VanDerWaalsContact CA-OE2 3.28Å; A471-E474 WeakPolarHBondContact CA-OE2 3.38Å; A471-E475 WeakPolarHBondContact O-CB 3.31Å; A471-E475 PolarHBondContact O-N 2.94Å |
| 472 | E | 64.4 | Low | 57.3 | Low | 88 Ų | 88 | 93 Ų | 93 | 41% | 0.411 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -80.1 | -35.5 | -179.8 | -64.6 | 171.6 | 162.7 | 0 | 0 | 111.4 | L468 N469 S470 E474 L476 | L468-E472 VanDerWaalsContact CA-OE2 3.28Å; L468-E472 WeakPolarHBondContact CA-OE2 3.41Å; L468-E472 HydrophobicContact CB-CB 4.09Å; L468-E472 HydrophobicContact CD2-CB 3.71Å; N469-E472 HydrophobicContact CB-CG 4.25Å; N469-E472 PolarHBondContact N-OE2 3.26Å; N469-E472 WeakPolarHBondContact O-CA 3.43Å; N469-E472 PolarHBondContact O-N 3.21Å; S470-E472 PolarHBondContact O-N 3.24Å; E472-E474 VanDerWaalsContact C-N 3.35Å; E472-L476 WeakPolarHBondContact O-CB 3.32Å; E472-L476 PolarHBondContact O-N 3.18Å |
| 473 | V | 60.2 | Low | 58.8 | Low | 65 Ų | 65 | 91.1 Ų | 91.1 | 39% | 0.394 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.1 | -44.6 | 169.1 | -178.2 | 0 | 0 | 0 | 0 | 110 | L468 N469 S470 E475 L476 V477 | L468-V473 HydrophobicContact CB-CG2 3.41Å; L468-V473 VanDerWaalsContact CB-CG2 3.41Å; L468-V473 HydrophobicContact CD1-CG2 4.02Å; L468-V473 HydrophobicContact CG-CG2 4.35Å; N469-V473 PolarHBondContact O-N 2.82Å; S470-V473 PolarHBondContact O-N 3.02Å; V473-E475 PolarHBondContact O-N 3.39Å; V473-L476 PolarHBondContact O-N 3.38Å; V473-V477 HydrophobicContact CG1-CG2 4.39Å; V473-V477 VanDerWaalsContact O-CG2 3.31Å; V473-V477 WeakPolarHBondContact O-CG2 3.48Å; V473-V477 PolarHBondContact O-N 2.87Å |
| 474 | E | 57.4 | Low | 59.8 | Low | 28 Ų | 28 | 89.4 Ų | 89.4 | 13% | 0.131 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -59.4 | -44.5 | 178.7 | -73.8 | 154.3 | -161.8 | 0 | 0 | 112.1 | S470 A471 E472 V477 R478 T505 | S470-E474 WeakPolarHBondContact CB-OE1 3.47Å; S470-E474 WeakPolarHBondContact O-CB 3.42Å; S470-E474 WeakPolarHBondContact O-CG 3.42Å; S470-E474 PolarHBondContact O-N 3.16Å; S470-E474 PolarHBondContact OG-OE1 2.93Å; A471-E474 VanDerWaalsContact CA-OE2 3.28Å; A471-E474 WeakPolarHBondContact CA-OE2 3.38Å; E472-E474 VanDerWaalsContact C-N 3.35Å; E474-V477 PolarHBondContact O-N 2.81Å; E474-R478 WeakPolarHBondContact O-CB 2.68Å; E474-R478 PolarHBondContact O-N 3.36Å; E474-T505 HydrophobicContact CB-CG2 4.26Å; E474-T505 WeakPolarHBondContact OE2-CB 3.1Å; E474-T505 VanDerWaalsContact OE2-CG2 3.27Å; E474-T505 WeakPolarHBondContact OE2-CG2 2.94Å |
| 475 | E | 64.8 | Low | 60.6 | Low | 92 Ų | 92 | 83.8 Ų | 83.8 | 43% | 0.43 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -67.9 | -37.3 | 177.1 | -175.7 | 59 | -164.2 | 0 | 0 | 111.9 | A471 V473 R478 H479 | A471-E475 WeakPolarHBondContact O-CB 3.31Å; A471-E475 PolarHBondContact O-N 2.94Å; V473-E475 PolarHBondContact O-N 3.39Å; E475-R478 PolarHBondContact O-N 3.23Å; E475-R478 IonicContact OE1-CZ 3.31Å; E475-R478 IonicContact OE1-NE 2.68Å; E475-R478 PolarHBondContact OE1-NE 3.47Å; E475-R478 IonicContact OE1-NH2 2.91Å; E475-R478 PolarHBondContact OE1-NH2 2.98Å; E475-R478 IonicContact OE2-CZ 2.66Å; E475-R478 IonicContact OE2-NE 2.78Å; E475-R478 PolarHBondContact OE2-NE 3.43Å; E475-R478 IonicContact OE2-NH2 3.96Å; E475-H479 WeakPolarHBondContact O-CB 3.5Å; E475-H479 PolarHBondContact O-N 2.72Å |
| 476 | L | 70.1 | Confident | 61.2 | Low | 109 Ų | 109 | 79.7 Ų | 79.7 | 57% | 0.571 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -65.8 | -40.5 | 176.3 | -151.9 | 111.1 | 0 | 0 | 0 | 111.6 | E472 V473 H479 Y480 | E472-L476 WeakPolarHBondContact O-CB 3.32Å; E472-L476 PolarHBondContact O-N 3.18Å; V473-L476 PolarHBondContact O-N 3.38Å; L476-H479 PolarHBondContact O-N 2.88Å; L476-Y480 WeakPolarHBondContact O-CB 3.33Å; L476-Y480 PolarHBondContact O-N 3.41Å |
| 477 | V | 66.8 | Low | 61.8 | Low | 41 Ų | 41 | 79.2 Ų | 79.2 | 25% | 0.248 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -66.9 | -41.9 | 175.4 | 174.7 | 0 | 0 | 0 | 0 | 110.9 | V473 E474 H479 Y480 L481 L512 | V473-V477 HydrophobicContact CG1-CG2 4.39Å; V473-V477 VanDerWaalsContact O-CG2 3.31Å; V473-V477 WeakPolarHBondContact O-CG2 3.48Å; V473-V477 PolarHBondContact O-N 2.87Å; E474-V477 PolarHBondContact O-N 2.81Å; V477-H479 VanDerWaalsContact C-N 3.33Å; V477-H479 PolarHBondContact O-N 3.48Å; V477-Y480 PolarHBondContact O-N 2.66Å; V477-L481 HydrophobicContact CG1-CD1 3.97Å; V477-L481 HydrophobicContact CG1-CG 4.38Å; V477-L481 WeakPolarHBondContact O-CB 3.16Å; V477-L481 WeakPolarHBondContact O-CG 3.39Å; V477-L481 PolarHBondContact O-N 3.46Å; V477-L512 HydrophobicContact CG1-CD1 3.6Å; V477-L512 HydrophobicContact CG1-CD2 4.45Å |
| 478 | R | 65.4 | Low | 62.1 | Low | 102 Ų | 102 | 85.5 Ų | 85.5 | 39% | 0.385 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -58.4 | -46.2 | 174 | -168.2 | -171 | 74.5 | 74.6 | 2.6 | 111 | E474 E475 L482 | E474-R478 WeakPolarHBondContact O-CB 2.68Å; E474-R478 PolarHBondContact O-N 3.36Å; E475-R478 PolarHBondContact O-N 3.23Å; E475-R478 IonicContact OE1-CZ 3.31Å; E475-R478 IonicContact OE1-NE 2.68Å; E475-R478 PolarHBondContact OE1-NE 3.47Å; E475-R478 IonicContact OE1-NH2 2.91Å; E475-R478 PolarHBondContact OE1-NH2 2.98Å; E475-R478 IonicContact OE2-CZ 2.66Å; E475-R478 IonicContact OE2-NE 2.78Å; E475-R478 PolarHBondContact OE2-NE 3.43Å; E475-R478 IonicContact OE2-NH2 3.96Å; R478-L482 WeakPolarHBondContact O-CG 3.33Å; R478-L482 PolarHBondContact O-N 2.61Å; R478-L482 VanDerWaalsContact O-N 3.16Å |
| 479 | H | 69.8 | Low | 61.8 | Low | 106 Ų | 106 | 84.2 Ų | 84.2 | 49% | 0.491 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -64.3 | -44 | 177.8 | -170.5 | -80 | 0 | 0 | 0 | 111.9 | E475 L476 V477 L481 L482 Q483 | E475-H479 WeakPolarHBondContact O-CB 3.5Å; E475-H479 PolarHBondContact O-N 2.72Å; L476-H479 PolarHBondContact O-N 2.88Å; V477-H479 VanDerWaalsContact C-N 3.33Å; V477-H479 PolarHBondContact O-N 3.48Å; H479-L481 PolarHBondContact O-N 2.95Å; H479-L482 PolarHBondContact O-N 2.8Å; H479-Q483 WeakPolarHBondContact O-CB 3.44Å; H479-Q483 PolarHBondContact O-N 3.11Å |
| 480 | Y | 68.1 | Low | 61.4 | Low | 129 Ų | 129 | 85.9 Ų | 85.9 | 51% | 0.506 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -62.9 | -42.2 | 179 | -173.2 | -98.6 | 0 | 0 | 0 | 112.6 | L476 V477 L482 Q483 M484 | L476-Y480 WeakPolarHBondContact O-CB 3.33Å; L476-Y480 PolarHBondContact O-N 3.41Å; V477-Y480 PolarHBondContact O-N 2.66Å; Y480-L482 VanDerWaalsContact C-N 3.34Å; Y480-L482 PolarHBondContact O-N 3.45Å; Y480-Q483 PolarHBondContact O-N 2.66Å; Y480-M484 HydrophobicContact CD1-CG 4.3Å; Y480-M484 HydrophobicContact CD1-SD 4.45Å; Y480-M484 HydrophobicContact CE1-CE 3.77Å; Y480-M484 HydrophobicContact CE1-CG 3.91Å; Y480-M484 HydrophobicContact CE1-SD 3.69Å; Y480-M484 PolarHBondContact O-N 3.16Å; Y480-M484 WeakPolarHBondContact OH-CE 3.37Å |
| 481 | L | 65.9 | Low | 61 | Low | 64 Ų | 64 | 91.9 Ų | 91.9 | 34% | 0.335 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -64.3 | -38.7 | 176.6 | -72.8 | 171.1 | 0 | 0 | 0 | 111.8 | V477 H479 V485 | V477-L481 HydrophobicContact CG1-CD1 3.97Å; V477-L481 HydrophobicContact CG1-CG 4.38Å; V477-L481 WeakPolarHBondContact O-CB 3.16Å; V477-L481 WeakPolarHBondContact O-CG 3.39Å; V477-L481 PolarHBondContact O-N 3.46Å; H479-L481 PolarHBondContact O-N 2.95Å; L481-V485 WeakPolarHBondContact O-CG2 3.31Å; L481-V485 PolarHBondContact O-N 3.25Å |
| 482 | L | 67.3 | Low | 60.3 | Low | 33 Ų | 33 | 91.9 Ų | 91.9 | 17% | 0.173 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -66.5 | -42.8 | 174.1 | -70.9 | 170.4 | 0 | 0 | 0 | 111.8 | R478 H479 Y480 M484 V485 E486 T497 L500 | R478-L482 WeakPolarHBondContact O-CG 3.33Å; R478-L482 PolarHBondContact O-N 2.61Å; R478-L482 VanDerWaalsContact O-N 3.16Å; H479-L482 PolarHBondContact O-N 2.8Å; Y480-L482 VanDerWaalsContact C-N 3.34Å; Y480-L482 PolarHBondContact O-N 3.45Å; L482-M484 PolarHBondContact O-N 2.99Å; L482-V485 WeakPolarHBondContact O-CB 3.49Å; L482-V485 PolarHBondContact O-N 3.44Å; L482-E486 PolarHBondContact O-N 3.28Å; L482-T497 HydrophobicContact CD2-CG2 3.92Å; L482-L500 HydrophobicContact CD2-CD1 3.95Å; L482-L500 HydrophobicContact CG-CD1 4.39Å |
| 483 | Q | 65.1 | Low | 59.6 | Low | 103 Ų | 103 | 90 Ų | 90 | 48% | 0.481 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -67.7 | -33.7 | 179.7 | -164.6 | 176.4 | 15 | 0 | 0 | 112.6 | H479 Y480 V485 E486 S487 | H479-Q483 WeakPolarHBondContact O-CB 3.44Å; H479-Q483 PolarHBondContact O-N 3.11Å; Y480-Q483 PolarHBondContact O-N 2.66Å; Q483-V485 VanDerWaalsContact C-N 3.3Å; Q483-V485 PolarHBondContact O-N 2.82Å; Q483-E486 PolarHBondContact O-N 3.14Å; Q483-S487 PolarHBondContact O-N 3.2Å |
| 484 | M | 60.3 | Low | 59.2 | Low | 90 Ų | 90 | 95.1 Ų | 95.1 | 44% | 0.443 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.4 | -34.4 | 173.2 | -85.1 | -151.9 | 149.5 | 0 | 0 | 112.7 | Y480 L482 S487 K488 | Y480-M484 HydrophobicContact CD1-CG 4.3Å; Y480-M484 HydrophobicContact CD1-SD 4.45Å; Y480-M484 HydrophobicContact CE1-CE 3.77Å; Y480-M484 HydrophobicContact CE1-CG 3.91Å; Y480-M484 HydrophobicContact CE1-SD 3.69Å; Y480-M484 PolarHBondContact O-N 3.16Å; Y480-M484 WeakPolarHBondContact OH-CE 3.37Å; L482-M484 PolarHBondContact O-N 2.99Å; M484-S487 WeakPolarHBondContact CA-OG 3.35Å; M484-S487 PolarHBondContact O-N 3.12Å; M484-S487 PolarHBondContact O-OG 2.82Å; M484-K488 PolarHBondContact O-N 3.4Å |
| 485 | V | 59.2 | Low | 59 | Low | 34 Ų | 34 | 101.4 Ų | 101.4 | 21% | 0.206 | 51% | 0.512 | C | S | . | . | H | α-helix | trans | -66.8 | -41.4 | 174.9 | 174.8 | 0 | 0 | 0 | 0 | 110.3 | L481 L482 Q483 S487 K488 L496 | L481-V485 WeakPolarHBondContact O-CG2 3.31Å; L481-V485 PolarHBondContact O-N 3.25Å; L482-V485 WeakPolarHBondContact O-CB 3.49Å; L482-V485 PolarHBondContact O-N 3.44Å; Q483-V485 VanDerWaalsContact C-N 3.3Å; Q483-V485 PolarHBondContact O-N 2.82Å; V485-S487 PolarHBondContact O-N 3.2Å; V485-K488 PolarHBondContact O-N 2.89Å; V485-L496 HydrophobicContact CG1-CD2 4.1Å; V485-L496 HydrophobicContact CG2-CD2 3.65Å |
| 486 | E | 57.6 | Low | 58.3 | Low | 117 Ų | 117 | 100.8 Ų | 100.8 | 55% | 0.547 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.3 | -39.5 | 175.9 | -66.8 | 178.7 | 166.4 | 0 | 0 | 112.5 | L482 Q483 K488 G489 | L482-E486 PolarHBondContact O-N 3.28Å; Q483-E486 PolarHBondContact O-N 3.14Å; E486-K488 PolarHBondContact O-N 3.05Å; E486-G489 PolarHBondContact O-N 3.04Å; E486-G489 VanDerWaalsContact O-N 3.17Å |
| 487 | S | 56.8 | Low | 57.5 | Low | 93 Ų | 93 | 98.8 Ų | 98.8 | 65% | 0.65 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -67.6 | -18.3 | -179.6 | 72.2 | 0 | 0 | 0 | 0 | 114.5 | Q483 M484 V485 G489 | Q483-S487 PolarHBondContact O-N 3.2Å; M484-S487 WeakPolarHBondContact CA-OG 3.35Å; M484-S487 PolarHBondContact O-N 3.12Å; M484-S487 PolarHBondContact O-OG 2.82Å; V485-S487 PolarHBondContact O-N 3.2Å; S487-G489 VanDerWaalsContact C-N 3.29Å; S487-G489 PolarHBondContact O-N 3.48Å |
| 488 | K | 56.1 | Low | 56.8 | Low | 169 Ų | 169 | 99.9 Ų | 99.9 | 74% | 0.735 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | 11.9 | 174.9 | -73.8 | -173.9 | 177.9 | 178.6 | 0 | 113.8 | M484 V485 E486 Q490 | M484-K488 PolarHBondContact O-N 3.4Å; V485-K488 PolarHBondContact O-N 2.89Å; E486-K488 PolarHBondContact O-N 3.05Å; K488-Q490 PolarHBondContact O-N 3.18Å; K488-Q490 VanDerWaalsContact O-N 3.17Å |
| 489 | G | 45.7 | Very low | 56.5 | Low | 74 Ų | 74 | 96.5 Ų | 96.5 | 76% | 0.763 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.7 | 12.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | E486 S487 | E486-G489 PolarHBondContact O-N 3.04Å; E486-G489 VanDerWaalsContact O-N 3.17Å; S487-G489 VanDerWaalsContact C-N 3.29Å; S487-G489 PolarHBondContact O-N 3.48Å |
| 490 | Q | 50.9 | Low | 56.2 | Low | 138 Ų | 138 | 94 Ų | 94 | 65% | 0.645 | 50% | 0.498 | S | S | * | . | trans | -98.7 | 123 | 171.9 | -73.3 | -180 | -23.8 | 0 | 0 | 108.1 | K488 | K488-Q490 PolarHBondContact O-N 3.18Å; K488-Q490 VanDerWaalsContact O-N 3.17Å | ||
| 491 | K | 47.2 | Very low | 55.9 | Low | 193 Ų | 193 | 90.4 Ų | 90.4 | 84% | 0.839 | 49% | 0.493 | S | S | * | . | trans | -56.1 | 135.1 | 170 | -77.6 | -178.4 | 176.1 | -179.7 | 0 | 108.2 | S493 | K491-S493 PolarHBondContact O-N 3Š| ||
| 492 | P | 47.5 | Very low | 56.1 | Low | 62 Ų | 62 | 88.9 Ų | 88.9 | 40% | 0.403 | 48% | 0.484 | S | S | . | . | trans | -59.6 | 109.2 | 173.8 | 24.4 | -31.2 | 0 | 0 | 0 | 107.6 | ||||
| 493 | S | 49.1 | Very low | 56.3 | Low | 49 Ų | 49 | 89.7 Ų | 89.7 | 34% | 0.343 | 49% | 0.487 | S | S | . | . | trans | -65.6 | 142.1 | 170 | 47.3 | 0 | 0 | 0 | 0 | 108.1 | K491 E495 L496 T497 | K491-S493 PolarHBondContact O-N 3Å; S493-E495 PolarHBondContact O-N 3.02Å; S493-L496 PolarHBondContact O-N 3.33Å; S493-T497 PolarHBondContact O-OG1 3.35Å | ||
| 494 | E | 52.8 | Low | 56.6 | Low | 172 Ų | 172 | 85.2 Ų | 85.2 | 80% | 0.804 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -52.4 | -24.3 | 174.3 | -67.4 | 178.1 | 167.5 | 0 | 0 | 112 | T497 C498 | E494-T497 WeakPolarHBondContact CA-OG1 3.27Å; E494-T497 PolarHBondContact O-OG1 2.87Å; E494-C498 WeakPolarHBondContact O-CB 3.01Å; E494-C498 PolarHBondContact O-N 3.29Å |
