| 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 | 97.1 | Very high | 98.1 | Very high | 136 Ų | 136 | 74.4 Ų | 74.4 | 67% | 0.67 | 37% | 0.373 | S | S | * | . | 0 | 152.2 | 0 | 66.3 | -178.6 | -71.7 | 0 | 0 | 110 | I3 C12 V14 | M1-I3 HydrophobicContact CG-CD1 4.12Å; M1-I3 HydrophobicContact CG-CG1 4.09Å; M1-C12 PolarHBondContact N-O 2.81Å; M1-C12 WeakPolarHBondContact O-CB 3.11Å; M1-C12 PolarHBondContact O-N 2.68Å; M1-C12 VanDerWaalsContact O-O 3.14Å; M1-V14 HydrophobicContact CG-CG2 3.81Å; M1-V14 HydrophobicContact SD-CG2 3.85Å | |||
| 2 | P | 98.4 | Very high | 98.1 | Very high | 81 Ų | 81 | 68.2 Ų | 68.2 | 53% | 0.526 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 136.4 | 174.2 | 30.8 | -36.1 | 0 | 0 | 0 | 111.2 | Y10 F42 | P2-Y10 WeakPolarHBondContact CA-O 3.29Å; P2-F42 HydrophobicContact CB-CE1 3.64Å; P2-F42 HydrophobicContact CB-CZ 4.02Å |
| 3 | I | 98.6 | Very high | 98.1 | Very high | 12 Ų | 12 | 70.8 Ų | 70.8 | 6% | 0.062 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 137.2 | 178.5 | -66.4 | 178.1 | 0 | 0 | 0 | 110 | M1 Y10 C12 V14 I24 Y54 F71 | M1-I3 HydrophobicContact CG-CD1 4.12Å; M1-I3 HydrophobicContact CG-CG1 4.09Å; I3-Y10 PolarHBondContact N-O 3.2Å; I3-Y10 PolarHBondContact O-N 3.11Å; I3-C12 HydrophobicContact CB-CB 4.36Å; I3-C12 HydrophobicContact CD1-CB 3.92Å; I3-C12 HydrophobicContact CG1-CB 4.23Å; I3-V14 HydrophobicContact CD1-CG2 3.64Å; I3-I24 HydrophobicContact CD1-CD1 4.06Å; I3-I24 HydrophobicContact CD1-CG1 4.37Å; I3-I24 HydrophobicContact CD1-CG2 3.52Å; I3-Y54 HydrophobicContact CG2-CD2 4.27Å; I3-Y54 HydrophobicContact CG2-CE2 3.5Å; I3-F71 HydrophobicContact CG2-CE2 3.95Å |
| 4 | M | 98.4 | Very high | 98.1 | Very high | 87 Ų | 87 | 68.6 Ų | 68.6 | 43% | 0.429 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 113.4 | 174.1 | -67.7 | -69 | -61.8 | 0 | 0 | 109.2 | N7 V8 R9 Y54 | M4-N7 VanDerWaalsContact CE-C 3.5Å; M4-N7 WeakPolarHBondContact CE-O 3.41Å; M4-V8 CarbonylContact C-O 3.51Å; M4-V8 VanDerWaalsContact CA-O 3.31Å; M4-V8 WeakPolarHBondContact CA-O 3.4Å; M4-R9 VanDerWaalsContact SD-CA 3.53Å; M4-R9 HydrophobicContact SD-CB 3.37Å; M4-R9 WeakPolarHBondContact SD-CB 3.44Å; M4-R9 HydrophobicContact SD-CG 3.61Å; M4-Y54 WeakPolarHBondContact O-CE2 3.44Å |
| 5 | H | 98.2 | Very high | 98.2 | Very high | 7 Ų | 7 | 66 Ų | 66 | 3% | 0.032 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 127.9 | 175.2 | -179.9 | 50.2 | 0 | 0 | 0 | 109.6 | N7 V8 Y10 E52 E53 Y54 F71 | H5-N7 PolarHBondContact O-N 2.79Å; H5-V8 PolarHBondContact N-O 3.35Å; H5-V8 WeakPolarHBondContact O-CB 3.35Å; H5-V8 PolarHBondContact O-N 3Å; H5-Y10 HydrophobicContact CB-CD2 4.11Å; H5-Y10 HydrophobicContact CB-CE2 3.96Å; H5-E52 IonicContact CD2-OE2 3.96Å; H5-E52 PolarHBondContact CD2-OE2 3.17Å; H5-E52 IonicContact CE1-OE2 3.89Å; H5-E52 IonicContact NE2-OE2 2.71Å; H5-E52 PolarHBondContact NE2-OE2 2.9Å; H5-E53 PolarHBondContact CE1-O 2.9Å; H5-Y54 HydrophobicContact CB-CD2 4.05Å; H5-Y54 HydrophobicContact CB-CE2 4.31Å; H5-Y54 AromaticContact ND1-CD2 3.55Å; H5-F71 HydrophobicContact CB-CD1 4.39Å; H5-F71 HydrophobicContact CB-CD2 4.36Å; H5-F71 HydrophobicContact CB-CE1 3.96Å; H5-F71 HydrophobicContact CB-CE2 3.93Å; H5-F71 HydrophobicContact CB-CZ 3.72Å; H5-F71 AromaticContact CD2-CD1 3.55Å; H5-F71 AromaticContact CD2-CE1 3.66Å |
| 6 | H | 96.6 | Very high | 98.1 | Very high | 122 Ų | 122 | 71.3 Ų | 71.3 | 57% | 0.565 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.7 | 45.1 | -172.7 | -62 | 157 | 0 | 0 | 0 | 113.6 | V8 E52 | H6-V8 PolarHBondContact O-N 3.08Å; H6-E52 IonicContact CE1-OE1 3.73Å; H6-E52 IonicContact CE1-OE2 3.73Å; H6-E52 IonicContact ND1-OE1 3.87Å; H6-E52 IonicContact ND1-OE2 3.57Å |
| 7 | N | 97.3 | Very high | 98.1 | Very high | 154 Ų | 154 | 69.6 Ų | 69.6 | 82% | 0.824 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.3 | 15.2 | -175.6 | -67.1 | -40.5 | 0 | 0 | 0 | 116 | M4 H5 | M4-N7 VanDerWaalsContact CE-C 3.5Å; M4-N7 WeakPolarHBondContact CE-O 3.41Å; H5-N7 PolarHBondContact O-N 2.79Å |
| 8 | V | 98.3 | Very high | 98.1 | Very high | 47 Ų | 47 | 73.1 Ų | 73.1 | 29% | 0.285 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 132.4 | 174.8 | -178 | 0 | 0 | 0 | 0 | 109.9 | M4 H5 H6 Y10 S43 | M4-V8 CarbonylContact C-O 3.51Å; M4-V8 VanDerWaalsContact CA-O 3.31Å; M4-V8 WeakPolarHBondContact CA-O 3.4Å; H5-V8 PolarHBondContact N-O 3.35Å; H5-V8 WeakPolarHBondContact O-CB 3.35Å; H5-V8 PolarHBondContact O-N 3Å; H6-V8 PolarHBondContact O-N 3.08Å; V8-Y10 HydrophobicContact CB-CD2 4.43Å; V8-Y10 HydrophobicContact CB-CE2 3.59Å; V8-Y10 HydrophobicContact CG1-CD2 4.3Å; V8-Y10 HydrophobicContact CG1-CE1 4.02Å; V8-Y10 HydrophobicContact CG1-CE2 3.62Å; V8-Y10 VanDerWaalsContact CG1-CZ 3.45Å; V8-Y10 WeakPolarHBondContact CG1-OH 3.21Å; V8-Y10 WeakPolarHBondContact O-CD2 3.22Å; V8-Y10 WeakPolarHBondContact O-CE2 3.33Å; V8-S43 VanDerWaalsContact CG1-CB 3.44Å; V8-S43 WeakPolarHBondContact CG1-OG 3.38Å |
| 9 | R | 98.7 | Very high | 98.1 | Very high | 111 Ų | 111 | 79.8 Ų | 79.8 | 42% | 0.419 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 127.3 | 179.1 | -158.6 | -177.7 | -67.2 | 113.4 | -1.7 | 110.7 | M4 W41 F42 S43 | M4-R9 VanDerWaalsContact SD-CA 3.53Å; M4-R9 HydrophobicContact SD-CB 3.37Å; M4-R9 WeakPolarHBondContact SD-CB 3.44Å; M4-R9 HydrophobicContact SD-CG 3.61Å; R9-W41 WeakPolarHBondContact CD-O 3.36Å; R9-W41 PolarHBondContact NH1-O 3.46Å; R9-F42 HydrophobicContact CB-CD1 4.25Å; R9-F42 HydrophobicContact CG-CD1 3.67Å; R9-F42 HydrophobicContact CG-CE1 3.73Å; R9-F42 CarbonylContact O-C 3.51Å; R9-F42 WeakPolarHBondContact O-CA 3.41Å; R9-S43 PolarHBondContact O-N 2.75Å |
| 10 | Y | 98.8 | Very high | 98.1 | Very high | 25 Ų | 25 | 80.4 Ų | 80.4 | 10% | 0.098 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 146.6 | 176.9 | -61.4 | -85.1 | 0 | 0 | 0 | 111.1 | P2 I3 H5 V8 C12 P26 S43 W45 F71 | P2-Y10 WeakPolarHBondContact CA-O 3.29Å; I3-Y10 PolarHBondContact N-O 3.2Å; I3-Y10 PolarHBondContact O-N 3.11Å; H5-Y10 HydrophobicContact CB-CD2 4.11Å; H5-Y10 HydrophobicContact CB-CE2 3.96Å; V8-Y10 HydrophobicContact CB-CD2 4.43Å; V8-Y10 HydrophobicContact CB-CE2 3.59Å; V8-Y10 HydrophobicContact CG1-CD2 4.3Å; V8-Y10 HydrophobicContact CG1-CE1 4.02Å; V8-Y10 HydrophobicContact CG1-CE2 3.62Å; V8-Y10 VanDerWaalsContact CG1-CZ 3.45Å; V8-Y10 WeakPolarHBondContact CG1-OH 3.21Å; V8-Y10 WeakPolarHBondContact O-CD2 3.22Å; V8-Y10 WeakPolarHBondContact O-CE2 3.33Å; Y10-C12 WeakPolarHBondContact CB-SG 3.29Å; Y10-P26 HydrophobicContact CD1-CB 3.87Å; Y10-P26 HydrophobicContact CG-CB 3.96Å; Y10-S43 WeakPolarHBondContact CD1-O 3.48Å; Y10-W45 HydrophobicContact CE1-CB 4.41Å; Y10-W45 AromaticContact CE1-CE3 3.95Å; Y10-W45 HydrophobicContact CE1-CE3 3.95Å; Y10-F71 HydrophobicContact CD2-CE1 4.07Å; Y10-F71 AromaticContact CD2-CZ 3.55Å; Y10-F71 HydrophobicContact CD2-CZ 3.55Å; Y10-F71 HydrophobicContact CE2-CE1 4.17Å; Y10-F71 HydrophobicContact CE2-CZ 4.09Å; Y10-F71 HydrophobicContact CG-CE1 4.41Å; Y10-F71 AromaticContact CG-CZ 3.86Å; Y10-F71 HydrophobicContact CG-CZ 3.86Å |
| 11 | N | 98.6 | Very high | 98.1 | Very high | 36 Ų | 36 | 77.5 Ų | 77.5 | 19% | 0.193 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 110.8 | 165.5 | 179.3 | -3.8 | 0 | 0 | 0 | 107.5 | P26 K27 M30 F42 | N11-P26 CarbonylContact O-C 3.42Å; N11-K27 HydrophobicContact CB-CB 4.12Å; N11-K27 HydrophobicContact CB-CD 4.45Å; N11-K27 VanDerWaalsContact O-CB 3.28Å; N11-K27 WeakPolarHBondContact O-CB 3.38Å; N11-K27 PolarHBondContact O-N 3.16Å; N11-M30 HydrophobicContact CB-CE 4.44Å; N11-F42 HydrophobicContact CB-CD1 4.2Å; N11-F42 HydrophobicContact CB-CD2 4.24Å; N11-F42 HydrophobicContact CB-CE1 4.43Å; N11-F42 HydrophobicContact CB-CE2 4.47Å; N11-F42 HydrophobicContact CB-CG 4.1Å |
| 12 | C | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 153.2 | -168.9 | -61.1 | 0 | 0 | 0 | 0 | 114 | M1 I3 Y10 I24 R25 | M1-C12 PolarHBondContact N-O 2.81Å; M1-C12 WeakPolarHBondContact O-CB 3.11Å; M1-C12 PolarHBondContact O-N 2.68Å; M1-C12 VanDerWaalsContact O-O 3.14Å; I3-C12 HydrophobicContact CB-CB 4.36Å; I3-C12 HydrophobicContact CD1-CB 3.92Å; I3-C12 HydrophobicContact CG1-CB 4.23Å; Y10-C12 WeakPolarHBondContact CB-SG 3.29Å; C12-I24 HydrophobicContact CB-CG2 3.8Å; C12-R25 CarbonylContact C-O 3.6Å; C12-R25 WeakPolarHBondContact CA-O 3.27Å |
| 13 | R | 98.3 | Very high | 98.1 | Very high | 103 Ų | 103 | 68.8 Ų | 68.8 | 39% | 0.389 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 137.1 | 159 | -63.1 | -67.6 | -72.7 | 176.2 | 6 | 109 | L15 I24 R25 T85 I87 S112 | R13-L15 HydrophobicContact CB-CD1 4.05Å; R13-I24 CarbonylContact O-C 3.56Å; R13-I24 VanDerWaalsContact O-CA 3.31Å; R13-I24 WeakPolarHBondContact O-CA 3.29Å; R13-R25 HydrophobicContact CB-CB 4.41Å; R13-R25 PolarHBondContact N-O 3.37Å; R13-R25 PolarHBondContact O-N 2.92Å; R13-T85 HydrophobicContact CB-CG2 4.19Å; R13-T85 HydrophobicContact CG-CG2 3.82Å; R13-I87 HydrophobicContact CG-CD1 3.58Å; R13-I87 HydrophobicContact CG-CG1 3.81Å; R13-S112 WeakPolarHBondContact CD-OG 3.34Å; R13-S112 PolarHBondContact NE-OG 3.16Å; R13-S112 PolarHBondContact NH1-OG 3.15Å; R13-S112 VanDerWaalsContact NH1-OG 3.14Å |
| 14 | V | 98.4 | Very high | 98.1 | Very high | 39 Ų | 39 | 68.4 Ų | 68.4 | 24% | 0.236 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 112.8 | 174.2 | -177 | 0 | 0 | 0 | 0 | 106.5 | M1 I3 I21 I24 | M1-V14 HydrophobicContact CG-CG2 3.81Å; M1-V14 HydrophobicContact SD-CG2 3.85Å; I3-V14 HydrophobicContact CD1-CG2 3.64Å; V14-I21 HydrophobicContact CG1-CD1 4.32Å; V14-I21 HydrophobicContact CG1-CG1 4.16Å; V14-I21 HydrophobicContact CG1-CG2 4.01Å; V14-I24 HydrophobicContact CG1-CG1 4.46Å; V14-I24 HydrophobicContact CG2-CG1 4.33Å |
| 15 | L | 98.3 | Very high | 98.1 | Very high | 30 Ų | 30 | 64.3 Ų | 64.3 | 16% | 0.157 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 126.1 | 178.6 | -63.5 | 84.2 | 0 | 0 | 0 | 107.4 | R13 L22 L23 L76 | R13-L15 HydrophobicContact CB-CD1 4.05Å; L15-L22 PolarHBondContact O-N 2.85Å; L15-L23 HydrophobicContact CB-CB 4.43Å; L15-L23 HydrophobicContact CD1-CB 4.31Å; L15-L23 HydrophobicContact CD1-CD2 4.32Å; L15-L23 HydrophobicContact CD1-CG 4.25Å; L15-L23 PolarHBondContact N-O 2.81Å; L15-L23 PolarHBondContact O-N 2.98Å; L15-L76 HydrophobicContact CB-CD1 4.29Å; L15-L76 HydrophobicContact CD2-CD1 3.56Å; L15-L76 HydrophobicContact CD2-CG 4.15Å |
| 16 | F | 98 | Very high | 98.1 | Very high | 151 Ų | 151 | 64 Ų | 64 | 66% | 0.662 | 30% | 0.296 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 152.4 | -177.6 | 65.5 | -88.9 | 0 | 0 | 0 | 110.8 | K20 I21 | F16-K20 CarbonylContact C-O 3.52Å; F16-K20 WeakPolarHBondContact CA-O 3.44Å; F16-K20 VanDerWaalsContact CB-O 3.24Å; F16-K20 WeakPolarHBondContact CB-O 3.37Å; F16-I21 HydrophobicContact CB-CG1 4.23Å |
| 17 | L | 98.1 | Very high | 98.2 | Very high | 42 Ų | 42 | 58.2 Ų | 58.2 | 22% | 0.22 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 133.4 | 178.4 | 177.1 | 65.5 | 0 | 0 | 0 | 108.2 | R19 K20 L22 V215 F217 | L17-R19 PolarHBondContact O-N 3.33Å; L17-K20 PolarHBondContact N-O 3.46Å; L17-K20 PolarHBondContact O-N 3.2Å; L17-L22 HydrophobicContact CB-CD1 3.85Å; L17-L22 HydrophobicContact CB-CD2 4.47Å; L17-L22 HydrophobicContact CB-CG 4.3Å; L17-V215 HydrophobicContact CD2-CG1 3.94Å; L17-F217 HydrophobicContact CD1-CD2 4.43Å; L17-F217 HydrophobicContact CD1-CE2 4.34Å; L17-F217 HydrophobicContact CD2-CB 3.69Å; L17-F217 HydrophobicContact CD2-CD1 4.2Å; L17-F217 HydrophobicContact CD2-CD2 3.78Å; L17-F217 HydrophobicContact CD2-CE2 4.49Å; L17-F217 HydrophobicContact CD2-CG 3.62Å |
| 18 | N | 97.3 | Very high | 98.2 | Very high | 132 Ų | 132 | 52 Ų | 52 | 71% | 0.706 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 47.4 | 53 | 173.2 | -62.6 | -26.3 | 0 | 0 | 0 | 114.1 | K20 | N18-K20 PolarHBondContact O-N 3.23Š|
| 19 | R | 97.5 | Very high | 98 | Very high | 202 Ų | 202 | 52.3 Ų | 52.3 | 76% | 0.762 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.1 | 13.4 | -177.8 | -55 | -177.9 | 176.5 | -179.3 | -1.1 | 115.6 | L17 T64 | L17-R19 PolarHBondContact O-N 3.33Å; R19-T64 VanDerWaalsContact O-CA 3.29Å; R19-T64 WeakPolarHBondContact O-CA 3.5Å; R19-T64 VanDerWaalsContact O-CB 3.27Å; R19-T64 WeakPolarHBondContact O-CB 3.24Å; R19-T64 VanDerWaalsContact O-CG2 3.29Å; R19-T64 WeakPolarHBondContact O-CG2 3.46Å |
| 20 | K | 98.3 | Very high | 97.9 | Very high | 90 Ų | 90 | 48.1 Ų | 48.1 | 39% | 0.391 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 132.3 | 172.8 | -65.7 | -71.9 | -173.4 | 176.1 | 0 | 110.3 | F16 L17 N18 T64 G65 Q66 | F16-K20 CarbonylContact C-O 3.52Å; F16-K20 WeakPolarHBondContact CA-O 3.44Å; F16-K20 VanDerWaalsContact CB-O 3.24Å; F16-K20 WeakPolarHBondContact CB-O 3.37Å; L17-K20 PolarHBondContact N-O 3.46Å; L17-K20 PolarHBondContact O-N 3.2Å; N18-K20 PolarHBondContact O-N 3.23Å; K20-T64 VanDerWaalsContact CD-O 3.29Å; K20-T64 WeakPolarHBondContact CD-O 3.35Å; K20-T64 WeakPolarHBondContact CE-O 3.34Å; K20-T64 PolarHBondContact NZ-O 2.71Å; K20-G65 PolarHBondContact NZ-O 2.85Å; K20-G65 VanDerWaalsContact NZ-O 3.16Å; K20-Q66 VanDerWaalsContact CA-OE1 3.26Å; K20-Q66 HydrophobicContact CD-CG 3.59Å |
| 21 | I | 98.5 | Very high | 97.7 | Very high | 21 Ų | 21 | 47.3 Ų | 47.3 | 11% | 0.108 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 124.5 | 169.8 | -66.3 | 166.6 | 0 | 0 | 0 | 107.4 | V14 F16 I24 L56 I60 Q66 V69 | V14-I21 HydrophobicContact CG1-CD1 4.32Å; V14-I21 HydrophobicContact CG1-CG1 4.16Å; V14-I21 HydrophobicContact CG1-CG2 4.01Å; F16-I21 HydrophobicContact CB-CG1 4.23Å; I21-I24 HydrophobicContact CG2-CG1 4.16Å; I21-L56 HydrophobicContact CD1-CD1 4.3Å; I21-L56 HydrophobicContact CD1-CD2 3.65Å; I21-I60 HydrophobicContact CD1-CG2 3.68Å; I21-Q66 PolarHBondContact O-NE2 2.66Å; I21-V69 HydrophobicContact CB-CG1 3.83Å; I21-V69 HydrophobicContact CG2-CB 4.06Å; I21-V69 HydrophobicContact CG2-CG1 3.82Å; I21-V69 HydrophobicContact CG2-CG2 4.06Å |
| 22 | L | 98.3 | Very high | 97.6 | Very high | 33 Ų | 33 | 49.4 Ų | 49.4 | 17% | 0.173 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | -43.1 | -178.8 | -56.7 | 178.3 | 0 | 0 | 0 | 111.1 | L15 L17 L76 V215 | L15-L22 PolarHBondContact O-N 2.85Å; L17-L22 HydrophobicContact CB-CD1 3.85Å; L17-L22 HydrophobicContact CB-CD2 4.47Å; L17-L22 HydrophobicContact CB-CG 4.3Å; L22-L76 HydrophobicContact CB-CD2 4.15Å; L22-L76 HydrophobicContact CD1-CD1 4.02Å; L22-V215 HydrophobicContact CD1-CG1 3.92Å; L22-V215 HydrophobicContact CD1-CG2 3.99Å; L22-V215 HydrophobicContact CD2-CG1 4.29Å; L22-V215 HydrophobicContact CD2-CG2 4.45Å |
| 23 | L | 98.3 | Very high | 97.3 | Very high | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.6 | 138.5 | -173.9 | 171.1 | 58 | 0 | 0 | 0 | 111.3 | L15 R25 P70 C74 L76 | L15-L23 HydrophobicContact CB-CB 4.43Å; L15-L23 HydrophobicContact CD1-CB 4.31Å; L15-L23 HydrophobicContact CD1-CD2 4.32Å; L15-L23 HydrophobicContact CD1-CG 4.25Å; L15-L23 PolarHBondContact N-O 2.81Å; L15-L23 PolarHBondContact O-N 2.98Å; L23-R25 HydrophobicContact CD2-CB 4.24Å; L23-R25 HydrophobicContact CG-CB 4.26Å; L23-P70 HydrophobicContact CD1-CB 4.25Å; L23-C74 WeakPolarHBondContact CD1-SG 3.31Å; L23-C74 WeakPolarHBondContact CD2-SG 3.36Å; L23-L76 HydrophobicContact CB-CD2 4.09Å; L23-L76 HydrophobicContact CD2-CD2 4.32Å |
| 24 | I | 98.6 | Very high | 97.1 | Very high | 3 Ų | 3 | 50.2 Ų | 50.2 | 2% | 0.015 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 108.4 | 160.1 | -57.3 | 172.3 | 0 | 0 | 0 | 109.1 | I3 C12 R13 V14 I21 P26 Y54 V69 P70 F71 G72 | I3-I24 HydrophobicContact CD1-CD1 4.06Å; I3-I24 HydrophobicContact CD1-CG1 4.37Å; I3-I24 HydrophobicContact CD1-CG2 3.52Å; C12-I24 HydrophobicContact CB-CG2 3.8Å; R13-I24 CarbonylContact O-C 3.56Å; R13-I24 VanDerWaalsContact O-CA 3.31Å; R13-I24 WeakPolarHBondContact O-CA 3.29Å; V14-I24 HydrophobicContact CG1-CG1 4.46Å; V14-I24 HydrophobicContact CG2-CG1 4.33Å; I21-I24 HydrophobicContact CG2-CG1 4.16Å; I24-P26 VanDerWaalsContact O-CD 3.29Å; I24-P26 WeakPolarHBondContact O-CD 3.21Å; I24-Y54 HydrophobicContact CD1-CD1 3.44Å; I24-Y54 VanDerWaalsContact CD1-CD1 3.44Å; I24-Y54 HydrophobicContact CD1-CE1 3.83Å; I24-Y54 HydrophobicContact CD1-CG 3.98Å; I24-V69 HydrophobicContact CD1-CG2 3.5Å; I24-V69 HydrophobicContact CG1-CG2 3.98Å; I24-P70 PolarHBondContact N-O 2.57Å; I24-F71 HydrophobicContact CB-CD2 3.69Å; I24-F71 HydrophobicContact CB-CE2 4.34Å; I24-F71 HydrophobicContact CB-CG 4.45Å; I24-F71 HydrophobicContact CD1-CD2 4.4Å; I24-F71 HydrophobicContact CG2-CD2 3.35Å; I24-F71 HydrophobicContact CG2-CE2 3.49Å; I24-F71 VanDerWaalsContact CG2-CE2 3.49Å; I24-F71 HydrophobicContact CG2-CG 4.41Å; I24-F71 VanDerWaalsContact O-CA 3.29Å; I24-F71 WeakPolarHBondContact O-CA 3.28Å; I24-G72 PolarHBondContact O-N 2.96Å |
| 25 | R | 98.3 | Very high | 96.9 | Very high | 1 Ų | 1 | 49.2 Ų | 49.2 | 0% | 0.004 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 106.8 | 178.4 | 171.7 | 56.2 | 169.5 | 54 | 16.6 | 110.4 | C12 R13 L23 M28 G72 D73 T85 E90 | C12-R25 CarbonylContact C-O 3.6Å; C12-R25 WeakPolarHBondContact CA-O 3.27Å; R13-R25 HydrophobicContact CB-CB 4.41Å; R13-R25 PolarHBondContact N-O 3.37Å; R13-R25 PolarHBondContact O-N 2.92Å; L23-R25 HydrophobicContact CD2-CB 4.24Å; L23-R25 HydrophobicContact CG-CB 4.26Å; R25-M28 PolarHBondContact NH2-SD 2.94Å; R25-G72 WeakPolarHBondContact CD-O 3.34Å; R25-D73 IonicContact NE-OD1 3.57Å; R25-D73 PolarHBondContact NE-OD1 3.15Å; R25-D73 IonicContact NH2-OD1 3.12Å; R25-T85 HydrophobicContact CG-CG2 4.42Å; R25-T85 PolarHBondContact NH2-O 3.09Å; R25-E90 IonicContact CZ-OE1 3.97Å; R25-E90 IonicContact CZ-OE2 3.35Å; R25-E90 IonicContact NH1-OE1 2.77Å; R25-E90 PolarHBondContact NH1-OE1 3.19Å; R25-E90 IonicContact NH1-OE2 3.33Å; R25-E90 IonicContact NH2-OE1 3.17Å; R25-E90 IonicContact NH2-OE2 2.57Å; R25-E90 PolarHBondContact NH2-OE2 3.34Å |
| 26 | P | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 143.5 | 173.4 | 32.3 | -37.4 | 0 | 0 | 0 | 111.7 | Y10 N11 I24 W45 F71 | Y10-P26 HydrophobicContact CD1-CB 3.87Å; Y10-P26 HydrophobicContact CG-CB 3.96Å; N11-P26 CarbonylContact O-C 3.42Å; I24-P26 VanDerWaalsContact O-CD 3.29Å; I24-P26 WeakPolarHBondContact O-CD 3.21Å; P26-W45 HydrophobicContact CB-CB 3.9Å; P26-W45 HydrophobicContact CB-CG 4.42Å; P26-W45 HydrophobicContact CG-CB 3.53Å; P26-W45 HydrophobicContact CG-CD2 3.67Å; P26-W45 HydrophobicContact CG-CE3 3.89Å; P26-W45 HydrophobicContact CG-CG 3.54Å; P26-F71 HydrophobicContact CB-CE1 3.93Å; P26-F71 HydrophobicContact CB-CZ 3.75Å; P26-F71 HydrophobicContact CG-CD1 4.19Å; P26-F71 HydrophobicContact CG-CE1 3.59Å; P26-F71 HydrophobicContact CG-CZ 3.91Å |
| 27 | K | 98.1 | Very high | 96.8 | Very high | 1 Ų | 1 | 46 Ų | 46 | 0% | 0.004 | 23% | 0.233 | C | C | . | . | trans | -62.6 | 135 | 174.4 | -167 | 173.7 | -162.3 | -163.3 | 0 | 111 | N11 L29 M30 E38 W45 I87 E90 | N11-K27 HydrophobicContact CB-CB 4.12Å; N11-K27 HydrophobicContact CB-CD 4.45Å; N11-K27 VanDerWaalsContact O-CB 3.28Å; N11-K27 WeakPolarHBondContact O-CB 3.38Å; N11-K27 PolarHBondContact O-N 3.16Å; K27-L29 WeakPolarHBondContact CE-O 3.39Å; K27-L29 WeakPolarHBondContact CG-O 3.29Å; K27-M30 HydrophobicContact CB-CE 4.4Å; K27-M30 HydrophobicContact CB-SD 4.42Å; K27-M30 HydrophobicContact CD-SD 3.9Å; K27-M30 HydrophobicContact CG-SD 4.23Å; K27-E38 IonicContact NZ-OE1 2.65Å; K27-E38 PolarHBondContact NZ-OE1 3.24Å; K27-E38 IonicContact NZ-OE2 2.66Å; K27-E38 PolarHBondContact NZ-OE2 2.99Å; K27-W45 PolarHBondContact O-N 2.85Å; K27-I87 HydrophobicContact CB-CB 4.44Å; K27-I87 HydrophobicContact CB-CD1 3.9Å; K27-I87 HydrophobicContact CB-CG2 4.44Å; K27-I87 HydrophobicContact CD-CB 4.2Å; K27-I87 HydrophobicContact CD-CG2 3.76Å; K27-I87 WeakPolarHBondContact CE-O 3.44Å; K27-I87 HydrophobicContact CG-CB 3.99Å; K27-I87 HydrophobicContact CG-CD1 4.38Å; K27-I87 HydrophobicContact CG-CG2 4.07Å; K27-E90 WeakPolarHBondContact CA-OE1 3.48Å | ||
| 28 | M | 96.6 | Very high | 96.8 | Very high | 25 Ų | 25 | 45.4 Ų | 45.4 | 12% | 0.123 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -102.5 | -30 | -174.6 | -69.7 | 167 | 40.9 | 0 | 0 | 112 | R25 P44 W45 L48 D73 E90 | R25-M28 PolarHBondContact NH2-SD 2.94Å; M28-P44 WeakPolarHBondContact O-CB 3.47Å; M28-W45 HydrophobicContact CG-CB 3.89Å; M28-W45 HydrophobicContact CG-CG 4.36Å; M28-L48 HydrophobicContact CE-CD2 3.22Å; M28-L48 HydrophobicContact SD-CD2 4.44Å; M28-D73 HydrophobicContact SD-CB 3.74Å; M28-D73 VanDerWaalsContact SD-CG 3.51Å; M28-E90 PolarHBondContact N-OE1 2.81Å |
| 29 | L | 95.5 | Very high | 96.8 | Very high | 52 Ų | 52 | 44.3 Ų | 44.3 | 27% | 0.272 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -121.7 | 119.6 | 179.4 | -60.6 | 169.1 | 0 | 0 | 0 | 110.1 | K27 E90 N93 | K27-L29 WeakPolarHBondContact CE-O 3.39Å; K27-L29 WeakPolarHBondContact CG-O 3.29Å; L29-E90 HydrophobicContact CB-CG 3.81Å; L29-E90 HydrophobicContact CD1-CB 4.48Å; L29-E90 HydrophobicContact CD1-CG 4.18Å; L29-E90 HydrophobicContact CG-CG 4.23Å; L29-N93 HydrophobicContact CD1-CB 3.59Å |
| 30 | M | 95.7 | Very high | 96.8 | Very high | 23 Ų | 23 | 43.8 Ų | 43.8 | 11% | 0.113 | 22% | 0.219 | C | C | . | . | trans | -95.7 | 139.6 | -174.3 | -66.7 | -61.4 | -168 | 0 | 0 | 112 | N11 K27 N32 E38 M39 F42 S43 P44 | N11-M30 HydrophobicContact CB-CE 4.44Å; K27-M30 HydrophobicContact CB-CE 4.4Å; K27-M30 HydrophobicContact CB-SD 4.42Å; K27-M30 HydrophobicContact CD-SD 3.9Å; K27-M30 HydrophobicContact CG-SD 4.23Å; M30-N32 PolarHBondContact O-N 3.47Å; M30-E38 VanDerWaalsContact CA-OE2 3.3Å; M30-E38 WeakPolarHBondContact CA-OE2 3.48Å; M30-E38 HydrophobicContact CB-CB 4.13Å; M30-E38 HydrophobicContact CG-CB 4.42Å; M30-E38 HydrophobicContact SD-CB 3.85Å; M30-E38 VanDerWaalsContact SD-OE2 3.34Å; M30-M39 HydrophobicContact CB-CE 3.94Å; M30-M39 HydrophobicContact CB-CG 3.84Å; M30-M39 HydrophobicContact CG-CG 4.25Å; M30-F42 HydrophobicContact CE-CB 3.32Å; M30-F42 HydrophobicContact CE-CG 4.38Å; M30-F42 HydrophobicContact SD-CB 4.35Å; M30-S43 VanDerWaalsContact CE-C 3.42Å; M30-S43 WeakPolarHBondContact CE-O 3.29Å; M30-P44 HydrophobicContact CG-CB 4.16Å | ||
| 31 | A | 95.1 | Very high | 96.8 | Very high | 8 Ų | 8 | 46.1 Ų | 46.1 | 7% | 0.066 | 23% | 0.225 | C | C | . | . | trans | -80.4 | 115.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | Y36 E38 A89 | A31-Y36 HydrophobicContact CB-CD1 4.39Å; A31-Y36 HydrophobicContact CB-CD2 4.14Å; A31-Y36 HydrophobicContact CB-CG 3.82Å; A31-Y36 CarbonylContact O-C 3.41Å; A31-Y36 WeakPolarHBondContact O-CB 3.5Å; A31-E38 HydrophobicContact CB-CG 4.41Å; A31-E38 PolarHBondContact N-OE2 2.86Å; A31-E38 WeakPolarHBondContact O-CB 3.31Å; A31-E38 PolarHBondContact O-N 2.91Å; A31-A89 HydrophobicContact CB-CB 4.05Å | ||
| 32 | N | 95.2 | Very high | 96.8 | Very high | 81 Ų | 81 | 47.1 Ų | 47.1 | 43% | 0.433 | 23% | 0.229 | S | C | . | . | trans | -137.1 | 32.4 | -176.7 | -152.3 | 76.1 | 0 | 0 | 0 | 112.8 | M30 Y36 R37 M39 | M30-N32 PolarHBondContact O-N 3.47Å; N32-Y36 CarbonylContact C-O 3.48Å; N32-Y36 VanDerWaalsContact CA-O 3.29Å; N32-Y36 WeakPolarHBondContact CA-O 3.46Å; N32-R37 WeakPolarHBondContact OD1-CA 3.39Å; N32-M39 HydrophobicContact CB-CG 4.32Å; N32-M39 HydrophobicContact CB-SD 4.36Å; N32-M39 WeakPolarHBondContact OD1-CB 2.85Å; N32-M39 PolarHBondContact OD1-N 2.89Å | ||
| 33 | S | 92 | Very high | 96.8 | Very high | 87 Ų | 87 | 48 Ų | 48 | 61% | 0.608 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -128.4 | 153.7 | 179.5 | 63.7 | 0 | 0 | 0 | 0 | 111.6 | T35 Y36 | S33-T35 PolarHBondContact O-N 2.86Å; S33-Y36 PolarHBondContact N-O 3.33Å; S33-Y36 PolarHBondContact O-N 2.87Å |
| 34 | G | 94 | Very high | 96.8 | Very high | 33 Ų | 33 | 50 Ų | 50 | 34% | 0.34 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.7 | -120.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 35 | T | 95.2 | Very high | 96.7 | Very high | 17 Ų | 17 | 50 Ų | 50 | 10% | 0.104 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -25.1 | 177.2 | -54.2 | 0 | 0 | 0 | 0 | 112.9 | S33 L153 R580 F581 | S33-T35 PolarHBondContact O-N 2.86Å; T35-L153 HydrophobicContact CG2-CD1 3.63Å; T35-L153 HydrophobicContact CG2-CD2 4.02Å; T35-L153 HydrophobicContact CG2-CG 4.15Å; T35-R580 HydrophobicContact CG2-CB 4.13Å; T35-F581 WeakPolarHBondContact OG1-CD2 3.46Å |
| 36 | Y | 96.8 | Very high | 96.6 | Very high | 41 Ų | 41 | 55.2 Ų | 55.2 | 16% | 0.161 | 28% | 0.282 | C | S | . | . | trans | -78.2 | 136 | -175.9 | -57 | -70.3 | 0 | 0 | 0 | 112.1 | A31 N32 S33 A114 S115 H116 | A31-Y36 HydrophobicContact CB-CD1 4.39Å; A31-Y36 HydrophobicContact CB-CD2 4.14Å; A31-Y36 HydrophobicContact CB-CG 3.82Å; A31-Y36 CarbonylContact O-C 3.41Å; A31-Y36 WeakPolarHBondContact O-CB 3.5Å; N32-Y36 CarbonylContact C-O 3.48Å; N32-Y36 VanDerWaalsContact CA-O 3.29Å; N32-Y36 WeakPolarHBondContact CA-O 3.46Å; S33-Y36 PolarHBondContact N-O 3.33Å; S33-Y36 PolarHBondContact O-N 2.87Å; Y36-A114 WeakPolarHBondContact CE1-O 3.31Å; Y36-A114 PolarHBondContact OH-O 3.45Å; Y36-S115 WeakPolarHBondContact OH-CA 3.14Å; Y36-H116 AromaticContact CE1-ND1 3.87Å; Y36-H116 AromaticContact CE2-CE1 3.46Å; Y36-H116 VanDerWaalsContact CE2-CE1 3.46Å; Y36-H116 WeakPolarHBondContact CE2-CE1 3.24Å; Y36-H116 AromaticContact CE2-ND1 3.63Å; Y36-H116 AromaticContact CZ-CE1 3.54Å; Y36-H116 AromaticContact CZ-ND1 3.17Å; Y36-H116 PolarHBondContact OH-CE1 2.98Å; Y36-H116 PolarHBondContact OH-N 3.07Å; Y36-H116 PolarHBondContact OH-ND1 2.8Å | ||
| 37 | R | 96.7 | Very high | 96.4 | Very high | 74 Ų | 74 | 60.4 Ų | 60.4 | 28% | 0.279 | 30% | 0.302 | S | S | . | . | trans | -144.2 | 46.6 | 178 | -58.1 | -171.6 | -170.4 | -175 | 8.1 | 111.7 | N32 M39 R40 W41 R580 L583 | N32-R37 WeakPolarHBondContact OD1-CA 3.39Å; R37-M39 PolarHBondContact O-N 3.23Å; R37-M39 VanDerWaalsContact O-N 3.15Å; R37-R40 HydrophobicContact CB-CB 4.46Å; R37-R40 WeakPolarHBondContact O-CB 3.32Å; R37-R40 PolarHBondContact O-N 3.17Å; R37-W41 WeakPolarHBondContact O-CZ3 3.39Å; R37-R580 PolarHBondContact NH2-O 2.96Å; R37-L583 VanDerWaalsContact CZ-CD1 3.45Å; R37-L583 VanDerWaalsContact NH1-CD1 3.29Å | ||
| 38 | E | 98 | Very high | 96.1 | Very high | 29 Ų | 29 | 65.1 Ų | 65.1 | 14% | 0.136 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -56.8 | -34.4 | -173.3 | -69.4 | -175.2 | 144.8 | 0 | 0 | 112.6 | K27 M30 A31 R40 W41 F42 | K27-E38 IonicContact NZ-OE1 2.65Å; K27-E38 PolarHBondContact NZ-OE1 3.24Å; K27-E38 IonicContact NZ-OE2 2.66Å; K27-E38 PolarHBondContact NZ-OE2 2.99Å; M30-E38 VanDerWaalsContact CA-OE2 3.3Å; M30-E38 WeakPolarHBondContact CA-OE2 3.48Å; M30-E38 HydrophobicContact CB-CB 4.13Å; M30-E38 HydrophobicContact CG-CB 4.42Å; M30-E38 HydrophobicContact SD-CB 3.85Å; M30-E38 VanDerWaalsContact SD-OE2 3.34Å; A31-E38 HydrophobicContact CB-CG 4.41Å; A31-E38 PolarHBondContact N-OE2 2.86Å; A31-E38 WeakPolarHBondContact O-CB 3.31Å; A31-E38 PolarHBondContact O-N 2.91Å; E38-R40 PolarHBondContact O-N 3.22Å; E38-R40 VanDerWaalsContact O-N 3.09Å; E38-W41 PolarHBondContact O-N 2.98Å; E38-F42 PolarHBondContact O-N 2.84Å |
| 39 | M | 97.6 | Very high | 95.7 | Very high | 109 Ų | 109 | 65.3 Ų | 65.3 | 54% | 0.537 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -64.9 | -13.1 | 178.6 | -63.5 | -174 | 177.1 | 0 | 0 | 113.8 | M30 N32 R37 W41 F42 | M30-M39 HydrophobicContact CB-CE 3.94Å; M30-M39 HydrophobicContact CB-CG 3.84Å; M30-M39 HydrophobicContact CG-CG 4.25Å; N32-M39 HydrophobicContact CB-CG 4.32Å; N32-M39 HydrophobicContact CB-SD 4.36Å; N32-M39 WeakPolarHBondContact OD1-CB 2.85Å; N32-M39 PolarHBondContact OD1-N 2.89Å; R37-M39 PolarHBondContact O-N 3.23Å; R37-M39 VanDerWaalsContact O-N 3.15Å; M39-W41 PolarHBondContact O-N 2.81Å; M39-F42 WeakPolarHBondContact CA-O 3.16Å |
| 40 | R | 98.1 | Very high | 95.6 | Very high | 190 Ų | 190 | 67.2 Ų | 67.2 | 72% | 0.717 | 33% | 0.334 | S | S | * | . | G | 310 helix | trans | -64.4 | -30.8 | 169.7 | -178.3 | 176.5 | 175.2 | 89 | -0.3 | 111.9 | R37 E38 | R37-R40 HydrophobicContact CB-CB 4.46Å; R37-R40 WeakPolarHBondContact O-CB 3.32Å; R37-R40 PolarHBondContact O-N 3.17Å; E38-R40 PolarHBondContact O-N 3.22Å; E38-R40 VanDerWaalsContact O-N 3.09Å |
| 41 | W | 98.2 | Very high | 95.6 | Very high | 140 Ų | 140 | 68.2 Ų | 68.2 | 53% | 0.53 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.1 | -28.2 | -171.7 | -56.8 | -73.4 | 0 | 0 | 0 | 114 | R9 R37 E38 M39 | R9-W41 WeakPolarHBondContact CD-O 3.36Å; R9-W41 PolarHBondContact NH1-O 3.46Å; R37-W41 WeakPolarHBondContact O-CZ3 3.39Å; E38-W41 PolarHBondContact O-N 2.98Å; M39-W41 PolarHBondContact O-N 2.81Å |
| 42 | F | 98.6 | Very high | 95.7 | Very high | 41 Ų | 41 | 69.8 Ų | 69.8 | 18% | 0.18 | 35% | 0.347 | C | S | . | . | trans | -126.9 | 149.7 | -170.9 | -57.8 | -71.6 | 0 | 0 | 0 | 112.1 | P2 R9 N11 M30 E38 M39 | P2-F42 HydrophobicContact CB-CE1 3.64Å; P2-F42 HydrophobicContact CB-CZ 4.02Å; R9-F42 HydrophobicContact CB-CD1 4.25Å; R9-F42 HydrophobicContact CG-CD1 3.67Å; R9-F42 HydrophobicContact CG-CE1 3.73Å; R9-F42 CarbonylContact O-C 3.51Å; R9-F42 WeakPolarHBondContact O-CA 3.41Å; N11-F42 HydrophobicContact CB-CD1 4.2Å; N11-F42 HydrophobicContact CB-CD2 4.24Å; N11-F42 HydrophobicContact CB-CE1 4.43Å; N11-F42 HydrophobicContact CB-CE2 4.47Å; N11-F42 HydrophobicContact CB-CG 4.1Å; M30-F42 HydrophobicContact CE-CB 3.32Å; M30-F42 HydrophobicContact CE-CG 4.38Å; M30-F42 HydrophobicContact SD-CB 4.35Å; E38-F42 PolarHBondContact O-N 2.84Å; M39-F42 WeakPolarHBondContact CA-O 3.16Å | ||
| 43 | S | 98.3 | Very high | 95.9 | Very high | 53 Ų | 53 | 72 Ų | 72 | 37% | 0.371 | 36% | 0.355 | S | S | . | . | P | Polyproline II helix | trans | -99.1 | 141 | 169.2 | -62 | 0 | 0 | 0 | 0 | 110.5 | V8 R9 Y10 M30 | V8-S43 VanDerWaalsContact CG1-CB 3.44Å; V8-S43 WeakPolarHBondContact CG1-OG 3.38Å; R9-S43 PolarHBondContact O-N 2.75Å; Y10-S43 WeakPolarHBondContact CD1-O 3.48Å; M30-S43 VanDerWaalsContact CE-C 3.42Å; M30-S43 WeakPolarHBondContact CE-O 3.29Å |
| 44 | P | 97.8 | Very high | 96.2 | Very high | 41 Ų | 41 | 69.3 Ų | 69.3 | 27% | 0.266 | 33% | 0.331 | S | S | . | . | P | Polyproline II helix | trans | -65.9 | 144.8 | 168.3 | 28.1 | -32.7 | 0 | 0 | 0 | 110.3 | M28 M30 T46 | M28-P44 WeakPolarHBondContact O-CB 3.47Å; M30-P44 HydrophobicContact CG-CB 4.16Å; P44-T46 PolarHBondContact O-N 2.9Å |
| 45 | W | 97.7 | Very high | 96.4 | Very high | 5 Ų | 5 | 74.6 Ų | 74.6 | 2% | 0.019 | 35% | 0.345 | C | S | . | . | P | Polyproline II helix | trans | -72.4 | 122.9 | 165 | -179.6 | -102.4 | 0 | 0 | 0 | 110.5 | Y10 P26 K27 M28 R47 E52 F71 | Y10-W45 HydrophobicContact CE1-CB 4.41Å; Y10-W45 AromaticContact CE1-CE3 3.95Å; Y10-W45 HydrophobicContact CE1-CE3 3.95Å; P26-W45 HydrophobicContact CB-CB 3.9Å; P26-W45 HydrophobicContact CB-CG 4.42Å; P26-W45 HydrophobicContact CG-CB 3.53Å; P26-W45 HydrophobicContact CG-CD2 3.67Å; P26-W45 HydrophobicContact CG-CE3 3.89Å; P26-W45 HydrophobicContact CG-CG 3.54Å; K27-W45 PolarHBondContact O-N 2.85Å; M28-W45 HydrophobicContact CG-CB 3.89Å; M28-W45 HydrophobicContact CG-CG 4.36Å; W45-R47 HydrophobicContact CH2-CB 4.41Å; W45-R47 HydrophobicContact CZ2-CB 3.68Å; W45-R47 HydrophobicContact CZ2-CG 4.3Å; W45-R47 PolarHBondContact NE1-O 3.3Å; W45-E52 HydrophobicContact CH2-CG 4.05Å; W45-F71 HydrophobicContact CE3-CD1 4.29Å; W45-F71 AromaticContact CE3-CE1 3.76Å; W45-F71 HydrophobicContact CE3-CE1 3.76Å; W45-F71 HydrophobicContact CH2-CD1 4.12Å; W45-F71 HydrophobicContact CH2-CE1 4.38Å; W45-F71 AromaticContact CZ3-CD1 3.81Å; W45-F71 HydrophobicContact CZ3-CD1 3.81Å; W45-F71 AromaticContact CZ3-CE1 3.62Å; W45-F71 HydrophobicContact CZ3-CE1 3.62Å |
| 46 | T | 96.1 | Very high | 96.6 | Very high | 109 Ų | 109 | 74.2 Ų | 74.2 | 67% | 0.669 | 34% | 0.342 | S | S | * | . | trans | -105.4 | -11.5 | -173.9 | 54.3 | 0 | 0 | 0 | 0 | 113.9 | P44 L48 | P44-T46 PolarHBondContact O-N 2.9Å; T46-L48 PolarHBondContact O-N 3.49Å; T46-L48 VanDerWaalsContact O-N 3.14Å | ||
| 47 | R | 93.6 | Very high | 96.6 | Very high | 109 Ų | 109 | 75.1 Ų | 75.1 | 41% | 0.411 | 35% | 0.353 | S | S | . | . | trans | -91.2 | 73.6 | -177 | -53.2 | -176.1 | -169.9 | -179.7 | 13.7 | 110.4 | W45 Q50 E52 | W45-R47 HydrophobicContact CH2-CB 4.41Å; W45-R47 HydrophobicContact CZ2-CB 3.68Å; W45-R47 HydrophobicContact CZ2-CG 4.3Å; W45-R47 PolarHBondContact NE1-O 3.3Å; R47-Q50 HydrophobicContact CB-CB 4Å; R47-Q50 HydrophobicContact CB-CG 4.46Å; R47-Q50 WeakPolarHBondContact O-CB 3.16Å; R47-Q50 PolarHBondContact O-N 2.79Å; R47-E52 IonicContact CZ-OE1 3.09Å; R47-E52 VanDerWaalsContact NH1-CD 3.31Å; R47-E52 IonicContact NH1-OE1 2.69Å; R47-E52 PolarHBondContact NH1-OE1 2.86Å; R47-E52 IonicContact NH1-OE2 3.62Å; R47-E52 IonicContact NH2-OE1 3.59Å | ||
| 48 | L | 91.2 | Very high | 96.7 | Very high | 101 Ų | 101 | 81.1 Ų | 81.1 | 53% | 0.529 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | 138.6 | -178.2 | -47 | -178.2 | 0 | 0 | 0 | 110.7 | M28 T46 Q50 | M28-L48 HydrophobicContact CE-CD2 3.22Å; M28-L48 HydrophobicContact SD-CD2 4.44Å; T46-L48 PolarHBondContact O-N 3.49Å; T46-L48 VanDerWaalsContact O-N 3.14Å; L48-Q50 PolarHBondContact O-N 2.86Å |
| 49 | R | 89 | Confident | 96.7 | Very high | 29 Ų | 29 | 86 Ų | 86 | 11% | 0.109 | 40% | 0.4 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 57 | 25.6 | -179.5 | -48.4 | -56.5 | -166.5 | -160 | 23.8 | 114.9 | D73 D104 C210 | R49-D73 WeakPolarHBondContact CD-OD2 3.45Å; R49-D73 PolarHBondContact N-OD2 2.75Å; R49-D73 IonicContact NH1-OD1 3.94Å; R49-D73 IonicContact NH1-OD2 3.98Å; R49-D73 PolarHBondContact NH1-OD2 3.21Å; R49-D104 IonicContact NH2-OD2 3.98Å; R49-C210 PolarHBondContact NH1-SG 2.85Å; R49-C210 PolarHBondContact NH2-SG 3.04Å |
| 50 | Q | 93.4 | Very high | 96.7 | Very high | 91 Ų | 91 | 83.3 Ų | 83.3 | 43% | 0.425 | 39% | 0.388 | S | S | . | . | trans | -126.3 | 148.6 | 178.1 | -62.2 | 178 | 26.3 | 0 | 0 | 110.6 | R47 L48 G72 D73 | R47-Q50 HydrophobicContact CB-CB 4Å; R47-Q50 HydrophobicContact CB-CG 4.46Å; R47-Q50 WeakPolarHBondContact O-CB 3.16Å; R47-Q50 PolarHBondContact O-N 2.79Å; L48-Q50 PolarHBondContact O-N 2.86Å; Q50-G72 WeakPolarHBondContact O-CA 3.44Å; Q50-D73 PolarHBondContact O-N 2.66Å | ||
| 51 | V | 95.9 | Very high | 96.8 | Very high | 45 Ų | 45 | 76.8 Ų | 76.8 | 27% | 0.273 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 146.3 | 174.5 | -64.6 | 0 | 0 | 0 | 0 | 109.4 | F71 C74 H211 | V51-F71 CarbonylContact C-O 3.56Å; V51-F71 WeakPolarHBondContact CA-O 3.23Å; V51-C74 HydrophobicContact CG1-CB 3.64Å; V51-H211 HydrophobicContact CG1-CB 4.43Å |
| 52 | E | 97.7 | Very high | 96.8 | Very high | 41 Ų | 41 | 77.6 Ų | 77.6 | 19% | 0.192 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 163.2 | 168.4 | -66.9 | -172.9 | 129.3 | 0 | 0 | 109.4 | H5 H6 W45 R47 F71 | H5-E52 IonicContact CD2-OE2 3.96Å; H5-E52 PolarHBondContact CD2-OE2 3.17Å; H5-E52 IonicContact CE1-OE2 3.89Å; H5-E52 IonicContact NE2-OE2 2.71Å; H5-E52 PolarHBondContact NE2-OE2 2.9Å; H6-E52 IonicContact CE1-OE1 3.73Å; H6-E52 IonicContact CE1-OE2 3.73Å; H6-E52 IonicContact ND1-OE1 3.87Å; H6-E52 IonicContact ND1-OE2 3.57Å; W45-E52 HydrophobicContact CH2-CG 4.05Å; R47-E52 IonicContact CZ-OE1 3.09Å; R47-E52 VanDerWaalsContact NH1-CD 3.31Å; R47-E52 IonicContact NH1-OE1 2.69Å; R47-E52 PolarHBondContact NH1-OE1 2.86Å; R47-E52 IonicContact NH1-OE2 3.62Å; R47-E52 IonicContact NH2-OE1 3.59Å; E52-F71 PolarHBondContact N-O 3.09Å; E52-F71 PolarHBondContact O-N 2.9Å |
| 53 | E | 98 | Very high | 96.7 | Very high | 126 Ų | 126 | 80.3 Ų | 80.3 | 59% | 0.589 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 128.4 | 168.1 | -64.7 | -166.2 | 120.2 | 0 | 0 | 110 | H5 T68 | H5-E53 PolarHBondContact CE1-O 2.9Å; E53-T68 HydrophobicContact CB-CG2 4.38Å; E53-T68 PolarHBondContact OE1-OG1 3.24Å |
| 54 | Y | 98.5 | Very high | 96.7 | Very high | 31 Ų | 31 | 78.5 Ų | 78.5 | 12% | 0.122 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 119.8 | 171.5 | 174.6 | -93.3 | 0 | 0 | 0 | 109.7 | I3 M4 H5 I24 L56 T68 V69 F71 | I3-Y54 HydrophobicContact CG2-CD2 4.27Å; I3-Y54 HydrophobicContact CG2-CE2 3.5Å; M4-Y54 WeakPolarHBondContact O-CE2 3.44Å; H5-Y54 HydrophobicContact CB-CD2 4.05Å; H5-Y54 HydrophobicContact CB-CE2 4.31Å; H5-Y54 AromaticContact ND1-CD2 3.55Å; I24-Y54 HydrophobicContact CD1-CD1 3.44Å; I24-Y54 VanDerWaalsContact CD1-CD1 3.44Å; I24-Y54 HydrophobicContact CD1-CE1 3.83Å; I24-Y54 HydrophobicContact CD1-CG 3.98Å; Y54-L56 HydrophobicContact CD1-CD2 4.01Å; Y54-L56 HydrophobicContact CE1-CD2 3.99Å; Y54-L56 PolarHBondContact O-N 2.87Å; Y54-T68 CarbonylContact O-C 3.49Å; Y54-T68 WeakPolarHBondContact O-CA 3.47Å; Y54-V69 HydrophobicContact CD1-CG2 3.96Å; Y54-V69 PolarHBondContact N-O 3.49Å; Y54-V69 PolarHBondContact O-N 2.95Å; Y54-F71 HydrophobicContact CD2-CD2 4.11Å; Y54-F71 HydrophobicContact CG-CD2 4.26Å |
| 55 | F | 98.5 | Very high | 96.7 | Very high | 145 Ų | 145 | 79.3 Ų | 79.3 | 64% | 0.636 | 40% | 0.398 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 119.7 | 173 | -75.3 | -88.1 | 0 | 0 | 0 | 110.3 | T68 | F55-T68 HydrophobicContact CD1-CG2 3.67Å; F55-T68 HydrophobicContact CD2-CG2 4.37Å; F55-T68 HydrophobicContact CE1-CG2 3.64Å; F55-T68 HydrophobicContact CE2-CG2 4.34Å; F55-T68 HydrophobicContact CG-CG2 4.05Å; F55-T68 HydrophobicContact CZ-CG2 3.99Å |
| 56 | L | 98.5 | Very high | 96.8 | Very high | 8 Ų | 8 | 80.9 Ų | 80.9 | 4% | 0.042 | 41% | 0.405 | C | S | . | . | P | Polyproline II helix | trans | -70.8 | 146 | 179 | -71.2 | 173.8 | 0 | 0 | 0 | 110.8 | I21 Y54 I60 Q61 Q66 D67 V69 | I21-L56 HydrophobicContact CD1-CD1 4.3Å; I21-L56 HydrophobicContact CD1-CD2 3.65Å; Y54-L56 HydrophobicContact CD1-CD2 4.01Å; Y54-L56 HydrophobicContact CE1-CD2 3.99Å; Y54-L56 PolarHBondContact O-N 2.87Å; L56-I60 HydrophobicContact CB-CB 4.35Å; L56-I60 HydrophobicContact CB-CG2 4.39Å; L56-I60 HydrophobicContact CD1-CG2 4.04Å; L56-I60 HydrophobicContact CD2-CG2 4.04Å; L56-I60 HydrophobicContact CG-CG2 4.4Å; L56-Q61 HydrophobicContact CB-CG 3.87Å; L56-Q61 PolarHBondContact O-NE2 3.27Å; L56-Q66 HydrophobicContact CD1-CB 3.74Å; L56-Q66 WeakPolarHBondContact CD1-O 3.48Å; L56-D67 PolarHBondContact N-O 2.93Å; L56-V69 HydrophobicContact CD1-CG1 3.62Å; L56-V69 HydrophobicContact CD2-CG1 4.19Å; L56-V69 HydrophobicContact CD2-CG2 3.79Å; L56-V69 HydrophobicContact CG-CG1 4.02Å; L56-V69 HydrophobicContact CG-CG2 4.15Å |
| 57 | P | 98.1 | Very high | 96.9 | Very high | 60 Ų | 60 | 80.9 Ų | 80.9 | 39% | 0.39 | 40% | 0.401 | S | S | . | . | P | Polyproline II helix | trans | -58.6 | 145.6 | 169.1 | -22.7 | 33.4 | 0 | 0 | 0 | 111.1 | M59 I60 Q61 | P57-M59 HydrophobicContact CB-CG 4.15Å; P57-M59 PolarHBondContact O-N 3.14Å; P57-M59 VanDerWaalsContact O-N 3.11Å; P57-I60 HydrophobicContact CB-CG1 4.36Å; P57-I60 HydrophobicContact CG-CG1 4.35Å; P57-I60 WeakPolarHBondContact O-CA 3.49Å; P57-I60 WeakPolarHBondContact O-CB 3.43Å; P57-I60 PolarHBondContact O-N 3.47Å; P57-Q61 PolarHBondContact O-N 2.77Å |
| 58 | R | 98.3 | Very high | 97.1 | Very high | 200 Ų | 200 | 77.5 Ų | 77.5 | 76% | 0.755 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -48.4 | -44 | -179 | -68.7 | -177 | -177.2 | 173 | 0.3 | 113.3 | I60 Q61 E62 | R58-I60 PolarHBondContact O-N 3.38Å; R58-Q61 WeakPolarHBondContact O-CB 3.13Å; R58-Q61 PolarHBondContact O-N 3Å; R58-Q61 VanDerWaalsContact O-N 3.08Å; R58-E62 WeakPolarHBondContact O-CG 3.42Å; R58-E62 PolarHBondContact O-N 3.45Å |
| 59 | M | 98.3 | Very high | 97.5 | Very high | 131 Ų | 131 | 72.9 Ų | 72.9 | 65% | 0.645 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -58.6 | -29.8 | 177.4 | 67.9 | 178.1 | -65 | 0 | 0 | 113.8 | P57 V63 | P57-M59 HydrophobicContact CB-CG 4.15Å; P57-M59 PolarHBondContact O-N 3.14Å; P57-M59 VanDerWaalsContact O-N 3.11Å; M59-V63 WeakPolarHBondContact O-CG2 3.16Å |
| 60 | I | 98.3 | Very high | 97.9 | Very high | 53 Ų | 53 | 73.2 Ų | 73.2 | 27% | 0.272 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -84.6 | -40.3 | 176.2 | -55.6 | -56.4 | 0 | 0 | 0 | 109.6 | I21 L56 P57 R58 E62 V63 T64 | I21-I60 HydrophobicContact CD1-CG2 3.68Å; L56-I60 HydrophobicContact CB-CB 4.35Å; L56-I60 HydrophobicContact CB-CG2 4.39Å; L56-I60 HydrophobicContact CD1-CG2 4.04Å; L56-I60 HydrophobicContact CD2-CG2 4.04Å; L56-I60 HydrophobicContact CG-CG2 4.4Å; P57-I60 HydrophobicContact CB-CG1 4.36Å; P57-I60 HydrophobicContact CG-CG1 4.35Å; P57-I60 WeakPolarHBondContact O-CA 3.49Å; P57-I60 WeakPolarHBondContact O-CB 3.43Å; P57-I60 PolarHBondContact O-N 3.47Å; R58-I60 PolarHBondContact O-N 3.38Å; I60-E62 VanDerWaalsContact C-N 3.28Å; I60-E62 PolarHBondContact O-N 3.39Å; I60-V63 PolarHBondContact O-N 2.76Å; I60-V63 VanDerWaalsContact O-N 3.09Å; I60-T64 HydrophobicContact CG2-CG2 3.64Å; I60-T64 WeakPolarHBondContact O-CB 3.14Å; I60-T64 WeakPolarHBondContact O-CG2 3.19Å; I60-T64 PolarHBondContact O-N 3.01Å; I60-T64 PolarHBondContact O-OG1 2.72Å |
| 61 | Q | 98.5 | Very high | 98.2 | Very high | 53 Ų | 53 | 68.9 Ų | 68.9 | 25% | 0.248 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -56 | -43.1 | 174.8 | -58.3 | -178.8 | -8.1 | 0 | 0 | 111.7 | L56 P57 R58 V63 G65 Q66 | L56-Q61 HydrophobicContact CB-CG 3.87Å; L56-Q61 PolarHBondContact O-NE2 3.27Å; P57-Q61 PolarHBondContact O-N 2.77Å; R58-Q61 WeakPolarHBondContact O-CB 3.13Å; R58-Q61 PolarHBondContact O-N 3Å; R58-Q61 VanDerWaalsContact O-N 3.08Å; Q61-V63 VanDerWaalsContact C-N 3.27Å; Q61-V63 PolarHBondContact O-N 2.75Å; Q61-G65 WeakPolarHBondContact O-CA 3.11Å; Q61-G65 PolarHBondContact O-N 2.98Å; Q61-Q66 WeakPolarHBondContact CG-O 3.17Å |
| 62 | E | 98 | Very high | 98.2 | Very high | 158 Ų | 158 | 66.7 Ų | 66.7 | 74% | 0.738 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -60.8 | -34.9 | 177.5 | -73.7 | 168.7 | -163 | 0 | 0 | 112.7 | R58 I60 | R58-E62 WeakPolarHBondContact O-CG 3.42Å; R58-E62 PolarHBondContact O-N 3.45Å; I60-E62 VanDerWaalsContact C-N 3.28Å; I60-E62 PolarHBondContact O-N 3.39Å |
| 63 | V | 97.9 | Very high | 98.2 | Very high | 98 Ų | 98 | 64.9 Ų | 64.9 | 59% | 0.594 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -84.8 | -42 | -178.9 | 174.9 | 0 | 0 | 0 | 0 | 111.9 | M59 I60 Q61 | M59-V63 WeakPolarHBondContact O-CG2 3.16Å; I60-V63 PolarHBondContact O-N 2.76Å; I60-V63 VanDerWaalsContact O-N 3.09Å; Q61-V63 VanDerWaalsContact C-N 3.27Å; Q61-V63 PolarHBondContact O-N 2.75Å |
| 64 | T | 98 | Very high | 98 | Very high | 14 Ų | 14 | 58.9 Ų | 58.9 | 9% | 0.086 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -92.4 | -23.2 | -172.7 | 68.1 | 0 | 0 | 0 | 0 | 112.5 | R19 K20 I60 Q66 | R19-T64 VanDerWaalsContact O-CA 3.29Å; R19-T64 WeakPolarHBondContact O-CA 3.5Å; R19-T64 VanDerWaalsContact O-CB 3.27Å; R19-T64 WeakPolarHBondContact O-CB 3.24Å; R19-T64 VanDerWaalsContact O-CG2 3.29Å; R19-T64 WeakPolarHBondContact O-CG2 3.46Å; K20-T64 VanDerWaalsContact CD-O 3.29Å; K20-T64 WeakPolarHBondContact CD-O 3.35Å; K20-T64 WeakPolarHBondContact CE-O 3.34Å; K20-T64 PolarHBondContact NZ-O 2.71Å; I60-T64 HydrophobicContact CG2-CG2 3.64Å; I60-T64 WeakPolarHBondContact O-CB 3.14Å; I60-T64 WeakPolarHBondContact O-CG2 3.19Å; I60-T64 PolarHBondContact O-N 3.01Å; I60-T64 PolarHBondContact O-OG1 2.72Å; T64-Q66 VanDerWaalsContact C-N 3.25Å; T64-Q66 PolarHBondContact O-N 2.97Å; T64-Q66 PolarHBondContact OG1-N 3.21Å |
| 65 | G | 98.3 | Very high | 97.9 | Very high | 59 Ų | 59 | 57.5 Ų | 57.5 | 61% | 0.608 | 30% | 0.299 | S | S | * | . | trans | 59.7 | 35.2 | -168.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | K20 Q61 | K20-G65 PolarHBondContact NZ-O 2.85Å; K20-G65 VanDerWaalsContact NZ-O 3.16Å; Q61-G65 WeakPolarHBondContact O-CA 3.11Å; Q61-G65 PolarHBondContact O-N 2.98Å | ||
| 66 | Q | 98.4 | Very high | 97.9 | Very high | 37 Ų | 37 | 51.1 Ų | 51.1 | 17% | 0.173 | 27% | 0.272 | C | S | . | . | trans | -122.7 | 129.4 | 175 | -63.7 | 173.9 | -87.5 | 0 | 0 | 108.9 | K20 I21 L56 Q61 T64 | K20-Q66 VanDerWaalsContact CA-OE1 3.26Å; K20-Q66 HydrophobicContact CD-CG 3.59Å; I21-Q66 PolarHBondContact O-NE2 2.66Å; L56-Q66 HydrophobicContact CD1-CB 3.74Å; L56-Q66 WeakPolarHBondContact CD1-O 3.48Å; Q61-Q66 WeakPolarHBondContact CG-O 3.17Å; T64-Q66 VanDerWaalsContact C-N 3.25Å; T64-Q66 PolarHBondContact O-N 2.97Å; T64-Q66 PolarHBondContact OG1-N 3.21Å | ||
| 67 | D | 98.4 | Very high | 97.9 | Very high | 110 Ų | 110 | 52.1 Ų | 52.1 | 59% | 0.588 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -78.8 | -43.9 | 174 | -61.5 | -42.9 | 0 | 0 | 0 | 111.2 | L56 | L56-D67 PolarHBondContact N-O 2.93Š|
| 68 | T | 98.6 | Very high | 97.9 | Very high | 37 Ų | 37 | 50 Ų | 50 | 23% | 0.227 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 159 | -178.3 | 64.9 | 0 | 0 | 0 | 0 | 112.1 | E53 Y54 F55 | E53-T68 HydrophobicContact CB-CG2 4.38Å; E53-T68 PolarHBondContact OE1-OG1 3.24Å; Y54-T68 CarbonylContact O-C 3.49Å; Y54-T68 WeakPolarHBondContact O-CA 3.47Å; F55-T68 HydrophobicContact CD1-CG2 3.67Å; F55-T68 HydrophobicContact CD2-CG2 4.37Å; F55-T68 HydrophobicContact CE1-CG2 3.64Å; F55-T68 HydrophobicContact CE2-CG2 4.34Å; F55-T68 HydrophobicContact CG-CG2 4.05Å; F55-T68 HydrophobicContact CZ-CG2 3.99Å |
| 69 | V | 98.4 | Very high | 97.8 | Very high | 4 Ų | 4 | 47.6 Ų | 47.6 | 2% | 0.024 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 156.3 | 173 | -64.2 | 0 | 0 | 0 | 0 | 111.1 | I21 I24 Y54 L56 F71 | I21-V69 HydrophobicContact CB-CG1 3.83Å; I21-V69 HydrophobicContact CG2-CB 4.06Å; I21-V69 HydrophobicContact CG2-CG1 3.82Å; I21-V69 HydrophobicContact CG2-CG2 4.06Å; I24-V69 HydrophobicContact CD1-CG2 3.5Å; I24-V69 HydrophobicContact CG1-CG2 3.98Å; Y54-V69 HydrophobicContact CD1-CG2 3.96Å; Y54-V69 PolarHBondContact N-O 3.49Å; Y54-V69 PolarHBondContact O-N 2.95Å; L56-V69 HydrophobicContact CD1-CG1 3.62Å; L56-V69 HydrophobicContact CD2-CG1 4.19Å; L56-V69 HydrophobicContact CD2-CG2 3.79Å; L56-V69 HydrophobicContact CG-CG1 4.02Å; L56-V69 HydrophobicContact CG-CG2 4.15Å; V69-F71 PolarHBondContact O-N 3.45Å |
| 70 | P | 98.3 | Very high | 97.7 | Very high | 36 Ų | 36 | 43.2 Ų | 43.2 | 23% | 0.234 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 133.1 | 173.5 | -20.9 | 32.5 | 0 | 0 | 0 | 112.2 | L23 I24 I213 | L23-P70 HydrophobicContact CD1-CB 4.25Å; I24-P70 PolarHBondContact N-O 2.57Å; P70-I213 HydrophobicContact CB-CD1 3.91Å; P70-I213 HydrophobicContact CB-CG1 4.47Å; P70-I213 HydrophobicContact CG-CD1 3.65Å; P70-I213 HydrophobicContact CG-CG1 4.34Å |
| 71 | F | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 116.8 | 175.2 | -175.3 | -77.9 | 0 | 0 | 0 | 110.4 | I3 H5 Y10 I24 P26 W45 V51 E52 Y54 V69 | I3-F71 HydrophobicContact CG2-CE2 3.95Å; H5-F71 HydrophobicContact CB-CD1 4.39Å; H5-F71 HydrophobicContact CB-CD2 4.36Å; H5-F71 HydrophobicContact CB-CE1 3.96Å; H5-F71 HydrophobicContact CB-CE2 3.93Å; H5-F71 HydrophobicContact CB-CZ 3.72Å; H5-F71 AromaticContact CD2-CD1 3.55Å; H5-F71 AromaticContact CD2-CE1 3.66Å; Y10-F71 HydrophobicContact CD2-CE1 4.07Å; Y10-F71 AromaticContact CD2-CZ 3.55Å; Y10-F71 HydrophobicContact CD2-CZ 3.55Å; Y10-F71 HydrophobicContact CE2-CE1 4.17Å; Y10-F71 HydrophobicContact CE2-CZ 4.09Å; Y10-F71 HydrophobicContact CG-CE1 4.41Å; Y10-F71 AromaticContact CG-CZ 3.86Å; Y10-F71 HydrophobicContact CG-CZ 3.86Å; I24-F71 HydrophobicContact CB-CD2 3.69Å; I24-F71 HydrophobicContact CB-CE2 4.34Å; I24-F71 HydrophobicContact CB-CG 4.45Å; I24-F71 HydrophobicContact CD1-CD2 4.4Å; I24-F71 HydrophobicContact CG2-CD2 3.35Å; I24-F71 HydrophobicContact CG2-CE2 3.49Å; I24-F71 VanDerWaalsContact CG2-CE2 3.49Å; I24-F71 HydrophobicContact CG2-CG 4.41Å; I24-F71 VanDerWaalsContact O-CA 3.29Å; I24-F71 WeakPolarHBondContact O-CA 3.28Å; P26-F71 HydrophobicContact CB-CE1 3.93Å; P26-F71 HydrophobicContact CB-CZ 3.75Å; P26-F71 HydrophobicContact CG-CD1 4.19Å; P26-F71 HydrophobicContact CG-CE1 3.59Å; P26-F71 HydrophobicContact CG-CZ 3.91Å; W45-F71 HydrophobicContact CE3-CD1 4.29Å; W45-F71 AromaticContact CE3-CE1 3.76Å; W45-F71 HydrophobicContact CE3-CE1 3.76Å; W45-F71 HydrophobicContact CH2-CD1 4.12Å; W45-F71 HydrophobicContact CH2-CE1 4.38Å; W45-F71 AromaticContact CZ3-CD1 3.81Å; W45-F71 HydrophobicContact CZ3-CD1 3.81Å; W45-F71 AromaticContact CZ3-CE1 3.62Å; W45-F71 HydrophobicContact CZ3-CE1 3.62Å; V51-F71 CarbonylContact C-O 3.56Å; V51-F71 WeakPolarHBondContact CA-O 3.23Å; E52-F71 PolarHBondContact N-O 3.09Å; E52-F71 PolarHBondContact O-N 2.9Å; Y54-F71 HydrophobicContact CD2-CD2 4.11Å; Y54-F71 HydrophobicContact CG-CD2 4.26Å; V69-F71 PolarHBondContact O-N 3.45Å |
| 72 | G | 97.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 149.6 | -156.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | I24 R25 Q50 | I24-G72 PolarHBondContact O-N 2.96Å; R25-G72 WeakPolarHBondContact CD-O 3.34Å; Q50-G72 WeakPolarHBondContact O-CA 3.44Å |
| 73 | D | 96.5 | Very high | 97.6 | Very high | 2 Ų | 2 | 32.6 Ų | 32.6 | 1% | 0.011 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -96.8 | 97.6 | -176.9 | -178.1 | 38.9 | 0 | 0 | 0 | 111.1 | R25 M28 R49 Q50 | R25-D73 IonicContact NE-OD1 3.57Å; R25-D73 PolarHBondContact NE-OD1 3.15Å; R25-D73 IonicContact NH2-OD1 3.12Å; M28-D73 HydrophobicContact SD-CB 3.74Å; M28-D73 VanDerWaalsContact SD-CG 3.51Å; R49-D73 WeakPolarHBondContact CD-OD2 3.45Å; R49-D73 PolarHBondContact N-OD2 2.75Å; R49-D73 IonicContact NH1-OD1 3.94Å; R49-D73 IonicContact NH1-OD2 3.98Å; R49-D73 PolarHBondContact NH1-OD2 3.21Å; Q50-D73 PolarHBondContact O-N 2.66Å |