| 495 | E | 51.6 | Low | 57 | Low | 160 Ų | 160 | 84 Ų | 84 | 75% | 0.748 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -65.7 | -37 | 174 | -62.3 | 177.8 | 171.3 | 0 | 0 | 113.7 | S493 G499 | S493-E495 PolarHBondContact O-N 3.02Å; E495-G499 PolarHBondContact O-N 3.48Å |
| 496 | L | 50.9 | Low | 57.6 | Low | 79 Ų | 79 | 83.6 Ų | 83.6 | 41% | 0.414 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -77.5 | -39.5 | -179.1 | -114.4 | 101.2 | 0 | 0 | 0 | 112.1 | V485 S493 C498 G499 L500 | V485-L496 HydrophobicContact CG1-CD2 4.1Å; V485-L496 HydrophobicContact CG2-CD2 3.65Å; S493-L496 PolarHBondContact O-N 3.33Å; L496-C498 VanDerWaalsContact C-N 3.35Å; L496-G499 PolarHBondContact O-N 3.5Å; L496-L500 PolarHBondContact O-N 3.35Å |
| 497 | T | 52.8 | Low | 58.3 | Low | 66 Ų | 66 | 78.9 Ų | 78.9 | 41% | 0.405 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -67.6 | -36.3 | 174.6 | 34.1 | 0 | 0 | 0 | 0 | 111.6 | L482 S493 E494 S501 | L482-T497 HydrophobicContact CD2-CG2 3.92Å; S493-T497 PolarHBondContact O-OG1 3.35Å; E494-T497 WeakPolarHBondContact CA-OG1 3.27Å; E494-T497 PolarHBondContact O-OG1 2.87Å; T497-S501 PolarHBondContact O-N 3.41Å |
| 498 | C | 53 | Low | 59.3 | Low | 64 Ų | 64 | 76.3 Ų | 76.3 | 43% | 0.432 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -73.1 | -32.5 | 172.1 | -161.9 | 0 | 0 | 0 | 0 | 112.4 | E494 L496 L500 S501 | E494-C498 WeakPolarHBondContact O-CB 3.01Å; E494-C498 PolarHBondContact O-N 3.29Å; L496-C498 VanDerWaalsContact C-N 3.35Å; C498-L500 PolarHBondContact O-N 3.24Å; C498-S501 PolarHBondContact O-N 3.06Å; C498-S501 PolarHBondContact O-OG 2.91Å |
| 499 | G | 59.8 | Low | 59.9 | Low | 31 Ų | 31 | 71.8 Ų | 71.8 | 32% | 0.32 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -64 | -39.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | E495 L496 F503 | E495-G499 PolarHBondContact O-N 3.48Å; L496-G499 PolarHBondContact O-N 3.5Å; G499-F503 WeakPolarHBondContact O-CD2 3.28Å; G499-F503 WeakPolarHBondContact O-CE2 3.04Å |
| 500 | L | 62.3 | Low | 61.2 | Low | 53 Ų | 53 | 73.8 Ų | 73.8 | 28% | 0.277 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -74.8 | -24.7 | 177.2 | -73.7 | 162.8 | 0 | 0 | 0 | 112.9 | L482 L496 C498 L502 F503 | L482-L500 HydrophobicContact CD2-CD1 3.95Å; L482-L500 HydrophobicContact CG-CD1 4.39Å; L496-L500 PolarHBondContact O-N 3.35Å; C498-L500 PolarHBondContact O-N 3.24Å; L500-L502 VanDerWaalsContact C-N 3.26Å; L500-L502 PolarHBondContact O-N 3.44Å; L500-F503 PolarHBondContact O-N 3.2Å |
| 501 | S | 62.9 | Low | 62.3 | Low | 55 Ų | 55 | 67.4 Ų | 67.4 | 39% | 0.385 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -8.3 | 179.3 | 69.8 | 0 | 0 | 0 | 0 | 114.4 | T497 C498 F503 C557 | T497-S501 PolarHBondContact O-N 3.41Å; C498-S501 PolarHBondContact O-N 3.06Å; C498-S501 PolarHBondContact O-OG 2.91Å; S501-F503 VanDerWaalsContact C-N 3.34Å; S501-C557 PolarHBondContact O-SG 3.27Å |
| 502 | L | 69.7 | Low | 63.6 | Low | 31 Ų | 31 | 60.8 Ų | 60.8 | 16% | 0.162 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -19.6 | 173.8 | -103.1 | 153.3 | 0 | 0 | 0 | 113.8 | L500 A535 I553 R560 | L500-L502 VanDerWaalsContact C-N 3.26Å; L500-L502 PolarHBondContact O-N 3.44Å; L502-A535 HydrophobicContact CD2-CB 4.11Å; L502-I553 HydrophobicContact CD2-CG2 3.75Å; L502-I553 HydrophobicContact CG-CG2 3.99Å; L502-R560 PolarHBondContact O-NH1 3.21Å |
| 503 | F | 70.2 | Confident | 65 | Low | 51 Ų | 51 | 65.1 Ų | 65.1 | 22% | 0.224 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -90.8 | 136.3 | -179.5 | -63.6 | -95.5 | 0 | 0 | 0 | 110.1 | G499 L500 S501 L508 I527 I531 | G499-F503 WeakPolarHBondContact O-CD2 3.28Å; G499-F503 WeakPolarHBondContact O-CE2 3.04Å; L500-F503 PolarHBondContact O-N 3.2Å; S501-F503 VanDerWaalsContact C-N 3.34Å; F503-L508 HydrophobicContact CB-CB 4.5Å; F503-I527 HydrophobicContact CE1-CG2 4.2Å; F503-I531 HydrophobicContact CD1-CD1 3.31Å; F503-I531 HydrophobicContact CE1-CD1 3.51Å; F503-I531 HydrophobicContact CG-CD1 4.31Å |
| 504 | T | 72.4 | Confident | 66 | Low | 8 Ų | 8 | 68 Ų | 68 | 5% | 0.049 | 34% | 0.342 | C | S | . | . | trans | -73.8 | 156.4 | 162.1 | 63.9 | 0 | 0 | 0 | 0 | 109.1 | S506 E507 L508 R560 | T504-S506 VanDerWaalsContact C-N 3.3Å; T504-S506 PolarHBondContact O-N 3.06Å; T504-E507 PolarHBondContact N-OE2 3.2Å; T504-E507 PolarHBondContact O-N 3.33Å; T504-E507 WeakPolarHBondContact OG1-CB 3.32Å; T504-E507 VanDerWaalsContact OG1-CD 3.28Å; T504-E507 WeakPolarHBondContact OG1-CG 3.39Å; T504-E507 PolarHBondContact OG1-N 3Å; T504-E507 PolarHBondContact OG1-OE2 2.71Å; T504-L508 PolarHBondContact O-N 3.25Å; T504-R560 HydrophobicContact CG2-CB 3.7Å | ||
| 505 | T | 67.9 | Low | 67.2 | Low | 65 Ų | 65 | 65.4 Ų | 65.4 | 40% | 0.399 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -53.9 | -46.6 | 178.1 | 43 | 0 | 0 | 0 | 0 | 112.5 | E474 E507 L508 E509 | E474-T505 HydrophobicContact CB-CG2 4.26Å; E474-T505 WeakPolarHBondContact OE2-CB 3.1Å; E474-T505 VanDerWaalsContact OE2-CG2 3.27Å; E474-T505 WeakPolarHBondContact OE2-CG2 2.94Å; T505-E507 VanDerWaalsContact C-N 3.27Å; T505-E507 PolarHBondContact O-N 2.96Å; T505-L508 PolarHBondContact O-N 3.27Å; T505-E509 PolarHBondContact O-N 3.45Å |
| 506 | S | 72.1 | Confident | 68.3 | Low | 25 Ų | 25 | 62.8 Ų | 62.8 | 18% | 0.175 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.7 | -28.8 | 177.1 | -39.2 | 0 | 0 | 0 | 0 | 113.5 | T504 R510 | T504-S506 VanDerWaalsContact C-N 3.3Å; T504-S506 PolarHBondContact O-N 3.06Å; S506-R510 WeakPolarHBondContact O-CB 3.13Å; S506-R510 PolarHBondContact O-N 2.8Å |
| 507 | E | 73.6 | Confident | 69.4 | Low | 19 Ų | 19 | 64.4 Ų | 64.4 | 9% | 0.089 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -79 | -35.8 | 178.4 | -75.2 | 173.5 | 166.2 | 0 | 0 | 112.7 | T504 T505 R510 G511 I531 R560 | T504-E507 PolarHBondContact N-OE2 3.2Å; T504-E507 PolarHBondContact O-N 3.33Å; T504-E507 WeakPolarHBondContact OG1-CB 3.32Å; T504-E507 VanDerWaalsContact OG1-CD 3.28Å; T504-E507 WeakPolarHBondContact OG1-CG 3.39Å; T504-E507 PolarHBondContact OG1-N 3Å; T504-E507 PolarHBondContact OG1-OE2 2.71Å; T505-E507 VanDerWaalsContact C-N 3.27Å; T505-E507 PolarHBondContact O-N 2.96Å; E507-R510 PolarHBondContact O-N 3.1Å; E507-G511 PolarHBondContact O-N 3.35Å; E507-I531 HydrophobicContact CB-CD1 4.04Å; E507-I531 HydrophobicContact CG-CD1 4.36Å; E507-I531 WeakPolarHBondContact OE2-CD1 3.46Å; E507-R560 IonicContact OE1-CZ 3.72Å; E507-R560 IonicContact OE1-NE 2.86Å; E507-R560 IonicContact OE1-NH2 2.66Å; E507-R560 PolarHBondContact OE1-NH2 3.03Å; E507-R560 IonicContact OE2-CZ 3.38Å; E507-R560 VanDerWaalsContact OE2-CZ 3.32Å; E507-R560 IonicContact OE2-NH1 3.31Å; E507-R560 IonicContact OE2-NH2 3.71Å; E507-R560 PolarHBondContact OE2-NH2 2.87Å |
| 508 | L | 76.6 | Confident | 70 | Confident | 39 Ų | 39 | 68.6 Ų | 68.6 | 20% | 0.204 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -65.2 | -43.5 | 171.9 | -172.6 | 63.2 | 0 | 0 | 0 | 110.2 | F503 T504 T505 G511 L512 | F503-L508 HydrophobicContact CB-CB 4.5Å; T504-L508 PolarHBondContact O-N 3.25Å; T505-L508 PolarHBondContact O-N 3.27Å; L508-G511 PolarHBondContact O-N 3.44Å; L508-L512 HydrophobicContact CD1-CD1 4.32Å; L508-L512 HydrophobicContact CG-CD1 3.87Å; L508-L512 WeakPolarHBondContact O-CD1 3.37Å; L508-L512 PolarHBondContact O-N 3.16Å |
| 509 | E | 68.1 | Low | 70.5 | Confident | 73 Ų | 73 | 68.6 Ų | 68.6 | 34% | 0.341 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -56.5 | -51.3 | 173.2 | -169.7 | -148.1 | 148.7 | 0 | 0 | 111 | T505 G511 L512 R513 | T505-E509 PolarHBondContact O-N 3.45Å; E509-G511 PolarHBondContact O-N 3.33Å; E509-L512 PolarHBondContact O-N 3Å; E509-R513 VanDerWaalsContact O-CB 3.26Å; E509-R513 WeakPolarHBondContact O-CB 3.2Å; E509-R513 PolarHBondContact O-N 2.59Å; E509-R513 IonicContact OE1-NH1 3.24Å; E509-R513 PolarHBondContact OE1-NH1 2.61Å |
| 510 | R | 74.3 | Confident | 71 | Confident | 116 Ų | 116 | 70.1 Ų | 70.1 | 44% | 0.438 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -59 | -33.8 | 179 | -168.1 | 176.3 | -69.2 | 129.7 | -9.7 | 112.2 | S506 E507 R514 | S506-R510 WeakPolarHBondContact O-CB 3.13Å; S506-R510 PolarHBondContact O-N 2.8Å; E507-R510 PolarHBondContact O-N 3.1Å; R510-R514 WeakPolarHBondContact O-CG 3.17Å; R510-R514 PolarHBondContact O-N 3.43Å |
| 511 | G | 74 | Confident | 71.5 | Confident | 4 Ų | 4 | 71.5 Ų | 71.5 | 4% | 0.041 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -73.6 | -44.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | E507 L508 E509 R514 Y515 | E507-G511 PolarHBondContact O-N 3.35Å; L508-G511 PolarHBondContact O-N 3.44Å; E509-G511 PolarHBondContact O-N 3.33Å; G511-R514 PolarHBondContact O-N 3.04Å; G511-Y515 WeakPolarHBondContact O-CB 3.48Å; G511-Y515 PolarHBondContact O-N 3.04Å |
| 512 | L | 75 | Confident | 72 | Confident | 54 Ų | 54 | 72.3 Ų | 72.3 | 28% | 0.283 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63.3 | -43.5 | 175.6 | -81 | 152.5 | 0 | 0 | 0 | 111.5 | V477 L508 E509 R514 Y515 V516 | V477-L512 HydrophobicContact CG1-CD1 3.6Å; V477-L512 HydrophobicContact CG1-CD2 4.45Å; L508-L512 HydrophobicContact CD1-CD1 4.32Å; L508-L512 HydrophobicContact CG-CD1 3.87Å; L508-L512 WeakPolarHBondContact O-CD1 3.37Å; L508-L512 PolarHBondContact O-N 3.16Å; E509-L512 PolarHBondContact O-N 3Å; L512-R514 PolarHBondContact O-N 3.29Å; L512-Y515 PolarHBondContact O-N 3.28Å; L512-Y515 VanDerWaalsContact O-N 3.12Å; L512-V516 WeakPolarHBondContact O-CB 3.36Å; L512-V516 WeakPolarHBondContact O-CG2 3.49Å; L512-V516 PolarHBondContact O-N 2.96Å |
| 513 | R | 75.2 | Confident | 72.2 | Confident | 154 Ų | 154 | 71.2 Ų | 71.2 | 58% | 0.581 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -61.2 | -43.3 | 177.8 | -160.1 | 171 | -161.5 | 170.3 | 0.9 | 111.7 | E509 Y515 D517 | E509-R513 VanDerWaalsContact O-CB 3.26Å; E509-R513 WeakPolarHBondContact O-CB 3.2Å; E509-R513 PolarHBondContact O-N 2.59Å; E509-R513 IonicContact OE1-NH1 3.24Å; E509-R513 PolarHBondContact OE1-NH1 2.61Å; R513-Y515 VanDerWaalsContact C-N 3.33Å; R513-Y515 PolarHBondContact O-N 3.47Å; R513-D517 WeakPolarHBondContact CG-OD2 3.44Å; R513-D517 IonicContact NE-OD2 3.4Å; R513-D517 WeakPolarHBondContact O-CB 3.35Å; R513-D517 PolarHBondContact O-N 3.46Å |
| 514 | R | 71.5 | Confident | 72.3 | Confident | 108 Ų | 108 | 72.5 Ų | 72.5 | 41% | 0.408 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -67.5 | -31.7 | 174.6 | -74.4 | -177.9 | 179.2 | -171 | -0.5 | 113.2 | R510 G511 L512 R518 A523 | R510-R514 WeakPolarHBondContact O-CG 3.17Å; R510-R514 PolarHBondContact O-N 3.43Å; G511-R514 PolarHBondContact O-N 3.04Å; L512-R514 PolarHBondContact O-N 3.29Å; R514-R518 WeakPolarHBondContact O-CB 3.39Å; R514-R518 PolarHBondContact O-N 3.48Å; R514-A523 HydrophobicContact CB-CB 3.78Å |
| 515 | Y | 76.6 | Confident | 72.5 | Confident | 118 Ų | 118 | 76.8 Ų | 76.8 | 46% | 0.463 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -73.1 | -46.8 | 176.8 | -177.4 | -98.5 | 0 | 0 | 0 | 112 | G511 L512 R513 G519 I524 | G511-Y515 WeakPolarHBondContact O-CB 3.48Å; G511-Y515 PolarHBondContact O-N 3.04Å; L512-Y515 PolarHBondContact O-N 3.28Å; L512-Y515 VanDerWaalsContact O-N 3.12Å; R513-Y515 VanDerWaalsContact C-N 3.33Å; R513-Y515 PolarHBondContact O-N 3.47Å; Y515-G519 PolarHBondContact O-N 3.32Å; Y515-I524 HydrophobicContact CD2-CD1 4.04Å; Y515-I524 HydrophobicContact CD2-CG1 4.43Å; Y515-I524 HydrophobicContact CG-CD1 4.14Å |
| 516 | V | 76.4 | Confident | 72.9 | Confident | 105 Ų | 105 | 79.2 Ų | 79.2 | 64% | 0.636 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -75.9 | -48.8 | -177.1 | 177.1 | 0 | 0 | 0 | 0 | 111.6 | L512 | L512-V516 WeakPolarHBondContact O-CB 3.36Å; L512-V516 WeakPolarHBondContact O-CG2 3.49Å; L512-V516 PolarHBondContact O-N 2.96Å |
| 517 | D | 72.5 | Confident | 73.2 | Confident | 113 Ų | 113 | 78.9 Ų | 78.9 | 60% | 0.604 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -81.2 | -34 | -171.6 | -62.8 | -16.6 | 0 | 0 | 0 | 112.6 | R513 | R513-D517 WeakPolarHBondContact CG-OD2 3.44Å; R513-D517 IonicContact NE-OD2 3.4Å; R513-D517 WeakPolarHBondContact O-CB 3.35Å; R513-D517 PolarHBondContact O-N 3.46Å |
| 518 | R | 67 | Low | 73.3 | Confident | 155 Ų | 155 | 79.3 Ų | 79.3 | 59% | 0.585 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -104.2 | -3.9 | -174.4 | -57.6 | -171.7 | 177.6 | -161.4 | -3.4 | 114 | R514 I520 E576 | R514-R518 WeakPolarHBondContact O-CB 3.39Å; R514-R518 PolarHBondContact O-N 3.48Å; R518-I520 HydrophobicContact CB-CD1 3.71Å; R518-I520 HydrophobicContact CB-CG1 3.78Å; R518-I520 WeakPolarHBondContact O-CG1 3.43Å; R518-I520 PolarHBondContact O-N 3.46Å; R518-I520 VanDerWaalsContact O-N 3.12Å; R518-E576 IonicContact NH2-OE1 3.67Å |
| 519 | G | 61.7 | Low | 73.5 | Confident | 64 Ų | 64 | 80.3 Ų | 80.3 | 66% | 0.66 | 41% | 0.407 | S | S | * | . | trans | 60.8 | 20.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y515 S521 | Y515-G519 PolarHBondContact O-N 3.32Å; G519-S521 PolarHBondContact O-N 3.49Å | ||
| 520 | I | 71.7 | Confident | 74 | Confident | 63 Ų | 63 | 79.2 Ų | 79.2 | 32% | 0.323 | 41% | 0.407 | S | S | . | . | trans | -85.2 | 101.3 | -176.8 | -56 | 171.6 | 0 | 0 | 0 | 108 | R518 D522 A523 | R518-I520 HydrophobicContact CB-CD1 3.71Å; R518-I520 HydrophobicContact CB-CG1 3.78Å; R518-I520 WeakPolarHBondContact O-CG1 3.43Å; R518-I520 PolarHBondContact O-N 3.46Å; R518-I520 VanDerWaalsContact O-N 3.12Å; I520-D522 PolarHBondContact O-N 2.91Å; I520-D522 VanDerWaalsContact O-N 3.11Å; I520-A523 HydrophobicContact CB-CB 4.08Å; I520-A523 HydrophobicContact CG2-CB 4.1Å; I520-A523 WeakPolarHBondContact O-CB 3.29Å; I520-A523 PolarHBondContact O-N 3.31Å; I520-A523 VanDerWaalsContact O-N 3.14Å | ||
| 521 | S | 71.9 | Confident | 74.3 | Confident | 82 Ų | 82 | 74 Ų | 74 | 57% | 0.573 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -29.5 | 177.8 | 57.7 | 0 | 0 | 0 | 0 | 113.2 | G519 | G519-S521 PolarHBondContact O-N 3.49Š|
| 522 | D | 73.5 | Confident | 74.6 | Confident | 72 Ų | 72 | 78 Ų | 78 | 39% | 0.385 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | 1.3 | -174.5 | -62.5 | -12.6 | 0 | 0 | 0 | 113.9 | I520 I524 N525 H526 Y579 | I520-D522 PolarHBondContact O-N 2.91Å; I520-D522 VanDerWaalsContact O-N 3.11Å; D522-I524 VanDerWaalsContact C-N 3.29Å; D522-I524 PolarHBondContact O-N 3.05Å; D522-N525 PolarHBondContact O-N 2.87Å; D522-N525 VanDerWaalsContact O-N 3.16Å; D522-H526 PolarHBondContact O-N 2.75Å; D522-Y579 PolarHBondContact OD2-OH 2.88Å |
| 523 | A | 73.3 | Confident | 75 | Confident | 7 Ų | 7 | 79.6 Ų | 79.6 | 6% | 0.058 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -60.1 | -40.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | R514 I520 H526 I527 | R514-A523 HydrophobicContact CB-CB 3.78Å; I520-A523 HydrophobicContact CB-CB 4.08Å; I520-A523 HydrophobicContact CG2-CB 4.1Å; I520-A523 WeakPolarHBondContact O-CB 3.29Å; I520-A523 PolarHBondContact O-N 3.31Å; I520-A523 VanDerWaalsContact O-N 3.14Å; A523-H526 PolarHBondContact O-N 3.18Å; A523-I527 WeakPolarHBondContact O-CG1 3.42Å; A523-I527 PolarHBondContact O-N 3.37Å; A523-I527 VanDerWaalsContact O-N 3.1Å |
| 524 | I | 73.3 | Confident | 75.3 | Confident | 78 Ų | 78 | 77 Ų | 77 | 40% | 0.4 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -66.4 | -41.4 | 178.6 | -61.5 | 174.1 | 0 | 0 | 0 | 110.3 | Y515 D522 H526 I527 S528 | Y515-I524 HydrophobicContact CD2-CD1 4.04Å; Y515-I524 HydrophobicContact CD2-CG1 4.43Å; Y515-I524 HydrophobicContact CG-CD1 4.14Å; D522-I524 VanDerWaalsContact C-N 3.29Å; D522-I524 PolarHBondContact O-N 3.05Å; I524-H526 PolarHBondContact O-N 3.4Å; I524-I527 PolarHBondContact O-N 3.41Å; I524-S528 WeakPolarHBondContact O-CB 3.44Å; I524-S528 PolarHBondContact O-N 2.95Å; I524-S528 PolarHBondContact O-OG 2.98Å |
| 525 | N | 76.5 | Confident | 75.7 | Confident | 98 Ų | 98 | 72.1 Ų | 72.1 | 52% | 0.524 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -65.6 | -37 | 178.4 | -71.3 | -29.6 | 0 | 0 | 0 | 112.6 | D522 S528 S529 | D522-N525 PolarHBondContact O-N 2.87Å; D522-N525 VanDerWaalsContact O-N 3.16Å; N525-S528 WeakPolarHBondContact CA-OG 3.32Å; N525-S528 PolarHBondContact O-OG 3.42Å; N525-S529 VanDerWaalsContact O-CB 3.29Å; N525-S529 WeakPolarHBondContact O-CB 3.26Å; N525-S529 PolarHBondContact O-N 3.44Å; N525-S529 PolarHBondContact O-OG 2.66Å |
| 526 | H | 76 | Confident | 76 | Confident | 116 Ų | 116 | 70 Ų | 70 | 54% | 0.537 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -68.7 | -42.1 | 176.7 | -172.9 | -80.5 | 0 | 0 | 0 | 111.6 | D522 A523 I524 S529 S530 | D522-H526 PolarHBondContact O-N 2.75Å; A523-H526 PolarHBondContact O-N 3.18Å; I524-H526 PolarHBondContact O-N 3.4Å; H526-S529 PolarHBondContact O-N 3.06Å; H526-S530 WeakPolarHBondContact O-CB 3.39Å; H526-S530 PolarHBondContact O-N 2.89Å |
| 527 | I | 77.9 | Confident | 76.3 | Confident | 19 Ų | 19 | 73.1 Ų | 73.1 | 10% | 0.097 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -68.9 | -44.1 | 179.1 | -70.3 | 165.8 | 0 | 0 | 0 | 110.6 | F503 A523 I524 S529 S530 I531 | F503-I527 HydrophobicContact CE1-CG2 4.2Å; A523-I527 WeakPolarHBondContact O-CG1 3.42Å; A523-I527 PolarHBondContact O-N 3.37Å; A523-I527 VanDerWaalsContact O-N 3.1Å; I524-I527 PolarHBondContact O-N 3.41Å; I527-S529 VanDerWaalsContact C-N 3.33Å; I527-S529 PolarHBondContact O-N 2.97Å; I527-S530 PolarHBondContact O-N 3.38Å; I527-I531 HydrophobicContact CG2-CD1 3.6Å; I527-I531 HydrophobicContact CG2-CG1 4.37Å; I527-I531 VanDerWaalsContact O-CG1 3.26Å; I527-I531 WeakPolarHBondContact O-CG1 3.4Å; I527-I531 PolarHBondContact O-N 3.04Å |
| 528 | S | 77.3 | Confident | 76.7 | Confident | 27 Ų | 27 | 69.4 Ų | 69.4 | 19% | 0.189 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -58.7 | -45 | 175.1 | 69.8 | 0 | 0 | 0 | 0 | 111.4 | I524 N525 S530 I531 L532 | I524-S528 WeakPolarHBondContact O-CB 3.44Å; I524-S528 PolarHBondContact O-N 2.95Å; I524-S528 PolarHBondContact O-OG 2.98Å; N525-S528 WeakPolarHBondContact CA-OG 3.32Å; N525-S528 PolarHBondContact O-OG 3.42Å; S528-S530 PolarHBondContact O-N 3.37Å; S528-I531 PolarHBondContact O-N 2.77Å; S528-L532 VanDerWaalsContact O-CB 3.32Å; S528-L532 WeakPolarHBondContact O-CB 3.38Å; S528-L532 WeakPolarHBondContact O-CD1 3.31Å; S528-L532 VanDerWaalsContact O-CG 3.31Å; S528-L532 WeakPolarHBondContact O-CG 3.42Å; S528-L532 PolarHBondContact O-N 3.22Å |
| 529 | S | 79.7 | Confident | 77.4 | Confident | 60 Ų | 60 | 63.9 Ų | 63.9 | 42% | 0.42 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -63.2 | -40.2 | 177.3 | -61.7 | 0 | 0 | 0 | 0 | 112.7 | N525 H526 I527 N533 | N525-S529 VanDerWaalsContact O-CB 3.29Å; N525-S529 WeakPolarHBondContact O-CB 3.26Å; N525-S529 PolarHBondContact O-N 3.44Å; N525-S529 PolarHBondContact O-OG 2.66Å; H526-S529 PolarHBondContact O-N 3.06Å; I527-S529 VanDerWaalsContact C-N 3.33Å; I527-S529 PolarHBondContact O-N 2.97Å; S529-N533 WeakPolarHBondContact O-CB 3.48Å; S529-N533 VanDerWaalsContact O-CG 3.3Å; S529-N533 PolarHBondContact O-N 3.13Å; S529-N533 PolarHBondContact O-ND2 3.47Å |
| 530 | S | 79.9 | Confident | 78.3 | Confident | 50 Ų | 50 | 70.1 Ų | 70.1 | 35% | 0.35 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -64.3 | -44.4 | 176.7 | -175.5 | 0 | 0 | 0 | 0 | 111.6 | H526 I527 S528 N533 K534 | H526-S530 WeakPolarHBondContact O-CB 3.39Å; H526-S530 PolarHBondContact O-N 2.89Å; I527-S530 PolarHBondContact O-N 3.38Å; S528-S530 PolarHBondContact O-N 3.37Å; S530-N533 PolarHBondContact O-N 2.96Å; S530-K534 WeakPolarHBondContact O-CG 3.48Å; S530-K534 PolarHBondContact O-N 3.1Å |
| 531 | I | 80.1 | Confident | 78.6 | Confident | 7 Ų | 7 | 75 Ų | 75 | 4% | 0.036 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -68.9 | -42.5 | -179.6 | -65.3 | 170.3 | 0 | 0 | 0 | 111.1 | F503 E507 I527 S528 N533 K534 A535 | F503-I531 HydrophobicContact CD1-CD1 3.31Å; F503-I531 HydrophobicContact CE1-CD1 3.51Å; F503-I531 HydrophobicContact CG-CD1 4.31Å; E507-I531 HydrophobicContact CB-CD1 4.04Å; E507-I531 HydrophobicContact CG-CD1 4.36Å; E507-I531 WeakPolarHBondContact OE2-CD1 3.46Å; I527-I531 HydrophobicContact CG2-CD1 3.6Å; I527-I531 HydrophobicContact CG2-CG1 4.37Å; I527-I531 VanDerWaalsContact O-CG1 3.26Å; I527-I531 WeakPolarHBondContact O-CG1 3.4Å; I527-I531 PolarHBondContact O-N 3.04Å; S528-I531 PolarHBondContact O-N 2.77Å; I531-N533 VanDerWaalsContact C-N 3.32Å; I531-N533 PolarHBondContact O-N 3.41Å; I531-K534 WeakPolarHBondContact O-CB 3.45Å; I531-K534 PolarHBondContact O-N 2.94Å; I531-K534 VanDerWaalsContact O-N 3.16Å; I531-A535 PolarHBondContact O-N 2.87Å |
| 532 | L | 80.8 | Confident | 78.7 | Confident | 87 Ų | 87 | 77.3 Ų | 77.3 | 46% | 0.455 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -57.6 | -45.4 | 173.1 | -80.4 | 160.9 | 0 | 0 | 0 | 111.3 | S528 K534 A535 I536 | S528-L532 VanDerWaalsContact O-CB 3.32Å; S528-L532 WeakPolarHBondContact O-CB 3.38Å; S528-L532 WeakPolarHBondContact O-CD1 3.31Å; S528-L532 VanDerWaalsContact O-CG 3.31Å; S528-L532 WeakPolarHBondContact O-CG 3.42Å; S528-L532 PolarHBondContact O-N 3.22Å; L532-K534 VanDerWaalsContact C-N 3.33Å; L532-K534 PolarHBondContact O-N 3.28Å; L532-A535 PolarHBondContact O-N 3.48Å; L532-I536 WeakPolarHBondContact O-CB 3.38Å; L532-I536 VanDerWaalsContact O-CG1 3.23Å; L532-I536 WeakPolarHBondContact O-CG1 3.42Å; L532-I536 PolarHBondContact O-N 3.04Å |
| 533 | N | 81.8 | Confident | 78.9 | Confident | 89 Ų | 89 | 82.7 Ų | 82.7 | 48% | 0.476 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -63.3 | -37.9 | 176.7 | -78.9 | -42.9 | 0 | 0 | 0 | 112.6 | S529 S530 I531 R537 | S529-N533 WeakPolarHBondContact O-CB 3.48Å; S529-N533 VanDerWaalsContact O-CG 3.3Å; S529-N533 PolarHBondContact O-N 3.13Å; S529-N533 PolarHBondContact O-ND2 3.47Å; S530-N533 PolarHBondContact O-N 2.96Å; I531-N533 VanDerWaalsContact C-N 3.32Å; I531-N533 PolarHBondContact O-N 3.41Å; N533-R537 WeakPolarHBondContact O-CB 3.4Å; N533-R537 VanDerWaalsContact O-CG 3.27Å; N533-R537 WeakPolarHBondContact O-CG 3.47Å; N533-R537 PolarHBondContact O-N 2.97Å |
| 534 | K | 82.8 | Confident | 78.7 | Confident | 98 Ų | 98 | 83.4 Ų | 83.4 | 43% | 0.426 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -64.9 | -45.4 | 173.9 | -73 | 179.5 | -177.9 | -175.8 | 0 | 111.5 | S530 I531 L532 R537 H538 F556 | S530-K534 WeakPolarHBondContact O-CG 3.48Å; S530-K534 PolarHBondContact O-N 3.1Å; I531-K534 WeakPolarHBondContact O-CB 3.45Å; I531-K534 PolarHBondContact O-N 2.94Å; I531-K534 VanDerWaalsContact O-N 3.16Å; L532-K534 VanDerWaalsContact C-N 3.33Å; L532-K534 PolarHBondContact O-N 3.28Å; K534-R537 PolarHBondContact O-N 2.96Å; K534-H538 PolarHBondContact O-N 3.23Å; K534-F556 HydrophobicContact CB-CE1 4.25Å; K534-F556 HydrophobicContact CB-CZ 4.07Å |
| 535 | A | 80 | Confident | 78.9 | Confident | 7 Ų | 7 | 83.1 Ų | 83.1 | 6% | 0.058 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -63.6 | -44.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L502 I531 L532 R537 H538 L539 F556 | L502-A535 HydrophobicContact CD2-CB 4.11Å; I531-A535 PolarHBondContact O-N 2.87Å; L532-A535 PolarHBondContact O-N 3.48Å; A535-R537 PolarHBondContact O-N 3Å; A535-H538 PolarHBondContact O-N 3.01Å; A535-L539 WeakPolarHBondContact O-CG 3.27Å; A535-L539 PolarHBondContact O-N 3.32Å; A535-F556 HydrophobicContact CB-CD1 4.27Å; A535-F556 HydrophobicContact CB-CE1 4.14Å |
| 536 | I | 81.9 | Confident | 78.8 | Confident | 72 Ų | 72 | 86.9 Ų | 86.9 | 37% | 0.369 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -62.2 | -42 | 176.2 | -68.4 | 165.9 | 0 | 0 | 0 | 111 | L532 L539 R540 | L532-I536 WeakPolarHBondContact O-CB 3.38Å; L532-I536 VanDerWaalsContact O-CG1 3.23Å; L532-I536 WeakPolarHBondContact O-CG1 3.42Å; L532-I536 PolarHBondContact O-N 3.04Å; I536-L539 PolarHBondContact O-N 2.87Å; I536-R540 WeakPolarHBondContact O-CB 3.38Å; I536-R540 WeakPolarHBondContact O-CG 3.27Å; I536-R540 PolarHBondContact O-N 3.19Å |
| 537 | R | 82.9 | Confident | 78.7 | Confident | 172 Ų | 172 | 90.2 Ų | 90.2 | 65% | 0.649 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -62 | -42.3 | 175 | -77 | 176.7 | -169.2 | 166.2 | 3.8 | 111.8 | N533 K534 A535 R540 M541 | N533-R537 WeakPolarHBondContact O-CB 3.4Å; N533-R537 VanDerWaalsContact O-CG 3.27Å; N533-R537 WeakPolarHBondContact O-CG 3.47Å; N533-R537 PolarHBondContact O-N 2.97Å; K534-R537 PolarHBondContact O-N 2.96Å; A535-R537 PolarHBondContact O-N 3Å; R537-R540 PolarHBondContact O-N 3.36Å; R537-M541 VanDerWaalsContact O-CG 3.25Å; R537-M541 WeakPolarHBondContact O-CG 3.43Å; R537-M541 PolarHBondContact O-N 3.45Å |
| 538 | H | 81.8 | Confident | 78.6 | Confident | 35 Ų | 35 | 97 Ų | 97 | 16% | 0.162 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -62.7 | -45.2 | 177.4 | -177.2 | -97.7 | 0 | 0 | 0 | 112 | K534 A535 R540 M541 R542 F556 | K534-H538 PolarHBondContact O-N 3.23Å; A535-H538 PolarHBondContact O-N 3.01Å; H538-R540 VanDerWaalsContact C-N 3.35Å; H538-R540 PolarHBondContact O-N 3.4Å; H538-M541 PolarHBondContact O-N 3.44Å; H538-R542 PolarHBondContact O-N 3.46Å; H538-F556 HydrophobicContact CB-CD1 4.48Å; H538-F556 HydrophobicContact CB-CD2 3.69Å; H538-F556 HydrophobicContact CB-CE1 4.43Å; H538-F556 HydrophobicContact CB-CE2 3.63Å; H538-F556 HydrophobicContact CB-CG 4.11Å; H538-F556 HydrophobicContact CB-CZ 4Å; H538-F556 AromaticContact CD2-CD2 3.32Å; H538-F556 WeakPolarHBondContact CD2-CD2 3.35Å; H538-F556 AromaticContact CD2-CE2 3.68Å; H538-F556 AromaticContact CE1-CD2 3.93Å; H538-F556 AromaticContact CG-CD2 3.27Å; H538-F556 AromaticContact CG-CE2 3.67Å; H538-F556 AromaticContact CG-CG 3.81Å; H538-F556 AromaticContact ND1-CD2 3.68Å; H538-F556 AromaticContact ND1-CG 3.84Å; H538-F556 AromaticContact NE2-CD2 3.76Å |
| 539 | L | 80.5 | Confident | 78.6 | Confident | 38 Ų | 38 | 98.8 Ų | 98.8 | 20% | 0.199 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -62.2 | -40.3 | 175.8 | -69.7 | 171.5 | 0 | 0 | 0 | 112.2 | A535 I536 R542 K543 A544 I549 D552 I553 | A535-L539 WeakPolarHBondContact O-CG 3.27Å; A535-L539 PolarHBondContact O-N 3.32Å; I536-L539 PolarHBondContact O-N 2.87Å; L539-R542 PolarHBondContact O-N 2.82Å; L539-K543 PolarHBondContact O-N 3.45Å; L539-K543 VanDerWaalsContact O-N 3.17Å; L539-A544 HydrophobicContact CD2-CB 4.2Å; L539-I549 HydrophobicContact CD1-CG2 4.07Å; L539-I549 HydrophobicContact CD2-CG2 4.29Å; L539-D552 HydrophobicContact CD2-CB 3.91Å; L539-I553 HydrophobicContact CD1-CD1 4.29Å; L539-I553 HydrophobicContact CD1-CG1 4.16Å; L539-I553 HydrophobicContact CD2-CG1 4.36Å |