| 74 | C | 94.3 | Very high | 97.5 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.007 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 172.6 | 179.3 | 66.2 | 0 | 0 | 0 | 0 | 111.5 | L23 V51 H211 | L23-C74 WeakPolarHBondContact CD1-SG 3.31Å; L23-C74 WeakPolarHBondContact CD2-SG 3.36Å; V51-C74 HydrophobicContact CG1-CB 3.64Å; C74-H211 WeakPolarHBondContact CA-O 3.41Å; C74-H211 HydrophobicContact CB-CB 3.8Å; C74-H211 WeakPolarHBondContact CB-O 3.48Å |
| 75 | V | 97.1 | Very high | 97.5 | Very high | 2 Ų | 2 | 27.5 Ų | 27.5 | 1% | 0.012 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 156.5 | -178 | -55.5 | 0 | 0 | 0 | 0 | 110.8 | M101 V106 C210 H211 R212 I213 | V75-M101 HydrophobicContact CG1-CG 4.37Å; V75-V106 HydrophobicContact CB-CG2 4.25Å; V75-V106 HydrophobicContact CG1-CG2 3.84Å; V75-V106 HydrophobicContact CG2-CG2 4.38Å; V75-C210 HydrophobicContact CG1-CB 4.2Å; V75-C210 HydrophobicContact CG2-CB 4.05Å; V75-H211 PolarHBondContact N-O 3.39Å; V75-R212 HydrophobicContact CG2-CG 3.75Å; V75-R212 WeakPolarHBondContact O-CA 3.43Å; V75-I213 PolarHBondContact O-N 2.93Å |
| 76 | L | 98.1 | Very high | 97.4 | Very high | 11 Ų | 11 | 24.8 Ų | 24.8 | 6% | 0.058 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 137.9 | 172 | -57.3 | -173.8 | 0 | 0 | 0 | 109.5 | L15 L22 L23 S82 I83 I213 V215 | L15-L76 HydrophobicContact CB-CD1 4.29Å; L15-L76 HydrophobicContact CD2-CD1 3.56Å; L15-L76 HydrophobicContact CD2-CG 4.15Å; L22-L76 HydrophobicContact CB-CD2 4.15Å; L22-L76 HydrophobicContact CD1-CD1 4.02Å; L23-L76 HydrophobicContact CB-CD2 4.09Å; L23-L76 HydrophobicContact CD2-CD2 4.32Å; L76-S82 CarbonylContact O-C 3.23Å; L76-S82 VanDerWaalsContact O-CA 3.23Å; L76-S82 WeakPolarHBondContact O-CA 3.46Å; L76-S82 WeakPolarHBondContact O-CB 3.49Å; L76-I83 HydrophobicContact CB-CB 4.37Å; L76-I83 PolarHBondContact N-O 3.22Å; L76-I83 PolarHBondContact O-N 3.09Å; L76-I213 HydrophobicContact CD2-CB 3.88Å; L76-I213 HydrophobicContact CD2-CG1 4.46Å; L76-I213 HydrophobicContact CD2-CG2 4.2Å; L76-V215 HydrophobicContact CB-CG2 4.17Å; L76-V215 HydrophobicContact CD2-CG2 4.14Å |
| 77 | S | 97.9 | Very high | 97.3 | Very high | 28 Ų | 28 | 23.2 Ų | 23.2 | 20% | 0.196 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 110.8 | 173.1 | -162 | 0 | 0 | 0 | 0 | 107.9 | I213 V215 | S77-I213 PolarHBondContact N-O 3.04Å; S77-V215 PolarHBondContact O-N 2.77Å |
| 78 | T | 97.9 | Very high | 97.2 | Very high | 17 Ų | 17 | 18.3 Ų | 18.3 | 10% | 0.104 | 10% | 0.098 | C | C | . | . | trans | -87.5 | -173.8 | 173.5 | 64.4 | 0 | 0 | 0 | 0 | 109.3 | D80 T81 V215 F217 L219 | T78-D80 WeakPolarHBondContact CB-OD1 3.3Å; T78-D80 PolarHBondContact O-N 2.87Å; T78-D80 PolarHBondContact OG1-OD1 3.06Å; T78-T81 PolarHBondContact N-O 3.44Å; T78-T81 WeakPolarHBondContact OG1-CG2 3.44Å; T78-T81 PolarHBondContact OG1-N 3.48Å; T78-T81 PolarHBondContact OG1-O 2.75Å; T78-T81 VanDerWaalsContact OG1-O 3.06Å; T78-V215 HydrophobicContact CG2-CB 4.29Å; T78-F217 WeakPolarHBondContact CB-O 3.27Å; T78-L219 HydrophobicContact CG2-CD1 3.6Å | ||
| 79 | K | 96.7 | Very high | 97 | Very high | 148 Ų | 148 | 17 Ų | 17 | 64% | 0.643 | 9% | 0.091 | S | C | * | . | S | Bend | trans | -67.6 | -27.3 | 175.8 | -72 | 179.5 | 176.7 | 162.9 | 0 | 113 | D216 F217 | K79-D216 WeakPolarHBondContact CE-OD1 3.14Å; K79-D216 IonicContact NZ-OD1 3.45Å; K79-D216 PolarHBondContact NZ-OD1 2.76Å; K79-F217 PolarHBondContact N-O 3.46Å |
| 80 | D | 95.7 | Very high | 96.9 | Very high | 40 Ų | 40 | 16.8 Ų | 16.8 | 21% | 0.214 | 9% | 0.09 | C | C | . | . | S | Bend | trans | -122.8 | -15.9 | -166.1 | 56.2 | -15.3 | 0 | 0 | 0 | 114.3 | T78 S218 L219 S220 | T78-D80 WeakPolarHBondContact CB-OD1 3.3Å; T78-D80 PolarHBondContact O-N 2.87Å; T78-D80 PolarHBondContact OG1-OD1 3.06Å; D80-S218 PolarHBondContact OD2-OG 3.35Å; D80-L219 PolarHBondContact OD1-N 2.91Å; D80-L219 WeakPolarHBondContact OD2-CA 3.21Å; D80-L219 PolarHBondContact OD2-N 3.22Å; D80-S220 PolarHBondContact OD2-N 2.91Å; D80-S220 PolarHBondContact OD2-OG 3.03Å |
| 81 | T | 96.8 | Very high | 96.8 | Very high | 10 Ų | 10 | 15.3 Ų | 15.3 | 6% | 0.061 | 8% | 0.08 | C | C | . | . | trans | -155.7 | -180 | 179.6 | -169.7 | 0 | 0 | 0 | 0 | 112.8 | T78 I83 E107 I108 L188 L219 | T78-T81 PolarHBondContact N-O 3.44Å; T78-T81 WeakPolarHBondContact OG1-CG2 3.44Å; T78-T81 PolarHBondContact OG1-N 3.48Å; T78-T81 PolarHBondContact OG1-O 2.75Å; T78-T81 VanDerWaalsContact OG1-O 3.06Å; T81-I83 HydrophobicContact CG2-CG1 4.3Å; T81-E107 WeakPolarHBondContact CA-OE2 3.33Å; T81-E107 VanDerWaalsContact CB-OE2 3.28Å; T81-E107 WeakPolarHBondContact CB-OE2 3.29Å; T81-E107 PolarHBondContact OG1-OE2 3.03Å; T81-I108 HydrophobicContact CG2-CD1 4.04Å; T81-L188 HydrophobicContact CG2-CD1 4.43Å; T81-L219 HydrophobicContact CG2-CD1 4.24Å; T81-L219 HydrophobicContact CG2-CD2 3.98Å; T81-L219 HydrophobicContact CG2-CG 4.49Å | ||
| 82 | S | 97.3 | Very high | 96.4 | Very high | 5 Ų | 5 | 20.9 Ų | 20.9 | 4% | 0.035 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 138.6 | 168.6 | 56.3 | 0 | 0 | 0 | 0 | 112.9 | L76 G105 V106 E107 I108 | L76-S82 CarbonylContact O-C 3.23Å; L76-S82 VanDerWaalsContact O-CA 3.23Å; L76-S82 WeakPolarHBondContact O-CA 3.46Å; L76-S82 WeakPolarHBondContact O-CB 3.49Å; S82-G105 PolarHBondContact OG-O 3.45Å; S82-G105 VanDerWaalsContact OG-O 3.09Å; S82-V106 WeakPolarHBondContact OG-CA 3.36Å; S82-E107 PolarHBondContact O-N 3.25Å; S82-I108 PolarHBondContact O-N 2.99Å; S82-I108 VanDerWaalsContact O-N 3.15Å |
| 83 | I | 98.3 | Very high | 96.1 | Very high | 26 Ų | 26 | 23.7 Ų | 23.7 | 13% | 0.133 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 122 | -169.9 | -49 | 174.3 | 0 | 0 | 0 | 109.7 | L76 T81 I108 T110 L219 | L76-I83 HydrophobicContact CB-CB 4.37Å; L76-I83 PolarHBondContact N-O 3.22Å; L76-I83 PolarHBondContact O-N 3.09Å; T81-I83 HydrophobicContact CG2-CG1 4.3Å; I83-I108 CarbonylContact C-O 3.58Å; I83-I108 WeakPolarHBondContact CA-O 3.47Å; I83-I108 HydrophobicContact CG1-CB 4.25Å; I83-I108 HydrophobicContact CG1-CD1 4.4Å; I83-I108 HydrophobicContact CG2-CB 4.36Å; I83-I108 HydrophobicContact CG2-CG2 4.29Å; I83-T110 HydrophobicContact CG2-CG2 4.07Å; I83-L219 HydrophobicContact CD1-CD1 4.18Å; I83-L219 HydrophobicContact CD1-CD2 3.91Å |
| 84 | G | 97.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 159.8 | 173 | 0 | 0 | 0 | 0 | 0 | 112.3 | V106 I108 T110 | G84-V106 VanDerWaalsContact N-CG1 3.31Å; G84-I108 PolarHBondContact N-O 3.03Å; G84-T110 PolarHBondContact O-N 2.93Å; G84-T110 PolarHBondContact O-OG1 3.45Å |
| 85 | T | 96.4 | Very high | 95.6 | Very high | 5 Ų | 5 | 34.2 Ų | 34.2 | 3% | 0.031 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 125.2 | 177.8 | -58.4 | 0 | 0 | 0 | 0 | 110.7 | R13 R25 I87 M101 T110 | R13-T85 HydrophobicContact CB-CG2 4.19Å; R13-T85 HydrophobicContact CG-CG2 3.82Å; R25-T85 HydrophobicContact CG-CG2 4.42Å; R25-T85 PolarHBondContact NH2-O 3.09Å; T85-I87 HydrophobicContact CG2-CG1 4.24Å; T85-M101 WeakPolarHBondContact O-CE 3.21Å; T85-T110 WeakPolarHBondContact CA-O 3.44Å; T85-T110 PolarHBondContact OG1-OG1 3Å |
| 86 | E | 96.5 | Very high | 95.4 | Very high | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 150.7 | 169.3 | -160.1 | 167.8 | 79.9 | 0 | 0 | 108.1 | E90 L91 P97 H98 T110 N111 Y140 | E86-E90 WeakPolarHBondContact CA-OE2 3.37Å; E86-E90 HydrophobicContact CG-CB 3.42Å; E86-E90 VanDerWaalsContact CG-CB 3.42Å; E86-L91 WeakPolarHBondContact OE1-CA 3.44Å; E86-L91 VanDerWaalsContact OE1-CB 3.23Å; E86-L91 WeakPolarHBondContact OE1-CB 3.28Å; E86-P97 HydrophobicContact CG-CB 4.41Å; E86-P97 HydrophobicContact CG-CG 4.22Å; E86-P97 WeakPolarHBondContact OE2-CD 3.3Å; E86-H98 IonicContact OE1-ND1 2.87Å; E86-H98 IonicContact OE2-CG 3.65Å; E86-H98 PolarHBondContact OE2-N 3.21Å; E86-H98 IonicContact OE2-ND1 3.82Å; E86-H98 PolarHBondContact OE2-ND1 3.08Å; E86-T110 PolarHBondContact N-O 3.05Å; E86-N111 HydrophobicContact CB-CB 4.44Å; E86-N111 VanDerWaalsContact O-CA 3.3Å; E86-N111 WeakPolarHBondContact O-CA 3.46Å; E86-Y140 PolarHBondContact OE1-OH 3.09Å |
| 87 | I | 97.7 | Very high | 95.3 | Very high | 4 Ų | 4 | 34.3 Ų | 34.3 | 2% | 0.021 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 107.8 | -178.6 | -52.5 | 175.3 | 0 | 0 | 0 | 109.9 | R13 K27 T85 A89 E90 | R13-I87 HydrophobicContact CG-CD1 3.58Å; R13-I87 HydrophobicContact CG-CG1 3.81Å; K27-I87 HydrophobicContact CB-CB 4.44Å; K27-I87 HydrophobicContact CB-CD1 3.9Å; K27-I87 HydrophobicContact CB-CG2 4.44Å; K27-I87 HydrophobicContact CD-CB 4.2Å; K27-I87 HydrophobicContact CD-CG2 3.76Å; K27-I87 WeakPolarHBondContact CE-O 3.44Å; K27-I87 HydrophobicContact CG-CB 3.99Å; K27-I87 HydrophobicContact CG-CD1 4.38Å; K27-I87 HydrophobicContact CG-CG2 4.07Å; T85-I87 HydrophobicContact CG2-CG1 4.24Å; I87-A89 PolarHBondContact O-N 2.7Å; I87-E90 PolarHBondContact N-OE2 2.66Å; I87-E90 PolarHBondContact O-N 3.26Å; I87-E90 VanDerWaalsContact O-N 3.11Å |
| 88 | C | 95.5 | Very high | 95.1 | Very high | 7 Ų | 7 | 33.6 Ų | 33.6 | 5% | 0.047 | 17% | 0.174 | C | C | . | . | G | 310 helix | trans | 50.4 | -110.6 | 171 | -167.7 | 0 | 0 | 0 | 0 | 112.1 | E90 L91 N111 S112 S113 | C88-E90 PolarHBondContact O-N 3.3Å; C88-L91 WeakPolarHBondContact O-CB 3.35Å; C88-L91 PolarHBondContact O-N 2.88Å; C88-L91 VanDerWaalsContact O-N 3.09Å; C88-N111 WeakPolarHBondContact CA-OD1 3.44Å; C88-N111 PolarHBondContact N-OD1 3.02Å; C88-N111 PolarHBondContact O-ND2 2.74Å; C88-S112 PolarHBondContact N-O 2.93Å; C88-S112 VanDerWaalsContact N-O 3.16Å; C88-S113 WeakPolarHBondContact CA-OG 3.36Å |
| 89 | A | 94.3 | Very high | 94.8 | Very high | 9 Ų | 9 | 34.3 Ų | 34.3 | 7% | 0.074 | 18% | 0.177 | C | C | . | . | G | 310 helix | trans | -62.4 | -8.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | A31 I87 L91 W92 | A31-A89 HydrophobicContact CB-CB 4.05Å; I87-A89 PolarHBondContact O-N 2.7Å; A89-L91 PolarHBondContact O-N 3.44Å; A89-W92 VanDerWaalsContact CA-CE2 3.46Å; A89-W92 VanDerWaalsContact CA-CH2 3.48Å; A89-W92 HydrophobicContact CB-CH2 3.97Å; A89-W92 HydrophobicContact CB-CZ2 3.35Å |
| 90 | E | 96.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.155 | C | C | . | . | G | 310 helix | trans | -61.3 | -24.8 | 168.5 | -73.5 | 178.7 | -174.4 | 0 | 0 | 112.4 | R25 K27 M28 L29 E86 I87 C88 S96 P97 | R25-E90 IonicContact CZ-OE1 3.97Å; R25-E90 IonicContact CZ-OE2 3.35Å; R25-E90 IonicContact NH1-OE1 2.77Å; R25-E90 PolarHBondContact NH1-OE1 3.19Å; R25-E90 IonicContact NH1-OE2 3.33Å; R25-E90 IonicContact NH2-OE1 3.17Å; R25-E90 IonicContact NH2-OE2 2.57Å; R25-E90 PolarHBondContact NH2-OE2 3.34Å; K27-E90 WeakPolarHBondContact CA-OE1 3.48Å; M28-E90 PolarHBondContact N-OE1 2.81Å; L29-E90 HydrophobicContact CB-CG 3.81Å; L29-E90 HydrophobicContact CD1-CB 4.48Å; L29-E90 HydrophobicContact CD1-CG 4.18Å; L29-E90 HydrophobicContact CG-CG 4.23Å; E86-E90 WeakPolarHBondContact CA-OE2 3.37Å; E86-E90 HydrophobicContact CG-CB 3.42Å; E86-E90 VanDerWaalsContact CG-CB 3.42Å; I87-E90 PolarHBondContact N-OE2 2.66Å; I87-E90 PolarHBondContact O-N 3.26Å; I87-E90 VanDerWaalsContact O-N 3.11Å; C88-E90 PolarHBondContact O-N 3.3Å; E90-S96 WeakPolarHBondContact O-CB 3.37Å; E90-S96 PolarHBondContact O-OG 3.41Å; E90-P97 HydrophobicContact CB-CG 3.96Å; E90-P97 HydrophobicContact CG-CG 4.23Å; E90-P97 WeakPolarHBondContact O-CD 3.1Å |
| 91 | L | 96.1 | Very high | 94.4 | Very high | 6 Ų | 6 | 27.1 Ų | 27.1 | 3% | 0.031 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -44.3 | -177.7 | 170.2 | 60.5 | 0 | 0 | 0 | 114.9 | E86 C88 A89 S96 L128 I129 A132 Y140 | E86-L91 WeakPolarHBondContact OE1-CA 3.44Å; E86-L91 VanDerWaalsContact OE1-CB 3.23Å; E86-L91 WeakPolarHBondContact OE1-CB 3.28Å; C88-L91 WeakPolarHBondContact O-CB 3.35Å; C88-L91 PolarHBondContact O-N 2.88Å; C88-L91 VanDerWaalsContact O-N 3.09Å; A89-L91 PolarHBondContact O-N 3.44Å; L91-S96 VanDerWaalsContact C-OG 3.24Å; L91-S96 PolarHBondContact O-OG 3.28Å; L91-L128 HydrophobicContact CD2-CB 4.13Å; L91-L128 HydrophobicContact CG-CB 4.32Å; L91-I129 HydrophobicContact CD2-CD1 4.48Å; L91-I129 HydrophobicContact CD2-CG1 3.73Å; L91-A132 HydrophobicContact CD1-CB 4.19Å; L91-Y140 HydrophobicContact CD1-CE2 4.23Å |
| 92 | W | 90.6 | Very high | 94.2 | Very high | 116 Ų | 116 | 27.1 Ų | 27.1 | 44% | 0.439 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | 20 | -171.8 | 55.3 | 81.8 | 0 | 0 | 0 | 113.2 | A89 L128 | A89-W92 VanDerWaalsContact CA-CE2 3.46Å; A89-W92 VanDerWaalsContact CA-CH2 3.48Å; A89-W92 HydrophobicContact CB-CH2 3.97Å; A89-W92 HydrophobicContact CB-CZ2 3.35Å; W92-L128 HydrophobicContact CB-CD1 3.87Å; W92-L128 HydrophobicContact CB-CD2 4.21Å |
| 93 | N | 90.6 | Very high | 93.8 | Very high | 59 Ų | 59 | 30.8 Ų | 30.8 | 32% | 0.316 | 17% | 0.165 | S | C | . | . | S | Bend | trans | -80.5 | 146.7 | 172.9 | -164.8 | -75.4 | 0 | 0 | 0 | 110.3 | L29 N95 S96 | L29-N93 HydrophobicContact CD1-CB 3.59Å; N93-N95 PolarHBondContact O-N 2.77Å; N93-N95 VanDerWaalsContact O-N 3.13Å; N93-N95 PolarHBondContact OD1-N 2.76Å; N93-N95 VanDerWaalsContact OD1-N 3.12Å; N93-S96 PolarHBondContact N-OG 2.79Å; N93-S96 PolarHBondContact O-N 3.14Å; N93-S96 PolarHBondContact O-OG 2.78Å |
| 94 | P | 89.9 | Confident | 93.4 | Very high | 127 Ų | 127 | 31.7 Ų | 31.7 | 83% | 0.825 | 17% | 0.171 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | -31.4 | 175 | -30.2 | 36.5 | 0 | 0 | 0 | 114.6 | ||
| 95 | N | 90.2 | Very high | 93.1 | Very high | 97 Ų | 97 | 33.2 Ų | 33.2 | 52% | 0.519 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -117.4 | 57.9 | 176 | -169.6 | 34.2 | 0 | 0 | 0 | 110.9 | N93 | N93-N95 PolarHBondContact O-N 2.77Å; N93-N95 VanDerWaalsContact O-N 3.13Å; N93-N95 PolarHBondContact OD1-N 2.76Å; N93-N95 VanDerWaalsContact OD1-N 3.12Å |
| 96 | S | 94.1 | Very high | 93.1 | Very high | 3 Ų | 3 | 33 Ų | 33 | 2% | 0.021 | 18% | 0.184 | C | C | . | . | trans | -60.6 | 146.1 | -179.5 | -61.3 | 0 | 0 | 0 | 0 | 113.2 | E90 L91 N93 H98 I99 | E90-S96 WeakPolarHBondContact O-CB 3.37Å; E90-S96 PolarHBondContact O-OG 3.41Å; L91-S96 VanDerWaalsContact C-OG 3.24Å; L91-S96 PolarHBondContact O-OG 3.28Å; N93-S96 PolarHBondContact N-OG 2.79Å; N93-S96 PolarHBondContact O-N 3.14Å; N93-S96 PolarHBondContact O-OG 2.78Å; S96-H98 VanDerWaalsContact C-N 3.29Å; S96-H98 WeakPolarHBondContact CB-CE1 3.3Å; S96-H98 VanDerWaalsContact CB-ND1 3.3Å; S96-H98 WeakPolarHBondContact CB-ND1 3.29Å; S96-H98 PolarHBondContact O-N 2.74Å; S96-I99 WeakPolarHBondContact O-CB 3.44Å; S96-I99 PolarHBondContact O-N 2.71Å; S96-I99 VanDerWaalsContact O-N 3.15Å | ||
| 97 | P | 94.2 | Very high | 93.1 | Very high | 12 Ų | 12 | 34.5 Ų | 34.5 | 8% | 0.078 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -54.6 | -37.4 | 179.8 | -28.6 | 36.3 | 0 | 0 | 0 | 115 | E86 E90 I99 Q100 M101 | E86-P97 HydrophobicContact CG-CB 4.41Å; E86-P97 HydrophobicContact CG-CG 4.22Å; E86-P97 WeakPolarHBondContact OE2-CD 3.3Å; E90-P97 HydrophobicContact CB-CG 3.96Å; E90-P97 HydrophobicContact CG-CG 4.23Å; E90-P97 WeakPolarHBondContact O-CD 3.1Å; P97-I99 PolarHBondContact O-N 3.16Å; P97-I99 VanDerWaalsContact O-N 3.16Å; P97-Q100 PolarHBondContact O-N 2.81Å; P97-M101 HydrophobicContact CB-CE 3.82Å; P97-M101 HydrophobicContact CB-SD 4.25Å; P97-M101 WeakPolarHBondContact O-CB 3.13Å; P97-M101 VanDerWaalsContact O-CG 3.29Å; P97-M101 WeakPolarHBondContact O-CG 3.4Å; P97-M101 PolarHBondContact O-N 2.99Å |
| 98 | H | 94.4 | Very high | 93.2 | Very high | 13 Ų | 13 | 35.1 Ų | 35.1 | 6% | 0.06 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58.1 | -28.9 | 180 | 67.4 | -97.1 | 0 | 0 | 0 | 113.6 | E86 S96 M101 G102 F109 | E86-H98 IonicContact OE1-ND1 2.87Å; E86-H98 IonicContact OE2-CG 3.65Å; E86-H98 PolarHBondContact OE2-N 3.21Å; E86-H98 IonicContact OE2-ND1 3.82Å; E86-H98 PolarHBondContact OE2-ND1 3.08Å; S96-H98 VanDerWaalsContact C-N 3.29Å; S96-H98 WeakPolarHBondContact CB-CE1 3.3Å; S96-H98 VanDerWaalsContact CB-ND1 3.3Å; S96-H98 WeakPolarHBondContact CB-ND1 3.29Å; S96-H98 PolarHBondContact O-N 2.74Å; H98-M101 PolarHBondContact O-N 2.8Å; H98-G102 PolarHBondContact O-N 2.92Å; H98-F109 HydrophobicContact CB-CD1 4.01Å; H98-F109 HydrophobicContact CB-CE1 4.12Å; H98-F109 HydrophobicContact CB-CG 4.34Å |
| 99 | I | 92.7 | Very high | 93.3 | Very high | 32 Ų | 32 | 35 Ų | 35 | 16% | 0.164 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.9 | -53.7 | 179.5 | -59.5 | 173 | 0 | 0 | 0 | 109.5 | S96 P97 G102 L103 | S96-I99 WeakPolarHBondContact O-CB 3.44Å; S96-I99 PolarHBondContact O-N 2.71Å; S96-I99 VanDerWaalsContact O-N 3.15Å; P97-I99 PolarHBondContact O-N 3.16Å; P97-I99 VanDerWaalsContact O-N 3.16Å; I99-G102 PolarHBondContact O-N 2.78Å; I99-L103 WeakPolarHBondContact O-CG 3.38Å; I99-L103 PolarHBondContact O-N 3Å; I99-L103 VanDerWaalsContact O-N 3.15Å |
| 100 | Q | 90.3 | Very high | 93.5 | Very high | 37 Ų | 37 | 36 Ų | 36 | 17% | 0.173 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -76.1 | -30.8 | -177.5 | -61.4 | -62.7 | -25.1 | 0 | 0 | 111.9 | P97 D104 Q207 | P97-Q100 PolarHBondContact O-N 2.81Å; Q100-D104 WeakPolarHBondContact O-CB 3.45Å; Q100-D104 PolarHBondContact O-N 2.93Å; Q100-D104 VanDerWaalsContact O-N 3.08Å; Q100-Q207 VanDerWaalsContact CD-OE1 3.3Å; Q100-Q207 VanDerWaalsContact OE1-OE1 3.12Å |
| 101 | M | 93.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.5 | -42.7 | 171.8 | -71.3 | 173.7 | -176.6 | 0 | 0 | 111.4 | V75 T85 P97 H98 D104 G105 V106 F109 | V75-M101 HydrophobicContact CG1-CG 4.37Å; T85-M101 WeakPolarHBondContact O-CE 3.21Å; P97-M101 HydrophobicContact CB-CE 3.82Å; P97-M101 HydrophobicContact CB-SD 4.25Å; P97-M101 WeakPolarHBondContact O-CB 3.13Å; P97-M101 VanDerWaalsContact O-CG 3.29Å; P97-M101 WeakPolarHBondContact O-CG 3.4Å; P97-M101 PolarHBondContact O-N 2.99Å; H98-M101 PolarHBondContact O-N 2.8Å; M101-D104 CarbonylContact O-C 3.58Å; M101-D104 PolarHBondContact O-N 2.81Å; M101-G105 PolarHBondContact O-N 3.17Å; M101-V106 HydrophobicContact CB-CB 3.88Å; M101-V106 HydrophobicContact CB-CG1 4.33Å; M101-V106 HydrophobicContact CB-CG2 3.8Å; M101-V106 HydrophobicContact CG-CG2 4.35Å; M101-V106 WeakPolarHBondContact O-CB 3.21Å; M101-V106 VanDerWaalsContact O-CG2 3.3Å; M101-V106 WeakPolarHBondContact O-CG2 3.22Å; M101-V106 PolarHBondContact O-N 2.77Å; M101-F109 HydrophobicContact CB-CD1 4.19Å; M101-F109 HydrophobicContact CB-CE1 3.64Å; M101-F109 HydrophobicContact SD-CD1 4.36Å |
| 102 | G | 91.9 | Very high | 93.6 | Very high | 10 Ų | 10 | 36.9 Ų | 36.9 | 10% | 0.103 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.6 | -42.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | H98 I99 D104 G105 | H98-G102 PolarHBondContact O-N 2.92Å; I99-G102 PolarHBondContact O-N 2.78Å; G102-D104 VanDerWaalsContact C-N 3.28Å; G102-D104 PolarHBondContact O-N 3.15Å; G102-G105 PolarHBondContact O-N 2.56Å |
| 103 | L | 89.5 | Confident | 93.9 | Very high | 82 Ų | 82 | 32 Ų | 32 | 43% | 0.429 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -60.7 | -36 | 172.8 | -72.4 | 175.5 | 0 | 0 | 0 | 112.8 | I99 G105 | I99-L103 WeakPolarHBondContact O-CG 3.38Å; I99-L103 PolarHBondContact O-N 3Å; I99-L103 VanDerWaalsContact O-N 3.15Å; L103-G105 PolarHBondContact O-N 3.21Å |
| 104 | D | 89.8 | Confident | 94.2 | Very high | 46 Ų | 46 | 31 Ų | 31 | 25% | 0.246 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | 5.4 | 175.1 | -86.1 | -4 | 0 | 0 | 0 | 113.4 | R49 Q100 M101 G102 C210 R212 | R49-D104 IonicContact NH2-OD2 3.98Å; Q100-D104 WeakPolarHBondContact O-CB 3.45Å; Q100-D104 PolarHBondContact O-N 2.93Å; Q100-D104 VanDerWaalsContact O-N 3.08Å; M101-D104 CarbonylContact O-C 3.58Å; M101-D104 PolarHBondContact O-N 2.81Å; G102-D104 VanDerWaalsContact C-N 3.28Å; G102-D104 PolarHBondContact O-N 3.15Å; D104-C210 VanDerWaalsContact OD2-CB 3.24Å; D104-C210 WeakPolarHBondContact OD2-CB 3.36Å; D104-C210 PolarHBondContact OD2-N 3.49Å; D104-C210 PolarHBondContact OD2-SG 3.12Å; D104-R212 PolarHBondContact O-NH2 2.85Å |
| 105 | G | 91.6 | Very high | 94.5 | Very high | 31 Ų | 31 | 25.2 Ų | 25.2 | 32% | 0.32 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81.4 | 18.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | S82 M101 G102 L103 E107 | S82-G105 PolarHBondContact OG-O 3.45Å; S82-G105 VanDerWaalsContact OG-O 3.09Å; M101-G105 PolarHBondContact O-N 3.17Å; G102-G105 PolarHBondContact O-N 2.56Å; L103-G105 PolarHBondContact O-N 3.21Å; G105-E107 PolarHBondContact O-N 3.11Å |
| 106 | V | 95.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 13% | 0.128 | C | C | . | . | trans | -66.8 | 128.1 | 171.3 | 176.9 | 0 | 0 | 0 | 0 | 109.9 | V75 S82 G84 M101 I108 F109 R195 | V75-V106 HydrophobicContact CB-CG2 4.25Å; V75-V106 HydrophobicContact CG1-CG2 3.84Å; V75-V106 HydrophobicContact CG2-CG2 4.38Å; S82-V106 WeakPolarHBondContact OG-CA 3.36Å; G84-V106 VanDerWaalsContact N-CG1 3.31Å; M101-V106 HydrophobicContact CB-CB 3.88Å; M101-V106 HydrophobicContact CB-CG1 4.33Å; M101-V106 HydrophobicContact CB-CG2 3.8Å; M101-V106 HydrophobicContact CG-CG2 4.35Å; M101-V106 WeakPolarHBondContact O-CB 3.21Å; M101-V106 VanDerWaalsContact O-CG2 3.3Å; M101-V106 WeakPolarHBondContact O-CG2 3.22Å; M101-V106 PolarHBondContact O-N 2.77Å; V106-I108 WeakPolarHBondContact CG1-O 3.46Å; V106-F109 HydrophobicContact CB-CE1 3.97Å; V106-F109 HydrophobicContact CG1-CD1 3.95Å; V106-F109 HydrophobicContact CG1-CE1 3.74Å; V106-R195 VanDerWaalsContact O-CZ 3.28Å; V106-R195 PolarHBondContact O-NH1 3.5Å; V106-R195 PolarHBondContact O-NH2 3.01Å | ||
| 107 | E | 97.4 | Very high | 95.1 | Very high | 34 Ų | 34 | 20.8 Ų | 20.8 | 16% | 0.159 | 13% | 0.127 | C | C | . | . | trans | -98.8 | -30.9 | -176.3 | -70.4 | 158.1 | 168.6 | 0 | 0 | 112.1 | T81 S82 G105 G138 I139 V191 | T81-E107 WeakPolarHBondContact CA-OE2 3.33Å; T81-E107 VanDerWaalsContact CB-OE2 3.28Å; T81-E107 WeakPolarHBondContact CB-OE2 3.29Å; T81-E107 PolarHBondContact OG1-OE2 3.03Å; S82-E107 PolarHBondContact O-N 3.25Å; G105-E107 PolarHBondContact O-N 3.11Å; E107-G138 CarbonylContact O-C 3.56Å; E107-G138 VanDerWaalsContact O-CA 3.28Å; E107-G138 WeakPolarHBondContact O-CA 3.28Å; E107-I139 PolarHBondContact O-N 3.39Å; E107-V191 HydrophobicContact CB-CG1 4.31Å; E107-V191 HydrophobicContact CG-CG1 4.08Å | ||
| 108 | I | 98.4 | Very high | 95.3 | Very high | 17 Ų | 17 | 22 Ų | 22 | 9% | 0.087 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 122.5 | -177.9 | -53.8 | -178.4 | 0 | 0 | 0 | 110.3 | T81 S82 I83 G84 V106 T110 I139 L141 L188 L219 | T81-I108 HydrophobicContact CG2-CD1 4.04Å; S82-I108 PolarHBondContact O-N 2.99Å; S82-I108 VanDerWaalsContact O-N 3.15Å; I83-I108 CarbonylContact C-O 3.58Å; I83-I108 WeakPolarHBondContact CA-O 3.47Å; I83-I108 HydrophobicContact CG1-CB 4.25Å; I83-I108 HydrophobicContact CG1-CD1 4.4Å; I83-I108 HydrophobicContact CG2-CB 4.36Å; I83-I108 HydrophobicContact CG2-CG2 4.29Å; G84-I108 PolarHBondContact N-O 3.03Å; V106-I108 WeakPolarHBondContact CG1-O 3.46Å; I108-T110 HydrophobicContact CG2-CG2 4.5Å; I108-I139 CarbonylContact C-O 3.13Å; I108-I139 WeakPolarHBondContact CA-O 3.3Å; I108-I139 HydrophobicContact CG1-CB 4.37Å; I108-I139 HydrophobicContact CG1-CD1 4.34Å; I108-L141 HydrophobicContact CG2-CD1 3.35Å; I108-L188 HydrophobicContact CD1-CD2 4.28Å; I108-L188 HydrophobicContact CG1-CD2 4.39Å; I108-L219 HydrophobicContact CD1-CD2 3.97Å |
| 109 | F | 98.1 | Very high | 95.5 | Very high | 3 Ų | 3 | 21.9 Ų | 21.9 | 1% | 0.013 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 130.2 | 172.9 | -47.3 | -74.5 | 0 | 0 | 0 | 109.9 | H98 M101 V106 I139 Y140 L141 | H98-F109 HydrophobicContact CB-CD1 4.01Å; H98-F109 HydrophobicContact CB-CE1 4.12Å; H98-F109 HydrophobicContact CB-CG 4.34Å; M101-F109 HydrophobicContact CB-CD1 4.19Å; M101-F109 HydrophobicContact CB-CE1 3.64Å; M101-F109 HydrophobicContact SD-CD1 4.36Å; V106-F109 HydrophobicContact CB-CE1 3.97Å; V106-F109 HydrophobicContact CG1-CD1 3.95Å; V106-F109 HydrophobicContact CG1-CE1 3.74Å; F109-I139 WeakPolarHBondContact CD2-O 3.47Å; F109-I139 PolarHBondContact N-O 3.02Å; F109-Y140 HydrophobicContact CB-CD2 3.62Å; F109-Y140 HydrophobicContact CB-CE2 3.94Å; F109-Y140 HydrophobicContact CB-CG 4.23Å; F109-Y140 HydrophobicContact CD2-CD2 4.04Å; F109-Y140 HydrophobicContact CG-CD2 4.14Å; F109-Y140 WeakPolarHBondContact O-CA 3.23Å; F109-L141 PolarHBondContact O-N 3.33Å |
| 110 | T | 98.3 | Very high | 95.7 | Very high | 32 Ų | 32 | 24.8 Ų | 24.8 | 20% | 0.196 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 124.8 | 174.9 | 56 | 0 | 0 | 0 | 0 | 109.9 | I83 G84 T85 E86 I108 L141 | I83-T110 HydrophobicContact CG2-CG2 4.07Å; G84-T110 PolarHBondContact O-N 2.93Å; G84-T110 PolarHBondContact O-OG1 3.45Å; T85-T110 WeakPolarHBondContact CA-O 3.44Å; T85-T110 PolarHBondContact OG1-OG1 3Å; E86-T110 PolarHBondContact N-O 3.05Å; I108-T110 HydrophobicContact CG2-CG2 4.5Å; T110-L141 HydrophobicContact CG2-CB 4.45Å; T110-L141 HydrophobicContact CG2-CD1 4.45Å |
| 111 | N | 98.4 | Very high | 96 | Very high | 3 Ų | 3 | 24.3 Ų | 24.3 | 2% | 0.016 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 115.4 | 174.6 | -170.8 | -45.2 | 0 | 0 | 0 | 111.1 | E86 C88 S113 Y140 L141 Y142 A143 | E86-N111 HydrophobicContact CB-CB 4.44Å; E86-N111 VanDerWaalsContact O-CA 3.3Å; E86-N111 WeakPolarHBondContact O-CA 3.46Å; C88-N111 WeakPolarHBondContact CA-OD1 3.44Å; C88-N111 PolarHBondContact N-OD1 3.02Å; C88-N111 PolarHBondContact O-ND2 2.74Å; N111-S113 PolarHBondContact OD1-OG 3.24Å; N111-Y140 HydrophobicContact CB-CE1 3.51Å; N111-Y140 VanDerWaalsContact CB-OH 3.22Å; N111-Y140 WeakPolarHBondContact CB-OH 3.49Å; N111-Y140 PolarHBondContact ND2-OH 2.93Å; N111-L141 PolarHBondContact N-O 2.54Å; N111-Y142 HydrophobicContact CB-CD2 4.18Å; N111-Y142 WeakPolarHBondContact O-CA 3.07Å; N111-A143 PolarHBondContact O-N 2.83Å |
| 112 | S | 97.1 | Very high | 96.1 | Very high | 21 Ų | 21 | 24.4 Ų | 24.4 | 15% | 0.147 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 128.1 | 167.7 | 67.1 | 0 | 0 | 0 | 0 | 111 | R13 C88 A143 | R13-S112 WeakPolarHBondContact CD-OG 3.34Å; R13-S112 PolarHBondContact NE-OG 3.16Å; R13-S112 PolarHBondContact NH1-OG 3.15Å; R13-S112 VanDerWaalsContact NH1-OG 3.14Å; C88-S112 PolarHBondContact N-O 2.93Å; C88-S112 VanDerWaalsContact N-O 3.16Å; S112-A143 CarbonylContact C-O 3.49Å; S112-A143 WeakPolarHBondContact CA-O 3.28Å |
| 113 | S | 97.3 | Very high | 96.3 | Very high | 14 Ų | 14 | 27 Ų | 27 | 10% | 0.098 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 158.5 | -173.6 | -76.1 | 0 | 0 | 0 | 0 | 112.6 | C88 N111 Y142 A143 N144 Q145 | C88-S113 WeakPolarHBondContact CA-OG 3.36Å; N111-S113 PolarHBondContact OD1-OG 3.24Å; S113-Y142 WeakPolarHBondContact CB-OH 3.5Å; S113-Y142 WeakPolarHBondContact OG-CE2 3.47Å; S113-Y142 PolarHBondContact OG-OH 2.97Å; S113-A143 PolarHBondContact N-O 3.2Å; S113-N144 WeakPolarHBondContact O-CA 3.29Å; S113-N144 PolarHBondContact O-OD1 3.23Å; S113-N144 VanDerWaalsContact O-OD1 3.06Å; S113-Q145 PolarHBondContact O-N 2.7Å |
| 114 | A | 96.6 | Very high | 96.6 | Very high | 36 Ų | 36 | 28.3 Ų | 28.3 | 30% | 0.298 | 15% | 0.154 | S | C | . | . | trans | -131.9 | 66.1 | 162.5 | 0 | 0 | 0 | 0 | 0 | 106 | Y36 N144 Y155 | Y36-A114 WeakPolarHBondContact CE1-O 3.31Å; Y36-A114 PolarHBondContact OH-O 3.45Å; A114-N144 VanDerWaalsContact CA-OD1 3.25Å; A114-N144 WeakPolarHBondContact CA-OD1 3.3Å; A114-N144 PolarHBondContact N-OD1 2.82Å; A114-Y155 HydrophobicContact CB-CD1 4.22Å; A114-Y155 HydrophobicContact CB-CE1 3.79Å; A114-Y155 VanDerWaalsContact O-CE1 3.31Å; A114-Y155 WeakPolarHBondContact O-CE1 3.4Å | ||
| 115 | S | 96.6 | Very high | 96.9 | Very high | 7 Ų | 7 | 26.8 Ų | 26.8 | 5% | 0.049 | 15% | 0.145 | C | C | . | . | trans | -92.4 | 113 | -179.5 | -179 | 0 | 0 | 0 | 0 | 109.9 | Y36 R125 N144 | Y36-S115 WeakPolarHBondContact OH-CA 3.14Å; S115-R125 PolarHBondContact OG-NH2 3.37Å; S115-N144 PolarHBondContact N-OD1 2.68Å; S115-N144 PolarHBondContact O-ND2 3.39Å | ||
| 116 | H | 97.9 | Very high | 97.2 | Very high | 5 Ų | 5 | 25.5 Ų | 25.5 | 2% | 0.023 | 13% | 0.131 | C | C | . | . | B | Isolated β-bridge | trans | -70.9 | 156.2 | 176 | 64.7 | -82.1 | 0 | 0 | 0 | 112.4 | Y36 K121 L153 Y154 Y155 H570 | Y36-H116 AromaticContact CE1-ND1 3.87Å; Y36-H116 AromaticContact CE2-CE1 3.46Å; Y36-H116 VanDerWaalsContact CE2-CE1 3.46Å; Y36-H116 WeakPolarHBondContact CE2-CE1 3.24Å; Y36-H116 AromaticContact CE2-ND1 3.63Å; Y36-H116 AromaticContact CZ-CE1 3.54Å; Y36-H116 AromaticContact CZ-ND1 3.17Å; Y36-H116 PolarHBondContact OH-CE1 2.98Å; Y36-H116 PolarHBondContact OH-N 3.07Å; Y36-H116 PolarHBondContact OH-ND1 2.8Å; H116-K121 WeakPolarHBondContact O-CE 3.25Å; H116-K121 PolarHBondContact O-NZ 2.71Å; H116-L153 HydrophobicContact CB-CB 4.02Å; H116-L153 HydrophobicContact CB-CD1 4.03Å; H116-L153 HydrophobicContact CB-CD2 4.2Å; H116-L153 HydrophobicContact CB-CG 4.32Å; H116-Y154 CarbonylContact C-O 3.6Å; H116-Y154 WeakPolarHBondContact CA-O 3.48Å; H116-Y155 HydrophobicContact CB-CD1 4.37Å; H116-Y155 HydrophobicContact CB-CE1 4.41Å; H116-H570 AromaticContact CD2-CD2 3.49Å; H116-H570 PolarHBondContact CD2-CD2 3.49Å; H116-H570 VanDerWaalsContact CD2-CD2 3.49Å; H116-H570 AromaticContact NE2-CD2 3.63Å; H116-H570 AromaticContact NE2-NE2 3.7Å |
| 117 | H | 98.5 | Very high | 97.2 | Very high | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | trans | -57.9 | 136.8 | 169.9 | -176.7 | -124.8 | 0 | 0 | 0 | 110.3 | Y154 D156 F174 E243 Y569 | H117-Y154 HydrophobicContact CB-CD1 4.4Å; H117-Y154 WeakPolarHBondContact CB-O 3.07Å; H117-Y154 PolarHBondContact N-O 3.16Å; H117-D156 HydrophobicContact CB-CB 3.97Å; H117-D156 IonicContact CD2-OD2 3.3Å; H117-F174 AromaticContact CD2-CZ 3.77Å; H117-F174 AromaticContact NE2-CZ 3.72Å; H117-E243 IonicContact CD2-OE2 3.32Å; H117-E243 IonicContact CE1-OE2 3.35Å; H117-E243 IonicContact NE2-OE2 2.83Å; H117-E243 PolarHBondContact NE2-OE2 3.35Å; H117-Y569 VanDerWaalsContact CG-OH 3.29Å; H117-Y569 AromaticContact ND1-CE1 3.53Å; H117-Y569 AromaticContact ND1-CZ 3.49Å; H117-Y569 PolarHBondContact ND1-OH 3.15Å | ||
| 118 | E | 97.9 | Very high | 97.2 | Very high | 39 Ų | 39 | 31 Ų | 31 | 18% | 0.182 | 16% | 0.161 | C | C | . | . | trans | -139.8 | 132.7 | 162 | 177.5 | -175.1 | 131.1 | 0 | 0 | 104.6 | R120 K121 A571 S573 | E118-R120 PolarHBondContact O-N 2.9Å; E118-K121 HydrophobicContact CB-CB 3.8Å; E118-K121 HydrophobicContact CB-CD 3.76Å; E118-K121 HydrophobicContact CB-CG 4.4Å; E118-K121 VanDerWaalsContact CB-NZ 3.28Å; E118-K121 HydrophobicContact CG-CB 4.26Å; E118-K121 HydrophobicContact CG-CD 4.33Å; E118-K121 VanDerWaalsContact O-CB 3.25Å; E118-K121 WeakPolarHBondContact O-CB 3.42Å; E118-K121 PolarHBondContact O-N 3.12Å; E118-K121 IonicContact OE2-NZ 2.74Å; E118-A571 CarbonylContact C-O 3.52Å; E118-A571 WeakPolarHBondContact CA-O 3.47Å; E118-A571 WeakPolarHBondContact CG-O 3.16Å; E118-S573 VanDerWaalsContact OE1-CB 3.23Å; E118-S573 WeakPolarHBondContact OE1-CB 3.41Å | ||
| 119 | L | 97.9 | Very high | 97.2 | Very high | 9 Ų | 9 | 30.2 Ų | 30.2 | 5% | 0.047 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | 122.8 | -172.2 | -172.6 | 61 | 0 | 0 | 0 | 109.3 | E243 I244 A571 | L119-E243 WeakPolarHBondContact CA-OE2 3.48Å; L119-E243 HydrophobicContact CD1-CB 3.67Å; L119-E243 WeakPolarHBondContact CD1-OE2 3.38Å; L119-I244 HydrophobicContact CD1-CD1 4.47Å; L119-I244 HydrophobicContact CD1-CG1 3.96Å; L119-I244 HydrophobicContact CD2-CD1 4.16Å; L119-I244 HydrophobicContact CD2-CG1 4.28Å; L119-A571 HydrophobicContact CB-CB 4.24Å; L119-A571 PolarHBondContact N-O 3.34Å |
| 120 | R | 97.3 | Very high | 97.1 | Very high | 93 Ų | 93 | 33.1 Ų | 33.1 | 35% | 0.351 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.1 | 18.7 | -177.7 | -49 | 148.5 | 176.3 | 114 | 1.9 | 115.9 | E118 P240 E243 D458 E572 | E118-R120 PolarHBondContact O-N 2.9Å; R120-P240 HydrophobicContact CG-CB 4.48Å; R120-P240 HydrophobicContact CG-CG 4.09Å; R120-E243 PolarHBondContact N-OE2 3.48Å; R120-D458 IonicContact CZ-OD1 2.87Å; R120-D458 IonicContact CZ-OD2 3.71Å; R120-D458 IonicContact NH1-OD1 2.86Å; R120-D458 IonicContact NH1-OD2 3.88Å; R120-D458 PolarHBondContact NH1-OD2 3.39Å; R120-D458 IonicContact NH2-OD1 2.73Å; R120-D458 PolarHBondContact NH2-OD1 2.93Å; R120-D458 IonicContact NH2-OD2 2.67Å; R120-D458 PolarHBondContact NH2-OD2 3.35Å; R120-D458 VanDerWaalsContact NH2-OD2 3.09Å; R120-E572 IonicContact NH1-OE1 3.02Å |
| 121 | K | 96.4 | Very high | 97 | Very high | 27 Ų | 27 | 35.9 Ų | 35.9 | 12% | 0.117 | 19% | 0.186 | C | C | . | . | trans | -90.5 | -15.2 | 179 | -174.8 | 179.7 | 65.7 | -161.1 | 0 | 114.2 | H116 E118 D123 Q124 R125 | H116-K121 WeakPolarHBondContact O-CE 3.25Å; H116-K121 PolarHBondContact O-NZ 2.71Å; E118-K121 HydrophobicContact CB-CB 3.8Å; E118-K121 HydrophobicContact CB-CD 3.76Å; E118-K121 HydrophobicContact CB-CG 4.4Å; E118-K121 VanDerWaalsContact CB-NZ 3.28Å; E118-K121 HydrophobicContact CG-CB 4.26Å; E118-K121 HydrophobicContact CG-CD 4.33Å; E118-K121 VanDerWaalsContact O-CB 3.25Å; E118-K121 WeakPolarHBondContact O-CB 3.42Å; E118-K121 PolarHBondContact O-N 3.12Å; E118-K121 IonicContact OE2-NZ 2.74Å; K121-D123 PolarHBondContact O-N 3.27Å; K121-Q124 PolarHBondContact O-N 3.13Å; K121-R125 PolarHBondContact O-N 3.15Å | ||
| 122 | A | 95.9 | Very high | 96.8 | Very high | 2 Ų | 2 | 36 Ų | 36 | 2% | 0.017 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.2 | -36.2 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113 | Q124 R125 V126 F237 | A122-Q124 PolarHBondContact O-N 3.47Å; A122-R125 WeakPolarHBondContact O-CB 3.33Å; A122-R125 PolarHBondContact O-N 3.1Å; A122-V126 WeakPolarHBondContact O-CG2 3.46Å; A122-V126 PolarHBondContact O-N 3.06Å; A122-V126 VanDerWaalsContact O-N 3.13Å; A122-F237 HydrophobicContact CB-CD1 4.25Å; A122-F237 HydrophobicContact CB-CE1 4.36Å |
| 123 | D | 95.9 | Very high | 96.7 | Very high | 64 Ų | 64 | 35 Ų | 35 | 34% | 0.342 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -60.2 | -43.9 | 177.6 | 70.6 | -32.3 | 0 | 0 | 0 | 112.9 | K121 R125 V126 N127 F237 | K121-D123 PolarHBondContact O-N 3.27Å; D123-R125 VanDerWaalsContact C-N 3.28Å; D123-R125 PolarHBondContact O-N 3.02Å; D123-V126 PolarHBondContact O-N 2.76Å; D123-N127 VanDerWaalsContact O-CB 3.32Å; D123-N127 WeakPolarHBondContact O-CB 3.43Å; D123-N127 PolarHBondContact O-N 2.87Å; D123-N127 PolarHBondContact O-ND2 3.43Å; D123-N127 VanDerWaalsContact O-ND2 3.17Å; D123-F237 HydrophobicContact CB-CD1 4.3Å; D123-F237 HydrophobicContact CB-CE1 3.85Å; D123-F237 HydrophobicContact CB-CE2 4.47Å; D123-F237 HydrophobicContact CB-CZ 3.95Å |
| 124 | Q | 95.7 | Very high | 96.6 | Very high | 110 Ų | 110 | 37.5 Ų | 37.5 | 51% | 0.514 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -59.8 | -41.8 | 178.4 | -65.7 | 173.9 | 28 | 0 | 0 | 110.7 | K121 A122 N127 L128 | K121-Q124 PolarHBondContact O-N 3.13Å; A122-Q124 PolarHBondContact O-N 3.47Å; Q124-N127 PolarHBondContact O-N 3.22Å; Q124-L128 WeakPolarHBondContact O-CB 3.28Å; Q124-L128 VanDerWaalsContact O-CG 3.24Å; Q124-L128 WeakPolarHBondContact O-CG 3.49Å; Q124-L128 PolarHBondContact O-N 2.61Å |
| 125 | R | 96.3 | Very high | 96.3 | Very high | 15 Ų | 15 | 41.9 Ų | 41.9 | 6% | 0.057 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.1 | -49.6 | 178.3 | -175.7 | -169.9 | -56.7 | 172.2 | 13.1 | 111.6 | S115 K121 A122 D123 N127 L128 I129 Y142 N144 D156 G157 | S115-R125 PolarHBondContact OG-NH2 3.37Å; K121-R125 PolarHBondContact O-N 3.15Å; A122-R125 WeakPolarHBondContact O-CB 3.33Å; A122-R125 PolarHBondContact O-N 3.1Å; D123-R125 VanDerWaalsContact C-N 3.28Å; D123-R125 PolarHBondContact O-N 3.02Å; R125-N127 VanDerWaalsContact C-N 3.31Å; R125-N127 PolarHBondContact O-N 3.01Å; R125-L128 PolarHBondContact O-N 3.29Å; R125-I129 HydrophobicContact CG-CD1 4.3Å; R125-I129 PolarHBondContact O-N 2.82Å; R125-Y142 WeakPolarHBondContact CD-OH 3.43Å; R125-N144 PolarHBondContact NH1-ND2 3.01Å; R125-D156 IonicContact CZ-OD1 3.88Å; R125-D156 IonicContact CZ-OD2 3.65Å; R125-D156 IonicContact NH1-OD1 2.7Å; R125-D156 PolarHBondContact NH1-OD1 3.15Å; R125-D156 IonicContact NH1-OD2 3.62Å; R125-D156 VanDerWaalsContact NH2-CG 3.33Å; R125-D156 IonicContact NH2-OD1 4Å; R125-D156 PolarHBondContact NH2-OD1 3.37Å; R125-D156 IonicContact NH2-OD2 3.74Å; R125-D156 PolarHBondContact NH2-OD2 3.35Å; R125-D156 VanDerWaalsContact NH2-OD2 3.12Å; R125-G157 PolarHBondContact NH1-O 2.86Å |
| 126 | V | 97.1 | Very high | 96 | Very high | 4 Ų | 4 | 42.2 Ų | 42.2 | 2% | 0.024 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -58.9 | -46.6 | 177.9 | 174.6 | 0 | 0 | 0 | 0 | 109.9 | A122 D123 L128 I129 K130 M160 V167 W235 F237 | A122-V126 WeakPolarHBondContact O-CG2 3.46Å; A122-V126 PolarHBondContact O-N 3.06Å; A122-V126 VanDerWaalsContact O-N 3.13Å; D123-V126 PolarHBondContact O-N 2.76Å; V126-L128 PolarHBondContact O-N 2.88Å; V126-I129 PolarHBondContact O-N 3.26Å; V126-K130 HydrophobicContact CG1-CD 4.04Å; V126-K130 HydrophobicContact CG1-CG 4.27Å; V126-K130 WeakPolarHBondContact O-CG 3.38Å; V126-K130 PolarHBondContact O-N 3.46Å; V126-M160 HydrophobicContact CG2-CE 3.81Å; V126-M160 HydrophobicContact CG2-SD 4.33Å; V126-V167 HydrophobicContact CG1-CG2 4.36Å; V126-W235 HydrophobicContact CG1-CD2 4.26Å; V126-W235 HydrophobicContact CG1-CE3 4.17Å; V126-W235 HydrophobicContact CG1-CG 4.44Å; V126-W235 HydrophobicContact CG2-CD2 3.67Å; V126-W235 HydrophobicContact CG2-CE3 3.82Å; V126-W235 HydrophobicContact CG2-CG 4.3Å; V126-W235 HydrophobicContact CG2-CH2 3.96Å; V126-W235 HydrophobicContact CG2-CZ2 3.79Å; V126-W235 HydrophobicContact CG2-CZ3 3.96Å; V126-F237 HydrophobicContact CB-CE1 4.33Å; V126-F237 HydrophobicContact CB-CZ 4.04Å; V126-F237 HydrophobicContact CG1-CZ 4.24Å; V126-F237 HydrophobicContact CG2-CE1 3.89Å; V126-F237 HydrophobicContact CG2-CZ 4.03Å |
| 127 | N | 97.2 | Very high | 95.8 | Very high | 82 Ų | 82 | 42 Ų | 42 | 44% | 0.439 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -63.8 | -37.6 | -179 | -72.5 | -27.1 | 0 | 0 | 0 | 113.4 | D123 Q124 R125 T131 | D123-N127 VanDerWaalsContact O-CB 3.32Å; D123-N127 WeakPolarHBondContact O-CB 3.43Å; D123-N127 PolarHBondContact O-N 2.87Å; D123-N127 PolarHBondContact O-ND2 3.43Å; D123-N127 VanDerWaalsContact O-ND2 3.17Å; Q124-N127 PolarHBondContact O-N 3.22Å; R125-N127 VanDerWaalsContact C-N 3.31Å; R125-N127 PolarHBondContact O-N 3.01Å; N127-T131 VanDerWaalsContact O-CB 3.26Å; N127-T131 WeakPolarHBondContact O-CB 3.47Å; N127-T131 PolarHBondContact O-N 3.19Å; N127-T131 PolarHBondContact O-OG1 3.37Å |
| 128 | L | 97 | Very high | 95.8 | Very high | 68 Ų | 68 | 41.9 Ų | 41.9 | 36% | 0.356 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -62.1 | -44 | 174.6 | -76.2 | 165.6 | 0 | 0 | 0 | 111.8 | L91 W92 Q124 R125 V126 T131 A132 | L91-L128 HydrophobicContact CD2-CB 4.13Å; L91-L128 HydrophobicContact CG-CB 4.32Å; W92-L128 HydrophobicContact CB-CD1 3.87Å; W92-L128 HydrophobicContact CB-CD2 4.21Å; Q124-L128 WeakPolarHBondContact O-CB 3.28Å; Q124-L128 VanDerWaalsContact O-CG 3.24Å; Q124-L128 WeakPolarHBondContact O-CG 3.49Å; Q124-L128 PolarHBondContact O-N 2.61Å; R125-L128 PolarHBondContact O-N 3.29Å; V126-L128 PolarHBondContact O-N 2.88Å; L128-T131 PolarHBondContact O-N 2.89Å; L128-A132 WeakPolarHBondContact O-CB 3.16Å; L128-A132 PolarHBondContact O-N 2.84Å |
| 129 | I | 97.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -68.5 | -44.1 | 179.1 | -66.3 | 165.6 | 0 | 0 | 0 | 110.9 | L91 R125 V126 A132 T133 Y140 Y142 M160 A162 | L91-I129 HydrophobicContact CD2-CD1 4.48Å; L91-I129 HydrophobicContact CD2-CG1 3.73Å; R125-I129 HydrophobicContact CG-CD1 4.3Å; R125-I129 PolarHBondContact O-N 2.82Å; V126-I129 PolarHBondContact O-N 3.26Å; I129-A132 PolarHBondContact O-N 3.3Å; I129-T133 PolarHBondContact O-N 3.01Å; I129-T133 PolarHBondContact O-OG1 3.18Å; I129-T133 VanDerWaalsContact O-OG1 3.13Å; I129-Y140 HydrophobicContact CG1-CD1 4.3Å; I129-Y140 HydrophobicContact CG1-CE1 4.07Å; I129-Y140 HydrophobicContact CG2-CD1 3.71Å; I129-Y140 HydrophobicContact CG2-CE1 4.33Å; I129-Y140 HydrophobicContact CG2-CG 4Å; I129-Y142 HydrophobicContact CD1-CD1 4.33Å; I129-Y142 HydrophobicContact CD1-CD2 3.7Å; I129-Y142 HydrophobicContact CD1-CE2 4.38Å; I129-Y142 HydrophobicContact CD1-CG 3.67Å; I129-M160 HydrophobicContact CB-SD 4.35Å; I129-M160 HydrophobicContact CD1-CE 3.87Å; I129-M160 HydrophobicContact CD1-CG 4.07Å; I129-M160 HydrophobicContact CD1-SD 3.55Å; I129-M160 VanDerWaalsContact CD1-SD 3.55Å; I129-M160 HydrophobicContact CG2-SD 4.29Å; I129-A162 HydrophobicContact CG2-CB 3.87Å |
| 130 | K | 97.3 | Very high | 95.8 | Very high | 64 Ų | 64 | 40.1 Ų | 40.1 | 28% | 0.278 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -57.2 | -51.3 | 173.7 | -70.1 | -172.5 | 74 | 171.7 | 0 | 110.3 | V126 A132 T133 T134 G165 E166 V167 | V126-K130 HydrophobicContact CG1-CD 4.04Å; V126-K130 HydrophobicContact CG1-CG 4.27Å; V126-K130 WeakPolarHBondContact O-CG 3.38Å; V126-K130 PolarHBondContact O-N 3.46Å; K130-A132 VanDerWaalsContact C-N 3.35Å; K130-A132 PolarHBondContact O-N 2.76Å; K130-T133 PolarHBondContact O-N 2.83Å; K130-T133 PolarHBondContact O-OG1 2.89Å; K130-T134 PolarHBondContact O-N 2.74Å; K130-T134 PolarHBondContact O-OG1 2.79Å; K130-G165 WeakPolarHBondContact CE-O 3.19Å; K130-E166 IonicContact NZ-OE2 2.73Å; K130-V167 HydrophobicContact CD-CG2 4.26Å; K130-V167 HydrophobicContact CG-CG2 4.04Å |
| 131 | T | 95.8 | Very high | 95.9 | Very high | 89 Ų | 89 | 39 Ų | 39 | 55% | 0.546 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -63 | -38.5 | -178.5 | -62.9 | 0 | 0 | 0 | 0 | 112.6 | N127 L128 T133 K135 | N127-T131 VanDerWaalsContact O-CB 3.26Å; N127-T131 WeakPolarHBondContact O-CB 3.47Å; N127-T131 PolarHBondContact O-N 3.19Å; N127-T131 PolarHBondContact O-OG1 3.37Å; L128-T131 PolarHBondContact O-N 2.89Å; T131-T133 VanDerWaalsContact C-N 3.34Å; T131-T133 PolarHBondContact O-N 2.77Å; T131-K135 VanDerWaalsContact O-CB 3.26Å; T131-K135 WeakPolarHBondContact O-CB 3.04Å; T131-K135 PolarHBondContact O-N 3.39Å |
| 132 | A | 94.9 | Very high | 96 | Very high | 5 Ų | 5 | 38 Ų | 38 | 4% | 0.041 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.2 | -45.1 | 176 | 0 | 0 | 0 | 0 | 0 | 111.6 | L91 L128 I129 K130 S136 | L91-A132 HydrophobicContact CD1-CB 4.19Å; L128-A132 WeakPolarHBondContact O-CB 3.16Å; L128-A132 PolarHBondContact O-N 2.84Å; I129-A132 PolarHBondContact O-N 3.3Å; K130-A132 VanDerWaalsContact C-N 3.35Å; K130-A132 PolarHBondContact O-N 2.76Å; A132-S136 WeakPolarHBondContact O-CB 3.22Å; A132-S136 PolarHBondContact O-N 3.23Å; A132-S136 VanDerWaalsContact O-N 3.1Å |
| 133 | T | 94.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -79.6 | -32 | 180 | 53.8 | 0 | 0 | 0 | 0 | 113.7 | I129 K130 T131 K135 G137 Y140 G165 | I129-T133 PolarHBondContact O-N 3.01Å; I129-T133 PolarHBondContact O-OG1 3.18Å; I129-T133 VanDerWaalsContact O-OG1 3.13Å; K130-T133 PolarHBondContact O-N 2.83Å; K130-T133 PolarHBondContact O-OG1 2.89Å; T131-T133 VanDerWaalsContact C-N 3.34Å; T131-T133 PolarHBondContact O-N 2.77Å; T133-K135 VanDerWaalsContact C-N 3.34Å; T133-G137 WeakPolarHBondContact O-CA 3.44Å; T133-G137 PolarHBondContact O-N 2.74Å; T133-Y140 HydrophobicContact CG2-CD2 4.32Å; T133-Y140 HydrophobicContact CG2-CG 4.25Å; T133-G165 WeakPolarHBondContact OG1-CA 3.43Å; T133-G165 PolarHBondContact OG1-N 3.48Å |
| 134 | T | 95.1 | Very high | 96.2 | Very high | 67 Ų | 67 | 38.7 Ų | 38.7 | 41% | 0.411 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -61.6 | -43.7 | 170.3 | -56.4 | 0 | 0 | 0 | 0 | 110.8 | K130 G165 Y194 | K130-T134 PolarHBondContact O-N 2.74Å; K130-T134 PolarHBondContact O-OG1 2.79Å; T134-G165 WeakPolarHBondContact OG1-CA 3.28Å; T134-Y194 PolarHBondContact O-OH 3.46Å |
| 135 | K | 90.9 | Very high | 96.3 | Very high | 128 Ų | 128 | 36.9 Ų | 36.9 | 56% | 0.557 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -73.9 | -44.2 | -175.8 | -177.8 | -179.3 | 175.9 | -174.3 | 0 | 112.7 | T131 T133 | T131-K135 VanDerWaalsContact O-CB 3.26Å; T131-K135 WeakPolarHBondContact O-CB 3.04Å; T131-K135 PolarHBondContact O-N 3.39Å; T133-K135 VanDerWaalsContact C-N 3.34Å |
| 136 | S | 89.5 | Confident | 96.4 | Very high | 14 Ų | 14 | 38.2 Ų | 38.2 | 10% | 0.098 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -98.2 | -13.1 | -172.8 | -68.6 | 0 | 0 | 0 | 0 | 113.7 | A132 R195 | A132-S136 WeakPolarHBondContact O-CB 3.22Å; A132-S136 PolarHBondContact O-N 3.23Å; A132-S136 VanDerWaalsContact O-N 3.1Å; S136-R195 PolarHBondContact O-NE 2.92Å; S136-R195 PolarHBondContact O-NH2 2.96Å |
| 137 | G | 94 | Very high | 96.5 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.204 | C | C | . | . | trans | 61.8 | 165.2 | -160.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | T133 N164 R195 | T133-G137 WeakPolarHBondContact O-CA 3.44Å; T133-G137 PolarHBondContact O-N 2.74Å; G137-N164 WeakPolarHBondContact CA-OD1 3.46Å; G137-R195 PolarHBondContact O-NH2 3.05Å | ||
| 138 | G | 96.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 19% | 0.185 | C | C | . | . | S | Bend | trans | 111.6 | 174.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | E107 I163 N164 | E107-G138 CarbonylContact O-C 3.56Å; E107-G138 VanDerWaalsContact O-CA 3.28Å; E107-G138 WeakPolarHBondContact O-CA 3.28Å; G138-I163 WeakPolarHBondContact O-CA 3.48Å; G138-N164 PolarHBondContact N-OD1 3.22Å; G138-N164 PolarHBondContact O-N 2.9Å; G138-N164 VanDerWaalsContact O-N 3.07Å |
| 139 | I | 98.6 | Very high | 96.5 | Very high | 11 Ų | 11 | 34.8 Ų | 34.8 | 6% | 0.056 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 133.7 | -179.4 | -58.1 | 167.8 | 0 | 0 | 0 | 108.5 | E107 I108 F109 L141 V161 A162 I163 L186 L188 V191 | E107-I139 PolarHBondContact O-N 3.39Å; I108-I139 CarbonylContact C-O 3.13Å; I108-I139 WeakPolarHBondContact CA-O 3.3Å; I108-I139 HydrophobicContact CG1-CB 4.37Å; I108-I139 HydrophobicContact CG1-CD1 4.34Å; F109-I139 WeakPolarHBondContact CD2-O 3.47Å; F109-I139 PolarHBondContact N-O 3.02Å; I139-L141 HydrophobicContact CG2-CD1 3.79Å; I139-V161 HydrophobicContact CG2-CG1 4.06Å; I139-A162 CarbonylContact C-O 3.48Å; I139-A162 VanDerWaalsContact CA-O 3.28Å; I139-A162 WeakPolarHBondContact CA-O 3.42Å; I139-I163 HydrophobicContact CD1-CD1 4.42Å; I139-I163 HydrophobicContact CG1-CB 4.29Å; I139-I163 HydrophobicContact CG1-CD1 3.92Å; I139-I163 HydrophobicContact CG1-CG1 3.95Å; I139-L186 HydrophobicContact CD1-CB 4.08Å; I139-L186 HydrophobicContact CD1-CD1 3.95Å; I139-L186 HydrophobicContact CG1-CD1 4Å; I139-L186 HydrophobicContact CG2-CD1 3.76Å; I139-L188 HydrophobicContact CD1-CD2 3.96Å; I139-V191 HydrophobicContact CD1-CG2 4.35Å; I139-V191 HydrophobicContact CG1-CG2 3.92Å |
| 140 | Y | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 117.2 | 178.2 | -159.6 | -72.1 | 0 | 0 | 0 | 110.1 | E86 L91 F109 N111 I129 T133 V161 A162 | E86-Y140 PolarHBondContact OE1-OH 3.09Å; L91-Y140 HydrophobicContact CD1-CE2 4.23Å; F109-Y140 HydrophobicContact CB-CD2 3.62Å; F109-Y140 HydrophobicContact CB-CE2 3.94Å; F109-Y140 HydrophobicContact CB-CG 4.23Å; F109-Y140 HydrophobicContact CD2-CD2 4.04Å; F109-Y140 HydrophobicContact CG-CD2 4.14Å; F109-Y140 WeakPolarHBondContact O-CA 3.23Å; N111-Y140 HydrophobicContact CB-CE1 3.51Å; N111-Y140 VanDerWaalsContact CB-OH 3.22Å; N111-Y140 WeakPolarHBondContact CB-OH 3.49Å; N111-Y140 PolarHBondContact ND2-OH 2.93Å; I129-Y140 HydrophobicContact CG1-CD1 4.3Å; I129-Y140 HydrophobicContact CG1-CE1 4.07Å; I129-Y140 HydrophobicContact CG2-CD1 3.71Å; I129-Y140 HydrophobicContact CG2-CE1 4.33Å; I129-Y140 HydrophobicContact CG2-CG 4Å; T133-Y140 HydrophobicContact CG2-CD2 4.32Å; T133-Y140 HydrophobicContact CG2-CG 4.25Å; Y140-V161 WeakPolarHBondContact O-CA 3.4Å; Y140-A162 PolarHBondContact N-O 2.87Å; Y140-A162 PolarHBondContact O-N 2.85Å |
| 141 | L | 98.6 | Very high | 96.5 | Very high | 69 Ų | 69 | 37.2 Ų | 37.2 | 36% | 0.361 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 118.6 | 176.2 | -66.6 | 87.1 | 0 | 0 | 0 | 108.5 | I108 F109 T110 N111 I139 | I108-L141 HydrophobicContact CG2-CD1 3.35Å; F109-L141 PolarHBondContact O-N 3.33Å; T110-L141 HydrophobicContact CG2-CB 4.45Å; T110-L141 HydrophobicContact CG2-CD1 4.45Å; N111-L141 PolarHBondContact N-O 2.54Å; I139-L141 HydrophobicContact CG2-CD1 3.79Å |
| 142 | Y | 98.6 | Very high | 96.6 | Very high | 7 Ų | 7 | 33.9 Ų | 33.9 | 3% | 0.027 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 125.1 | 175.9 | 179.7 | -92.4 | 0 | 0 | 0 | 109.9 | N111 S113 R125 I129 N144 C158 A159 M160 | N111-Y142 HydrophobicContact CB-CD2 4.18Å; N111-Y142 WeakPolarHBondContact O-CA 3.07Å; S113-Y142 WeakPolarHBondContact CB-OH 3.5Å; S113-Y142 WeakPolarHBondContact OG-CE2 3.47Å; S113-Y142 PolarHBondContact OG-OH 2.97Å; R125-Y142 WeakPolarHBondContact CD-OH 3.43Å; I129-Y142 HydrophobicContact CD1-CD1 4.33Å; I129-Y142 HydrophobicContact CD1-CD2 3.7Å; I129-Y142 HydrophobicContact CD1-CE2 4.38Å; I129-Y142 HydrophobicContact CD1-CG 3.67Å; Y142-N144 HydrophobicContact CE1-CB 3.64Å; Y142-C158 VanDerWaalsContact CD1-O 3.28Å; Y142-C158 WeakPolarHBondContact CD1-O 3.16Å; Y142-A159 CarbonylContact O-C 3.31Å; Y142-A159 WeakPolarHBondContact O-CA 3.44Å; Y142-M160 HydrophobicContact CD1-CE 4.35Å; Y142-M160 PolarHBondContact N-O 2.8Å; Y142-M160 PolarHBondContact O-N 3.45Å |