| 540 | R | 80.3 | Confident | 78.3 | Confident | 196 Ų | 196 | 100.3 Ų | 100.3 | 74% | 0.74 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -64.6 | -39.7 | 175.4 | -76.3 | -179.9 | -179.4 | -179.3 | 1.9 | 112.7 | I536 R537 H538 | I536-R540 WeakPolarHBondContact O-CB 3.38Å; I536-R540 WeakPolarHBondContact O-CG 3.27Å; I536-R540 PolarHBondContact O-N 3.19Å; R537-R540 PolarHBondContact O-N 3.36Å; H538-R540 VanDerWaalsContact C-N 3.35Å; H538-R540 PolarHBondContact O-N 3.4Å |
| 541 | M | 78.7 | Confident | 78.1 | Confident | 165 Ų | 165 | 102.4 Ų | 102.4 | 81% | 0.813 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -67.1 | -40.7 | 178.1 | -71.6 | -113.8 | -67.1 | 0 | 0 | 112.2 | R537 H538 | R537-M541 VanDerWaalsContact O-CG 3.25Å; R537-M541 WeakPolarHBondContact O-CG 3.43Å; R537-M541 PolarHBondContact O-N 3.45Å; H538-M541 PolarHBondContact O-N 3.44Å |
| 542 | R | 74.1 | Confident | 78.1 | Confident | 130 Ų | 130 | 103.2 Ų | 103.2 | 49% | 0.491 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -80.6 | -10.8 | -179 | -81.1 | -161.9 | 173.2 | 165.8 | 4.9 | 115.2 | H538 L539 A544 D552 S555 | H538-R542 PolarHBondContact O-N 3.46Å; L539-R542 PolarHBondContact O-N 2.82Å; R542-A544 PolarHBondContact O-N 3.39Å; R542-D552 IonicContact CZ-OD1 3.17Å; R542-D552 IonicContact NH1-OD1 3.47Å; R542-D552 PolarHBondContact NH1-OD1 3.43Å; R542-S555 PolarHBondContact NH1-OG 3.49Å; R542-S555 VanDerWaalsContact NH1-OG 3.12Å |
| 543 | K | 76.5 | Confident | 77.9 | Confident | 185 Ų | 185 | 100.9 Ų | 100.9 | 80% | 0.804 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48 | 47.6 | -173.8 | -62.8 | -176.2 | 178.4 | -179.9 | 0 | 111.5 | L539 | L539-K543 PolarHBondContact O-N 3.45Å; L539-K543 VanDerWaalsContact O-N 3.17Å |
| 544 | A | 69.3 | Low | 77.6 | Confident | 23 Ų | 23 | 101.3 Ų | 101.3 | 19% | 0.19 | 48% | 0.475 | C | S | . | . | trans | -63 | 129.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | L539 R542 D552 | L539-A544 HydrophobicContact CD2-CB 4.2Å; R542-A544 PolarHBondContact O-N 3.39Å; A544-D552 WeakPolarHBondContact CB-OD2 3.23Å | ||
| 545 | P | 77.8 | Confident | 77.3 | Confident | 71 Ų | 71 | 98.4 Ų | 98.4 | 46% | 0.461 | 47% | 0.467 | S | S | . | . | trans | -63.9 | 153.8 | 169.5 | 27.8 | -33.1 | 0 | 0 | 0 | 110 | E547 R548 | P545-E547 PolarHBondContact O-N 3.16Å; P545-E547 VanDerWaalsContact O-N 3.07Å; P545-R548 HydrophobicContact CG-CB 4.01Å; P545-R548 HydrophobicContact CG-CG 3.96Å; P545-R548 PolarHBondContact O-N 3.28Å | ||
| 546 | E | 74.7 | Confident | 77.3 | Confident | 178 Ų | 178 | 99.2 Ų | 99.2 | 83% | 0.832 | 47% | 0.469 | S | S | * | . | G | 310 helix | trans | -53 | -35.5 | -175 | -162.5 | 167.9 | -169.1 | 0 | 0 | 112.6 | R548 I549 | E546-R548 VanDerWaalsContact C-N 3.31Å; E546-R548 PolarHBondContact O-N 3.46Å; E546-I549 HydrophobicContact CG-CD1 4.31Å |
| 547 | E | 73.9 | Confident | 76.9 | Confident | 186 Ų | 186 | 96.6 Ų | 96.6 | 87% | 0.869 | 46% | 0.457 | S | S | * | . | G | 310 helix | trans | -67.6 | -21.4 | 177.5 | -60 | 176.5 | -176.2 | 0 | 0 | 114.8 | P545 | P545-E547 PolarHBondContact O-N 3.16Å; P545-E547 VanDerWaalsContact O-N 3.07Å |
| 548 | R | 75.3 | Confident | 76.4 | Confident | 162 Ų | 162 | 96.6 Ų | 96.6 | 61% | 0.611 | 46% | 0.458 | S | S | * | . | G | 310 helix | trans | -105.9 | 0.2 | -176.5 | -70.7 | -171.6 | -177.6 | -176.9 | 1.3 | 114.3 | P545 E546 V550 T551 D552 | P545-R548 HydrophobicContact CG-CB 4.01Å; P545-R548 HydrophobicContact CG-CG 3.96Å; P545-R548 PolarHBondContact O-N 3.28Å; E546-R548 VanDerWaalsContact C-N 3.31Å; E546-R548 PolarHBondContact O-N 3.46Å; R548-V550 VanDerWaalsContact C-N 3.34Å; R548-V550 PolarHBondContact O-N 3.21Å; R548-T551 PolarHBondContact O-N 3.1Å; R548-D552 PolarHBondContact O-N 2.97Å |
| 549 | I | 77.9 | Confident | 76.1 | Confident | 64 Ų | 64 | 97.6 Ų | 97.6 | 33% | 0.328 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -55.6 | -47.7 | -176 | -67.7 | 174.2 | 0 | 0 | 0 | 111.4 | L539 E546 T551 D552 I553 | L539-I549 HydrophobicContact CD1-CG2 4.07Å; L539-I549 HydrophobicContact CD2-CG2 4.29Å; E546-I549 HydrophobicContact CG-CD1 4.31Å; I549-T551 PolarHBondContact O-N 3.28Å; I549-D552 PolarHBondContact O-N 2.9Å; I549-I553 HydrophobicContact CG2-CD1 3.74Å; I549-I553 HydrophobicContact CG2-CG1 4.44Å; I549-I553 VanDerWaalsContact O-CG1 3.26Å; I549-I553 WeakPolarHBondContact O-CG1 3.43Å; I549-I553 PolarHBondContact O-N 3.35Å |
| 550 | V | 74.1 | Confident | 76 | Confident | 92 Ų | 92 | 97 Ų | 97 | 56% | 0.558 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -63.2 | -44.7 | -179.1 | -178.4 | 0 | 0 | 0 | 0 | 111.1 | R548 D552 I553 L554 | R548-V550 VanDerWaalsContact C-N 3.34Å; R548-V550 PolarHBondContact O-N 3.21Å; V550-D552 PolarHBondContact O-N 2.86Å; V550-I553 PolarHBondContact O-N 3.29Å; V550-L554 HydrophobicContact CG1-CD1 4.33Å; V550-L554 WeakPolarHBondContact O-CG 3.4Å; V550-L554 PolarHBondContact O-N 2.97Å |
| 551 | T | 75.2 | Confident | 75.5 | Confident | 94 Ų | 94 | 90.1 Ų | 90.1 | 58% | 0.577 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -63.1 | -41.6 | 178.5 | -47.5 | 0 | 0 | 0 | 0 | 111.8 | R548 I549 L554 S555 | R548-T551 PolarHBondContact O-N 3.1Å; I549-T551 PolarHBondContact O-N 3.28Å; T551-L554 PolarHBondContact O-N 3.47Å; T551-S555 PolarHBondContact O-N 3.18Å |
| 552 | D | 79.1 | Confident | 74.8 | Confident | 24 Ų | 24 | 84.7 Ų | 84.7 | 13% | 0.128 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -68.6 | -37.3 | 177.8 | -89.9 | -38.7 | 0 | 0 | 0 | 112 | L539 R542 A544 R548 I549 V550 S555 F556 | L539-D552 HydrophobicContact CD2-CB 3.91Å; R542-D552 IonicContact CZ-OD1 3.17Å; R542-D552 IonicContact NH1-OD1 3.47Å; R542-D552 PolarHBondContact NH1-OD1 3.43Å; A544-D552 WeakPolarHBondContact CB-OD2 3.23Å; R548-D552 PolarHBondContact O-N 2.97Å; I549-D552 PolarHBondContact O-N 2.9Å; V550-D552 PolarHBondContact O-N 2.86Å; D552-S555 PolarHBondContact O-N 3.31Å; D552-S555 PolarHBondContact O-OG 3.42Å; D552-F556 WeakPolarHBondContact O-CB 3.42Å; D552-F556 PolarHBondContact O-N 2.96Å |
| 553 | I | 77.8 | Confident | 74.3 | Confident | 37 Ų | 37 | 82.9 Ų | 82.9 | 19% | 0.19 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -61.4 | -47.5 | 173.1 | -70 | 166.2 | 0 | 0 | 0 | 110.5 | L502 L539 I549 V550 S555 F556 C557 | L502-I553 HydrophobicContact CD2-CG2 3.75Å; L502-I553 HydrophobicContact CG-CG2 3.99Å; L539-I553 HydrophobicContact CD1-CD1 4.29Å; L539-I553 HydrophobicContact CD1-CG1 4.16Å; L539-I553 HydrophobicContact CD2-CG1 4.36Å; I549-I553 HydrophobicContact CG2-CD1 3.74Å; I549-I553 HydrophobicContact CG2-CG1 4.44Å; I549-I553 VanDerWaalsContact O-CG1 3.26Å; I549-I553 WeakPolarHBondContact O-CG1 3.43Å; I549-I553 PolarHBondContact O-N 3.35Å; V550-I553 PolarHBondContact O-N 3.29Å; I553-S555 VanDerWaalsContact C-N 3.32Å; I553-S555 PolarHBondContact O-N 2.89Å; I553-F556 CarbonylContact O-C 3.59Å; I553-F556 WeakPolarHBondContact O-CA 3.45Å; I553-F556 WeakPolarHBondContact O-CB 3.32Å; I553-F556 PolarHBondContact O-N 3.01Å; I553-F556 VanDerWaalsContact O-N 3.09Å; I553-C557 PolarHBondContact O-N 3.43Å; I553-C557 PolarHBondContact O-SG 3.36Å |
| 554 | L | 74.1 | Confident | 73.4 | Confident | 98 Ų | 98 | 75.8 Ų | 75.8 | 51% | 0.513 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -62.5 | -39.8 | 177.7 | -68.9 | 173.1 | 0 | 0 | 0 | 111.9 | V550 T551 F556 C557 Y558 | V550-L554 HydrophobicContact CG1-CD1 4.33Å; V550-L554 WeakPolarHBondContact O-CG 3.4Å; V550-L554 PolarHBondContact O-N 2.97Å; T551-L554 PolarHBondContact O-N 3.47Å; L554-F556 VanDerWaalsContact C-N 3.29Å; L554-F556 PolarHBondContact O-N 3.02Å; L554-C557 PolarHBondContact O-N 2.86Å; L554-Y558 PolarHBondContact O-N 3.49Å |
| 555 | S | 76.4 | Confident | 72.5 | Confident | 37 Ų | 37 | 79.7 Ų | 79.7 | 26% | 0.259 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -63.9 | -36.1 | 173.9 | 83.7 | 0 | 0 | 0 | 0 | 112.3 | R542 T551 D552 I553 Y558 T559 | R542-S555 PolarHBondContact NH1-OG 3.49Å; R542-S555 VanDerWaalsContact NH1-OG 3.12Å; T551-S555 PolarHBondContact O-N 3.18Å; D552-S555 PolarHBondContact O-N 3.31Å; D552-S555 PolarHBondContact O-OG 3.42Å; I553-S555 VanDerWaalsContact C-N 3.32Å; I553-S555 PolarHBondContact O-N 2.89Å; S555-Y558 PolarHBondContact O-N 3.49Å; S555-T559 WeakPolarHBondContact O-CG2 3.32Å; S555-T559 PolarHBondContact O-N 3.17Å; S555-T559 PolarHBondContact O-OG1 3.17Å |
| 556 | F | 80.4 | Confident | 71 | Confident | 25 Ų | 25 | 83.9 Ų | 83.9 | 11% | 0.11 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -70.2 | -39.4 | 177 | -175.8 | -115.1 | 0 | 0 | 0 | 111.8 | K534 A535 H538 D552 I553 L554 T559 R560 | K534-F556 HydrophobicContact CB-CE1 4.25Å; K534-F556 HydrophobicContact CB-CZ 4.07Å; A535-F556 HydrophobicContact CB-CD1 4.27Å; A535-F556 HydrophobicContact CB-CE1 4.14Å; H538-F556 HydrophobicContact CB-CD1 4.48Å; H538-F556 HydrophobicContact CB-CD2 3.69Å; H538-F556 HydrophobicContact CB-CE1 4.43Å; H538-F556 HydrophobicContact CB-CE2 3.63Å; H538-F556 HydrophobicContact CB-CG 4.11Å; H538-F556 HydrophobicContact CB-CZ 4Å; H538-F556 AromaticContact CD2-CD2 3.32Å; H538-F556 WeakPolarHBondContact CD2-CD2 3.35Å; H538-F556 AromaticContact CD2-CE2 3.68Å; H538-F556 AromaticContact CE1-CD2 3.93Å; H538-F556 AromaticContact CG-CD2 3.27Å; H538-F556 AromaticContact CG-CE2 3.67Å; H538-F556 AromaticContact CG-CG 3.81Å; H538-F556 AromaticContact ND1-CD2 3.68Å; H538-F556 AromaticContact ND1-CG 3.84Å; H538-F556 AromaticContact NE2-CD2 3.76Å; D552-F556 WeakPolarHBondContact O-CB 3.42Å; D552-F556 PolarHBondContact O-N 2.96Å; I553-F556 CarbonylContact O-C 3.59Å; I553-F556 WeakPolarHBondContact O-CA 3.45Å; I553-F556 WeakPolarHBondContact O-CB 3.32Å; I553-F556 PolarHBondContact O-N 3.01Å; I553-F556 VanDerWaalsContact O-N 3.09Å; L554-F556 VanDerWaalsContact C-N 3.29Å; L554-F556 PolarHBondContact O-N 3.02Å; F556-T559 WeakPolarHBondContact CA-OG1 3.25Å; F556-T559 PolarHBondContact O-OG1 3.42Å; F556-R560 HydrophobicContact CE2-CG 4.39Å; F556-R560 VanDerWaalsContact CZ-CD 3.49Å; F556-R560 HydrophobicContact CZ-CG 4.37Å; F556-R560 WeakPolarHBondContact O-CB 3.38Å; F556-R560 WeakPolarHBondContact O-CD 3.49Å; F556-R560 VanDerWaalsContact O-CG 3.27Å; F556-R560 WeakPolarHBondContact O-CG 3.36Å; F556-R560 PolarHBondContact O-N 3.16Å; F556-R560 VanDerWaalsContact O-N 3.1Å |
| 557 | C | 74.3 | Confident | 69.5 | Low | 16 Ų | 16 | 79.4 Ų | 79.4 | 11% | 0.108 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -63.5 | -44 | 172.5 | -65.6 | 0 | 0 | 0 | 0 | 111.5 | S501 I553 L554 R560 S561 | S501-C557 PolarHBondContact O-SG 3.27Å; I553-C557 PolarHBondContact O-N 3.43Å; I553-C557 PolarHBondContact O-SG 3.36Å; L554-C557 PolarHBondContact O-N 2.86Å; C557-R560 PolarHBondContact O-N 3.24Å; C557-S561 PolarHBondContact O-N 3.33Å |
| 558 | Y | 72.1 | Confident | 67.8 | Low | 172 Ų | 172 | 77.6 Ų | 77.6 | 68% | 0.675 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -62.4 | -47.5 | 179.2 | -172.3 | -98.5 | 0 | 0 | 0 | 112.1 | L554 S555 R560 S561 T562 | L554-Y558 PolarHBondContact O-N 3.49Å; S555-Y558 PolarHBondContact O-N 3.49Å; Y558-R560 VanDerWaalsContact C-N 3.28Å; Y558-R560 PolarHBondContact O-N 2.96Å; Y558-S561 WeakPolarHBondContact O-CB 3.41Å; Y558-S561 PolarHBondContact O-N 2.95Å; Y558-S561 VanDerWaalsContact O-N 3.13Å; Y558-T562 HydrophobicContact CD1-CG2 4.31Å; Y558-T562 HydrophobicContact CE1-CG2 3.93Å; Y558-T562 PolarHBondContact O-N 3.34Å; Y558-T562 PolarHBondContact O-OG1 2.96Å |
| 559 | T | 75.4 | Confident | 66 | Low | 56 Ų | 56 | 78 Ų | 78 | 34% | 0.344 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -62.7 | -32.9 | 177 | 46.9 | 0 | 0 | 0 | 0 | 113.1 | S555 F556 T562 N563 | S555-T559 WeakPolarHBondContact O-CG2 3.32Å; S555-T559 PolarHBondContact O-N 3.17Å; S555-T559 PolarHBondContact O-OG1 3.17Å; F556-T559 WeakPolarHBondContact CA-OG1 3.25Å; F556-T559 PolarHBondContact O-OG1 3.42Å; T559-T562 PolarHBondContact O-OG1 2.87Å; T559-N563 VanDerWaalsContact O-CG 3.26Å; T559-N563 PolarHBondContact O-N 2.86Å; T559-N563 PolarHBondContact O-OD1 3.32Å |
| 560 | R | 78.8 | Confident | 63.9 | Low | 25 Ų | 25 | 78.7 Ų | 78.7 | 9% | 0.094 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -72.6 | -33.9 | 173.8 | -73.3 | 169 | 64.2 | -155.4 | 14.9 | 112.9 | L502 T504 E507 F556 C557 Y558 S564 | L502-R560 PolarHBondContact O-NH1 3.21Å; T504-R560 HydrophobicContact CG2-CB 3.7Å; E507-R560 IonicContact OE1-CZ 3.72Å; E507-R560 IonicContact OE1-NE 2.86Å; E507-R560 IonicContact OE1-NH2 2.66Å; E507-R560 PolarHBondContact OE1-NH2 3.03Å; E507-R560 IonicContact OE2-CZ 3.38Å; E507-R560 VanDerWaalsContact OE2-CZ 3.32Å; E507-R560 IonicContact OE2-NH1 3.31Å; E507-R560 IonicContact OE2-NH2 3.71Å; E507-R560 PolarHBondContact OE2-NH2 2.87Å; F556-R560 HydrophobicContact CE2-CG 4.39Å; F556-R560 VanDerWaalsContact CZ-CD 3.49Å; F556-R560 HydrophobicContact CZ-CG 4.37Å; F556-R560 WeakPolarHBondContact O-CB 3.38Å; F556-R560 WeakPolarHBondContact O-CD 3.49Å; F556-R560 VanDerWaalsContact O-CG 3.27Å; F556-R560 WeakPolarHBondContact O-CG 3.36Å; F556-R560 PolarHBondContact O-N 3.16Å; F556-R560 VanDerWaalsContact O-N 3.1Å; C557-R560 PolarHBondContact O-N 3.24Å; Y558-R560 VanDerWaalsContact C-N 3.28Å; Y558-R560 PolarHBondContact O-N 2.96Å; R560-S564 PolarHBondContact O-N 2.99Å; R560-S564 PolarHBondContact O-OG 3.32Å |