| 143 | A | 98.4 | Very high | 96.8 | Very high | 54 Ų | 54 | 33.8 Ų | 33.8 | 45% | 0.446 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 139.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | N111 S112 S113 | N111-A143 PolarHBondContact O-N 2.83Å; S112-A143 CarbonylContact C-O 3.49Å; S112-A143 WeakPolarHBondContact CA-O 3.28Å; S113-A143 PolarHBondContact N-O 3.2Å |
| 144 | N | 98.3 | Very high | 97 | Very high | 26 Ų | 26 | 33.8 Ų | 33.8 | 14% | 0.139 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 155.1 | -179.8 | -169.6 | 29.1 | 0 | 0 | 0 | 110.2 | S113 A114 S115 R125 Y142 D156 G157 | S113-N144 WeakPolarHBondContact O-CA 3.29Å; S113-N144 PolarHBondContact O-OD1 3.23Å; S113-N144 VanDerWaalsContact O-OD1 3.06Å; A114-N144 VanDerWaalsContact CA-OD1 3.25Å; A114-N144 WeakPolarHBondContact CA-OD1 3.3Å; A114-N144 PolarHBondContact N-OD1 2.82Å; S115-N144 PolarHBondContact N-OD1 2.68Å; S115-N144 PolarHBondContact O-ND2 3.39Å; R125-N144 PolarHBondContact NH1-ND2 3.01Å; Y142-N144 HydrophobicContact CE1-CB 3.64Å; N144-D156 PolarHBondContact ND2-OD1 3.28Å; N144-G157 WeakPolarHBondContact CB-O 3.18Å; N144-G157 PolarHBondContact ND2-N 3.46Å; N144-G157 PolarHBondContact ND2-O 3.29Å |
| 145 | Q | 98.1 | Very high | 97.2 | Very high | 71 Ų | 71 | 31.7 Ų | 31.7 | 33% | 0.332 | 18% | 0.179 | S | C | . | . | trans | -62.6 | 149.2 | 166.4 | -169.4 | 167.6 | -5.3 | 0 | 0 | 110.2 | S113 D149 Y155 G157 | S113-Q145 PolarHBondContact O-N 2.7Å; Q145-D149 PolarHBondContact NE2-OD2 3.22Å; Q145-D149 VanDerWaalsContact NE2-OD2 3.1Å; Q145-Y155 HydrophobicContact CB-CD1 4.15Å; Q145-Y155 HydrophobicContact CB-CG 3.98Å; Q145-Y155 HydrophobicContact CG-CD2 4.22Å; Q145-Y155 HydrophobicContact CG-CG 4.02Å; Q145-Y155 WeakPolarHBondContact O-CB 3.17Å; Q145-G157 WeakPolarHBondContact O-CA 3.34Å; Q145-G157 PolarHBondContact O-N 2.71Å | ||
| 146 | R | 98.1 | Very high | 97.5 | Very high | 44 Ų | 44 | 25.6 Ų | 25.6 | 17% | 0.166 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 138.5 | 172.7 | -167.2 | 175.1 | 67 | -171.9 | 7 | 109.9 | Y155 S175 D177 E180 | R146-Y155 CarbonylContact C-O 3.57Å; R146-Y155 WeakPolarHBondContact CA-O 3.21Å; R146-S175 VanDerWaalsContact CZ-CB 3.46Å; R146-S175 PolarHBondContact NH2-OG 2.79Å; R146-S175 VanDerWaalsContact NH2-OG 3.12Å; R146-D177 VanDerWaalsContact NH2-CB 3.34Å; R146-D177 PolarHBondContact NH2-O 3.41Å; R146-D177 IonicContact NH2-OD2 2.97Å; R146-E180 IonicContact CZ-OE2 2.84Å; R146-E180 IonicContact NH1-OE1 3.36Å; R146-E180 PolarHBondContact NH1-OE1 3.1Å; R146-E180 IonicContact NH1-OE2 3.66Å; R146-E180 PolarHBondContact NH1-OE2 3.48Å |
| 147 | G | 98.3 | Very high | 97.8 | Very high | 3 Ų | 3 | 25 Ų | 25 | 3% | 0.031 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 104.2 | 177.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y154 Y155 D254 | G147-Y154 VanDerWaalsContact CA-CE2 3.4Å; G147-Y155 PolarHBondContact N-O 3.41Å; G147-Y155 WeakPolarHBondContact O-CD2 3.49Å; G147-Y155 PolarHBondContact O-N 2.92Å; G147-D254 WeakPolarHBondContact CA-OD2 3.4Å |
| 148 | C | 98.3 | Very high | 97.9 | Very high | 5 Ų | 5 | 25.1 Ų | 25.1 | 3% | 0.034 | 15% | 0.15 | C | C | . | . | trans | -79.5 | 146.3 | 164.8 | 176.5 | 0 | 0 | 0 | 0 | 109.1 | D151 D254 Y255 R258 | C148-D151 PolarHBondContact SG-O 2.85Å; C148-D254 HydrophobicContact CB-CB 3.67Å; C148-D254 PolarHBondContact N-OD2 3.49Å; C148-Y255 WeakPolarHBondContact SG-CE2 3.38Å; C148-R258 PolarHBondContact O-NH1 3.38Å; C148-R258 PolarHBondContact O-NH2 3.03Å | ||
| 149 | D | 97.4 | Very high | 98 | Very high | 73 Ų | 73 | 26 Ų | 26 | 39% | 0.39 | 16% | 0.158 | S | C | . | . | trans | -121.5 | 10.1 | 178.4 | 75.9 | -15.4 | 0 | 0 | 0 | 114.8 | Q145 Y155 | Q145-D149 PolarHBondContact NE2-OD2 3.22Å; Q145-D149 VanDerWaalsContact NE2-OD2 3.1Å; D149-Y155 HydrophobicContact CB-CE2 4.33Å; D149-Y155 WeakPolarHBondContact OD1-CE2 3.42Å; D149-Y155 WeakPolarHBondContact OD2-CE2 3.1Å | ||
| 150 | G | 96.9 | Very high | 97.9 | Very high | 67 Ų | 67 | 25.6 Ų | 25.6 | 69% | 0.691 | 16% | 0.156 | S | C | * | . | S | Bend | trans | 127.8 | 7.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 151 | D | 97.4 | Very high | 97.9 | Very high | 49 Ų | 49 | 26.2 Ų | 26.2 | 26% | 0.262 | 16% | 0.159 | S | C | . | . | S | Bend | trans | -137.4 | -158.3 | 175.2 | 84.5 | -2.1 | 0 | 0 | 0 | 113 | C148 L153 W251 Y255 | C148-D151 PolarHBondContact SG-O 2.85Å; D151-L153 VanDerWaalsContact C-N 3.28Å; D151-L153 PolarHBondContact O-N 2.85Å; D151-L153 VanDerWaalsContact OD1-CB 3.3Å; D151-L153 WeakPolarHBondContact OD1-CB 3.43Å; D151-L153 WeakPolarHBondContact OD1-CG 3.49Å; D151-L153 PolarHBondContact OD1-N 3.46Å; D151-W251 PolarHBondContact O-NE1 3Å; D151-Y255 WeakPolarHBondContact O-CE2 3.42Å; D151-Y255 PolarHBondContact O-OH 3.12Å |
| 152 | R | 97.8 | Very high | 97.9 | Very high | 18 Ų | 18 | 22.9 Ų | 22.9 | 7% | 0.068 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -80 | -7.2 | -175.7 | 69.1 | 174.9 | 61.4 | -150.1 | 7.7 | 114.9 | S568 H570 D577 N579 | R152-S568 WeakPolarHBondContact CB-O 3.05Å; R152-H570 PolarHBondContact O-N 3.43Å; R152-D577 VanDerWaalsContact CZ-CG 3.43Å; R152-D577 IonicContact CZ-OD1 2.71Å; R152-D577 IonicContact CZ-OD2 2.74Å; R152-D577 IonicContact NH1-OD1 3.58Å; R152-D577 PolarHBondContact NH1-OD1 3.44Å; R152-D577 IonicContact NH1-OD2 3.59Å; R152-D577 PolarHBondContact NH1-OD2 2.84Å; R152-D577 IonicContact NH2-OD2 2.93Å; R152-D577 PolarHBondContact NH2-OD2 3.46Å; R152-D577 VanDerWaalsContact NH2-OD2 3.09Å; R152-N579 PolarHBondContact NH2-ND2 3.28Å |
| 153 | L | 98.5 | Very high | 97.9 | Very high | 3 Ų | 3 | 23.3 Ų | 23.3 | 2% | 0.016 | 14% | 0.144 | C | C | . | . | trans | -86.5 | 146.9 | -179.8 | -57.7 | -177.4 | 0 | 0 | 0 | 109.9 | T35 H116 D151 Y155 H570 | T35-L153 HydrophobicContact CG2-CD1 3.63Å; T35-L153 HydrophobicContact CG2-CD2 4.02Å; T35-L153 HydrophobicContact CG2-CG 4.15Å; H116-L153 HydrophobicContact CB-CB 4.02Å; H116-L153 HydrophobicContact CB-CD1 4.03Å; H116-L153 HydrophobicContact CB-CD2 4.2Å; H116-L153 HydrophobicContact CB-CG 4.32Å; D151-L153 VanDerWaalsContact C-N 3.28Å; D151-L153 PolarHBondContact O-N 2.85Å; D151-L153 VanDerWaalsContact OD1-CB 3.3Å; D151-L153 WeakPolarHBondContact OD1-CB 3.43Å; D151-L153 WeakPolarHBondContact OD1-CG 3.49Å; D151-L153 PolarHBondContact OD1-N 3.46Å; L153-Y155 HydrophobicContact CB-CE2 4.24Å; L153-H570 HydrophobicContact CD2-CB 3.61Å | ||
| 154 | Y | 98.7 | Very high | 97.8 | Very high | 1 Ų | 1 | 21.9 Ų | 21.9 | 0% | 0.004 | 13% | 0.129 | C | C | . | . | trans | -113.8 | 129.2 | 162.4 | -176.6 | -90.4 | 0 | 0 | 0 | 107.5 | H116 H117 G147 D156 F174 C250 W251 Y569 | H116-Y154 CarbonylContact C-O 3.6Å; H116-Y154 WeakPolarHBondContact CA-O 3.48Å; H117-Y154 HydrophobicContact CB-CD1 4.4Å; H117-Y154 WeakPolarHBondContact CB-O 3.07Å; H117-Y154 PolarHBondContact N-O 3.16Å; G147-Y154 VanDerWaalsContact CA-CE2 3.4Å; Y154-D156 HydrophobicContact CD1-CB 4.49Å; Y154-F174 HydrophobicContact CD1-CD1 4.09Å; Y154-F174 HydrophobicContact CD1-CE1 4.17Å; Y154-F174 AromaticContact CE1-CD1 3.46Å; Y154-F174 HydrophobicContact CE1-CD1 3.46Å; Y154-F174 VanDerWaalsContact CE1-CD1 3.46Å; Y154-F174 AromaticContact CE1-CE1 3.98Å; Y154-F174 HydrophobicContact CE1-CE1 3.98Å; Y154-C250 HydrophobicContact CD2-CB 4.43Å; Y154-C250 HydrophobicContact CE2-CB 3.42Å; Y154-C250 VanDerWaalsContact CE2-CB 3.42Å; Y154-C250 WeakPolarHBondContact OH-CB 3.29Å; Y154-W251 HydrophobicContact CD2-CB 3.76Å; Y154-W251 HydrophobicContact CD2-CG 4.48Å; Y154-W251 HydrophobicContact CG-CB 4.36Å; Y154-Y569 HydrophobicContact CG-CE2 4.1Å | ||
| 155 | Y | 98.7 | Very high | 97.7 | Very high | 22 Ų | 22 | 20.7 Ų | 20.7 | 9% | 0.086 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 128.9 | 173 | -61.4 | -95.4 | 0 | 0 | 0 | 108.5 | A114 H116 Q145 R146 G147 D149 L153 | A114-Y155 HydrophobicContact CB-CD1 4.22Å; A114-Y155 HydrophobicContact CB-CE1 3.79Å; A114-Y155 VanDerWaalsContact O-CE1 3.31Å; A114-Y155 WeakPolarHBondContact O-CE1 3.4Å; H116-Y155 HydrophobicContact CB-CD1 4.37Å; H116-Y155 HydrophobicContact CB-CE1 4.41Å; Q145-Y155 HydrophobicContact CB-CD1 4.15Å; Q145-Y155 HydrophobicContact CB-CG 3.98Å; Q145-Y155 HydrophobicContact CG-CD2 4.22Å; Q145-Y155 HydrophobicContact CG-CG 4.02Å; Q145-Y155 WeakPolarHBondContact O-CB 3.17Å; R146-Y155 CarbonylContact C-O 3.57Å; R146-Y155 WeakPolarHBondContact CA-O 3.21Å; G147-Y155 PolarHBondContact N-O 3.41Å; G147-Y155 WeakPolarHBondContact O-CD2 3.49Å; G147-Y155 PolarHBondContact O-N 2.92Å; D149-Y155 HydrophobicContact CB-CE2 4.33Å; D149-Y155 WeakPolarHBondContact OD1-CE2 3.42Å; D149-Y155 WeakPolarHBondContact OD2-CE2 3.1Å; L153-Y155 HydrophobicContact CB-CE2 4.24Å |
| 156 | D | 97.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 21.2 | -165.9 | 65.3 | -6.1 | 0 | 0 | 0 | 113.4 | H117 R125 N144 Y154 C158 Q173 F174 | H117-D156 HydrophobicContact CB-CB 3.97Å; H117-D156 IonicContact CD2-OD2 3.3Å; R125-D156 IonicContact CZ-OD1 3.88Å; R125-D156 IonicContact CZ-OD2 3.65Å; R125-D156 IonicContact NH1-OD1 2.7Å; R125-D156 PolarHBondContact NH1-OD1 3.15Å; R125-D156 IonicContact NH1-OD2 3.62Å; R125-D156 VanDerWaalsContact NH2-CG 3.33Å; R125-D156 IonicContact NH2-OD1 4Å; R125-D156 PolarHBondContact NH2-OD1 3.37Å; R125-D156 IonicContact NH2-OD2 3.74Å; R125-D156 PolarHBondContact NH2-OD2 3.35Å; R125-D156 VanDerWaalsContact NH2-OD2 3.12Å; N144-D156 PolarHBondContact ND2-OD1 3.28Å; Y154-D156 HydrophobicContact CD1-CB 4.49Å; D156-C158 PolarHBondContact O-N 3.04Å; D156-C158 PolarHBondContact O-SG 3.15Å; D156-Q173 CarbonylContact C-O 3.54Å; D156-Q173 VanDerWaalsContact CA-O 3.3Å; D156-Q173 WeakPolarHBondContact CA-O 3.41Å; D156-Q173 HydrophobicContact CB-CG 3.87Å; D156-Q173 CarbonylContact O-C 3.56Å; D156-Q173 WeakPolarHBondContact O-CA 3.37Å; D156-F174 HydrophobicContact CB-CE1 4.24Å |
| 157 | G | 95.6 | Very high | 97.7 | Very high | 3 Ų | 3 | 19.6 Ų | 19.6 | 3% | 0.031 | 12% | 0.12 | C | C | . | . | trans | 53.7 | -112.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | R125 N144 Q145 A159 | R125-G157 PolarHBondContact NH1-O 2.86Å; N144-G157 WeakPolarHBondContact CB-O 3.18Å; N144-G157 PolarHBondContact ND2-N 3.46Å; N144-G157 PolarHBondContact ND2-O 3.29Å; Q145-G157 WeakPolarHBondContact O-CA 3.34Å; Q145-G157 PolarHBondContact O-N 2.71Å; G157-A159 VanDerWaalsContact C-N 3.31Å | ||
| 158 | C | 97.3 | Very high | 97.7 | Very high | 1 Ų | 1 | 19.7 Ų | 19.7 | 1% | 0.007 | 12% | 0.12 | C | C | . | . | trans | 58.4 | 43 | -170.2 | -63.1 | 0 | 0 | 0 | 0 | 111.4 | Y142 D156 M160 A172 Q173 W235 | Y142-C158 VanDerWaalsContact CD1-O 3.28Å; Y142-C158 WeakPolarHBondContact CD1-O 3.16Å; D156-C158 PolarHBondContact O-N 3.04Å; D156-C158 PolarHBondContact O-SG 3.15Å; C158-M160 HydrophobicContact CB-CE 4.31Å; C158-M160 WeakPolarHBondContact O-CE 3.43Å; C158-M160 PolarHBondContact O-N 3.02Å; C158-A172 PolarHBondContact N-O 2.7Å; C158-Q173 VanDerWaalsContact SG-CB 3.55Å; C158-Q173 VanDerWaalsContact SG-CG 3.55Å; C158-W235 HydrophobicContact CB-CH2 4.02Å; C158-W235 HydrophobicContact CB-CZ2 4.11Å | ||
| 159 | A | 97.8 | Very high | 97.7 | Very high | 20 Ų | 20 | 19.9 Ų | 19.9 | 17% | 0.165 | 12% | 0.122 | C | C | . | . | trans | -56.1 | 139.5 | 169.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | Y142 G157 R170 G171 I182 | Y142-A159 CarbonylContact O-C 3.31Å; Y142-A159 WeakPolarHBondContact O-CA 3.44Å; G157-A159 VanDerWaalsContact C-N 3.31Å; A159-R170 CarbonylContact O-C 3.44Å; A159-R170 WeakPolarHBondContact O-CA 3.42Å; A159-G171 PolarHBondContact O-N 2.71Å; A159-I182 HydrophobicContact CB-CG1 4.28Å | ||
| 160 | M | 97.9 | Very high | 97.6 | Very high | 2 Ų | 2 | 21 Ų | 21 | 1% | 0.01 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 155.6 | -177.9 | 67.1 | -173.2 | 83.7 | 0 | 0 | 112.3 | V126 I129 Y142 C158 V167 A169 W235 | V126-M160 HydrophobicContact CG2-CE 3.81Å; V126-M160 HydrophobicContact CG2-SD 4.33Å; I129-M160 HydrophobicContact CB-SD 4.35Å; I129-M160 HydrophobicContact CD1-CE 3.87Å; I129-M160 HydrophobicContact CD1-CG 4.07Å; I129-M160 HydrophobicContact CD1-SD 3.55Å; I129-M160 VanDerWaalsContact CD1-SD 3.55Å; I129-M160 HydrophobicContact CG2-SD 4.29Å; Y142-M160 HydrophobicContact CD1-CE 4.35Å; Y142-M160 PolarHBondContact N-O 2.8Å; Y142-M160 PolarHBondContact O-N 3.45Å; C158-M160 HydrophobicContact CB-CE 4.31Å; C158-M160 WeakPolarHBondContact O-CE 3.43Å; C158-M160 PolarHBondContact O-N 3.02Å; M160-V167 HydrophobicContact CB-CG1 4.46Å; M160-A169 VanDerWaalsContact CA-O 3.23Å; M160-A169 WeakPolarHBondContact CA-O 3.21Å; M160-A169 WeakPolarHBondContact CB-O 3.21Å; M160-W235 HydrophobicContact CB-CH2 4.47Å; M160-W235 HydrophobicContact CB-CZ3 3.96Å; M160-W235 HydrophobicContact CE-CH2 3.59Å; M160-W235 HydrophobicContact CE-CZ2 4.5Å; M160-W235 HydrophobicContact CE-CZ3 3.72Å; M160-W235 HydrophobicContact SD-CH2 4.38Å; M160-W235 HydrophobicContact SD-CZ3 3.9Å |
| 161 | V | 98.6 | Very high | 97.7 | Very high | 12 Ų | 12 | 18.2 Ų | 18.2 | 7% | 0.073 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 127.7 | 168.4 | -173.8 | 0 | 0 | 0 | 0 | 107.6 | I139 Y140 V168 A169 A184 L186 | I139-V161 HydrophobicContact CG2-CG1 4.06Å; Y140-V161 WeakPolarHBondContact O-CA 3.4Å; V161-V168 HydrophobicContact CB-CG2 3.88Å; V161-V168 HydrophobicContact CG1-CG2 3.79Å; V161-V168 VanDerWaalsContact O-CG2 3.25Å; V161-V168 WeakPolarHBondContact O-CG2 3.02Å; V161-V168 PolarHBondContact O-N 3.32Å; V161-A169 HydrophobicContact CB-CB 4.25Å; V161-A169 HydrophobicContact CG2-CB 4.37Å; V161-A169 PolarHBondContact N-O 2.87Å; V161-A169 PolarHBondContact O-N 3.3Å; V161-A184 HydrophobicContact CB-CB 4.09Å; V161-A184 HydrophobicContact CG1-CB 3.98Å; V161-A184 HydrophobicContact CG2-CB 4.22Å; V161-L186 HydrophobicContact CG1-CD1 3.82Å |
| 162 | A | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 149.9 | 175 | 0 | 0 | 0 | 0 | 0 | 110.5 | I129 I139 Y140 E166 V167 | I129-A162 HydrophobicContact CG2-CB 3.87Å; I139-A162 CarbonylContact C-O 3.48Å; I139-A162 VanDerWaalsContact CA-O 3.28Å; I139-A162 WeakPolarHBondContact CA-O 3.42Å; Y140-A162 PolarHBondContact N-O 2.87Å; Y140-A162 PolarHBondContact O-N 2.85Å; A162-E166 CarbonylContact C-O 3.39Å; A162-E166 WeakPolarHBondContact CA-O 3.38Å; A162-E166 WeakPolarHBondContact CB-O 3.21Å; A162-V167 HydrophobicContact CB-CG2 4.5Å |
| 163 | I | 98.1 | Very high | 97.7 | Very high | 15 Ų | 15 | 17 Ų | 17 | 8% | 0.077 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 128.4 | 174.3 | -175.6 | 172.2 | 0 | 0 | 0 | 108.8 | G138 I139 G165 E166 V168 L186 D190 V191 | G138-I163 WeakPolarHBondContact O-CA 3.48Å; I139-I163 HydrophobicContact CD1-CD1 4.42Å; I139-I163 HydrophobicContact CG1-CB 4.29Å; I139-I163 HydrophobicContact CG1-CD1 3.92Å; I139-I163 HydrophobicContact CG1-CG1 3.95Å; I163-G165 PolarHBondContact O-N 3.45Å; I163-E166 PolarHBondContact N-O 3.06Å; I163-E166 PolarHBondContact O-N 3.27Å; I163-V168 HydrophobicContact CG2-CG1 3.71Å; I163-L186 HydrophobicContact CB-CD1 4.27Å; I163-L186 HydrophobicContact CD1-CB 4.37Å; I163-L186 HydrophobicContact CD1-CD1 4.41Å; I163-L186 HydrophobicContact CG2-CD2 4.27Å; I163-D190 HydrophobicContact CD1-CB 4.14Å; I163-V191 HydrophobicContact CD1-CG2 4.05Å; I163-V191 HydrophobicContact CG1-CG2 4.19Å |
| 164 | N | 96.8 | Very high | 97.7 | Very high | 24 Ų | 24 | 17.7 Ų | 17.7 | 13% | 0.128 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.6 | 35.4 | 172 | -60.2 | -22.1 | 0 | 0 | 0 | 115.2 | G137 G138 D190 Y194 | G137-N164 WeakPolarHBondContact CA-OD1 3.46Å; G138-N164 PolarHBondContact N-OD1 3.22Å; G138-N164 PolarHBondContact O-N 2.9Å; G138-N164 VanDerWaalsContact O-N 3.07Å; N164-D190 PolarHBondContact ND2-O 3.09Å; N164-Y194 HydrophobicContact CB-CD1 3.94Å; N164-Y194 HydrophobicContact CB-CD2 3.78Å; N164-Y194 HydrophobicContact CB-CE1 4.09Å; N164-Y194 HydrophobicContact CB-CE2 3.92Å; N164-Y194 HydrophobicContact CB-CG 3.78Å; N164-Y194 VanDerWaalsContact CG-CG 3.49Å; N164-Y194 VanDerWaalsContact ND2-CB 3.27Å; N164-Y194 WeakPolarHBondContact ND2-CB 3.36Å |
| 165 | G | 96.3 | Very high | 97.6 | Very high | 2 Ų | 2 | 18.9 Ų | 18.9 | 2% | 0.021 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 96.6 | -9.2 | -180 | 0 | 0 | 0 | 0 | 0 | 115.7 | K130 T133 T134 I163 | K130-G165 WeakPolarHBondContact CE-O 3.19Å; T133-G165 WeakPolarHBondContact OG1-CA 3.43Å; T133-G165 PolarHBondContact OG1-N 3.48Å; T134-G165 WeakPolarHBondContact OG1-CA 3.28Å; I163-G165 PolarHBondContact O-N 3.45Å |
| 166 | E | 97.7 | Very high | 97.6 | Very high | 88 Ų | 88 | 18.7 Ų | 18.7 | 41% | 0.411 | 10% | 0.103 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 142.9 | -179.9 | -66.4 | -54 | 146.8 | 0 | 0 | 112.2 | K130 A162 I163 P232 | K130-E166 IonicContact NZ-OE2 2.73Å; A162-E166 CarbonylContact C-O 3.39Å; A162-E166 WeakPolarHBondContact CA-O 3.38Å; A162-E166 WeakPolarHBondContact CB-O 3.21Å; I163-E166 PolarHBondContact N-O 3.06Å; I163-E166 PolarHBondContact O-N 3.27Å; E166-P232 HydrophobicContact CB-CB 4.03Å; E166-P232 HydrophobicContact CB-CG 4.08Å; E166-P232 HydrophobicContact CG-CB 4.28Å; E166-P232 HydrophobicContact CG-CG 4.25Å |
| 167 | V | 98.1 | Very high | 97.6 | Very high | 3 Ų | 3 | 21.8 Ų | 21.8 | 2% | 0.018 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 131.4 | 173 | 179.6 | 0 | 0 | 0 | 0 | 108 | V126 K130 M160 A162 A169 P232 I233 W235 | V126-V167 HydrophobicContact CG1-CG2 4.36Å; K130-V167 HydrophobicContact CD-CG2 4.26Å; K130-V167 HydrophobicContact CG-CG2 4.04Å; M160-V167 HydrophobicContact CB-CG1 4.46Å; A162-V167 HydrophobicContact CB-CG2 4.5Å; V167-A169 WeakPolarHBondContact CG1-O 3.38Å; V167-P232 WeakPolarHBondContact O-CA 3.17Å; V167-I233 HydrophobicContact CB-CG1 4.48Å; V167-I233 HydrophobicContact CG1-CD1 4.31Å; V167-I233 HydrophobicContact CG1-CG1 4.14Å; V167-I233 VanDerWaalsContact O-CG1 3.31Å; V167-I233 WeakPolarHBondContact O-CG1 3.23Å; V167-I233 PolarHBondContact O-N 3.08Å; V167-W235 HydrophobicContact CG1-CE3 4.09Å; V167-W235 HydrophobicContact CG1-CZ3 4.25Å; V167-W235 HydrophobicContact CG2-CE3 4.48Å |
| 168 | V | 98.1 | Very high | 97.5 | Very high | 6 Ų | 6 | 26.1 Ų | 26.1 | 4% | 0.036 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | -20.9 | -177.7 | -68.3 | 0 | 0 | 0 | 0 | 112.7 | V161 I163 A184 L186 H230 | V161-V168 HydrophobicContact CB-CG2 3.88Å; V161-V168 HydrophobicContact CG1-CG2 3.79Å; V161-V168 VanDerWaalsContact O-CG2 3.25Å; V161-V168 WeakPolarHBondContact O-CG2 3.02Å; V161-V168 PolarHBondContact O-N 3.32Å; I163-V168 HydrophobicContact CG2-CG1 3.71Å; V168-A184 HydrophobicContact CG2-CB 3.97Å; V168-L186 HydrophobicContact CB-CD2 4.34Å; V168-L186 HydrophobicContact CG1-CD2 4.18Å; V168-L186 HydrophobicContact CG2-CD1 4.23Å; V168-L186 HydrophobicContact CG2-CD2 3.96Å; V168-H230 HydrophobicContact CB-CB 4.21Å |
| 169 | A | 97.8 | Very high | 97.5 | Very high | 9 Ų | 9 | 31.7 Ų | 31.7 | 7% | 0.074 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 144.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | M160 V161 V167 I182 A184 | M160-A169 VanDerWaalsContact CA-O 3.23Å; M160-A169 WeakPolarHBondContact CA-O 3.21Å; M160-A169 WeakPolarHBondContact CB-O 3.21Å; V161-A169 HydrophobicContact CB-CB 4.25Å; V161-A169 HydrophobicContact CG2-CB 4.37Å; V161-A169 PolarHBondContact N-O 2.87Å; V161-A169 PolarHBondContact O-N 3.3Å; V167-A169 WeakPolarHBondContact CG1-O 3.38Å; A169-I182 HydrophobicContact CB-CG2 3.34Å; A169-A184 HydrophobicContact CB-CB 4.23Å |
| 170 | R | 96.9 | Very high | 97.5 | Very high | 97 Ų | 97 | 34.1 Ų | 34.1 | 37% | 0.366 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 143.8 | -180 | 70.3 | -179.5 | -175.5 | 153.3 | 1.9 | 111.2 | A159 I182 I233 W235 M236 | A159-R170 CarbonylContact O-C 3.44Å; A159-R170 WeakPolarHBondContact O-CA 3.42Å; R170-I182 WeakPolarHBondContact O-CD1 3.09Å; R170-I233 HydrophobicContact CB-CD1 4.18Å; R170-I233 HydrophobicContact CG-CD1 3.76Å; R170-W235 HydrophobicContact CB-CE3 4.02Å; R170-W235 HydrophobicContact CB-CH2 3.86Å; R170-W235 HydrophobicContact CB-CZ3 3.46Å; R170-W235 VanDerWaalsContact CB-CZ3 3.46Å; R170-M236 PolarHBondContact NH1-O 2.8Å |
| 171 | G | 97.3 | Very high | 97.5 | Very high | 7 Ų | 7 | 39.4 Ų | 39.4 | 7% | 0.072 | 22% | 0.216 | C | C | . | . | trans | -98.9 | 167 | 168.5 | 0 | 0 | 0 | 0 | 0 | 112 | A159 E180 | A159-G171 PolarHBondContact O-N 2.71Å; G171-E180 WeakPolarHBondContact CA-OE1 3.39Å; G171-E180 WeakPolarHBondContact CA-OE2 3.44Å | ||
| 172 | A | 97.3 | Very high | 97.4 | Very high | 36 Ų | 36 | 41.1 Ų | 41.1 | 30% | 0.298 | 23% | 0.225 | S | C | . | . | trans | -68 | 147.3 | -178 | 0 | 0 | 0 | 0 | 0 | 112.3 | C158 E180 | C158-A172 PolarHBondContact N-O 2.7Å; A172-E180 PolarHBondContact N-OE1 3.28Å; A172-E180 PolarHBondContact N-OE2 2.84Å; A172-E180 VanDerWaalsContact N-OE2 3.1Å | ||
| 173 | Q | 98.1 | Very high | 97.3 | Very high | 7 Ų | 7 | 46 Ų | 46 | 3% | 0.033 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -76 | -41.7 | 172.4 | -170.1 | 173.3 | -4.5 | 0 | 0 | 111 | D156 C158 H238 E243 | D156-Q173 CarbonylContact C-O 3.54Å; D156-Q173 VanDerWaalsContact CA-O 3.3Å; D156-Q173 WeakPolarHBondContact CA-O 3.41Å; D156-Q173 HydrophobicContact CB-CG 3.87Å; D156-Q173 CarbonylContact O-C 3.56Å; D156-Q173 WeakPolarHBondContact O-CA 3.37Å; C158-Q173 VanDerWaalsContact SG-CB 3.55Å; C158-Q173 VanDerWaalsContact SG-CG 3.55Å; Q173-H238 PolarHBondContact OE1-CD2 2.82Å; Q173-E243 PolarHBondContact NE2-OE1 2.95Å |
| 174 | F | 98.4 | Very high | 97.3 | Very high | 16 Ų | 16 | 46.8 Ų | 46.8 | 7% | 0.07 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -132.5 | 130.4 | 179.3 | -47.2 | -75.9 | 0 | 0 | 0 | 108.8 | H117 Y154 D156 E243 L246 | H117-F174 AromaticContact CD2-CZ 3.77Å; H117-F174 AromaticContact NE2-CZ 3.72Å; Y154-F174 HydrophobicContact CD1-CD1 4.09Å; Y154-F174 HydrophobicContact CD1-CE1 4.17Å; Y154-F174 AromaticContact CE1-CD1 3.46Å; Y154-F174 HydrophobicContact CE1-CD1 3.46Å; Y154-F174 VanDerWaalsContact CE1-CD1 3.46Å; Y154-F174 AromaticContact CE1-CE1 3.98Å; Y154-F174 HydrophobicContact CE1-CE1 3.98Å; D156-F174 HydrophobicContact CB-CE1 4.24Å; F174-E243 HydrophobicContact CE2-CB 4.22Å; F174-E243 HydrophobicContact CE2-CG 4.05Å; F174-E243 HydrophobicContact CZ-CB 4.22Å; F174-E243 HydrophobicContact CZ-CG 4.26Å; F174-L246 HydrophobicContact CB-CB 3.73Å; F174-L246 HydrophobicContact CD2-CB 3.52Å; F174-L246 HydrophobicContact CD2-CD1 3.85Å; F174-L246 HydrophobicContact CD2-CG 4.34Å; F174-L246 HydrophobicContact CE2-CB 4.24Å; F174-L246 HydrophobicContact CG-CB 3.67Å |
| 175 | S | 97.4 | Very high | 97.3 | Very high | 27 Ų | 27 | 48.2 Ų | 48.2 | 19% | 0.189 | 27% | 0.273 | C | S | . | . | trans | -163.6 | 158.9 | 175 | 151.8 | 0 | 0 | 0 | 0 | 109.1 | R146 D177 | R146-S175 VanDerWaalsContact CZ-CB 3.46Å; R146-S175 PolarHBondContact NH2-OG 2.79Å; R146-S175 VanDerWaalsContact NH2-OG 3.12Å; S175-D177 PolarHBondContact OG-N 2.8Å; S175-D177 PolarHBondContact OG-OD2 3.3Å | ||
| 176 | L | 98.1 | Very high | 97.3 | Very high | 17 Ų | 17 | 50 Ų | 50 | 9% | 0.089 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -88.7 | -0.6 | 175.8 | -50.7 | -173.9 | 0 | 0 | 0 | 113.2 | C250 W253 L287 L288 A291 V299 | L176-C250 HydrophobicContact CD2-CB 4.26Å; L176-W253 HydrophobicContact CD2-CB 4.31Å; L176-W253 HydrophobicContact CD2-CG 4.21Å; L176-L287 HydrophobicContact CD1-CB 3.95Å; L176-L287 HydrophobicContact CG-CB 4.39Å; L176-L288 HydrophobicContact CD1-CD2 3.62Å; L176-L288 HydrophobicContact CD1-CG 4.05Å; L176-A291 HydrophobicContact CD1-CB 4.07Å; L176-V299 HydrophobicContact CB-CG2 3.84Å |
| 177 | D | 97.1 | Very high | 97.1 | Very high | 66 Ų | 66 | 49.3 Ų | 49.3 | 35% | 0.353 | 28% | 0.281 | S | S | . | . | trans | -76.1 | 129.5 | 176.6 | -35.9 | -59.7 | 0 | 0 | 0 | 110.4 | R146 S175 V179 N296 | R146-D177 VanDerWaalsContact NH2-CB 3.34Å; R146-D177 PolarHBondContact NH2-O 3.41Å; R146-D177 IonicContact NH2-OD2 2.97Å; S175-D177 PolarHBondContact OG-N 2.8Å; S175-D177 PolarHBondContact OG-OD2 3.3Å; D177-V179 PolarHBondContact O-N 2.69Å; D177-N296 PolarHBondContact OD1-ND2 3.35Å | ||
| 178 | D | 95.1 | Very high | 97 | Very high | 94 Ų | 94 | 50.6 Ų | 50.6 | 50% | 0.503 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -69 | -24.7 | 176.1 | -82.2 | -13.7 | 0 | 0 | 0 | 112.1 | R257 | D178-R257 IonicContact OD1-CZ 3.78Å; D178-R257 IonicContact OD1-NH1 3.03Å; D178-R257 PolarHBondContact OD1-NH1 3.03Å; D178-R257 IonicContact OD1-NH2 3.85Å; D178-R257 PolarHBondContact OD1-NH2 3.37Å; D178-R257 IonicContact OD2-NH1 3.51Å; D178-R257 PolarHBondContact OD2-NH1 3.4Å |
| 179 | V | 96.9 | Very high | 96.8 | Very high | 117 Ų | 117 | 55.9 Ų | 55.9 | 71% | 0.709 | 31% | 0.311 | S | S | * | . | trans | -137 | 126.7 | 179.2 | -177.2 | 0 | 0 | 0 | 0 | 110.1 | D177 V181 | D177-V179 PolarHBondContact O-N 2.69Å; V179-V181 HydrophobicContact CG1-CG2 4.16Å | ||
| 180 | E | 96.9 | Very high | 96.7 | Very high | 72 Ų | 72 | 59.1 Ų | 59.1 | 34% | 0.336 | 33% | 0.328 | S | S | . | . | trans | -126.7 | 134.9 | 168.7 | 179.5 | -176.6 | -126.8 | 0 | 0 | 108.2 | R146 G171 A172 I182 | R146-E180 IonicContact CZ-OE2 2.84Å; R146-E180 IonicContact NH1-OE1 3.36Å; R146-E180 PolarHBondContact NH1-OE1 3.1Å; R146-E180 IonicContact NH1-OE2 3.66Å; R146-E180 PolarHBondContact NH1-OE2 3.48Å; G171-E180 WeakPolarHBondContact CA-OE1 3.39Å; G171-E180 WeakPolarHBondContact CA-OE2 3.44Å; A172-E180 PolarHBondContact N-OE1 3.28Å; A172-E180 PolarHBondContact N-OE2 2.84Å; A172-E180 VanDerWaalsContact N-OE2 3.1Å; E180-I182 HydrophobicContact CG-CD1 4.05Å; E180-I182 HydrophobicContact CG-CG1 4.47Å | ||
| 181 | V | 97.8 | Very high | 96.6 | Very high | 113 Ų | 113 | 54.5 Ų | 54.5 | 69% | 0.685 | 31% | 0.31 | S | S | * | . | trans | -123.8 | 126.5 | 177.6 | -178.4 | 0 | 0 | 0 | 0 | 108.4 | V179 T183 | V179-V181 HydrophobicContact CG1-CG2 4.16Å; V181-T183 HydrophobicContact CG1-CG2 4.31Å | ||
| 182 | I | 96.9 | Very high | 96.4 | Very high | 48 Ų | 48 | 56.4 Ų | 56.4 | 25% | 0.246 | 32% | 0.322 | C | S | . | . | trans | -109.8 | 132.3 | 176.2 | -54.7 | -59.7 | 0 | 0 | 0 | 108.4 | A159 A169 R170 E180 | A159-I182 HydrophobicContact CB-CG1 4.28Å; A169-I182 HydrophobicContact CB-CG2 3.34Å; R170-I182 WeakPolarHBondContact O-CD1 3.09Å; E180-I182 HydrophobicContact CG-CD1 4.05Å; E180-I182 HydrophobicContact CG-CG1 4.47Å | ||
| 183 | T | 96.9 | Very high | 96.2 | Very high | 103 Ų | 103 | 58.3 Ų | 58.3 | 63% | 0.632 | 33% | 0.333 | S | S | * | . | trans | -123.9 | 151.3 | 178.4 | 54.9 | 0 | 0 | 0 | 0 | 110 | V181 | V181-T183 HydrophobicContact CG1-CG2 4.31Š| ||
| 184 | A | 97.1 | Very high | 96.1 | Very high | 31 Ų | 31 | 60.7 Ų | 60.7 | 26% | 0.256 | 34% | 0.342 | S | S | . | . | trans | -145.5 | 138.6 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | V161 V168 A169 L186 H230 | V161-A184 HydrophobicContact CB-CB 4.09Å; V161-A184 HydrophobicContact CG1-CB 3.98Å; V161-A184 HydrophobicContact CG2-CB 4.22Å; V168-A184 HydrophobicContact CG2-CB 3.97Å; A169-A184 HydrophobicContact CB-CB 4.23Å; A184-L186 HydrophobicContact CB-CD1 4.41Å; A184-L186 HydrophobicContact CB-CD2 4.49Å; A184-L186 HydrophobicContact CB-CG 4.23Å; A184-H230 HydrophobicContact CB-CB 4.31Å | ||
| 185 | T | 96.8 | Very high | 95.8 | Very high | 54 Ų | 54 | 62 Ų | 62 | 33% | 0.331 | 35% | 0.347 | S | S | . | . | trans | -97.7 | 121.2 | 171 | -52.1 | 0 | 0 | 0 | 0 | 107.8 | L227 P228 T229 H230 | T185-L227 HydrophobicContact CG2-CB 4.01Å; T185-P228 WeakPolarHBondContact CB-O 3.35Å; T185-T229 WeakPolarHBondContact O-CA 3.44Å; T185-H230 PolarHBondContact N-ND1 2.89Å; T185-H230 PolarHBondContact O-N 2.9Å | ||
| 186 | L | 96 | Very high | 95.3 | Very high | 38 Ų | 38 | 62.8 Ų | 62.8 | 20% | 0.199 | 36% | 0.359 | C | S | . | . | trans | -135.8 | 147.5 | -173.3 | -58.9 | 173.8 | 0 | 0 | 0 | 110.1 | I139 V161 I163 V168 A184 H230 | I139-L186 HydrophobicContact CD1-CB 4.08Å; I139-L186 HydrophobicContact CD1-CD1 3.95Å; I139-L186 HydrophobicContact CG1-CD1 4Å; I139-L186 HydrophobicContact CG2-CD1 3.76Å; V161-L186 HydrophobicContact CG1-CD1 3.82Å; I163-L186 HydrophobicContact CB-CD1 4.27Å; I163-L186 HydrophobicContact CD1-CB 4.37Å; I163-L186 HydrophobicContact CD1-CD1 4.41Å; I163-L186 HydrophobicContact CG2-CD2 4.27Å; V168-L186 HydrophobicContact CB-CD2 4.34Å; V168-L186 HydrophobicContact CG1-CD2 4.18Å; V168-L186 HydrophobicContact CG2-CD1 4.23Å; V168-L186 HydrophobicContact CG2-CD2 3.96Å; A184-L186 HydrophobicContact CB-CD1 4.41Å; A184-L186 HydrophobicContact CB-CD2 4.49Å; A184-L186 HydrophobicContact CB-CG 4.23Å; L186-H230 HydrophobicContact CD2-CB 4.44Å | ||
| 187 | D | 95 | Very high | 94.9 | Very high | 74 Ų | 74 | 69.2 Ų | 69.2 | 40% | 0.396 | 39% | 0.389 | S | S | . | . | trans | -86.9 | 128.1 | 173.5 | -164.5 | -20.2 | 0 | 0 | 0 | 109.6 | E189 D190 T229 | D187-E189 PolarHBondContact O-N 3.34Å; D187-E189 WeakPolarHBondContact OD1-CB 3.42Å; D187-E189 PolarHBondContact OD1-N 3.22Å; D187-D190 WeakPolarHBondContact O-CB 3.47Å; D187-D190 PolarHBondContact O-N 2.98Å; D187-T229 HydrophobicContact CB-CG2 4.45Å | ||
| 188 | L | 95.2 | Very high | 93.9 | Very high | 31 Ų | 31 | 70.1 Ų | 70.1 | 16% | 0.162 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -69.5 | -27.2 | 175.8 | -70.1 | 172.6 | 0 | 0 | 0 | 111.3 | T81 I108 I139 D190 V191 C192 | T81-L188 HydrophobicContact CG2-CD1 4.43Å; I108-L188 HydrophobicContact CD1-CD2 4.28Å; I108-L188 HydrophobicContact CG1-CD2 4.39Å; I139-L188 HydrophobicContact CD1-CD2 3.96Å; L188-D190 PolarHBondContact O-N 3.43Å; L188-V191 WeakPolarHBondContact O-CB 3.37Å; L188-V191 PolarHBondContact O-N 3.29Å; L188-C192 PolarHBondContact O-N 2.73Å |
| 189 | E | 94.1 | Very high | 92.3 | Very high | 116 Ų | 116 | 70.4 Ų | 70.4 | 54% | 0.542 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -67.7 | -21.5 | 178 | -64.6 | -61.9 | 166.5 | 0 | 0 | 112.5 | D187 V191 C192 S193 | D187-E189 PolarHBondContact O-N 3.34Å; D187-E189 WeakPolarHBondContact OD1-CB 3.42Å; D187-E189 PolarHBondContact OD1-N 3.22Å; E189-V191 VanDerWaalsContact C-N 3.3Å; E189-V191 PolarHBondContact O-N 3.45Å; E189-C192 PolarHBondContact O-N 3.05Å; E189-S193 WeakPolarHBondContact O-CB 3.34Å; E189-S193 PolarHBondContact O-N 3.21Å; E189-S193 PolarHBondContact O-OG 3.07Å |
| 190 | D | 95.5 | Very high | 90.6 | Very high | 77 Ų | 77 | 69.5 Ų | 69.5 | 41% | 0.412 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -65.2 | -35.5 | 170.4 | -71.1 | -24.7 | 0 | 0 | 0 | 111.2 | I163 N164 D187 L188 Y194 | I163-D190 HydrophobicContact CD1-CB 4.14Å; N164-D190 PolarHBondContact ND2-O 3.09Å; D187-D190 WeakPolarHBondContact O-CB 3.47Å; D187-D190 PolarHBondContact O-N 2.98Å; L188-D190 PolarHBondContact O-N 3.43Å; D190-Y194 WeakPolarHBondContact O-CB 3.48Å; D190-Y194 PolarHBondContact O-N 2.69Å |
| 191 | V | 95.4 | Very high | 88.5 | Confident | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -69.5 | -46.9 | 174.5 | 176.2 | 0 | 0 | 0 | 0 | 110.4 | E107 I139 I163 L188 E189 Y194 R195 | E107-V191 HydrophobicContact CB-CG1 4.31Å; E107-V191 HydrophobicContact CG-CG1 4.08Å; I139-V191 HydrophobicContact CD1-CG2 4.35Å; I139-V191 HydrophobicContact CG1-CG2 3.92Å; I163-V191 HydrophobicContact CD1-CG2 4.05Å; I163-V191 HydrophobicContact CG1-CG2 4.19Å; L188-V191 WeakPolarHBondContact O-CB 3.37Å; L188-V191 PolarHBondContact O-N 3.29Å; E189-V191 VanDerWaalsContact C-N 3.3Å; E189-V191 PolarHBondContact O-N 3.45Å; V191-Y194 PolarHBondContact O-N 3.23Å; V191-R195 WeakPolarHBondContact O-CB 3.33Å; V191-R195 WeakPolarHBondContact O-CG 3.3Å; V191-R195 PolarHBondContact O-N 3.23Å |
| 192 | C | 92.1 | Very high | 86.5 | Confident | 48 Ų | 48 | 73.3 Ų | 73.3 | 32% | 0.324 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -58.6 | -48.6 | 178.3 | -66 | 0 | 0 | 0 | 0 | 111.2 | L188 E189 R195 G196 | L188-C192 PolarHBondContact O-N 2.73Å; E189-C192 PolarHBondContact O-N 3.05Å; C192-R195 PolarHBondContact O-N 3.05Å; C192-G196 PolarHBondContact O-N 3.47Å |
| 193 | S | 94.1 | Very high | 84.5 | Confident | 76 Ų | 76 | 77.8 Ų | 77.8 | 53% | 0.531 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -65.3 | -43.9 | -179.7 | -60 | 0 | 0 | 0 | 0 | 111.8 | E189 R195 G196 E197 | E189-S193 WeakPolarHBondContact O-CB 3.34Å; E189-S193 PolarHBondContact O-N 3.21Å; E189-S193 PolarHBondContact O-OG 3.07Å; S193-R195 PolarHBondContact O-N 3.49Å; S193-G196 CarbonylContact O-C 3.59Å; S193-G196 PolarHBondContact O-N 2.78Å; S193-E197 PolarHBondContact O-N 2.98Å |
| 194 | Y | 94.5 | Very high | 82.2 | Confident | 56 Ų | 56 | 82.1 Ų | 82.1 | 22% | 0.22 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -61.2 | -43.8 | 177 | -175.4 | -94.9 | 0 | 0 | 0 | 112.4 | T134 N164 D190 V191 G196 L198 | T134-Y194 PolarHBondContact O-OH 3.46Å; N164-Y194 HydrophobicContact CB-CD1 3.94Å; N164-Y194 HydrophobicContact CB-CD2 3.78Å; N164-Y194 HydrophobicContact CB-CE1 4.09Å; N164-Y194 HydrophobicContact CB-CE2 3.92Å; N164-Y194 HydrophobicContact CB-CG 3.78Å; N164-Y194 VanDerWaalsContact CG-CG 3.49Å; N164-Y194 VanDerWaalsContact ND2-CB 3.27Å; N164-Y194 WeakPolarHBondContact ND2-CB 3.36Å; D190-Y194 WeakPolarHBondContact O-CB 3.48Å; D190-Y194 PolarHBondContact O-N 2.69Å; V191-Y194 PolarHBondContact O-N 3.23Å; Y194-G196 VanDerWaalsContact C-N 3.34Å; Y194-L198 HydrophobicContact CD1-CD1 4.21Å; Y194-L198 HydrophobicContact CE1-CD1 3.85Å; Y194-L198 WeakPolarHBondContact O-CG 3.34Å; Y194-L198 PolarHBondContact O-N 3.1Å |
| 195 | R | 91.7 | Very high | 80 | Confident | 43 Ų | 43 | 83.2 Ų | 83.2 | 16% | 0.162 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -68 | -35.7 | 174.8 | -72.4 | -179.7 | 171.5 | 169.2 | 3.7 | 112.1 | V106 S136 G137 V191 C192 S193 L198 | V106-R195 VanDerWaalsContact O-CZ 3.28Å; V106-R195 PolarHBondContact O-NH1 3.5Å; V106-R195 PolarHBondContact O-NH2 3.01Å; S136-R195 PolarHBondContact O-NE 2.92Å; S136-R195 PolarHBondContact O-NH2 2.96Å; G137-R195 PolarHBondContact O-NH2 3.05Å; V191-R195 WeakPolarHBondContact O-CB 3.33Å; V191-R195 WeakPolarHBondContact O-CG 3.3Å; V191-R195 PolarHBondContact O-N 3.23Å; C192-R195 PolarHBondContact O-N 3.05Å; S193-R195 PolarHBondContact O-N 3.49Å; R195-L198 PolarHBondContact O-N 2.94Å |
| 196 | G | 88.4 | Confident | 77.9 | Confident | 44 Ų | 44 | 90.6 Ų | 90.6 | 45% | 0.454 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.3 | -41 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | C192 S193 Y194 L198 C199 | C192-G196 PolarHBondContact O-N 3.47Å; S193-G196 CarbonylContact O-C 3.59Å; S193-G196 PolarHBondContact O-N 2.78Å; Y194-G196 VanDerWaalsContact C-N 3.34Å; G196-L198 VanDerWaalsContact C-N 3.3Å; G196-L198 PolarHBondContact O-N 2.87Å; G196-C199 PolarHBondContact O-N 3.41Å; G196-C199 PolarHBondContact O-SG 2.71Å |
| 197 | E | 88.2 | Confident | 76.3 | Confident | 153 Ų | 153 | 94.5 Ų | 94.5 | 72% | 0.715 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -58.3 | -43.8 | 175.3 | -177.3 | -177 | 172.6 | 0 | 0 | 111.3 | S193 C199 | S193-E197 PolarHBondContact O-N 2.98Å; E197-C199 PolarHBondContact O-N 2.88Å; E197-C199 VanDerWaalsContact O-N 3.13Å |
| 198 | L | 76 | Confident | 75.4 | Confident | 85 Ų | 85 | 97.6 Ų | 97.6 | 45% | 0.445 | 52% | 0.52 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -10.6 | 178.9 | -66 | 173.4 | 0 | 0 | 0 | 113.4 | Y194 R195 G196 Q200 | Y194-L198 HydrophobicContact CD1-CD1 4.21Å; Y194-L198 HydrophobicContact CE1-CD1 3.85Å; Y194-L198 WeakPolarHBondContact O-CG 3.34Å; Y194-L198 PolarHBondContact O-N 3.1Å; R195-L198 PolarHBondContact O-N 2.94Å; G196-L198 VanDerWaalsContact C-N 3.3Å; G196-L198 PolarHBondContact O-N 2.87Å; L198-Q200 VanDerWaalsContact C-N 3.28Å; L198-Q200 HydrophobicContact CB-CG 4.43Å; L198-Q200 PolarHBondContact O-N 3.49Å; L198-Q200 VanDerWaalsContact O-N 3.15Å |
| 199 | C | 62.8 | Low | 74.7 | Confident | 99 Ų | 99 | 100.4 Ų | 100.4 | 67% | 0.669 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 40 | 54.3 | 178 | -73.4 | 0 | 0 | 0 | 0 | 112.2 | G196 E197 P201 | G196-C199 PolarHBondContact O-N 3.41Å; G196-C199 PolarHBondContact O-SG 2.71Å; E197-C199 PolarHBondContact O-N 2.88Å; E197-C199 VanDerWaalsContact O-N 3.13Å; C199-P201 WeakPolarHBondContact O-CD 3.28Å |
| 200 | Q | 61.3 | Low | 74.3 | Confident | 98 Ų | 98 | 95.2 Ų | 95.2 | 46% | 0.458 | 52% | 0.517 | S | S | . | . | trans | -65 | 110.1 | 179.6 | -67.1 | -172.1 | 4.9 | 0 | 0 | 108.2 | L198 L202 | L198-Q200 VanDerWaalsContact C-N 3.28Å; L198-Q200 HydrophobicContact CB-CG 4.43Å; L198-Q200 PolarHBondContact O-N 3.49Å; L198-Q200 VanDerWaalsContact O-N 3.15Å; Q200-L202 PolarHBondContact O-N 3.28Å | ||
| 201 | P | 53.2 | Low | 74.1 | Confident | 98 Ų | 98 | 95.6 Ų | 95.6 | 64% | 0.636 | 52% | 0.516 | S | S | * | . | trans | -57.7 | 142.2 | 171.1 | 26 | -31.7 | 0 | 0 | 0 | 106.7 | C199 M203 | C199-P201 WeakPolarHBondContact O-CD 3.28Å; P201-M203 VanDerWaalsContact C-N 3.34Å; P201-M203 PolarHBondContact O-N 2.96Å | ||
| 202 | L | 54.2 | Low | 74.1 | Confident | 168 Ų | 168 | 100.8 Ų | 100.8 | 88% | 0.88 | 54% | 0.535 | S | S | * | . | trans | -40.5 | 104.5 | 172.1 | -109.4 | 95.2 | 0 | 0 | 0 | 107.4 | Q200 E204 | Q200-L202 PolarHBondContact O-N 3.28Å; L202-E204 VanDerWaalsContact C-N 3.29Å; L202-E204 PolarHBondContact O-N 3.24Å | ||
| 203 | M | 55 | Low | 74.3 | Confident | 141 Ų | 141 | 99.7 Ų | 99.7 | 70% | 0.695 | 53% | 0.526 | S | S | * | . | trans | -69.1 | 103.5 | 174.3 | -75.6 | -119.1 | 135.5 | 0 | 0 | 103.2 | P201 G205 | P201-M203 VanDerWaalsContact C-N 3.34Å; P201-M203 PolarHBondContact O-N 2.96Å; M203-G205 PolarHBondContact O-N 3.28Å | ||
| 204 | E | 48.6 | Very low | 74.5 | Confident | 194 Ų | 194 | 105.2 Ų | 105.2 | 91% | 0.907 | 54% | 0.54 | S | S | * | . | trans | -58.8 | 79.1 | 172.5 | -76.4 | -174.8 | 154.3 | 0 | 0 | 108.4 | L202 | L202-E204 VanDerWaalsContact C-N 3.29Å; L202-E204 PolarHBondContact O-N 3.24Å | ||
| 205 | G | 51.9 | Low | 74.6 | Confident | 55 Ų | 55 | 103.1 Ų | 103.1 | 57% | 0.567 | 53% | 0.534 | S | S | * | . | trans | -100.9 | 113.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | M203 Q207 | M203-G205 PolarHBondContact O-N 3.28Å; G205-Q207 PolarHBondContact O-N 2.77Å | ||
| 206 | Q | 52.2 | Low | 74.9 | Confident | 209 Ų | 209 | 107.6 Ų | 107.6 | 98% | 0.977 | 56% | 0.561 | S | S | * | * | trans | -61.8 | 27.2 | 175.3 | -64.3 | 176.4 | -26.5 | 0 | 0 | 114.3 | ||||
| 207 | Q | 63.8 | Low | 75.3 | Confident | 120 Ų | 120 | 109.4 Ų | 109.4 | 56% | 0.561 | 56% | 0.556 | S | S | * | * | P | Polyproline II helix | trans | -100.6 | 142.5 | -174.9 | -68.1 | -165.7 | 4.4 | 0 | 0 | 111.8 | Q100 G205 | Q100-Q207 VanDerWaalsContact CD-OE1 3.3Å; Q100-Q207 VanDerWaalsContact OE1-OE1 3.12Å; G205-Q207 PolarHBondContact O-N 2.77Å |
| 208 | K | 74.5 | Confident | 75.7 | Confident | 138 Ų | 138 | 104.7 Ų | 104.7 | 60% | 0.6 | 54% | 0.54 | S | S | * | . | P | Polyproline II helix | trans | -63.3 | 127.9 | 177.9 | -171.3 | 179.7 | -179.3 | -175.3 | 0 | 109 | ||
| 209 | P | 81.4 | Confident | 76.6 | Confident | 90 Ų | 90 | 104.6 Ų | 104.6 | 58% | 0.584 | 54% | 0.539 | S | S | * | . | P | Polyproline II helix | trans | -61.4 | 151.2 | 180 | 24.8 | -34 | 0 | 0 | 0 | 111.2 | H211 | P209-H211 PolarHBondContact O-N 2.94Š|
| 210 | C | 84.6 | Confident | 78.1 | Confident | 8 Ų | 8 | 102.4 Ų | 102.4 | 5% | 0.054 | 53% | 0.525 | C | S | . | . | P | Polyproline II helix | trans | -51.1 | 133.4 | 169.3 | -77.4 | 0 | 0 | 0 | 0 | 110.7 | R49 V75 D104 R212 | R49-C210 PolarHBondContact NH1-SG 2.85Å; R49-C210 PolarHBondContact NH2-SG 3.04Å; V75-C210 HydrophobicContact CG1-CB 4.2Å; V75-C210 HydrophobicContact CG2-CB 4.05Å; D104-C210 VanDerWaalsContact OD2-CB 3.24Å; D104-C210 WeakPolarHBondContact OD2-CB 3.36Å; D104-C210 PolarHBondContact OD2-N 3.49Å; D104-C210 PolarHBondContact OD2-SG 3.12Å; C210-R212 PolarHBondContact O-N 3.03Å |
| 211 | H | 91.8 | Very high | 79.4 | Confident | 85 Ų | 85 | 100.6 Ų | 100.6 | 39% | 0.394 | 52% | 0.523 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 135 | 162.8 | -173.2 | 79.1 | 0 | 0 | 0 | 108.8 | V51 C74 V75 P209 I213 | V51-H211 HydrophobicContact CG1-CB 4.43Å; C74-H211 WeakPolarHBondContact CA-O 3.41Å; C74-H211 HydrophobicContact CB-CB 3.8Å; C74-H211 WeakPolarHBondContact CB-O 3.48Å; V75-H211 PolarHBondContact N-O 3.39Å; P209-H211 PolarHBondContact O-N 2.94Å; H211-I213 WeakPolarHBondContact NE2-CD1 3.42Å |
| 212 | R | 95.5 | Very high | 80.7 | Confident | 108 Ų | 108 | 100.9 Ų | 100.9 | 41% | 0.408 | 53% | 0.528 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 116.4 | -176.5 | -69.9 | -178.3 | 170.6 | -126 | 2.7 | 110 | V75 D104 C210 K214 | V75-R212 HydrophobicContact CG2-CG 3.75Å; V75-R212 WeakPolarHBondContact O-CA 3.43Å; D104-R212 PolarHBondContact O-NH2 2.85Å; C210-R212 PolarHBondContact O-N 3.03Å; R212-K214 PolarHBondContact O-N 2.76Å |
| 213 | I | 97.1 | Very high | 82.1 | Confident | 25 Ų | 25 | 98.9 Ų | 98.9 | 13% | 0.128 | 52% | 0.518 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 114.5 | 171 | -55.9 | -56.1 | 0 | 0 | 0 | 107.8 | P70 V75 L76 S77 H211 V215 | P70-I213 HydrophobicContact CB-CD1 3.91Å; P70-I213 HydrophobicContact CB-CG1 4.47Å; P70-I213 HydrophobicContact CG-CD1 3.65Å; P70-I213 HydrophobicContact CG-CG1 4.34Å; V75-I213 PolarHBondContact O-N 2.93Å; L76-I213 HydrophobicContact CD2-CB 3.88Å; L76-I213 HydrophobicContact CD2-CG1 4.46Å; L76-I213 HydrophobicContact CD2-CG2 4.2Å; S77-I213 PolarHBondContact N-O 3.04Å; H211-I213 WeakPolarHBondContact NE2-CD1 3.42Å; I213-V215 PolarHBondContact O-N 2.65Å |
| 214 | K | 97.7 | Very high | 83.6 | Confident | 192 Ų | 192 | 95.1 Ų | 95.1 | 84% | 0.835 | 50% | 0.501 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 126.7 | 176.3 | -64.4 | -175.4 | 179.9 | -177 | 0 | 109.4 | R212 | R212-K214 PolarHBondContact O-N 2.76Å |
| 215 | V | 97.9 | Very high | 85.2 | Confident | 13 Ų | 13 | 91.6 Ų | 91.6 | 8% | 0.079 | 49% | 0.492 | C | S | . | . | trans | -119.1 | 119.6 | 178.8 | -173.1 | 0 | 0 | 0 | 0 | 107.8 | L17 L22 L76 S77 T78 I213 F217 | L17-V215 HydrophobicContact CD2-CG1 3.94Å; L22-V215 HydrophobicContact CD1-CG1 3.92Å; L22-V215 HydrophobicContact CD1-CG2 3.99Å; L22-V215 HydrophobicContact CD2-CG1 4.29Å; L22-V215 HydrophobicContact CD2-CG2 4.45Å; L76-V215 HydrophobicContact CB-CG2 4.17Å; L76-V215 HydrophobicContact CD2-CG2 4.14Å; S77-V215 PolarHBondContact O-N 2.77Å; T78-V215 HydrophobicContact CG2-CB 4.29Å; I213-V215 PolarHBondContact O-N 2.65Å; V215-F217 HydrophobicContact CG1-CB 3.86Å; V215-F217 PolarHBondContact O-N 2.77Å | ||
| 216 | D | 96.9 | Very high | 86.8 | Confident | 136 Ų | 136 | 99 Ų | 99 | 73% | 0.727 | 51% | 0.505 | S | S | * | . | trans | -76.5 | 70.2 | 176.7 | -173.8 | 23.8 | 0 | 0 | 0 | 110.6 | K79 | K79-D216 WeakPolarHBondContact CE-OD1 3.14Å; K79-D216 IonicContact NZ-OD1 3.45Å; K79-D216 PolarHBondContact NZ-OD1 2.76Å | ||
| 217 | F | 97.4 | Very high | 88.6 | Confident | 83 Ų | 83 | 93.3 Ų | 93.3 | 36% | 0.364 | 48% | 0.48 | S | S | . | . | trans | -149.7 | 153.1 | -177.4 | -169.9 | -111.8 | 0 | 0 | 0 | 109.8 | L17 T78 K79 V215 L219 | L17-F217 HydrophobicContact CD1-CD2 4.43Å; L17-F217 HydrophobicContact CD1-CE2 4.34Å; L17-F217 HydrophobicContact CD2-CB 3.69Å; L17-F217 HydrophobicContact CD2-CD1 4.2Å; L17-F217 HydrophobicContact CD2-CD2 3.78Å; L17-F217 HydrophobicContact CD2-CE2 4.49Å; L17-F217 HydrophobicContact CD2-CG 3.62Å; T78-F217 WeakPolarHBondContact CB-O 3.27Å; K79-F217 PolarHBondContact N-O 3.46Å; V215-F217 HydrophobicContact CG1-CB 3.86Å; V215-F217 PolarHBondContact O-N 2.77Å; F217-L219 HydrophobicContact CD1-CD1 3.8Å; F217-L219 HydrophobicContact CE1-CD1 4.01Å; F217-L219 HydrophobicContact CE1-CG 4.38Å | ||
| 218 | S | 96.7 | Very high | 89.9 | Confident | 53 Ų | 53 | 92.4 Ų | 92.4 | 37% | 0.371 | 48% | 0.484 | S | S | . | . | trans | -122.2 | 125.7 | 173.2 | -159.8 | 0 | 0 | 0 | 0 | 106.6 | D80 S220 | D80-S218 PolarHBondContact OD2-OG 3.35Å; S218-S220 VanDerWaalsContact C-N 3.33Å; S218-S220 WeakPolarHBondContact CB-O 2.88Å; S218-S220 PolarHBondContact OG-O 3.39Å | ||
| 219 | L | 94.8 | Very high | 90.8 | Very high | 83 Ų | 83 | 88.7 Ų | 88.7 | 44% | 0.435 | 47% | 0.473 | S | S | . | . | S | Bend | trans | -75 | -30.5 | 175.5 | -91.9 | 72.2 | 0 | 0 | 0 | 111.2 | T78 D80 T81 I83 I108 F217 | T78-L219 HydrophobicContact CG2-CD1 3.6Å; D80-L219 PolarHBondContact OD1-N 2.91Å; D80-L219 WeakPolarHBondContact OD2-CA 3.21Å; D80-L219 PolarHBondContact OD2-N 3.22Å; T81-L219 HydrophobicContact CG2-CD1 4.24Å; T81-L219 HydrophobicContact CG2-CD2 3.98Å; T81-L219 HydrophobicContact CG2-CG 4.49Å; I83-L219 HydrophobicContact CD1-CD1 4.18Å; I83-L219 HydrophobicContact CD1-CD2 3.91Å; I108-L219 HydrophobicContact CD1-CD2 3.97Å; F217-L219 HydrophobicContact CD1-CD1 3.8Å; F217-L219 HydrophobicContact CE1-CD1 4.01Å; F217-L219 HydrophobicContact CE1-CG 4.38Å |
| 220 | S | 93.5 | Very high | 91.5 | Very high | 54 Ų | 54 | 87.9 Ų | 87.9 | 38% | 0.378 | 46% | 0.462 | S | S | . | . | S | Bend | trans | -106.9 | 157.4 | 177.6 | 63 | 0 | 0 | 0 | 0 | 111.5 | D80 S218 | D80-S220 PolarHBondContact OD2-N 2.91Å; D80-S220 PolarHBondContact OD2-OG 3.03Å; S218-S220 VanDerWaalsContact C-N 3.33Å; S218-S220 WeakPolarHBondContact CB-O 2.88Å; S218-S220 PolarHBondContact OG-O 3.39Å |
| 221 | S | 89.5 | Confident | 92.1 | Very high | 59 Ų | 59 | 93.6 Ų | 93.6 | 41% | 0.413 | 49% | 0.488 | S | S | . | . | trans | -124.8 | 150.7 | 175.9 | 178.2 | 0 | 0 | 0 | 0 | 110.4 | N223 D224 | S221-N223 PolarHBondContact O-N 3.13Å; S221-N223 PolarHBondContact OG-N 3.23Å; S221-D224 PolarHBondContact N-OD2 3.18Å; S221-D224 VanDerWaalsContact O-CB 3.29Å; S221-D224 WeakPolarHBondContact O-CB 3.5Å; S221-D224 VanDerWaalsContact O-CG 3.3Å; S221-D224 PolarHBondContact O-N 3.03Å | ||
| 222 | S | 80.3 | Confident | 92.3 | Very high | 104 Ų | 104 | 93.2 Ų | 93.2 | 73% | 0.727 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -15.4 | 174.4 | 57.5 | 0 | 0 | 0 | 0 | 113.8 | D224 | S222-D224 VanDerWaalsContact C-N 3.32Š|
| 223 | N | 83.4 | Confident | 92.4 | Very high | 126 Ų | 126 | 91.1 Ų | 91.1 | 67% | 0.674 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | -4.5 | 178.5 | -63.4 | -17.4 | 0 | 0 | 0 | 113.1 | S221 V225 | S221-N223 PolarHBondContact O-N 3.13Å; S221-N223 PolarHBondContact OG-N 3.23Å; N223-V225 PolarHBondContact O-N 3Å |
| 224 | D | 87.1 | Confident | 92.3 | Very high | 63 Ų | 63 | 97.6 Ų | 97.6 | 34% | 0.337 | 52% | 0.519 | S | S | . | . | G | 310 helix | trans | -80.4 | -1.1 | -172.2 | -64 | -15.9 | 0 | 0 | 0 | 113.5 | S221 S222 Y226 L227 | S221-D224 PolarHBondContact N-OD2 3.18Å; S221-D224 VanDerWaalsContact O-CB 3.29Å; S221-D224 WeakPolarHBondContact O-CB 3.5Å; S221-D224 VanDerWaalsContact O-CG 3.3Å; S221-D224 PolarHBondContact O-N 3.03Å; S222-D224 VanDerWaalsContact C-N 3.32Å; D224-Y226 PolarHBondContact O-N 3.07Å; D224-L227 HydrophobicContact CB-CD1 3.78Å; D224-L227 HydrophobicContact CB-CG 4.29Å; D224-L227 WeakPolarHBondContact O-CB 3.31Å; D224-L227 PolarHBondContact O-N 2.82Å |
| 225 | V | 82.1 | Confident | 92.1 | Very high | 119 Ų | 119 | 90 Ų | 90 | 72% | 0.721 | 49% | 0.485 | S | S | * | . | G | 310 helix | trans | -53.8 | -26.5 | -177.2 | -179.8 | 0 | 0 | 0 | 0 | 113.4 | N223 | N223-V225 PolarHBondContact O-N 3Š|
| 226 | Y | 85.3 | Confident | 92 | Very high | 212 Ų | 212 | 95 Ų | 95 | 83% | 0.831 | 51% | 0.509 | S | S | * | . | G | 310 helix | trans | -100.7 | 0.7 | -179.1 | -55.4 | -70.3 | 0 | 0 | 0 | 113.9 | D224 | D224-Y226 PolarHBondContact O-N 3.07Š|
| 227 | L | 89.1 | Confident | 91.9 | Very high | 89 Ų | 89 | 92.6 Ų | 92.6 | 47% | 0.466 | 49% | 0.492 | S | S | . | . | S | Bend | trans | -73.9 | 124.8 | 178.5 | -66.4 | 179.7 | 0 | 0 | 0 | 109.7 | T185 D224 T229 | T185-L227 HydrophobicContact CG2-CB 4.01Å; D224-L227 HydrophobicContact CB-CD1 3.78Å; D224-L227 HydrophobicContact CB-CG 4.29Å; D224-L227 WeakPolarHBondContact O-CB 3.31Å; D224-L227 PolarHBondContact O-N 2.82Å; L227-T229 PolarHBondContact O-N 3.49Å |
| 228 | P | 90.6 | Very high | 92 | Very high | 100 Ų | 100 | 91.9 Ų | 91.9 | 65% | 0.649 | 49% | 0.489 | S | S | * | . | P | Polyproline II helix | trans | -67.6 | 132 | 178.3 | 27.3 | -33.3 | 0 | 0 | 0 | 110.4 | T185 | T185-P228 WeakPolarHBondContact CB-O 3.35Š|
| 229 | T | 94 | Very high | 92.1 | Very high | 60 Ų | 60 | 92.1 Ų | 92.1 | 37% | 0.368 | 49% | 0.489 | S | S | . | . | P | Polyproline II helix | trans | -77 | 141.6 | 173.7 | 55.4 | 0 | 0 | 0 | 0 | 110.7 | T185 D187 L227 Q231 | T185-T229 WeakPolarHBondContact O-CA 3.44Å; D187-T229 HydrophobicContact CB-CG2 4.45Å; L227-T229 PolarHBondContact O-N 3.49Å; T229-Q231 PolarHBondContact O-NE2 3.07Å; T229-Q231 PolarHBondContact OG1-NE2 3.01Å |
| 230 | H | 96.3 | Very high | 92.2 | Very high | 73 Ų | 73 | 89.9 Ų | 89.9 | 34% | 0.338 | 48% | 0.479 | S | S | . | . | P | Polyproline II helix | trans | -70.7 | 133.1 | 175.3 | -75.8 | 55.8 | 0 | 0 | 0 | 110.1 | V168 A184 T185 L186 | V168-H230 HydrophobicContact CB-CB 4.21Å; A184-H230 HydrophobicContact CB-CB 4.31Å; T185-H230 PolarHBondContact N-ND1 2.89Å; T185-H230 PolarHBondContact O-N 2.9Å; L186-H230 HydrophobicContact CD2-CB 4.44Å |