| 561 | S | 69 | Low | 61.9 | Low | 53 Ų | 53 | 80.3 Ų | 80.3 | 37% | 0.371 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -65.8 | -43.1 | 175.4 | -170.8 | 0 | 0 | 0 | 0 | 111.6 | C557 Y558 S564 T565 | C557-S561 PolarHBondContact O-N 3.33Å; Y558-S561 WeakPolarHBondContact O-CB 3.41Å; Y558-S561 PolarHBondContact O-N 2.95Å; Y558-S561 VanDerWaalsContact O-N 3.13Å; S561-S564 PolarHBondContact O-N 2.84Å; S561-T565 PolarHBondContact O-OG1 3.18Å; S561-T565 VanDerWaalsContact O-OG1 3.06Å |
| 562 | T | 65.3 | Low | 59.9 | Low | 51 Ų | 51 | 84.5 Ų | 84.5 | 31% | 0.313 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -69.6 | -33.5 | 178.8 | 56 | 0 | 0 | 0 | 0 | 113.5 | Y558 T559 T565 | Y558-T562 HydrophobicContact CD1-CG2 4.31Å; Y558-T562 HydrophobicContact CE1-CG2 3.93Å; Y558-T562 PolarHBondContact O-N 3.34Å; Y558-T562 PolarHBondContact O-OG1 2.96Å; T559-T562 PolarHBondContact O-OG1 2.87Å; T562-T565 PolarHBondContact O-OG1 3.45Å |
| 563 | N | 63.2 | Low | 57.6 | Low | 91 Ų | 91 | 92.3 Ų | 92.3 | 49% | 0.487 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -76 | -28.2 | 178.2 | -70.7 | 2.8 | 0 | 0 | 0 | 112.3 | T559 T565 Q566 N567 | T559-N563 VanDerWaalsContact O-CG 3.26Å; T559-N563 PolarHBondContact O-N 2.86Å; T559-N563 PolarHBondContact O-OD1 3.32Å; N563-T565 VanDerWaalsContact C-N 3.27Å; N563-T565 PolarHBondContact O-N 3.48Å; N563-Q566 PolarHBondContact O-N 3.32Å; N563-N567 PolarHBondContact O-N 3.45Å |
| 564 | S | 57 | Low | 55.5 | Low | 37 Ų | 37 | 99.6 Ų | 99.6 | 26% | 0.259 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -68 | -29.6 | 178 | -56.1 | 0 | 0 | 0 | 0 | 111.7 | R560 S561 E568 | R560-S564 PolarHBondContact O-N 2.99Å; R560-S564 PolarHBondContact O-OG 3.32Å; S561-S564 PolarHBondContact O-N 2.84Å; S564-E568 VanDerWaalsContact O-CG 3.28Å; S564-E568 WeakPolarHBondContact O-CG 3.34Å |
| 565 | T | 50.2 | Low | 53.4 | Low | 105 Ų | 105 | 102.3 Ų | 102.3 | 64% | 0.644 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -8.9 | 178.5 | 17 | 0 | 0 | 0 | 0 | 114.3 | S561 T562 N563 | S561-T565 PolarHBondContact O-OG1 3.18Å; S561-T565 VanDerWaalsContact O-OG1 3.06Å; T562-T565 PolarHBondContact O-OG1 3.45Å; N563-T565 VanDerWaalsContact C-N 3.27Å; N563-T565 PolarHBondContact O-N 3.48Å |
| 566 | Q | 45.8 | Very low | 51.3 | Low | 159 Ų | 159 | 107.4 Ų | 107.4 | 74% | 0.743 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.5 | -11.4 | -179.9 | -70.1 | -172.5 | -18 | 0 | 0 | 113.9 | N563 | N563-Q566 PolarHBondContact O-N 3.32Š|
| 567 | N | 43.3 | Very low | 49 | Very low | 83 Ų | 83 | 113.2 Ų | 113.2 | 44% | 0.444 | 58% | 0.578 | S | S | . | * | trans | -115.9 | 11.4 | -172.4 | -75.9 | -3 | 0 | 0 | 0 | 114.8 | N563 D569 S570 | N563-N567 PolarHBondContact O-N 3.45Å; N567-D569 PolarHBondContact O-N 2.86Å; N567-S570 PolarHBondContact O-N 3.35Å; N567-S570 VanDerWaalsContact O-N 3.08Å; N567-S570 PolarHBondContact O-OG 3.41Å | ||
| 568 | E | 39.5 | Very low | 47.1 | Very low | 149 Ų | 149 | 122.5 Ų | 122.5 | 70% | 0.696 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.8 | -11.9 | -174.9 | -63.4 | -167.2 | 158.1 | 0 | 0 | 114.6 | S564 | S564-E568 VanDerWaalsContact O-CG 3.28Å; S564-E568 WeakPolarHBondContact O-CG 3.34Å |
| 569 | D | 36.2 | Very low | 45.3 | Very low | 171 Ų | 171 | 121.2 Ų | 121.2 | 91% | 0.914 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.6 | -0 | 175 | -73.4 | -35.8 | 0 | 0 | 0 | 114.8 | N567 | N567-D569 PolarHBondContact O-N 2.86Š|
| 570 | S | 34.7 | Very low | 43.4 | Very low | 77 Ų | 77 | 123.2 Ų | 123.2 | 54% | 0.538 | 63% | 0.628 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -119.3 | -9.1 | -172.5 | 47 | 0 | 0 | 0 | 0 | 116.5 | N567 K572 | N567-S570 PolarHBondContact O-N 3.35Å; N567-S570 VanDerWaalsContact O-N 3.08Å; N567-S570 PolarHBondContact O-OG 3.41Å; S570-K572 VanDerWaalsContact C-N 3.26Å; S570-K572 PolarHBondContact O-N 3.09Å |
| 571 | D | 31.7 | Very low | 41.3 | Very low | 126 Ų | 126 | 126.9 Ų | 126.9 | 67% | 0.674 | 66% | 0.655 | S | S | * | * | trans | -87.5 | 61.1 | 177.4 | -73.7 | -8.8 | 0 | 0 | 0 | 111.5 | E573 | D571-E573 PolarHBondContact O-N 3.48Š| ||
| 572 | K | 33.7 | Very low | 39.6 | Very low | 183 Ų | 183 | 132.2 Ų | 132.2 | 80% | 0.796 | 68% | 0.678 | S | S | * | * | trans | -80.4 | 109.3 | 160.4 | -75.1 | -178.6 | -178.6 | 172.7 | 0 | 108.7 | S570 E574 | S570-K572 VanDerWaalsContact C-N 3.26Å; S570-K572 PolarHBondContact O-N 3.09Å; K572-E574 PolarHBondContact O-N 2.91Å | ||
| 573 | E | 29.6 | Very low | 38 | Very low | 188 Ų | 188 | 137.4 Ų | 137.4 | 88% | 0.879 | 70% | 0.696 | S | S | * | * | trans | 52.3 | 57.5 | 147.6 | -60.4 | -179.1 | 173.3 | 0 | 0 | 117.3 | D571 N575 | D571-E573 PolarHBondContact O-N 3.48Å; E573-N575 PolarHBondContact O-N 3.12Å | ||
| 574 | E | 33.5 | Very low | 36.5 | Very low | 190 Ų | 190 | 139.3 Ų | 139.3 | 89% | 0.888 | 71% | 0.714 | S | S | * | * | trans | -80.5 | 99.2 | 159.2 | -77.8 | -165 | 169.6 | 0 | 0 | 111 | K572 | K572-E574 PolarHBondContact O-N 2.91Š| ||
| 575 | N | 31 | Very low | 35.3 | Very low | 154 Ų | 154 | 147.5 Ų | 147.5 | 82% | 0.824 | 74% | 0.74 | S | S | * | * | trans | 56.8 | 85.9 | 160.3 | -70.6 | -52.5 | 0 | 0 | 0 | 116.9 | E573 | E573-N575 PolarHBondContact O-N 3.12Š| ||
| 576 | E | 32.5 | Very low | 34.6 | Very low | 144 Ų | 144 | 147.3 Ų | 147.3 | 67% | 0.673 | 74% | 0.744 | S | S | * | * | trans | -57.7 | 148.6 | 147.8 | -62.2 | -160.7 | 128.8 | 0 | 0 | 110.6 | R518 | R518-E576 IonicContact NH2-OE1 3.67Š| ||
| 577 | D | 32.2 | Very low | 33.8 | Very low | 147 Ų | 147 | 147.4 Ų | 147.4 | 79% | 0.786 | 75% | 0.749 | S | S | * | * | trans | 76.9 | 65.2 | 163.1 | -57 | -19.2 | 0 | 0 | 0 | 121.2 | ||||
| 578 | K | 34.3 | Very low | 33.4 | Very low | 211 Ų | 211 | 149.6 Ų | 149.6 | 92% | 0.917 | 77% | 0.768 | S | S | * | * | trans | -142.8 | 75.5 | 140.9 | -71.5 | -168.5 | -177.9 | 167.2 | 0 | 112.1 | ||||
| 579 | Y | 33.9 | Very low | 33.1 | Very low | 146 Ų | 146 | 151.9 Ų | 151.9 | 57% | 0.573 | 78% | 0.776 | S | S | * | * | trans | -104.2 | 117.1 | 159.5 | -173.9 | -96.5 | 0 | 0 | 0 | 108.9 | D522 | D522-Y579 PolarHBondContact OD2-OH 2.88Š| ||
| 580 | S | 34.9 | Very low | 32.9 | Very low | 98 Ų | 98 | 148.8 Ų | 148.8 | 69% | 0.685 | 76% | 0.762 | S | S | * | * | trans | -119 | 123.1 | 171.7 | -51.7 | 0 | 0 | 0 | 0 | 107.7 | I582 | S580-I582 PolarHBondContact O-N 3.44Š| ||
| 581 | P | 35.5 | Very low | 32.8 | Very low | 102 Ų | 102 | 153.1 Ų | 153.1 | 66% | 0.662 | 77% | 0.774 | S | S | * | * | trans | -65.9 | 123.7 | -177.9 | 23.6 | -29.8 | 0 | 0 | 0 | 110.4 | K583 | P581-K583 PolarHBondContact O-N 2.78Š| ||
| 582 | I | 33 | Very low | 32.9 | Very low | 165 Ų | 165 | 152.7 Ų | 152.7 | 85% | 0.846 | 78% | 0.776 | S | S | * | * | trans | -69.3 | 113.4 | 172.3 | -63 | 173.2 | 0 | 0 | 0 | 107.6 | S580 | S580-I582 PolarHBondContact O-N 3.44Š| ||
| 583 | K | 32 | Very low | 32.7 | Very low | 159 Ų | 159 | 149.7 Ų | 149.7 | 69% | 0.691 | 78% | 0.777 | S | S | * | * | trans | -65.6 | 139.9 | 167.5 | -69 | -177.7 | 179.6 | 179.1 | 0 | 109.3 | P581 Y585 | P581-K583 PolarHBondContact O-N 2.78Å; K583-Y585 PolarHBondContact O-N 3.36Å | ||
| 584 | P | 31.6 | Very low | 32.9 | Very low | 132 Ų | 132 | 144.8 Ų | 144.8 | 86% | 0.857 | 77% | 0.768 | S | S | * | * | trans | -71.1 | 105.5 | 176.8 | 28.8 | -30.3 | 0 | 0 | 0 | 108.8 | ||||
| 585 | Y | 31.6 | Very low | 32.8 | Very low | 208 Ų | 208 | 143 Ų | 143 | 82% | 0.816 | 77% | 0.765 | S | S | * | * | trans | -85 | 115.3 | 171.7 | -93.2 | -86.4 | 0 | 0 | 0 | 110.2 | K583 | K583-Y585 PolarHBondContact O-N 3.36Š| ||
| 586 | S | 35.5 | Very low | 33 | Very low | 102 Ų | 102 | 142.1 Ų | 142.1 | 71% | 0.713 | 77% | 0.765 | S | S | * | * | trans | -52.3 | 137.1 | 161.7 | 47.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 587 | N | 28.6 | Very low | 33.1 | Very low | 160 Ų | 160 | 144.8 Ų | 144.8 | 86% | 0.856 | 78% | 0.775 | S | S | * | * | trans | -10.2 | 124.8 | 166.7 | -78.3 | -16 | 0 | 0 | 0 | 117.1 | ||||
| 588 | P | 34.9 | Very low | 33.3 | Very low | 129 Ų | 129 | 143.2 Ų | 143.2 | 84% | 0.838 | 77% | 0.772 | S | S | * | * | trans | -97.3 | 120.7 | 159.5 | 32.8 | -22.5 | 0 | 0 | 0 | 110.3 | ||||
| 589 | K | 34.2 | Very low | 33.2 | Very low | 198 Ų | 198 | 139.8 Ų | 139.8 | 86% | 0.861 | 77% | 0.769 | S | S | * | * | trans | -81 | 123.5 | 154.8 | -85.1 | -177.7 | 176.3 | 178.7 | 0 | 108.1 | ||||
| 590 | V | 33 | Very low | 33 | Very low | 105 Ų | 105 | 143.2 Ų | 143.2 | 64% | 0.636 | 78% | 0.781 | S | S | * | * | trans | 70.6 | 116 | 130.2 | -176.4 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 591 | E | 31.9 | Very low | 32.9 | Very low | 169 Ų | 169 | 145.7 Ų | 145.7 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | trans | 69.9 | 147.3 | 146.3 | -68.6 | 164.7 | -168.6 | 0 | 0 | 119.2 | ||||
| 592 | T | 32.5 | Very low | 32.6 | Very low | 116 Ų | 116 | 147.3 Ų | 147.3 | 71% | 0.712 | 79% | 0.785 | S | S | * | * | cis | -167.8 | 152.5 | -12.5 | 25.3 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 593 | C | 29.7 | Very low | 32.4 | Very low | 121 Ų | 121 | 146.6 Ų | 146.6 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | 62.9 | 115.1 | 143.2 | -71.2 | 0 | 0 | 0 | 0 | 123 | ||||
| 594 | A | 34.2 | Very low | 32.4 | Very low | 84 Ų | 84 | 146.9 Ų | 146.9 | 69% | 0.694 | 79% | 0.786 | S | S | * | * | 125.6 | 120.9 | 107.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 595 | N | 32 | Very low | 32.1 | Very low | 152 Ų | 152 | 149.3 Ų | 149.3 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | trans | 50.2 | 133.1 | 138.7 | -63.8 | -15.4 | 0 | 0 | 0 | 118.5 | ||||
| 596 | T | 35 | Very low | 32.2 | Very low | 136 Ų | 136 | 150.3 Ų | 150.3 | 83% | 0.834 | 79% | 0.788 | S | S | * | * | cis | -176 | 169.9 | 47.8 | -21.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 597 | K | 34.4 | Very low | 31.9 | Very low | 200 Ų | 200 | 150.2 Ų | 150.2 | 87% | 0.87 | 79% | 0.788 | S | S | * | * | trans | -69.2 | 171 | -161 | -80.4 | 174.4 | 175.4 | 177.7 | 0 | 120.3 | ||||
| 598 | P | 36.8 | Very low | 32 | Very low | 114 Ų | 114 | 151.2 Ų | 151.2 | 74% | 0.74 | 79% | 0.792 | S | S | * | * | trans | -108.3 | 172 | -171.5 | 41.4 | -31.7 | 0 | 0 | 0 | 115.2 | ||||
| 599 | T | 31.9 | Very low | 31.9 | Very low | 139 Ų | 139 | 152.5 Ų | 152.5 | 85% | 0.853 | 79% | 0.787 | S | S | * | * | trans | -167.1 | 131.4 | 151.6 | -9.7 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 600 | R | 28.9 | Very low | 31.8 | Very low | 218 Ų | 218 | 150.7 Ų | 150.7 | 82% | 0.823 | 78% | 0.782 | S | S | * | * | trans | 67.8 | 126.1 | 134.4 | -151.6 | 172.3 | -170.5 | 172.6 | 1.8 | 123.2 | ||||
| 601 | L | 34 | Very low | 31.9 | Very low | 150 Ų | 150 | 153 Ų | 153 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | trans | -179.5 | 112.7 | 131.9 | -89.9 | 165.6 | 0 | 0 | 0 | 107.2 | ||||
| 602 | Q | 29 | Very low | 31.8 | Very low | 136 Ų | 136 | 153.5 Ų | 153.5 | 64% | 0.636 | 79% | 0.788 | S | S | * | * | 43.2 | 132.9 | 103.7 | -81.3 | 175 | -62 | 0 | 0 | 113.5 | |||||
| 603 | E | 28.3 | Very low | 31.8 | Very low | 151 Ų | 151 | 152.2 Ų | 152.2 | 71% | 0.706 | 79% | 0.789 | S | S | * | * | cis | -176.9 | 156.2 | 22.1 | -117.6 | 157.5 | -153.7 | 0 | 0 | 105.7 | ||||
| 604 | L | 31.6 | Very low | 32 | Very low | 164 Ų | 164 | 156.1 Ų | 156.1 | 86% | 0.859 | 80% | 0.795 | S | S | * | * | trans | 157.1 | 118.7 | 140 | -83.9 | 154.5 | 0 | 0 | 0 | 111.7 | ||||
| 605 | E | 25.9 | Very low | 31.8 | Very low | 183 Ų | 183 | 160.8 Ų | 160.8 | 86% | 0.855 | 80% | 0.803 | S | S | * | * | trans | -126.7 | 119.4 | -172.1 | 176.1 | -178.9 | -135.1 | 0 | 0 | 107.6 | ||||
| 606 | W | 33.5 | Very low | 31.9 | Very low | 229 Ų | 229 | 160.1 Ų | 160.1 | 87% | 0.867 | 80% | 0.804 | S | S | * | * | trans | -133 | 97.2 | 173.3 | -80.2 | 49.8 | 0 | 0 | 0 | 110 | ||||
| 607 | S | 29.7 | Very low | 31.7 | Very low | 100 Ų | 100 | 158.8 Ų | 158.8 | 70% | 0.699 | 80% | 0.798 | S | S | * | * | trans | 26.5 | 124.6 | 139.1 | 52.4 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 608 | L | 30.1 | Very low | 31.6 | Very low | 181 Ų | 181 | 156.7 Ų | 156.7 | 95% | 0.948 | 79% | 0.794 | S | S | * | * | trans | -106.9 | 129.4 | 154.1 | -99 | 157.5 | 0 | 0 | 0 | 107.9 | ||||
| 609 | E | 32.4 | Very low | 31.4 | Very low | 157 Ų | 157 | 159.9 Ų | 159.9 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | trans | -124.9 | 142.6 | 174.8 | -91 | 176.9 | 171.2 | 0 | 0 | 109.9 | ||||
| 610 | E | 33.4 | Very low | 31.4 | Very low | 160 Ų | 160 | 159.5 Ų | 159.5 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | trans | 75.4 | 131.9 | 154 | -64.8 | 171.4 | -175.3 | 0 | 0 | 117.9 | ||||
| 611 | E | 34.2 | Very low | 31.6 | Very low | 152 Ų | 152 | 156.1 Ų | 156.1 | 71% | 0.71 | 79% | 0.79 | S | S | * | * | cis | -163.6 | 140.6 | 15.2 | -115.3 | 169.9 | -176.7 | 0 | 0 | 111.2 | ||||
| 612 | E | 31.3 | Very low | 31.7 | Very low | 181 Ų | 181 | 157.3 Ų | 157.3 | 85% | 0.846 | 80% | 0.796 | S | S | * | * | trans | 60.9 | 99.7 | 144.9 | -64.3 | -174.3 | 169.6 | 0 | 0 | 122.9 | ||||
| 613 | A | 32.6 | Very low | 32 | Very low | 89 Ų | 89 | 156.4 Ų | 156.4 | 74% | 0.736 | 80% | 0.8 | S | S | * | * | trans | -125.9 | 113.7 | 145 | 0 | 0 | 0 | 0 | 0 | 108.9 | Q615 | A613-Q615 PolarHBondContact O-N 2.96Š| ||
| 614 | E | 32.5 | Very low | 32.3 | Very low | 202 Ų | 202 | 155.3 Ų | 155.3 | 94% | 0.944 | 81% | 0.806 | S | S | * | * | trans | -63.2 | 114.1 | 169.8 | -89.4 | -177.9 | 142 | 0 | 0 | 110.3 | ||||
| 615 | Q | 29.7 | Very low | 32.4 | Very low | 183 Ų | 183 | 156.8 Ų | 156.8 | 86% | 0.855 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -103.8 | 120 | 163 | -73.3 | -179.6 | 8.6 | 0 | 0 | 108.7 | A613 | A613-Q615 PolarHBondContact O-N 2.96Š|
| 616 | V | 33.9 | Very low | 32.6 | Very low | 137 Ų | 137 | 157.6 Ų | 157.6 | 83% | 0.83 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 134.8 | 164.3 | -178.6 | 0 | 0 | 0 | 0 | 108.4 | ||
| 617 | P | 32.2 | Very low | 32.6 | Very low | 109 Ų | 109 | 153.5 Ų | 153.5 | 71% | 0.708 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 137 | -167.7 | 31.5 | -33.6 | 0 | 0 | 0 | 112.8 | H619 | P617-H619 PolarHBondContact O-N 3.42Š|
| 618 | I | 31.1 | Very low | 32.6 | Very low | 156 Ų | 156 | 159.6 Ų | 159.6 | 80% | 0.8 | 82% | 0.817 | S | S | * | * | trans | -75.1 | 110.8 | 164.8 | -63 | 169.1 | 0 | 0 | 0 | 107.9 | ||||
| 619 | H | 34.3 | Very low | 32.6 | Very low | 180 Ų | 180 | 157.6 Ų | 157.6 | 83% | 0.833 | 81% | 0.812 | S | S | * | * | trans | -93.8 | 109.7 | 162.9 | -122.6 | -65.8 | 0 | 0 | 0 | 109.4 | P617 | P617-H619 PolarHBondContact O-N 3.42Š| ||
| 620 | N | 31.1 | Very low | 32.6 | Very low | 131 Ų | 131 | 157.2 Ų | 157.2 | 70% | 0.701 | 82% | 0.815 | S | S | * | * | trans | -67.4 | 128 | 165.2 | -81.9 | -29.8 | 0 | 0 | 0 | 109.6 | ||||
| 621 | N | 32.5 | Very low | 32.3 | Very low | 147 Ų | 147 | 159.3 Ų | 159.3 | 79% | 0.786 | 82% | 0.821 | S | S | * | * | trans | 173.4 | 111.5 | 138.9 | -87.4 | -24.3 | 0 | 0 | 0 | 107.8 | ||||
| 622 | L | 36.2 | Very low | 32.3 | Very low | 175 Ų | 175 | 159 Ų | 159 | 92% | 0.916 | 83% | 0.83 | S | S | * | * | trans | -178.7 | 129.8 | 136 | -91.8 | 146.9 | 0 | 0 | 0 | 110.7 | ||||
| 623 | T | 35.5 | Very low | 32.2 | Very low | 118 Ų | 118 | 155.9 Ų | 155.9 | 72% | 0.724 | 83% | 0.828 | S | S | * | * | trans | -40.5 | 150.9 | -179.6 | 44.8 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 624 | P | 34.3 | Very low | 32.2 | Very low | 127 Ų | 127 | 155.5 Ų | 155.5 | 83% | 0.825 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -88.6 | 119.4 | 173.6 | 34.2 | -27.7 | 0 | 0 | 0 | 110.9 | ||
| 625 | E | 34.1 | Very low | 32.1 | Very low | 195 Ų | 195 | 156.1 Ų | 156.1 | 91% | 0.911 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -95.3 | 135.8 | 169.8 | -141.5 | 179.8 | -172.6 | 0 | 0 | 111.5 | ||
| 626 | K | 30 | Very low | 32.2 | Very low | 200 Ų | 200 | 151.7 Ų | 151.7 | 87% | 0.87 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 129.8 | -171.6 | -67.5 | 164.5 | 176.5 | 168.3 | 0 | 111 | ||
| 627 | V | 33 | Very low | 32.1 | Very low | 143 Ų | 143 | 151.6 Ų | 151.6 | 87% | 0.867 | 83% | 0.826 | S | S | * | * | trans | -124.6 | 125.8 | 156.3 | -177.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 628 | R | 30 | Very low | 32 | Very low | 229 Ų | 229 | 153.9 Ų | 153.9 | 86% | 0.864 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 132.4 | -172.6 | -75.5 | 170.7 | 166.3 | 165.6 | -4.8 | 112.1 | ||
| 629 | V | 30.1 | Very low | 31.9 | Very low | 138 Ų | 138 | 155 Ų | 155 | 84% | 0.836 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -90.5 | 116.3 | 161.5 | 179.4 | 0 | 0 | 0 | 0 | 108.5 | ||
| 630 | N | 32.6 | Very low | 31.6 | Very low | 149 Ų | 149 | 151.8 Ų | 151.8 | 80% | 0.797 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -86.5 | 117.6 | 167.3 | -85.9 | -13.9 | 0 | 0 | 0 | 110 | ||
| 631 | K | 28.5 | Very low | 31.4 | Very low | 204 Ų | 204 | 154.7 Ų | 154.7 | 89% | 0.887 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 132.6 | 164.6 | -87.7 | 172.8 | 170.3 | 170.6 | 0 | 110.2 | ||
| 632 | V | 33.7 | Very low | 31.3 | Very low | 146 Ų | 146 | 156.5 Ų | 156.5 | 89% | 0.885 | 84% | 0.837 | S | S | * | * | trans | -128.7 | 124.9 | 145.1 | -177.6 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 633 | S | 28.9 | Very low | 30.8 | Very low | 116 Ų | 116 | 153.5 Ų | 153.5 | 81% | 0.811 | 83% | 0.831 | S | S | * | * | trans | -79.6 | 140.5 | -177.7 | 50.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 634 | G | 32.8 | Very low | 30.4 | Very low | 80 Ų | 80 | 156.7 Ų | 156.7 | 83% | 0.825 | 84% | 0.835 | S | S | * | * | trans | -154.8 | 105.6 | 162 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 635 | K | 29.4 | Very low | 30 | Very low | 215 Ų | 215 | 158.8 Ų | 158.8 | 94% | 0.935 | 84% | 0.839 | S | S | * | * | trans | -77.4 | 136.3 | 175.2 | -75.6 | 173.6 | 171.8 | 175.8 | 0 | 110.4 | ||||
| 636 | A | 33.1 | Very low | 29.7 | Very low | 91 Ų | 91 | 158.5 Ų | 158.5 | 75% | 0.752 | 84% | 0.835 | S | S | * | * | trans | -169 | 102 | 139.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 637 | T | 31.7 | Very low | 29.7 | Very low | 134 Ų | 134 | 158.8 Ų | 158.8 | 82% | 0.822 | 84% | 0.836 | S | S | * | * | trans | 45.4 | 107.4 | 130.5 | -33.6 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 638 | L | 28.8 | Very low | 29.5 | Very low | 158 Ų | 158 | 157.8 Ų | 157.8 | 83% | 0.827 | 84% | 0.835 | S | S | * | * | trans | -1.6 | 130.1 | 139 | -70.5 | 146.3 | 0 | 0 | 0 | 118.6 | ||||
| 639 | Q | 30.2 | Very low | 29.7 | Very low | 179 Ų | 179 | 151.6 Ų | 151.6 | 84% | 0.836 | 82% | 0.823 | S | S | * | * | -173.3 | 134.4 | 109.9 | -100.3 | 178.2 | 30.7 | 0 | 0 | 114.2 | |||||
| 640 | T | 28.3 | Very low | 30 | Very low | 113 Ų | 113 | 147.1 Ų | 147.1 | 69% | 0.693 | 80% | 0.797 | S | S | * | * | trans | 71.6 | 107.4 | 148.6 | 30.9 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 641 | K | 26.5 | Very low | 30.1 | Very low | 192 Ų | 192 | 144.4 Ų | 144.4 | 84% | 0.835 | 79% | 0.79 | S | S | * | * | 46.5 | 110.7 | 124.4 | -63.9 | -178.1 | 179.3 | -179.2 | 0 | 118.4 | |||||
| 642 | Q | 29.6 | Very low | 30.6 | Very low | 184 Ų | 184 | 136.1 Ų | 136.1 | 86% | 0.86 | 76% | 0.757 | S | S | * | * | -173.1 | 133.6 | 111.9 | -101 | 171.8 | 6.5 | 0 | 0 | 111.1 | |||||
| 643 | S | 25.2 | Very low | 30.9 | Very low | 112 Ų | 112 | 134.4 Ų | 134.4 | 78% | 0.783 | 74% | 0.739 | S | S | * | * | trans | -73.8 | 128.7 | 179.4 | 50.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 644 | F | 28.8 | Very low | 31.2 | Very low | 185 Ų | 185 | 133.4 Ų | 133.4 | 81% | 0.811 | 72% | 0.724 | S | S | * | * | trans | -137.6 | 111.6 | 155.4 | -92.3 | -82.3 | 0 | 0 | 0 | 109.4 | K646 | F644-K646 PolarHBondContact O-N 3Š| ||
| 645 | N | 25.3 | Very low | 31.5 | Very low | 171 Ų | 171 | 133 Ų | 133 | 91% | 0.914 | 70% | 0.703 | S | S | * | * | trans | -61.9 | 110.5 | 166.6 | -89.3 | -19.7 | 0 | 0 | 0 | 108.8 | ||||
| 646 | K | 28.1 | Very low | 31.7 | Very low | 190 Ų | 190 | 127.8 Ų | 127.8 | 83% | 0.826 | 68% | 0.684 | S | S | * | * | trans | -116.7 | 121 | 162.2 | -85.4 | -176 | 175.1 | -179.9 | 0 | 108.4 | F644 S648 | F644-K646 PolarHBondContact O-N 3Å; K646-S648 PolarHBondContact O-N 3.27Å | ||
| 647 | K | 29.3 | Very low | 31.8 | Very low | 205 Ų | 205 | 127.6 Ų | 127.6 | 89% | 0.891 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 128.3 | 167 | -72.7 | 179.3 | 174.2 | -179.2 | 0 | 108.4 | V649 | K647-V649 PolarHBondContact O-N 2.96Š|
| 648 | S | 28.4 | Very low | 31.7 | Very low | 122 Ų | 122 | 125.7 Ų | 125.7 | 85% | 0.853 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 121 | 177.8 | 53.6 | 0 | 0 | 0 | 0 | 110.2 | K646 | K646-S648 PolarHBondContact O-N 3.27Š|
| 649 | V | 35.2 | Very low | 31.7 | Very low | 99 Ų | 99 | 124.8 Ų | 124.8 | 60% | 0.6 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -88.5 | 137.1 | 170.9 | -178.7 | 0 | 0 | 0 | 0 | 107.6 | K647 | K647-V649 PolarHBondContact O-N 2.96Š|
| 650 | P | 35.4 | Very low | 31.9 | Very low | 45 Ų | 45 | 123 Ų | 123 | 29% | 0.292 | 64% | 0.642 | S | S | . | * | P | Polyproline II helix | trans | -64.9 | 137.9 | 177.6 | 27 | -33.5 | 0 | 0 | 0 | 110.8 | L192 | L192-P650 HydrophobicContact CD2-CG 4.18Š|
| 651 | S | 35.7 | Very low | 32.2 | Very low | 92 Ų | 92 | 124 Ų | 124 | 64% | 0.643 | 64% | 0.643 | S | S | * | * | trans | -99.2 | 115.2 | 178 | 61.3 | 0 | 0 | 0 | 0 | 110.4 | N194 | N194-S651 PolarHBondContact OD1-O 3.45Š| ||
| 652 | C | 38 | Very low | 32.3 | Very low | 30 Ų | 30 | 124.4 Ų | 124.4 | 20% | 0.203 | 65% | 0.645 | C | S | . | * | trans | -58.8 | 139.2 | 170.7 | -74.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 653 | Q | 39.7 | Very low | 32.3 | Very low | 109 Ų | 109 | 119.5 Ų | 119.5 | 51% | 0.509 | 64% | 0.644 | S | S | . | * | trans | -73.2 | 134.8 | 172.6 | -72.6 | -177.3 | -9.7 | 0 | 0 | 110.4 | ||||
| 654 | L | 35.4 | Very low | 32.6 | Very low | 95 Ų | 95 | 123.8 Ų | 123.8 | 50% | 0.497 | 65% | 0.649 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -113.6 | 124 | 177.6 | -74.5 | 160.9 | 0 | 0 | 0 | 108 | R200 F235 | R200-L654 HydrophobicContact CG-CD2 4.25Å; F235-L654 HydrophobicContact CD1-CD2 3.96Å; F235-L654 HydrophobicContact CE1-CD2 3.83Å |
| 655 | I | 40.4 | Very low | 32.8 | Very low | 73 Ų | 73 | 122 Ų | 122 | 37% | 0.374 | 65% | 0.648 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -124 | 130.5 | 174.5 | -57.3 | 177.9 | 0 | 0 | 0 | 108.8 | T197 Y199 R200 | T197-I655 HydrophobicContact CG2-CD1 4.34Å; T197-I655 HydrophobicContact CG2-CG1 4.39Å; Y199-I655 HydrophobicContact CD1-CB 4.4Å; Y199-I655 HydrophobicContact CE1-CB 4.21Å; Y199-I655 HydrophobicContact CE1-CG2 4.24Å; R200-I655 PolarHBondContact N-O 3.43Å |
| 656 | L | 32.8 | Very low | 33 | Very low | 105 Ų | 105 | 118.1 Ų | 118.1 | 55% | 0.55 | 63% | 0.634 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -87.2 | 128.6 | 176.3 | -70.1 | 171 | 0 | 0 | 0 | 108.9 | R200 T202 | R200-L656 HydrophobicContact CB-CD2 4.07Å; T202-L656 HydrophobicContact CG2-CB 3.71Å |
| 657 | Q | 34.6 | Very low | 33.4 | Very low | 86 Ų | 86 | 115.3 Ų | 115.3 | 40% | 0.402 | 63% | 0.628 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -93.6 | 112.8 | -177.7 | -142.3 | 178.6 | -6.9 | 0 | 0 | 110.6 | Y199 R200 T202 | Y199-Q657 HydrophobicContact CD1-CG 4.42Å; R200-Q657 PolarHBondContact O-N 2.88Å; T202-Q657 WeakPolarHBondContact CB-O 3.46Å; T202-Q657 WeakPolarHBondContact CG2-O 3.16Å; T202-Q657 PolarHBondContact OG1-O 2.98Å |
| 658 | T | 29.8 | Very low | 33.6 | Very low | 95 Ų | 95 | 114.1 Ų | 114.1 | 58% | 0.583 | 62% | 0.623 | S | S | * | * | trans | -87.2 | 145.1 | 171.6 | 52.9 | 0 | 0 | 0 | 0 | 110.8 | T202 D660 | T202-T658 HydrophobicContact CG2-CG2 3.92Å; T658-D660 PolarHBondContact O-N 3.19Å; T658-D660 PolarHBondContact OG1-OD2 3.06Å | ||
| 659 | K | 29.9 | Very low | 34 | Very low | 138 Ų | 138 | 116.4 Ų | 116.4 | 60% | 0.6 | 63% | 0.626 | S | S | * | * | trans | -83.4 | 96.4 | 159.6 | -80.5 | 178.9 | 174.7 | 172.5 | 0 | 107.2 | ||||
| 660 | D | 32.9 | Very low | 33.9 | Very low | 143 Ų | 143 | 121 Ų | 121 | 77% | 0.765 | 64% | 0.641 | S | S | * | * | trans | -118.7 | 107.5 | 162.2 | -72.7 | -48 | 0 | 0 | 0 | 108.5 | T658 | T658-D660 PolarHBondContact O-N 3.19Å; T658-D660 PolarHBondContact OG1-OD2 3.06Å | ||
| 661 | D | 34.7 | Very low | 33.9 | Very low | 134 Ų | 134 | 123.3 Ų | 123.3 | 72% | 0.717 | 66% | 0.663 | S | S | * | * | trans | -63.1 | 137.3 | 174.1 | -85.3 | -40.5 | 0 | 0 | 0 | 112.1 | ||||
| 662 | F | 29.7 | Very low | 33.7 | Very low | 199 Ų | 199 | 125.7 Ų | 125.7 | 87% | 0.873 | 67% | 0.674 | S | S | * | * | trans | 47.2 | 114.8 | 142.2 | -66 | -84.2 | 0 | 0 | 0 | 120.6 | ||||
| 663 | G | 28.7 | Very low | 33.6 | Very low | 81 Ų | 81 | 131.2 Ų | 131.2 | 84% | 0.835 | 71% | 0.707 | S | S | * | * | trans | -172.5 | 62.8 | 154.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 664 | F | 30.7 | Very low | 33.3 | Very low | 203 Ų | 203 | 134.6 Ų | 134.6 | 89% | 0.89 | 73% | 0.728 | S | S | * | * | trans | -97.3 | 100.7 | 168.1 | -144.7 | -88.3 | 0 | 0 | 0 | 108.3 | ||||
| 665 | D | 34.5 | Very low | 33.2 | Very low | 147 Ų | 147 | 134.1 Ų | 134.1 | 79% | 0.786 | 74% | 0.738 | S | S | * | * | trans | -72.6 | 143.6 | 162.5 | -102.4 | -30.2 | 0 | 0 | 0 | 109.5 | ||||
| 666 | S | 29.3 | Very low | 32.7 | Very low | 90 Ų | 90 | 137.9 Ų | 137.9 | 63% | 0.629 | 76% | 0.759 | S | S | * | * | trans | -46.8 | 134.4 | 175.5 | 51.1 | 0 | 0 | 0 | 0 | 114 | ||||
| 667 | D | 36.8 | Very low | 32.8 | Very low | 130 Ų | 130 | 142.2 Ų | 142.2 | 70% | 0.695 | 78% | 0.778 | S | S | * | * | -176 | 129.7 | 110.4 | -88.7 | -33.3 | 0 | 0 | 0 | 111.7 | |||||
| 668 | K | 33.5 | Very low | 33 | Very low | 180 Ų | 180 | 144.7 Ų | 144.7 | 78% | 0.783 | 80% | 0.799 | S | S | * | * | trans | 21.2 | 120.3 | 146.9 | -60.9 | 170.2 | -177.5 | 168.6 | 0 | 117.6 | ||||
| 669 | D | 36.6 | Very low | 33.3 | Very low | 171 Ų | 171 | 148.1 Ų | 148.1 | 91% | 0.914 | 81% | 0.808 | S | S | * | * | -162.1 | 132.1 | 125.3 | -87.3 | -29.6 | 0 | 0 | 0 | 111.1 | |||||