| 231 | Q | 96.6 | Very high | 92.5 | Very high | 129 Ų | 129 | 89.5 Ų | 89.5 | 60% | 0.603 | 47% | 0.471 | S | S | * | . | P | Polyproline II helix | trans | -89.3 | 153.7 | 179.5 | -60.5 | -58.3 | -56.4 | 0 | 0 | 111.1 | T229 | T229-Q231 PolarHBondContact O-NE2 3.07Å; T229-Q231 PolarHBondContact OG1-NE2 3.01Å |
| 232 | P | 97.1 | Very high | 92.9 | Very high | 76 Ų | 76 | 89.3 Ų | 89.3 | 49% | 0.494 | 46% | 0.464 | S | S | . | . | P | Polyproline II helix | trans | -52.9 | 139.9 | 173.1 | -29.2 | 37.3 | 0 | 0 | 0 | 113.1 | E166 V167 | E166-P232 HydrophobicContact CB-CB 4.03Å; E166-P232 HydrophobicContact CB-CG 4.08Å; E166-P232 HydrophobicContact CG-CB 4.28Å; E166-P232 HydrophobicContact CG-CG 4.25Å; V167-P232 WeakPolarHBondContact O-CA 3.17Å |
| 233 | I | 97.1 | Very high | 93.8 | Very high | 64 Ų | 64 | 84.6 Ų | 84.6 | 33% | 0.328 | 43% | 0.431 | S | S | . | . | trans | -119.4 | 147.4 | 177 | 62.2 | 166.9 | 0 | 0 | 0 | 111.2 | V167 R170 | V167-I233 HydrophobicContact CB-CG1 4.48Å; V167-I233 HydrophobicContact CG1-CD1 4.31Å; V167-I233 HydrophobicContact CG1-CG1 4.14Å; V167-I233 VanDerWaalsContact O-CG1 3.31Å; V167-I233 WeakPolarHBondContact O-CG1 3.23Å; V167-I233 PolarHBondContact O-N 3.08Å; R170-I233 HydrophobicContact CB-CD1 4.18Å; R170-I233 HydrophobicContact CG-CD1 3.76Å | ||
| 234 | Q | 94.5 | Very high | 94.5 | Very high | 161 Ų | 161 | 78.8 Ų | 78.8 | 75% | 0.752 | 40% | 0.399 | S | S | * | . | trans | -78.8 | 131.6 | 169.8 | -171.3 | 175.5 | 5.3 | 0 | 0 | 110.3 | M236 | Q234-M236 PolarHBondContact O-N 2.8Š| ||
| 235 | W | 94.4 | Very high | 95.1 | Very high | 32 Ų | 32 | 76 Ų | 76 | 12% | 0.121 | 39% | 0.385 | C | S | . | . | trans | -78 | 113.1 | 173.2 | -165 | -71.7 | 0 | 0 | 0 | 110.7 | V126 C158 M160 V167 R170 F237 | V126-W235 HydrophobicContact CG1-CD2 4.26Å; V126-W235 HydrophobicContact CG1-CE3 4.17Å; V126-W235 HydrophobicContact CG1-CG 4.44Å; V126-W235 HydrophobicContact CG2-CD2 3.67Å; V126-W235 HydrophobicContact CG2-CE3 3.82Å; V126-W235 HydrophobicContact CG2-CG 4.3Å; V126-W235 HydrophobicContact CG2-CH2 3.96Å; V126-W235 HydrophobicContact CG2-CZ2 3.79Å; V126-W235 HydrophobicContact CG2-CZ3 3.96Å; C158-W235 HydrophobicContact CB-CH2 4.02Å; C158-W235 HydrophobicContact CB-CZ2 4.11Å; M160-W235 HydrophobicContact CB-CH2 4.47Å; M160-W235 HydrophobicContact CB-CZ3 3.96Å; M160-W235 HydrophobicContact CE-CH2 3.59Å; M160-W235 HydrophobicContact CE-CZ2 4.5Å; M160-W235 HydrophobicContact CE-CZ3 3.72Å; M160-W235 HydrophobicContact SD-CH2 4.38Å; M160-W235 HydrophobicContact SD-CZ3 3.9Å; V167-W235 HydrophobicContact CG1-CE3 4.09Å; V167-W235 HydrophobicContact CG1-CZ3 4.25Å; V167-W235 HydrophobicContact CG2-CE3 4.48Å; R170-W235 HydrophobicContact CB-CE3 4.02Å; R170-W235 HydrophobicContact CB-CH2 3.86Å; R170-W235 HydrophobicContact CB-CZ3 3.46Å; R170-W235 VanDerWaalsContact CB-CZ3 3.46Å; W235-F237 HydrophobicContact CB-CE2 4.14Å; W235-F237 HydrophobicContact CB-CZ 4.22Å; W235-F237 AromaticContact CD1-CD1 3.37Å; W235-F237 AromaticContact CD1-CD2 3.61Å; W235-F237 AromaticContact CD1-CE1 3.21Å; W235-F237 AromaticContact CD1-CE2 3.48Å; W235-F237 VanDerWaalsContact CD1-CE2 3.48Å; W235-F237 AromaticContact CD1-CG 3.56Å; W235-F237 AromaticContact CD1-CZ 3.27Å; W235-F237 HydrophobicContact CD2-CE1 4.49Å; W235-F237 HydrophobicContact CD2-CZ 4.5Å; W235-F237 HydrophobicContact CG-CD2 4.49Å; W235-F237 HydrophobicContact CG-CE1 4.02Å; W235-F237 HydrophobicContact CG-CE2 4.02Å; W235-F237 AromaticContact CG-CZ 3.75Å; W235-F237 HydrophobicContact CG-CZ 3.75Å; W235-F237 AromaticContact NE1-CD1 3.33Å; W235-F237 VanDerWaalsContact NE1-CD1 3.33Å; W235-F237 AromaticContact NE1-CE1 3.24Å; W235-F237 AromaticContact NE1-CG 3.94Å; W235-F237 AromaticContact NE1-CZ 3.8Å | ||
| 236 | M | 94.3 | Very high | 95.9 | Very high | 119 Ų | 119 | 71.8 Ų | 71.8 | 59% | 0.586 | 36% | 0.358 | S | S | * | . | trans | -89 | 109.4 | 169.9 | -60.9 | -61.4 | -66.8 | 0 | 0 | 109.3 | R170 Q234 | R170-M236 PolarHBondContact NH1-O 2.8Å; Q234-M236 PolarHBondContact O-N 2.8Å | ||
| 237 | F | 96.7 | Very high | 96.5 | Very high | 85 Ų | 85 | 61.7 Ų | 61.7 | 37% | 0.373 | 32% | 0.319 | S | S | . | . | P | Polyproline II helix | trans | -81.9 | 146.1 | 175.5 | -65.5 | -80.4 | 0 | 0 | 0 | 111 | A122 D123 V126 W235 | A122-F237 HydrophobicContact CB-CD1 4.25Å; A122-F237 HydrophobicContact CB-CE1 4.36Å; D123-F237 HydrophobicContact CB-CD1 4.3Å; D123-F237 HydrophobicContact CB-CE1 3.85Å; D123-F237 HydrophobicContact CB-CE2 4.47Å; D123-F237 HydrophobicContact CB-CZ 3.95Å; V126-F237 HydrophobicContact CB-CE1 4.33Å; V126-F237 HydrophobicContact CB-CZ 4.04Å; V126-F237 HydrophobicContact CG1-CZ 4.24Å; V126-F237 HydrophobicContact CG2-CE1 3.89Å; V126-F237 HydrophobicContact CG2-CZ 4.03Å; W235-F237 HydrophobicContact CB-CE2 4.14Å; W235-F237 HydrophobicContact CB-CZ 4.22Å; W235-F237 AromaticContact CD1-CD1 3.37Å; W235-F237 AromaticContact CD1-CD2 3.61Å; W235-F237 AromaticContact CD1-CE1 3.21Å; W235-F237 AromaticContact CD1-CE2 3.48Å; W235-F237 VanDerWaalsContact CD1-CE2 3.48Å; W235-F237 AromaticContact CD1-CG 3.56Å; W235-F237 AromaticContact CD1-CZ 3.27Å; W235-F237 HydrophobicContact CD2-CE1 4.49Å; W235-F237 HydrophobicContact CD2-CZ 4.5Å; W235-F237 HydrophobicContact CG-CD2 4.49Å; W235-F237 HydrophobicContact CG-CE1 4.02Å; W235-F237 HydrophobicContact CG-CE2 4.02Å; W235-F237 AromaticContact CG-CZ 3.75Å; W235-F237 HydrophobicContact CG-CZ 3.75Å; W235-F237 AromaticContact NE1-CD1 3.33Å; W235-F237 VanDerWaalsContact NE1-CD1 3.33Å; W235-F237 AromaticContact NE1-CE1 3.24Å; W235-F237 AromaticContact NE1-CG 3.94Å; W235-F237 AromaticContact NE1-CZ 3.8Å |
| 238 | H | 98.1 | Very high | 97 | Very high | 68 Ų | 68 | 57.5 Ų | 57.5 | 32% | 0.315 | 30% | 0.297 | S | S | . | . | P | Polyproline II helix | trans | -68 | 143.1 | 168.3 | -70.6 | -59.8 | 0 | 0 | 0 | 110.6 | Q173 E242 E243 | Q173-H238 PolarHBondContact OE1-CD2 2.82Å; H238-E242 VanDerWaalsContact CA-OE2 3.29Å; H238-E242 WeakPolarHBondContact CA-OE2 3.26Å; H238-E242 HydrophobicContact CB-CB 3.91Å; H238-E242 IonicContact ND1-OE2 3.41Å; H238-E243 HydrophobicContact CB-CG 3.78Å |
| 239 | T | 98.3 | Very high | 97.4 | Very high | 58 Ų | 58 | 52.7 Ų | 52.7 | 36% | 0.356 | 27% | 0.266 | S | S | . | . | P | Polyproline II helix | trans | -65.6 | 158.7 | 166.4 | 65.1 | 0 | 0 | 0 | 0 | 110 | Q241 E242 E243 | T239-Q241 PolarHBondContact O-N 3.19Å; T239-E242 PolarHBondContact N-OE2 2.8Å; T239-E242 WeakPolarHBondContact O-CB 3.38Å; T239-E242 PolarHBondContact O-N 3.36Å; T239-E242 VanDerWaalsContact O-N 3.08Å; T239-E242 VanDerWaalsContact OG1-CG 3.28Å; T239-E242 WeakPolarHBondContact OG1-CG 3.26Å; T239-E242 PolarHBondContact OG1-N 3.25Å; T239-E242 PolarHBondContact OG1-OE2 3.07Å; T239-E243 PolarHBondContact O-N 2.87Å |
| 240 | P | 98.3 | Very high | 97.6 | Very high | 36 Ų | 36 | 50 Ų | 50 | 23% | 0.234 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -56.1 | -34.5 | 176.7 | -26.2 | 35.1 | 0 | 0 | 0 | 113.6 | R120 E243 I244 | R120-P240 HydrophobicContact CG-CB 4.48Å; R120-P240 HydrophobicContact CG-CG 4.09Å; P240-E243 PolarHBondContact O-N 2.7Å; P240-I244 WeakPolarHBondContact O-CD1 3.08Å; P240-I244 WeakPolarHBondContact O-CG1 3.48Å; P240-I244 PolarHBondContact O-N 2.86Å |
| 241 | Q | 98.6 | Very high | 97.7 | Very high | 46 Ų | 46 | 46.5 Ų | 46.5 | 22% | 0.215 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -70.8 | -36.7 | 178.8 | -61.5 | 76.5 | 11.5 | 0 | 0 | 111.6 | T239 I244 S245 Y465 | T239-Q241 PolarHBondContact O-N 3.19Å; Q241-I244 PolarHBondContact O-N 2.97Å; Q241-S245 WeakPolarHBondContact O-CB 3.23Å; Q241-S245 PolarHBondContact O-N 3.46Å; Q241-Y465 HydrophobicContact CB-CD1 4.1Å; Q241-Y465 HydrophobicContact CB-CD2 3.87Å; Q241-Y465 HydrophobicContact CB-CG 3.63Å; Q241-Y465 HydrophobicContact CG-CG 4.41Å |
| 242 | E | 98.6 | Very high | 97.8 | Very high | 56 Ų | 56 | 40.3 Ų | 40.3 | 26% | 0.262 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -67.2 | -42.2 | 171.3 | -73.6 | 166.6 | 166.6 | 0 | 0 | 111.8 | H238 T239 I244 S245 L246 Y465 | H238-E242 VanDerWaalsContact CA-OE2 3.29Å; H238-E242 WeakPolarHBondContact CA-OE2 3.26Å; H238-E242 HydrophobicContact CB-CB 3.91Å; H238-E242 IonicContact ND1-OE2 3.41Å; T239-E242 PolarHBondContact N-OE2 2.8Å; T239-E242 WeakPolarHBondContact O-CB 3.38Å; T239-E242 PolarHBondContact O-N 3.36Å; T239-E242 VanDerWaalsContact O-N 3.08Å; T239-E242 VanDerWaalsContact OG1-CG 3.28Å; T239-E242 WeakPolarHBondContact OG1-CG 3.26Å; T239-E242 PolarHBondContact OG1-N 3.25Å; T239-E242 PolarHBondContact OG1-OE2 3.07Å; E242-I244 PolarHBondContact O-N 2.82Å; E242-S245 WeakPolarHBondContact CA-OG 3.5Å; E242-S245 PolarHBondContact O-N 3.18Å; E242-S245 VanDerWaalsContact O-N 3.15Å; E242-S245 PolarHBondContact O-OG 2.95Å; E242-L246 WeakPolarHBondContact O-CB 3.48Å; E242-L246 VanDerWaalsContact O-CG 3.27Å; E242-L246 WeakPolarHBondContact O-CG 3.4Å; E242-L246 PolarHBondContact O-N 3.15Å; E242-Y465 HydrophobicContact CG-CE2 3.84Å; E242-Y465 WeakPolarHBondContact CG-OH 3.21Å |
| 243 | E | 98.8 | Very high | 97.9 | Very high | 5 Ų | 5 | 36.8 Ų | 36.8 | 2% | 0.023 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60 | -38.3 | 174.7 | -68.7 | -158.7 | 168 | 0 | 0 | 111.5 | H117 L119 R120 Q173 F174 H238 T239 P240 G247 | H117-E243 IonicContact CD2-OE2 3.32Å; H117-E243 IonicContact CE1-OE2 3.35Å; H117-E243 IonicContact NE2-OE2 2.83Å; H117-E243 PolarHBondContact NE2-OE2 3.35Å; L119-E243 WeakPolarHBondContact CA-OE2 3.48Å; L119-E243 HydrophobicContact CD1-CB 3.67Å; L119-E243 WeakPolarHBondContact CD1-OE2 3.38Å; R120-E243 PolarHBondContact N-OE2 3.48Å; Q173-E243 PolarHBondContact NE2-OE1 2.95Å; F174-E243 HydrophobicContact CE2-CB 4.22Å; F174-E243 HydrophobicContact CE2-CG 4.05Å; F174-E243 HydrophobicContact CZ-CB 4.22Å; F174-E243 HydrophobicContact CZ-CG 4.26Å; H238-E243 HydrophobicContact CB-CG 3.78Å; T239-E243 PolarHBondContact O-N 2.87Å; P240-E243 PolarHBondContact O-N 2.7Å; E243-G247 PolarHBondContact O-N 2.82Å |
| 244 | I | 98.8 | Very high | 98 | Very high | 3 Ų | 3 | 34.2 Ų | 34.2 | 2% | 0.015 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -71 | -35.5 | 175.8 | -66.3 | 164.3 | 0 | 0 | 0 | 111.8 | L119 P240 Q241 E242 L246 P248 I454 D458 F462 | L119-I244 HydrophobicContact CD1-CD1 4.47Å; L119-I244 HydrophobicContact CD1-CG1 3.96Å; L119-I244 HydrophobicContact CD2-CD1 4.16Å; L119-I244 HydrophobicContact CD2-CG1 4.28Å; P240-I244 WeakPolarHBondContact O-CD1 3.08Å; P240-I244 WeakPolarHBondContact O-CG1 3.48Å; P240-I244 PolarHBondContact O-N 2.86Å; Q241-I244 PolarHBondContact O-N 2.97Å; E242-I244 PolarHBondContact O-N 2.82Å; I244-L246 VanDerWaalsContact C-N 3.34Å; I244-P248 VanDerWaalsContact O-CD 3.32Å; I244-P248 WeakPolarHBondContact O-CD 3.33Å; I244-I454 HydrophobicContact CD1-CG2 3.91Å; I244-I454 HydrophobicContact CG1-CD1 4.21Å; I244-I454 HydrophobicContact CG1-CG2 4.39Å; I244-I454 HydrophobicContact CG2-CD1 3.88Å; I244-D458 HydrophobicContact CD1-CB 3.85Å; I244-F462 HydrophobicContact CB-CD2 4Å; I244-F462 HydrophobicContact CB-CE2 4.49Å; I244-F462 HydrophobicContact CB-CG 4.24Å; I244-F462 HydrophobicContact CD1-CB 4.32Å; I244-F462 HydrophobicContact CG2-CB 4.03Å; I244-F462 HydrophobicContact CG2-CD1 3.77Å; I244-F462 HydrophobicContact CG2-CD2 3.57Å; I244-F462 HydrophobicContact CG2-CE1 4.09Å; I244-F462 HydrophobicContact CG2-CE2 3.91Å; I244-F462 HydrophobicContact CG2-CG 3.49Å; I244-F462 VanDerWaalsContact CG2-CG 3.49Å; I244-F462 HydrophobicContact CG2-CZ 4.15Å |
| 245 | S | 98.8 | Very high | 98.2 | Very high | 4 Ų | 4 | 28.9 Ų | 28.9 | 3% | 0.028 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -71.6 | -30.7 | 178.4 | 78.7 | 0 | 0 | 0 | 0 | 112.4 | Q241 E242 A249 S283 | Q241-S245 WeakPolarHBondContact O-CB 3.23Å; Q241-S245 PolarHBondContact O-N 3.46Å; E242-S245 WeakPolarHBondContact CA-OG 3.5Å; E242-S245 PolarHBondContact O-N 3.18Å; E242-S245 VanDerWaalsContact O-N 3.15Å; E242-S245 PolarHBondContact O-OG 2.95Å; S245-A249 WeakPolarHBondContact O-CB 3.4Å; S245-S283 WeakPolarHBondContact O-CB 3.5Å; S245-S283 PolarHBondContact O-OG 3.1Å |
| 246 | L | 98.8 | Very high | 98.3 | Very high | 31 Ų | 31 | 27.3 Ų | 27.3 | 16% | 0.162 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -97.9 | -52.6 | -173.4 | -63.6 | 173.4 | 0 | 0 | 0 | 113.4 | F174 E242 I244 A249 C250 L287 | F174-L246 HydrophobicContact CB-CB 3.73Å; F174-L246 HydrophobicContact CD2-CB 3.52Å; F174-L246 HydrophobicContact CD2-CD1 3.85Å; F174-L246 HydrophobicContact CD2-CG 4.34Å; F174-L246 HydrophobicContact CE2-CB 4.24Å; F174-L246 HydrophobicContact CG-CB 3.67Å; E242-L246 WeakPolarHBondContact O-CB 3.48Å; E242-L246 VanDerWaalsContact O-CG 3.27Å; E242-L246 WeakPolarHBondContact O-CG 3.4Å; E242-L246 PolarHBondContact O-N 3.15Å; I244-L246 VanDerWaalsContact C-N 3.34Å; L246-A249 WeakPolarHBondContact O-CB 3.34Å; L246-A249 PolarHBondContact O-N 3.17Å; L246-C250 PolarHBondContact O-N 3.17Å; L246-C250 PolarHBondContact O-SG 2.8Å; L246-C250 VanDerWaalsContact O-SG 3.39Å; L246-L287 HydrophobicContact CD2-CD1 4.02Å; L246-L287 HydrophobicContact CD2-CD2 3.77Å; L246-L287 HydrophobicContact CD2-CG 4.4Å |
| 247 | G | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -61.4 | -60.2 | -170.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | E243 A249 C250 W251 | E243-G247 PolarHBondContact O-N 2.82Å; G247-A249 PolarHBondContact O-N 3.12Å; G247-C250 PolarHBondContact O-N 3.23Å; G247-W251 WeakPolarHBondContact O-CB 3.38Å; G247-W251 PolarHBondContact O-N 3.39Å |
| 248 | P | 98.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 24.7 Ų | 24.7 | 1% | 0.006 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -55.8 | -32 | 172.8 | -27.5 | 34.9 | 0 | 0 | 0 | 114 | I244 W251 L252 I280 P450 I454 Y569 | I244-P248 VanDerWaalsContact O-CD 3.32Å; I244-P248 WeakPolarHBondContact O-CD 3.33Å; P248-W251 PolarHBondContact O-N 3.13Å; P248-L252 WeakPolarHBondContact O-CG 3.48Å; P248-L252 PolarHBondContact O-N 3.06Å; P248-I280 HydrophobicContact CB-CD1 3.88Å; P248-I280 HydrophobicContact CB-CG1 4.33Å; P248-I280 HydrophobicContact CB-CG2 3.73Å; P248-I280 HydrophobicContact CG-CD1 4.38Å; P248-P450 HydrophobicContact CB-CB 4.26Å; P248-I454 HydrophobicContact CG-CD1 4.26Å; P248-Y569 HydrophobicContact CB-CD2 4.42Å; P248-Y569 HydrophobicContact CB-CG 4.47Å; P248-Y569 HydrophobicContact CG-CD1 3.95Å; P248-Y569 HydrophobicContact CG-CD2 4.39Å; P248-Y569 HydrophobicContact CG-CE1 3.89Å; P248-Y569 HydrophobicContact CG-CE2 4.29Å; P248-Y569 HydrophobicContact CG-CG 4.22Å |
| 249 | A | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -69.6 | -48.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112 | S245 L246 G247 W251 L252 W253 I280 M284 L287 | S245-A249 WeakPolarHBondContact O-CB 3.4Å; L246-A249 WeakPolarHBondContact O-CB 3.34Å; L246-A249 PolarHBondContact O-N 3.17Å; G247-A249 PolarHBondContact O-N 3.12Å; A249-W251 VanDerWaalsContact C-N 3.26Å; A249-W251 PolarHBondContact O-N 3.47Å; A249-L252 PolarHBondContact O-N 3.26Å; A249-W253 PolarHBondContact O-N 2.98Å; A249-I280 HydrophobicContact CB-CG2 4.18Å; A249-M284 HydrophobicContact CB-CB 3.97Å; A249-M284 WeakPolarHBondContact O-CG 3.33Å; A249-L287 HydrophobicContact CB-CD1 4.04Å |
| 250 | C | 98.9 | Very high | 98.3 | Very high | 2 Ų | 2 | 23.5 Ų | 23.5 | 1% | 0.014 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -60.9 | -37.5 | 173 | -65.8 | 0 | 0 | 0 | 0 | 111.4 | Y154 L176 L246 G247 W253 D254 | Y154-C250 HydrophobicContact CD2-CB 4.43Å; Y154-C250 HydrophobicContact CE2-CB 3.42Å; Y154-C250 VanDerWaalsContact CE2-CB 3.42Å; Y154-C250 WeakPolarHBondContact OH-CB 3.29Å; L176-C250 HydrophobicContact CD2-CB 4.26Å; L246-C250 PolarHBondContact O-N 3.17Å; L246-C250 PolarHBondContact O-SG 2.8Å; L246-C250 VanDerWaalsContact O-SG 3.39Å; G247-C250 PolarHBondContact O-N 3.23Å; C250-W253 PolarHBondContact O-N 3.29Å; C250-D254 PolarHBondContact O-N 3.2Å |
| 251 | W | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -63.9 | -45.4 | 175.8 | -177.7 | 81.7 | 0 | 0 | 0 | 113 | D151 Y154 G247 P248 A249 W253 D254 Y255 I448 P450 Y569 | D151-W251 PolarHBondContact O-NE1 3Å; Y154-W251 HydrophobicContact CD2-CB 3.76Å; Y154-W251 HydrophobicContact CD2-CG 4.48Å; Y154-W251 HydrophobicContact CG-CB 4.36Å; G247-W251 WeakPolarHBondContact O-CB 3.38Å; G247-W251 PolarHBondContact O-N 3.39Å; P248-W251 PolarHBondContact O-N 3.13Å; A249-W251 VanDerWaalsContact C-N 3.26Å; A249-W251 PolarHBondContact O-N 3.47Å; W251-W253 VanDerWaalsContact C-N 3.29Å; W251-W253 PolarHBondContact O-N 3.39Å; W251-D254 PolarHBondContact O-N 3.46Å; W251-Y255 AromaticContact CD2-CD2 3.88Å; W251-Y255 HydrophobicContact CD2-CD2 3.88Å; W251-Y255 HydrophobicContact CD2-CE2 4.05Å; W251-Y255 AromaticContact CE2-CD2 3.51Å; W251-Y255 AromaticContact CE2-CE2 3.19Å; W251-Y255 HydrophobicContact CE3-CD2 4.42Å; W251-Y255 HydrophobicContact CG-CD2 4.31Å; W251-Y255 HydrophobicContact CH2-CD2 4.33Å; W251-Y255 HydrophobicContact CH2-CE2 4.09Å; W251-Y255 AromaticContact CZ2-CD2 3.75Å; W251-Y255 HydrophobicContact CZ2-CD2 3.75Å; W251-Y255 AromaticContact CZ2-CE2 3.21Å; W251-Y255 HydrophobicContact CZ2-CE2 3.21Å; W251-Y255 AromaticContact CZ2-CZ 3.73Å; W251-Y255 AromaticContact NE1-CD2 3.74Å; W251-Y255 AromaticContact NE1-CE2 3.28Å; W251-Y255 VanDerWaalsContact NE1-CE2 3.28Å; W251-Y255 PolarHBondContact O-N 3.2Å; W251-I448 HydrophobicContact CH2-CB 3.84Å; W251-I448 HydrophobicContact CH2-CD1 4.39Å; W251-I448 HydrophobicContact CH2-CG2 4.14Å; W251-I448 HydrophobicContact CZ3-CB 4.27Å; W251-I448 HydrophobicContact CZ3-CD1 4.21Å; W251-P450 HydrophobicContact CE3-CB 4.46Å; W251-P450 HydrophobicContact CZ3-CB 4.26Å; W251-Y569 HydrophobicContact CB-CD2 3.66Å; W251-Y569 HydrophobicContact CB-CE2 3.71Å; W251-Y569 AromaticContact CD1-CD2 3.98Å; W251-Y569 AromaticContact CD2-CD2 3.7Å; W251-Y569 HydrophobicContact CD2-CD2 3.7Å; W251-Y569 HydrophobicContact CE3-CD2 4.08Å; W251-Y569 AromaticContact CG-CD2 3.52Å; W251-Y569 HydrophobicContact CG-CD2 3.52Å; W251-Y569 AromaticContact CG-CE2 3.99Å; W251-Y569 HydrophobicContact CG-CE2 3.99Å |
| 252 | L | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -61.3 | -39.4 | 174.3 | -76 | -176.3 | 0 | 0 | 0 | 111.6 | P248 A249 Y255 L256 F264 I280 V281 M284 L425 I448 P450 | P248-L252 WeakPolarHBondContact O-CG 3.48Å; P248-L252 PolarHBondContact O-N 3.06Å; A249-L252 PolarHBondContact O-N 3.26Å; L252-Y255 PolarHBondContact O-N 2.88Å; L252-L256 WeakPolarHBondContact O-CB 3.34Å; L252-L256 PolarHBondContact O-N 2.94Å; L252-F264 HydrophobicContact CB-CE2 4.4Å; L252-F264 HydrophobicContact CB-CZ 3.97Å; L252-F264 HydrophobicContact CD2-CE1 4.17Å; L252-F264 HydrophobicContact CD2-CZ 4.14Å; L252-F264 HydrophobicContact CG-CZ 4.49Å; L252-I280 HydrophobicContact CD1-CG2 3.74Å; L252-I280 HydrophobicContact CG-CG2 4.5Å; L252-V281 HydrophobicContact CD1-CG2 3.83Å; L252-M284 HydrophobicContact CB-SD 3.97Å; L252-L425 HydrophobicContact CD2-CD2 3.95Å; L252-I448 HydrophobicContact CD2-CD1 3.64Å; L252-I448 HydrophobicContact CD2-CG1 4.45Å; L252-P450 HydrophobicContact CD1-CB 4.06Å; L252-P450 HydrophobicContact CD1-CG 4.14Å; L252-P450 HydrophobicContact CD2-CB 4.1Å; L252-P450 HydrophobicContact CD2-CG 4.36Å; L252-P450 HydrophobicContact CG-CB 4.08Å |
| 253 | W | 98.8 | Very high | 98.1 | Very high | 1 Ų | 1 | 20.3 Ų | 20.3 | 0% | 0.004 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -61.3 | -47.7 | 176.7 | 175.2 | -121.4 | 0 | 0 | 0 | 112.1 | L176 A249 C250 W251 Y255 L256 R257 M284 L288 V299 D302 V303 V306 | L176-W253 HydrophobicContact CD2-CB 4.31Å; L176-W253 HydrophobicContact CD2-CG 4.21Å; A249-W253 PolarHBondContact O-N 2.98Å; C250-W253 PolarHBondContact O-N 3.29Å; W251-W253 VanDerWaalsContact C-N 3.29Å; W251-W253 PolarHBondContact O-N 3.39Å; W253-Y255 VanDerWaalsContact C-N 3.33Å; W253-Y255 PolarHBondContact O-N 3.27Å; W253-L256 HydrophobicContact CE3-CD2 4.48Å; W253-L256 HydrophobicContact CZ3-CD2 4.42Å; W253-L256 PolarHBondContact O-N 3.31Å; W253-R257 HydrophobicContact CD2-CB 4.49Å; W253-R257 HydrophobicContact CH2-CB 4.31Å; W253-R257 HydrophobicContact CZ2-CB 4.2Å; W253-R257 WeakPolarHBondContact O-CG 3.5Å; W253-R257 PolarHBondContact O-N 3.34Å; W253-M284 HydrophobicContact CB-CG 3.94Å; W253-M284 HydrophobicContact CB-SD 3.99Å; W253-M284 HydrophobicContact CE3-SD 4.46Å; W253-L288 HydrophobicContact CD2-CD1 4.26Å; W253-L288 HydrophobicContact CD2-CD2 3.52Å; W253-L288 HydrophobicContact CD2-CG 4.38Å; W253-L288 VanDerWaalsContact CE2-CD2 3.41Å; W253-L288 HydrophobicContact CE3-CD1 3.71Å; W253-L288 HydrophobicContact CE3-CD2 3.76Å; W253-L288 HydrophobicContact CE3-CG 4.32Å; W253-L288 HydrophobicContact CG-CD2 4.12Å; W253-L288 HydrophobicContact CH2-CD1 4.46Å; W253-L288 HydrophobicContact CH2-CD2 3.82Å; W253-L288 HydrophobicContact CZ2-CD2 3.56Å; W253-L288 HydrophobicContact CZ3-CD1 3.84Å; W253-L288 HydrophobicContact CZ3-CD2 3.91Å; W253-V299 HydrophobicContact CZ2-CG1 4.44Å; W253-D302 HydrophobicContact CH2-CB 3.86Å; W253-D302 HydrophobicContact CZ2-CB 3.54Å; W253-V303 HydrophobicContact CH2-CB 4.47Å; W253-V303 HydrophobicContact CH2-CG2 3.66Å; W253-V303 HydrophobicContact CZ2-CG2 4.2Å; W253-V303 HydrophobicContact CZ3-CG2 4.34Å; W253-V306 HydrophobicContact CZ3-CG2 4.49Å |
| 254 | D | 98.7 | Very high | 98.1 | Very high | 11 Ų | 11 | 20.1 Ų | 20.1 | 6% | 0.059 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -61.2 | -41.9 | 176.6 | -79.4 | -21.7 | 0 | 0 | 0 | 112.2 | G147 C148 C250 W251 R257 R258 | G147-D254 WeakPolarHBondContact CA-OD2 3.4Å; C148-D254 HydrophobicContact CB-CB 3.67Å; C148-D254 PolarHBondContact N-OD2 3.49Å; C250-D254 PolarHBondContact O-N 3.2Å; W251-D254 PolarHBondContact O-N 3.46Å; D254-R257 IonicContact OD1-CZ 3.27Å; D254-R257 IonicContact OD1-NE 3.73Å; D254-R257 PolarHBondContact OD1-NE 3.12Å; D254-R257 IonicContact OD1-NH2 3.88Å; D254-R257 PolarHBondContact OD1-NH2 3.49Å; D254-R258 WeakPolarHBondContact O-CB 3.28Å; D254-R258 WeakPolarHBondContact O-CG 3.3Å; D254-R258 PolarHBondContact O-N 3.31Å; D254-R258 VanDerWaalsContact O-N 3.08Å; D254-R258 IonicContact OD1-NH2 3.5Å; D254-R258 IonicContact OD2-NH2 2.99Å |
| 255 | Y | 98.3 | Very high | 98.1 | Very high | 48 Ų | 48 | 20 Ų | 20 | 19% | 0.188 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -59.7 | -48.7 | 173.6 | -101.8 | -90.6 | 0 | 0 | 0 | 112.1 | C148 D151 W251 L252 W253 S259 I448 | C148-Y255 WeakPolarHBondContact SG-CE2 3.38Å; D151-Y255 WeakPolarHBondContact O-CE2 3.42Å; D151-Y255 PolarHBondContact O-OH 3.12Å; W251-Y255 AromaticContact CD2-CD2 3.88Å; W251-Y255 HydrophobicContact CD2-CD2 3.88Å; W251-Y255 HydrophobicContact CD2-CE2 4.05Å; W251-Y255 AromaticContact CE2-CD2 3.51Å; W251-Y255 AromaticContact CE2-CE2 3.19Å; W251-Y255 HydrophobicContact CE3-CD2 4.42Å; W251-Y255 HydrophobicContact CG-CD2 4.31Å; W251-Y255 HydrophobicContact CH2-CD2 4.33Å; W251-Y255 HydrophobicContact CH2-CE2 4.09Å; W251-Y255 AromaticContact CZ2-CD2 3.75Å; W251-Y255 HydrophobicContact CZ2-CD2 3.75Å; W251-Y255 AromaticContact CZ2-CE2 3.21Å; W251-Y255 HydrophobicContact CZ2-CE2 3.21Å; W251-Y255 AromaticContact CZ2-CZ 3.73Å; W251-Y255 AromaticContact NE1-CD2 3.74Å; W251-Y255 AromaticContact NE1-CE2 3.28Å; W251-Y255 VanDerWaalsContact NE1-CE2 3.28Å; W251-Y255 PolarHBondContact O-N 3.2Å; L252-Y255 PolarHBondContact O-N 2.88Å; W253-Y255 VanDerWaalsContact C-N 3.33Å; W253-Y255 PolarHBondContact O-N 3.27Å; Y255-S259 WeakPolarHBondContact O-CB 3.49Å; Y255-S259 PolarHBondContact O-N 3.38Å; Y255-S259 PolarHBondContact O-OG 3.01Å; Y255-I448 HydrophobicContact CD1-CD1 3.98Å; Y255-I448 HydrophobicContact CD1-CG2 3.91Å; Y255-I448 HydrophobicContact CE1-CG2 3.63Å; Y255-I448 HydrophobicContact CG-CD1 3.97Å |
| 256 | L | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -63.7 | -53.5 | -177.3 | -178.7 | 57 | 0 | 0 | 0 | 111.1 | L252 W253 R258 S259 Q261 F264 V306 L324 | L252-L256 WeakPolarHBondContact O-CB 3.34Å; L252-L256 PolarHBondContact O-N 2.94Å; W253-L256 HydrophobicContact CE3-CD2 4.48Å; W253-L256 HydrophobicContact CZ3-CD2 4.42Å; W253-L256 PolarHBondContact O-N 3.31Å; L256-R258 VanDerWaalsContact C-N 3.26Å; L256-R258 PolarHBondContact O-N 3.05Å; L256-S259 PolarHBondContact O-N 3.4Å; L256-S259 PolarHBondContact O-OG 2.92Å; L256-S259 VanDerWaalsContact O-OG 3.06Å; L256-Q261 HydrophobicContact CD1-CB 4.27Å; L256-F264 HydrophobicContact CB-CE1 4.46Å; L256-F264 HydrophobicContact CB-CE2 4.11Å; L256-F264 HydrophobicContact CB-CZ 3.69Å; L256-F264 HydrophobicContact CD1-CZ 4.4Å; L256-F264 HydrophobicContact CD2-CD2 4.27Å; L256-F264 HydrophobicContact CD2-CE2 3.67Å; L256-F264 HydrophobicContact CD2-CZ 4.12Å; L256-F264 HydrophobicContact CG-CE2 4.33Å; L256-F264 HydrophobicContact CG-CZ 4.29Å; L256-V306 HydrophobicContact CD1-CG1 4.1Å; L256-V306 HydrophobicContact CD2-CG1 3.81Å; L256-V306 HydrophobicContact CG-CG1 3.87Å; L256-V306 HydrophobicContact CG-CG2 4.41Å; L256-L324 HydrophobicContact CD2-CD1 4.43Å; L256-L324 HydrophobicContact CD2-CD2 4.36Å |
| 257 | R | 97.3 | Very high | 98.1 | Very high | 22 Ų | 22 | 19.3 Ų | 19.3 | 8% | 0.083 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -64.1 | -33.3 | -176.3 | 80.3 | -172.5 | 174.2 | 109.1 | -8 | 111.3 | D178 W253 D254 D302 R305 | D178-R257 IonicContact OD1-CZ 3.78Å; D178-R257 IonicContact OD1-NH1 3.03Å; D178-R257 PolarHBondContact OD1-NH1 3.03Å; D178-R257 IonicContact OD1-NH2 3.85Å; D178-R257 PolarHBondContact OD1-NH2 3.37Å; D178-R257 IonicContact OD2-NH1 3.51Å; D178-R257 PolarHBondContact OD2-NH1 3.4Å; W253-R257 HydrophobicContact CD2-CB 4.49Å; W253-R257 HydrophobicContact CH2-CB 4.31Å; W253-R257 HydrophobicContact CZ2-CB 4.2Å; W253-R257 WeakPolarHBondContact O-CG 3.5Å; W253-R257 PolarHBondContact O-N 3.34Å; D254-R257 IonicContact OD1-CZ 3.27Å; D254-R257 IonicContact OD1-NE 3.73Å; D254-R257 PolarHBondContact OD1-NE 3.12Å; D254-R257 IonicContact OD1-NH2 3.88Å; D254-R257 PolarHBondContact OD1-NH2 3.49Å; R257-D302 HydrophobicContact CB-CB 4.39Å; R257-D302 IonicContact NH1-OD2 3.56Å; R257-R305 VanDerWaalsContact O-CZ 3.26Å; R257-R305 PolarHBondContact O-NH1 3.34Å; R257-R305 PolarHBondContact O-NH2 3.18Å |
| 258 | R | 97.8 | Very high | 98 | Very high | 127 Ų | 127 | 19.4 Ų | 19.4 | 48% | 0.479 | 11% | 0.106 | S | C | . | . | H | α-helix | trans | -90.1 | -23.3 | -176.7 | -61 | 176.6 | -173.5 | -177.1 | 11.9 | 114.4 | C148 D254 L256 G260 | C148-R258 PolarHBondContact O-NH1 3.38Å; C148-R258 PolarHBondContact O-NH2 3.03Å; D254-R258 WeakPolarHBondContact O-CB 3.28Å; D254-R258 WeakPolarHBondContact O-CG 3.3Å; D254-R258 PolarHBondContact O-N 3.31Å; D254-R258 VanDerWaalsContact O-N 3.08Å; D254-R258 IonicContact OD1-NH2 3.5Å; D254-R258 IonicContact OD2-NH2 2.99Å; L256-R258 VanDerWaalsContact C-N 3.26Å; L256-R258 PolarHBondContact O-N 3.05Å; R258-G260 VanDerWaalsContact C-N 3.3Å; R258-G260 PolarHBondContact O-N 3.39Å |
| 259 | S | 96.9 | Very high | 97.9 | Very high | 48 Ų | 48 | 22.4 Ų | 22.4 | 34% | 0.336 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -74.6 | -18 | 179.3 | 62.2 | 0 | 0 | 0 | 0 | 114.2 | Y255 L256 Q261 | Y255-S259 WeakPolarHBondContact O-CB 3.49Å; Y255-S259 PolarHBondContact O-N 3.38Å; Y255-S259 PolarHBondContact O-OG 3.01Å; L256-S259 PolarHBondContact O-N 3.4Å; L256-S259 PolarHBondContact O-OG 2.92Å; L256-S259 VanDerWaalsContact O-OG 3.06Å; S259-Q261 PolarHBondContact O-N 2.88Å; S259-Q261 WeakPolarHBondContact OG-CG 3.37Å; S259-Q261 PolarHBondContact OG-N 2.84Å |
| 260 | G | 94.4 | Very high | 97.6 | Very high | 53 Ų | 53 | 22.5 Ų | 22.5 | 55% | 0.546 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.8 | 11.7 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | R258 | R258-G260 VanDerWaalsContact C-N 3.3Å; R258-G260 PolarHBondContact O-N 3.39Å |
| 261 | Q | 96.8 | Very high | 97.5 | Very high | 64 Ų | 64 | 23.6 Ų | 23.6 | 30% | 0.299 | 14% | 0.14 | S | C | . | . | trans | -81.6 | 158.8 | 177.2 | -61.9 | -59.6 | -40.2 | 0 | 0 | 112 | L256 S259 G421 L423 | L256-Q261 HydrophobicContact CD1-CB 4.27Å; S259-Q261 PolarHBondContact O-N 2.88Å; S259-Q261 WeakPolarHBondContact OG-CG 3.37Å; S259-Q261 PolarHBondContact OG-N 2.84Å; Q261-G421 PolarHBondContact OE1-O 3.2Å; Q261-L423 HydrophobicContact CB-CD1 4.41Å; Q261-L423 HydrophobicContact CB-CG 3.97Å; Q261-L423 HydrophobicContact CG-CD1 4.37Å; Q261-L423 HydrophobicContact CG-CD2 3.76Å; Q261-L423 HydrophobicContact CG-CG 3.74Å | ||
| 262 | G | 95.8 | Very high | 97.3 | Very high | 7 Ų | 7 | 24.6 Ų | 24.6 | 7% | 0.072 | 15% | 0.146 | C | C | . | . | trans | -93.7 | 2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | G421 | G262-G421 PolarHBondContact N-O 3.26Š| ||
| 263 | G | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 15% | 0.15 | C | C | . | . | trans | 156.1 | -158.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | L324 L422 L423 | G263-L324 CarbonylContact C-O 3.2Å; G263-L324 WeakPolarHBondContact CA-O 3.31Å; G263-L422 WeakPolarHBondContact O-CA 3.32Å; G263-L423 PolarHBondContact O-N 3.06Å | ||
| 264 | F | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 148.3 | -178.9 | -62.8 | -67.1 | 0 | 0 | 0 | 112.3 | L252 L256 V281 M284 L324 F325 T326 L423 L425 I448 | L252-F264 HydrophobicContact CB-CE2 4.4Å; L252-F264 HydrophobicContact CB-CZ 3.97Å; L252-F264 HydrophobicContact CD2-CE1 4.17Å; L252-F264 HydrophobicContact CD2-CZ 4.14Å; L252-F264 HydrophobicContact CG-CZ 4.49Å; L256-F264 HydrophobicContact CB-CE1 4.46Å; L256-F264 HydrophobicContact CB-CE2 4.11Å; L256-F264 HydrophobicContact CB-CZ 3.69Å; L256-F264 HydrophobicContact CD1-CZ 4.4Å; L256-F264 HydrophobicContact CD2-CD2 4.27Å; L256-F264 HydrophobicContact CD2-CE2 3.67Å; L256-F264 HydrophobicContact CD2-CZ 4.12Å; L256-F264 HydrophobicContact CG-CE2 4.33Å; L256-F264 HydrophobicContact CG-CZ 4.29Å; F264-V281 HydrophobicContact CD2-CG1 4.36Å; F264-M284 HydrophobicContact CD2-CE 4.47Å; F264-M284 HydrophobicContact CE2-CE 3.89Å; F264-M284 HydrophobicContact CE2-SD 4Å; F264-L324 PolarHBondContact N-O 3.49Å; F264-F325 HydrophobicContact CB-CD2 3.8Å; F264-F325 HydrophobicContact CB-CE2 4.2Å; F264-T326 PolarHBondContact O-N 2.96Å; F264-L423 CarbonylContact C-O 3.57Å; F264-L423 WeakPolarHBondContact CA-O 3.36Å; F264-L423 HydrophobicContact CD1-CB 3.77Å; F264-L423 HydrophobicContact CD1-CD1 4.36Å; F264-L423 HydrophobicContact CE1-CB 4.07Å; F264-L423 HydrophobicContact CE1-CD1 3.82Å; F264-L425 HydrophobicContact CB-CD1 3.86Å; F264-L425 HydrophobicContact CB-CG 4.1Å; F264-L425 HydrophobicContact CD1-CD1 3.99Å; F264-L425 HydrophobicContact CD1-CD2 3.56Å; F264-L425 HydrophobicContact CD1-CG 3.84Å; F264-L425 HydrophobicContact CE1-CD2 3.91Å; F264-L425 HydrophobicContact CG-CD1 3.93Å; F264-L425 HydrophobicContact CG-CD2 4.34Å; F264-L425 HydrophobicContact CG-CG 4.2Å; F264-I448 HydrophobicContact CE1-CD1 4.26Å |
| 265 | L | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 128.4 | 163.8 | -176.3 | 144.4 | 0 | 0 | 0 | 109.8 | P267 T326 A405 F408 A409 L422 L423 V424 L425 | L265-P267 HydrophobicContact CD2-CG 4.29Å; L265-T326 CarbonylContact C-O 3.49Å; L265-T326 VanDerWaalsContact CA-O 3.27Å; L265-T326 WeakPolarHBondContact CA-O 3.3Å; L265-A405 HydrophobicContact CD2-CB 3.93Å; L265-F408 HydrophobicContact CD1-CB 3.43Å; L265-F408 VanDerWaalsContact CD1-CB 3.43Å; L265-A409 HydrophobicContact CB-CB 4.06Å; L265-A409 HydrophobicContact CD1-CB 4.12Å; L265-L422 HydrophobicContact CB-CB 4.02Å; L265-L422 HydrophobicContact CB-CD1 4.03Å; L265-L422 HydrophobicContact CD1-CD1 4.45Å; L265-L423 PolarHBondContact N-O 3.25Å; L265-V424 HydrophobicContact CD2-CG1 4.41Å; L265-V424 CarbonylContact O-C 3.57Å; L265-V424 WeakPolarHBondContact O-CA 3.46Å; L265-L425 PolarHBondContact O-N 3.06Å |
| 266 | L | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 122.8 | 173.8 | 174.4 | 67.6 | 0 | 0 | 0 | 111.2 | L268 S274 T277 A278 F325 T326 T327 C328 L425 S427 | L266-L268 HydrophobicContact CD2-CD1 4.06Å; L266-L268 PolarHBondContact O-N 3.49Å; L266-S274 WeakPolarHBondContact CD2-O 3.47Å; L266-T277 HydrophobicContact CD1-CG2 3.74Å; L266-T277 HydrophobicContact CD2-CG2 4.06Å; L266-T277 HydrophobicContact CG-CG2 4.49Å; L266-A278 HydrophobicContact CD2-CB 3.95Å; L266-F325 HydrophobicContact CB-CE2 3.44Å; L266-F325 VanDerWaalsContact CB-CE2 3.44Å; L266-F325 HydrophobicContact CB-CZ 3.6Å; L266-F325 HydrophobicContact CD2-CE2 4.35Å; L266-F325 HydrophobicContact CD2-CZ 3.64Å; L266-F325 HydrophobicContact CG-CZ 4.26Å; L266-T326 PolarHBondContact N-O 3.09Å; L266-T327 CarbonylContact O-C 3.52Å; L266-T327 WeakPolarHBondContact O-CA 3.1Å; L266-C328 PolarHBondContact O-N 3.16Å; L266-L425 HydrophobicContact CB-CB 4.46Å; L266-L425 HydrophobicContact CD1-CB 4.03Å; L266-S427 WeakPolarHBondContact CD1-OG 3.3Å |
| 267 | P | 98.4 | Very high | 97.3 | Very high | 21 Ų | 21 | 22.6 Ų | 22.6 | 14% | 0.136 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 100.6 | 161.7 | -20.2 | 35.2 | 0 | 0 | 0 | 110.2 | L265 C328 M330 A405 C443 | L265-P267 HydrophobicContact CD2-CG 4.29Å; P267-C328 CarbonylContact C-O 3.5Å; P267-C328 WeakPolarHBondContact CA-O 3.42Å; P267-M330 HydrophobicContact CB-CE 4.07Å; P267-M330 HydrophobicContact CG-CE 4.19Å; P267-A405 HydrophobicContact CG-CB 3.84Å; P267-C443 HydrophobicContact CB-CB 4.32Å; P267-C443 HydrophobicContact CG-CB 4.2Å |
| 268 | L | 98.1 | Very high | 97.3 | Very high | 2 Ų | 2 | 21.5 Ų | 21.5 | 1% | 0.01 | 14% | 0.135 | C | C | . | . | trans | -95.5 | 111.4 | -174.2 | -174.1 | 65 | 0 | 0 | 0 | 109.8 | L266 A278 T327 C328 Y329 A343 L346 A347 | L266-L268 HydrophobicContact CD2-CD1 4.06Å; L266-L268 PolarHBondContact O-N 3.49Å; L268-A278 HydrophobicContact CD1-CB 4.28Å; L268-T327 HydrophobicContact CB-CG2 4.47Å; L268-T327 HydrophobicContact CD2-CG2 4.1Å; L268-C328 PolarHBondContact N-O 3.11Å; L268-Y329 WeakPolarHBondContact O-CA 3.39Å; L268-Y329 WeakPolarHBondContact O-CD2 3.35Å; L268-A343 HydrophobicContact CD2-CB 4.12Å; L268-A343 VanDerWaalsContact CD2-O 3.3Å; L268-A343 WeakPolarHBondContact CD2-O 3.35Å; L268-A343 HydrophobicContact CG-CB 4.05Å; L268-L346 HydrophobicContact CD1-CD2 4.48Å; L268-A347 HydrophobicContact CD2-CB 4.14Å | ||
| 269 | S | 95.5 | Very high | 97.4 | Very high | 65 Ų | 65 | 15.5 Ų | 15.5 | 46% | 0.455 | 11% | 0.112 | S | C | . | . | trans | -91.2 | -13.8 | -174.2 | 62 | 0 | 0 | 0 | 0 | 114.7 | G271 S274 | S269-G271 PolarHBondContact OG-N 3.01Å; S269-S274 PolarHBondContact N-OG 3.36Å; S269-S274 PolarHBondContact OG-OG 3.35Å | ||
| 270 | G | 93.8 | Very high | 97.5 | Very high | 1 Ų | 1 | 13.2 Ų | 13.2 | 1% | 0.01 | 10% | 0.096 | C | C | . | . | S | Bend | trans | 75.4 | 14.2 | -170.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | R342 | G270-R342 PolarHBondContact O-NE 3.19Å; G270-R342 VanDerWaalsContact O-NE 3.09Å |
| 271 | G | 94.9 | Very high | 97.7 | Very high | 26 Ų | 26 | 10.7 Ų | 10.7 | 27% | 0.268 | 7% | 0.07 | S | C | . | . | S | Bend | trans | -101.5 | 174.7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | S269 D273 S275 | S269-G271 PolarHBondContact OG-N 3.01Å; G271-D273 PolarHBondContact O-N 2.98Å; G271-S275 VanDerWaalsContact O-CB 3.25Å; G271-S275 WeakPolarHBondContact O-CB 3.44Å; G271-S275 PolarHBondContact O-N 2.75Å; G271-S275 PolarHBondContact O-OG 2.79Å |
| 272 | V | 96.4 | Very high | 97.8 | Very high | 21 Ų | 21 | 8.1 Ų | 8.1 | 13% | 0.127 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -54.8 | -52.5 | -174.5 | 170.7 | 0 | 0 | 0 | 0 | 112.2 | S275 S276 L459 K460 L463 I478 | V272-S275 CarbonylContact O-C 3.58Å; V272-S275 WeakPolarHBondContact O-CB 3.4Å; V272-S275 PolarHBondContact O-N 3.27Å; V272-S276 PolarHBondContact O-N 3.41Å; V272-S276 PolarHBondContact O-OG 3.24Å; V272-S276 VanDerWaalsContact O-OG 3.08Å; V272-L459 HydrophobicContact CG1-CB 4.23Å; V272-K460 HydrophobicContact CG1-CG 4.1Å; V272-K460 HydrophobicContact CG2-CG 4.48Å; V272-L463 HydrophobicContact CB-CD1 4.24Å; V272-L463 HydrophobicContact CG1-CD1 3.85Å; V272-L463 HydrophobicContact CG2-CD1 4.42Å; V272-I478 HydrophobicContact CG2-CG2 4.39Å |
| 273 | D | 97.3 | Very high | 97.9 | Very high | 14 Ų | 14 | 8 Ų | 8 | 8% | 0.075 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -71.6 | -43.9 | -165.5 | -55.5 | -3.3 | 0 | 0 | 0 | 113.6 | G271 S275 S276 T277 S427 N429 I451 K456 | G271-D273 PolarHBondContact O-N 2.98Å; D273-S275 VanDerWaalsContact C-N 3.27Å; D273-S275 PolarHBondContact O-N 2.93Å; D273-S276 PolarHBondContact O-N 2.9Å; D273-T277 PolarHBondContact O-N 3.25Å; D273-T277 PolarHBondContact O-OG1 3.32Å; D273-T277 VanDerWaalsContact O-OG1 3.13Å; D273-S427 WeakPolarHBondContact CB-O 3.41Å; D273-N429 PolarHBondContact OD2-ND2 3.44Å; D273-I451 HydrophobicContact CB-CD1 3.76Å; D273-I451 VanDerWaalsContact O-CD1 3.25Å; D273-I451 WeakPolarHBondContact O-CD1 3.49Å; D273-K456 WeakPolarHBondContact OD1-CD 3.48Å; D273-K456 WeakPolarHBondContact OD1-CE 3.39Å; D273-K456 IonicContact OD1-NZ 2.85Å; D273-K456 PolarHBondContact OD1-NZ 2.86Å; D273-K456 IonicContact OD2-NZ 2.82Å; D273-K456 PolarHBondContact OD2-NZ 2.8Å |
| 274 | S | 98 | Very high | 97.9 | Very high | 3 Ų | 3 | 8 Ų | 8 | 2% | 0.021 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -66 | -35.1 | 174.7 | 62.1 | 0 | 0 | 0 | 0 | 111 | L266 S269 T277 A278 S427 | L266-S274 WeakPolarHBondContact CD2-O 3.47Å; S269-S274 PolarHBondContact N-OG 3.36Å; S269-S274 PolarHBondContact OG-OG 3.35Å; S274-T277 WeakPolarHBondContact O-CB 3.3Å; S274-T277 PolarHBondContact O-N 3.35Å; S274-A278 PolarHBondContact O-N 3.31Å; S274-S427 WeakPolarHBondContact CA-OG 3.49Å |
| 275 | S | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 8 Ų | 8 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -65.2 | -39.1 | 173 | -55.3 | 0 | 0 | 0 | 0 | 112.1 | G271 V272 D273 T277 A278 C279 L346 I478 | G271-S275 VanDerWaalsContact O-CB 3.25Å; G271-S275 WeakPolarHBondContact O-CB 3.44Å; G271-S275 PolarHBondContact O-N 2.75Å; G271-S275 PolarHBondContact O-OG 2.79Å; V272-S275 CarbonylContact O-C 3.58Å; V272-S275 WeakPolarHBondContact O-CB 3.4Å; V272-S275 PolarHBondContact O-N 3.27Å; D273-S275 VanDerWaalsContact C-N 3.27Å; D273-S275 PolarHBondContact O-N 2.93Å; S275-T277 VanDerWaalsContact C-N 3.33Å; S275-T277 PolarHBondContact O-N 3.04Å; S275-A278 WeakPolarHBondContact O-CB 3.19Å; S275-A278 PolarHBondContact O-N 2.91Å; S275-C279 PolarHBondContact O-N 2.82Å; S275-C279 PolarHBondContact O-SG 2.98Å; S275-L346 WeakPolarHBondContact OG-CD2 3.42Å; S275-I478 WeakPolarHBondContact OG-CD1 3.14Å |
| 276 | S | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -63 | -41.1 | 174.5 | -58.2 | 0 | 0 | 0 | 0 | 111.6 | V272 D273 A278 C279 I280 L463 | V272-S276 PolarHBondContact O-N 3.41Å; V272-S276 PolarHBondContact O-OG 3.24Å; V272-S276 VanDerWaalsContact O-OG 3.08Å; D273-S276 PolarHBondContact O-N 2.9Å; S276-A278 VanDerWaalsContact C-N 3.32Å; S276-A278 PolarHBondContact O-N 2.96Å; S276-C279 PolarHBondContact O-N 3.34Å; S276-I280 WeakPolarHBondContact O-CG1 3.44Å; S276-I280 PolarHBondContact O-N 2.98Å; S276-L463 WeakPolarHBondContact OG-CG 3.42Å |
| 277 | T | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -60.8 | -43.2 | 174.3 | -55.9 | 0 | 0 | 0 | 0 | 111.1 | L266 D273 S274 S275 I280 V281 L425 S427 P450 | L266-T277 HydrophobicContact CD1-CG2 3.74Å; L266-T277 HydrophobicContact CD2-CG2 4.06Å; L266-T277 HydrophobicContact CG-CG2 4.49Å; D273-T277 PolarHBondContact O-N 3.25Å; D273-T277 PolarHBondContact O-OG1 3.32Å; D273-T277 VanDerWaalsContact O-OG1 3.13Å; S274-T277 WeakPolarHBondContact O-CB 3.3Å; S274-T277 PolarHBondContact O-N 3.35Å; S275-T277 VanDerWaalsContact C-N 3.33Å; S275-T277 PolarHBondContact O-N 3.04Å; T277-I280 PolarHBondContact O-N 3.44Å; T277-V281 PolarHBondContact O-N 3.03Å; T277-V281 VanDerWaalsContact O-N 3.17Å; T277-L425 HydrophobicContact CG2-CB 4.03Å; T277-L425 HydrophobicContact CG2-CD1 3.95Å; T277-S427 PolarHBondContact OG1-OG 3.37Å; T277-P450 HydrophobicContact CG2-CG 3.69Å |
| 278 | A | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -63.3 | -41.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L266 L268 S274 S275 S276 I280 V281 H282 F325 L346 I350 | L266-A278 HydrophobicContact CD2-CB 3.95Å; L268-A278 HydrophobicContact CD1-CB 4.28Å; S274-A278 PolarHBondContact O-N 3.31Å; S275-A278 WeakPolarHBondContact O-CB 3.19Å; S275-A278 PolarHBondContact O-N 2.91Å; S276-A278 VanDerWaalsContact C-N 3.32Å; S276-A278 PolarHBondContact O-N 2.96Å; A278-I280 VanDerWaalsContact C-N 3.33Å; A278-I280 PolarHBondContact O-N 2.67Å; A278-V281 PolarHBondContact O-N 3.12Å; A278-H282 PolarHBondContact O-N 3.39Å; A278-F325 HydrophobicContact CB-CE1 4.04Å; A278-F325 HydrophobicContact CB-CZ 4.29Å; A278-L346 HydrophobicContact CB-CD2 4.31Å; A278-I350 HydrophobicContact CB-CD1 3.88Å |
| 279 | C | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 11.5 Ų | 11.5 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -63.8 | -35.7 | 175.4 | -69.2 | 0 | 0 | 0 | 0 | 112.7 | S275 S276 H282 S283 F462 L463 C466 | S275-C279 PolarHBondContact O-N 2.82Å; S275-C279 PolarHBondContact O-SG 2.98Å; S276-C279 PolarHBondContact O-N 3.34Å; C279-H282 PolarHBondContact O-N 2.84Å; C279-S283 WeakPolarHBondContact O-CB 3.39Å; C279-S283 PolarHBondContact O-N 2.96Å; C279-F462 HydrophobicContact CB-CE1 3.82Å; C279-F462 HydrophobicContact CB-CZ 3.84Å; C279-L463 HydrophobicContact CB-CD2 4.36Å; C279-C466 HydrophobicContact CB-CB 4.33Å |
| 280 | I | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -65.4 | -43 | 174.5 | -69.1 | 165.1 | 0 | 0 | 0 | 110.7 | P248 A249 L252 S276 T277 A278 H282 S283 M284 P450 I451 F462 | P248-I280 HydrophobicContact CB-CD1 3.88Å; P248-I280 HydrophobicContact CB-CG1 4.33Å; P248-I280 HydrophobicContact CB-CG2 3.73Å; P248-I280 HydrophobicContact CG-CD1 4.38Å; A249-I280 HydrophobicContact CB-CG2 4.18Å; L252-I280 HydrophobicContact CD1-CG2 3.74Å; L252-I280 HydrophobicContact CG-CG2 4.5Å; S276-I280 WeakPolarHBondContact O-CG1 3.44Å; S276-I280 PolarHBondContact O-N 2.98Å; T277-I280 PolarHBondContact O-N 3.44Å; A278-I280 VanDerWaalsContact C-N 3.33Å; A278-I280 PolarHBondContact O-N 2.67Å; I280-H282 VanDerWaalsContact C-N 3.31Å; I280-H282 PolarHBondContact O-N 2.99Å; I280-S283 WeakPolarHBondContact O-CB 3.5Å; I280-S283 PolarHBondContact O-N 3.47Å; I280-M284 PolarHBondContact O-N 2.62Å; I280-P450 HydrophobicContact CD1-CB 4.3Å; I280-P450 HydrophobicContact CG2-CB 4.4Å; I280-I451 HydrophobicContact CD1-CG2 3.36Å; I280-F462 HydrophobicContact CD1-CE1 4.49Å; I280-F462 HydrophobicContact CG1-CE1 3.95Å; I280-F462 HydrophobicContact CG1-CZ 3.85Å |
| 281 | V | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -64.7 | -37.8 | 175.4 | 178.8 | 0 | 0 | 0 | 0 | 111.1 | L252 F264 T277 A278 M284 C285 F325 L425 | L252-V281 HydrophobicContact CD1-CG2 3.83Å; F264-V281 HydrophobicContact CD2-CG1 4.36Å; T277-V281 PolarHBondContact O-N 3.03Å; T277-V281 VanDerWaalsContact O-N 3.17Å; A278-V281 PolarHBondContact O-N 3.12Å; V281-M284 HydrophobicContact CG1-CE 4.3Å; V281-M284 WeakPolarHBondContact O-CB 3.4Å; V281-M284 PolarHBondContact O-N 3.48Å; V281-C285 PolarHBondContact O-N 3.27Å; V281-C285 VanDerWaalsContact O-N 3.08Å; V281-C285 PolarHBondContact O-SG 3.06Å; V281-F325 HydrophobicContact CB-CD1 4.09Å; V281-F325 HydrophobicContact CB-CE1 3.99Å; V281-F325 HydrophobicContact CB-CG 4.42Å; V281-F325 HydrophobicContact CB-CZ 4.2Å; V281-F325 HydrophobicContact CG1-CB 3.92Å; V281-F325 HydrophobicContact CG1-CD1 3.64Å; V281-F325 HydrophobicContact CG1-CD2 4.05Å; V281-F325 HydrophobicContact CG1-CE1 4.06Å; V281-F325 HydrophobicContact CG1-CE2 4.41Å; V281-F325 HydrophobicContact CG1-CG 3.63Å; V281-F325 HydrophobicContact CG1-CZ 4.41Å; V281-F325 HydrophobicContact CG2-CE1 4.36Å; V281-F325 HydrophobicContact CG2-CE2 4.15Å; V281-F325 HydrophobicContact CG2-CZ 4.06Å; V281-L425 HydrophobicContact CG2-CD1 3.64Å |
| 282 | H | 98.8 | Very high | 98.5 | Very high | 11 Ų | 11 | 12.6 Ų | 12.6 | 5% | 0.051 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -64.5 | -46 | 174.1 | -174.2 | 69.4 | 0 | 0 | 0 | 111.8 | A278 C279 I280 M284 C285 V286 I350 F470 | A278-H282 PolarHBondContact O-N 3.39Å; C279-H282 PolarHBondContact O-N 2.84Å; I280-H282 VanDerWaalsContact C-N 3.31Å; I280-H282 PolarHBondContact O-N 2.99Å; H282-M284 VanDerWaalsContact C-N 3.29Å; H282-M284 PolarHBondContact O-N 2.91Å; H282-C285 WeakPolarHBondContact O-CA 3.44Å; H282-C285 WeakPolarHBondContact O-CB 3.38Å; H282-C285 PolarHBondContact O-N 2.93Å; H282-V286 WeakPolarHBondContact O-CG2 3.38Å; H282-V286 PolarHBondContact O-N 3.12Å; H282-I350 HydrophobicContact CB-CB 4.18Å; H282-I350 HydrophobicContact CB-CG2 4.03Å; H282-I350 PolarHBondContact ND1-O 3.36Å; H282-F470 AromaticContact CD2-CG 3.98Å |
| 283 | S | 98.8 | Very high | 98.5 | Very high | 3 Ų | 3 | 18.5 Ų | 18.5 | 2% | 0.021 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -56.2 | -43.5 | 174 | -173.4 | 0 | 0 | 0 | 0 | 111.5 | S245 C279 I280 C285 V286 L287 | S245-S283 WeakPolarHBondContact O-CB 3.5Å; S245-S283 PolarHBondContact O-OG 3.1Å; C279-S283 WeakPolarHBondContact O-CB 3.39Å; C279-S283 PolarHBondContact O-N 2.96Å; I280-S283 WeakPolarHBondContact O-CB 3.5Å; I280-S283 PolarHBondContact O-N 3.47Å; S283-C285 VanDerWaalsContact C-N 3.31Å; S283-C285 PolarHBondContact O-N 3.43Å; S283-V286 WeakPolarHBondContact O-CB 3.46Å; S283-V286 PolarHBondContact O-N 3.25Å; S283-V286 VanDerWaalsContact O-N 3.13Å; S283-L287 WeakPolarHBondContact O-CG 3.32Å; S283-L287 PolarHBondContact O-N 3.48Å |
| 284 | M | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -56.7 | -44 | 173 | -175.7 | -163.5 | 71.8 | 0 | 0 | 111.7 | A249 L252 W253 F264 I280 V281 H282 V286 L287 L288 L324 | A249-M284 HydrophobicContact CB-CB 3.97Å; A249-M284 WeakPolarHBondContact O-CG 3.33Å; L252-M284 HydrophobicContact CB-SD 3.97Å; W253-M284 HydrophobicContact CB-CG 3.94Å; W253-M284 HydrophobicContact CB-SD 3.99Å; W253-M284 HydrophobicContact CE3-SD 4.46Å; F264-M284 HydrophobicContact CD2-CE 4.47Å; F264-M284 HydrophobicContact CE2-CE 3.89Å; F264-M284 HydrophobicContact CE2-SD 4Å; I280-M284 PolarHBondContact O-N 2.62Å; V281-M284 HydrophobicContact CG1-CE 4.3Å; V281-M284 WeakPolarHBondContact O-CB 3.4Å; V281-M284 PolarHBondContact O-N 3.48Å; H282-M284 VanDerWaalsContact C-N 3.29Å; H282-M284 PolarHBondContact O-N 2.91Å; M284-V286 VanDerWaalsContact C-N 3.35Å; M284-V286 PolarHBondContact O-N 3.39Å; M284-L287 PolarHBondContact O-N 2.83Å; M284-L288 HydrophobicContact CE-CD1 4.2Å; M284-L288 HydrophobicContact CG-CD1 4.14Å; M284-L288 VanDerWaalsContact O-CG 3.22Å; M284-L288 WeakPolarHBondContact O-CG 3.25Å; M284-L288 PolarHBondContact O-N 3.32Å; M284-L324 HydrophobicContact CE-CD1 4.2Å |
| 285 | C | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -64.7 | -38.1 | 176.9 | -62.2 | 0 | 0 | 0 | 0 | 112.4 | V281 H282 S283 L288 C289 P317 L320 | V281-C285 PolarHBondContact O-N 3.27Å; V281-C285 VanDerWaalsContact O-N 3.08Å; V281-C285 PolarHBondContact O-SG 3.06Å; H282-C285 WeakPolarHBondContact O-CA 3.44Å; H282-C285 WeakPolarHBondContact O-CB 3.38Å; H282-C285 PolarHBondContact O-N 2.93Å; S283-C285 VanDerWaalsContact C-N 3.31Å; S283-C285 PolarHBondContact O-N 3.43Å; C285-L288 PolarHBondContact O-N 3.34Å; C285-C289 PolarHBondContact O-N 3.46Å; C285-P317 HydrophobicContact CB-CB 4.23Å; C285-L320 HydrophobicContact CB-CD2 4.05Å; C285-L320 HydrophobicContact CB-CG 4.3Å |
| 286 | V | 98.7 | Very high | 98.4 | Very high | 46 Ų | 46 | 29.1 Ų | 29.1 | 28% | 0.279 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -61.2 | -48.3 | 174.3 | 175.1 | 0 | 0 | 0 | 0 | 110.5 | H282 S283 M284 L288 C289 Q290 P317 F470 | H282-V286 WeakPolarHBondContact O-CG2 3.38Å; H282-V286 PolarHBondContact O-N 3.12Å; S283-V286 WeakPolarHBondContact O-CB 3.46Å; S283-V286 PolarHBondContact O-N 3.25Å; S283-V286 VanDerWaalsContact O-N 3.13Å; M284-V286 VanDerWaalsContact C-N 3.35Å; M284-V286 PolarHBondContact O-N 3.39Å; V286-L288 VanDerWaalsContact C-N 3.29Å; V286-L288 PolarHBondContact O-N 2.69Å; V286-C289 PolarHBondContact O-N 2.72Å; V286-Q290 PolarHBondContact O-N 2.94Å; V286-P317 HydrophobicContact CB-CG 4.39Å; V286-P317 HydrophobicContact CG2-CB 3.8Å; V286-P317 HydrophobicContact CG2-CG 3.86Å; V286-F470 HydrophobicContact CG2-CD1 4.35Å; V286-F470 HydrophobicContact CG2-CE1 4.17Å |
| 287 | L | 98.7 | Very high | 98.3 | Very high | 41 Ų | 41 | 33.7 Ų | 33.7 | 22% | 0.215 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.3 | -37.5 | 177.8 | -67.1 | 173.1 | 0 | 0 | 0 | 112.4 | L176 L246 A249 S283 M284 Q290 A291 | L176-L287 HydrophobicContact CD1-CB 3.95Å; L176-L287 HydrophobicContact CG-CB 4.39Å; L246-L287 HydrophobicContact CD2-CD1 4.02Å; L246-L287 HydrophobicContact CD2-CD2 3.77Å; L246-L287 HydrophobicContact CD2-CG 4.4Å; A249-L287 HydrophobicContact CB-CD1 4.04Å; S283-L287 WeakPolarHBondContact O-CG 3.32Å; S283-L287 PolarHBondContact O-N 3.48Å; M284-L287 PolarHBondContact O-N 2.83Å; L287-Q290 PolarHBondContact O-N 3.01Å; L287-A291 WeakPolarHBondContact O-CB 3.45Å; L287-A291 PolarHBondContact O-N 2.72Å |
| 288 | L | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -67 | -43.8 | 177.2 | -71.7 | 167.5 | 0 | 0 | 0 | 112.2 | L176 W253 M284 C285 V286 A291 V292 V299 V303 L320 L324 | L176-L288 HydrophobicContact CD1-CD2 3.62Å; L176-L288 HydrophobicContact CD1-CG 4.05Å; W253-L288 HydrophobicContact CD2-CD1 4.26Å; W253-L288 HydrophobicContact CD2-CD2 3.52Å; W253-L288 HydrophobicContact CD2-CG 4.38Å; W253-L288 VanDerWaalsContact CE2-CD2 3.41Å; W253-L288 HydrophobicContact CE3-CD1 3.71Å; W253-L288 HydrophobicContact CE3-CD2 3.76Å; W253-L288 HydrophobicContact CE3-CG 4.32Å; W253-L288 HydrophobicContact CG-CD2 4.12Å; W253-L288 HydrophobicContact CH2-CD1 4.46Å; W253-L288 HydrophobicContact CH2-CD2 3.82Å; W253-L288 HydrophobicContact CZ2-CD2 3.56Å; W253-L288 HydrophobicContact CZ3-CD1 3.84Å; W253-L288 HydrophobicContact CZ3-CD2 3.91Å; M284-L288 HydrophobicContact CE-CD1 4.2Å; M284-L288 HydrophobicContact CG-CD1 4.14Å; M284-L288 VanDerWaalsContact O-CG 3.22Å; M284-L288 WeakPolarHBondContact O-CG 3.25Å; M284-L288 PolarHBondContact O-N 3.32Å; C285-L288 PolarHBondContact O-N 3.34Å; V286-L288 VanDerWaalsContact C-N 3.29Å; V286-L288 PolarHBondContact O-N 2.69Å; L288-A291 PolarHBondContact O-N 3.38Å; L288-V292 WeakPolarHBondContact O-CG2 3.47Å; L288-V292 PolarHBondContact O-N 3.42Å; L288-V292 VanDerWaalsContact O-N 3.1Å; L288-V299 HydrophobicContact CD2-CG1 3.56Å; L288-V303 HydrophobicContact CB-CG2 4.46Å; L288-V303 HydrophobicContact CD1-CG2 4.43Å; L288-V303 HydrophobicContact CD2-CG2 3.91Å; L288-L320 HydrophobicContact CB-CD2 3.65Å; L288-L320 HydrophobicContact CD1-CD2 3.92Å; L288-L320 HydrophobicContact CG-CD2 4.44Å; L288-L324 HydrophobicContact CD1-CD1 4.28Å |
| 289 | C | 98.6 | Very high | 98.2 | Very high | 10 Ų | 10 | 37.3 Ų | 37.3 | 7% | 0.068 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.6 | -47.6 | 174 | -74.4 | 0 | 0 | 0 | 0 | 111 | C285 V286 A291 V292 E293 P317 | C285-C289 PolarHBondContact O-N 3.46Å; V286-C289 PolarHBondContact O-N 2.72Å; C289-A291 PolarHBondContact O-N 2.74Å; C289-V292 PolarHBondContact O-N 3.36Å; C289-E293 PolarHBondContact O-N 3.42Å; C289-P317 HydrophobicContact CB-CG 4.21Å |
| 290 | Q | 98.3 | Very high | 98.2 | Very high | 88 Ų | 88 | 39 Ų | 39 | 41% | 0.411 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -60 | -46.8 | 178.5 | -173.6 | 62.2 | 56.3 | 0 | 0 | 111.7 | V286 L287 V292 E293 D294 | V286-Q290 PolarHBondContact O-N 2.94Å; L287-Q290 PolarHBondContact O-N 3.01Å; Q290-V292 VanDerWaalsContact C-N 3.27Å; Q290-V292 PolarHBondContact O-N 2.87Å; Q290-E293 WeakPolarHBondContact O-CB 3.25Å; Q290-E293 PolarHBondContact O-N 3.19Å; Q290-E293 VanDerWaalsContact O-N 3.13Å; Q290-D294 PolarHBondContact NE2-OD1 2.92Å; Q290-D294 PolarHBondContact NE2-OD2 2.81Å; Q290-D294 WeakPolarHBondContact O-CB 3.41Å; Q290-D294 PolarHBondContact O-N 2.98Å |
| 291 | A | 98.2 | Very high | 98.1 | Very high | 9 Ų | 9 | 45.8 Ų | 45.8 | 7% | 0.074 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.3 | -34.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L176 L287 L288 C289 D294 S295 N296 V299 | L176-A291 HydrophobicContact CD1-CB 4.07Å; L287-A291 WeakPolarHBondContact O-CB 3.45Å; L287-A291 PolarHBondContact O-N 2.72Å; L288-A291 PolarHBondContact O-N 3.38Å; C289-A291 PolarHBondContact O-N 2.74Å; A291-D294 CarbonylContact O-C 3.57Å; A291-S295 PolarHBondContact O-N 3.39Å; A291-N296 HydrophobicContact CB-CB 4.23Å; A291-N296 WeakPolarHBondContact O-CB 3.31Å; A291-N296 PolarHBondContact O-N 3.49Å; A291-V299 HydrophobicContact CB-CB 4.32Å; A291-V299 HydrophobicContact CB-CG1 4.07Å; A291-V299 HydrophobicContact CB-CG2 4.19Å |
| 292 | V | 97.8 | Very high | 98.1 | Very high | 18 Ų | 18 | 46.5 Ų | 46.5 | 11% | 0.109 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -71 | -39 | 174.7 | 170.8 | 0 | 0 | 0 | 0 | 111.5 | L288 C289 Q290 D294 S295 V299 L300 T313 P314 | L288-V292 WeakPolarHBondContact O-CG2 3.47Å; L288-V292 PolarHBondContact O-N 3.42Å; L288-V292 VanDerWaalsContact O-N 3.1Å; C289-V292 PolarHBondContact O-N 3.36Å; Q290-V292 VanDerWaalsContact C-N 3.27Å; Q290-V292 PolarHBondContact O-N 2.87Å; V292-D294 VanDerWaalsContact C-N 3.31Å; V292-S295 WeakPolarHBondContact O-CA 3.4Å; V292-S295 PolarHBondContact O-N 2.9Å; V292-V299 HydrophobicContact CG2-CG1 4.13Å; V292-L300 HydrophobicContact CG1-CD1 4Å; V292-L300 HydrophobicContact CG2-CB 4.06Å; V292-L300 HydrophobicContact CG2-CD1 4.17Å; V292-T313 HydrophobicContact CG1-CG2 3.78Å; V292-P314 HydrophobicContact CB-CG 4.2Å; V292-P314 HydrophobicContact CG1-CG 4.31Å; V292-P314 HydrophobicContact CG2-CG 3.78Å |
| 293 | E | 97.6 | Very high | 98 | Very high | 146 Ų | 146 | 46 Ų | 46 | 68% | 0.682 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -61.4 | -40.7 | 172.7 | -173.4 | 171.6 | -170 | 0 | 0 | 111.4 | C289 Q290 S295 | C289-E293 PolarHBondContact O-N 3.42Å; Q290-E293 WeakPolarHBondContact O-CB 3.25Å; Q290-E293 PolarHBondContact O-N 3.19Å; Q290-E293 VanDerWaalsContact O-N 3.13Å; E293-S295 PolarHBondContact O-N 2.97Å |
| 294 | D | 96.9 | Very high | 98 | Very high | 109 Ų | 109 | 49.2 Ų | 49.2 | 58% | 0.583 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | 11.8 | 173.6 | -60.4 | -22.2 | 0 | 0 | 0 | 113 | Q290 A291 V292 N296 | Q290-D294 PolarHBondContact NE2-OD1 2.92Å; Q290-D294 PolarHBondContact NE2-OD2 2.81Å; Q290-D294 WeakPolarHBondContact O-CB 3.41Å; Q290-D294 PolarHBondContact O-N 2.98Å; A291-D294 CarbonylContact O-C 3.57Å; V292-D294 VanDerWaalsContact C-N 3.31Å; D294-N296 VanDerWaalsContact C-N 3.34Å; D294-N296 PolarHBondContact O-N 2.99Å |
| 295 | S | 96.9 | Very high | 97.8 | Very high | 103 Ų | 103 | 54.5 Ų | 54.5 | 72% | 0.72 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.9 | 28.4 | 175.5 | -57.4 | 0 | 0 | 0 | 0 | 115.2 | A291 V292 E293 S297 | A291-S295 PolarHBondContact O-N 3.39Å; V292-S295 WeakPolarHBondContact O-CA 3.4Å; V292-S295 PolarHBondContact O-N 2.9Å; E293-S295 PolarHBondContact O-N 2.97Å; S295-S297 PolarHBondContact O-N 3.16Å |
| 296 | N | 97.4 | Very high | 97.7 | Very high | 27 Ų | 27 | 54.8 Ų | 54.8 | 14% | 0.144 | 28% | 0.282 | C | S | . | . | trans | -72 | 95.7 | 172.4 | -170.7 | -39.1 | 0 | 0 | 0 | 111.1 | D177 A291 D294 Q298 V299 L300 | D177-N296 PolarHBondContact OD1-ND2 3.35Å; A291-N296 HydrophobicContact CB-CB 4.23Å; A291-N296 WeakPolarHBondContact O-CB 3.31Å; A291-N296 PolarHBondContact O-N 3.49Å; D294-N296 VanDerWaalsContact C-N 3.34Å; D294-N296 PolarHBondContact O-N 2.99Å; N296-Q298 VanDerWaalsContact C-N 3.32Å; N296-Q298 PolarHBondContact O-N 3.04Å; N296-Q298 PolarHBondContact OD1-N 3.24Å; N296-V299 HydrophobicContact CB-CB 4.19Å; N296-V299 HydrophobicContact CB-CG2 4.23Å; N296-V299 PolarHBondContact O-N 3.49Å; N296-V299 PolarHBondContact OD1-N 3.21Å; N296-L300 PolarHBondContact O-N 3.46Å; N296-L300 VanDerWaalsContact O-N 3.11Å | ||
| 297 | S | 97.1 | Very high | 97.5 | Very high | 96 Ų | 96 | 52.9 Ų | 52.9 | 67% | 0.671 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -63.3 | -31.2 | -177.6 | 62.8 | 0 | 0 | 0 | 0 | 114.5 | S295 K301 | S295-S297 PolarHBondContact O-N 3.16Å; S297-K301 WeakPolarHBondContact O-CB 3.23Å; S297-K301 PolarHBondContact O-N 3.35Å |
| 298 | Q | 97.3 | Very high | 97.2 | Very high | 75 Ų | 75 | 53.9 Ų | 53.9 | 35% | 0.35 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -70.3 | -45.2 | 178.6 | 179.9 | 56.6 | 48.2 | 0 | 0 | 110.6 | N296 L300 K301 D302 | N296-Q298 VanDerWaalsContact C-N 3.32Å; N296-Q298 PolarHBondContact O-N 3.04Å; N296-Q298 PolarHBondContact OD1-N 3.24Å; Q298-L300 PolarHBondContact O-N 2.88Å; Q298-K301 PolarHBondContact O-N 3.28Å; Q298-D302 PolarHBondContact NE2-OD2 3.41Å; Q298-D302 PolarHBondContact O-N 3.49Å |
| 299 | V | 98.1 | Very high | 97 | Very high | 2 Ų | 2 | 56.6 Ų | 56.6 | 1% | 0.012 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60.2 | -45.9 | 174.9 | 172 | 0 | 0 | 0 | 0 | 110.8 | L176 W253 L288 A291 V292 N296 K301 D302 V303 | L176-V299 HydrophobicContact CB-CG2 3.84Å; W253-V299 HydrophobicContact CZ2-CG1 4.44Å; L288-V299 HydrophobicContact CD2-CG1 3.56Å; A291-V299 HydrophobicContact CB-CB 4.32Å; A291-V299 HydrophobicContact CB-CG1 4.07Å; A291-V299 HydrophobicContact CB-CG2 4.19Å; V292-V299 HydrophobicContact CG2-CG1 4.13Å; N296-V299 HydrophobicContact CB-CB 4.19Å; N296-V299 HydrophobicContact CB-CG2 4.23Å; N296-V299 PolarHBondContact O-N 3.49Å; N296-V299 PolarHBondContact OD1-N 3.21Å; V299-K301 VanDerWaalsContact C-N 3.34Å; V299-K301 PolarHBondContact O-N 2.97Å; V299-D302 PolarHBondContact O-N 3.17Å; V299-V303 HydrophobicContact CG1-CG2 4.25Å; V299-V303 WeakPolarHBondContact O-CG2 3.46Å; V299-V303 PolarHBondContact O-N 2.88Å |
| 300 | L | 98.3 | Very high | 96.8 | Very high | 34 Ų | 34 | 62.5 Ų | 62.5 | 18% | 0.178 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -58.3 | -45.2 | 177.5 | -180 | 57.4 | 0 | 0 | 0 | 112.2 | V292 N296 Q298 D302 V303 R304 T313 | V292-L300 HydrophobicContact CG1-CD1 4Å; V292-L300 HydrophobicContact CG2-CB 4.06Å; V292-L300 HydrophobicContact CG2-CD1 4.17Å; N296-L300 PolarHBondContact O-N 3.46Å; N296-L300 VanDerWaalsContact O-N 3.11Å; Q298-L300 PolarHBondContact O-N 2.88Å; L300-D302 VanDerWaalsContact C-N 3.35Å; L300-D302 PolarHBondContact O-N 3.3Å; L300-V303 PolarHBondContact O-N 3.13Å; L300-R304 HydrophobicContact CD1-CG 4.41Å; L300-R304 WeakPolarHBondContact O-CG 3.22Å; L300-R304 PolarHBondContact O-N 3Å; L300-T313 HydrophobicContact CD1-CG2 4.13Å |
| 301 | K | 97.9 | Very high | 96.7 | Very high | 144 Ų | 144 | 62.4 Ų | 62.4 | 63% | 0.626 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -61 | -43.8 | 176.9 | -177.9 | -177.7 | 177.7 | -176.9 | 0 | 111.7 | S297 Q298 V299 R305 | S297-K301 WeakPolarHBondContact O-CB 3.23Å; S297-K301 PolarHBondContact O-N 3.35Å; Q298-K301 PolarHBondContact O-N 3.28Å; V299-K301 VanDerWaalsContact C-N 3.34Å; V299-K301 PolarHBondContact O-N 2.97Å; K301-R305 PolarHBondContact O-N 2.95Å; K301-R305 VanDerWaalsContact O-N 3.12Å |
| 302 | D | 98 | Very high | 96.7 | Very high | 14 Ų | 14 | 62.6 Ų | 62.6 | 8% | 0.075 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -67.6 | -41.3 | 178.5 | -83.6 | -36.4 | 0 | 0 | 0 | 112.2 | W253 R257 Q298 V299 L300 R305 V306 | W253-D302 HydrophobicContact CH2-CB 3.86Å; W253-D302 HydrophobicContact CZ2-CB 3.54Å; R257-D302 HydrophobicContact CB-CB 4.39Å; R257-D302 IonicContact NH1-OD2 3.56Å; Q298-D302 PolarHBondContact NE2-OD2 3.41Å; Q298-D302 PolarHBondContact O-N 3.49Å; V299-D302 PolarHBondContact O-N 3.17Å; L300-D302 VanDerWaalsContact C-N 3.35Å; L300-D302 PolarHBondContact O-N 3.3Å; D302-R305 PolarHBondContact O-N 2.83Å; D302-R305 IonicContact OD1-CZ 3.38Å; D302-R305 IonicContact OD1-NE 3.96Å; D302-R305 PolarHBondContact OD1-NE 2.83Å; D302-R305 IonicContact OD1-NH2 3.88Å; D302-R305 PolarHBondContact OD1-NH2 2.99Å; D302-V306 VanDerWaalsContact O-CG2 3.29Å; D302-V306 WeakPolarHBondContact O-CG2 3.24Å; D302-V306 PolarHBondContact O-N 3.5Å |
| 303 | V | 97.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -59 | -51.7 | 175.3 | 169.7 | 0 | 0 | 0 | 0 | 110.3 | W253 L288 V299 L300 R305 V306 V307 Y312 P314 L320 | W253-V303 HydrophobicContact CH2-CB 4.47Å; W253-V303 HydrophobicContact CH2-CG2 3.66Å; W253-V303 HydrophobicContact CZ2-CG2 4.2Å; W253-V303 HydrophobicContact CZ3-CG2 4.34Å; L288-V303 HydrophobicContact CB-CG2 4.46Å; L288-V303 HydrophobicContact CD1-CG2 4.43Å; L288-V303 HydrophobicContact CD2-CG2 3.91Å; V299-V303 HydrophobicContact CG1-CG2 4.25Å; V299-V303 WeakPolarHBondContact O-CG2 3.46Å; V299-V303 PolarHBondContact O-N 2.88Å; L300-V303 PolarHBondContact O-N 3.13Å; V303-R305 VanDerWaalsContact C-N 3.28Å; V303-R305 PolarHBondContact O-N 3.12Å; V303-V306 PolarHBondContact O-N 2.8Å; V303-V306 VanDerWaalsContact O-N 3.12Å; V303-V307 HydrophobicContact CG1-CG1 4.32Å; V303-V307 WeakPolarHBondContact O-CG2 3.48Å; V303-V307 PolarHBondContact O-N 3.47Å; V303-Y312 HydrophobicContact CG1-CD1 4.1Å; V303-Y312 HydrophobicContact CG1-CE1 4.16Å; V303-P314 HydrophobicContact CG1-CG 4.03Å; V303-L320 HydrophobicContact CG1-CD1 3.89Å |
| 304 | R | 97.2 | Very high | 96.6 | Very high | 71 Ų | 71 | 57.6 Ų | 57.6 | 27% | 0.268 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -53.6 | -45 | 178.3 | -76 | 172 | 175.1 | 175.4 | 1.3 | 112.4 | L300 V307 G308 D309 D310 Y312 T313 | L300-R304 HydrophobicContact CD1-CG 4.41Å; L300-R304 WeakPolarHBondContact O-CG 3.22Å; L300-R304 PolarHBondContact O-N 3Å; R304-V307 WeakPolarHBondContact O-CG2 3.48Å; R304-G308 WeakPolarHBondContact O-CA 3.32Å; R304-G308 PolarHBondContact O-N 3.36Å; R304-D309 WeakPolarHBondContact CB-O 3.37Å; R304-D309 WeakPolarHBondContact CG-O 2.83Å; R304-D309 PolarHBondContact O-N 3.17Å; R304-D310 VanDerWaalsContact CD-O 3.23Å; R304-D310 WeakPolarHBondContact CD-O 3.43Å; R304-D310 PolarHBondContact NE-O 3.24Å; R304-Y312 VanDerWaalsContact CG-O 3.22Å; R304-Y312 WeakPolarHBondContact CG-O 3.16Å; R304-Y312 PolarHBondContact NE-O 2.85Å; R304-T313 PolarHBondContact NH2-OG1 3.37Å |
| 305 | R | 95.8 | Very high | 96.5 | Very high | 111 Ų | 111 | 60.5 Ų | 60.5 | 42% | 0.419 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -62.4 | -48.9 | 176 | 177 | -176.5 | 57.2 | 88.7 | -1 | 112.3 | R257 K301 D302 V303 G308 | R257-R305 VanDerWaalsContact O-CZ 3.26Å; R257-R305 PolarHBondContact O-NH1 3.34Å; R257-R305 PolarHBondContact O-NH2 3.18Å; K301-R305 PolarHBondContact O-N 2.95Å; K301-R305 VanDerWaalsContact O-N 3.12Å; D302-R305 PolarHBondContact O-N 2.83Å; D302-R305 IonicContact OD1-CZ 3.38Å; D302-R305 IonicContact OD1-NE 3.96Å; D302-R305 PolarHBondContact OD1-NE 2.83Å; D302-R305 IonicContact OD1-NH2 3.88Å; D302-R305 PolarHBondContact OD1-NH2 2.99Å; V303-R305 VanDerWaalsContact C-N 3.28Å; V303-R305 PolarHBondContact O-N 3.12Å; R305-G308 PolarHBondContact O-N 2.89Å |
| 306 | V | 95.9 | Very high | 96.5 | Very high | 7 Ų | 7 | 59.4 Ų | 59.4 | 4% | 0.042 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65.5 | -40.6 | -177.6 | 174.3 | 0 | 0 | 0 | 0 | 110.8 | W253 L256 D302 V303 G308 L324 | W253-V306 HydrophobicContact CZ3-CG2 4.49Å; L256-V306 HydrophobicContact CD1-CG1 4.1Å; L256-V306 HydrophobicContact CD2-CG1 3.81Å; L256-V306 HydrophobicContact CG-CG1 3.87Å; L256-V306 HydrophobicContact CG-CG2 4.41Å; D302-V306 VanDerWaalsContact O-CG2 3.29Å; D302-V306 WeakPolarHBondContact O-CG2 3.24Å; D302-V306 PolarHBondContact O-N 3.5Å; V303-V306 PolarHBondContact O-N 2.8Å; V303-V306 VanDerWaalsContact O-N 3.12Å; V306-G308 VanDerWaalsContact C-N 3.28Å; V306-G308 PolarHBondContact O-N 2.9Å; V306-L324 HydrophobicContact CB-CD2 4.35Å; V306-L324 HydrophobicContact CG1-CD2 3.43Å; V306-L324 VanDerWaalsContact CG1-CD2 3.43Å |
| 307 | V | 94.8 | Very high | 96.6 | Very high | 6 Ų | 6 | 59.6 Ų | 59.6 | 4% | 0.036 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -73.8 | -22.2 | 176.1 | -57.7 | 0 | 0 | 0 | 0 | 112.5 | V303 R304 D309 Y312 L320 R323 L324 R418 | V303-V307 HydrophobicContact CG1-CG1 4.32Å; V303-V307 WeakPolarHBondContact O-CG2 3.48Å; V303-V307 PolarHBondContact O-N 3.47Å; R304-V307 WeakPolarHBondContact O-CG2 3.48Å; V307-D309 HydrophobicContact CG2-CB 3.88Å; V307-Y312 HydrophobicContact CG1-CD1 4.29Å; V307-Y312 HydrophobicContact CG1-CE1 4.39Å; V307-Y312 HydrophobicContact CG2-CD1 3.71Å; V307-Y312 HydrophobicContact CG2-CG 4.25Å; V307-L320 HydrophobicContact CG1-CD1 4.36Å; V307-R323 HydrophobicContact CG1-CB 4.02Å; V307-L324 HydrophobicContact CG1-CD2 3.74Å; V307-L324 HydrophobicContact CG1-CG 4.38Å; V307-R418 PolarHBondContact O-NE 2.94Å; V307-R418 PolarHBondContact O-NH2 2.78Å |
| 308 | G | 92.6 | Very high | 96.6 | Very high | 61 Ų | 61 | 59.7 Ų | 59.7 | 63% | 0.629 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.4 | 34.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | R304 R305 V306 | R304-G308 WeakPolarHBondContact O-CA 3.32Å; R304-G308 PolarHBondContact O-N 3.36Å; R305-G308 PolarHBondContact O-N 2.89Å; V306-G308 VanDerWaalsContact C-N 3.28Å; V306-G308 PolarHBondContact O-N 2.9Å |
| 309 | D | 94.1 | Very high | 96.6 | Very high | 57 Ų | 57 | 59.6 Ų | 59.6 | 31% | 0.305 | 32% | 0.315 | S | S | . | . | trans | -143.6 | 103.1 | -177.1 | -179.4 | -6.9 | 0 | 0 | 0 | 109.4 | R304 V307 A311 Y312 R323 | R304-D309 WeakPolarHBondContact CB-O 3.37Å; R304-D309 WeakPolarHBondContact CG-O 2.83Å; R304-D309 PolarHBondContact O-N 3.17Å; V307-D309 HydrophobicContact CG2-CB 3.88Å; D309-A311 VanDerWaalsContact C-N 3.27Å; D309-A311 PolarHBondContact O-N 3.11Å; D309-A311 PolarHBondContact OD1-N 2.92Å; D309-A311 VanDerWaalsContact OD1-N 3.14Å; D309-Y312 WeakPolarHBondContact O-CB 3.31Å; D309-Y312 PolarHBondContact O-N 3.42Å; D309-Y312 PolarHBondContact OD1-N 3.15Å; D309-R323 IonicContact OD2-NH1 2.58Å; D309-R323 PolarHBondContact OD2-NH1 3.18Å | ||
| 310 | D | 94.8 | Very high | 96.6 | Very high | 135 Ų | 135 | 59.5 Ų | 59.5 | 72% | 0.722 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -20.4 | -175.5 | -71.4 | -30.4 | 0 | 0 | 0 | 113.7 | R304 | R304-D310 VanDerWaalsContact CD-O 3.23Å; R304-D310 WeakPolarHBondContact CD-O 3.43Å; R304-D310 PolarHBondContact NE-O 3.24Å |
| 311 | A | 96.4 | Very high | 96.6 | Very high | 85 Ų | 85 | 57.9 Ų | 57.9 | 70% | 0.702 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | -13.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | D309 | D309-A311 VanDerWaalsContact C-N 3.27Å; D309-A311 PolarHBondContact O-N 3.11Å; D309-A311 PolarHBondContact OD1-N 2.92Å; D309-A311 VanDerWaalsContact OD1-N 3.14Å |
| 312 | Y | 97.2 | Very high | 96.6 | Very high | 13 Ų | 13 | 52.7 Ų | 52.7 | 5% | 0.051 | 29% | 0.29 | C | S | . | . | trans | -68.3 | 137.4 | -174.1 | -174.3 | -122.4 | 0 | 0 | 0 | 112.7 | V303 R304 V307 D309 P314 E319 L320 R323 | V303-Y312 HydrophobicContact CG1-CD1 4.1Å; V303-Y312 HydrophobicContact CG1-CE1 4.16Å; R304-Y312 VanDerWaalsContact CG-O 3.22Å; R304-Y312 WeakPolarHBondContact CG-O 3.16Å; R304-Y312 PolarHBondContact NE-O 2.85Å; V307-Y312 HydrophobicContact CG1-CD1 4.29Å; V307-Y312 HydrophobicContact CG1-CE1 4.39Å; V307-Y312 HydrophobicContact CG2-CD1 3.71Å; V307-Y312 HydrophobicContact CG2-CG 4.25Å; D309-Y312 WeakPolarHBondContact O-CB 3.31Å; D309-Y312 PolarHBondContact O-N 3.42Å; D309-Y312 PolarHBondContact OD1-N 3.15Å; Y312-P314 HydrophobicContact CE1-CB 3.87Å; Y312-E319 WeakPolarHBondContact CE2-OE1 3.41Å; Y312-E319 VanDerWaalsContact CE2-OE2 3.3Å; Y312-E319 WeakPolarHBondContact CE2-OE2 3.19Å; Y312-E319 PolarHBondContact OH-OE1 3.41Å; Y312-E319 PolarHBondContact OH-OE2 2.88Å; Y312-L320 HydrophobicContact CE1-CD1 3.97Å; Y312-R323 VanDerWaalsContact CD2-CZ 3.46Å | ||
| 313 | T | 97.4 | Very high | 96.5 | Very high | 57 Ų | 57 | 55.5 Ų | 55.5 | 35% | 0.35 | 30% | 0.3 | S | S | . | . | trans | -134.8 | 111.6 | 172.3 | -55.8 | 0 | 0 | 0 | 0 | 107.5 | V292 L300 R304 Q315 | V292-T313 HydrophobicContact CG1-CG2 3.78Å; L300-T313 HydrophobicContact CD1-CG2 4.13Å; R304-T313 PolarHBondContact NH2-OG1 3.37Å; T313-Q315 PolarHBondContact O-N 3.03Å | ||
| 314 | P | 96.5 | Very high | 96.5 | Very high | 3 Ų | 3 | 55.6 Ų | 55.6 | 2% | 0.019 | 30% | 0.3 | C | S | . | . | trans | -70.3 | 120.2 | -174.6 | 30.5 | -37.5 | 0 | 0 | 0 | 111 | V292 V303 Y312 L320 | V292-P314 HydrophobicContact CB-CG 4.2Å; V292-P314 HydrophobicContact CG1-CG 4.31Å; V292-P314 HydrophobicContact CG2-CG 3.78Å; V303-P314 HydrophobicContact CG1-CG 4.03Å; Y312-P314 HydrophobicContact CE1-CB 3.87Å; P314-L320 HydrophobicContact CB-CB 4.32Å; P314-L320 HydrophobicContact CB-CD1 4.25Å; P314-L320 HydrophobicContact CB-CD2 3.99Å; P314-L320 HydrophobicContact CB-CG 4.43Å | ||
| 315 | Q | 95.3 | Very high | 96.5 | Very high | 169 Ų | 169 | 52.2 Ų | 52.2 | 79% | 0.79 | 29% | 0.288 | S | S | * | . | trans | -114.1 | -28 | 174.4 | -65.9 | 179.7 | -7.9 | 0 | 0 | 112.4 | T313 | T313-Q315 PolarHBondContact O-N 3.03Š| ||
| 316 | N | 97.4 | Very high | 96.7 | Very high | 80 Ų | 80 | 47 Ų | 47 | 43% | 0.428 | 27% | 0.269 | S | S | . | . | trans | -118.2 | 120.1 | -177.8 | -173.1 | -39.6 | 0 | 0 | 0 | 109.9 | K318 E319 L320 | N316-K318 PolarHBondContact O-N 3.13Å; N316-K318 WeakPolarHBondContact OD1-CB 3.25Å; N316-K318 PolarHBondContact OD1-N 3.42Å; N316-E319 HydrophobicContact CB-CB 4.06Å; N316-E319 PolarHBondContact O-N 2.98Å; N316-E319 VanDerWaalsContact O-N 3.1Å; N316-L320 PolarHBondContact O-N 2.94Å | ||
| 317 | P | 98.1 | Very high | 96.8 | Very high | 32 Ų | 32 | 46.7 Ų | 46.7 | 21% | 0.208 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -56.3 | -33.5 | 179.1 | -28.2 | 35.8 | 0 | 0 | 0 | 113.8 | C285 V286 C289 C321 | C285-P317 HydrophobicContact CB-CB 4.23Å; V286-P317 HydrophobicContact CB-CG 4.39Å; V286-P317 HydrophobicContact CG2-CB 3.8Å; V286-P317 HydrophobicContact CG2-CG 3.86Å; C289-P317 HydrophobicContact CB-CG 4.21Å; P317-C321 WeakPolarHBondContact O-CB 3.3Å; P317-C321 PolarHBondContact O-N 3.36Å |
| 318 | K | 97.8 | Very high | 97 | Very high | 97 Ų | 97 | 46.5 Ų | 46.5 | 42% | 0.422 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -69.2 | -40.1 | 178.3 | -58.8 | -169.6 | -173.4 | -155.2 | 0 | 112.2 | N316 C321 A322 E349 I350 | N316-K318 PolarHBondContact O-N 3.13Å; N316-K318 WeakPolarHBondContact OD1-CB 3.25Å; N316-K318 PolarHBondContact OD1-N 3.42Å; K318-C321 WeakPolarHBondContact O-CB 3.35Å; K318-C321 PolarHBondContact O-N 3.43Å; K318-A322 PolarHBondContact O-N 3.22Å; K318-E349 VanDerWaalsContact CD-O 3.25Å; K318-E349 WeakPolarHBondContact CD-O 3.4Å; K318-E349 WeakPolarHBondContact CE-O 3.37Å; K318-E349 PolarHBondContact NZ-O 3.05Å; K318-I350 WeakPolarHBondContact CA-O 3.45Å |
| 319 | E | 97.7 | Very high | 97.2 | Very high | 73 Ų | 73 | 44.2 Ų | 44.2 | 34% | 0.341 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -68.7 | -41.8 | 178.3 | -168.9 | -123 | 155 | 0 | 0 | 111 | Y312 N316 C321 A322 R323 | Y312-E319 WeakPolarHBondContact CE2-OE1 3.41Å; Y312-E319 VanDerWaalsContact CE2-OE2 3.3Å; Y312-E319 WeakPolarHBondContact CE2-OE2 3.19Å; Y312-E319 PolarHBondContact OH-OE1 3.41Å; Y312-E319 PolarHBondContact OH-OE2 2.88Å; N316-E319 HydrophobicContact CB-CB 4.06Å; N316-E319 PolarHBondContact O-N 2.98Å; N316-E319 VanDerWaalsContact O-N 3.1Å; E319-C321 VanDerWaalsContact C-N 3.35Å; E319-A322 WeakPolarHBondContact O-CB 3.05Å; E319-A322 PolarHBondContact O-N 3.41Å; E319-R323 PolarHBondContact O-N 3.45Å; E319-R323 IonicContact OE1-CZ 2.71Å; E319-R323 IonicContact OE1-NE 3.86Å; E319-R323 PolarHBondContact OE1-NE 3.24Å; E319-R323 IonicContact OE1-NH2 2.8Å; E319-R323 PolarHBondContact OE1-NH2 3.41Å |
| 320 | L | 98.2 | Very high | 97.4 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.3 | -44.9 | 172.4 | 177.8 | 60.7 | 0 | 0 | 0 | 111.3 | C285 L288 V303 V307 Y312 P314 N316 A322 R323 L324 | C285-L320 HydrophobicContact CB-CD2 4.05Å; C285-L320 HydrophobicContact CB-CG 4.3Å; L288-L320 HydrophobicContact CB-CD2 3.65Å; L288-L320 HydrophobicContact CD1-CD2 3.92Å; L288-L320 HydrophobicContact CG-CD2 4.44Å; V303-L320 HydrophobicContact CG1-CD1 3.89Å; V307-L320 HydrophobicContact CG1-CD1 4.36Å; Y312-L320 HydrophobicContact CE1-CD1 3.97Å; P314-L320 HydrophobicContact CB-CB 4.32Å; P314-L320 HydrophobicContact CB-CD1 4.25Å; P314-L320 HydrophobicContact CB-CD2 3.99Å; P314-L320 HydrophobicContact CB-CG 4.43Å; N316-L320 PolarHBondContact O-N 2.94Å; L320-A322 VanDerWaalsContact C-N 3.3Å; L320-A322 PolarHBondContact O-N 3.02Å; L320-R323 PolarHBondContact O-N 3.01Å; L320-R323 VanDerWaalsContact O-N 3.1Å; L320-L324 HydrophobicContact CD1-CD1 3.62Å; L320-L324 HydrophobicContact CD1-CG 3.91Å; L320-L324 HydrophobicContact CD2-CD1 4.48Å; L320-L324 HydrophobicContact CG-CD1 3.88Å; L320-L324 HydrophobicContact CG-CG 4.4Å; L320-L324 WeakPolarHBondContact O-CG 3.45Å; L320-L324 PolarHBondContact O-N 3.32Å |
| 321 | C | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -57.3 | -41.5 | 176 | -170.5 | 0 | 0 | 0 | 0 | 111.5 | P317 K318 E319 R323 L324 F325 I350 | P317-C321 WeakPolarHBondContact O-CB 3.3Å; P317-C321 PolarHBondContact O-N 3.36Å; K318-C321 WeakPolarHBondContact O-CB 3.35Å; K318-C321 PolarHBondContact O-N 3.43Å; E319-C321 VanDerWaalsContact C-N 3.35Å; C321-R323 PolarHBondContact O-N 3.2Å; C321-L324 PolarHBondContact O-N 2.97Å; C321-F325 WeakPolarHBondContact O-CA 3.37Å; C321-F325 VanDerWaalsContact O-CB 3.26Å; C321-F325 WeakPolarHBondContact O-CB 3.31Å; C321-F325 PolarHBondContact O-N 2.9Å; C321-I350 VanDerWaalsContact CB-O 3.27Å; C321-I350 WeakPolarHBondContact CB-O 3.48Å; C321-I350 PolarHBondContact SG-O 3.03Å |
| 322 | A | 97.1 | Very high | 96.9 | Very high | 35 Ų | 35 | 32.3 Ų | 32.3 | 29% | 0.289 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -58.5 | -36.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | K318 E319 L320 G351 T353 | K318-A322 PolarHBondContact O-N 3.22Å; E319-A322 WeakPolarHBondContact O-CB 3.05Å; E319-A322 PolarHBondContact O-N 3.41Å; L320-A322 VanDerWaalsContact C-N 3.3Å; L320-A322 PolarHBondContact O-N 3.02Å; A322-G351 WeakPolarHBondContact CA-O 3.48Å; A322-G351 WeakPolarHBondContact CB-O 3.08Å; A322-G351 PolarHBondContact N-O 3.49Å; A322-T353 PolarHBondContact O-OG1 2.82Å |
| 323 | R | 96.1 | Very high | 96.3 | Very high | 73 Ų | 73 | 37.2 Ų | 37.2 | 28% | 0.275 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -78.1 | -34 | -179.3 | -64.6 | -178.8 | -176.8 | -127.1 | 4.9 | 112.8 | V307 D309 Y312 E319 L320 C321 R418 | V307-R323 HydrophobicContact CG1-CB 4.02Å; D309-R323 IonicContact OD2-NH1 2.58Å; D309-R323 PolarHBondContact OD2-NH1 3.18Å; Y312-R323 VanDerWaalsContact CD2-CZ 3.46Å; E319-R323 PolarHBondContact O-N 3.45Å; E319-R323 IonicContact OE1-CZ 2.71Å; E319-R323 IonicContact OE1-NE 3.86Å; E319-R323 PolarHBondContact OE1-NE 3.24Å; E319-R323 IonicContact OE1-NH2 2.8Å; E319-R323 PolarHBondContact OE1-NH2 3.41Å; L320-R323 PolarHBondContact O-N 3.01Å; L320-R323 VanDerWaalsContact O-N 3.1Å; C321-R323 PolarHBondContact O-N 3.2Å; R323-R418 PolarHBondContact O-NH1 2.9Å |
| 324 | L | 97.4 | Very high | 95.6 | Very high | 2 Ų | 2 | 34.9 Ų | 34.9 | 1% | 0.01 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -97.7 | -24.1 | -173.7 | -64.7 | -174.7 | 0 | 0 | 0 | 114.1 | L256 G263 F264 M284 L288 V306 V307 L320 C321 | L256-L324 HydrophobicContact CD2-CD1 4.43Å; L256-L324 HydrophobicContact CD2-CD2 4.36Å; G263-L324 CarbonylContact C-O 3.2Å; G263-L324 WeakPolarHBondContact CA-O 3.31Å; F264-L324 PolarHBondContact N-O 3.49Å; M284-L324 HydrophobicContact CE-CD1 4.2Å; L288-L324 HydrophobicContact CD1-CD1 4.28Å; V306-L324 HydrophobicContact CB-CD2 4.35Å; V306-L324 HydrophobicContact CG1-CD2 3.43Å; V306-L324 VanDerWaalsContact CG1-CD2 3.43Å; V307-L324 HydrophobicContact CG1-CD2 3.74Å; V307-L324 HydrophobicContact CG1-CG 4.38Å; L320-L324 HydrophobicContact CD1-CD1 3.62Å; L320-L324 HydrophobicContact CD1-CG 3.91Å; L320-L324 HydrophobicContact CD2-CD1 4.48Å; L320-L324 HydrophobicContact CG-CD1 3.88Å; L320-L324 HydrophobicContact CG-CG 4.4Å; L320-L324 WeakPolarHBondContact O-CG 3.45Å; L320-L324 PolarHBondContact O-N 3.32Å; C321-L324 PolarHBondContact O-N 2.97Å |
| 325 | F | 98.6 | Very high | 95 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 121.6 | -164.4 | -169.4 | -150.5 | 0 | 0 | 0 | 112.7 | F264 L266 A278 V281 C321 T327 I350 T353 L425 | F264-F325 HydrophobicContact CB-CD2 3.8Å; F264-F325 HydrophobicContact CB-CE2 4.2Å; L266-F325 HydrophobicContact CB-CE2 3.44Å; L266-F325 VanDerWaalsContact CB-CE2 3.44Å; L266-F325 HydrophobicContact CB-CZ 3.6Å; L266-F325 HydrophobicContact CD2-CE2 4.35Å; L266-F325 HydrophobicContact CD2-CZ 3.64Å; L266-F325 HydrophobicContact CG-CZ 4.26Å; A278-F325 HydrophobicContact CB-CE1 4.04Å; A278-F325 HydrophobicContact CB-CZ 4.29Å; V281-F325 HydrophobicContact CB-CD1 4.09Å; V281-F325 HydrophobicContact CB-CE1 3.99Å; V281-F325 HydrophobicContact CB-CG 4.42Å; V281-F325 HydrophobicContact CB-CZ 4.2Å; V281-F325 HydrophobicContact CG1-CB 3.92Å; V281-F325 HydrophobicContact CG1-CD1 3.64Å; V281-F325 HydrophobicContact CG1-CD2 4.05Å; V281-F325 HydrophobicContact CG1-CE1 4.06Å; V281-F325 HydrophobicContact CG1-CE2 4.41Å; V281-F325 HydrophobicContact CG1-CG 3.63Å; V281-F325 HydrophobicContact CG1-CZ 4.41Å; V281-F325 HydrophobicContact CG2-CE1 4.36Å; V281-F325 HydrophobicContact CG2-CE2 4.15Å; V281-F325 HydrophobicContact CG2-CZ 4.06Å; C321-F325 WeakPolarHBondContact O-CA 3.37Å; C321-F325 VanDerWaalsContact O-CB 3.26Å; C321-F325 WeakPolarHBondContact O-CB 3.31Å; C321-F325 PolarHBondContact O-N 2.9Å; F325-T327 HydrophobicContact CD1-CG2 4Å; F325-T327 HydrophobicContact CE1-CG2 3.48Å; F325-T327 VanDerWaalsContact CE1-CG2 3.48Å; F325-T327 HydrophobicContact CE2-CG2 4.07Å; F325-T327 HydrophobicContact CG-CG2 4.5Å; F325-T327 HydrophobicContact CZ-CG2 3.54Å; F325-I350 HydrophobicContact CD1-CD1 4.12Å; F325-I350 HydrophobicContact CE1-CD1 3.82Å; F325-T353 PolarHBondContact O-N 3.24Å; F325-L425 HydrophobicContact CE2-CD1 4.23Å |
| 326 | T | 98.7 | Very high | 94.5 | Very high | 3 Ų | 3 | 29.3 Ų | 29.3 | 2% | 0.018 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 121 | 173.6 | -51.5 | 0 | 0 | 0 | 0 | 109 | F264 L265 L266 T353 V355 R416 | F264-T326 PolarHBondContact O-N 2.96Å; L265-T326 CarbonylContact C-O 3.49Å; L265-T326 VanDerWaalsContact CA-O 3.27Å; L265-T326 WeakPolarHBondContact CA-O 3.3Å; L266-T326 PolarHBondContact N-O 3.09Å; T326-T353 CarbonylContact C-O 3.56Å; T326-T353 VanDerWaalsContact CA-O 3.28Å; T326-T353 WeakPolarHBondContact CA-O 3.5Å; T326-T353 HydrophobicContact CG2-CG2 4.49Å; T326-V355 HydrophobicContact CG2-CG2 4.23Å; T326-R416 PolarHBondContact OG1-NH2 3.43Å; T326-R416 VanDerWaalsContact OG1-NH2 3.07Å |
| 327 | T | 98.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 143.2 | 174.3 | 55.4 | 0 | 0 | 0 | 0 | 109.6 | L266 L268 F325 S352 T353 H354 V355 | L266-T327 CarbonylContact O-C 3.52Å; L266-T327 WeakPolarHBondContact O-CA 3.1Å; L268-T327 HydrophobicContact CB-CG2 4.47Å; L268-T327 HydrophobicContact CD2-CG2 4.1Å; F325-T327 HydrophobicContact CD1-CG2 4Å; F325-T327 HydrophobicContact CE1-CG2 3.48Å; F325-T327 VanDerWaalsContact CE1-CG2 3.48Å; F325-T327 HydrophobicContact CE2-CG2 4.07Å; F325-T327 HydrophobicContact CG-CG2 4.5Å; F325-T327 HydrophobicContact CZ-CG2 3.54Å; T327-S352 WeakPolarHBondContact CG2-OG 3.5Å; T327-S352 PolarHBondContact OG1-OG 2.84Å; T327-T353 PolarHBondContact N-O 2.88Å; T327-H354 CarbonylContact O-C 3.53Å; T327-H354 WeakPolarHBondContact O-CA 3.11Å; T327-H354 PolarHBondContact OG1-ND1 2.9Å; T327-V355 PolarHBondContact O-N 3.48Å |
| 328 | C | 98.2 | Very high | 93.6 | Very high | 2 Ų | 2 | 35.1 Ų | 35.1 | 1% | 0.014 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 112.8 | -178.4 | -172.3 | 0 | 0 | 0 | 0 | 111.3 | L266 P267 L268 M330 V355 | L266-C328 PolarHBondContact O-N 3.16Å; P267-C328 CarbonylContact C-O 3.5Å; P267-C328 WeakPolarHBondContact CA-O 3.42Å; L268-C328 PolarHBondContact N-O 3.11Å; C328-M330 HydrophobicContact CB-CE 3.97Å; C328-V355 CarbonylContact C-O 3.54Å; C328-V355 VanDerWaalsContact CA-O 3.29Å; C328-V355 WeakPolarHBondContact CA-O 3.27Å; C328-V355 HydrophobicContact CB-CB 4.5Å |
| 329 | Y | 97.9 | Very high | 93.2 | Very high | 13 Ų | 13 | 31 Ų | 31 | 5% | 0.051 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 129.4 | 167.7 | -179.4 | -90 | 0 | 0 | 0 | 109.4 | L268 S335 T339 C340 A343 V355 N356 I357 | L268-Y329 WeakPolarHBondContact O-CA 3.39Å; L268-Y329 WeakPolarHBondContact O-CD2 3.35Å; Y329-S335 WeakPolarHBondContact OH-CB 3.34Å; Y329-T339 PolarHBondContact OH-OG1 2.91Å; Y329-C340 HydrophobicContact CD1-CB 4.22Å; Y329-C340 HydrophobicContact CE1-CB 3.63Å; Y329-C340 HydrophobicContact CE2-CB 4.25Å; Y329-C340 PolarHBondContact OH-N 3.39Å; Y329-A343 HydrophobicContact CD2-CB 3.67Å; Y329-A343 HydrophobicContact CE2-CB 4.46Å; Y329-A343 HydrophobicContact CG-CB 4.3Å; Y329-V355 PolarHBondContact N-O 3.34Å; Y329-N356 WeakPolarHBondContact CD1-OD1 3.27Å; Y329-N356 WeakPolarHBondContact O-CA 3.35Å; Y329-I357 PolarHBondContact O-N 3.21Å |
| 330 | M | 96.9 | Very high | 93 | Very high | 11 Ų | 11 | 28 Ų | 28 | 5% | 0.054 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 82 | -174.9 | -51.5 | -174.8 | -162.9 | 0 | 0 | 110.2 | P267 C328 I357 I359 R401 L404 A405 | P267-M330 HydrophobicContact CB-CE 4.07Å; P267-M330 HydrophobicContact CG-CE 4.19Å; C328-M330 HydrophobicContact CB-CE 3.97Å; M330-I357 CarbonylContact C-O 3.48Å; M330-I357 WeakPolarHBondContact CA-O 3.22Å; M330-I357 HydrophobicContact CB-CD1 4.37Å; M330-I357 HydrophobicContact CB-CG1 3.99Å; M330-I357 HydrophobicContact CG-CD1 3.71Å; M330-I357 HydrophobicContact CG-CG1 3.7Å; M330-I357 HydrophobicContact SD-CD1 4.07Å; M330-I359 HydrophobicContact CB-CG2 3.93Å; M330-R401 HydrophobicContact CB-CG 3.81Å; M330-R401 HydrophobicContact CG-CG 4.49Å; M330-R401 PolarHBondContact O-NE 2.89Å; M330-R401 VanDerWaalsContact SD-CA 3.57Å; M330-R401 HydrophobicContact SD-CB 3.61Å; M330-R401 HydrophobicContact SD-CG 3.88Å; M330-R401 VanDerWaalsContact SD-O 3.33Å; M330-L404 HydrophobicContact SD-CB 4.16Å; M330-A405 HydrophobicContact CE-CB 3.88Å |
| 331 | G | 93.1 | Very high | 92.8 | Very high | 8 Ų | 8 | 29.3 Ų | 29.3 | 8% | 0.082 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 158.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113 | I357 N358 I359 | G331-I357 PolarHBondContact N-O 3.42Å; G331-N358 WeakPolarHBondContact O-CA 3.32Å; G331-I359 WeakPolarHBondContact O-CG1 3.31Å; G331-I359 PolarHBondContact O-N 3.21Å |
| 332 | S | 89.4 | Confident | 92.7 | Very high | 8 Ų | 8 | 31.5 Ų | 31.5 | 6% | 0.056 | 17% | 0.166 | C | C | . | . | trans | -130.6 | 174.8 | 171.8 | 62.6 | 0 | 0 | 0 | 0 | 109.9 | N334 S335 D360 Q397 | S332-N334 PolarHBondContact O-N 2.97Å; S332-N334 PolarHBondContact OG-N 3.14Å; S332-S335 PolarHBondContact N-OG 3.18Å; S332-S335 WeakPolarHBondContact O-CB 3.47Å; S332-S335 PolarHBondContact O-N 3.34Å; S332-S335 PolarHBondContact OG-OG 3.04Å; S332-D360 VanDerWaalsContact CA-OD1 3.27Å; S332-D360 WeakPolarHBondContact CA-OD1 3.46Å; S332-D360 WeakPolarHBondContact CB-OD1 3.31Å; S332-Q397 PolarHBondContact OG-OE1 3.33Å | ||
| 333 | E | 84.3 | Confident | 92.7 | Very high | 115 Ų | 115 | 29.9 Ų | 29.9 | 54% | 0.537 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | -18.7 | 172.6 | 62.9 | -170.7 | -168.1 | 0 | 0 | 113.7 | D360 K364 | E333-D360 VanDerWaalsContact N-CG 3.33Å; E333-D360 PolarHBondContact N-OD1 3.44Å; E333-D360 PolarHBondContact N-OD2 3.29Å; E333-K364 WeakPolarHBondContact OE2-CE 3.43Å; E333-K364 IonicContact OE2-NZ 3.1Å; E333-K364 PolarHBondContact OE2-NZ 3.4Å |
| 334 | N | 82.4 | Confident | 92.8 | Very high | 9 Ų | 9 | 31.5 Ų | 31.5 | 5% | 0.048 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | -9.3 | 178.1 | -55.6 | -48.2 | 0 | 0 | 0 | 113.8 | S332 Q397 L487 E488 P489 | S332-N334 PolarHBondContact O-N 2.97Å; S332-N334 PolarHBondContact OG-N 3.14Å; N334-Q397 PolarHBondContact ND2-OE1 2.81Å; N334-L487 PolarHBondContact ND2-O 3.28Å; N334-E488 WeakPolarHBondContact CB-O 3.18Å; N334-P489 VanDerWaalsContact OD1-CA 3.29Å; N334-P489 WeakPolarHBondContact OD1-CA 3.18Å |
| 335 | S | 84.8 | Confident | 92.9 | Very high | 29 Ų | 29 | 35.5 Ų | 35.5 | 20% | 0.203 | 18% | 0.18 | C | C | . | . | trans | -82.5 | 137.4 | -172.2 | -56.9 | 0 | 0 | 0 | 0 | 111.7 | Y329 S332 E486 | Y329-S335 WeakPolarHBondContact OH-CB 3.34Å; S332-S335 PolarHBondContact N-OG 3.18Å; S332-S335 WeakPolarHBondContact O-CB 3.47Å; S332-S335 PolarHBondContact O-N 3.34Å; S332-S335 PolarHBondContact OG-OG 3.04Å; S335-E486 WeakPolarHBondContact CA-OE2 3.37Å | ||
| 336 | S | 84.6 | Confident | 92.9 | Very high | 26 Ų | 26 | 35.5 Ų | 35.5 | 18% | 0.182 | 18% | 0.18 | C | C | . | . | trans | -77.9 | 153 | 179.7 | 71.3 | 0 | 0 | 0 | 0 | 112.1 | D338 T339 C340 E486 | S336-D338 PolarHBondContact O-N 3.37Å; S336-T339 PolarHBondContact O-OG1 3.03Å; S336-T339 VanDerWaalsContact O-OG1 3.07Å; S336-T339 PolarHBondContact OG-N 3.46Å; S336-T339 VanDerWaalsContact OG-N 3.16Å; S336-T339 PolarHBondContact OG-OG1 3.28Å; S336-C340 PolarHBondContact O-N 3.39Å; S336-E486 WeakPolarHBondContact CB-OE1 3.29Å; S336-E486 PolarHBondContact N-OE2 2.96Å; S336-E486 PolarHBondContact OG-OE1 2.75Å; S336-E486 PolarHBondContact OG-OE2 3.08Å | ||
| 337 | Q | 87.1 | Confident | 92.9 | Very high | 126 Ų | 126 | 35.3 Ų | 35.3 | 59% | 0.589 | 18% | 0.179 | S | C | * | . | H | α-helix | trans | -63.5 | -26.6 | 171 | -171.9 | 62.6 | 19.3 | 0 | 0 | 111.4 | S341 | Q337-S341 WeakPolarHBondContact O-CB 3.43Å; Q337-S341 PolarHBondContact O-N 3.45Å; Q337-S341 PolarHBondContact O-OG 2.77Å |
| 338 | D | 88.4 | Confident | 92.8 | Very high | 107 Ų | 107 | 37.9 Ų | 37.9 | 57% | 0.572 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -71.2 | -44.5 | -178.1 | -63.9 | -19.5 | 0 | 0 | 0 | 111.8 | S336 C340 S341 R342 | S336-D338 PolarHBondContact O-N 3.37Å; D338-C340 VanDerWaalsContact C-N 3.33Å; D338-C340 PolarHBondContact O-N 2.89Å; D338-S341 PolarHBondContact O-N 2.88Å; D338-R342 WeakPolarHBondContact O-CG 3.46Å; D338-R342 PolarHBondContact O-N 3.48Å; D338-R342 PolarHBondContact O-NH1 2.6Å |
| 339 | T | 89.7 | Confident | 92.8 | Very high | 12 Ų | 12 | 39.6 Ų | 39.6 | 7% | 0.074 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.5 | -42.3 | 175.4 | 51.7 | 0 | 0 | 0 | 0 | 111.4 | Y329 S336 S341 R342 A343 E486 | Y329-T339 PolarHBondContact OH-OG1 2.91Å; S336-T339 PolarHBondContact O-OG1 3.03Å; S336-T339 VanDerWaalsContact O-OG1 3.07Å; S336-T339 PolarHBondContact OG-N 3.46Å; S336-T339 VanDerWaalsContact OG-N 3.16Å; S336-T339 PolarHBondContact OG-OG1 3.28Å; T339-S341 PolarHBondContact O-N 2.96Å; T339-R342 PolarHBondContact O-N 2.85Å; T339-A343 WeakPolarHBondContact O-CB 3.46Å; T339-A343 PolarHBondContact O-N 3.37Å; T339-E486 VanDerWaalsContact CG2-CD 3.41Å; T339-E486 HydrophobicContact CG2-CG 4.47Å; T339-E486 WeakPolarHBondContact CG2-OE1 2.98Å; T339-E486 VanDerWaalsContact CG2-OE2 3.32Å; T339-E486 WeakPolarHBondContact CG2-OE2 3.37Å; T339-E486 PolarHBondContact OG1-OE2 3.39Å |
| 340 | C | 93.2 | Very high | 92.8 | Very high | 8 Ų | 8 | 39 Ų | 39 | 5% | 0.054 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.9 | -44 | 176.3 | -175.7 | 0 | 0 | 0 | 0 | 111.9 | Y329 S336 D338 A343 R344 N356 | Y329-C340 HydrophobicContact CD1-CB 4.22Å; Y329-C340 HydrophobicContact CE1-CB 3.63Å; Y329-C340 HydrophobicContact CE2-CB 4.25Å; Y329-C340 PolarHBondContact OH-N 3.39Å; S336-C340 PolarHBondContact O-N 3.39Å; D338-C340 VanDerWaalsContact C-N 3.33Å; D338-C340 PolarHBondContact O-N 2.89Å; C340-A343 PolarHBondContact O-N 2.75Å; C340-R344 WeakPolarHBondContact O-CB 3.44Å; C340-R344 PolarHBondContact O-N 2.84Å; C340-N356 PolarHBondContact SG-ND2 3.36Å |
| 341 | S | 95.2 | Very high | 92.9 | Very high | 29 Ų | 29 | 39.2 Ų | 39.2 | 20% | 0.203 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -66.5 | -46.2 | 179.7 | -56.4 | 0 | 0 | 0 | 0 | 111 | Q337 D338 T339 A343 R344 D345 | Q337-S341 WeakPolarHBondContact O-CB 3.43Å; Q337-S341 PolarHBondContact O-N 3.45Å; Q337-S341 PolarHBondContact O-OG 2.77Å; D338-S341 PolarHBondContact O-N 2.88Å; T339-S341 PolarHBondContact O-N 2.96Å; S341-A343 VanDerWaalsContact C-N 3.34Å; S341-A343 PolarHBondContact O-N 2.81Å; S341-R344 WeakPolarHBondContact O-CB 3.47Å; S341-R344 PolarHBondContact O-N 3.22Å; S341-R344 VanDerWaalsContact O-N 3.15Å; S341-D345 WeakPolarHBondContact O-CB 3.4Å; S341-D345 PolarHBondContact O-N 3.3Å |
| 342 | R | 95.9 | Very high | 93.1 | Very high | 46 Ų | 46 | 39.4 Ų | 39.4 | 17% | 0.174 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -57.7 | -43.6 | 175.8 | -70.9 | -169.7 | -55.7 | -92.2 | 10.1 | 113 | G270 D338 T339 L346 I478 | G270-R342 PolarHBondContact O-NE 3.19Å; G270-R342 VanDerWaalsContact O-NE 3.09Å; D338-R342 WeakPolarHBondContact O-CG 3.46Å; D338-R342 PolarHBondContact O-N 3.48Å; D338-R342 PolarHBondContact O-NH1 2.6Å; T339-R342 PolarHBondContact O-N 2.85Å; R342-L346 WeakPolarHBondContact O-CB 3.4Å; R342-L346 PolarHBondContact O-N 2.87Å; R342-I478 HydrophobicContact CB-CD1 4.5Å; R342-I478 HydrophobicContact CB-CG1 3.93Å; R342-I478 HydrophobicContact CG-CG1 4.22Å |
| 343 | A | 97.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.1 | -43.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L268 Y329 T339 C340 S341 A347 | L268-A343 HydrophobicContact CD2-CB 4.12Å; L268-A343 VanDerWaalsContact CD2-O 3.3Å; L268-A343 WeakPolarHBondContact CD2-O 3.35Å; L268-A343 HydrophobicContact CG-CB 4.05Å; Y329-A343 HydrophobicContact CD2-CB 3.67Å; Y329-A343 HydrophobicContact CE2-CB 4.46Å; Y329-A343 HydrophobicContact CG-CB 4.3Å; T339-A343 WeakPolarHBondContact O-CB 3.46Å; T339-A343 PolarHBondContact O-N 3.37Å; C340-A343 PolarHBondContact O-N 2.75Å; S341-A343 VanDerWaalsContact C-N 3.34Å; S341-A343 PolarHBondContact O-N 2.81Å; A343-A347 WeakPolarHBondContact O-CB 3.45Å; A343-A347 PolarHBondContact O-N 3.37Å |
| 344 | R | 97.9 | Very high | 94.2 | Very high | 108 Ų | 108 | 38.4 Ų | 38.4 | 41% | 0.408 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -63.9 | -46.6 | 177.4 | -174 | -166.9 | -53.5 | 146.7 | 9.7 | 112 | C340 S341 A347 G348 | C340-R344 WeakPolarHBondContact O-CB 3.44Å; C340-R344 PolarHBondContact O-N 2.84Å; S341-R344 WeakPolarHBondContact O-CB 3.47Å; S341-R344 PolarHBondContact O-N 3.22Å; S341-R344 VanDerWaalsContact O-N 3.15Å; R344-A347 PolarHBondContact O-N 3.05Å; R344-G348 PolarHBondContact O-N 3.1Å |
| 345 | D | 98.1 | Very high | 94.8 | Very high | 85 Ų | 85 | 39.6 Ų | 39.6 | 46% | 0.455 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -64.3 | -47.3 | -176.7 | -64.4 | -17.7 | 0 | 0 | 0 | 110.3 | S341 A347 G348 E349 A474 | S341-D345 WeakPolarHBondContact O-CB 3.4Å; S341-D345 PolarHBondContact O-N 3.3Å; D345-A347 PolarHBondContact O-N 3.41Å; D345-G348 PolarHBondContact O-N 3.02Å; D345-E349 WeakPolarHBondContact O-CG 3.41Å; D345-E349 PolarHBondContact O-N 3.47Å; D345-A474 HydrophobicContact CB-CB 3.95Å |
| 346 | L | 98.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.2 | -44.8 | 175 | 179.4 | 61.8 | 0 | 0 | 0 | 111.7 | L268 S275 A278 R342 G348 E349 I350 L472 A474 L475 I478 | L268-L346 HydrophobicContact CD1-CD2 4.48Å; S275-L346 WeakPolarHBondContact OG-CD2 3.42Å; A278-L346 HydrophobicContact CB-CD2 4.31Å; R342-L346 WeakPolarHBondContact O-CB 3.4Å; R342-L346 PolarHBondContact O-N 2.87Å; L346-G348 VanDerWaalsContact C-N 3.26Å; L346-G348 PolarHBondContact O-N 2.92Å; L346-E349 PolarHBondContact O-N 3.19Å; L346-I350 HydrophobicContact CD1-CG2 3.97Å; L346-I350 WeakPolarHBondContact O-CG1 3.44Å; L346-I350 PolarHBondContact O-N 2.82Å; L346-L472 HydrophobicContact CD1-CD1 4.42Å; L346-A474 HydrophobicContact CB-CB 4.12Å; L346-L475 HydrophobicContact CD1-CD2 3.69Å; L346-L475 HydrophobicContact CD1-CG 4.14Å; L346-L475 HydrophobicContact CD2-CD2 4.01Å; L346-L475 HydrophobicContact CG-CD2 4.49Å; L346-I478 HydrophobicContact CB-CD1 4.21Å; L346-I478 HydrophobicContact CD2-CD1 3.92Å |
| 347 | A | 98.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60 | -37.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L268 A343 R344 D345 I350 G351 S352 H354 | L268-A347 HydrophobicContact CD2-CB 4.14Å; A343-A347 WeakPolarHBondContact O-CB 3.45Å; A343-A347 PolarHBondContact O-N 3.37Å; R344-A347 PolarHBondContact O-N 3.05Å; D345-A347 PolarHBondContact O-N 3.41Å; A347-I350 WeakPolarHBondContact O-CG1 3.07Å; A347-G351 PolarHBondContact O-N 3.38Å; A347-S352 WeakPolarHBondContact CB-OG 3.34Å; A347-S352 PolarHBondContact O-N 2.87Å; A347-S352 PolarHBondContact O-OG 3.47Å; A347-H354 HydrophobicContact CB-CB 3.8Å; A347-H354 WeakPolarHBondContact CB-ND1 3.32Å |
| 348 | G | 98.3 | Very high | 96.2 | Very high | 54 Ų | 54 | 40.7 Ų | 40.7 | 56% | 0.557 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -69.3 | -41.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113 | R344 D345 L346 G351 | R344-G348 PolarHBondContact O-N 3.1Å; D345-G348 PolarHBondContact O-N 3.02Å; L346-G348 VanDerWaalsContact C-N 3.26Å; L346-G348 PolarHBondContact O-N 2.92Å; G348-G351 PolarHBondContact O-N 2.98Å |
| 349 | E | 98.2 | Very high | 96.6 | Very high | 37 Ų | 37 | 35.6 Ų | 35.6 | 17% | 0.173 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64 | -42.6 | 177.8 | -74.9 | -174.5 | 161.4 | 0 | 0 | 112.4 | K318 D345 L346 L472 T473 A474 | K318-E349 VanDerWaalsContact CD-O 3.25Å; K318-E349 WeakPolarHBondContact CD-O 3.4Å; K318-E349 WeakPolarHBondContact CE-O 3.37Å; K318-E349 PolarHBondContact NZ-O 3.05Å; D345-E349 WeakPolarHBondContact O-CG 3.41Å; D345-E349 PolarHBondContact O-N 3.47Å; L346-E349 PolarHBondContact O-N 3.19Å; E349-L472 HydrophobicContact CB-CD2 3.79Å; E349-L472 WeakPolarHBondContact OE2-CA 3.29Å; E349-T473 WeakPolarHBondContact OE1-CA 3.34Å; E349-T473 WeakPolarHBondContact OE1-CB 3.22Å; E349-T473 PolarHBondContact OE1-N 3.34Å; E349-T473 PolarHBondContact OE1-OG1 3.09Å; E349-T473 PolarHBondContact OE2-N 3.18Å; E349-A474 PolarHBondContact OE1-N 3.44Å; E349-A474 VanDerWaalsContact OE1-N 3.08Å; E349-A474 VanDerWaalsContact OE2-CB 3.28Å; E349-A474 WeakPolarHBondContact OE2-CB 3.27Å; E349-A474 PolarHBondContact OE2-N 2.91Å |
| 350 | I | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -80.4 | -16.9 | 178.2 | 70.5 | -174.4 | 0 | 0 | 0 | 113.4 | A278 H282 K318 C321 F325 L346 A347 L472 | A278-I350 HydrophobicContact CB-CD1 3.88Å; H282-I350 HydrophobicContact CB-CB 4.18Å; H282-I350 HydrophobicContact CB-CG2 4.03Å; H282-I350 PolarHBondContact ND1-O 3.36Å; K318-I350 WeakPolarHBondContact CA-O 3.45Å; C321-I350 VanDerWaalsContact CB-O 3.27Å; C321-I350 WeakPolarHBondContact CB-O 3.48Å; C321-I350 PolarHBondContact SG-O 3.03Å; F325-I350 HydrophobicContact CD1-CD1 4.12Å; F325-I350 HydrophobicContact CE1-CD1 3.82Å; L346-I350 HydrophobicContact CD1-CG2 3.97Å; L346-I350 WeakPolarHBondContact O-CG1 3.44Å; L346-I350 PolarHBondContact O-N 2.82Å; A347-I350 WeakPolarHBondContact O-CG1 3.07Å; I350-L472 HydrophobicContact CG2-CD1 3.9Å; I350-L472 HydrophobicContact CG2-CD2 3.9Å |
| 351 | G | 98.1 | Very high | 97 | Very high | 16 Ų | 16 | 41.4 Ų | 41.4 | 17% | 0.165 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 86.1 | 16.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | A322 A347 G348 | A322-G351 WeakPolarHBondContact CA-O 3.48Å; A322-G351 WeakPolarHBondContact CB-O 3.08Å; A322-G351 PolarHBondContact N-O 3.49Å; A347-G351 PolarHBondContact O-N 3.38Å; G348-G351 PolarHBondContact O-N 2.98Å |
| 352 | S | 98.3 | Very high | 97.1 | Very high | 12 Ų | 12 | 42 Ų | 42 | 8% | 0.084 | 24% | 0.241 | C | C | . | . | trans | -69.5 | 153.7 | -179 | 70.2 | 0 | 0 | 0 | 0 | 112.7 | T327 A347 H354 | T327-S352 WeakPolarHBondContact CG2-OG 3.5Å; T327-S352 PolarHBondContact OG1-OG 2.84Å; A347-S352 WeakPolarHBondContact CB-OG 3.34Å; A347-S352 PolarHBondContact O-N 2.87Å; A347-S352 PolarHBondContact O-OG 3.47Å; S352-H354 PolarHBondContact O-N 3.5Å; S352-H354 VanDerWaalsContact O-N 3.11Å | ||
| 353 | T | 97.6 | Very high | 97.1 | Very high | 48 Ų | 48 | 40.5 Ų | 40.5 | 29% | 0.294 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 106.4 | 166.4 | -62.2 | 0 | 0 | 0 | 0 | 108.8 | A322 F325 T326 T327 R416 | A322-T353 PolarHBondContact O-OG1 2.82Å; F325-T353 PolarHBondContact O-N 3.24Å; T326-T353 CarbonylContact C-O 3.56Å; T326-T353 VanDerWaalsContact CA-O 3.28Å; T326-T353 WeakPolarHBondContact CA-O 3.5Å; T326-T353 HydrophobicContact CG2-CG2 4.49Å; T327-T353 PolarHBondContact N-O 2.88Å; T353-R416 PolarHBondContact OG1-NH1 3.02Å |
| 354 | H | 97.9 | Very high | 97 | Very high | 54 Ų | 54 | 45.3 Ų | 45.3 | 25% | 0.25 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 133.1 | -174.9 | -166.2 | 61.5 | 0 | 0 | 0 | 112.9 | T327 A347 S352 | T327-H354 CarbonylContact O-C 3.53Å; T327-H354 WeakPolarHBondContact O-CA 3.11Å; T327-H354 PolarHBondContact OG1-ND1 2.9Å; A347-H354 HydrophobicContact CB-CB 3.8Å; A347-H354 WeakPolarHBondContact CB-ND1 3.32Å; S352-H354 PolarHBondContact O-N 3.5Å; S352-H354 VanDerWaalsContact O-N 3.11Å |
| 355 | V | 96 | Very high | 97 | Very high | 34 Ų | 34 | 42 Ų | 42 | 21% | 0.206 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 135.9 | 175 | -172.8 | 0 | 0 | 0 | 0 | 109.1 | T326 T327 C328 Y329 I357 F408 | T326-V355 HydrophobicContact CG2-CG2 4.23Å; T327-V355 PolarHBondContact O-N 3.48Å; C328-V355 CarbonylContact C-O 3.54Å; C328-V355 VanDerWaalsContact CA-O 3.29Å; C328-V355 WeakPolarHBondContact CA-O 3.27Å; C328-V355 HydrophobicContact CB-CB 4.5Å; Y329-V355 PolarHBondContact N-O 3.34Å; V355-I357 HydrophobicContact CG1-CG2 3.81Å; V355-F408 HydrophobicContact CG1-CE1 3.89Å; V355-F408 HydrophobicContact CG1-CZ 4.32Å |
| 356 | N | 95.8 | Very high | 97 | Very high | 83 Ų | 83 | 41.9 Ų | 41.9 | 44% | 0.444 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 123.3 | 172.2 | -174.5 | -1.9 | 0 | 0 | 0 | 109.1 | Y329 C340 | Y329-N356 WeakPolarHBondContact CD1-OD1 3.27Å; Y329-N356 WeakPolarHBondContact O-CA 3.35Å; C340-N356 PolarHBondContact SG-ND2 3.36Å |
| 357 | I | 94.7 | Very high | 96.9 | Very high | 28 Ų | 28 | 42.7 Ų | 42.7 | 14% | 0.144 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 148.8 | 178.8 | 66.1 | -178 | 0 | 0 | 0 | 111 | Y329 M330 G331 V355 L404 F408 | Y329-I357 PolarHBondContact O-N 3.21Å; M330-I357 CarbonylContact C-O 3.48Å; M330-I357 WeakPolarHBondContact CA-O 3.22Å; M330-I357 HydrophobicContact CB-CD1 4.37Å; M330-I357 HydrophobicContact CB-CG1 3.99Å; M330-I357 HydrophobicContact CG-CD1 3.71Å; M330-I357 HydrophobicContact CG-CG1 3.7Å; M330-I357 HydrophobicContact SD-CD1 4.07Å; G331-I357 PolarHBondContact N-O 3.42Å; V355-I357 HydrophobicContact CG1-CG2 3.81Å; I357-L404 HydrophobicContact CD1-CB 4.02Å; I357-L404 HydrophobicContact CD1-CD1 3.82Å; I357-L404 HydrophobicContact CD1-CG 4.4Å; I357-F408 HydrophobicContact CD1-CD2 4.48Å; I357-F408 HydrophobicContact CD1-CE2 3.92Å; I357-F408 HydrophobicContact CG2-CE2 4.18Å; I357-F408 HydrophobicContact CG2-CZ 3.83Å |