| 670 | E | 32.2 | Very low | 33.5 | Very low | 195 Ų | 195 | 148.3 Ų | 148.3 | 91% | 0.911 | 82% | 0.816 | S | S | * | * | trans | -78.4 | 137.7 | -178.4 | -63.5 | 170 | 142.9 | 0 | 0 | 111.5 | ||||
| 671 | A | 35 | Very low | 33.9 | Very low | 93 Ų | 93 | 148.6 Ų | 148.6 | 77% | 0.769 | 82% | 0.823 | S | S | * | * | trans | -168.4 | 86.2 | 146.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 672 | T | 33.3 | Very low | 34 | Very low | 143 Ų | 143 | 146.6 Ų | 146.6 | 88% | 0.877 | 82% | 0.819 | S | S | * | * | trans | 5.9 | 117 | 146.8 | 33.9 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 673 | T | 34.6 | Very low | 34.3 | Very low | 145 Ų | 145 | 142.5 Ų | 142.5 | 89% | 0.89 | 81% | 0.811 | S | S | * | * | trans | -71.4 | 143 | 152 | 41.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 674 | L | 32.9 | Very low | 34.8 | Very low | 180 Ų | 180 | 145.1 Ų | 145.1 | 94% | 0.942 | 81% | 0.805 | S | S | * | * | trans | -119.6 | 99.2 | 179.1 | -153.5 | 147.6 | 0 | 0 | 0 | 108.6 | ||||
| 675 | A | 33.6 | Very low | 35.2 | Very low | 85 Ų | 85 | 142 Ų | 142 | 70% | 0.702 | 80% | 0.798 | S | S | * | * | trans | -160.2 | 139.6 | 159.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 676 | D | 31.6 | Very low | 35.4 | Very low | 153 Ų | 153 | 141.5 Ų | 141.5 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | 82.9 | 90.1 | 168.8 | -56.9 | -14.2 | 0 | 0 | 0 | 118.5 | ||||
| 677 | M | 33.6 | Very low | 35.9 | Very low | 196 Ų | 196 | 143.2 Ų | 143.2 | 97% | 0.966 | 80% | 0.802 | S | S | * | * | trans | -140.4 | 116.4 | 139.5 | -67.6 | -167.6 | 90.8 | 0 | 0 | 109.7 | ||||
| 678 | V | 39.3 | Very low | 35.9 | Very low | 137 Ų | 137 | 142.3 Ų | 142.3 | 83% | 0.83 | 81% | 0.806 | S | S | * | * | trans | -106.8 | 146.7 | 162.8 | -178.3 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 679 | E | 35.9 | Very low | 36.1 | Very low | 168 Ų | 168 | 138.7 Ų | 138.7 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | trans | 118 | 113.6 | 161.3 | -61 | -166.4 | 166.2 | 0 | 0 | 116.6 | ||||
| 680 | D | 34.3 | Very low | 36.2 | Very low | 141 Ų | 141 | 135.8 Ų | 135.8 | 75% | 0.754 | 80% | 0.797 | S | S | * | * | trans | 74.6 | 98.7 | 140 | -59.3 | -11.2 | 0 | 0 | 0 | 121.2 | ||||
| 681 | V | 41 | Very low | 36.3 | Very low | 150 Ų | 150 | 134.4 Ų | 134.4 | 91% | 0.909 | 79% | 0.794 | S | S | * | * | trans | -141.3 | 121.8 | 139.3 | -175.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 682 | S | 37 | Very low | 36.5 | Very low | 91 Ų | 91 | 137.8 Ų | 137.8 | 64% | 0.636 | 80% | 0.8 | S | S | * | * | trans | -87.2 | 163.8 | 173.3 | 54.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 683 | T | 36.5 | Very low | 36.5 | Very low | 114 Ų | 114 | 139.3 Ų | 139.3 | 70% | 0.699 | 80% | 0.797 | S | S | * | * | trans | 67.6 | 134.3 | 156.3 | 51.3 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 684 | D | 37.9 | Very low | 36.8 | Very low | 136 Ų | 136 | 136.1 Ų | 136.1 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | cis | -167.4 | 173.5 | 6.9 | -91.3 | -30.4 | 0 | 0 | 0 | 108.5 | ||||
| 685 | D | 40.6 | Very low | 36.9 | Very low | 137 Ų | 137 | 135.9 Ų | 135.9 | 73% | 0.733 | 78% | 0.784 | S | S | * | * | trans | 92.4 | 94.4 | 153.9 | -62 | -18.2 | 0 | 0 | 0 | 121.6 | ||||
| 686 | D | 38.5 | Very low | 37 | Very low | 137 Ų | 137 | 141.4 Ų | 141.4 | 73% | 0.733 | 79% | 0.793 | S | S | * | * | 60.2 | 110.9 | 111.5 | -71.6 | -10.5 | 0 | 0 | 0 | 121.8 | |||||
| 687 | T | 38.8 | Very low | 37.3 | Very low | 125 Ų | 125 | 138.3 Ų | 138.3 | 77% | 0.767 | 79% | 0.789 | S | S | * | * | 153.4 | 124.7 | 102.7 | 43.6 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 688 | S | 36.7 | Very low | 37.3 | Very low | 111 Ų | 111 | 138.8 Ų | 138.8 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | trans | 63.3 | 142.8 | 141.5 | 77.3 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 689 | S | 38 | Very low | 37.2 | Very low | 105 Ų | 105 | 141.7 Ų | 141.7 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | cis | -176 | 168.8 | 4.3 | 47.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 690 | S | 38.1 | Very low | 37 | Very low | 110 Ų | 110 | 140.4 Ų | 140.4 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | trans | 87.3 | 100.9 | 167.9 | 75.4 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 691 | L | 36.3 | Very low | 37.1 | Very low | 165 Ų | 165 | 145.1 Ų | 145.1 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | 69 | 102.8 | 65.2 | -68.3 | 171.8 | 0 | 0 | 0 | 115 | |||||
| 692 | N | 37.5 | Very low | 36.8 | Very low | 165 Ų | 165 | 145.3 Ų | 145.3 | 88% | 0.882 | 79% | 0.792 | S | S | * | * | -173 | 147.8 | 108.7 | -120.1 | -12.9 | 0 | 0 | 0 | 114.3 | |||||
| 693 | E | 33.2 | Very low | 36.8 | Very low | 174 Ų | 174 | 144.5 Ų | 144.5 | 81% | 0.813 | 80% | 0.798 | S | S | * | * | trans | -84.2 | 156.1 | -169.1 | -57.3 | 179.8 | 135.8 | 0 | 0 | 115.4 | ||||
| 694 | G | 41.9 | Very low | 36.9 | Very low | 79 Ų | 79 | 149.9 Ų | 149.9 | 81% | 0.814 | 81% | 0.805 | S | S | * | * | trans | -167.8 | 103.7 | 163.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 695 | K | 34.2 | Very low | 36.8 | Very low | 174 Ų | 174 | 150.7 Ų | 150.7 | 76% | 0.757 | 81% | 0.81 | S | S | * | * | trans | -71.7 | 148.7 | -176.3 | -68.2 | 165.8 | 174.8 | 164.9 | 0 | 113.6 | ||||
| 696 | F | 36.9 | Very low | 36.9 | Very low | 202 Ų | 202 | 149.5 Ų | 149.5 | 89% | 0.886 | 81% | 0.809 | S | S | * | * | 171.9 | 131.6 | 111.5 | -102.3 | -82.3 | 0 | 0 | 0 | 115.2 | |||||
| 697 | A | 36.5 | Very low | 37.1 | Very low | 88 Ų | 88 | 150 Ų | 150 | 73% | 0.727 | 82% | 0.816 | S | S | * | * | trans | 57.8 | 104.6 | 153.9 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 698 | K | 35.4 | Very low | 37.1 | Very low | 206 Ų | 206 | 149.2 Ų | 149.2 | 90% | 0.896 | 82% | 0.817 | S | S | * | * | 68.9 | 104.3 | 77.4 | -85.2 | -170.5 | 177.4 | 179.5 | 0 | 117.3 | |||||
| 699 | Q | 36.4 | Very low | 37.3 | Very low | 198 Ų | 198 | 149.7 Ų | 149.7 | 93% | 0.925 | 82% | 0.817 | S | S | * | * | -174.6 | 119.1 | 115.5 | -102.9 | 174 | -6.1 | 0 | 0 | 111.6 | |||||
| 700 | N | 30.5 | Very low | 37.6 | Very low | 141 Ų | 141 | 150.9 Ų | 150.9 | 75% | 0.754 | 82% | 0.822 | S | S | * | * | trans | -103.2 | 148.1 | 169.3 | -88.6 | -18.7 | 0 | 0 | 0 | 108.7 | ||||
| 701 | Y | 37.8 | Very low | 37.5 | Very low | 239 Ų | 239 | 153 Ų | 153 | 94% | 0.937 | 83% | 0.825 | S | S | * | * | trans | -152 | 123.6 | 140.5 | -106 | -79.2 | 0 | 0 | 0 | 111.1 | ||||
| 702 | I | 34.9 | Very low | 37.6 | Very low | 155 Ų | 155 | 152.9 Ų | 152.9 | 80% | 0.795 | 83% | 0.825 | S | S | * | * | trans | -106.3 | 146.5 | 173.6 | -68.5 | 167.5 | 0 | 0 | 0 | 107 | ||||
| 703 | G | 36.7 | Very low | 37.7 | Very low | 74 Ų | 74 | 149.6 Ų | 149.6 | 76% | 0.763 | 82% | 0.821 | S | S | * | * | trans | 164.2 | 82.2 | 160.6 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 704 | R | 37.2 | Very low | 37.9 | Very low | 227 Ų | 227 | 148.9 Ų | 148.9 | 86% | 0.857 | 82% | 0.822 | S | S | * | * | trans | 8.7 | 134.3 | 145.1 | -69.9 | -179.9 | 177.3 | -176.5 | -1.2 | 123.3 | ||||
| 705 | N | 36 | Very low | 37.9 | Very low | 153 Ų | 153 | 151.2 Ų | 151.2 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | 78.2 | 149.3 | 129.7 | -72.9 | 1.9 | 0 | 0 | 0 | 124.3 | |||||
| 706 | P | 42.7 | Very low | 37.9 | Very low | 111 Ų | 111 | 152.1 Ų | 152.1 | 72% | 0.721 | 83% | 0.826 | S | S | * | * | trans | -116.4 | 156.9 | -159.7 | 39.9 | -25.4 | 0 | 0 | 0 | 115.4 | ||||
| 707 | V | 43.4 | Very low | 38 | Very low | 147 Ų | 147 | 149.5 Ų | 149.5 | 89% | 0.891 | 83% | 0.827 | S | S | * | * | trans | -153.4 | 143.5 | 157.6 | -177.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 708 | S | 37.9 | Very low | 37.9 | Very low | 110 Ų | 110 | 153 Ų | 153 | 77% | 0.769 | 83% | 0.834 | S | S | * | * | trans | -62.7 | 169.6 | -176.1 | -26.2 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 709 | P | 41.7 | Very low | 38.1 | Very low | 120 Ų | 120 | 155.4 Ų | 155.4 | 78% | 0.779 | 84% | 0.837 | S | S | * | * | trans | -106.1 | 177.8 | -163.6 | 41.3 | -33.2 | 0 | 0 | 0 | 115 | ||||
| 710 | P | 43.8 | Very low | 38.1 | Very low | 131 Ų | 131 | 152 Ų | 152 | 85% | 0.851 | 84% | 0.835 | S | S | * | * | trans | -140.5 | 164.2 | 140.2 | 33.7 | -15.8 | 0 | 0 | 0 | 116.1 | ||||
| 711 | N | 36 | Very low | 38.7 | Very low | 153 Ų | 153 | 149 Ų | 149 | 82% | 0.818 | 84% | 0.838 | S | S | * | * | trans | -64 | 150.4 | 177 | -69.8 | -41.1 | 0 | 0 | 0 | 114.4 | ||||
| 712 | D | 40 | Very low | 38.6 | Very low | 163 Ų | 163 | 150 Ų | 150 | 87% | 0.872 | 84% | 0.84 | S | S | * | * | 178.4 | 143 | 119.5 | -100.1 | -23.7 | 0 | 0 | 0 | 115.7 | |||||
| 713 | A | 39.1 | Very low | 38.9 | Very low | 96 Ų | 96 | 146 Ų | 146 | 79% | 0.793 | 84% | 0.838 | S | S | * | * | trans | 69.2 | 124.9 | 143.6 | 0 | 0 | 0 | 0 | 0 | 124 | ||||
| 714 | L | 37.6 | Very low | 39 | Very low | 159 Ų | 159 | 154.8 Ų | 154.8 | 83% | 0.832 | 85% | 0.848 | S | S | * | * | trans | -65.7 | 168.9 | 166.8 | -71.9 | 154.4 | 0 | 0 | 0 | 114.1 | ||||
| 715 | P | 40.3 | Very low | 39 | Very low | 128 Ų | 128 | 147.4 Ų | 147.4 | 83% | 0.831 | 84% | 0.842 | S | S | * | * | -144.1 | 159.9 | 109.6 | 33.1 | -15.5 | 0 | 0 | 0 | 116.9 | |||||
| 716 | K | 34.8 | Very low | 39.2 | Very low | 193 Ų | 193 | 147.4 Ų | 147.4 | 84% | 0.839 | 85% | 0.847 | S | S | * | * | trans | -81.7 | 151.3 | 179 | -60.7 | 171.2 | 175.9 | 175 | 0 | 112.6 | ||||
| 717 | T | 39.3 | Very low | 38.8 | Very low | 148 Ų | 148 | 152.4 Ų | 152.4 | 91% | 0.908 | 85% | 0.852 | S | S | * | * | trans | -159.7 | 146.9 | 136.1 | 47.4 | 0 | 0 | 0 | 0 | 113 | ||||
| 718 | N | 35.1 | Very low | 38.6 | Very low | 161 Ų | 161 | 152.2 Ų | 152.2 | 86% | 0.861 | 85% | 0.851 | S | S | * | * | trans | -72.7 | 156 | -168.2 | -65.1 | -42.8 | 0 | 0 | 0 | 116.8 | ||||
| 719 | R | 39.9 | Very low | 38.5 | Very low | 257 Ų | 257 | 153.3 Ų | 153.3 | 97% | 0.97 | 85% | 0.848 | S | S | * | * | trans | -151.8 | 127.4 | 137.5 | -108.3 | 177.5 | -175.1 | -178.3 | 1.6 | 111.4 | ||||
| 720 | S | 36.2 | Very low | 38.4 | Very low | 125 Ų | 125 | 155.1 Ų | 155.1 | 87% | 0.874 | 85% | 0.851 | S | S | * | * | trans | -93.7 | 150.6 | -179.1 | 47.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 721 | G | 41.6 | Very low | 38.2 | Very low | 80 Ų | 80 | 154.2 Ų | 154.2 | 83% | 0.825 | 84% | 0.843 | S | S | * | * | trans | -163 | 116.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 722 | R | 37 | Very low | 38.1 | Very low | 259 Ų | 259 | 152.7 Ų | 152.7 | 98% | 0.977 | 84% | 0.844 | S | S | * | * | trans | -63.9 | 154.6 | -172.1 | -78.1 | 164.8 | 157 | 174.5 | -5.7 | 116.1 | ||||
| 723 | G | 40 | Very low | 37.9 | Very low | 72 Ų | 72 | 149 Ų | 149 | 74% | 0.742 | 85% | 0.845 | S | S | * | * | trans | 168.9 | 98 | 145.5 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 724 | R | 39.8 | Very low | 37.7 | Very low | 258 Ų | 258 | 148.2 Ų | 148.2 | 97% | 0.974 | 85% | 0.846 | S | S | * | * | trans | 32.8 | 128.9 | 147.3 | -61.7 | 177.8 | 173.4 | -170.9 | -3.1 | 119.2 | ||||
| 725 | G | 35.8 | Very low | 37.4 | Very low | 72 Ų | 72 | 146.7 Ų | 146.7 | 74% | 0.742 | 85% | 0.849 | S | S | * | * | cis | 108.8 | 96.4 | 19.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 726 | V | 40.7 | Very low | 37.5 | Very low | 152 Ų | 152 | 146.2 Ų | 146.2 | 92% | 0.921 | 85% | 0.848 | S | S | * | * | trans | -153.3 | 126.3 | 149.2 | 179.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 727 | R | 33.9 | Very low | 37.4 | Very low | 216 Ų | 216 | 149.1 Ų | 149.1 | 82% | 0.815 | 85% | 0.854 | S | S | * | * | trans | -93.4 | 151.5 | 171.5 | -85.7 | 172.8 | 151.7 | 172.8 | -7.4 | 110.1 | ||||
| 728 | T | 40.6 | Very low | 37.3 | Very low | 144 Ų | 144 | 146 Ų | 146 | 88% | 0.883 | 85% | 0.851 | S | S | * | * | trans | -157.6 | 122.8 | 130.3 | 42.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 729 | D | 34.7 | Very low | 37.4 | Very low | 132 Ų | 132 | 150.4 Ų | 150.4 | 71% | 0.706 | 86% | 0.856 | S | S | * | * | trans | -74.2 | 168 | 166.3 | -66.8 | -57.2 | 0 | 0 | 0 | 112.1 | ||||
| 730 | L | 40.3 | Very low | 37.2 | Very low | 158 Ų | 158 | 141.6 Ų | 141.6 | 83% | 0.827 | 85% | 0.845 | S | S | * | * | trans | 160.1 | 95.2 | 141 | -83 | 160 | 0 | 0 | 0 | 109.1 | ||||
| 731 | T | 39.1 | Very low | 37.4 | Very low | 113 Ų | 113 | 144 Ų | 144 | 69% | 0.693 | 85% | 0.848 | S | S | * | * | 63.7 | 108.7 | 94.2 | 63.1 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 732 | S | 33.8 | Very low | 37.1 | Very low | 121 Ų | 121 | 149.2 Ų | 149.2 | 85% | 0.846 | 85% | 0.848 | S | S | * | * | trans | 28.6 | 132.2 | 132.3 | 63 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 733 | G | 35.5 | Very low | 37.1 | Very low | 86 Ų | 86 | 149 Ų | 149 | 89% | 0.887 | 85% | 0.847 | S | S | * | * | trans | 142 | 135.8 | 138.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 734 | G | 34.8 | Very low | 36.8 | Very low | 78 Ų | 78 | 156.9 Ų | 156.9 | 80% | 0.804 | 85% | 0.854 | S | S | * | * | trans | 125 | 81.8 | 146.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 735 | S | 33 | Very low | 36.9 | Very low | 128 Ų | 128 | 151.9 Ų | 151.9 | 90% | 0.895 | 85% | 0.852 | S | S | * | * | trans | -62.9 | 134.3 | 158.1 | -172.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 736 | S | 40.6 | Very low | 36.9 | Very low | 118 Ų | 118 | 151.5 Ų | 151.5 | 83% | 0.825 | 85% | 0.848 | S | S | * | * | trans | -158.9 | 135.9 | 153.3 | 59 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 737 | R | 34.4 | Very low | 36.8 | Very low | 253 Ų | 253 | 150.5 Ų | 150.5 | 96% | 0.955 | 85% | 0.845 | S | S | * | * | trans | -75.9 | 144.6 | 178.4 | -70 | 164.6 | 153.5 | 161.5 | -6.9 | 110.9 | ||||