| 358 | N | 95.1 | Very high | 96.8 | Very high | 93 Ų | 93 | 43.8 Ų | 43.8 | 50% | 0.497 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 131.6 | 170.1 | 177.5 | -66.2 | 0 | 0 | 0 | 109.5 | G331 D360 | G331-N358 WeakPolarHBondContact O-CA 3.32Å; N358-D360 PolarHBondContact ND2-OD2 2.91Å; N358-D360 WeakPolarHBondContact OD1-CB 3.46Å; N358-D360 VanDerWaalsContact OD1-CG 3.25Å; N358-D360 PolarHBondContact OD1-N 3.46Å; N358-D360 PolarHBondContact OD1-OD2 3.29Å; N358-D360 VanDerWaalsContact OD1-OD2 3.12Å |
| 359 | I | 96.6 | Very high | 96.8 | Very high | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.005 | 27% | 0.274 | C | S | . | . | trans | -94 | -7 | -175.4 | 70.4 | 176.7 | 0 | 0 | 0 | 114.2 | M330 G331 V361 A362 V363 Q397 V400 R401 L404 | M330-I359 HydrophobicContact CB-CG2 3.93Å; G331-I359 WeakPolarHBondContact O-CG1 3.31Å; G331-I359 PolarHBondContact O-N 3.21Å; I359-V361 VanDerWaalsContact C-N 3.28Å; I359-V361 PolarHBondContact O-N 3.14Å; I359-A362 PolarHBondContact O-N 3.47Å; I359-A362 VanDerWaalsContact O-N 3.07Å; I359-V363 HydrophobicContact CB-CG2 4.42Å; I359-V363 HydrophobicContact CD1-CG2 4.11Å; I359-V363 HydrophobicContact CG1-CG2 4Å; I359-V363 WeakPolarHBondContact O-CG2 3.43Å; I359-V363 PolarHBondContact O-N 3.04Å; I359-Q397 HydrophobicContact CD1-CB 3.99Å; I359-Q397 HydrophobicContact CD1-CG 4.34Å; I359-V400 HydrophobicContact CB-CG1 4.04Å; I359-V400 HydrophobicContact CG2-CG1 4.43Å; I359-R401 HydrophobicContact CD1-CG 3.96Å; I359-R401 HydrophobicContact CG2-CG 4.23Å; I359-L404 HydrophobicContact CB-CD1 4.41Å; I359-L404 HydrophobicContact CG2-CD1 3.69Å | ||
| 360 | D | 95 | Very high | 96.7 | Very high | 19 Ų | 19 | 50.1 Ų | 50.1 | 10% | 0.102 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.8 | -35.4 | -166.9 | -60.9 | -34.7 | 0 | 0 | 0 | 112.2 | S332 E333 N358 A362 V363 K364 | S332-D360 VanDerWaalsContact CA-OD1 3.27Å; S332-D360 WeakPolarHBondContact CA-OD1 3.46Å; S332-D360 WeakPolarHBondContact CB-OD1 3.31Å; E333-D360 VanDerWaalsContact N-CG 3.33Å; E333-D360 PolarHBondContact N-OD1 3.44Å; E333-D360 PolarHBondContact N-OD2 3.29Å; N358-D360 PolarHBondContact ND2-OD2 2.91Å; N358-D360 WeakPolarHBondContact OD1-CB 3.46Å; N358-D360 VanDerWaalsContact OD1-CG 3.25Å; N358-D360 PolarHBondContact OD1-N 3.46Å; N358-D360 PolarHBondContact OD1-OD2 3.29Å; N358-D360 VanDerWaalsContact OD1-OD2 3.12Å; D360-A362 PolarHBondContact O-N 3.17Å; D360-V363 PolarHBondContact O-N 3.32Å; D360-K364 VanDerWaalsContact O-CB 3.22Å; D360-K364 WeakPolarHBondContact O-CB 3.4Å; D360-K364 VanDerWaalsContact O-CG 3.26Å; D360-K364 WeakPolarHBondContact O-CG 3.39Å; D360-K364 PolarHBondContact O-N 3.24Å |
| 361 | V | 96.4 | Very high | 96.7 | Very high | 122 Ų | 122 | 51.6 Ų | 51.6 | 74% | 0.739 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -61.6 | -45.4 | 176.8 | 177.9 | 0 | 0 | 0 | 0 | 110.8 | I359 G365 | I359-V361 VanDerWaalsContact C-N 3.28Å; I359-V361 PolarHBondContact O-N 3.14Å; V361-G365 PolarHBondContact O-N 3.24Å |
| 362 | A | 96.7 | Very high | 96.7 | Very high | 43 Ų | 43 | 57 Ų | 57 | 36% | 0.355 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -68.6 | -42.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | I359 D360 G365 I366 V400 | I359-A362 PolarHBondContact O-N 3.47Å; I359-A362 VanDerWaalsContact O-N 3.07Å; D360-A362 PolarHBondContact O-N 3.17Å; A362-G365 PolarHBondContact O-N 3.37Å; A362-I366 WeakPolarHBondContact O-CG1 3.42Å; A362-I366 PolarHBondContact O-N 3.05Å; A362-V400 HydrophobicContact CB-CG1 3.82Å |
| 363 | V | 96.3 | Very high | 96.7 | Very high | 13 Ų | 13 | 62.1 Ų | 62.1 | 8% | 0.079 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -61.6 | -49.9 | 176.7 | 173.3 | 0 | 0 | 0 | 0 | 110.7 | I359 D360 G365 I366 L367 V396 Q397 V400 | I359-V363 HydrophobicContact CB-CG2 4.42Å; I359-V363 HydrophobicContact CD1-CG2 4.11Å; I359-V363 HydrophobicContact CG1-CG2 4Å; I359-V363 WeakPolarHBondContact O-CG2 3.43Å; I359-V363 PolarHBondContact O-N 3.04Å; D360-V363 PolarHBondContact O-N 3.32Å; V363-G365 VanDerWaalsContact C-N 3.29Å; V363-G365 PolarHBondContact O-N 2.95Å; V363-I366 PolarHBondContact O-N 3.13Å; V363-I366 VanDerWaalsContact O-N 3.17Å; V363-L367 HydrophobicContact CG1-CD1 3.95Å; V363-L367 HydrophobicContact CG1-CG 4.36Å; V363-L367 WeakPolarHBondContact O-CG 3.42Å; V363-L367 PolarHBondContact O-N 2.82Å; V363-V396 HydrophobicContact CG1-CG1 4.25Å; V363-Q397 HydrophobicContact CG1-CG 4.27Å; V363-Q397 HydrophobicContact CG2-CG 4.04Å; V363-V400 HydrophobicContact CG2-CB 4.29Å; V363-V400 HydrophobicContact CG2-CG1 4.34Å; V363-V400 HydrophobicContact CG2-CG2 4.1Å |
| 364 | K | 95.6 | Very high | 96.7 | Very high | 101 Ų | 101 | 62.8 Ų | 62.8 | 44% | 0.439 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -60.9 | -37.8 | 177.5 | -74.6 | 170.1 | -179.5 | 162.7 | 0 | 111.7 | E333 D360 G368 | E333-K364 WeakPolarHBondContact OE2-CE 3.43Å; E333-K364 IonicContact OE2-NZ 3.1Å; E333-K364 PolarHBondContact OE2-NZ 3.4Å; D360-K364 VanDerWaalsContact O-CB 3.22Å; D360-K364 WeakPolarHBondContact O-CB 3.4Å; D360-K364 VanDerWaalsContact O-CG 3.26Å; D360-K364 WeakPolarHBondContact O-CG 3.39Å; D360-K364 PolarHBondContact O-N 3.24Å; K364-G368 PolarHBondContact O-N 2.81Å |
| 365 | G | 97.4 | Very high | 96.6 | Very high | 40 Ų | 40 | 63.6 Ų | 63.6 | 41% | 0.412 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -59.3 | -48.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113 | V361 A362 V363 G368 I369 | V361-G365 PolarHBondContact O-N 3.24Å; A362-G365 PolarHBondContact O-N 3.37Å; V363-G365 VanDerWaalsContact C-N 3.29Å; V363-G365 PolarHBondContact O-N 2.95Å; G365-G368 PolarHBondContact O-N 3.41Å; G365-I369 WeakPolarHBondContact O-CG1 3.4Å; G365-I369 PolarHBondContact O-N 3.34Å; G365-I369 VanDerWaalsContact O-N 3.14Å |
| 366 | I | 96.9 | Very high | 96.6 | Very high | 81 Ų | 81 | 71.3 Ų | 71.3 | 42% | 0.415 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -64.3 | -45.2 | 178.5 | -68.6 | 166.6 | 0 | 0 | 0 | 111.5 | A362 V363 G368 I369 F370 V396 V400 | A362-I366 WeakPolarHBondContact O-CG1 3.42Å; A362-I366 PolarHBondContact O-N 3.05Å; V363-I366 PolarHBondContact O-N 3.13Å; V363-I366 VanDerWaalsContact O-N 3.17Å; I366-G368 VanDerWaalsContact C-N 3.3Å; I366-G368 PolarHBondContact O-N 3.45Å; I366-I369 PolarHBondContact O-N 2.75Å; I366-F370 PolarHBondContact O-N 2.94Å; I366-V396 HydrophobicContact CB-CG1 4.49Å; I366-V396 HydrophobicContact CG2-CG1 4.12Å; I366-V400 HydrophobicContact CD1-CG2 3.41Å; I366-V400 VanDerWaalsContact CD1-CG2 3.41Å |
| 367 | L | 96.3 | Very high | 96.6 | Very high | 17 Ų | 17 | 73.4 Ų | 73.4 | 9% | 0.089 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -66.1 | -34.3 | 177.4 | -64 | 178.7 | 0 | 0 | 0 | 111.9 | V363 F370 S371 W377 P378 L393 | V363-L367 HydrophobicContact CG1-CD1 3.95Å; V363-L367 HydrophobicContact CG1-CG 4.36Å; V363-L367 WeakPolarHBondContact O-CG 3.42Å; V363-L367 PolarHBondContact O-N 2.82Å; L367-F370 PolarHBondContact O-N 3.02Å; L367-S371 WeakPolarHBondContact O-CB 3.49Å; L367-S371 PolarHBondContact O-N 3.4Å; L367-W377 HydrophobicContact CB-CH2 3.58Å; L367-W377 HydrophobicContact CB-CZ2 3.88Å; L367-W377 HydrophobicContact CB-CZ3 4.04Å; L367-W377 HydrophobicContact CD1-CZ2 4.05Å; L367-P378 HydrophobicContact CD2-CG 4.14Å; L367-L393 HydrophobicContact CD1-CD2 3.56Å; L367-L393 HydrophobicContact CD2-CD2 3.77Å; L367-L393 HydrophobicContact CG-CD2 4.33Å |
| 368 | G | 97.6 | Very high | 96.7 | Very high | 24 Ų | 24 | 73 Ų | 73 | 25% | 0.247 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -57.2 | -47.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | K364 G365 I366 F370 S371 V372 | K364-G368 PolarHBondContact O-N 2.81Å; G365-G368 PolarHBondContact O-N 3.41Å; I366-G368 VanDerWaalsContact C-N 3.3Å; I366-G368 PolarHBondContact O-N 3.45Å; G368-F370 PolarHBondContact O-N 3.42Å; G368-S371 PolarHBondContact O-N 3.47Å; G368-V372 VanDerWaalsContact O-CG2 3.31Å; G368-V372 WeakPolarHBondContact O-CG2 3.29Å; G368-V372 PolarHBondContact O-N 3.27Å |
| 369 | I | 97.6 | Very high | 96.6 | Very high | 119 Ų | 119 | 72.9 Ų | 72.9 | 61% | 0.61 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -59.1 | -47.2 | 176.2 | -64.5 | 164.8 | 0 | 0 | 0 | 110.8 | G365 I366 S371 V372 V373 | G365-I369 WeakPolarHBondContact O-CG1 3.4Å; G365-I369 PolarHBondContact O-N 3.34Å; G365-I369 VanDerWaalsContact O-N 3.14Å; I366-I369 PolarHBondContact O-N 2.75Å; I369-S371 VanDerWaalsContact C-N 3.33Å; I369-S371 PolarHBondContact O-N 3.45Å; I369-V372 PolarHBondContact O-N 3.43Å; I369-V373 WeakPolarHBondContact O-CG2 3.33Å; I369-V373 PolarHBondContact O-N 3.05Å |
| 370 | F | 97.6 | Very high | 96.3 | Very high | 104 Ų | 104 | 73.7 Ų | 73.7 | 46% | 0.456 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -59.9 | -43.7 | 177.4 | 178.2 | -93 | 0 | 0 | 0 | 112.1 | I366 L367 G368 V373 T374 | I366-F370 PolarHBondContact O-N 2.94Å; L367-F370 PolarHBondContact O-N 3.02Å; G368-F370 PolarHBondContact O-N 3.42Å; F370-V373 PolarHBondContact O-N 3.12Å; F370-T374 HydrophobicContact CD2-CG2 4.04Å; F370-T374 HydrophobicContact CE1-CG2 4.21Å; F370-T374 WeakPolarHBondContact CE1-OG1 3.42Å; F370-T374 HydrophobicContact CE2-CG2 3.71Å; F370-T374 HydrophobicContact CG-CG2 4.43Å; F370-T374 HydrophobicContact CZ-CG2 3.81Å; F370-T374 WeakPolarHBondContact O-CB 3.4Å; F370-T374 WeakPolarHBondContact O-CG2 3.41Å; F370-T374 PolarHBondContact O-N 3.16Å; F370-T374 PolarHBondContact O-OG1 3.21Å |
| 371 | S | 97.1 | Very high | 96 | Very high | 32 Ų | 32 | 77.4 Ų | 77.4 | 22% | 0.224 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -65.6 | -42.6 | -179.8 | -174.8 | 0 | 0 | 0 | 0 | 112.3 | L367 G368 I369 V373 T374 G375 R376 | L367-S371 WeakPolarHBondContact O-CB 3.49Å; L367-S371 PolarHBondContact O-N 3.4Å; G368-S371 PolarHBondContact O-N 3.47Å; I369-S371 VanDerWaalsContact C-N 3.33Å; I369-S371 PolarHBondContact O-N 3.45Å; S371-V373 VanDerWaalsContact C-N 3.28Å; S371-V373 PolarHBondContact O-N 2.78Å; S371-T374 PolarHBondContact O-N 3.23Å; S371-G375 VanDerWaalsContact O-CA 3.29Å; S371-G375 WeakPolarHBondContact O-CA 3.37Å; S371-G375 PolarHBondContact O-N 2.91Å; S371-R376 WeakPolarHBondContact CA-O 3.37Å |
| 372 | V | 97.8 | Very high | 95.5 | Very high | 129 Ų | 129 | 73.4 Ų | 73.4 | 78% | 0.782 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -59.9 | -38.9 | 176.6 | 168.9 | 0 | 0 | 0 | 0 | 111.6 | G368 I369 | G368-V372 VanDerWaalsContact O-CG2 3.31Å; G368-V372 WeakPolarHBondContact O-CG2 3.29Å; G368-V372 PolarHBondContact O-N 3.27Å; I369-V372 PolarHBondContact O-N 3.43Å |
| 373 | V | 97.7 | Very high | 95.1 | Very high | 119 Ų | 119 | 76.3 Ų | 76.3 | 72% | 0.721 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -80.2 | -38 | -178.2 | 175.8 | 0 | 0 | 0 | 0 | 112.6 | I369 F370 S371 | I369-V373 WeakPolarHBondContact O-CG2 3.33Å; I369-V373 PolarHBondContact O-N 3.05Å; F370-V373 PolarHBondContact O-N 3.12Å; S371-V373 VanDerWaalsContact C-N 3.28Å; S371-V373 PolarHBondContact O-N 2.78Å |
| 374 | T | 97.6 | Very high | 94.7 | Very high | 63 Ų | 63 | 78.9 Ų | 78.9 | 39% | 0.387 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -102.1 | -14.1 | -170.8 | 65.3 | 0 | 0 | 0 | 0 | 114.4 | F370 S371 R376 | F370-T374 HydrophobicContact CD2-CG2 4.04Å; F370-T374 HydrophobicContact CE1-CG2 4.21Å; F370-T374 WeakPolarHBondContact CE1-OG1 3.42Å; F370-T374 HydrophobicContact CE2-CG2 3.71Å; F370-T374 HydrophobicContact CG-CG2 4.43Å; F370-T374 HydrophobicContact CZ-CG2 3.81Å; F370-T374 WeakPolarHBondContact O-CB 3.4Å; F370-T374 WeakPolarHBondContact O-CG2 3.41Å; F370-T374 PolarHBondContact O-N 3.16Å; F370-T374 PolarHBondContact O-OG1 3.21Å; S371-T374 PolarHBondContact O-N 3.23Å; T374-R376 PolarHBondContact O-N 2.93Å; T374-R376 PolarHBondContact OG1-N 3.39Å; T374-R376 PolarHBondContact OG1-O 3.33Å |
| 375 | G | 96.8 | Very high | 94.6 | Very high | 70 Ų | 70 | 74.3 Ų | 74.3 | 72% | 0.722 | 43% | 0.428 | S | S | * | . | S | Bend | trans | 67.7 | 14 | -172 | 0 | 0 | 0 | 0 | 0 | 114 | S371 | S371-G375 VanDerWaalsContact O-CA 3.29Å; S371-G375 WeakPolarHBondContact O-CA 3.37Å; S371-G375 PolarHBondContact O-N 2.91Å |
| 376 | R | 96.2 | Very high | 94.4 | Very high | 197 Ų | 197 | 75 Ų | 75 | 74% | 0.743 | 43% | 0.426 | S | S | * | . | trans | -127.8 | 139.1 | -177.9 | -65.2 | -169.4 | 178.9 | -151.7 | -0.3 | 111.9 | S371 T374 | S371-R376 WeakPolarHBondContact CA-O 3.37Å; T374-R376 PolarHBondContact O-N 2.93Å; T374-R376 PolarHBondContact OG1-N 3.39Å; T374-R376 PolarHBondContact OG1-O 3.33Å | ||
| 377 | W | 96.1 | Very high | 94.1 | Very high | 127 Ų | 127 | 77.1 Ų | 77.1 | 48% | 0.481 | 44% | 0.438 | S | S | . | . | trans | -108.2 | 114.6 | 171.9 | -169.2 | -85.2 | 0 | 0 | 0 | 110 | L367 | L367-W377 HydrophobicContact CB-CH2 3.58Å; L367-W377 HydrophobicContact CB-CZ2 3.88Å; L367-W377 HydrophobicContact CB-CZ3 4.04Å; L367-W377 HydrophobicContact CD1-CZ2 4.05Å | ||
| 378 | P | 95.7 | Very high | 94 | Very high | 18 Ų | 18 | 86.4 Ų | 86.4 | 12% | 0.117 | 47% | 0.472 | C | S | . | . | trans | -67.2 | 146.6 | 178.9 | 26.6 | -32.2 | 0 | 0 | 0 | 111.5 | L367 E389 L393 | L367-P378 HydrophobicContact CD2-CG 4.14Å; P378-E389 HydrophobicContact CB-CB 4.14Å; P378-E389 HydrophobicContact CB-CG 4.14Å; P378-L393 HydrophobicContact CB-CD2 4.34Å; P378-L393 HydrophobicContact CB-CG 4.35Å; P378-L393 HydrophobicContact CG-CD2 3.93Å; P378-L393 HydrophobicContact CG-CG 4.46Å | ||
| 379 | Q | 93.3 | Very high | 93.9 | Very high | 91 Ų | 91 | 88.1 Ų | 88.1 | 43% | 0.425 | 47% | 0.474 | S | S | . | . | trans | -118.2 | 149.7 | -178.7 | -65.1 | -179.4 | -14.5 | 0 | 0 | 112.4 | N383 G385 E389 | Q379-N383 HydrophobicContact CB-CB 4.44Å; Q379-N383 PolarHBondContact OE1-O 2.92Å; Q379-G385 WeakPolarHBondContact O-CA 3.33Å; Q379-E389 PolarHBondContact N-OE2 3.04Å; Q379-E389 WeakPolarHBondContact O-CB 3.46Å | ||
| 380 | F | 91 | Very high | 93.7 | Very high | 19 Ų | 19 | 83.1 Ų | 83.1 | 8% | 0.083 | 45% | 0.448 | C | S | . | . | trans | -68.1 | 157.3 | 169 | -74.3 | -74.3 | 0 | 0 | 0 | 110.6 | A382 N383 G384 G385 L393 Q394 L487 P489 | F380-A382 VanDerWaalsContact C-N 3.26Å; F380-A382 PolarHBondContact O-N 3.05Å; F380-N383 CarbonylContact O-C 3.52Å; F380-N383 WeakPolarHBondContact O-CA 3.46Å; F380-N383 PolarHBondContact O-N 2.97Å; F380-G384 PolarHBondContact O-N 2.8Å; F380-G385 PolarHBondContact O-N 3.48Å; F380-L393 HydrophobicContact CB-CD1 4.44Å; F380-L393 HydrophobicContact CD1-CB 4.08Å; F380-L393 HydrophobicContact CD1-CD1 3.89Å; F380-L393 HydrophobicContact CD2-CD1 3.89Å; F380-L393 HydrophobicContact CE1-CB 3.58Å; F380-L393 HydrophobicContact CE1-CD1 4.08Å; F380-L393 HydrophobicContact CE1-CG 4.47Å; F380-L393 HydrophobicContact CE2-CD1 4.07Å; F380-L393 HydrophobicContact CG-CD1 3.79Å; F380-L393 HydrophobicContact CZ-CB 3.83Å; F380-L393 HydrophobicContact CZ-CD1 4.16Å; F380-Q394 HydrophobicContact CE1-CG 4.49Å; F380-L487 VanDerWaalsContact CE1-O 3.29Å; F380-L487 WeakPolarHBondContact CE1-O 3.45Å; F380-P489 HydrophobicContact CB-CG 4.02Å; F380-P489 HydrophobicContact CD2-CG 3.69Å; F380-P489 HydrophobicContact CE2-CG 4.25Å; F380-P489 VanDerWaalsContact CG-CD 3.46Å; F380-P489 HydrophobicContact CG-CG 3.84Å | ||
| 381 | H | 88.8 | Confident | 93.4 | Very high | 96 Ų | 96 | 82.7 Ų | 82.7 | 44% | 0.444 | 45% | 0.45 | S | S | . | . | G | 310 helix | trans | -59.3 | -38.5 | 178.7 | -175.5 | -108 | 0 | 0 | 0 | 112.1 | N383 G384 N390 | H381-N383 PolarHBondContact O-N 2.97Å; H381-N383 VanDerWaalsContact O-N 3.11Å; H381-G384 PolarHBondContact O-N 3.3Å; H381-N390 HydrophobicContact CB-CB 4.1Å; H381-N390 PolarHBondContact N-OD1 2.5Å |
| 382 | A | 85.5 | Confident | 93.4 | Very high | 39 Ų | 39 | 83.3 Ų | 83.3 | 32% | 0.322 | 46% | 0.457 | S | S | . | . | G | 310 helix | trans | -56.8 | -25.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | F380 P489 | F380-A382 VanDerWaalsContact C-N 3.26Å; F380-A382 PolarHBondContact O-N 3.05Å; A382-P489 HydrophobicContact CB-CB 4.37Å |
| 383 | N | 87.8 | Confident | 93.3 | Very high | 103 Ų | 103 | 77.6 Ų | 77.6 | 55% | 0.551 | 42% | 0.422 | S | S | * | . | G | 310 helix | trans | -104.7 | 13.1 | -178.4 | -60.7 | -13.7 | 0 | 0 | 0 | 112.7 | Q379 F380 H381 | Q379-N383 HydrophobicContact CB-CB 4.44Å; Q379-N383 PolarHBondContact OE1-O 2.92Å; F380-N383 CarbonylContact O-C 3.52Å; F380-N383 WeakPolarHBondContact O-CA 3.46Å; F380-N383 PolarHBondContact O-N 2.97Å; H381-N383 PolarHBondContact O-N 2.97Å; H381-N383 VanDerWaalsContact O-N 3.11Å |
| 384 | G | 88.9 | Confident | 93.1 | Very high | 68 Ų | 68 | 73.4 Ų | 73.4 | 70% | 0.701 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.5 | 7.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | F380 H381 | F380-G384 PolarHBondContact O-N 2.8Å; H381-G384 PolarHBondContact O-N 3.3Å |
| 385 | G | 91.9 | Very high | 93 | Very high | 5 Ų | 5 | 71.9 Ų | 71.9 | 5% | 0.052 | 38% | 0.384 | C | S | . | . | trans | -72.7 | 155.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q379 F380 | Q379-G385 WeakPolarHBondContact O-CA 3.33Å; F380-G385 PolarHBondContact O-N 3.48Å | ||
| 386 | S | 94.9 | Very high | 93 | Very high | 54 Ų | 54 | 70 Ų | 70 | 38% | 0.378 | 36% | 0.359 | S | S | . | . | trans | -71.4 | 162.1 | 176.4 | 67.1 | 0 | 0 | 0 | 0 | 112.9 | R388 E389 N390 | S386-R388 PolarHBondContact O-N 2.88Å; S386-R388 VanDerWaalsContact O-N 3.09Å; S386-E389 VanDerWaalsContact CB-OE1 3.26Å; S386-E389 WeakPolarHBondContact CB-OE1 3.46Å; S386-E389 PolarHBondContact N-OE1 3.02Å; S386-E389 PolarHBondContact O-N 3.39Å; S386-E389 WeakPolarHBondContact OG-CG 3.37Å; S386-E389 PolarHBondContact OG-N 3.01Å; S386-E389 PolarHBondContact OG-OE1 3.08Å; S386-N390 WeakPolarHBondContact O-CB 3.2Å; S386-N390 PolarHBondContact O-N 2.84Å | ||
| 387 | N | 90.6 | Very high | 93 | Very high | 125 Ų | 125 | 60.8 Ų | 60.8 | 67% | 0.668 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -52.8 | -34.2 | 174.2 | -68.7 | -7.8 | 0 | 0 | 0 | 112.9 | L391 | N387-L391 VanDerWaalsContact O-CB 3.29Å; N387-L391 WeakPolarHBondContact O-CB 3.31Å; N387-L391 PolarHBondContact O-N 3.19Å; N387-L391 VanDerWaalsContact O-N 3.08Å |
| 388 | R | 94.6 | Very high | 93 | Very high | 212 Ų | 212 | 55 Ų | 55 | 80% | 0.8 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -70 | -44.4 | 178.4 | -179.1 | -178.9 | -71.2 | -173.5 | -0.9 | 111.6 | S386 A392 | S386-R388 PolarHBondContact O-N 2.88Å; S386-R388 VanDerWaalsContact O-N 3.09Å; R388-A392 VanDerWaalsContact O-CB 3.31Å; R388-A392 WeakPolarHBondContact O-CB 3.19Å; R388-A392 PolarHBondContact O-N 3.43Å |
| 389 | E | 95.4 | Very high | 93.2 | Very high | 61 Ų | 61 | 58.8 Ų | 58.8 | 29% | 0.285 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -65.2 | -46.9 | 178.4 | -69.3 | 164.6 | -96.2 | 0 | 0 | 110.8 | P378 Q379 S386 L391 A392 L393 | P378-E389 HydrophobicContact CB-CB 4.14Å; P378-E389 HydrophobicContact CB-CG 4.14Å; Q379-E389 PolarHBondContact N-OE2 3.04Å; Q379-E389 WeakPolarHBondContact O-CB 3.46Å; S386-E389 VanDerWaalsContact CB-OE1 3.26Å; S386-E389 WeakPolarHBondContact CB-OE1 3.46Å; S386-E389 PolarHBondContact N-OE1 3.02Å; S386-E389 PolarHBondContact O-N 3.39Å; S386-E389 WeakPolarHBondContact OG-CG 3.37Å; S386-E389 PolarHBondContact OG-N 3.01Å; S386-E389 PolarHBondContact OG-OE1 3.08Å; E389-L391 PolarHBondContact O-N 2.88Å; E389-A392 WeakPolarHBondContact O-CB 3.18Å; E389-A392 PolarHBondContact O-N 2.73Å; E389-A392 VanDerWaalsContact O-N 3.1Å; E389-L393 WeakPolarHBondContact O-CG 3.14Å; E389-L393 PolarHBondContact O-N 2.79Å |
| 390 | N | 92 | Very high | 93.4 | Very high | 13 Ų | 13 | 54.9 Ų | 54.9 | 7% | 0.07 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -55.7 | -51.7 | 177.8 | -171.3 | 69.3 | 0 | 0 | 0 | 111.7 | H381 S386 A392 L393 Q394 E488 | H381-N390 HydrophobicContact CB-CB 4.1Å; H381-N390 PolarHBondContact N-OD1 2.5Å; S386-N390 WeakPolarHBondContact O-CB 3.2Å; S386-N390 PolarHBondContact O-N 2.84Å; N390-A392 VanDerWaalsContact C-N 3.32Å; N390-A392 PolarHBondContact O-N 3.41Å; N390-L393 PolarHBondContact O-N 2.97Å; N390-Q394 PolarHBondContact ND2-NE2 3.44Å; N390-Q394 WeakPolarHBondContact O-CG 3.31Å; N390-Q394 PolarHBondContact O-N 3.07Å; N390-Q394 VanDerWaalsContact O-N 3.1Å; N390-E488 PolarHBondContact ND2-OE1 3.15Å |
| 391 | L | 92.8 | Very high | 93.7 | Very high | 96 Ų | 96 | 55.7 Ų | 55.7 | 50% | 0.503 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.3 | -37.9 | 176.4 | -179.6 | 60.6 | 0 | 0 | 0 | 112.2 | N387 E389 N395 | N387-L391 VanDerWaalsContact O-CB 3.29Å; N387-L391 WeakPolarHBondContact O-CB 3.31Å; N387-L391 PolarHBondContact O-N 3.19Å; N387-L391 VanDerWaalsContact O-N 3.08Å; E389-L391 PolarHBondContact O-N 2.88Å; L391-N395 VanDerWaalsContact O-CB 3.31Å; L391-N395 WeakPolarHBondContact O-CB 3.49Å; L391-N395 PolarHBondContact O-N 2.88Å; L391-N395 PolarHBondContact O-ND2 2.97Å |
| 392 | A | 95.6 | Very high | 94.2 | Very high | 45 Ų | 45 | 53 Ų | 53 | 37% | 0.372 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64.4 | -43 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | R388 E389 N390 N395 V396 | R388-A392 VanDerWaalsContact O-CB 3.31Å; R388-A392 WeakPolarHBondContact O-CB 3.19Å; R388-A392 PolarHBondContact O-N 3.43Å; E389-A392 WeakPolarHBondContact O-CB 3.18Å; E389-A392 PolarHBondContact O-N 2.73Å; E389-A392 VanDerWaalsContact O-N 3.1Å; N390-A392 VanDerWaalsContact C-N 3.32Å; N390-A392 PolarHBondContact O-N 3.41Å; A392-N395 PolarHBondContact O-N 2.9Å; A392-V396 WeakPolarHBondContact O-CG2 3.06Å; A392-V396 PolarHBondContact O-N 2.97Å |
| 393 | L | 95.3 | Very high | 94.8 | Very high | 8 Ų | 8 | 55.5 Ų | 55.5 | 4% | 0.042 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.3 | -44.2 | 177.6 | -72.4 | 172.7 | 0 | 0 | 0 | 112.3 | L367 P378 F380 E389 N390 V396 Q397 | L367-L393 HydrophobicContact CD1-CD2 3.56Å; L367-L393 HydrophobicContact CD2-CD2 3.77Å; L367-L393 HydrophobicContact CG-CD2 4.33Å; P378-L393 HydrophobicContact CB-CD2 4.34Å; P378-L393 HydrophobicContact CB-CG 4.35Å; P378-L393 HydrophobicContact CG-CD2 3.93Å; P378-L393 HydrophobicContact CG-CG 4.46Å; F380-L393 HydrophobicContact CB-CD1 4.44Å; F380-L393 HydrophobicContact CD1-CB 4.08Å; F380-L393 HydrophobicContact CD1-CD1 3.89Å; F380-L393 HydrophobicContact CD2-CD1 3.89Å; F380-L393 HydrophobicContact CE1-CB 3.58Å; F380-L393 HydrophobicContact CE1-CD1 4.08Å; F380-L393 HydrophobicContact CE1-CG 4.47Å; F380-L393 HydrophobicContact CE2-CD1 4.07Å; F380-L393 HydrophobicContact CG-CD1 3.79Å; F380-L393 HydrophobicContact CZ-CB 3.83Å; F380-L393 HydrophobicContact CZ-CD1 4.16Å; E389-L393 WeakPolarHBondContact O-CG 3.14Å; E389-L393 PolarHBondContact O-N 2.79Å; N390-L393 PolarHBondContact O-N 2.97Å; L393-V396 PolarHBondContact O-N 3.33Å; L393-Q397 WeakPolarHBondContact O-CG 3.46Å; L393-Q397 PolarHBondContact O-N 3.16Å; L393-Q397 PolarHBondContact O-NE2 2.76Å |
| 394 | Q | 93.9 | Very high | 95.3 | Very high | 32 Ų | 32 | 52.1 Ų | 52.1 | 15% | 0.15 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.4 | -45.8 | 173.7 | -66.3 | -176.8 | 46.9 | 0 | 0 | 111.4 | F380 N390 V396 Q397 A398 L487 E488 | F380-Q394 HydrophobicContact CE1-CG 4.49Å; N390-Q394 PolarHBondContact ND2-NE2 3.44Å; N390-Q394 WeakPolarHBondContact O-CG 3.31Å; N390-Q394 PolarHBondContact O-N 3.07Å; N390-Q394 VanDerWaalsContact O-N 3.1Å; Q394-V396 VanDerWaalsContact C-N 3.34Å; Q394-V396 PolarHBondContact O-N 3.42Å; Q394-Q397 PolarHBondContact O-N 3.21Å; Q394-A398 WeakPolarHBondContact O-CB 3.49Å; Q394-A398 PolarHBondContact O-N 3.26Å; Q394-L487 HydrophobicContact CB-CB 4.09Å; Q394-L487 HydrophobicContact CB-CD1 4.21Å; Q394-L487 HydrophobicContact CG-CB 3.76Å; Q394-E488 HydrophobicContact CG-CG 4.18Å; Q394-E488 PolarHBondContact NE2-OE1 3.24Å |
| 395 | N | 96.1 | Very high | 95.7 | Very high | 30 Ų | 30 | 49 Ų | 49 | 16% | 0.16 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.1 | -36.8 | 179.1 | -72.2 | -29.2 | 0 | 0 | 0 | 112.8 | L391 A392 A398 R399 T439 | L391-N395 VanDerWaalsContact O-CB 3.31Å; L391-N395 WeakPolarHBondContact O-CB 3.49Å; L391-N395 PolarHBondContact O-N 2.88Å; L391-N395 PolarHBondContact O-ND2 2.97Å; A392-N395 PolarHBondContact O-N 2.9Å; N395-A398 PolarHBondContact O-N 2.84Å; N395-R399 WeakPolarHBondContact O-CG 3.5Å; N395-R399 PolarHBondContact O-N 2.95Å; N395-T439 HydrophobicContact CB-CG2 3.91Å; N395-T439 WeakPolarHBondContact OD1-CG2 3.47Å; N395-T439 PolarHBondContact OD1-OG1 3.28Å |
| 396 | V | 97.3 | Very high | 96.1 | Very high | 30 Ų | 30 | 51.4 Ų | 51.4 | 18% | 0.182 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.9 | -48.7 | 176 | 168.8 | 0 | 0 | 0 | 0 | 110 | V363 I366 A392 L393 Q394 A398 R399 V400 | V363-V396 HydrophobicContact CG1-CG1 4.25Å; I366-V396 HydrophobicContact CB-CG1 4.49Å; I366-V396 HydrophobicContact CG2-CG1 4.12Å; A392-V396 WeakPolarHBondContact O-CG2 3.06Å; A392-V396 PolarHBondContact O-N 2.97Å; L393-V396 PolarHBondContact O-N 3.33Å; Q394-V396 VanDerWaalsContact C-N 3.34Å; Q394-V396 PolarHBondContact O-N 3.42Å; V396-A398 VanDerWaalsContact C-N 3.32Å; V396-A398 PolarHBondContact O-N 3.38Å; V396-R399 PolarHBondContact O-N 3.36Å; V396-V400 HydrophobicContact CG1-CG2 4.34Å; V396-V400 VanDerWaalsContact O-CG2 3.31Å; V396-V400 WeakPolarHBondContact O-CG2 3.32Å; V396-V400 PolarHBondContact O-N 3.14Å |
| 397 | Q | 96.5 | Very high | 96.2 | Very high | 4 Ų | 4 | 52.7 Ų | 52.7 | 2% | 0.019 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -57.3 | -46 | 175.9 | -67.1 | 173.4 | 77.1 | 0 | 0 | 111.4 | S332 N334 I359 V363 L393 Q394 R399 V400 R401 L487 | S332-Q397 PolarHBondContact OG-OE1 3.33Å; N334-Q397 PolarHBondContact ND2-OE1 2.81Å; I359-Q397 HydrophobicContact CD1-CB 3.99Å; I359-Q397 HydrophobicContact CD1-CG 4.34Å; V363-Q397 HydrophobicContact CG1-CG 4.27Å; V363-Q397 HydrophobicContact CG2-CG 4.04Å; L393-Q397 WeakPolarHBondContact O-CG 3.46Å; L393-Q397 PolarHBondContact O-N 3.16Å; L393-Q397 PolarHBondContact O-NE2 2.76Å; Q394-Q397 PolarHBondContact O-N 3.21Å; Q397-R399 PolarHBondContact O-N 2.77Å; Q397-V400 PolarHBondContact O-N 3.33Å; Q397-R401 WeakPolarHBondContact O-CG 3.33Å; Q397-R401 PolarHBondContact O-N 3Å; Q397-L487 HydrophobicContact CB-CD2 4.45Å; Q397-L487 PolarHBondContact NE2-O 2.96Å |
| 398 | A | 96 | Very high | 96.6 | Very high | 6 Ų | 6 | 49.5 Ų | 49.5 | 5% | 0.05 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.2 | -41.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q394 N395 V396 M402 T439 D442 | Q394-A398 WeakPolarHBondContact O-CB 3.49Å; Q394-A398 PolarHBondContact O-N 3.26Å; N395-A398 PolarHBondContact O-N 2.84Å; V396-A398 VanDerWaalsContact C-N 3.32Å; V396-A398 PolarHBondContact O-N 3.38Å; A398-M402 PolarHBondContact O-N 2.87Å; A398-T439 HydrophobicContact CB-CG2 4.28Å; A398-D442 HydrophobicContact CB-CB 3.59Å; A398-D442 WeakPolarHBondContact O-CB 3.13Å |
| 399 | R | 98.1 | Very high | 96.8 | Very high | 97 Ų | 97 | 39.5 Ų | 39.5 | 37% | 0.366 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -74.6 | -34.7 | 178.3 | -66.4 | -171.5 | -169.3 | 103.6 | 5.2 | 113.6 | N395 V396 Q397 R401 M402 V403 T439 K440 | N395-R399 WeakPolarHBondContact O-CG 3.5Å; N395-R399 PolarHBondContact O-N 2.95Å; V396-R399 PolarHBondContact O-N 3.36Å; Q397-R399 PolarHBondContact O-N 2.77Å; R399-R401 VanDerWaalsContact C-N 3.26Å; R399-R401 PolarHBondContact O-N 3.45Å; R399-M402 WeakPolarHBondContact O-CB 3.27Å; R399-M402 PolarHBondContact O-N 3.27Å; R399-M402 VanDerWaalsContact O-N 3.13Å; R399-V403 PolarHBondContact O-N 3.4Å; R399-T439 HydrophobicContact CG-CG2 4.38Å; R399-K440 PolarHBondContact NE-O 3.39Å; R399-K440 PolarHBondContact NH2-O 2.95Å |
| 400 | V | 98 | Very high | 96.9 | Very high | 9 Ų | 9 | 42.8 Ų | 42.8 | 6% | 0.055 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.1 | -40.5 | 174.4 | 168.1 | 0 | 0 | 0 | 0 | 110.6 | I359 A362 V363 I366 V396 Q397 M402 V403 L404 | I359-V400 HydrophobicContact CB-CG1 4.04Å; I359-V400 HydrophobicContact CG2-CG1 4.43Å; A362-V400 HydrophobicContact CB-CG1 3.82Å; V363-V400 HydrophobicContact CG2-CB 4.29Å; V363-V400 HydrophobicContact CG2-CG1 4.34Å; V363-V400 HydrophobicContact CG2-CG2 4.1Å; I366-V400 HydrophobicContact CD1-CG2 3.41Å; I366-V400 VanDerWaalsContact CD1-CG2 3.41Å; V396-V400 HydrophobicContact CG1-CG2 4.34Å; V396-V400 VanDerWaalsContact O-CG2 3.31Å; V396-V400 WeakPolarHBondContact O-CG2 3.32Å; V396-V400 PolarHBondContact O-N 3.14Å; Q397-V400 PolarHBondContact O-N 3.33Å; V400-M402 VanDerWaalsContact C-N 3.3Å; V400-M402 PolarHBondContact O-N 3.39Å; V400-V403 PolarHBondContact O-N 3.32Å; V400-L404 HydrophobicContact CG1-CD1 3.89Å; V400-L404 HydrophobicContact CG1-CG 4.43Å; V400-L404 WeakPolarHBondContact O-CG 3.1Å; V400-L404 PolarHBondContact O-N 3.41Å |
| 401 | R | 98 | Very high | 97.2 | Very high | 36 Ų | 36 | 45.9 Ų | 45.9 | 14% | 0.136 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.1 | -41.1 | 174.3 | -68 | -175.3 | -175.5 | 95 | -2.9 | 112.3 | M330 I359 Q397 R399 L404 A405 | M330-R401 HydrophobicContact CB-CG 3.81Å; M330-R401 HydrophobicContact CG-CG 4.49Å; M330-R401 PolarHBondContact O-NE 2.89Å; M330-R401 VanDerWaalsContact SD-CA 3.57Å; M330-R401 HydrophobicContact SD-CB 3.61Å; M330-R401 HydrophobicContact SD-CG 3.88Å; M330-R401 VanDerWaalsContact SD-O 3.33Å; I359-R401 HydrophobicContact CD1-CG 3.96Å; I359-R401 HydrophobicContact CG2-CG 4.23Å; Q397-R401 WeakPolarHBondContact O-CG 3.33Å; Q397-R401 PolarHBondContact O-N 3Å; R399-R401 VanDerWaalsContact C-N 3.26Å; R399-R401 PolarHBondContact O-N 3.45Å; R401-L404 PolarHBondContact O-N 3.46Å; R401-A405 WeakPolarHBondContact O-CB 3.46Å; R401-A405 PolarHBondContact O-N 3.23Å |
| 402 | M | 98.3 | Very high | 97.3 | Very high | 41 Ų | 41 | 41.9 Ų | 41.9 | 20% | 0.202 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.4 | -46.7 | 175.5 | -179.5 | -79.7 | -70.1 | 0 | 0 | 111.8 | A398 R399 V400 L404 A405 Y406 Y441 | A398-M402 PolarHBondContact O-N 2.87Å; R399-M402 WeakPolarHBondContact O-CB 3.27Å; R399-M402 PolarHBondContact O-N 3.27Å; R399-M402 VanDerWaalsContact O-N 3.13Å; V400-M402 VanDerWaalsContact C-N 3.3Å; V400-M402 PolarHBondContact O-N 3.39Å; M402-L404 VanDerWaalsContact C-N 3.29Å; M402-L404 PolarHBondContact O-N 2.89Å; M402-A405 WeakPolarHBondContact O-CB 3.42Å; M402-A405 PolarHBondContact O-N 3.06Å; M402-Y406 HydrophobicContact CG-CD2 4.14Å; M402-Y406 HydrophobicContact CG-CE2 4.26Å; M402-Y406 WeakPolarHBondContact O-CD2 3.4Å; M402-Y406 PolarHBondContact O-N 3.28Å; M402-Y406 VanDerWaalsContact O-N 3.09Å; M402-Y406 HydrophobicContact SD-CD2 3.7Å; M402-Y406 HydrophobicContact SD-CE2 4.11Å; M402-Y441 WeakPolarHBondContact CE-O 3.31Å |
| 403 | V | 98.5 | Very high | 97.2 | Very high | 90 Ų | 90 | 39.8 Ų | 39.8 | 55% | 0.545 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -57.9 | -44.7 | 177.6 | 173.6 | 0 | 0 | 0 | 0 | 111 | R399 V400 L407 | R399-V403 PolarHBondContact O-N 3.4Å; V400-V403 PolarHBondContact O-N 3.32Å; V403-L407 PolarHBondContact O-N 2.89Å |
| 404 | L | 98.3 | Very high | 97.2 | Very high | 33 Ų | 33 | 48.1 Ų | 48.1 | 17% | 0.173 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -67.4 | -41.3 | 177.6 | -67.6 | 170.3 | 0 | 0 | 0 | 111.7 | M330 I357 I359 V400 R401 M402 Y406 L407 F408 | M330-L404 HydrophobicContact SD-CB 4.16Å; I357-L404 HydrophobicContact CD1-CB 4.02Å; I357-L404 HydrophobicContact CD1-CD1 3.82Å; I357-L404 HydrophobicContact CD1-CG 4.4Å; I359-L404 HydrophobicContact CB-CD1 4.41Å; I359-L404 HydrophobicContact CG2-CD1 3.69Å; V400-L404 HydrophobicContact CG1-CD1 3.89Å; V400-L404 HydrophobicContact CG1-CG 4.43Å; V400-L404 WeakPolarHBondContact O-CG 3.1Å; V400-L404 PolarHBondContact O-N 3.41Å; R401-L404 PolarHBondContact O-N 3.46Å; M402-L404 VanDerWaalsContact C-N 3.29Å; M402-L404 PolarHBondContact O-N 2.89Å; L404-Y406 VanDerWaalsContact C-N 3.3Å; L404-Y406 PolarHBondContact O-N 2.92Å; L404-L407 HydrophobicContact CD2-CD2 4.48Å; L404-L407 PolarHBondContact O-N 2.91Å; L404-F408 WeakPolarHBondContact O-CD2 2.98Å; L404-F408 PolarHBondContact O-N 3.19Å |
| 405 | A | 98.4 | Very high | 97.3 | Very high | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.008 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -53.1 | -49.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | L265 P267 M330 R401 M402 F408 A409 V424 | L265-A405 HydrophobicContact CD2-CB 3.93Å; P267-A405 HydrophobicContact CG-CB 3.84Å; M330-A405 HydrophobicContact CE-CB 3.88Å; R401-A405 WeakPolarHBondContact O-CB 3.46Å; R401-A405 PolarHBondContact O-N 3.23Å; M402-A405 WeakPolarHBondContact O-CB 3.42Å; M402-A405 PolarHBondContact O-N 3.06Å; A405-F408 PolarHBondContact O-N 3.47Å; A405-A409 VanDerWaalsContact O-CB 3.27Å; A405-A409 WeakPolarHBondContact O-CB 3.42Å; A405-A409 PolarHBondContact O-N 3.17Å; A405-V424 HydrophobicContact CB-CG1 4.29Å |
| 406 | Y | 98.7 | Very high | 97 | Very high | 56 Ų | 56 | 52.9 Ų | 52.9 | 22% | 0.22 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -69 | -37.2 | 179.2 | -86.7 | -80.5 | 0 | 0 | 0 | 113.3 | M402 L404 A409 Q410 V424 A446 D447 | M402-Y406 HydrophobicContact CG-CD2 4.14Å; M402-Y406 HydrophobicContact CG-CE2 4.26Å; M402-Y406 WeakPolarHBondContact O-CD2 3.4Å; M402-Y406 PolarHBondContact O-N 3.28Å; M402-Y406 VanDerWaalsContact O-N 3.09Å; M402-Y406 HydrophobicContact SD-CD2 3.7Å; M402-Y406 HydrophobicContact SD-CE2 4.11Å; L404-Y406 VanDerWaalsContact C-N 3.3Å; L404-Y406 PolarHBondContact O-N 2.92Å; Y406-A409 PolarHBondContact O-N 3.44Å; Y406-Q410 WeakPolarHBondContact O-CG 3.37Å; Y406-Q410 PolarHBondContact O-N 2.58Å; Y406-V424 HydrophobicContact CD1-CG2 3.81Å; Y406-V424 HydrophobicContact CD2-CG2 4.3Å; Y406-V424 HydrophobicContact CE1-CB 4.29Å; Y406-V424 HydrophobicContact CE1-CG2 3.73Å; Y406-V424 HydrophobicContact CE2-CB 4.43Å; Y406-V424 HydrophobicContact CE2-CG1 4.44Å; Y406-V424 HydrophobicContact CE2-CG2 4.24Å; Y406-V424 HydrophobicContact CG-CG2 4.1Å; Y406-A446 VanDerWaalsContact OH-CA 3.3Å; Y406-A446 WeakPolarHBondContact OH-CA 3.31Å; Y406-D447 VanDerWaalsContact CE1-OD1 3.28Å; Y406-D447 WeakPolarHBondContact CE1-OD1 3.49Å; Y406-D447 PolarHBondContact OH-N 3.19Å; Y406-D447 PolarHBondContact OH-OD1 2.85Å |
| 407 | L | 98.4 | Very high | 96.7 | Very high | 82 Ų | 82 | 54.9 Ų | 54.9 | 43% | 0.429 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -60.2 | -49 | 174.7 | 179.8 | 64 | 0 | 0 | 0 | 111.2 | V403 L404 A409 Q410 L411 | V403-L407 PolarHBondContact O-N 2.89Å; L404-L407 HydrophobicContact CD2-CD2 4.48Å; L404-L407 PolarHBondContact O-N 2.91Å; L407-A409 VanDerWaalsContact C-N 3.31Å; L407-A409 PolarHBondContact O-N 3.09Å; L407-Q410 PolarHBondContact O-N 2.99Å; L407-L411 HydrophobicContact CD1-CD1 3.69Å; L407-L411 HydrophobicContact CD1-CG 4.45Å; L407-L411 WeakPolarHBondContact O-CB 3.13Å; L407-L411 PolarHBondContact O-N 3.19Å |
| 408 | F | 98.1 | Very high | 96.3 | Very high | 58 Ų | 58 | 57.5 Ų | 57.5 | 25% | 0.254 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -65.9 | -35.8 | 176.1 | -84.1 | -93.5 | 0 | 0 | 0 | 111.3 | L265 V355 I357 L404 A405 Q410 L411 S412 | L265-F408 HydrophobicContact CD1-CB 3.43Å; L265-F408 VanDerWaalsContact CD1-CB 3.43Å; V355-F408 HydrophobicContact CG1-CE1 3.89Å; V355-F408 HydrophobicContact CG1-CZ 4.32Å; I357-F408 HydrophobicContact CD1-CD2 4.48Å; I357-F408 HydrophobicContact CD1-CE2 3.92Å; I357-F408 HydrophobicContact CG2-CE2 4.18Å; I357-F408 HydrophobicContact CG2-CZ 3.83Å; L404-F408 WeakPolarHBondContact O-CD2 2.98Å; L404-F408 PolarHBondContact O-N 3.19Å; A405-F408 PolarHBondContact O-N 3.47Å; F408-Q410 VanDerWaalsContact C-N 3.28Å; F408-Q410 PolarHBondContact O-N 3.15Å; F408-L411 PolarHBondContact O-N 3.13Å; F408-S412 WeakPolarHBondContact CD1-OG 3.32Å; F408-S412 WeakPolarHBondContact O-CA 3.34Å; F408-S412 WeakPolarHBondContact O-CB 3.39Å; F408-S412 PolarHBondContact O-N 2.92Å; F408-S412 PolarHBondContact O-OG 3.32Å |
| 409 | A | 98.4 | Very high | 95.9 | Very high | 2 Ų | 2 | 62.5 Ų | 62.5 | 2% | 0.017 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -64.4 | -37.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L265 A405 Y406 L407 L422 V424 | L265-A409 HydrophobicContact CB-CB 4.06Å; L265-A409 HydrophobicContact CD1-CB 4.12Å; A405-A409 VanDerWaalsContact O-CB 3.27Å; A405-A409 WeakPolarHBondContact O-CB 3.42Å; A405-A409 PolarHBondContact O-N 3.17Å; Y406-A409 PolarHBondContact O-N 3.44Å; L407-A409 VanDerWaalsContact C-N 3.31Å; L407-A409 PolarHBondContact O-N 3.09Å; A409-L422 HydrophobicContact CB-CB 4.18Å; A409-L422 PolarHBondContact O-N 2.7Å; A409-V424 HydrophobicContact CB-CG2 3.47Å; A409-V424 VanDerWaalsContact CB-CG2 3.47Å |
| 410 | Q | 98.3 | Very high | 95.4 | Very high | 130 Ų | 130 | 60.2 Ų | 60.2 | 61% | 0.607 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -77 | -34.5 | 177.9 | -69.9 | 174.8 | 4.4 | 0 | 0 | 113.2 | Y406 L407 F408 | Y406-Q410 WeakPolarHBondContact O-CG 3.37Å; Y406-Q410 PolarHBondContact O-N 2.58Å; L407-Q410 PolarHBondContact O-N 2.99Å; F408-Q410 VanDerWaalsContact C-N 3.28Å; F408-Q410 PolarHBondContact O-N 3.15Å |
| 411 | L | 97.8 | Very high | 95.4 | Very high | 77 Ų | 77 | 60.4 Ų | 60.4 | 40% | 0.403 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -114.2 | -10.9 | -168.7 | -63.8 | -178.3 | 0 | 0 | 0 | 115.7 | L407 F408 L413 W414 A415 | L407-L411 HydrophobicContact CD1-CD1 3.69Å; L407-L411 HydrophobicContact CD1-CG 4.45Å; L407-L411 WeakPolarHBondContact O-CB 3.13Å; L407-L411 PolarHBondContact O-N 3.19Å; F408-L411 PolarHBondContact O-N 3.13Å; L411-L413 VanDerWaalsContact C-N 3.34Å; L411-L413 PolarHBondContact O-N 3Å; L411-W414 HydrophobicContact CB-CE3 4.17Å; L411-W414 HydrophobicContact CD2-CD2 4.4Å; L411-W414 HydrophobicContact CD2-CE3 4.23Å; L411-W414 WeakPolarHBondContact O-CB 3.37Å; L411-W414 PolarHBondContact O-N 3.27Å; L411-A415 WeakPolarHBondContact O-CB 3.41Å; L411-A415 PolarHBondContact O-N 3.38Å |
| 412 | S | 95.2 | Very high | 95.4 | Very high | 13 Ų | 13 | 59.1 Ų | 59.1 | 9% | 0.091 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -66.6 | -34.3 | -176.8 | -64.6 | 0 | 0 | 0 | 0 | 113.1 | F408 R416 | F408-S412 WeakPolarHBondContact CD1-OG 3.32Å; F408-S412 WeakPolarHBondContact O-CA 3.34Å; F408-S412 WeakPolarHBondContact O-CB 3.39Å; F408-S412 PolarHBondContact O-N 2.92Å; F408-S412 PolarHBondContact O-OG 3.32Å; S412-R416 WeakPolarHBondContact O-CG 3.38Å; S412-R416 PolarHBondContact O-N 3.21Å; S412-R416 PolarHBondContact O-NE 3.14Å |
| 413 | L | 93.8 | Very high | 95.4 | Very high | 1 Ų | 1 | 58.2 Ų | 58.2 | 1% | 0.005 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -72.8 | -43.4 | 174.2 | -71 | 177.8 | 0 | 0 | 0 | 111 | L411 A415 R416 G417 R418 L422 | L411-L413 VanDerWaalsContact C-N 3.34Å; L411-L413 PolarHBondContact O-N 3Å; L413-A415 VanDerWaalsContact C-N 3.33Å; L413-A415 PolarHBondContact O-N 3.19Å; L413-R416 CarbonylContact O-C 3.58Å; L413-R416 WeakPolarHBondContact O-CA 3.2Å; L413-R416 PolarHBondContact O-N 2.83Å; L413-G417 PolarHBondContact O-N 3.29Å; L413-R418 CarbonylContact C-O 3.57Å; L413-R418 VanDerWaalsContact C-O 3.23Å; L413-R418 HydrophobicContact CB-CB 4.18Å; L413-R418 HydrophobicContact CD2-CB 4.18Å; L413-R418 PolarHBondContact O-N 2.76Å; L413-L422 HydrophobicContact CD1-CD2 3.65Å; L413-L422 HydrophobicContact CD1-CG 4.14Å; L413-L422 HydrophobicContact CD2-CD2 4.23Å; L413-L422 HydrophobicContact CG-CD2 3.84Å; L413-L422 HydrophobicContact CG-CG 4.12Å |
| 414 | W | 96 | Very high | 95.4 | Very high | 182 Ų | 182 | 54 Ų | 54 | 69% | 0.689 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -54.6 | -46.5 | 173.4 | 165.5 | 82.1 | 0 | 0 | 0 | 112.3 | L411 R416 G417 R418 | L411-W414 HydrophobicContact CB-CE3 4.17Å; L411-W414 HydrophobicContact CD2-CD2 4.4Å; L411-W414 HydrophobicContact CD2-CE3 4.23Å; L411-W414 WeakPolarHBondContact O-CB 3.37Å; L411-W414 PolarHBondContact O-N 3.27Å; W414-R416 PolarHBondContact O-N 3.28Å; W414-R416 VanDerWaalsContact O-N 3.16Å; W414-G417 PolarHBondContact O-N 3.24Å; W414-R418 PolarHBondContact N-O 3.29Å |
| 415 | A | 94.6 | Very high | 95.5 | Very high | 74 Ų | 74 | 52.5 Ų | 52.5 | 61% | 0.612 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -63.1 | -21.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113 | L411 L413 | L411-A415 WeakPolarHBondContact O-CB 3.41Å; L411-A415 PolarHBondContact O-N 3.38Å; L413-A415 VanDerWaalsContact C-N 3.33Å; L413-A415 PolarHBondContact O-N 3.19Å |
| 416 | R | 90.5 | Very high | 95.5 | Very high | 88 Ų | 88 | 52.5 Ų | 52.5 | 33% | 0.332 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | 8.1 | 174.6 | -67.7 | 179.4 | -74.5 | -176 | -7.4 | 112.9 | T326 T353 S412 L413 W414 R418 | T326-R416 PolarHBondContact OG1-NH2 3.43Å; T326-R416 VanDerWaalsContact OG1-NH2 3.07Å; T353-R416 PolarHBondContact OG1-NH1 3.02Å; S412-R416 WeakPolarHBondContact O-CG 3.38Å; S412-R416 PolarHBondContact O-N 3.21Å; S412-R416 PolarHBondContact O-NE 3.14Å; L413-R416 CarbonylContact O-C 3.58Å; L413-R416 WeakPolarHBondContact O-CA 3.2Å; L413-R416 PolarHBondContact O-N 2.83Å; W414-R416 PolarHBondContact O-N 3.28Å; W414-R416 VanDerWaalsContact O-N 3.16Å; R416-R418 VanDerWaalsContact C-N 3.27Å; R416-R418 PolarHBondContact O-N 3.07Å |
| 417 | G | 90.2 | Very high | 95.4 | Very high | 72 Ų | 72 | 50.9 Ų | 50.9 | 74% | 0.742 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.3 | 20.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | L413 W414 | L413-G417 PolarHBondContact O-N 3.29Å; W414-G417 PolarHBondContact O-N 3.24Å |
| 418 | R | 88.6 | Confident | 95.3 | Very high | 59 Ų | 59 | 47.2 Ų | 47.2 | 22% | 0.223 | 27% | 0.272 | C | S | . | . | trans | -105.5 | 141.5 | 179.5 | -69.9 | -179.3 | 66.7 | -151.7 | -8.6 | 111.2 | V307 R323 L413 W414 R416 | V307-R418 PolarHBondContact O-NE 2.94Å; V307-R418 PolarHBondContact O-NH2 2.78Å; R323-R418 PolarHBondContact O-NH1 2.9Å; L413-R418 CarbonylContact C-O 3.57Å; L413-R418 VanDerWaalsContact C-O 3.23Å; L413-R418 HydrophobicContact CB-CB 4.18Å; L413-R418 HydrophobicContact CD2-CB 4.18Å; L413-R418 PolarHBondContact O-N 2.76Å; W414-R418 PolarHBondContact N-O 3.29Å; R416-R418 VanDerWaalsContact C-N 3.27Å; R416-R418 PolarHBondContact O-N 3.07Å | ||
| 419 | P | 87.1 | Confident | 95.3 | Very high | 112 Ų | 112 | 44.4 Ų | 44.4 | 73% | 0.727 | 26% | 0.26 | S | S | * | . | trans | -73.1 | 162.8 | 174.4 | 32.3 | -35.4 | 0 | 0 | 0 | 111.7 | ||||
| 420 | G | 89.4 | Confident | 95.2 | Very high | 48 Ų | 48 | 44.3 Ų | 44.3 | 50% | 0.495 | 26% | 0.259 | S | S | . | . | S | Bend | trans | 89.8 | 175.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 421 | G | 96.3 | Very high | 95.1 | Very high | 14 Ų | 14 | 38.1 Ų | 38.1 | 14% | 0.144 | 23% | 0.231 | C | C | . | . | trans | -118.2 | 178.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q261 G262 | Q261-G421 PolarHBondContact OE1-O 3.2Å; G262-G421 PolarHBondContact N-O 3.26Å | ||
| 422 | L | 98.6 | Very high | 95 | Very high | 9 Ų | 9 | 35.6 Ų | 35.6 | 5% | 0.047 | 22% | 0.216 | C | C | . | . | trans | -110.1 | 141.3 | 175.5 | -56.4 | 173.5 | 0 | 0 | 0 | 110 | G263 L265 A409 L413 | G263-L422 WeakPolarHBondContact O-CA 3.32Å; L265-L422 HydrophobicContact CB-CB 4.02Å; L265-L422 HydrophobicContact CB-CD1 4.03Å; L265-L422 HydrophobicContact CD1-CD1 4.45Å; A409-L422 HydrophobicContact CB-CB 4.18Å; A409-L422 PolarHBondContact O-N 2.7Å; L413-L422 HydrophobicContact CD1-CD2 3.65Å; L413-L422 HydrophobicContact CD1-CG 4.14Å; L413-L422 HydrophobicContact CD2-CD2 4.23Å; L413-L422 HydrophobicContact CG-CD2 3.84Å; L413-L422 HydrophobicContact CG-CG 4.12Å | ||
| 423 | L | 98.8 | Very high | 95 | Very high | 21 Ų | 21 | 35.1 Ų | 35.1 | 11% | 0.11 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 125.9 | 167.1 | -68.9 | 171.8 | 0 | 0 | 0 | 109.4 | Q261 G263 F264 L265 L425 D447 I448 | Q261-L423 HydrophobicContact CB-CD1 4.41Å; Q261-L423 HydrophobicContact CB-CG 3.97Å; Q261-L423 HydrophobicContact CG-CD1 4.37Å; Q261-L423 HydrophobicContact CG-CD2 3.76Å; Q261-L423 HydrophobicContact CG-CG 3.74Å; G263-L423 PolarHBondContact O-N 3.06Å; F264-L423 CarbonylContact C-O 3.57Å; F264-L423 WeakPolarHBondContact CA-O 3.36Å; F264-L423 HydrophobicContact CD1-CB 3.77Å; F264-L423 HydrophobicContact CD1-CD1 4.36Å; F264-L423 HydrophobicContact CE1-CB 4.07Å; F264-L423 HydrophobicContact CE1-CD1 3.82Å; L265-L423 PolarHBondContact N-O 3.25Å; L423-L425 PolarHBondContact O-N 3.1Å; L423-D447 WeakPolarHBondContact CA-OD2 3.36Å; L423-D447 HydrophobicContact CD2-CB 4.22Å; L423-I448 HydrophobicContact CD1-CD1 4.29Å |
| 424 | V | 98.9 | Very high | 95.2 | Very high | 3 Ų | 3 | 35.2 Ų | 35.2 | 2% | 0.018 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 124.5 | 173.4 | -174.4 | 0 | 0 | 0 | 0 | 109 | L265 A405 Y406 A409 A446 D447 I448 | L265-V424 HydrophobicContact CD2-CG1 4.41Å; L265-V424 CarbonylContact O-C 3.57Å; L265-V424 WeakPolarHBondContact O-CA 3.46Å; A405-V424 HydrophobicContact CB-CG1 4.29Å; Y406-V424 HydrophobicContact CD1-CG2 3.81Å; Y406-V424 HydrophobicContact CD2-CG2 4.3Å; Y406-V424 HydrophobicContact CE1-CB 4.29Å; Y406-V424 HydrophobicContact CE1-CG2 3.73Å; Y406-V424 HydrophobicContact CE2-CB 4.43Å; Y406-V424 HydrophobicContact CE2-CG1 4.44Å; Y406-V424 HydrophobicContact CE2-CG2 4.24Å; Y406-V424 HydrophobicContact CG-CG2 4.1Å; A409-V424 HydrophobicContact CB-CG2 3.47Å; A409-V424 VanDerWaalsContact CB-CG2 3.47Å; V424-A446 HydrophobicContact CB-CB 4.28Å; V424-A446 HydrophobicContact CG1-CB 3.84Å; V424-A446 WeakPolarHBondContact O-CB 3.44Å; V424-D447 PolarHBondContact N-OD2 3.46Å; V424-D447 PolarHBondContact O-N 3.05Å; V424-I448 PolarHBondContact O-N 3.38Å |
| 425 | L | 98.9 | Very high | 95.1 | Very high | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | B | Isolated β-bridge | trans | -93.8 | 129.3 | 175.5 | -61.7 | -176.3 | 0 | 0 | 0 | 110.8 | L252 F264 L265 L266 T277 V281 F325 L423 I448 | L252-L425 HydrophobicContact CD2-CD2 3.95Å; F264-L425 HydrophobicContact CB-CD1 3.86Å; F264-L425 HydrophobicContact CB-CG 4.1Å; F264-L425 HydrophobicContact CD1-CD1 3.99Å; F264-L425 HydrophobicContact CD1-CD2 3.56Å; F264-L425 HydrophobicContact CD1-CG 3.84Å; F264-L425 HydrophobicContact CE1-CD2 3.91Å; F264-L425 HydrophobicContact CG-CD1 3.93Å; F264-L425 HydrophobicContact CG-CD2 4.34Å; F264-L425 HydrophobicContact CG-CG 4.2Å; L265-L425 PolarHBondContact O-N 3.06Å; L266-L425 HydrophobicContact CB-CB 4.46Å; L266-L425 HydrophobicContact CD1-CB 4.03Å; T277-L425 HydrophobicContact CG2-CB 4.03Å; T277-L425 HydrophobicContact CG2-CD1 3.95Å; V281-L425 HydrophobicContact CG2-CD1 3.64Å; F325-L425 HydrophobicContact CE2-CD1 4.23Å; L423-L425 PolarHBondContact O-N 3.1Å; L425-I448 WeakPolarHBondContact CA-O 3.25Å; L425-I448 HydrophobicContact CD2-CD1 4.04Å; L425-I448 HydrophobicContact CD2-CG1 3.67Å |
| 426 | G | 98.3 | Very high | 95.1 | Very high | 1 Ų | 1 | 23.8 Ų | 23.8 | 1% | 0.01 | 16% | 0.157 | C | C | . | . | P | Polyproline II helix | trans | -88.1 | 160.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112 | A446 I448 N449 | G426-A446 VanDerWaalsContact N-CB 3.29Å; G426-I448 PolarHBondContact N-O 2.93Å; G426-N449 PolarHBondContact O-OD1 2.97Å |
| 427 | S | 97.9 | Very high | 95.2 | Very high | 22 Ų | 22 | 22.6 Ų | 22.6 | 15% | 0.154 | 15% | 0.153 | C | C | . | . | trans | -138.2 | 28.6 | -179.8 | -57.4 | 0 | 0 | 0 | 0 | 113.5 | L266 D273 S274 T277 | L266-S427 WeakPolarHBondContact CD1-OG 3.3Å; D273-S427 WeakPolarHBondContact CB-O 3.41Å; S274-S427 WeakPolarHBondContact CA-OG 3.49Å; T277-S427 PolarHBondContact OG1-OG 3.37Å | ||
| 428 | A | 96.6 | Very high | 95.4 | Very high | 4 Ų | 4 | 20.3 Ų | 20.3 | 3% | 0.033 | 12% | 0.123 | C | C | . | . | trans | -73.5 | 136 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | N449 G452 | A428-N449 PolarHBondContact N-ND2 3.31Å; A428-N449 PolarHBondContact O-ND2 3.17Å; A428-G452 WeakPolarHBondContact O-CA 3.44Å; A428-G452 PolarHBondContact O-N 3.28Å | ||
| 429 | N | 97.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 12% | 0.117 | C | C | . | . | trans | -90.4 | 172.4 | 173.5 | 64.7 | 69.2 | 0 | 0 | 0 | 112 | D273 D431 E432 S433 K456 L459 | D273-N429 PolarHBondContact OD2-ND2 3.44Å; N429-D431 VanDerWaalsContact C-N 3.34Å; N429-D431 PolarHBondContact O-N 3.39Å; N429-D431 PolarHBondContact OD1-N 3.06Å; N429-D431 VanDerWaalsContact OD1-N 3.08Å; N429-E432 PolarHBondContact ND2-OE1 2.93Å; N429-E432 PolarHBondContact ND2-OE2 2.97Å; N429-E432 PolarHBondContact OD1-N 3.47Å; N429-S433 VanDerWaalsContact O-CB 3.31Å; N429-S433 WeakPolarHBondContact O-CB 3.26Å; N429-S433 PolarHBondContact O-N 3.37Å; N429-S433 VanDerWaalsContact O-N 3.08Å; N429-S433 PolarHBondContact O-OG 3.13Å; N429-K456 VanDerWaalsContact ND2-CD 3.27Å; N429-K456 WeakPolarHBondContact ND2-CD 3.3Å; N429-K456 PolarHBondContact ND2-NZ 2.88Å; N429-L459 HydrophobicContact CB-CD1 3.72Å | ||
| 430 | V | 97.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -67.8 | -32.1 | -175 | 76.9 | 0 | 0 | 0 | 0 | 113 | L434 I454 Y574 P576 | V430-L434 WeakPolarHBondContact O-CB 3.42Å; V430-L434 PolarHBondContact O-N 2.97Å; V430-I454 VanDerWaalsContact CG1-C 3.46Å; V430-I454 VanDerWaalsContact CG1-O 3.28Å; V430-I454 WeakPolarHBondContact CG1-O 3.25Å; V430-I454 PolarHBondContact N-O 2.93Å; V430-Y574 HydrophobicContact CG1-CE2 3.8Å; V430-Y574 HydrophobicContact CG2-CE2 4.32Å; V430-P576 VanDerWaalsContact CG2-CD 3.48Å; V430-P576 HydrophobicContact CG2-CG 4.48Å |
| 431 | D | 96.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -75.3 | -44.7 | -175.4 | -60.3 | -62 | 0 | 0 | 0 | 110.9 | N429 S433 L434 T435 S455 K456 Y507 L510 S511 | N429-D431 VanDerWaalsContact C-N 3.34Å; N429-D431 PolarHBondContact O-N 3.39Å; N429-D431 PolarHBondContact OD1-N 3.06Å; N429-D431 VanDerWaalsContact OD1-N 3.08Å; D431-S433 VanDerWaalsContact C-N 3.33Å; D431-L434 WeakPolarHBondContact O-CB 3.1Å; D431-L434 PolarHBondContact O-N 3.04Å; D431-T435 PolarHBondContact O-N 3.36Å; D431-T435 VanDerWaalsContact O-N 3.16Å; D431-T435 PolarHBondContact O-OG1 3Å; D431-S455 WeakPolarHBondContact OD2-CA 3.48Å; D431-K456 PolarHBondContact OD2-N 3.22Å; D431-Y507 HydrophobicContact CB-CD1 3.98Å; D431-Y507 HydrophobicContact CB-CE1 4.36Å; D431-L510 HydrophobicContact CB-CB 4.33Å; D431-L510 HydrophobicContact CB-CD1 4.39Å; D431-S511 PolarHBondContact OD1-OG 2.83Å |
| 432 | E | 94.4 | Very high | 96.7 | Very high | 23 Ų | 23 | 18.5 Ų | 18.5 | 11% | 0.107 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -64 | -39.4 | 172.2 | -71.2 | 168.9 | -158.5 | 0 | 0 | 111.5 | N429 L434 T435 G436 Y437 K456 Y507 | N429-E432 PolarHBondContact ND2-OE1 2.93Å; N429-E432 PolarHBondContact ND2-OE2 2.97Å; N429-E432 PolarHBondContact OD1-N 3.47Å; E432-L434 VanDerWaalsContact C-N 3.27Å; E432-L434 PolarHBondContact O-N 3.13Å; E432-T435 PolarHBondContact O-N 2.97Å; E432-T435 PolarHBondContact O-OG1 3.49Å; E432-G436 CarbonylContact O-C 3.6Å; E432-G436 WeakPolarHBondContact O-CA 3.3Å; E432-G436 PolarHBondContact O-N 3.07Å; E432-Y437 HydrophobicContact CG-CD1 4.3Å; E432-Y437 PolarHBondContact O-N 2.85Å; E432-K456 IonicContact OE1-NZ 3.09Å; E432-K456 PolarHBondContact OE1-NZ 3.23Å; E432-Y507 HydrophobicContact CG-CE1 4.12Å; E432-Y507 PolarHBondContact OE1-OH 3.37Å |
| 433 | S | 96.6 | Very high | 96.7 | Very high | 4 Ų | 4 | 19.7 Ų | 19.7 | 3% | 0.028 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -61.9 | -38.2 | 174.4 | -62.6 | 0 | 0 | 0 | 0 | 111.3 | N429 D431 G436 | N429-S433 VanDerWaalsContact O-CB 3.31Å; N429-S433 WeakPolarHBondContact O-CB 3.26Å; N429-S433 PolarHBondContact O-N 3.37Å; N429-S433 VanDerWaalsContact O-N 3.08Å; N429-S433 PolarHBondContact O-OG 3.13Å; D431-S433 VanDerWaalsContact C-N 3.33Å; S433-G436 PolarHBondContact O-N 3.49Å |
| 434 | L | 96.5 | Very high | 96.4 | Very high | 3 Ų | 3 | 19.1 Ų | 19.1 | 2% | 0.016 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -66.5 | -43.5 | 179.8 | 174.7 | 64.3 | 0 | 0 | 0 | 112.1 | V430 D431 E432 G436 F551 Y555 P576 | V430-L434 WeakPolarHBondContact O-CB 3.42Å; V430-L434 PolarHBondContact O-N 2.97Å; D431-L434 WeakPolarHBondContact O-CB 3.1Å; D431-L434 PolarHBondContact O-N 3.04Å; E432-L434 VanDerWaalsContact C-N 3.27Å; E432-L434 PolarHBondContact O-N 3.13Å; L434-G436 VanDerWaalsContact C-N 3.3Å; L434-F551 HydrophobicContact CD1-CZ 4.28Å; L434-F551 HydrophobicContact CD2-CE2 4.07Å; L434-F551 HydrophobicContact CD2-CZ 4.13Å; L434-F551 HydrophobicContact CG-CE2 4.08Å; L434-F551 HydrophobicContact CG-CZ 4.15Å; L434-Y555 HydrophobicContact CD1-CD2 4.15Å; L434-Y555 HydrophobicContact CD1-CE2 4.32Å; L434-Y555 WeakPolarHBondContact O-CD2 3.41Å; L434-P576 HydrophobicContact CB-CB 4.34Å; L434-P576 HydrophobicContact CB-CG 4.14Å; L434-P576 HydrophobicContact CD1-CB 4.03Å |
| 435 | T | 93.9 | Very high | 96.1 | Very high | 14 Ų | 14 | 19.8 Ų | 19.8 | 9% | 0.086 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -80 | -16.5 | 177.5 | 58.7 | 0 | 0 | 0 | 0 | 112.5 | D431 E432 Y437 L510 N558 | D431-T435 PolarHBondContact O-N 3.36Å; D431-T435 VanDerWaalsContact O-N 3.16Å; D431-T435 PolarHBondContact O-OG1 3Å; E432-T435 PolarHBondContact O-N 2.97Å; E432-T435 PolarHBondContact O-OG1 3.49Å; T435-Y437 VanDerWaalsContact C-N 3.28Å; T435-Y437 VanDerWaalsContact OG1-CB 3.31Å; T435-Y437 WeakPolarHBondContact OG1-CB 3.42Å; T435-Y437 PolarHBondContact OG1-N 3.08Å; T435-L510 HydrophobicContact CG2-CD1 3.85Å; T435-L510 HydrophobicContact CG2-CD2 3.48Å; T435-L510 VanDerWaalsContact CG2-CD2 3.48Å; T435-L510 HydrophobicContact CG2-CG 4.32Å; T435-N558 WeakPolarHBondContact O-CB 3.28Å; T435-N558 PolarHBondContact O-ND2 2.99Å |
| 436 | G | 94.5 | Very high | 96.1 | Very high | 2 Ų | 2 | 20.3 Ų | 20.3 | 2% | 0.021 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.6 | 31.7 | -171.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | E432 S433 L434 F438 K561 | E432-G436 CarbonylContact O-C 3.6Å; E432-G436 WeakPolarHBondContact O-CA 3.3Å; E432-G436 PolarHBondContact O-N 3.07Å; S433-G436 PolarHBondContact O-N 3.49Å; L434-G436 VanDerWaalsContact C-N 3.3Å; G436-F438 PolarHBondContact O-N 2.96Å; G436-K561 WeakPolarHBondContact O-CD 3.43Å; G436-K561 PolarHBondContact O-NZ 3.24Å |
| 437 | Y | 94.3 | Very high | 96.1 | Very high | 63 Ų | 63 | 23 Ų | 23 | 25% | 0.247 | 12% | 0.117 | C | C | . | . | trans | -80 | 67.3 | 176.9 | -174.8 | -105.6 | 0 | 0 | 0 | 110.7 | E432 T435 D499 D502 M503 | E432-Y437 HydrophobicContact CG-CD1 4.3Å; E432-Y437 PolarHBondContact O-N 2.85Å; T435-Y437 VanDerWaalsContact C-N 3.28Å; T435-Y437 VanDerWaalsContact OG1-CB 3.31Å; T435-Y437 WeakPolarHBondContact OG1-CB 3.42Å; T435-Y437 PolarHBondContact OG1-N 3.08Å; Y437-D499 HydrophobicContact CE1-CB 4.08Å; Y437-D502 HydrophobicContact CE2-CB 4.08Å; Y437-D502 VanDerWaalsContact CE2-OD2 3.29Å; Y437-D502 WeakPolarHBondContact CE2-OD2 3.4Å; Y437-D502 WeakPolarHBondContact OH-CB 3.41Å; Y437-D502 PolarHBondContact OH-OD2 3.35Å; Y437-M503 HydrophobicContact CD1-CG 3.72Å; Y437-M503 HydrophobicContact CD1-SD 3.73Å; Y437-M503 HydrophobicContact CD2-CG 3.45Å; Y437-M503 VanDerWaalsContact CD2-CG 3.45Å; Y437-M503 HydrophobicContact CD2-SD 4.36Å; Y437-M503 HydrophobicContact CE1-CG 4.07Å; Y437-M503 HydrophobicContact CE1-SD 4.44Å; Y437-M503 HydrophobicContact CE2-CG 3.82Å; Y437-M503 HydrophobicContact CG-CG 3.4Å; Y437-M503 VanDerWaalsContact CG-CG 3.4Å; Y437-M503 HydrophobicContact CG-SD 3.69Å | ||
| 438 | F | 94.1 | Very high | 96.1 | Very high | 24 Ų | 24 | 22.2 Ų | 22.2 | 11% | 0.105 | 11% | 0.112 | C | C | . | . | S | Bend | trans | -158 | 161.6 | 173.2 | 59.4 | -90.3 | 0 | 0 | 0 | 110 | G436 S444 K561 M562 V565 | G436-F438 PolarHBondContact O-N 2.96Å; F438-S444 WeakPolarHBondContact CD2-OG 3.45Å; F438-K561 HydrophobicContact CD2-CD 4.39Å; F438-K561 HydrophobicContact CE1-CB 4.31Å; F438-K561 HydrophobicContact CE2-CB 3.78Å; F438-K561 HydrophobicContact CE2-CD 4.15Å; F438-K561 HydrophobicContact CE2-CG 4.48Å; F438-K561 HydrophobicContact CZ-CB 3.5Å; F438-K561 HydrophobicContact CZ-CD 4.24Å; F438-K561 HydrophobicContact CZ-CG 4.5Å; F438-K561 WeakPolarHBondContact O-CE 3.43Å; F438-K561 PolarHBondContact O-NZ 3.36Å; F438-M562 HydrophobicContact CE1-SD 4.38Å; F438-M562 HydrophobicContact CZ-SD 4.43Å; F438-V565 HydrophobicContact CZ-CG2 4.31Å |
| 439 | T | 96.6 | Very high | 96.2 | Very high | 17 Ų | 17 | 22.1 Ų | 22.1 | 10% | 0.104 | 11% | 0.11 | C | C | . | . | trans | -82.4 | 128.1 | 177.6 | -59.4 | 0 | 0 | 0 | 0 | 109.8 | N395 A398 R399 Y441 D442 | N395-T439 HydrophobicContact CB-CG2 3.91Å; N395-T439 WeakPolarHBondContact OD1-CG2 3.47Å; N395-T439 PolarHBondContact OD1-OG1 3.28Å; A398-T439 HydrophobicContact CB-CG2 4.28Å; R399-T439 HydrophobicContact CG-CG2 4.38Å; T439-Y441 PolarHBondContact O-N 2.82Å; T439-Y441 VanDerWaalsContact O-N 3.12Å; T439-D442 WeakPolarHBondContact CA-OD2 3.41Å; T439-D442 WeakPolarHBondContact CB-OD2 3.38Å; T439-D442 HydrophobicContact CG2-CB 4.29Å; T439-D442 PolarHBondContact N-OD2 3.37Å; T439-D442 PolarHBondContact O-N 2.88Å; T439-D442 VanDerWaalsContact O-N 3.12Å | ||
| 440 | K | 97.8 | Very high | 96.3 | Very high | 46 Ų | 46 | 22.1 Ų | 22.1 | 20% | 0.2 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | 122.7 | 175.7 | -156.4 | -179.4 | -173.7 | -173.3 | 0 | 109.7 | R399 K561 T564 | R399-K440 PolarHBondContact NE-O 3.39Å; R399-K440 PolarHBondContact NH2-O 2.95Å; K440-K561 HydrophobicContact CB-CG 4.35Å; K440-K561 HydrophobicContact CD-CG 4.49Å; K440-K561 HydrophobicContact CG-CG 4.41Å; K440-T564 WeakPolarHBondContact CE-OG1 2.95Å |
| 441 | Y | 97.8 | Very high | 96.4 | Very high | 108 Ų | 108 | 22.1 Ų | 22.1 | 42% | 0.424 | 11% | 0.11 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.3 | 28.6 | -176.7 | -45.2 | -59.5 | 0 | 0 | 0 | 115.9 | M402 T439 S445 T564 | M402-Y441 WeakPolarHBondContact CE-O 3.31Å; T439-Y441 PolarHBondContact O-N 2.82Å; T439-Y441 VanDerWaalsContact O-N 3.12Å; Y441-S445 WeakPolarHBondContact CA-OG 3.38Å; Y441-T564 HydrophobicContact CE1-CG2 4.48Å |
| 442 | D | 96.9 | Very high | 96.5 | Very high | 24 Ų | 24 | 22.2 Ų | 22.2 | 13% | 0.128 | 11% | 0.111 | C | C | . | . | S | Bend | trans | -87.1 | -162.6 | 160.2 | 69.1 | 6.1 | 0 | 0 | 0 | 111.4 | A398 T439 S444 S445 | A398-D442 HydrophobicContact CB-CB 3.59Å; A398-D442 WeakPolarHBondContact O-CB 3.13Å; T439-D442 WeakPolarHBondContact CA-OD2 3.41Å; T439-D442 WeakPolarHBondContact CB-OD2 3.38Å; T439-D442 HydrophobicContact CG2-CB 4.29Å; T439-D442 PolarHBondContact N-OD2 3.37Å; T439-D442 PolarHBondContact O-N 2.88Å; T439-D442 VanDerWaalsContact O-N 3.12Å; D442-S444 PolarHBondContact O-N 2.94Å; D442-S444 WeakPolarHBondContact OD1-CA 3.4Å; D442-S444 WeakPolarHBondContact OD1-CB 3.37Å; D442-S444 PolarHBondContact OD1-N 3.34Å; D442-S444 PolarHBondContact OD1-OG 2.8Å; D442-S445 WeakPolarHBondContact O-CA 3.35Å; D442-S445 VanDerWaalsContact O-CB 3.31Å; D442-S445 WeakPolarHBondContact O-CB 3.35Å; D442-S445 PolarHBondContact O-N 2.97Å |
| 443 | C | 96.9 | Very high | 96.6 | Very high | 33 Ų | 33 | 21.1 Ų | 21.1 | 22% | 0.223 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -4.4 | 177.3 | -62.3 | 0 | 0 | 0 | 0 | 114.9 | P267 S445 | P267-C443 HydrophobicContact CB-CB 4.32Å; P267-C443 HydrophobicContact CG-CB 4.2Å; C443-S445 PolarHBondContact O-N 3.4Å |
| 444 | S | 93.1 | Very high | 96.7 | Very high | 9 Ų | 9 | 20.9 Ų | 20.9 | 6% | 0.063 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -20.3 | 163.3 | 67.8 | 0 | 0 | 0 | 0 | 112.3 | F438 D442 T566 | F438-S444 WeakPolarHBondContact CD2-OG 3.45Å; D442-S444 PolarHBondContact O-N 2.94Å; D442-S444 WeakPolarHBondContact OD1-CA 3.4Å; D442-S444 WeakPolarHBondContact OD1-CB 3.37Å; D442-S444 PolarHBondContact OD1-N 3.34Å; D442-S444 PolarHBondContact OD1-OG 2.8Å; S444-T566 PolarHBondContact O-OG1 3.05Å |
| 445 | S | 92.6 | Very high | 96.8 | Very high | 18 Ų | 18 | 21 Ų | 21 | 13% | 0.126 | 11% | 0.105 | C | C | . | . | S | Bend | trans | -97.7 | 101.5 | 173.5 | -53.4 | 0 | 0 | 0 | 0 | 109.1 | Y441 D442 C443 T566 | Y441-S445 WeakPolarHBondContact CA-OG 3.38Å; D442-S445 WeakPolarHBondContact O-CA 3.35Å; D442-S445 VanDerWaalsContact O-CB 3.31Å; D442-S445 WeakPolarHBondContact O-CB 3.35Å; D442-S445 PolarHBondContact O-N 2.97Å; C443-S445 PolarHBondContact O-N 3.4Å; S445-T566 VanDerWaalsContact CA-OG1 3.3Å; S445-T566 WeakPolarHBondContact CA-OG1 3.25Å |
| 446 | A | 98.3 | Very high | 96.8 | Very high | 11 Ų | 11 | 20.7 Ų | 20.7 | 9% | 0.091 | 10% | 0.103 | C | C | . | . | S | Bend | trans | -136.5 | -174 | -175.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | Y406 V424 G426 T566 | Y406-A446 VanDerWaalsContact OH-CA 3.3Å; Y406-A446 WeakPolarHBondContact OH-CA 3.31Å; V424-A446 HydrophobicContact CB-CB 4.28Å; V424-A446 HydrophobicContact CG1-CB 3.84Å; V424-A446 WeakPolarHBondContact O-CB 3.44Å; G426-A446 VanDerWaalsContact N-CB 3.29Å; A446-T566 HydrophobicContact CB-CG2 4.18Å; A446-T566 PolarHBondContact N-OG1 3.48Å; A446-T566 VanDerWaalsContact O-CG2 3.3Å; A446-T566 WeakPolarHBondContact O-CG2 3.49Å; A446-T566 PolarHBondContact O-OG1 3.48Å |
| 447 | D | 98.7 | Very high | 96.9 | Very high | 57 Ų | 57 | 24.6 Ų | 24.6 | 31% | 0.305 | 12% | 0.121 | S | C | . | . | S | Bend | trans | -77.6 | -46.3 | 179.6 | -59.3 | -32.8 | 0 | 0 | 0 | 110.7 | Y406 L423 V424 | Y406-D447 VanDerWaalsContact CE1-OD1 3.28Å; Y406-D447 WeakPolarHBondContact CE1-OD1 3.49Å; Y406-D447 PolarHBondContact OH-N 3.19Å; Y406-D447 PolarHBondContact OH-OD1 2.85Å; L423-D447 WeakPolarHBondContact CA-OD2 3.36Å; L423-D447 HydrophobicContact CD2-CB 4.22Å; V424-D447 PolarHBondContact N-OD2 3.46Å; V424-D447 PolarHBondContact O-N 3.05Å |
| 448 | I | 98.8 | Very high | 97 | Very high | 7 Ų | 7 | 22.4 Ų | 22.4 | 4% | 0.036 | 11% | 0.114 | C | C | . | . | B | Isolated β-bridge | trans | -145 | 153.5 | 176.9 | 56.7 | 176.4 | 0 | 0 | 0 | 111.4 | W251 L252 Y255 F264 L423 V424 L425 G426 T566 | W251-I448 HydrophobicContact CH2-CB 3.84Å; W251-I448 HydrophobicContact CH2-CD1 4.39Å; W251-I448 HydrophobicContact CH2-CG2 4.14Å; W251-I448 HydrophobicContact CZ3-CB 4.27Å; W251-I448 HydrophobicContact CZ3-CD1 4.21Å; L252-I448 HydrophobicContact CD2-CD1 3.64Å; L252-I448 HydrophobicContact CD2-CG1 4.45Å; Y255-I448 HydrophobicContact CD1-CD1 3.98Å; Y255-I448 HydrophobicContact CD1-CG2 3.91Å; Y255-I448 HydrophobicContact CE1-CG2 3.63Å; Y255-I448 HydrophobicContact CG-CD1 3.97Å; F264-I448 HydrophobicContact CE1-CD1 4.26Å; L423-I448 HydrophobicContact CD1-CD1 4.29Å; V424-I448 PolarHBondContact O-N 3.38Å; L425-I448 WeakPolarHBondContact CA-O 3.25Å; L425-I448 HydrophobicContact CD2-CD1 4.04Å; L425-I448 HydrophobicContact CD2-CG1 3.67Å; G426-I448 PolarHBondContact N-O 2.93Å; I448-T566 VanDerWaalsContact C-CG2 3.47Å |
| 449 | N | 98.8 | Very high | 97.2 | Very high | 2 Ų | 2 | 21.3 Ų | 21.3 | 1% | 0.011 | 11% | 0.109 | C | C | . | . | B | Isolated β-bridge | trans | -129.6 | 107.3 | 178.5 | 179.4 | -7.3 | 0 | 0 | 0 | 111.2 | G426 A428 I451 G452 T566 P567 S568 Y569 | G426-N449 PolarHBondContact O-OD1 2.97Å; A428-N449 PolarHBondContact N-ND2 3.31Å; A428-N449 PolarHBondContact O-ND2 3.17Å; N449-I451 VanDerWaalsContact C-N 3.27Å; N449-I451 PolarHBondContact O-N 3.28Å; N449-I451 VanDerWaalsContact OD1-CG1 3.27Å; N449-I451 WeakPolarHBondContact OD1-CG1 3.4Å; N449-I451 PolarHBondContact OD1-N 3.33Å; N449-G452 WeakPolarHBondContact ND2-CA 3.34Å; N449-G452 PolarHBondContact OD1-N 2.83Å; N449-T566 HydrophobicContact CB-CG2 3.89Å; N449-P567 PolarHBondContact N-O 3.46Å; N449-S568 CarbonylContact O-C 3.56Å; N449-S568 WeakPolarHBondContact O-CA 3.4Å; N449-S568 WeakPolarHBondContact O-CB 3.4Å; N449-Y569 PolarHBondContact O-N 3.04Å |
| 450 | P | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -14.8 | -177.2 | 29.9 | -34.6 | 0 | 0 | 0 | 114 | P248 W251 L252 T277 I280 Y569 | P248-P450 HydrophobicContact CB-CB 4.26Å; W251-P450 HydrophobicContact CE3-CB 4.46Å; W251-P450 HydrophobicContact CZ3-CB 4.26Å; L252-P450 HydrophobicContact CD1-CB 4.06Å; L252-P450 HydrophobicContact CD1-CG 4.14Å; L252-P450 HydrophobicContact CD2-CB 4.1Å; L252-P450 HydrophobicContact CD2-CG 4.36Å; L252-P450 HydrophobicContact CG-CB 4.08Å; T277-P450 HydrophobicContact CG2-CG 3.69Å; I280-P450 HydrophobicContact CD1-CB 4.3Å; I280-P450 HydrophobicContact CG2-CB 4.4Å; P450-Y569 WeakPolarHBondContact O-CB 3.48Å |
| 451 | I | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.3 | -3 | -177.5 | 63 | 161.7 | 0 | 0 | 0 | 114.2 | D273 I280 N449 G453 I454 L459 | D273-I451 HydrophobicContact CB-CD1 3.76Å; D273-I451 VanDerWaalsContact O-CD1 3.25Å; D273-I451 WeakPolarHBondContact O-CD1 3.49Å; I280-I451 HydrophobicContact CD1-CG2 3.36Å; N449-I451 VanDerWaalsContact C-N 3.27Å; N449-I451 PolarHBondContact O-N 3.28Å; N449-I451 VanDerWaalsContact OD1-CG1 3.27Å; N449-I451 WeakPolarHBondContact OD1-CG1 3.4Å; N449-I451 PolarHBondContact OD1-N 3.33Å; I451-G453 PolarHBondContact O-N 3.37Å; I451-I454 HydrophobicContact CB-CD1 4.37Å; I451-I454 HydrophobicContact CG2-CD1 4.28Å; I451-I454 WeakPolarHBondContact O-CB 3.38Å; I451-I454 PolarHBondContact O-N 3.47Å; I451-L459 HydrophobicContact CB-CD1 4.45Å; I451-L459 HydrophobicContact CB-CD2 4.01Å; I451-L459 HydrophobicContact CD1-CD1 3.9Å; I451-L459 HydrophobicContact CG2-CD2 3.89Å |
| 452 | G | 98 | Very high | 97.3 | Very high | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.01 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -9.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | A428 N449 | A428-G452 WeakPolarHBondContact O-CA 3.44Å; A428-G452 PolarHBondContact O-N 3.28Å; N449-G452 WeakPolarHBondContact ND2-CA 3.34Å; N449-G452 PolarHBondContact OD1-N 2.83Å |
| 453 | G | 97.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | 6.2 | 170.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | I451 Y569 A571 E572 | I451-G453 PolarHBondContact O-N 3.37Å; G453-Y569 WeakPolarHBondContact CA-O 3.43Å; G453-Y569 PolarHBondContact N-O 3.06Å; G453-A571 WeakPolarHBondContact O-CB 3.49Å; G453-E572 WeakPolarHBondContact O-CB 3.49Å; G453-E572 WeakPolarHBondContact O-CG 3.48Å; G453-E572 PolarHBondContact O-N 3.35Å |
| 454 | I | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 11% | 0.106 | C | C | . | . | S | Bend | trans | -113.6 | 141.1 | -171.4 | -51.3 | 175.9 | 0 | 0 | 0 | 110.5 | I244 P248 V430 I451 D458 L459 A571 | I244-I454 HydrophobicContact CD1-CG2 3.91Å; I244-I454 HydrophobicContact CG1-CD1 4.21Å; I244-I454 HydrophobicContact CG1-CG2 4.39Å; I244-I454 HydrophobicContact CG2-CD1 3.88Å; P248-I454 HydrophobicContact CG-CD1 4.26Å; V430-I454 VanDerWaalsContact CG1-C 3.46Å; V430-I454 VanDerWaalsContact CG1-O 3.28Å; V430-I454 WeakPolarHBondContact CG1-O 3.25Å; V430-I454 PolarHBondContact N-O 2.93Å; I451-I454 HydrophobicContact CB-CD1 4.37Å; I451-I454 HydrophobicContact CG2-CD1 4.28Å; I451-I454 WeakPolarHBondContact O-CB 3.38Å; I451-I454 PolarHBondContact O-N 3.47Å; I454-D458 HydrophobicContact CG2-CB 3.83Å; I454-L459 HydrophobicContact CB-CD2 4.02Å; I454-L459 HydrophobicContact CB-CG 4.33Å; I454-L459 HydrophobicContact CD1-CD2 4.3Å; I454-L459 HydrophobicContact CG2-CD2 3.73Å; I454-L459 HydrophobicContact CG2-CG 3.93Å; I454-A571 HydrophobicContact CG1-CB 3.91Å |
| 455 | S | 97.5 | Very high | 97.7 | Very high | 4 Ų | 4 | 19.8 Ų | 19.8 | 3% | 0.028 | 11% | 0.111 | C | C | . | . | trans | -69.8 | 148.9 | 178.4 | 78 | 0 | 0 | 0 | 0 | 113.1 | D431 M457 D458 L459 Y574 | D431-S455 WeakPolarHBondContact OD2-CA 3.48Å; S455-M457 PolarHBondContact O-N 3.4Å; S455-D458 PolarHBondContact O-N 2.91Å; S455-D458 VanDerWaalsContact O-N 3.15Å; S455-D458 VanDerWaalsContact OG-CB 3.25Å; S455-D458 WeakPolarHBondContact OG-CB 3.37Å; S455-D458 PolarHBondContact OG-N 3.37Å; S455-D458 PolarHBondContact OG-OD2 3.34Å; S455-L459 WeakPolarHBondContact O-CG 3.38Å; S455-L459 PolarHBondContact O-N 2.93Å; S455-Y574 WeakPolarHBondContact CB-OH 3.41Å | ||
| 456 | K | 95.3 | Very high | 98 | Very high | 9 Ų | 9 | 18.9 Ų | 18.9 | 4% | 0.039 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -57.6 | -36.9 | 176.4 | -165.2 | 82.8 | 170.2 | -163.3 | 0 | 111.8 | D273 N429 D431 E432 L459 K460 Y507 | D273-K456 WeakPolarHBondContact OD1-CD 3.48Å; D273-K456 WeakPolarHBondContact OD1-CE 3.39Å; D273-K456 IonicContact OD1-NZ 2.85Å; D273-K456 PolarHBondContact OD1-NZ 2.86Å; D273-K456 IonicContact OD2-NZ 2.82Å; D273-K456 PolarHBondContact OD2-NZ 2.8Å; N429-K456 VanDerWaalsContact ND2-CD 3.27Å; N429-K456 WeakPolarHBondContact ND2-CD 3.3Å; N429-K456 PolarHBondContact ND2-NZ 2.88Å; D431-K456 PolarHBondContact OD2-N 3.22Å; E432-K456 IonicContact OE1-NZ 3.09Å; E432-K456 PolarHBondContact OE1-NZ 3.23Å; K456-L459 PolarHBondContact O-N 2.96Å; K456-K460 PolarHBondContact O-N 3.24Å; K456-K460 VanDerWaalsContact O-N 3.09Å; K456-Y507 HydrophobicContact CB-CD1 3.43Å; K456-Y507 VanDerWaalsContact CB-CD1 3.43Å; K456-Y507 HydrophobicContact CB-CD2 4.41Å; K456-Y507 HydrophobicContact CB-CE1 3.89Å; K456-Y507 HydrophobicContact CB-CG 3.73Å; K456-Y507 HydrophobicContact CD-CD1 4.19Å; K456-Y507 HydrophobicContact CD-CE1 3.78Å; K456-Y507 HydrophobicContact CD-CE2 4.25Å; K456-Y507 HydrophobicContact CG-CD1 3.67Å; K456-Y507 HydrophobicContact CG-CD2 3.89Å; K456-Y507 HydrophobicContact CG-CE1 3.79Å; K456-Y507 HydrophobicContact CG-CE2 4.02Å; K456-Y507 HydrophobicContact CG-CG 3.72Å |
| 457 | M | 95.1 | Very high | 97.9 | Very high | 83 Ų | 83 | 18.7 Ų | 18.7 | 41% | 0.409 | 10% | 0.103 | S | C | . | . | H | α-helix | trans | -66.8 | -43.6 | 179.2 | -65.7 | -56 | -61.6 | 0 | 0 | 111.3 | S455 L459 K460 S461 | S455-M457 PolarHBondContact O-N 3.4Å; M457-L459 VanDerWaalsContact C-N 3.34Å; M457-L459 PolarHBondContact O-N 2.89Å; M457-K460 PolarHBondContact O-N 3.03Å; M457-S461 PolarHBondContact O-N 3.28Å; M457-S461 VanDerWaalsContact O-N 3.07Å; M457-S461 PolarHBondContact O-OG 3.4Å |
| 458 | D | 97.9 | Very high | 97.9 | Very high | 18 Ų | 18 | 22 Ų | 22 | 10% | 0.096 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -66.9 | -35.7 | 176.3 | -72.2 | -28.5 | 0 | 0 | 0 | 112.2 | R120 I244 I454 S455 S461 F462 | R120-D458 IonicContact CZ-OD1 2.87Å; R120-D458 IonicContact CZ-OD2 3.71Å; R120-D458 IonicContact NH1-OD1 2.86Å; R120-D458 IonicContact NH1-OD2 3.88Å; R120-D458 PolarHBondContact NH1-OD2 3.39Å; R120-D458 IonicContact NH2-OD1 2.73Å; R120-D458 PolarHBondContact NH2-OD1 2.93Å; R120-D458 IonicContact NH2-OD2 2.67Å; R120-D458 PolarHBondContact NH2-OD2 3.35Å; R120-D458 VanDerWaalsContact NH2-OD2 3.09Å; I244-D458 HydrophobicContact CD1-CB 3.85Å; I454-D458 HydrophobicContact CG2-CB 3.83Å; S455-D458 PolarHBondContact O-N 2.91Å; S455-D458 VanDerWaalsContact O-N 3.15Å; S455-D458 VanDerWaalsContact OG-CB 3.25Å; S455-D458 WeakPolarHBondContact OG-CB 3.37Å; S455-D458 PolarHBondContact OG-N 3.37Å; S455-D458 PolarHBondContact OG-OD2 3.34Å; D458-S461 PolarHBondContact O-N 3.46Å; D458-F462 WeakPolarHBondContact O-CB 3.49Å; D458-F462 PolarHBondContact O-N 3.46Å |
| 459 | L | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.4 | -41.7 | 173.9 | -67.7 | 177.4 | 0 | 0 | 0 | 112.1 | V272 N429 I451 I454 S455 K456 M457 F462 L463 | V272-L459 HydrophobicContact CG1-CB 4.23Å; N429-L459 HydrophobicContact CB-CD1 3.72Å; I451-L459 HydrophobicContact CB-CD1 4.45Å; I451-L459 HydrophobicContact CB-CD2 4.01Å; I451-L459 HydrophobicContact CD1-CD1 3.9Å; I451-L459 HydrophobicContact CG2-CD2 3.89Å; I454-L459 HydrophobicContact CB-CD2 4.02Å; I454-L459 HydrophobicContact CB-CG 4.33Å; I454-L459 HydrophobicContact CD1-CD2 4.3Å; I454-L459 HydrophobicContact CG2-CD2 3.73Å; I454-L459 HydrophobicContact CG2-CG 3.93Å; S455-L459 WeakPolarHBondContact O-CG 3.38Å; S455-L459 PolarHBondContact O-N 2.93Å; K456-L459 PolarHBondContact O-N 2.96Å; M457-L459 VanDerWaalsContact C-N 3.34Å; M457-L459 PolarHBondContact O-N 2.89Å; L459-F462 PolarHBondContact O-N 3.13Å; L459-L463 WeakPolarHBondContact O-CG 3.42Å; L459-L463 PolarHBondContact O-N 3.46Å |
| 460 | K | 96.9 | Very high | 97.7 | Very high | 69 Ų | 69 | 29.1 Ų | 29.1 | 30% | 0.3 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -62 | -47.1 | 174.1 | -73.2 | -179.4 | 177.6 | -177.4 | 0 | 111.6 | V272 K456 M457 F462 L463 A464 L479 | V272-K460 HydrophobicContact CG1-CG 4.1Å; V272-K460 HydrophobicContact CG2-CG 4.48Å; K456-K460 PolarHBondContact O-N 3.24Å; K456-K460 VanDerWaalsContact O-N 3.09Å; M457-K460 PolarHBondContact O-N 3.03Å; K460-F462 VanDerWaalsContact C-N 3.32Å; K460-F462 PolarHBondContact O-N 3.29Å; K460-L463 PolarHBondContact O-N 2.66Å; K460-A464 PolarHBondContact O-N 2.95Å; K460-A464 VanDerWaalsContact O-N 3.12Å; K460-L479 HydrophobicContact CB-CD2 4.17Å; K460-L479 HydrophobicContact CG-CD2 4.32Å |
| 461 | S | 97.8 | Very high | 97.6 | Very high | 53 Ų | 53 | 35.7 Ų | 35.7 | 37% | 0.371 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -64.5 | -37.2 | 177.3 | -62.4 | 0 | 0 | 0 | 0 | 112.5 | M457 D458 A464 Y465 | M457-S461 PolarHBondContact O-N 3.28Å; M457-S461 VanDerWaalsContact O-N 3.07Å; M457-S461 PolarHBondContact O-OG 3.4Å; D458-S461 PolarHBondContact O-N 3.46Å; S461-A464 PolarHBondContact O-N 3.2Å; S461-Y465 PolarHBondContact O-N 2.97Å |
| 462 | F | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.7 | -43.1 | 174.8 | 166 | -115.1 | 0 | 0 | 0 | 112 | I244 C279 I280 D458 L459 K460 A464 Y465 C466 | I244-F462 HydrophobicContact CB-CD2 4Å; I244-F462 HydrophobicContact CB-CE2 4.49Å; I244-F462 HydrophobicContact CB-CG 4.24Å; I244-F462 HydrophobicContact CD1-CB 4.32Å; I244-F462 HydrophobicContact CG2-CB 4.03Å; I244-F462 HydrophobicContact CG2-CD1 3.77Å; I244-F462 HydrophobicContact CG2-CD2 3.57Å; I244-F462 HydrophobicContact CG2-CE1 4.09Å; I244-F462 HydrophobicContact CG2-CE2 3.91Å; I244-F462 HydrophobicContact CG2-CG 3.49Å; I244-F462 VanDerWaalsContact CG2-CG 3.49Å; I244-F462 HydrophobicContact CG2-CZ 4.15Å; C279-F462 HydrophobicContact CB-CE1 3.82Å; C279-F462 HydrophobicContact CB-CZ 3.84Å; I280-F462 HydrophobicContact CD1-CE1 4.49Å; I280-F462 HydrophobicContact CG1-CE1 3.95Å; I280-F462 HydrophobicContact CG1-CZ 3.85Å; D458-F462 WeakPolarHBondContact O-CB 3.49Å; D458-F462 PolarHBondContact O-N 3.46Å; L459-F462 PolarHBondContact O-N 3.13Å; K460-F462 VanDerWaalsContact C-N 3.32Å; K460-F462 PolarHBondContact O-N 3.29Å; F462-A464 VanDerWaalsContact C-N 3.32Å; F462-A464 PolarHBondContact O-N 3.28Å; F462-Y465 HydrophobicContact CD2-CD1 4.4Å; F462-Y465 WeakPolarHBondContact O-CB 3.46Å; F462-Y465 PolarHBondContact O-N 3Å; F462-C466 WeakPolarHBondContact CE2-SG 3.36Å; F462-C466 WeakPolarHBondContact CZ-SG 3.27Å; F462-C466 PolarHBondContact O-N 2.98Å; F462-C466 PolarHBondContact O-SG 2.98Å |
| 463 | L | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.8 | -37.3 | 175.4 | -73 | -169.9 | 0 | 0 | 0 | 112.7 | V272 S276 C279 L459 K460 Y465 C466 A467 L475 I478 L479 | V272-L463 HydrophobicContact CB-CD1 4.24Å; V272-L463 HydrophobicContact CG1-CD1 3.85Å; V272-L463 HydrophobicContact CG2-CD1 4.42Å; S276-L463 WeakPolarHBondContact OG-CG 3.42Å; C279-L463 HydrophobicContact CB-CD2 4.36Å; L459-L463 WeakPolarHBondContact O-CG 3.42Å; L459-L463 PolarHBondContact O-N 3.46Å; K460-L463 PolarHBondContact O-N 2.66Å; L463-Y465 VanDerWaalsContact C-N 3.33Å; L463-C466 PolarHBondContact O-N 3.44Å; L463-A467 PolarHBondContact O-N 3.1Å; L463-L475 HydrophobicContact CD2-CD1 4.29Å; L463-L475 HydrophobicContact CD2-CD2 3.95Å; L463-L475 WeakPolarHBondContact O-CD1 3.28Å; L463-I478 HydrophobicContact CD1-CG2 4.38Å; L463-L479 HydrophobicContact CB-CD1 4.13Å; L463-L479 HydrophobicContact CB-CD2 4.02Å; L463-L479 HydrophobicContact CB-CG 4.2Å; L463-L479 HydrophobicContact CD1-CD2 4.31Å |
| 464 | A | 98.2 | Very high | 97.4 | Very high | 41 Ų | 41 | 40.2 Ų | 40.2 | 34% | 0.339 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -61.9 | -44.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | K460 S461 F462 C466 A467 E468 L479 | K460-A464 PolarHBondContact O-N 2.95Å; K460-A464 VanDerWaalsContact O-N 3.12Å; S461-A464 PolarHBondContact O-N 3.2Å; F462-A464 VanDerWaalsContact C-N 3.32Å; F462-A464 PolarHBondContact O-N 3.28Å; A464-C466 PolarHBondContact O-N 2.9Å; A464-A467 WeakPolarHBondContact O-CB 3.2Å; A464-A467 PolarHBondContact O-N 3.28Å; A464-E468 PolarHBondContact O-N 2.99Å; A464-L479 HydrophobicContact CB-CD1 4.07Å |
| 465 | Y | 98.4 | Very high | 97.3 | Very high | 42 Ų | 42 | 40.2 Ų | 40.2 | 17% | 0.165 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -58.2 | -46.3 | 172.1 | 167.8 | -88.4 | 0 | 0 | 0 | 112.1 | Q241 E242 S461 F462 L463 A467 E468 Q469 | Q241-Y465 HydrophobicContact CB-CD1 4.1Å; Q241-Y465 HydrophobicContact CB-CD2 3.87Å; Q241-Y465 HydrophobicContact CB-CG 3.63Å; Q241-Y465 HydrophobicContact CG-CG 4.41Å; E242-Y465 HydrophobicContact CG-CE2 3.84Å; E242-Y465 WeakPolarHBondContact CG-OH 3.21Å; S461-Y465 PolarHBondContact O-N 2.97Å; F462-Y465 HydrophobicContact CD2-CD1 4.4Å; F462-Y465 WeakPolarHBondContact O-CB 3.46Å; F462-Y465 PolarHBondContact O-N 3Å; L463-Y465 VanDerWaalsContact C-N 3.33Å; Y465-A467 VanDerWaalsContact C-N 3.32Å; Y465-A467 PolarHBondContact O-N 3.38Å; Y465-E468 PolarHBondContact O-N 2.73Å; Y465-Q469 HydrophobicContact CD1-CB 4.49Å; Y465-Q469 HydrophobicContact CD1-CG 4.12Å; Y465-Q469 HydrophobicContact CD2-CG 3.68Å; Y465-Q469 HydrophobicContact CE1-CB 4.14Å; Y465-Q469 HydrophobicContact CE1-CG 3.82Å; Y465-Q469 HydrophobicContact CE2-CG 3.39Å; Y465-Q469 HydrophobicContact CG-CG 4.04Å; Y465-Q469 VanDerWaalsContact CZ-CG 3.46Å; Y465-Q469 WeakPolarHBondContact O-CB 3.29Å; Y465-Q469 WeakPolarHBondContact O-CG 3.47Å; Y465-Q469 PolarHBondContact O-N 3.15Å |
| 466 | C | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.1 | -34.6 | 178 | -73.4 | 0 | 0 | 0 | 0 | 113.4 | C279 F462 L463 A464 E468 F470 L475 | C279-C466 HydrophobicContact CB-CB 4.33Å; F462-C466 WeakPolarHBondContact CE2-SG 3.36Å; F462-C466 WeakPolarHBondContact CZ-SG 3.27Å; F462-C466 PolarHBondContact O-N 2.98Å; F462-C466 PolarHBondContact O-SG 2.98Å; L463-C466 PolarHBondContact O-N 3.44Å; A464-C466 PolarHBondContact O-N 2.9Å; C466-E468 PolarHBondContact O-N 3.1Å; C466-F470 HydrophobicContact CB-CD2 3.9Å; C466-F470 HydrophobicContact CB-CE2 4.47Å; C466-F470 WeakPolarHBondContact O-CA 3.26Å; C466-F470 WeakPolarHBondContact O-CB 3.4Å; C466-F470 PolarHBondContact O-N 3.3Å; C466-L475 HydrophobicContact CB-CD1 3.63Å |
| 467 | A | 97.8 | Very high | 97.1 | Very high | 6 Ų | 6 | 48.9 Ų | 48.9 | 5% | 0.05 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.1 | -35.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | L463 A464 Y465 Q471 L472 L475 | L463-A467 PolarHBondContact O-N 3.1Å; A464-A467 WeakPolarHBondContact O-CB 3.2Å; A464-A467 PolarHBondContact O-N 3.28Å; Y465-A467 VanDerWaalsContact C-N 3.32Å; Y465-A467 PolarHBondContact O-N 3.38Å; A467-Q471 WeakPolarHBondContact O-CA 3.44Å; A467-Q471 PolarHBondContact O-N 2.9Å; A467-L472 PolarHBondContact O-N 3.32Å; A467-L475 HydrophobicContact CB-CB 3.98Å; A467-L475 HydrophobicContact CB-CD1 4.24Å |
| 468 | E | 96.9 | Very high | 97.1 | Very high | 128 Ų | 128 | 45 Ų | 45 | 60% | 0.598 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -85.2 | -50.7 | 178.2 | -65.1 | 178.2 | -179.3 | 0 | 0 | 112.2 | A464 Y465 C466 Q471 | A464-E468 PolarHBondContact O-N 2.99Å; Y465-E468 PolarHBondContact O-N 2.73Å; C466-E468 PolarHBondContact O-N 3.1Å; E468-Q471 PolarHBondContact O-NE2 2.78Å |
| 469 | Q | 97.5 | Very high | 97 | Very high | 114 Ų | 114 | 46.9 Ų | 46.9 | 53% | 0.533 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -73 | -38.9 | -173.2 | -65.7 | -60.8 | -39.1 | 0 | 0 | 113.3 | Y465 | Y465-Q469 HydrophobicContact CD1-CB 4.49Å; Y465-Q469 HydrophobicContact CD1-CG 4.12Å; Y465-Q469 HydrophobicContact CD2-CG 3.68Å; Y465-Q469 HydrophobicContact CE1-CB 4.14Å; Y465-Q469 HydrophobicContact CE1-CG 3.82Å; Y465-Q469 HydrophobicContact CE2-CG 3.39Å; Y465-Q469 HydrophobicContact CG-CG 4.04Å; Y465-Q469 VanDerWaalsContact CZ-CG 3.46Å; Y465-Q469 WeakPolarHBondContact O-CB 3.29Å; Y465-Q469 WeakPolarHBondContact O-CG 3.47Å; Y465-Q469 PolarHBondContact O-N 3.15Å |
| 470 | F | 96.9 | Very high | 96.7 | Very high | 44 Ų | 44 | 51 Ų | 51 | 19% | 0.193 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -101.4 | 2.9 | 179.7 | -56.5 | -48.7 | 0 | 0 | 0 | 112.9 | H282 V286 C466 L472 | H282-F470 AromaticContact CD2-CG 3.98Å; V286-F470 HydrophobicContact CG2-CD1 4.35Å; V286-F470 HydrophobicContact CG2-CE1 4.17Å; C466-F470 HydrophobicContact CB-CD2 3.9Å; C466-F470 HydrophobicContact CB-CE2 4.47Å; C466-F470 WeakPolarHBondContact O-CA 3.26Å; C466-F470 WeakPolarHBondContact O-CB 3.4Å; C466-F470 PolarHBondContact O-N 3.3Å; F470-L472 HydrophobicContact CB-CD1 3.94Å; F470-L472 HydrophobicContact CB-CG 3.8Å; F470-L472 PolarHBondContact O-N 3.43Å |
| 471 | Q | 96.8 | Very high | 96.3 | Very high | 138 Ų | 138 | 48.8 Ų | 48.8 | 65% | 0.645 | 27% | 0.272 | S | S | * | . | trans | 55.2 | 38.9 | 179.6 | -59.1 | -67.6 | -39.6 | 0 | 0 | 113 | A467 E468 T473 | A467-Q471 WeakPolarHBondContact O-CA 3.44Å; A467-Q471 PolarHBondContact O-N 2.9Å; E468-Q471 PolarHBondContact O-NE2 2.78Å; Q471-T473 PolarHBondContact O-N 3.05Å | ||
| 472 | L | 96.9 | Very high | 95.4 | Very high | 2 Ų | 2 | 49.7 Ų | 49.7 | 1% | 0.01 | 28% | 0.276 | C | S | . | . | trans | -90.9 | 90.1 | 179.6 | -58.3 | 176.1 | 0 | 0 | 0 | 109.8 | L346 E349 I350 A467 F470 A474 L475 | L346-L472 HydrophobicContact CD1-CD1 4.42Å; E349-L472 HydrophobicContact CB-CD2 3.79Å; E349-L472 WeakPolarHBondContact OE2-CA 3.29Å; I350-L472 HydrophobicContact CG2-CD1 3.9Å; I350-L472 HydrophobicContact CG2-CD2 3.9Å; A467-L472 PolarHBondContact O-N 3.32Å; F470-L472 HydrophobicContact CB-CD1 3.94Å; F470-L472 HydrophobicContact CB-CG 3.8Å; F470-L472 PolarHBondContact O-N 3.43Å; L472-A474 VanDerWaalsContact C-N 3.31Å; L472-A474 PolarHBondContact O-N 3.28Å; L472-L475 HydrophobicContact CB-CD1 3.73Å; L472-L475 HydrophobicContact CB-CG 3.91Å; L472-L475 HydrophobicContact CD1-CD1 4.06Å; L472-L475 WeakPolarHBondContact O-CB 3.38Å; L472-L475 PolarHBondContact O-N 3.08Å | ||
| 473 | T | 96 | Very high | 94.3 | Very high | 79 Ų | 79 | 51.6 Ų | 51.6 | 49% | 0.485 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -26.8 | -172.4 | 68.2 | 0 | 0 | 0 | 0 | 113.3 | E349 Q471 L475 R476 | E349-T473 WeakPolarHBondContact OE1-CA 3.34Å; E349-T473 WeakPolarHBondContact OE1-CB 3.22Å; E349-T473 PolarHBondContact OE1-N 3.34Å; E349-T473 PolarHBondContact OE1-OG1 3.09Å; E349-T473 PolarHBondContact OE2-N 3.18Å; Q471-T473 PolarHBondContact O-N 3.05Å; T473-L475 PolarHBondContact O-N 3.3Å; T473-L475 VanDerWaalsContact O-N 3.14Å; T473-R476 WeakPolarHBondContact O-CB 3.25Å; T473-R476 PolarHBondContact O-N 2.8Å; T473-R476 VanDerWaalsContact O-N 3.1Å |
| 474 | A | 96.5 | Very high | 93.2 | Very high | 14 Ų | 14 | 53.3 Ų | 53.3 | 12% | 0.116 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -58 | -28.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | D345 L346 E349 L472 R476 G477 I478 | D345-A474 HydrophobicContact CB-CB 3.95Å; L346-A474 HydrophobicContact CB-CB 4.12Å; E349-A474 PolarHBondContact OE1-N 3.44Å; E349-A474 VanDerWaalsContact OE1-N 3.08Å; E349-A474 VanDerWaalsContact OE2-CB 3.28Å; E349-A474 WeakPolarHBondContact OE2-CB 3.27Å; E349-A474 PolarHBondContact OE2-N 2.91Å; L472-A474 VanDerWaalsContact C-N 3.31Å; L472-A474 PolarHBondContact O-N 3.28Å; A474-R476 VanDerWaalsContact C-N 3.25Å; A474-R476 PolarHBondContact O-N 2.63Å; A474-G477 PolarHBondContact O-N 2.96Å; A474-I478 PolarHBondContact O-N 3.4Å |
| 475 | L | 97.4 | Very high | 92 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.7 | -28 | 179 | -64.1 | -178.7 | 0 | 0 | 0 | 113.4 | L346 L463 C466 A467 L472 T473 I478 L479 | L346-L475 HydrophobicContact CD1-CD2 3.69Å; L346-L475 HydrophobicContact CD1-CG 4.14Å; L346-L475 HydrophobicContact CD2-CD2 4.01Å; L346-L475 HydrophobicContact CG-CD2 4.49Å; L463-L475 HydrophobicContact CD2-CD1 4.29Å; L463-L475 HydrophobicContact CD2-CD2 3.95Å; L463-L475 WeakPolarHBondContact O-CD1 3.28Å; C466-L475 HydrophobicContact CB-CD1 3.63Å; A467-L475 HydrophobicContact CB-CB 3.98Å; A467-L475 HydrophobicContact CB-CD1 4.24Å; L472-L475 HydrophobicContact CB-CD1 3.73Å; L472-L475 HydrophobicContact CB-CG 3.91Å; L472-L475 HydrophobicContact CD1-CD1 4.06Å; L472-L475 WeakPolarHBondContact O-CB 3.38Å; L472-L475 PolarHBondContact O-N 3.08Å; T473-L475 PolarHBondContact O-N 3.3Å; T473-L475 VanDerWaalsContact O-N 3.14Å; L475-I478 HydrophobicContact CD2-CD1 3.97Å; L475-I478 PolarHBondContact O-N 2.93Å; L475-L479 WeakPolarHBondContact O-CB 3.4Å; L475-L479 WeakPolarHBondContact O-CG 3.42Å; L475-L479 PolarHBondContact O-N 3.09Å |
| 476 | R | 95.1 | Very high | 91.1 | Very high | 156 Ų | 156 | 52.9 Ų | 52.9 | 59% | 0.589 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -63.9 | -43.3 | 177 | -65.3 | -179 | 179.7 | 159.1 | 1.6 | 111.2 | T473 A474 I478 L479 A480 | T473-R476 WeakPolarHBondContact O-CB 3.25Å; T473-R476 PolarHBondContact O-N 2.8Å; T473-R476 VanDerWaalsContact O-N 3.1Å; A474-R476 VanDerWaalsContact C-N 3.25Å; A474-R476 PolarHBondContact O-N 2.63Å; R476-I478 VanDerWaalsContact C-N 3.34Å; R476-L479 PolarHBondContact O-N 3.08Å; R476-A480 WeakPolarHBondContact O-CB 3.47Å; R476-A480 PolarHBondContact O-N 3.35Å; R476-A480 VanDerWaalsContact O-N 3.09Å |
| 477 | G | 93.6 | Very high | 90.1 | Very high | 39 Ų | 39 | 54.2 Ų | 54.2 | 40% | 0.402 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -66 | -36 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | A474 A481 | A474-G477 PolarHBondContact O-N 2.96Å; G477-A481 PolarHBondContact O-N 2.96Å |
| 478 | I | 95.3 | Very high | 89.1 | Confident | 2 Ų | 2 | 55.7 Ų | 55.7 | 1% | 0.01 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -67.3 | -42.2 | 176.5 | -66.6 | 159.2 | 0 | 0 | 0 | 111.5 | V272 S275 R342 L346 L463 A474 L475 R476 A481 | V272-I478 HydrophobicContact CG2-CG2 4.39Å; S275-I478 WeakPolarHBondContact OG-CD1 3.14Å; R342-I478 HydrophobicContact CB-CD1 4.5Å; R342-I478 HydrophobicContact CB-CG1 3.93Å; R342-I478 HydrophobicContact CG-CG1 4.22Å; L346-I478 HydrophobicContact CB-CD1 4.21Å; L346-I478 HydrophobicContact CD2-CD1 3.92Å; L463-I478 HydrophobicContact CD1-CG2 4.38Å; A474-I478 PolarHBondContact O-N 3.4Å; L475-I478 HydrophobicContact CD2-CD1 3.97Å; L475-I478 PolarHBondContact O-N 2.93Å; R476-I478 VanDerWaalsContact C-N 3.34Å; I478-A481 PolarHBondContact O-N 3.04Å |
| 479 | L | 94.6 | Very high | 88.1 | Confident | 57 Ų | 57 | 50.8 Ų | 50.8 | 30% | 0.298 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -69.6 | -33.2 | 178.8 | -77.1 | 169.3 | 0 | 0 | 0 | 113.2 | K460 L463 A464 L475 R476 A481 | K460-L479 HydrophobicContact CB-CD2 4.17Å; K460-L479 HydrophobicContact CG-CD2 4.32Å; L463-L479 HydrophobicContact CB-CD1 4.13Å; L463-L479 HydrophobicContact CB-CD2 4.02Å; L463-L479 HydrophobicContact CB-CG 4.2Å; L463-L479 HydrophobicContact CD1-CD2 4.31Å; A464-L479 HydrophobicContact CB-CD1 4.07Å; L475-L479 WeakPolarHBondContact O-CB 3.4Å; L475-L479 WeakPolarHBondContact O-CG 3.42Å; L475-L479 PolarHBondContact O-N 3.09Å; R476-L479 PolarHBondContact O-N 3.08Å; L479-A481 VanDerWaalsContact C-N 3.34Å |
| 480 | A | 92.6 | Very high | 86.7 | Confident | 86 Ų | 86 | 48.6 Ų | 48.6 | 71% | 0.711 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -77.1 | -20.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | R476 | R476-A480 WeakPolarHBondContact O-CB 3.47Å; R476-A480 PolarHBondContact O-N 3.35Å; R476-A480 VanDerWaalsContact O-N 3.09Å |
| 481 | A | 87.8 | Confident | 85 | Confident | 23 Ų | 23 | 52.4 Ų | 52.4 | 19% | 0.19 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -71.2 | 141.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | G477 I478 L479 | G477-A481 PolarHBondContact O-N 2.96Å; I478-A481 PolarHBondContact O-N 3.04Å; L479-A481 VanDerWaalsContact C-N 3.34Å |
| 482 | P | 78.9 | Confident | 83 | Confident | 72 Ų | 72 | 53.7 Ų | 53.7 | 47% | 0.468 | 31% | 0.311 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 137.9 | 174.9 | 27.7 | -33.8 | 0 | 0 | 0 | 110.6 | T484 L495 | P482-T484 PolarHBondContact O-N 2.87Å; P482-L495 HydrophobicContact CG-CD1 3.58Å |
| 483 | P | 76.8 | Confident | 81 | Confident | 41 Ų | 41 | 56.6 Ų | 56.6 | 27% | 0.266 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -72.2 | 116.9 | 177.1 | 29.3 | -32.6 | 0 | 0 | 0 | 110 | T498 D499 | P483-T498 VanDerWaalsContact O-CA 3.27Å; P483-T498 WeakPolarHBondContact O-CA 3.29Å; P483-T498 WeakPolarHBondContact O-CB 3.37Å; P483-D499 PolarHBondContact O-N 3.47Å |
| 484 | T | 75.6 | Confident | 79 | Confident | 35 Ų | 35 | 60 Ų | 60 | 22% | 0.215 | 35% | 0.353 | C | S | . | . | trans | -154.4 | 144.3 | -175.8 | -173.4 | 0 | 0 | 0 | 0 | 111 | P482 E486 L495 Q497 | P482-T484 PolarHBondContact O-N 2.87Å; T484-E486 HydrophobicContact CG2-CG 4.32Å; T484-L495 HydrophobicContact CG2-CD1 3.85Å; T484-L495 HydrophobicContact CG2-CD2 3.51Å; T484-L495 HydrophobicContact CG2-CG 4.26Å; T484-Q497 PolarHBondContact OG1-O 2.67Å | ||
| 485 | A | 72 | Confident | 77.2 | Confident | 49 Ų | 49 | 63 Ų | 63 | 41% | 0.405 | 37% | 0.366 | S | S | . | . | trans | -94.6 | 106.4 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | L487 | A485-L487 HydrophobicContact CB-CD1 4.2Å; A485-L487 HydrophobicContact CB-CG 4.18Å; A485-L487 PolarHBondContact O-N 2.82Å | ||
| 486 | E | 78.8 | Confident | 75.3 | Confident | 25 Ų | 25 | 65.5 Ų | 65.5 | 12% | 0.117 | 38% | 0.384 | C | S | . | . | trans | -74.4 | 61.2 | 177.4 | -61.5 | 179.7 | 165.5 | 0 | 0 | 111.6 | S335 S336 T339 T484 L495 | S335-E486 WeakPolarHBondContact CA-OE2 3.37Å; S336-E486 WeakPolarHBondContact CB-OE1 3.29Å; S336-E486 PolarHBondContact N-OE2 2.96Å; S336-E486 PolarHBondContact OG-OE1 2.75Å; S336-E486 PolarHBondContact OG-OE2 3.08Å; T339-E486 VanDerWaalsContact CG2-CD 3.41Å; T339-E486 HydrophobicContact CG2-CG 4.47Å; T339-E486 WeakPolarHBondContact CG2-OE1 2.98Å; T339-E486 VanDerWaalsContact CG2-OE2 3.32Å; T339-E486 WeakPolarHBondContact CG2-OE2 3.37Å; T339-E486 PolarHBondContact OG1-OE2 3.39Å; T484-E486 HydrophobicContact CG2-CG 4.32Å; E486-L495 HydrophobicContact CG-CD2 4.25Å | ||
| 487 | L | 77.4 | Confident | 74.1 | Confident | 28 Ų | 28 | 61.8 Ų | 61.8 | 15% | 0.147 | 37% | 0.373 | C | S | . | . | trans | -109.5 | -9.5 | -178.3 | -60.6 | 179.8 | 0 | 0 | 0 | 113.3 | N334 F380 Q394 Q397 A485 | N334-L487 PolarHBondContact ND2-O 3.28Å; F380-L487 VanDerWaalsContact CE1-O 3.29Å; F380-L487 WeakPolarHBondContact CE1-O 3.45Å; Q394-L487 HydrophobicContact CB-CB 4.09Å; Q394-L487 HydrophobicContact CB-CD1 4.21Å; Q394-L487 HydrophobicContact CG-CB 3.76Å; Q397-L487 HydrophobicContact CB-CD2 4.45Å; Q397-L487 PolarHBondContact NE2-O 2.96Å; A485-L487 HydrophobicContact CB-CD1 4.2Å; A485-L487 HydrophobicContact CB-CG 4.18Å; A485-L487 PolarHBondContact O-N 2.82Å | ||
| 488 | E | 78.4 | Confident | 73.4 | Confident | 38 Ų | 38 | 62.6 Ų | 62.6 | 18% | 0.178 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -115.1 | 152.2 | 175.9 | -64.8 | -173.2 | -176.7 | 0 | 0 | 111 | N334 N390 Q394 L490 | N334-E488 WeakPolarHBondContact CB-O 3.18Å; N390-E488 PolarHBondContact ND2-OE1 3.15Å; Q394-E488 HydrophobicContact CG-CG 4.18Å; Q394-E488 PolarHBondContact NE2-OE1 3.24Å; E488-L490 PolarHBondContact O-N 2.95Å |
| 489 | P | 74.8 | Confident | 72.8 | Confident | 24 Ų | 24 | 63.4 Ų | 63.4 | 16% | 0.156 | 38% | 0.375 | C | S | . | . | P | Polyproline II helix | trans | -54.8 | 136 | 171.2 | -23.7 | 32.6 | 0 | 0 | 0 | 111.6 | N334 F380 A382 K491 S496 | N334-P489 VanDerWaalsContact OD1-CA 3.29Å; N334-P489 WeakPolarHBondContact OD1-CA 3.18Å; F380-P489 HydrophobicContact CB-CG 4.02Å; F380-P489 HydrophobicContact CD2-CG 3.69Å; F380-P489 HydrophobicContact CE2-CG 4.25Å; F380-P489 VanDerWaalsContact CG-CD 3.46Å; F380-P489 HydrophobicContact CG-CG 3.84Å; A382-P489 HydrophobicContact CB-CB 4.37Å; P489-K491 PolarHBondContact O-N 3.17Å; P489-S496 PolarHBondContact O-OG 3.33Å |
| 490 | L | 68.9 | Low | 72.4 | Confident | 69 Ų | 69 | 63.4 Ų | 63.4 | 36% | 0.361 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -63.4 | 129.9 | 173.5 | -60.8 | 171.2 | 0 | 0 | 0 | 109.5 | E488 L495 | E488-L490 PolarHBondContact O-N 2.95Å; L490-L495 HydrophobicContact CD2-CD2 4.02Å |
| 491 | K | 60.6 | Low | 71.9 | Confident | 124 Ų | 124 | 62.9 Ų | 62.9 | 54% | 0.539 | 36% | 0.364 | S | S | . | . | B | Isolated β-bridge | trans | -83.4 | 118.7 | 169.9 | -101 | -175.6 | 173.6 | -179 | 0 | 108.8 | P489 G493 Q494 | P489-K491 PolarHBondContact O-N 3.17Å; K491-G493 PolarHBondContact O-N 3.28Å; K491-G493 VanDerWaalsContact O-N 3.08Å; K491-Q494 PolarHBondContact N-O 3.21Å; K491-Q494 PolarHBondContact O-N 2.99Å |
| 492 | D | 54.7 | Low | 71.7 | Confident | 164 Ų | 164 | 65.9 Ų | 65.9 | 88% | 0.877 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.6 | 31.9 | 178.2 | -56.4 | -46.3 | 0 | 0 | 0 | 114.2 | Q494 | D492-Q494 VanDerWaalsContact C-N 3.25Å; D492-Q494 PolarHBondContact O-N 2.82Å |
| 493 | G | 54.7 | Low | 72.1 | Confident | 64 Ų | 64 | 63.2 Ų | 63.2 | 66% | 0.66 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.5 | 6.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115 | K491 | K491-G493 PolarHBondContact O-N 3.28Å; K491-G493 VanDerWaalsContact O-N 3.08Å |
| 494 | Q | 54.6 | Low | 72.7 | Confident | 150 Ų | 150 | 63.2 Ų | 63.2 | 70% | 0.701 | 37% | 0.366 | S | S | * | . | B | Isolated β-bridge | trans | -107.4 | 150.5 | 176.2 | -63.4 | -168.1 | -1.3 | 0 | 0 | 112 | K491 D492 S496 | K491-Q494 PolarHBondContact N-O 3.21Å; K491-Q494 PolarHBondContact O-N 2.99Å; D492-Q494 VanDerWaalsContact C-N 3.25Å; D492-Q494 PolarHBondContact O-N 2.82Å; Q494-S496 PolarHBondContact O-N 3.09Å |
| 495 | L | 59.4 | Low | 73.4 | Confident | 76 Ų | 76 | 61.9 Ų | 61.9 | 40% | 0.398 | 36% | 0.357 | S | S | . | . | trans | -62.8 | 127.4 | 176.5 | -72.3 | 164.6 | 0 | 0 | 0 | 110.4 | P482 T484 E486 L490 | P482-L495 HydrophobicContact CG-CD1 3.58Å; T484-L495 HydrophobicContact CG2-CD1 3.85Å; T484-L495 HydrophobicContact CG2-CD2 3.51Å; T484-L495 HydrophobicContact CG2-CG 4.26Å; E486-L495 HydrophobicContact CG-CD2 4.25Å; L490-L495 HydrophobicContact CD2-CD2 4.02Å | ||
| 496 | S | 57.3 | Low | 74.4 | Confident | 53 Ų | 53 | 63.9 Ų | 63.9 | 37% | 0.371 | 36% | 0.359 | S | S | . | . | trans | -72.7 | -31.9 | -173.7 | -57.5 | 0 | 0 | 0 | 0 | 113.4 | P489 Q494 | P489-S496 PolarHBondContact O-OG 3.33Å; Q494-S496 PolarHBondContact O-N 3.09Å | ||
| 497 | Q | 69.3 | Low | 75 | Confident | 78 Ų | 78 | 62.7 Ų | 62.7 | 36% | 0.364 | 35% | 0.354 | S | S | . | . | trans | -164.8 | 150.1 | -174.8 | -158.1 | 167.9 | -18.7 | 0 | 0 | 113.6 | T484 D502 | T484-Q497 PolarHBondContact OG1-O 2.67Å; Q497-D502 HydrophobicContact CG-CB 4.45Å; Q497-D502 VanDerWaalsContact NE2-CB 3.3Å; Q497-D502 PolarHBondContact NE2-OD1 2.96Å | ||
| 498 | T | 79.8 | Confident | 75.7 | Confident | 56 Ų | 56 | 64.2 Ų | 64.2 | 34% | 0.344 | 37% | 0.367 | S | S | . | . | trans | -96 | 155.1 | 170.5 | 61.4 | 0 | 0 | 0 | 0 | 111.9 | P483 E500 S501 D502 | P483-T498 VanDerWaalsContact O-CA 3.27Å; P483-T498 WeakPolarHBondContact O-CA 3.29Å; P483-T498 WeakPolarHBondContact O-CB 3.37Å; T498-E500 VanDerWaalsContact C-N 3.31Å; T498-E500 PolarHBondContact O-N 2.84Å; T498-S501 WeakPolarHBondContact O-CB 3.43Å; T498-S501 PolarHBondContact O-N 3.23Å; T498-S501 VanDerWaalsContact O-N 3.11Å; T498-S501 WeakPolarHBondContact OG1-CB 3.28Å; T498-S501 PolarHBondContact OG1-N 3.02Å; T498-D502 PolarHBondContact O-N 3.2Å; T498-D502 VanDerWaalsContact O-N 3.08Å | ||
| 499 | D | 82.1 | Confident | 76.4 | Confident | 19 Ų | 19 | 63.1 Ų | 63.1 | 10% | 0.102 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -58.3 | -40.7 | -178.9 | -56.2 | -22.8 | 0 | 0 | 0 | 112.8 | Y437 P483 S501 D502 M503 | Y437-D499 HydrophobicContact CE1-CB 4.08Å; P483-D499 PolarHBondContact O-N 3.47Å; D499-S501 VanDerWaalsContact C-N 3.32Å; D499-S501 PolarHBondContact O-N 2.93Å; D499-D502 PolarHBondContact O-N 3.41Å; D499-M503 WeakPolarHBondContact O-CB 3.13Å; D499-M503 WeakPolarHBondContact O-CG 3.03Å; D499-M503 PolarHBondContact O-N 3.45Å |
| 500 | E | 85.1 | Confident | 77.4 | Confident | 58 Ų | 58 | 62 Ų | 62 | 27% | 0.271 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -67 | -34.3 | 179.3 | -66.1 | -174 | 134.6 | 0 | 0 | 112.1 | T498 G504 M505 M506 Y507 | T498-E500 VanDerWaalsContact C-N 3.31Å; T498-E500 PolarHBondContact O-N 2.84Å; E500-G504 PolarHBondContact O-N 3.39Å; E500-M505 WeakPolarHBondContact CA-O 3.23Å; E500-M505 PolarHBondContact O-N 3.46Å; E500-M505 VanDerWaalsContact O-N 3.17Å; E500-M506 VanDerWaalsContact OE1-CA 3.32Å; E500-M506 WeakPolarHBondContact OE1-CA 3.45Å; E500-Y507 HydrophobicContact CG-CD2 3.58Å; E500-Y507 HydrophobicContact CG-CE2 3.74Å; E500-Y507 VanDerWaalsContact OE1-CD2 3.28Å; E500-Y507 WeakPolarHBondContact OE1-CD2 3.34Å; E500-Y507 PolarHBondContact OE1-N 3.04Å |
| 501 | S | 83.4 | Confident | 78.5 | Confident | 74 Ų | 74 | 58.9 Ų | 58.9 | 52% | 0.517 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -66.5 | -44.2 | 174.5 | -176.9 | 0 | 0 | 0 | 0 | 110.7 | T498 D499 G504 | T498-S501 WeakPolarHBondContact O-CB 3.43Å; T498-S501 PolarHBondContact O-N 3.23Å; T498-S501 VanDerWaalsContact O-N 3.11Å; T498-S501 WeakPolarHBondContact OG1-CB 3.28Å; T498-S501 PolarHBondContact OG1-N 3.02Å; D499-S501 VanDerWaalsContact C-N 3.32Å; D499-S501 PolarHBondContact O-N 2.93Å; S501-G504 PolarHBondContact O-N 3.49Å |
| 502 | D | 82.7 | Confident | 80.2 | Confident | 86 Ų | 86 | 54.7 Ų | 54.7 | 46% | 0.46 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -69.2 | -38.9 | 178.8 | -158.1 | 41.2 | 0 | 0 | 0 | 113.3 | Y437 Q497 T498 D499 G504 | Y437-D502 HydrophobicContact CE2-CB 4.08Å; Y437-D502 VanDerWaalsContact CE2-OD2 3.29Å; Y437-D502 WeakPolarHBondContact CE2-OD2 3.4Å; Y437-D502 WeakPolarHBondContact OH-CB 3.41Å; Y437-D502 PolarHBondContact OH-OD2 3.35Å; Q497-D502 HydrophobicContact CG-CB 4.45Å; Q497-D502 VanDerWaalsContact NE2-CB 3.3Å; Q497-D502 PolarHBondContact NE2-OD1 2.96Å; T498-D502 PolarHBondContact O-N 3.2Å; T498-D502 VanDerWaalsContact O-N 3.08Å; D499-D502 PolarHBondContact O-N 3.41Å; D502-G504 PolarHBondContact O-N 3.36Å |
| 503 | M | 87.8 | Confident | 82.2 | Confident | 17 Ų | 17 | 46.9 Ų | 46.9 | 8% | 0.084 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -68.3 | -23.9 | 171.8 | -72.5 | -168.4 | -67 | 0 | 0 | 112.9 | Y437 D499 M505 Y507 L510 H550 | Y437-M503 HydrophobicContact CD1-CG 3.72Å; Y437-M503 HydrophobicContact CD1-SD 3.73Å; Y437-M503 HydrophobicContact CD2-CG 3.45Å; Y437-M503 VanDerWaalsContact CD2-CG 3.45Å; Y437-M503 HydrophobicContact CD2-SD 4.36Å; Y437-M503 HydrophobicContact CE1-CG 4.07Å; Y437-M503 HydrophobicContact CE1-SD 4.44Å; Y437-M503 HydrophobicContact CE2-CG 3.82Å; Y437-M503 HydrophobicContact CG-CG 3.4Å; Y437-M503 VanDerWaalsContact CG-CG 3.4Å; Y437-M503 HydrophobicContact CG-SD 3.69Å; D499-M503 WeakPolarHBondContact O-CB 3.13Å; D499-M503 WeakPolarHBondContact O-CG 3.03Å; D499-M503 PolarHBondContact O-N 3.45Å; M503-M505 PolarHBondContact O-N 3.34Å; M503-Y507 HydrophobicContact CE-CD1 4.35Å; M503-Y507 HydrophobicContact CE-CE1 3.74Å; M503-Y507 HydrophobicContact CE-CE2 4.02Å; M503-L510 HydrophobicContact CE-CD1 4.06Å; M503-L510 HydrophobicContact SD-CD1 3.99Å; M503-H550 PolarHBondContact O-NE2 3.38Å |