| 738 | G | 37.5 | Very low | 37.2 | Very low | 82 Ų | 82 | 150.1 Ų | 150.1 | 85% | 0.845 | 85% | 0.849 | S | S | * | * | trans | -147.4 | 109.1 | 166.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 739 | R | 37 | Very low | 37.1 | Very low | 255 Ų | 255 | 149.5 Ų | 149.5 | 96% | 0.962 | 85% | 0.848 | S | S | * | * | trans | -74.3 | 137.7 | -179.2 | -83.6 | 172.4 | 161.3 | 173.8 | -5.3 | 112.4 | ||||
| 740 | G | 35.6 | Very low | 37.2 | Very low | 72 Ų | 72 | 146.4 Ų | 146.4 | 74% | 0.742 | 85% | 0.847 | S | S | * | * | 85.9 | 119.8 | 119.8 | 0 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 741 | N | 39.2 | Very low | 36.8 | Very low | 175 Ų | 175 | 144.4 Ų | 144.4 | 94% | 0.936 | 85% | 0.846 | S | S | * | * | -157.4 | 137 | 110.8 | -121.7 | -11 | 0 | 0 | 0 | 113.4 | |||||
| 742 | K | 35.7 | Very low | 36.6 | Very low | 189 Ų | 189 | 148 Ų | 148 | 82% | 0.822 | 86% | 0.855 | S | S | * | * | trans | -83.2 | 145.8 | -179.2 | -69.6 | 170 | 172.6 | 173.1 | 0 | 110.9 | ||||
| 743 | R | 37.8 | Very low | 36.4 | Very low | 256 Ų | 256 | 151.4 Ų | 151.4 | 97% | 0.966 | 86% | 0.857 | S | S | * | * | trans | -142.6 | 134.6 | 133.9 | -81 | -163.8 | 170.3 | 177.6 | -3.8 | 110.1 | ||||
| 744 | R | 33.5 | Very low | 36.3 | Very low | 236 Ų | 236 | 152.8 Ų | 152.8 | 89% | 0.891 | 85% | 0.849 | S | S | * | * | trans | -135.2 | 126.7 | -164.9 | -164.7 | -171 | -160.8 | -168.7 | 5.3 | 107.2 | ||||
| 745 | V | 42.3 | Very low | 36.1 | Very low | 153 Ų | 153 | 156.3 Ų | 156.3 | 93% | 0.927 | 85% | 0.85 | S | S | * | * | trans | -154.6 | 120.6 | 160.6 | -174.5 | 0 | 0 | 0 | 0 | 103.4 | ||||
| 746 | G | 35.8 | Very low | 36 | Very low | 64 Ų | 64 | 157.3 Ų | 157.3 | 66% | 0.66 | 85% | 0.845 | S | S | * | * | cis | 141.2 | 114.4 | 9.7 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 747 | P | 37.7 | Very low | 35.7 | Very low | 131 Ų | 131 | 159.4 Ų | 159.4 | 85% | 0.851 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -103.4 | 144 | 176.4 | 34.7 | -25.9 | 0 | 0 | 0 | 111.8 | ||
| 748 | K | 43.1 | Very low | 35.5 | Very low | 208 Ų | 208 | 151.3 Ų | 151.3 | 90% | 0.904 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -97.4 | 148 | 170.2 | -88.2 | -174.3 | 175.6 | -180 | 0 | 110.9 | ||
| 749 | P | 36.8 | Very low | 35.3 | Very low | 132 Ų | 132 | 152.6 Ų | 152.6 | 86% | 0.857 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -102.1 | 162.1 | -177.1 | 39.3 | -32.1 | 0 | 0 | 0 | 113.3 | ||
| 750 | G | 37.1 | Very low | 35.3 | Very low | 67 Ų | 67 | 146.6 Ų | 146.6 | 69% | 0.691 | 82% | 0.816 | S | S | * | * | trans | 169.8 | 88.8 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 751 | S | 32.5 | Very low | 35.5 | Very low | 116 Ų | 116 | 152.3 Ų | 152.3 | 81% | 0.811 | 82% | 0.816 | S | S | * | * | 70.7 | 100.4 | 94 | 69 | 0 | 0 | 0 | 0 | 114 | |||||
| 752 | Q | 34.8 | Very low | 35.8 | Very low | 189 Ų | 189 | 146.7 Ų | 146.7 | 88% | 0.883 | 79% | 0.785 | S | S | * | * | -170.8 | 114.7 | 122.9 | -102 | 170.1 | 8 | 0 | 0 | 109.4 | |||||
| 753 | Q | 29.6 | Very low | 36.6 | Very low | 191 Ų | 191 | 143.5 Ų | 143.5 | 89% | 0.893 | 78% | 0.777 | S | S | * | * | trans | -73.6 | 123.5 | 163.6 | -78.6 | 167.4 | -45.5 | 0 | 0 | 108 | ||||
| 754 | T | 34.6 | Very low | 37.4 | Very low | 116 Ų | 116 | 132.5 Ų | 132.5 | 71% | 0.712 | 74% | 0.736 | S | S | * | * | trans | -127.3 | 111.8 | 154 | 51.1 | 0 | 0 | 0 | 0 | 106.9 | N756 | T754-N756 PolarHBondContact O-N 3.49Š| ||
| 755 | N | 29.2 | Very low | 38.7 | Very low | 152 Ų | 152 | 126 Ų | 126 | 81% | 0.813 | 72% | 0.719 | S | S | * | * | trans | -53.8 | 122.9 | 161.8 | -62.6 | -29.8 | 0 | 0 | 0 | 108.1 | ||||
| 756 | N | 32.2 | Very low | 39.6 | Very low | 149 Ų | 149 | 121.3 Ų | 121.3 | 80% | 0.797 | 69% | 0.687 | S | S | * | * | trans | -135.3 | 114.7 | 160.4 | -90.5 | -16.8 | 0 | 0 | 0 | 107 | T754 | T754-N756 PolarHBondContact O-N 3.49Š| ||
| 757 | D | 33 | Very low | 40.1 | Very low | 161 Ų | 161 | 127 Ų | 127 | 86% | 0.861 | 69% | 0.688 | S | S | * | * | trans | -52.6 | 138.3 | 173 | -65.2 | -57.7 | 0 | 0 | 0 | 110.8 | D759 | D757-D759 PolarHBondContact O-N 2.92Å; D757-D759 VanDerWaalsContact O-N 3.09Å | ||
| 758 | G | 29.9 | Very low | 40.7 | Very low | 83 Ų | 83 | 123.3 Ų | 123.3 | 86% | 0.856 | 66% | 0.657 | S | S | * | * | trans | -68.5 | 101.7 | -172.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 759 | D | 33.1 | Very low | 40.6 | Very low | 110 Ų | 110 | 122.8 Ų | 122.8 | 59% | 0.588 | 66% | 0.655 | S | S | * | * | trans | -96.9 | 98 | 162 | -159.3 | 19.9 | 0 | 0 | 0 | 106.6 | D757 R761 | D757-D759 PolarHBondContact O-N 2.92Å; D757-D759 VanDerWaalsContact O-N 3.09Å; D759-R761 PolarHBondContact O-N 3.47Å; D759-R761 IonicContact OD2-CZ 3.92Å; D759-R761 IonicContact OD2-NE 3.63Å; D759-R761 PolarHBondContact OD2-NE 3.05Å; D759-R761 IonicContact OD2-NH2 3.85Å; D759-R761 PolarHBondContact OD2-NH2 3.17Å | ||
| 760 | D | 38.1 | Very low | 40.8 | Very low | 128 Ų | 128 | 122.4 Ų | 122.4 | 68% | 0.684 | 64% | 0.636 | S | S | * | * | trans | -66.4 | 70.3 | 172.7 | -83 | -31.6 | 0 | 0 | 0 | 109.1 | N3 L762 | N3-D760 PolarHBondContact ND2-OD2 2.85Å; N3-D760 VanDerWaalsContact ND2-OD2 3.08Å; D760-L762 PolarHBondContact O-N 3.31Å | ||
| 761 | R | 38.7 | Very low | 40.5 | Very low | 193 Ų | 193 | 130.1 Ų | 130.1 | 73% | 0.728 | 65% | 0.645 | S | S | * | * | trans | -75.1 | 105 | 170.7 | -73.4 | -175.6 | -178 | -174.6 | -3.6 | 108.2 | D759 D763 | D759-R761 PolarHBondContact O-N 3.47Å; D759-R761 IonicContact OD2-CZ 3.92Å; D759-R761 IonicContact OD2-NE 3.63Å; D759-R761 PolarHBondContact OD2-NE 3.05Å; D759-R761 IonicContact OD2-NH2 3.85Å; D759-R761 PolarHBondContact OD2-NH2 3.17Å; R761-D763 PolarHBondContact O-N 2.94Å | ||
| 762 | L | 46.2 | Very low | 40.2 | Very low | 57 Ų | 57 | 133.6 Ų | 133.6 | 30% | 0.298 | 65% | 0.645 | S | S | . | * | trans | -53.3 | 109.9 | 156.4 | -69.8 | 168.2 | 0 | 0 | 0 | 107.1 | V10 D760 F764 | V10-L762 HydrophobicContact CG2-CD1 4.25Å; D760-L762 PolarHBondContact O-N 3.31Å; L762-F764 HydrophobicContact CB-CD2 4.19Å; L762-F764 HydrophobicContact CB-CE2 3.71Å; L762-F764 HydrophobicContact CB-CZ 4.26Å; L762-F764 HydrophobicContact CD1-CE2 4.38Å; L762-F764 HydrophobicContact CD1-CZ 4.32Å; L762-F764 WeakPolarHBondContact O-CD2 3.49Å; L762-F764 PolarHBondContact O-N 3.48Å | ||
| 763 | D | 51.8 | Low | 39.9 | Very low | 121 Ų | 121 | 131.1 Ų | 131.1 | 65% | 0.647 | 64% | 0.643 | S | S | * | * | trans | -67.9 | 105 | 175.6 | -141.8 | 5.6 | 0 | 0 | 0 | 106.9 | K293 R761 | K293-D763 PolarHBondContact NZ-O 3.09Å; R761-D763 PolarHBondContact O-N 2.94Å | ||
| 764 | F | 55.3 | Low | 39.8 | Very low | 25 Ų | 25 | 133.4 Ų | 133.4 | 11% | 0.11 | 65% | 0.653 | C | S | . | * | trans | -89.3 | 114.2 | 176 | -77.1 | -84.2 | 0 | 0 | 0 | 107.9 | V10 E286 R288 E291 K293 L762 | V10-F764 HydrophobicContact CG1-CZ 4.32Å; V10-F764 HydrophobicContact CG2-CZ 4.12Å; E286-F764 HydrophobicContact CB-CE1 4.37Å; R288-F764 HydrophobicContact CB-CE1 3.78Å; R288-F764 HydrophobicContact CB-CE2 3.93Å; R288-F764 HydrophobicContact CB-CZ 3.46Å; R288-F764 VanDerWaalsContact CB-CZ 3.46Å; R288-F764 HydrophobicContact CG-CE2 4.38Å; R288-F764 HydrophobicContact CG-CZ 4.32Å; E291-F764 HydrophobicContact CB-CB 4.02Å; E291-F764 HydrophobicContact CB-CD1 4.34Å; E291-F764 HydrophobicContact CB-CG 4.25Å; K293-F764 HydrophobicContact CB-CD1 4.01Å; K293-F764 HydrophobicContact CB-CE1 4.34Å; L762-F764 HydrophobicContact CB-CD2 4.19Å; L762-F764 HydrophobicContact CB-CE2 3.71Å; L762-F764 HydrophobicContact CB-CZ 4.26Å; L762-F764 HydrophobicContact CD1-CE2 4.38Å; L762-F764 HydrophobicContact CD1-CZ 4.32Å; L762-F764 WeakPolarHBondContact O-CD2 3.49Å; L762-F764 PolarHBondContact O-N 3.48Å | ||
| 765 | D | 61.2 | Low | 40.1 | Very low | 100 Ų | 100 | 134.3 Ų | 134.3 | 54% | 0.535 | 65% | 0.65 | S | S | . | * | trans | -77.8 | -23.5 | -167.7 | -63.7 | -44.8 | 0 | 0 | 0 | 113.6 | ||||
| 766 | F | 60.1 | Low | 40.6 | Very low | 55 Ų | 55 | 133.3 Ų | 133.3 | 24% | 0.241 | 64% | 0.642 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -125.4 | 115 | -168.3 | -57.5 | -73.9 | 0 | 0 | 0 | 112.8 | P251 Y260 E291 F292 | P251-F766 HydrophobicContact CG-CD2 4.22Å; P251-F766 HydrophobicContact CG-CE1 4.48Å; P251-F766 HydrophobicContact CG-CE2 3.52Å; P251-F766 HydrophobicContact CG-CZ 3.67Å; Y260-F766 AromaticContact CE1-CD1 3.68Å; Y260-F766 HydrophobicContact CE1-CD1 3.68Å; Y260-F766 AromaticContact CE1-CE1 3.99Å; Y260-F766 HydrophobicContact CE1-CE1 3.99Å; Y260-F766 HydrophobicContact CE1-CG 4.4Å; Y260-F766 HydrophobicContact CE2-CB 4.28Å; Y260-F766 HydrophobicContact CE2-CD1 4.43Å; Y260-F766 AromaticContact CZ-CD1 3.59Å; Y260-F766 WeakPolarHBondContact OH-CD1 3.26Å; E291-F766 WeakPolarHBondContact CA-O 3.31Å; F292-F766 HydrophobicContact CD1-CB 4.08Å; F292-F766 HydrophobicContact CE1-CB 3.59Å; F292-F766 HydrophobicContact CE1-CG 4.37Å; F292-F766 HydrophobicContact CE2-CB 4.37Å; F292-F766 HydrophobicContact CE2-CD2 4.1Å; F292-F766 HydrophobicContact CE2-CG 4.44Å; F292-F766 HydrophobicContact CZ-CB 3.74Å; F292-F766 HydrophobicContact CZ-CD2 4.14Å; F292-F766 HydrophobicContact CZ-CG 4.02Å; F292-F766 PolarHBondContact N-O 3.34Å |
| 767 | R | 47.6 | Very low | 41.1 | Very low | 182 Ų | 182 | 132.4 Ų | 132.4 | 69% | 0.687 | 63% | 0.633 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -118.7 | 129.9 | 168.6 | -170.6 | 179 | -178 | 157.9 | -1.9 | 109.8 | E291 K769 | E291-R767 HydrophobicContact CG-CB 4.15Å; E291-R767 HydrophobicContact CG-CG 4.12Å; E291-R767 WeakPolarHBondContact OE1-CD 3.14Å; E291-R767 IonicContact OE1-CZ 2.75Å; E291-R767 IonicContact OE1-NE 3.17Å; E291-R767 IonicContact OE1-NH1 2.79Å; R767-K769 PolarHBondContact O-N 3.19Å |
| 768 | R | 50.7 | Low | 41.6 | Very low | 54 Ų | 54 | 130.8 Ų | 130.8 | 20% | 0.204 | 62% | 0.62 | C | S | . | * | trans | -59.7 | 111.3 | 173.6 | -170.6 | 169.6 | -179.3 | 177.9 | 7.4 | 109.8 | D234 F235 D237 R770 | D234-R768 PolarHBondContact O-NH2 3.19Å; F235-R768 PolarHBondContact O-NH1 2.89Å; D237-R768 WeakPolarHBondContact OD1-CD 3.45Å; D237-R768 IonicContact OD1-CZ 3.22Å; D237-R768 IonicContact OD1-NE 2.59Å; D237-R768 IonicContact OD1-NH1 3.44Å; D237-R768 PolarHBondContact OD1-NH1 3.47Å; R768-R770 HydrophobicContact CG-CG 4.34Å; R768-R770 PolarHBondContact O-N 3.07Å | ||
| 769 | K | 40.2 | Very low | 42.3 | Very low | 197 Ų | 197 | 133.8 Ų | 133.8 | 86% | 0.857 | 61% | 0.605 | S | S | * | * | trans | -71.5 | 76.1 | 168.5 | -73.4 | -177.9 | -178.4 | 172.2 | 0 | 108.9 | R767 R771 | R767-K769 PolarHBondContact O-N 3.19Å; K769-R771 PolarHBondContact O-N 3.29Å | ||
| 770 | R | 41.1 | Very low | 42.9 | Very low | 125 Ų | 125 | 135.3 Ų | 135.3 | 47% | 0.472 | 61% | 0.606 | S | S | . | * | trans | -65.2 | 101 | 162 | -86 | -170.3 | 173.6 | -178.8 | 0.6 | 106.9 | D206 R768 K772 | D206-R770 IonicContact OD1-CZ 3.81Å; D206-R770 IonicContact OD1-NH1 2.61Å; D206-R770 PolarHBondContact OD1-NH1 2.72Å; D206-R770 IonicContact OD1-NH2 3.32Å; D206-R770 PolarHBondContact OD1-NH2 3.32Å; D206-R770 IonicContact OD2-NH1 3.59Å; R768-R770 HydrophobicContact CG-CG 4.34Å; R768-R770 PolarHBondContact O-N 3.07Å; R770-K772 PolarHBondContact O-N 3.32Å; R770-K772 VanDerWaalsContact O-N 3.1Å | ||
| 771 | R | 29.8 | Very low | 43.2 | Very low | 229 Ų | 229 | 135.9 Ų | 135.9 | 86% | 0.864 | 60% | 0.6 | S | S | * | * | trans | -59.8 | 113 | 158 | -85.1 | -176.7 | 169.8 | 172.3 | -2.5 | 105.7 | K769 V773 | K769-R771 PolarHBondContact O-N 3.29Å; R771-V773 VanDerWaalsContact C-N 3.3Å; R771-V773 PolarHBondContact O-N 2.87Å | ||
| 772 | K | 26.3 | Very low | 43.6 | Very low | 189 Ų | 189 | 131.5 Ų | 131.5 | 82% | 0.822 | 59% | 0.591 | S | S | * | * | trans | -57.7 | 104.2 | 156.1 | -89.7 | -176.2 | 171.4 | -175.3 | 0 | 105.4 | R770 E774 | R770-K772 PolarHBondContact O-N 3.32Å; R770-K772 VanDerWaalsContact O-N 3.1Å; K772-E774 PolarHBondContact O-N 3.33Å | ||
| 773 | V | 28.4 | Very low | 43.4 | Very low | 137 Ų | 137 | 137.7 Ų | 137.7 | 83% | 0.83 | 62% | 0.615 | S | S | * | * | trans | -80.1 | 103.1 | 157.1 | -178.5 | 0 | 0 | 0 | 0 | 103.4 | R771 | R771-V773 VanDerWaalsContact C-N 3.3Å; R771-V773 PolarHBondContact O-N 2.87Å | ||
| 774 | E | 28 | Very low | 42.6 | Very low | 238 Ų | 238 | 139.2 Ų | 139.2 | 100% | 1.112 | 61% | 0.612 | S | S | * | * | trans | -72 | 0 | 160.7 | -77.8 | -177.3 | 167.6 | 0 | 0 | 110.2 | K772 | K772-E774 PolarHBondContact O-N 3.33Š|
Retrieved 774 of 774 residues in 1464.1 ms
(Link to these results)