| 504 | G | 88.4 | Confident | 84.2 | Confident | 40 Ų | 40 | 43.8 Ų | 43.8 | 41% | 0.412 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.6 | 20.5 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | E500 S501 D502 | E500-G504 PolarHBondContact O-N 3.39Å; S501-G504 PolarHBondContact O-N 3.49Å; D502-G504 PolarHBondContact O-N 3.36Å |
| 505 | M | 90.4 | Very high | 86.2 | Confident | 8 Ų | 8 | 41.4 Ų | 41.4 | 4% | 0.039 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -151.2 | 143.8 | -178.7 | -66.8 | -163.8 | 176 | 0 | 0 | 111.3 | E500 M503 L510 I513 K547 H550 F551 | E500-M505 WeakPolarHBondContact CA-O 3.23Å; E500-M505 PolarHBondContact O-N 3.46Å; E500-M505 VanDerWaalsContact O-N 3.17Å; M503-M505 PolarHBondContact O-N 3.34Å; M505-L510 HydrophobicContact CB-CD2 4.05Å; M505-L510 HydrophobicContact CB-CG 4.12Å; M505-L510 HydrophobicContact CG-CD2 4.48Å; M505-L510 HydrophobicContact SD-CD2 3.68Å; M505-I513 HydrophobicContact CE-CD1 4.47Å; M505-I513 HydrophobicContact SD-CD1 3.93Å; M505-K547 HydrophobicContact CE-CB 4.23Å; M505-K547 WeakPolarHBondContact CE-O 3.38Å; M505-H550 HydrophobicContact CE-CB 4.07Å; M505-F551 HydrophobicContact CE-CB 3.49Å; M505-F551 VanDerWaalsContact CE-CB 3.49Å; M505-F551 HydrophobicContact SD-CB 4.06Å; M505-F551 HydrophobicContact SD-CD2 4.42Å |
| 506 | M | 92.6 | Very high | 88.1 | Confident | 90 Ų | 90 | 38.7 Ų | 38.7 | 44% | 0.443 | 22% | 0.22 | S | C | . | . | trans | -78.1 | 149.7 | 172.4 | -58.9 | -175.5 | -66.6 | 0 | 0 | 110.8 | E500 S508 E509 L510 | E500-M506 VanDerWaalsContact OE1-CA 3.32Å; E500-M506 WeakPolarHBondContact OE1-CA 3.45Å; M506-S508 PolarHBondContact O-N 3Å; M506-E509 HydrophobicContact CB-CG 4.1Å; M506-E509 HydrophobicContact CE-CG 3.8Å; M506-E509 PolarHBondContact N-OE2 2.9Å; M506-E509 WeakPolarHBondContact O-CB 3.45Å; M506-E509 PolarHBondContact O-N 2.99Å; M506-L510 PolarHBondContact O-N 3.26Å | ||
| 507 | Y | 91.8 | Very high | 90 | Very high | 1 Ų | 1 | 36.3 Ų | 36.3 | 0% | 0.004 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59.2 | -35.2 | 174.8 | -74.7 | -74.1 | 0 | 0 | 0 | 112.2 | D431 E432 K456 E500 M503 E509 L510 S511 | D431-Y507 HydrophobicContact CB-CD1 3.98Å; D431-Y507 HydrophobicContact CB-CE1 4.36Å; E432-Y507 HydrophobicContact CG-CE1 4.12Å; E432-Y507 PolarHBondContact OE1-OH 3.37Å; K456-Y507 HydrophobicContact CB-CD1 3.43Å; K456-Y507 VanDerWaalsContact CB-CD1 3.43Å; K456-Y507 HydrophobicContact CB-CD2 4.41Å; K456-Y507 HydrophobicContact CB-CE1 3.89Å; K456-Y507 HydrophobicContact CB-CG 3.73Å; K456-Y507 HydrophobicContact CD-CD1 4.19Å; K456-Y507 HydrophobicContact CD-CE1 3.78Å; K456-Y507 HydrophobicContact CD-CE2 4.25Å; K456-Y507 HydrophobicContact CG-CD1 3.67Å; K456-Y507 HydrophobicContact CG-CD2 3.89Å; K456-Y507 HydrophobicContact CG-CE1 3.79Å; K456-Y507 HydrophobicContact CG-CE2 4.02Å; K456-Y507 HydrophobicContact CG-CG 3.72Å; E500-Y507 HydrophobicContact CG-CD2 3.58Å; E500-Y507 HydrophobicContact CG-CE2 3.74Å; E500-Y507 VanDerWaalsContact OE1-CD2 3.28Å; E500-Y507 WeakPolarHBondContact OE1-CD2 3.34Å; E500-Y507 PolarHBondContact OE1-N 3.04Å; M503-Y507 HydrophobicContact CE-CD1 4.35Å; M503-Y507 HydrophobicContact CE-CE1 3.74Å; M503-Y507 HydrophobicContact CE-CE2 4.02Å; Y507-E509 VanDerWaalsContact C-N 3.3Å; Y507-E509 PolarHBondContact O-N 3.3Å; Y507-L510 HydrophobicContact CD1-CD1 4.43Å; Y507-L510 PolarHBondContact O-N 2.95Å; Y507-S511 PolarHBondContact O-N 3.18Å; Y507-S511 PolarHBondContact O-OG 3.39Å |
| 508 | S | 92 | Very high | 91.4 | Very high | 60 Ų | 60 | 33.8 Ų | 33.8 | 42% | 0.42 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -61.5 | -37.1 | 175.2 | 57 | 0 | 0 | 0 | 0 | 112.7 | M506 | M506-S508 PolarHBondContact O-N 3Å |
| 509 | E | 94.3 | Very high | 92.2 | Very high | 14 Ų | 14 | 34.6 Ų | 34.6 | 7% | 0.065 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -71.1 | -42.3 | 174.5 | -61.7 | 175.3 | 136.2 | 0 | 0 | 111 | M506 Y507 S511 V512 I513 W535 K547 | M506-E509 HydrophobicContact CB-CG 4.1Å; M506-E509 HydrophobicContact CE-CG 3.8Å; M506-E509 PolarHBondContact N-OE2 2.9Å; M506-E509 WeakPolarHBondContact O-CB 3.45Å; M506-E509 PolarHBondContact O-N 2.99Å; Y507-E509 VanDerWaalsContact C-N 3.3Å; Y507-E509 PolarHBondContact O-N 3.3Å; E509-S511 PolarHBondContact O-N 3.07Å; E509-V512 PolarHBondContact O-N 3.41Å; E509-I513 WeakPolarHBondContact O-CG1 3.49Å; E509-I513 PolarHBondContact O-N 3.47Å; E509-W535 HydrophobicContact CB-CH2 4.13Å; E509-W535 HydrophobicContact CB-CZ2 4.13Å; E509-W535 HydrophobicContact CG-CH2 4.31Å; E509-W535 HydrophobicContact CG-CZ2 4.19Å; E509-K547 WeakPolarHBondContact OE1-CE 3.41Å; E509-K547 IonicContact OE1-NZ 2.7Å; E509-K547 PolarHBondContact OE1-NZ 3.49Å; E509-K547 IonicContact OE2-NZ 3.73Å; E509-K547 PolarHBondContact OE2-NZ 3.43Å |
| 510 | L | 94.5 | Very high | 92.9 | Very high | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.6 | -41.9 | -179.4 | -71.5 | 178.7 | 0 | 0 | 0 | 112.5 | D431 T435 M503 M505 M506 Y507 V512 I513 G514 F551 | D431-L510 HydrophobicContact CB-CB 4.33Å; D431-L510 HydrophobicContact CB-CD1 4.39Å; T435-L510 HydrophobicContact CG2-CD1 3.85Å; T435-L510 HydrophobicContact CG2-CD2 3.48Å; T435-L510 VanDerWaalsContact CG2-CD2 3.48Å; T435-L510 HydrophobicContact CG2-CG 4.32Å; M503-L510 HydrophobicContact CE-CD1 4.06Å; M503-L510 HydrophobicContact SD-CD1 3.99Å; M505-L510 HydrophobicContact CB-CD2 4.05Å; M505-L510 HydrophobicContact CB-CG 4.12Å; M505-L510 HydrophobicContact CG-CD2 4.48Å; M505-L510 HydrophobicContact SD-CD2 3.68Å; M506-L510 PolarHBondContact O-N 3.26Å; Y507-L510 HydrophobicContact CD1-CD1 4.43Å; Y507-L510 PolarHBondContact O-N 2.95Å; L510-V512 VanDerWaalsContact C-N 3.31Å; L510-V512 PolarHBondContact O-N 3.12Å; L510-I513 PolarHBondContact O-N 3.26Å; L510-G514 PolarHBondContact O-N 3.11Å; L510-F551 HydrophobicContact CD2-CD2 4.29Å |
| 511 | S | 93.1 | Very high | 93.5 | Very high | 4 Ų | 4 | 40.9 Ų | 40.9 | 3% | 0.028 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.7 | -36 | 177.1 | -55.5 | 0 | 0 | 0 | 0 | 112.1 | D431 Y507 E509 R515 | D431-S511 PolarHBondContact OD1-OG 2.83Å; Y507-S511 PolarHBondContact O-N 3.18Å; Y507-S511 PolarHBondContact O-OG 3.39Å; E509-S511 PolarHBondContact O-N 3.07Å; S511-R515 WeakPolarHBondContact O-CG 3.2Å; S511-R515 PolarHBondContact O-N 2.86Å; S511-R515 VanDerWaalsContact O-N 3.14Å; S511-R515 PolarHBondContact O-NE 3.25Å |
| 512 | V | 95.9 | Very high | 94.2 | Very high | 35 Ų | 35 | 37.8 Ų | 37.8 | 21% | 0.212 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.3 | -48.9 | 173.4 | 173.8 | 0 | 0 | 0 | 0 | 110.7 | E509 L510 G514 R515 L516 L531 L534 W535 | E509-V512 PolarHBondContact O-N 3.41Å; L510-V512 VanDerWaalsContact C-N 3.31Å; L510-V512 PolarHBondContact O-N 3.12Å; V512-G514 VanDerWaalsContact C-N 3.34Å; V512-G514 PolarHBondContact O-N 2.88Å; V512-R515 PolarHBondContact O-N 3.17Å; V512-L516 HydrophobicContact CG1-CD1 4.21Å; V512-L516 HydrophobicContact CG1-CG 4.47Å; V512-L516 WeakPolarHBondContact O-CG 3.38Å; V512-L516 PolarHBondContact O-N 3.24Å; V512-L531 HydrophobicContact CG1-CD2 4.08Å; V512-L534 HydrophobicContact CG1-CD2 3.63Å; V512-W535 HydrophobicContact CG1-CZ2 4.37Å |
| 513 | I | 96.8 | Very high | 95 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.1 | -43.7 | 178.7 | -73.6 | 171.5 | 0 | 0 | 0 | 111.1 | M505 E509 L510 L516 R517 M527 L531 W535 F551 | M505-I513 HydrophobicContact CE-CD1 4.47Å; M505-I513 HydrophobicContact SD-CD1 3.93Å; E509-I513 WeakPolarHBondContact O-CG1 3.49Å; E509-I513 PolarHBondContact O-N 3.47Å; L510-I513 PolarHBondContact O-N 3.26Å; I513-L516 PolarHBondContact O-N 3.07Å; I513-R517 VanDerWaalsContact O-CB 3.3Å; I513-R517 WeakPolarHBondContact O-CB 3.47Å; I513-R517 PolarHBondContact O-N 3.12Å; I513-M527 HydrophobicContact CB-SD 4.46Å; I513-M527 HydrophobicContact CG1-SD 4.25Å; I513-M527 HydrophobicContact CG2-CE 3.88Å; I513-M527 HydrophobicContact CG2-SD 3.86Å; I513-L531 HydrophobicContact CG1-CD1 4.36Å; I513-W535 HydrophobicContact CD1-CH2 4.1Å; I513-W535 HydrophobicContact CG1-CH2 4.18Å; I513-F551 HydrophobicContact CD1-CB 4.44Å; I513-F551 HydrophobicContact CD1-CG 4.46Å; I513-F551 HydrophobicContact CG2-CD1 3.52Å; I513-F551 HydrophobicContact CG2-CD2 3.62Å; I513-F551 HydrophobicContact CG2-CE1 3.39Å; I513-F551 HydrophobicContact CG2-CE2 3.48Å; I513-F551 VanDerWaalsContact CG2-CE2 3.48Å; I513-F551 HydrophobicContact CG2-CG 3.64Å; I513-F551 HydrophobicContact CG2-CZ 3.37Å |
| 514 | G | 96.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -58.3 | -48.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L510 V512 R517 K518 | L510-G514 PolarHBondContact O-N 3.11Å; V512-G514 VanDerWaalsContact C-N 3.34Å; V512-G514 PolarHBondContact O-N 2.88Å; G514-R517 PolarHBondContact O-N 3.1Å; G514-K518 WeakPolarHBondContact O-CB 3.29Å; G514-K518 PolarHBondContact O-N 2.94Å |
| 515 | R | 97.2 | Very high | 96 | Very high | 99 Ų | 99 | 36.1 Ų | 36.1 | 37% | 0.374 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -61.8 | -45.3 | 174.5 | -72.2 | -173.7 | -82.4 | -99.9 | 1.5 | 112.2 | S511 V512 R517 K518 I519 S520 Y574 | S511-R515 WeakPolarHBondContact O-CG 3.2Å; S511-R515 PolarHBondContact O-N 2.86Å; S511-R515 VanDerWaalsContact O-N 3.14Å; S511-R515 PolarHBondContact O-NE 3.25Å; V512-R515 PolarHBondContact O-N 3.17Å; R515-R517 VanDerWaalsContact C-N 3.35Å; R515-R517 PolarHBondContact O-N 2.82Å; R515-K518 PolarHBondContact O-N 2.87Å; R515-I519 HydrophobicContact CB-CD1 4.06Å; R515-I519 HydrophobicContact CG-CD1 3.77Å; R515-I519 WeakPolarHBondContact O-CA 3.39Å; R515-I519 VanDerWaalsContact O-CB 3.25Å; R515-I519 WeakPolarHBondContact O-CB 3.48Å; R515-I519 PolarHBondContact O-N 2.86Å; R515-S520 PolarHBondContact O-N 2.83Å; R515-S520 VanDerWaalsContact O-N 3.11Å; R515-Y574 HydrophobicContact CG-CD1 3.66Å; R515-Y574 HydrophobicContact CG-CE1 4.09Å; R515-Y574 HydrophobicContact CG-CG 4.11Å |
| 516 | L | 98.3 | Very high | 96.4 | Very high | 19 Ų | 19 | 38.1 Ų | 38.1 | 10% | 0.099 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.5 | -43.9 | 176.6 | -72.8 | -179.6 | 0 | 0 | 0 | 112.2 | V512 I513 S520 K521 C522 M527 K530 L531 | V512-L516 HydrophobicContact CG1-CD1 4.21Å; V512-L516 HydrophobicContact CG1-CG 4.47Å; V512-L516 WeakPolarHBondContact O-CG 3.38Å; V512-L516 PolarHBondContact O-N 3.24Å; I513-L516 PolarHBondContact O-N 3.07Å; L516-S520 CarbonylContact O-C 3.59Å; L516-S520 VanDerWaalsContact O-C 3.31Å; L516-S520 WeakPolarHBondContact O-CB 3.37Å; L516-K521 PolarHBondContact O-N 2.85Å; L516-C522 HydrophobicContact CB-CB 4.5Å; L516-C522 VanDerWaalsContact O-CB 3.31Å; L516-C522 WeakPolarHBondContact O-CB 3.38Å; L516-C522 PolarHBondContact O-N 2.98Å; L516-M527 HydrophobicContact CB-CE 4.19Å; L516-M527 HydrophobicContact CB-CG 4.45Å; L516-M527 HydrophobicContact CD1-CG 4.09Å; L516-K530 HydrophobicContact CD1-CB 4.49Å; L516-K530 HydrophobicContact CD2-CD 3.75Å; L516-L531 HydrophobicContact CD1-CD1 4.33Å; L516-L531 HydrophobicContact CD1-CD2 3.5Å; L516-L531 VanDerWaalsContact CD1-CD2 3.5Å; L516-L531 HydrophobicContact CD1-CG 3.74Å |
| 517 | R | 98.4 | Very high | 96.7 | Very high | 3 Ų | 3 | 33.9 Ų | 33.9 | 1% | 0.011 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.1 | -50.3 | 178.7 | 178.1 | -170.5 | 164.6 | -79.8 | -5.9 | 111.9 | I513 G514 R515 K521 M527 Y555 D582 | I513-R517 VanDerWaalsContact O-CB 3.3Å; I513-R517 WeakPolarHBondContact O-CB 3.47Å; I513-R517 PolarHBondContact O-N 3.12Å; G514-R517 PolarHBondContact O-N 3.1Å; R515-R517 VanDerWaalsContact C-N 3.35Å; R515-R517 PolarHBondContact O-N 2.82Å; R517-K521 WeakPolarHBondContact O-CA 3.27Å; R517-M527 HydrophobicContact CB-CE 3.87Å; R517-Y555 VanDerWaalsContact NH2-CZ 3.32Å; R517-Y555 PolarHBondContact NH2-OH 3.01Å; R517-D582 IonicContact CZ-OD2 2.83Å; R517-D582 IonicContact NH1-OD1 3.92Å; R517-D582 IonicContact NH1-OD2 3.43Å; R517-D582 PolarHBondContact NH1-OD2 2.85Å; R517-D582 IonicContact NH2-OD1 2.74Å; R517-D582 IonicContact NH2-OD2 2.72Å; R517-D582 PolarHBondContact NH2-OD2 2.8Å |
| 518 | K | 97.8 | Very high | 97 | Very high | 26 Ų | 26 | 33.8 Ų | 33.8 | 11% | 0.113 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -96.3 | -40.3 | -168 | -174.9 | 54 | 171.8 | -178.2 | 0 | 113.8 | G514 R515 K521 F581 D582 | G514-K518 WeakPolarHBondContact O-CB 3.29Å; G514-K518 PolarHBondContact O-N 2.94Å; R515-K518 PolarHBondContact O-N 2.87Å; K518-K521 WeakPolarHBondContact O-CD 3.42Å; K518-K521 VanDerWaalsContact O-CE 3.31Å; K518-K521 WeakPolarHBondContact O-CE 3.33Å; K518-K521 PolarHBondContact O-NZ 2.92Å; K518-F581 HydrophobicContact CD-CE1 4.41Å; K518-F581 HydrophobicContact CG-CE1 4.18Å; K518-F581 PolarHBondContact NZ-O 3.49Å; K518-D582 HydrophobicContact CD-CB 4.44Å; K518-D582 WeakPolarHBondContact CD-OD1 3.36Å; K518-D582 VanDerWaalsContact NZ-CA 3.34Å; K518-D582 IonicContact NZ-OD1 3.83Å; K518-D582 PolarHBondContact NZ-OD1 3.27Å |
| 519 | I | 96.6 | Very high | 97.2 | Very high | 72 Ų | 72 | 32.9 Ų | 32.9 | 37% | 0.369 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | -56.7 | 179.6 | -54.8 | 177.2 | 0 | 0 | 0 | 109.2 | R515 K521 S573 | R515-I519 HydrophobicContact CB-CD1 4.06Å; R515-I519 HydrophobicContact CG-CD1 3.77Å; R515-I519 WeakPolarHBondContact O-CA 3.39Å; R515-I519 VanDerWaalsContact O-CB 3.25Å; R515-I519 WeakPolarHBondContact O-CB 3.48Å; R515-I519 PolarHBondContact O-N 2.86Å; I519-K521 PolarHBondContact O-N 2.82Å; I519-K521 PolarHBondContact O-NZ 3.4Å; I519-S573 WeakPolarHBondContact CD1-OG 3.49Å |
| 520 | S | 97.6 | Very high | 97.4 | Very high | 60 Ų | 60 | 37.3 Ų | 37.3 | 42% | 0.42 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -79.2 | 2.3 | -179.3 | -47.5 | 0 | 0 | 0 | 0 | 114.2 | R515 L516 C522 | R515-S520 PolarHBondContact O-N 2.83Å; R515-S520 VanDerWaalsContact O-N 3.11Å; L516-S520 CarbonylContact O-C 3.59Å; L516-S520 VanDerWaalsContact O-C 3.31Å; L516-S520 WeakPolarHBondContact O-CB 3.37Å; S520-C522 PolarHBondContact O-N 3.35Å; S520-C522 VanDerWaalsContact O-N 3.15Å; S520-C522 PolarHBondContact O-SG 3.06Å; S520-C522 VanDerWaalsContact O-SG 3.41Å |
| 521 | K | 97.8 | Very high | 97.6 | Very high | 149 Ų | 149 | 37.2 Ų | 37.2 | 65% | 0.648 | 19% | 0.194 | S | C | * | . | trans | 54.9 | 32.4 | 175 | -50.5 | -62 | -179.8 | -74.9 | 0 | 114 | L516 R517 K518 I519 | L516-K521 PolarHBondContact O-N 2.85Å; R517-K521 WeakPolarHBondContact O-CA 3.27Å; K518-K521 WeakPolarHBondContact O-CD 3.42Å; K518-K521 VanDerWaalsContact O-CE 3.31Å; K518-K521 WeakPolarHBondContact O-CE 3.33Å; K518-K521 PolarHBondContact O-NZ 2.92Å; I519-K521 PolarHBondContact O-N 2.82Å; I519-K521 PolarHBondContact O-NZ 3.4Å | ||
| 522 | C | 98.5 | Very high | 97.7 | Very high | 9 Ų | 9 | 38.2 Ų | 38.2 | 6% | 0.061 | 20% | 0.199 | C | C | . | . | trans | -79.6 | 134.1 | -176.8 | -64.5 | 0 | 0 | 0 | 0 | 112.4 | L516 S520 S526 M527 | L516-C522 HydrophobicContact CB-CB 4.5Å; L516-C522 VanDerWaalsContact O-CB 3.31Å; L516-C522 WeakPolarHBondContact O-CB 3.38Å; L516-C522 PolarHBondContact O-N 2.98Å; S520-C522 PolarHBondContact O-N 3.35Å; S520-C522 VanDerWaalsContact O-N 3.15Å; S520-C522 PolarHBondContact O-SG 3.06Å; S520-C522 VanDerWaalsContact O-SG 3.41Å; C522-S526 WeakPolarHBondContact CA-OG 3.45Å; C522-M527 HydrophobicContact CB-CB 4Å | ||
| 523 | G | 98.3 | Very high | 97.7 | Very high | 28 Ų | 28 | 43 Ų | 43 | 29% | 0.289 | 22% | 0.219 | S | C | . | . | trans | -88.1 | -171.8 | 161.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | F525 S526 M527 | G523-F525 PolarHBondContact O-N 2.94Å; G523-S526 PolarHBondContact N-OG 2.92Å; G523-S526 PolarHBondContact O-OG 3.45Å; G523-M527 WeakPolarHBondContact O-CB 3.15Å; G523-M527 PolarHBondContact O-N 3.48Å | ||
| 524 | P | 98.6 | Very high | 97.6 | Very high | 7 Ų | 7 | 47.9 Ų | 47.9 | 5% | 0.045 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -56.9 | -51.9 | -175.2 | -21.5 | 29 | 0 | 0 | 0 | 113.5 | M527 F528 V548 F552 W592 Q595 F596 I599 | P524-M527 PolarHBondContact O-N 3.31Å; P524-F528 PolarHBondContact O-N 3.49Å; P524-V548 HydrophobicContact CB-CG1 4.4Å; P524-V548 WeakPolarHBondContact O-CG1 3.46Å; P524-F552 VanDerWaalsContact CA-CE2 3.45Å; P524-F552 HydrophobicContact CB-CD2 3.87Å; P524-F552 HydrophobicContact CB-CE2 4.05Å; P524-F552 HydrophobicContact CB-CG 4.19Å; P524-F552 HydrophobicContact CG-CB 4.4Å; P524-F552 HydrophobicContact CG-CD1 3.79Å; P524-F552 HydrophobicContact CG-CD2 3.9Å; P524-F552 HydrophobicContact CG-CE1 3.96Å; P524-F552 HydrophobicContact CG-CE2 4.08Å; P524-F552 HydrophobicContact CG-CG 3.76Å; P524-F552 HydrophobicContact CG-CZ 4.11Å; P524-W592 HydrophobicContact CG-CD2 4.27Å; P524-W592 HydrophobicContact CG-CE3 3.8Å; P524-W592 HydrophobicContact CG-CZ3 4.16Å; P524-Q595 HydrophobicContact CB-CB 3.99Å; P524-Q595 HydrophobicContact CG-CB 3.89Å; P524-Q595 HydrophobicContact CG-CG 4.16Å; P524-F596 HydrophobicContact CB-CD1 4.36Å; P524-F596 HydrophobicContact CB-CE1 4.11Å; P524-F596 HydrophobicContact CG-CE1 4.46Å; P524-I599 HydrophobicContact CB-CD1 4.21Å |
| 525 | F | 98.6 | Very high | 97.6 | Very high | 74 Ų | 74 | 49.3 Ų | 49.3 | 33% | 0.325 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -65.8 | -48 | -176.9 | -176.3 | -105.5 | 0 | 0 | 0 | 112.7 | G523 M527 F528 C529 C598 I599 Q602 | G523-F525 PolarHBondContact O-N 2.94Å; F525-M527 VanDerWaalsContact C-N 3.28Å; F525-M527 PolarHBondContact O-N 3.04Å; F525-F528 WeakPolarHBondContact O-CB 3.26Å; F525-F528 PolarHBondContact O-N 2.79Å; F525-C529 PolarHBondContact O-N 2.94Å; F525-C529 PolarHBondContact O-SG 3.22Å; F525-C529 VanDerWaalsContact O-SG 3.32Å; F525-C598 HydrophobicContact CD2-CB 3.7Å; F525-C598 HydrophobicContact CE2-CB 4.08Å; F525-C598 WeakPolarHBondContact CE2-O 3.49Å; F525-C598 HydrophobicContact CG-CB 4.25Å; F525-I599 HydrophobicContact CB-CG1 4.47Å; F525-I599 HydrophobicContact CD2-CG1 3.93Å; F525-Q602 HydrophobicContact CE2-CB 3.95Å; F525-Q602 HydrophobicContact CE2-CG 4.35Å; F525-Q602 HydrophobicContact CZ-CB 4.49Å |
| 526 | S | 98.5 | Very high | 97.5 | Very high | 50 Ų | 50 | 52.9 Ų | 52.9 | 35% | 0.35 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -67.2 | -29.8 | 179.4 | 53.4 | 0 | 0 | 0 | 0 | 113 | C522 G523 K530 | C522-S526 WeakPolarHBondContact CA-OG 3.45Å; G523-S526 PolarHBondContact N-OG 2.92Å; G523-S526 PolarHBondContact O-OG 3.45Å; S526-K530 WeakPolarHBondContact O-CG 3.22Å; S526-K530 PolarHBondContact O-N 2.92Å |
| 527 | M | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -66.6 | -46.7 | 171.3 | -174.7 | -179.4 | -68.1 | 0 | 0 | 111.1 | I513 L516 R517 C522 G523 P524 F525 C529 K530 L531 V548 F551 F552 | I513-M527 HydrophobicContact CB-SD 4.46Å; I513-M527 HydrophobicContact CG1-SD 4.25Å; I513-M527 HydrophobicContact CG2-CE 3.88Å; I513-M527 HydrophobicContact CG2-SD 3.86Å; L516-M527 HydrophobicContact CB-CE 4.19Å; L516-M527 HydrophobicContact CB-CG 4.45Å; L516-M527 HydrophobicContact CD1-CG 4.09Å; R517-M527 HydrophobicContact CB-CE 3.87Å; C522-M527 HydrophobicContact CB-CB 4Å; G523-M527 WeakPolarHBondContact O-CB 3.15Å; G523-M527 PolarHBondContact O-N 3.48Å; P524-M527 PolarHBondContact O-N 3.31Å; F525-M527 VanDerWaalsContact C-N 3.28Å; F525-M527 PolarHBondContact O-N 3.04Å; M527-C529 PolarHBondContact O-N 3.4Å; M527-K530 PolarHBondContact O-N 3.39Å; M527-L531 HydrophobicContact CG-CD1 3.65Å; M527-L531 HydrophobicContact CG-CG 4.19Å; M527-L531 WeakPolarHBondContact O-CB 3.27Å; M527-L531 WeakPolarHBondContact O-CG 3.48Å; M527-L531 PolarHBondContact O-N 3.41Å; M527-L531 HydrophobicContact SD-CD1 4.24Å; M527-V548 HydrophobicContact CG-CG2 4.23Å; M527-V548 HydrophobicContact SD-CG2 4.38Å; M527-F551 HydrophobicContact CE-CE1 4.27Å; M527-F551 HydrophobicContact SD-CD1 4.39Å; M527-F552 HydrophobicContact CB-CE2 4.33Å; M527-F552 HydrophobicContact CE-CE2 3.65Å; M527-F552 HydrophobicContact CE-CZ 3.77Å; M527-F552 HydrophobicContact SD-CE2 3.64Å; M527-F552 HydrophobicContact SD-CZ 4.37Å |
| 528 | F | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -54 | -52.5 | 173.7 | 165.6 | -104.5 | 0 | 0 | 0 | 111.5 | P524 F525 K530 L531 I532 P541 V544 A545 V548 I599 Q602 I603 M606 | P524-F528 PolarHBondContact O-N 3.49Å; F525-F528 WeakPolarHBondContact O-CB 3.26Å; F525-F528 PolarHBondContact O-N 2.79Å; F528-K530 PolarHBondContact O-N 3.06Å; F528-K530 VanDerWaalsContact O-N 3.15Å; F528-L531 PolarHBondContact O-N 2.87Å; F528-L531 VanDerWaalsContact O-N 3.09Å; F528-I532 HydrophobicContact CD2-CG2 3.79Å; F528-I532 HydrophobicContact CE1-CG2 4.31Å; F528-I532 HydrophobicContact CE2-CG2 3.33Å; F528-I532 HydrophobicContact CG-CG2 4.44Å; F528-I532 HydrophobicContact CZ-CG2 3.64Å; F528-I532 WeakPolarHBondContact O-CG2 3.43Å; F528-I532 PolarHBondContact O-N 2.65Å; F528-P541 WeakPolarHBondContact CE2-O 3.43Å; F528-V544 HydrophobicContact CD2-CB 4.5Å; F528-V544 HydrophobicContact CD2-CG1 4Å; F528-V544 HydrophobicContact CE2-CG1 4.49Å; F528-A545 HydrophobicContact CD2-CB 3.98Å; F528-A545 HydrophobicContact CE2-CB 3.83Å; F528-V548 HydrophobicContact CB-CG1 4.42Å; F528-V548 HydrophobicContact CB-CG2 4.36Å; F528-I599 HydrophobicContact CB-CD1 4.07Å; F528-I599 HydrophobicContact CB-CG1 4.04Å; F528-I599 HydrophobicContact CD1-CB 4.5Å; F528-I599 HydrophobicContact CD1-CG1 4.2Å; F528-I599 HydrophobicContact CD1-CG2 4.07Å; F528-I599 HydrophobicContact CD2-CG2 3.94Å; F528-I599 HydrophobicContact CE1-CG2 4.24Å; F528-I599 HydrophobicContact CE2-CG2 4.13Å; F528-I599 HydrophobicContact CG-CG1 4.14Å; F528-I599 HydrophobicContact CG-CG2 3.91Å; F528-I599 HydrophobicContact CZ-CG2 4.28Å; F528-Q602 HydrophobicContact CE1-CB 4.06Å; F528-Q602 HydrophobicContact CE1-CG 3.94Å; F528-I603 HydrophobicContact CE2-CD1 4.3Å; F528-I603 HydrophobicContact CE2-CG1 4.23Å; F528-I603 HydrophobicContact CZ-CD1 4.27Å; F528-I603 HydrophobicContact CZ-CG1 3.74Å; F528-M606 HydrophobicContact CE1-CE 4.05Å; F528-M606 HydrophobicContact CZ-CE 3.79Å |
| 529 | C | 97.8 | Very high | 96.9 | Very high | 41 Ų | 41 | 64 Ų | 64 | 28% | 0.277 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -58.4 | -30.2 | 179.3 | -63.8 | 0 | 0 | 0 | 0 | 113.8 | F525 M527 I532 H533 | F525-C529 PolarHBondContact O-N 2.94Å; F525-C529 PolarHBondContact O-SG 3.22Å; F525-C529 VanDerWaalsContact O-SG 3.32Å; M527-C529 PolarHBondContact O-N 3.4Å; C529-I532 VanDerWaalsContact O-CG1 3.25Å; C529-I532 WeakPolarHBondContact O-CG1 3.32Å; C529-H533 PolarHBondContact O-CD2 3.19Å |
| 530 | K | 97.7 | Very high | 96.8 | Very high | 106 Ų | 106 | 62.8 Ų | 62.8 | 46% | 0.461 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -78.4 | -43.7 | 174.7 | -74.6 | -177.6 | 178.8 | -70.2 | 0 | 112 | L516 S526 M527 F528 H533 L534 | L516-K530 HydrophobicContact CD1-CB 4.49Å; L516-K530 HydrophobicContact CD2-CD 3.75Å; S526-K530 WeakPolarHBondContact O-CG 3.22Å; S526-K530 PolarHBondContact O-N 2.92Å; M527-K530 PolarHBondContact O-N 3.39Å; F528-K530 PolarHBondContact O-N 3.06Å; F528-K530 VanDerWaalsContact O-N 3.15Å; K530-H533 PolarHBondContact O-N 3.45Å; K530-L534 PolarHBondContact O-N 3.16Å |
| 531 | L | 97.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -71.5 | -29.7 | -174.4 | -71.1 | 176.8 | 0 | 0 | 0 | 113.1 | V512 I513 L516 M527 F528 H533 L534 W535 V544 V548 | V512-L531 HydrophobicContact CG1-CD2 4.08Å; I513-L531 HydrophobicContact CG1-CD1 4.36Å; L516-L531 HydrophobicContact CD1-CD1 4.33Å; L516-L531 HydrophobicContact CD1-CD2 3.5Å; L516-L531 VanDerWaalsContact CD1-CD2 3.5Å; L516-L531 HydrophobicContact CD1-CG 3.74Å; M527-L531 HydrophobicContact CG-CD1 3.65Å; M527-L531 HydrophobicContact CG-CG 4.19Å; M527-L531 WeakPolarHBondContact O-CB 3.27Å; M527-L531 WeakPolarHBondContact O-CG 3.48Å; M527-L531 PolarHBondContact O-N 3.41Å; M527-L531 HydrophobicContact SD-CD1 4.24Å; F528-L531 PolarHBondContact O-N 2.87Å; F528-L531 VanDerWaalsContact O-N 3.09Å; L531-H533 PolarHBondContact O-N 2.84Å; L531-L534 HydrophobicContact CD2-CB 4.5Å; L531-L534 HydrophobicContact CD2-CD2 4.03Å; L531-L534 PolarHBondContact O-N 3.27Å; L531-W535 HydrophobicContact CB-CD2 4.4Å; L531-W535 HydrophobicContact CB-CE3 4.04Å; L531-W535 HydrophobicContact CB-CZ3 4.4Å; L531-W535 HydrophobicContact CD1-CE3 4.18Å; L531-W535 HydrophobicContact CD1-CH2 3.88Å; L531-W535 HydrophobicContact CD1-CZ2 4.5Å; L531-W535 HydrophobicContact CD1-CZ3 3.69Å; L531-W535 HydrophobicContact CD2-CD2 3.86Å; L531-W535 HydrophobicContact CD2-CE3 4.04Å; L531-W535 HydrophobicContact CD2-CH2 3.95Å; L531-W535 HydrophobicContact CD2-CZ2 3.74Å; L531-W535 HydrophobicContact CD2-CZ3 4.1Å; L531-W535 HydrophobicContact CG-CE3 4.32Å; L531-W535 HydrophobicContact CG-CH2 4.49Å; L531-W535 HydrophobicContact CG-CZ3 4.29Å; L531-W535 WeakPolarHBondContact O-CB 3.45Å; L531-W535 PolarHBondContact O-N 3.25Å; L531-V544 HydrophobicContact CB-CG1 3.44Å; L531-V544 VanDerWaalsContact CB-CG1 3.44Å; L531-V548 HydrophobicContact CD1-CG2 3.68Å |
| 532 | I | 96.7 | Very high | 96.7 | Very high | 25 Ų | 25 | 59.4 Ų | 59.4 | 13% | 0.128 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60.1 | -26.9 | 173.5 | 60.2 | 173.6 | 0 | 0 | 0 | 112.7 | F528 C529 R536 P541 V544 M606 | F528-I532 HydrophobicContact CD2-CG2 3.79Å; F528-I532 HydrophobicContact CE1-CG2 4.31Å; F528-I532 HydrophobicContact CE2-CG2 3.33Å; F528-I532 HydrophobicContact CG-CG2 4.44Å; F528-I532 HydrophobicContact CZ-CG2 3.64Å; F528-I532 WeakPolarHBondContact O-CG2 3.43Å; F528-I532 PolarHBondContact O-N 2.65Å; C529-I532 VanDerWaalsContact O-CG1 3.25Å; C529-I532 WeakPolarHBondContact O-CG1 3.32Å; I532-R536 VanDerWaalsContact O-CB 3.23Å; I532-R536 WeakPolarHBondContact O-CB 3.3Å; I532-P541 HydrophobicContact CG2-CB 4.19Å; I532-V544 HydrophobicContact CG2-CB 4.2Å; I532-V544 HydrophobicContact CG2-CG1 4.05Å; I532-M606 HydrophobicContact CD1-CE 3.63Å |
| 533 | H | 95.8 | Very high | 96.6 | Very high | 134 Ų | 134 | 62.9 Ų | 62.9 | 62% | 0.62 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -89.7 | -41.7 | 175.6 | -63.8 | -54.3 | 0 | 0 | 0 | 111.4 | C529 K530 L531 W535 | C529-H533 PolarHBondContact O-CD2 3.19Å; K530-H533 PolarHBondContact O-N 3.45Å; L531-H533 PolarHBondContact O-N 2.84Å; H533-W535 VanDerWaalsContact C-N 3.35Å; H533-W535 PolarHBondContact O-N 2.79Å |
| 534 | L | 95.1 | Very high | 96.6 | Very high | 104 Ų | 104 | 61.6 Ų | 61.6 | 55% | 0.545 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -67.9 | -34.3 | -178.1 | -170.8 | 65.7 | 0 | 0 | 0 | 112.9 | V512 K530 L531 | V512-L534 HydrophobicContact CG1-CD2 3.63Å; K530-L534 PolarHBondContact O-N 3.16Å; L531-L534 HydrophobicContact CD2-CB 4.5Å; L531-L534 HydrophobicContact CD2-CD2 4.03Å; L531-L534 PolarHBondContact O-N 3.27Å |
| 535 | W | 96.5 | Very high | 96.6 | Very high | 30 Ų | 30 | 61.4 Ų | 61.4 | 11% | 0.114 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.7 | 14.9 | -178.1 | -63 | -21.6 | 0 | 0 | 0 | 113 | E509 V512 I513 L531 H533 D537 V538 L539 V544 K547 | E509-W535 HydrophobicContact CB-CH2 4.13Å; E509-W535 HydrophobicContact CB-CZ2 4.13Å; E509-W535 HydrophobicContact CG-CH2 4.31Å; E509-W535 HydrophobicContact CG-CZ2 4.19Å; V512-W535 HydrophobicContact CG1-CZ2 4.37Å; I513-W535 HydrophobicContact CD1-CH2 4.1Å; I513-W535 HydrophobicContact CG1-CH2 4.18Å; L531-W535 HydrophobicContact CB-CD2 4.4Å; L531-W535 HydrophobicContact CB-CE3 4.04Å; L531-W535 HydrophobicContact CB-CZ3 4.4Å; L531-W535 HydrophobicContact CD1-CE3 4.18Å; L531-W535 HydrophobicContact CD1-CH2 3.88Å; L531-W535 HydrophobicContact CD1-CZ2 4.5Å; L531-W535 HydrophobicContact CD1-CZ3 3.69Å; L531-W535 HydrophobicContact CD2-CD2 3.86Å; L531-W535 HydrophobicContact CD2-CE3 4.04Å; L531-W535 HydrophobicContact CD2-CH2 3.95Å; L531-W535 HydrophobicContact CD2-CZ2 3.74Å; L531-W535 HydrophobicContact CD2-CZ3 4.1Å; L531-W535 HydrophobicContact CG-CE3 4.32Å; L531-W535 HydrophobicContact CG-CH2 4.49Å; L531-W535 HydrophobicContact CG-CZ3 4.29Å; L531-W535 WeakPolarHBondContact O-CB 3.45Å; L531-W535 PolarHBondContact O-N 3.25Å; H533-W535 VanDerWaalsContact C-N 3.35Å; H533-W535 PolarHBondContact O-N 2.79Å; W535-D537 PolarHBondContact O-N 2.86Å; W535-D537 VanDerWaalsContact O-N 3.09Å; W535-V538 PolarHBondContact O-N 3.08Å; W535-L539 HydrophobicContact CB-CB 4.27Å; W535-L539 HydrophobicContact CB-CD1 4.2Å; W535-L539 HydrophobicContact CB-CG 4.47Å; W535-L539 HydrophobicContact CD2-CD1 4.09Å; W535-L539 HydrophobicContact CE3-CD1 3.61Å; W535-L539 HydrophobicContact CG-CD1 4.39Å; W535-L539 HydrophobicContact CZ3-CD1 4.23Å; W535-L539 PolarHBondContact O-N 2.93Å; W535-V544 HydrophobicContact CB-CG2 4.4Å; W535-V544 HydrophobicContact CE3-CG1 4.46Å; W535-V544 HydrophobicContact CE3-CG2 4.22Å; W535-K547 HydrophobicContact CZ3-CB 4.5Å; W535-K547 HydrophobicContact CZ3-CD 4.05Å |
| 536 | R | 93.6 | Very high | 96.5 | Very high | 174 Ų | 174 | 63.8 Ų | 63.8 | 66% | 0.657 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -32.2 | -173.7 | 79.1 | -175.9 | -161.5 | 174.2 | 3.8 | 113.7 | I532 V538 | I532-R536 VanDerWaalsContact O-CB 3.23Å; I532-R536 WeakPolarHBondContact O-CB 3.3Å; R536-V538 VanDerWaalsContact C-N 3.33Å |
| 537 | D | 93.9 | Very high | 96.4 | Very high | 131 Ų | 131 | 63.6 Ų | 63.6 | 70% | 0.701 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -9.5 | -175.4 | -51.5 | -48.3 | 0 | 0 | 0 | 111.9 | W535 | W535-D537 PolarHBondContact O-N 2.86Å; W535-D537 VanDerWaalsContact O-N 3.09Å |
| 538 | V | 94.1 | Very high | 96.4 | Very high | 122 Ų | 122 | 63.6 Ų | 63.6 | 74% | 0.739 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.5 | -31.6 | -174 | -169.9 | 0 | 0 | 0 | 0 | 112.1 | W535 R536 | W535-V538 PolarHBondContact O-N 3.08Å; R536-V538 VanDerWaalsContact C-N 3.33Å |
| 539 | L | 94.4 | Very high | 96.4 | Very high | 27 Ų | 27 | 65.7 Ų | 65.7 | 14% | 0.141 | 33% | 0.327 | C | S | . | . | trans | -136 | 137.7 | -173.2 | -62.6 | 175.6 | 0 | 0 | 0 | 111.4 | W535 Q543 V544 K547 | W535-L539 HydrophobicContact CB-CB 4.27Å; W535-L539 HydrophobicContact CB-CD1 4.2Å; W535-L539 HydrophobicContact CB-CG 4.47Å; W535-L539 HydrophobicContact CD2-CD1 4.09Å; W535-L539 HydrophobicContact CE3-CD1 3.61Å; W535-L539 HydrophobicContact CG-CD1 4.39Å; W535-L539 HydrophobicContact CZ3-CD1 4.23Å; W535-L539 PolarHBondContact O-N 2.93Å; L539-Q543 HydrophobicContact CB-CB 4.24Å; L539-Q543 HydrophobicContact CD2-CB 4.18Å; L539-V544 HydrophobicContact CB-CG2 3.88Å; L539-V544 HydrophobicContact CD1-CG2 4.48Å; L539-K547 HydrophobicContact CD1-CD 3.8Å | ||
| 540 | S | 95.5 | Very high | 96.4 | Very high | 47 Ų | 47 | 66.9 Ų | 66.9 | 33% | 0.329 | 33% | 0.328 | S | S | . | . | trans | -67.8 | 156.5 | 169.2 | 65.2 | 0 | 0 | 0 | 0 | 111.7 | I542 Q543 V544 | S540-I542 PolarHBondContact O-N 3.34Å; S540-I542 VanDerWaalsContact O-N 3.12Å; S540-Q543 PolarHBondContact O-N 3.43Å; S540-Q543 WeakPolarHBondContact OG-CG 3.25Å; S540-Q543 PolarHBondContact OG-N 3.47Å; S540-Q543 PolarHBondContact OG-OE1 3.38Å; S540-V544 WeakPolarHBondContact O-CG2 3.43Å; S540-V544 PolarHBondContact O-N 2.78Å | ||
| 541 | P | 96.4 | Very high | 96.4 | Very high | 41 Ų | 41 | 62 Ų | 62 | 27% | 0.266 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -53.1 | -35.2 | 174.9 | -28 | 35.5 | 0 | 0 | 0 | 113.8 | F528 I532 V544 A545 M606 | F528-P541 WeakPolarHBondContact CE2-O 3.43Å; I532-P541 HydrophobicContact CG2-CB 4.19Å; P541-V544 PolarHBondContact O-N 3.05Å; P541-A545 PolarHBondContact O-N 2.99Å; P541-M606 HydrophobicContact CB-CE 4.46Å; P541-M606 HydrophobicContact CB-SD 3.63Å; P541-M606 HydrophobicContact CG-SD 3.8Å |
| 542 | I | 96.9 | Very high | 96.4 | Very high | 97 Ų | 97 | 62.3 Ų | 62.3 | 50% | 0.497 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -65 | -46.7 | 177.3 | -62.9 | 172.5 | 0 | 0 | 0 | 110.9 | S540 V544 A545 Q546 I603 | S540-I542 PolarHBondContact O-N 3.34Å; S540-I542 VanDerWaalsContact O-N 3.12Å; I542-V544 VanDerWaalsContact C-N 3.33Å; I542-V544 PolarHBondContact O-N 3.37Å; I542-A545 PolarHBondContact O-N 3.23Å; I542-Q546 WeakPolarHBondContact O-CG 3.24Å; I542-Q546 PolarHBondContact O-N 2.68Å; I542-I603 HydrophobicContact CG1-CG2 4.01Å |
| 543 | Q | 96.4 | Very high | 96.5 | Very high | 83 Ų | 83 | 67.9 Ų | 67.9 | 39% | 0.388 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -64 | -39 | 177.4 | -72.1 | 164.8 | -49.8 | 0 | 0 | 111.6 | L539 S540 Q546 K547 | L539-Q543 HydrophobicContact CB-CB 4.24Å; L539-Q543 HydrophobicContact CD2-CB 4.18Å; S540-Q543 PolarHBondContact O-N 3.43Å; S540-Q543 WeakPolarHBondContact OG-CG 3.25Å; S540-Q543 PolarHBondContact OG-N 3.47Å; S540-Q543 PolarHBondContact OG-OE1 3.38Å; Q543-Q546 PolarHBondContact O-N 3.01Å; Q543-K547 PolarHBondContact O-N 3.24Å |
| 544 | V | 97.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -60.8 | -46.7 | 174.1 | 177.9 | 0 | 0 | 0 | 0 | 110.7 | F528 L531 I532 W535 L539 S540 P541 I542 Q546 K547 V548 | F528-V544 HydrophobicContact CD2-CB 4.5Å; F528-V544 HydrophobicContact CD2-CG1 4Å; F528-V544 HydrophobicContact CE2-CG1 4.49Å; L531-V544 HydrophobicContact CB-CG1 3.44Å; L531-V544 VanDerWaalsContact CB-CG1 3.44Å; I532-V544 HydrophobicContact CG2-CB 4.2Å; I532-V544 HydrophobicContact CG2-CG1 4.05Å; W535-V544 HydrophobicContact CB-CG2 4.4Å; W535-V544 HydrophobicContact CE3-CG1 4.46Å; W535-V544 HydrophobicContact CE3-CG2 4.22Å; L539-V544 HydrophobicContact CB-CG2 3.88Å; L539-V544 HydrophobicContact CD1-CG2 4.48Å; S540-V544 WeakPolarHBondContact O-CG2 3.43Å; S540-V544 PolarHBondContact O-N 2.78Å; P541-V544 PolarHBondContact O-N 3.05Å; I542-V544 VanDerWaalsContact C-N 3.33Å; I542-V544 PolarHBondContact O-N 3.37Å; V544-Q546 VanDerWaalsContact C-N 3.35Å; V544-Q546 PolarHBondContact O-N 3.25Å; V544-K547 PolarHBondContact O-N 3.3Å; V544-V548 HydrophobicContact CG1-CG2 4.33Å; V544-V548 WeakPolarHBondContact O-CG2 3.46Å; V544-V548 PolarHBondContact O-N 3.06Å |
| 545 | A | 97.8 | Very high | 96.7 | Very high | 4 Ų | 4 | 60.2 Ų | 60.2 | 3% | 0.033 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.3 | -42.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | F528 P541 I542 K547 V548 K549 I599 I603 | F528-A545 HydrophobicContact CD2-CB 3.98Å; F528-A545 HydrophobicContact CE2-CB 3.83Å; P541-A545 PolarHBondContact O-N 2.99Å; I542-A545 PolarHBondContact O-N 3.23Å; A545-K547 PolarHBondContact O-N 2.92Å; A545-V548 PolarHBondContact O-N 2.72Å; A545-K549 VanDerWaalsContact O-CB 3.32Å; A545-K549 WeakPolarHBondContact O-CB 3.29Å; A545-K549 WeakPolarHBondContact O-CG 3.39Å; A545-K549 PolarHBondContact O-N 3.37Å; A545-I599 HydrophobicContact CB-CG2 3.48Å; A545-I599 VanDerWaalsContact CB-CG2 3.48Å; A545-I603 HydrophobicContact CB-CD1 3.29Å |
| 546 | Q | 97.6 | Very high | 96.8 | Very high | 123 Ų | 123 | 58.9 Ų | 58.9 | 58% | 0.575 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -58.8 | -47.4 | 175.7 | -72.9 | 171.7 | -11.9 | 0 | 0 | 111.3 | I542 Q543 V544 K549 H550 | I542-Q546 WeakPolarHBondContact O-CG 3.24Å; I542-Q546 PolarHBondContact O-N 2.68Å; Q543-Q546 PolarHBondContact O-N 3.01Å; V544-Q546 VanDerWaalsContact C-N 3.35Å; V544-Q546 PolarHBondContact O-N 3.25Å; Q546-K549 PolarHBondContact O-N 3.07Å; Q546-H550 VanDerWaalsContact O-CB 3.29Å; Q546-H550 WeakPolarHBondContact O-CB 3.43Å; Q546-H550 PolarHBondContact O-N 3.34Å |
| 547 | K | 97.1 | Very high | 97 | Very high | 46 Ų | 46 | 53.7 Ų | 53.7 | 20% | 0.2 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.3 | -50 | 176.2 | -76 | -179.3 | 177.3 | -81.9 | 0 | 111.7 | M505 E509 W535 L539 Q543 V544 A545 K549 H550 F551 | M505-K547 HydrophobicContact CE-CB 4.23Å; M505-K547 WeakPolarHBondContact CE-O 3.38Å; E509-K547 WeakPolarHBondContact OE1-CE 3.41Å; E509-K547 IonicContact OE1-NZ 2.7Å; E509-K547 PolarHBondContact OE1-NZ 3.49Å; E509-K547 IonicContact OE2-NZ 3.73Å; E509-K547 PolarHBondContact OE2-NZ 3.43Å; W535-K547 HydrophobicContact CZ3-CB 4.5Å; W535-K547 HydrophobicContact CZ3-CD 4.05Å; L539-K547 HydrophobicContact CD1-CD 3.8Å; Q543-K547 PolarHBondContact O-N 3.24Å; V544-K547 PolarHBondContact O-N 3.3Å; A545-K547 PolarHBondContact O-N 2.92Å; K547-K549 VanDerWaalsContact C-N 3.33Å; K547-K549 PolarHBondContact O-N 3.09Å; K547-H550 PolarHBondContact O-N 3.02Å; K547-F551 PolarHBondContact O-N 3.31Å |
| 548 | V | 98.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -58.4 | -45.6 | 179.2 | 171.3 | 0 | 0 | 0 | 0 | 111.5 | P524 M527 F528 L531 V544 A545 F551 F552 I599 | P524-V548 HydrophobicContact CB-CG1 4.4Å; P524-V548 WeakPolarHBondContact O-CG1 3.46Å; M527-V548 HydrophobicContact CG-CG2 4.23Å; M527-V548 HydrophobicContact SD-CG2 4.38Å; F528-V548 HydrophobicContact CB-CG1 4.42Å; F528-V548 HydrophobicContact CB-CG2 4.36Å; L531-V548 HydrophobicContact CD1-CG2 3.68Å; V544-V548 HydrophobicContact CG1-CG2 4.33Å; V544-V548 WeakPolarHBondContact O-CG2 3.46Å; V544-V548 PolarHBondContact O-N 3.06Å; A545-V548 PolarHBondContact O-N 2.72Å; V548-F551 PolarHBondContact O-N 3.08Å; V548-F552 HydrophobicContact CG1-CD2 3.95Å; V548-F552 HydrophobicContact CG1-CE2 4.19Å; V548-F552 WeakPolarHBondContact O-CD2 3.47Å; V548-F552 PolarHBondContact O-N 3.11Å; V548-I599 HydrophobicContact CG1-CD1 4.1Å |
| 549 | K | 98.3 | Very high | 97.4 | Very high | 44 Ų | 44 | 42.8 Ų | 42.8 | 19% | 0.191 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.7 | -45.3 | 177.9 | -72.4 | 177.9 | 172.5 | -170.1 | 0 | 111.8 | A545 Q546 K547 R553 F596 D600 | A545-K549 VanDerWaalsContact O-CB 3.32Å; A545-K549 WeakPolarHBondContact O-CB 3.29Å; A545-K549 WeakPolarHBondContact O-CG 3.39Å; A545-K549 PolarHBondContact O-N 3.37Å; Q546-K549 PolarHBondContact O-N 3.07Å; K547-K549 VanDerWaalsContact C-N 3.33Å; K547-K549 PolarHBondContact O-N 3.09Å; K549-R553 VanDerWaalsContact O-CB 3.32Å; K549-R553 WeakPolarHBondContact O-CB 3.38Å; K549-R553 PolarHBondContact O-N 3.49Å; K549-F596 HydrophobicContact CB-CD2 4.32Å; K549-F596 HydrophobicContact CB-CE1 4.16Å; K549-F596 HydrophobicContact CB-CE2 3.93Å; K549-F596 HydrophobicContact CB-CZ 3.84Å; K549-F596 HydrophobicContact CD-CB 4.47Å; K549-F596 HydrophobicContact CD-CD2 4.22Å; K549-F596 HydrophobicContact CD-CG 4.18Å; K549-F596 HydrophobicContact CG-CD1 3.76Å; K549-F596 HydrophobicContact CG-CD2 3.94Å; K549-F596 HydrophobicContact CG-CE1 3.83Å; K549-F596 HydrophobicContact CG-CE2 4.01Å; K549-F596 HydrophobicContact CG-CG 3.82Å; K549-F596 HydrophobicContact CG-CZ 3.96Å; K549-F596 WeakPolarHBondContact O-CZ 3.18Å; K549-D600 IonicContact NZ-OD1 2.87Å; K549-D600 PolarHBondContact NZ-OD1 3.24Å; K549-D600 IonicContact NZ-OD2 3.56Å; K549-D600 PolarHBondContact NZ-OD2 3.25Å |
| 550 | H | 97.6 | Very high | 97.6 | Very high | 67 Ų | 67 | 44.9 Ų | 44.9 | 31% | 0.31 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -58 | -50.1 | 176 | -178 | 57.6 | 0 | 0 | 0 | 111.3 | M503 M505 Q546 K547 F552 R553 M554 | M503-H550 PolarHBondContact O-NE2 3.38Å; M505-H550 HydrophobicContact CE-CB 4.07Å; Q546-H550 VanDerWaalsContact O-CB 3.29Å; Q546-H550 WeakPolarHBondContact O-CB 3.43Å; Q546-H550 PolarHBondContact O-N 3.34Å; K547-H550 PolarHBondContact O-N 3.02Å; H550-F552 PolarHBondContact O-N 2.9Å; H550-R553 PolarHBondContact O-N 3.31Å; H550-M554 WeakPolarHBondContact O-CG 3.19Å; H550-M554 PolarHBondContact O-N 3.2Å |
| 551 | F | 98 | Very high | 97.7 | Very high | 3 Ų | 3 | 44.1 Ų | 44.1 | 1% | 0.013 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -56.1 | -55 | 178.7 | 170.5 | -103.9 | 0 | 0 | 0 | 111.7 | L434 M505 L510 I513 M527 K547 V548 R553 M554 Y555 | L434-F551 HydrophobicContact CD1-CZ 4.28Å; L434-F551 HydrophobicContact CD2-CE2 4.07Å; L434-F551 HydrophobicContact CD2-CZ 4.13Å; L434-F551 HydrophobicContact CG-CE2 4.08Å; L434-F551 HydrophobicContact CG-CZ 4.15Å; M505-F551 HydrophobicContact CE-CB 3.49Å; M505-F551 VanDerWaalsContact CE-CB 3.49Å; M505-F551 HydrophobicContact SD-CB 4.06Å; M505-F551 HydrophobicContact SD-CD2 4.42Å; L510-F551 HydrophobicContact CD2-CD2 4.29Å; I513-F551 HydrophobicContact CD1-CB 4.44Å; I513-F551 HydrophobicContact CD1-CG 4.46Å; I513-F551 HydrophobicContact CG2-CD1 3.52Å; I513-F551 HydrophobicContact CG2-CD2 3.62Å; I513-F551 HydrophobicContact CG2-CE1 3.39Å; I513-F551 HydrophobicContact CG2-CE2 3.48Å; I513-F551 VanDerWaalsContact CG2-CE2 3.48Å; I513-F551 HydrophobicContact CG2-CG 3.64Å; I513-F551 HydrophobicContact CG2-CZ 3.37Å; M527-F551 HydrophobicContact CE-CE1 4.27Å; M527-F551 HydrophobicContact SD-CD1 4.39Å; K547-F551 PolarHBondContact O-N 3.31Å; V548-F551 PolarHBondContact O-N 3.08Å; F551-R553 VanDerWaalsContact C-N 3.3Å; F551-R553 PolarHBondContact O-N 3.46Å; F551-M554 PolarHBondContact O-N 2.98Å; F551-Y555 WeakPolarHBondContact O-CB 3.28Å; F551-Y555 PolarHBondContact O-N 3.17Å |
| 552 | F | 98.4 | Very high | 97.8 | Very high | 7 Ų | 7 | 42.4 Ų | 42.4 | 3% | 0.031 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66.1 | -33.4 | -175.9 | -87.1 | -82.1 | 0 | 0 | 0 | 112.5 | P524 M527 V548 H550 S556 W592 F596 | P524-F552 VanDerWaalsContact CA-CE2 3.45Å; P524-F552 HydrophobicContact CB-CD2 3.87Å; P524-F552 HydrophobicContact CB-CE2 4.05Å; P524-F552 HydrophobicContact CB-CG 4.19Å; P524-F552 HydrophobicContact CG-CB 4.4Å; P524-F552 HydrophobicContact CG-CD1 3.79Å; P524-F552 HydrophobicContact CG-CD2 3.9Å; P524-F552 HydrophobicContact CG-CE1 3.96Å; P524-F552 HydrophobicContact CG-CE2 4.08Å; P524-F552 HydrophobicContact CG-CG 3.76Å; P524-F552 HydrophobicContact CG-CZ 4.11Å; M527-F552 HydrophobicContact CB-CE2 4.33Å; M527-F552 HydrophobicContact CE-CE2 3.65Å; M527-F552 HydrophobicContact CE-CZ 3.77Å; M527-F552 HydrophobicContact SD-CE2 3.64Å; M527-F552 HydrophobicContact SD-CZ 4.37Å; V548-F552 HydrophobicContact CG1-CD2 3.95Å; V548-F552 HydrophobicContact CG1-CE2 4.19Å; V548-F552 WeakPolarHBondContact O-CD2 3.47Å; V548-F552 PolarHBondContact O-N 3.11Å; H550-F552 PolarHBondContact O-N 2.9Å; F552-S556 WeakPolarHBondContact O-CB 3.46Å; F552-S556 PolarHBondContact O-N 3.05Å; F552-S556 PolarHBondContact O-OG 2.73Å; F552-W592 HydrophobicContact CD1-CH2 4.24Å; F552-W592 HydrophobicContact CD1-CZ2 4.04Å; F552-W592 PolarHBondContact O-NE1 3.31Å; F552-W592 VanDerWaalsContact O-NE1 3.17Å; F552-F596 HydrophobicContact CB-CE1 4.22Å; F552-F596 HydrophobicContact CB-CZ 4.18Å |
| 553 | R | 97.7 | Very high | 97.8 | Very high | 142 Ų | 142 | 40.1 Ų | 40.1 | 54% | 0.536 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -61.3 | -56.3 | 171.9 | -176.1 | 176.3 | -179.4 | 172.4 | 0.4 | 110.2 | K549 H550 F551 Y555 S556 V557 | K549-R553 VanDerWaalsContact O-CB 3.32Å; K549-R553 WeakPolarHBondContact O-CB 3.38Å; K549-R553 PolarHBondContact O-N 3.49Å; H550-R553 PolarHBondContact O-N 3.31Å; F551-R553 VanDerWaalsContact C-N 3.3Å; F551-R553 PolarHBondContact O-N 3.46Å; R553-Y555 PolarHBondContact O-N 2.83Å; R553-S556 PolarHBondContact O-N 3.27Å; R553-S556 PolarHBondContact O-OG 3.49Å; R553-V557 HydrophobicContact CG-CG2 4.49Å; R553-V557 VanDerWaalsContact O-CG2 3.31Å; R553-V557 WeakPolarHBondContact O-CG2 3.48Å; R553-V557 PolarHBondContact O-N 3.32Å |
| 554 | M | 97.1 | Very high | 97.8 | Very high | 73 Ų | 73 | 38.7 Ų | 38.7 | 36% | 0.36 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -62.5 | -45.9 | -177.9 | -65.8 | -51.9 | -68.1 | 0 | 0 | 112.6 | H550 F551 S556 V557 N558 | H550-M554 WeakPolarHBondContact O-CG 3.19Å; H550-M554 PolarHBondContact O-N 3.2Å; F551-M554 PolarHBondContact O-N 2.98Å; M554-S556 VanDerWaalsContact C-N 3.31Å; M554-S556 PolarHBondContact O-N 2.87Å; M554-V557 PolarHBondContact O-N 3.04Å; M554-N558 WeakPolarHBondContact O-CB 3.32Å; M554-N558 PolarHBondContact O-N 2.86Å; M554-N558 PolarHBondContact O-ND2 3.09Å |
| 555 | Y | 98 | Very high | 97.7 | Very high | 4 Ų | 4 | 39.3 Ų | 39.3 | 2% | 0.016 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -52.2 | -49 | 172.6 | 164.1 | -93.1 | 0 | 0 | 0 | 111.3 | L434 R517 F551 R553 N558 R559 Y588 | L434-Y555 HydrophobicContact CD1-CD2 4.15Å; L434-Y555 HydrophobicContact CD1-CE2 4.32Å; L434-Y555 WeakPolarHBondContact O-CD2 3.41Å; R517-Y555 VanDerWaalsContact NH2-CZ 3.32Å; R517-Y555 PolarHBondContact NH2-OH 3.01Å; F551-Y555 WeakPolarHBondContact O-CB 3.28Å; F551-Y555 PolarHBondContact O-N 3.17Å; R553-Y555 PolarHBondContact O-N 2.83Å; Y555-N558 PolarHBondContact O-N 2.81Å; Y555-R559 WeakPolarHBondContact O-CB 3.42Å; Y555-R559 PolarHBondContact O-N 3.06Å; Y555-Y588 HydrophobicContact CE1-CE2 4.05Å; Y555-Y588 PolarHBondContact OH-OH 3.44Å |
| 556 | S | 98.3 | Very high | 97.7 | Very high | 2 Ų | 2 | 39.4 Ų | 39.4 | 1% | 0.014 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -72.3 | -36.6 | -175.3 | 65.8 | 0 | 0 | 0 | 0 | 113.5 | F552 R553 M554 T590 W592 | F552-S556 WeakPolarHBondContact O-CB 3.46Å; F552-S556 PolarHBondContact O-N 3.05Å; F552-S556 PolarHBondContact O-OG 2.73Å; R553-S556 PolarHBondContact O-N 3.27Å; R553-S556 PolarHBondContact O-OG 3.49Å; M554-S556 VanDerWaalsContact C-N 3.31Å; M554-S556 PolarHBondContact O-N 2.87Å; S556-T590 WeakPolarHBondContact OG-CA 3.38Å; S556-W592 PolarHBondContact OG-NE1 2.84Å; S556-W592 VanDerWaalsContact OG-NE1 3.12Å |
| 557 | V | 97.9 | Very high | 97.7 | Very high | 64 Ų | 64 | 36 Ų | 36 | 39% | 0.388 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -64.2 | -43.5 | 174.7 | 169.7 | 0 | 0 | 0 | 0 | 110.5 | R553 M554 H560 T590 | R553-V557 HydrophobicContact CG-CG2 4.49Å; R553-V557 VanDerWaalsContact O-CG2 3.31Å; R553-V557 WeakPolarHBondContact O-CG2 3.48Å; R553-V557 PolarHBondContact O-N 3.32Å; M554-V557 PolarHBondContact O-N 3.04Å; V557-H560 PolarHBondContact O-CE1 2.98Å; V557-H560 PolarHBondContact O-ND1 2.92Å; V557-T590 HydrophobicContact CB-CG2 4.47Å; V557-T590 HydrophobicContact CG2-CG2 3.68Å |
| 558 | N | 98.1 | Very high | 97.7 | Very high | 21 Ų | 21 | 34.3 Ų | 34.3 | 11% | 0.112 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -90.9 | -6.5 | -173.1 | -66.8 | -38.9 | 0 | 0 | 0 | 114.5 | T435 M554 Y555 H560 K561 | T435-N558 WeakPolarHBondContact O-CB 3.28Å; T435-N558 PolarHBondContact O-ND2 2.99Å; M554-N558 WeakPolarHBondContact O-CB 3.32Å; M554-N558 PolarHBondContact O-N 2.86Å; M554-N558 PolarHBondContact O-ND2 3.09Å; Y555-N558 PolarHBondContact O-N 2.81Å; N558-H560 PolarHBondContact O-N 3.01Å; N558-K561 HydrophobicContact CB-CD 4.4Å; N558-K561 WeakPolarHBondContact O-CB 3.42Å; N558-K561 WeakPolarHBondContact O-CG 3.35Å; N558-K561 PolarHBondContact O-N 2.89Å |
| 559 | R | 98.1 | Very high | 97.8 | Very high | 3 Ų | 3 | 34.4 Ų | 34.4 | 1% | 0.011 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -55.8 | -31.5 | -174.2 | -175.5 | 59.8 | 179.9 | -179.8 | 3.7 | 113.6 | Y555 K561 M562 P576 D578 D582 P585 F586 Y588 | Y555-R559 WeakPolarHBondContact O-CB 3.42Å; Y555-R559 PolarHBondContact O-N 3.06Å; R559-K561 PolarHBondContact O-N 3.2Å; R559-K561 VanDerWaalsContact O-N 3.1Å; R559-M562 WeakPolarHBondContact O-CB 3.48Å; R559-M562 PolarHBondContact O-N 2.79Å; R559-P576 VanDerWaalsContact CZ-O 3.32Å; R559-P576 PolarHBondContact NH1-O 2.82Å; R559-P576 PolarHBondContact NH2-O 3.26Å; R559-D578 IonicContact CZ-OD1 3.07Å; R559-D578 IonicContact NE-OD1 3.99Å; R559-D578 IonicContact NH2-OD1 3.87Å; R559-D578 PolarHBondContact NH2-OD1 2.83Å; R559-D582 PolarHBondContact NH2-O 3.31Å; R559-D582 IonicContact NH2-OD2 2.86Å; R559-P585 WeakPolarHBondContact CG-O 3.09Å; R559-F586 HydrophobicContact CG-CB 4.27Å; R559-Y588 HydrophobicContact CB-CD2 4.38Å; R559-Y588 HydrophobicContact CB-CE2 4.07Å; R559-Y588 HydrophobicContact CG-CE2 4Å |
| 560 | H | 98.3 | Very high | 97.8 | Very high | 71 Ų | 71 | 32.5 Ų | 32.5 | 33% | 0.329 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -56.2 | -25.3 | 175.3 | 73.5 | -86.3 | 0 | 0 | 0 | 113.8 | V557 N558 M562 T563 | V557-H560 PolarHBondContact O-CE1 2.98Å; V557-H560 PolarHBondContact O-ND1 2.92Å; N558-H560 PolarHBondContact O-N 3.01Å; H560-M562 VanDerWaalsContact C-N 3.31Å; H560-T563 PolarHBondContact O-N 3.45Å; H560-T563 PolarHBondContact O-OG1 3Å |
| 561 | K | 98.1 | Very high | 97.8 | Very high | 31 Ų | 31 | 29.4 Ų | 29.4 | 14% | 0.135 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -67.5 | -32.6 | 175.2 | -58.6 | -177.3 | -172.4 | 175.4 | 0 | 112 | G436 F438 K440 N558 R559 T563 T564 V565 | G436-K561 WeakPolarHBondContact O-CD 3.43Å; G436-K561 PolarHBondContact O-NZ 3.24Å; F438-K561 HydrophobicContact CD2-CD 4.39Å; F438-K561 HydrophobicContact CE1-CB 4.31Å; F438-K561 HydrophobicContact CE2-CB 3.78Å; F438-K561 HydrophobicContact CE2-CD 4.15Å; F438-K561 HydrophobicContact CE2-CG 4.48Å; F438-K561 HydrophobicContact CZ-CB 3.5Å; F438-K561 HydrophobicContact CZ-CD 4.24Å; F438-K561 HydrophobicContact CZ-CG 4.5Å; F438-K561 WeakPolarHBondContact O-CE 3.43Å; F438-K561 PolarHBondContact O-NZ 3.36Å; K440-K561 HydrophobicContact CB-CG 4.35Å; K440-K561 HydrophobicContact CD-CG 4.49Å; K440-K561 HydrophobicContact CG-CG 4.41Å; N558-K561 HydrophobicContact CB-CD 4.4Å; N558-K561 WeakPolarHBondContact O-CB 3.42Å; N558-K561 WeakPolarHBondContact O-CG 3.35Å; N558-K561 PolarHBondContact O-N 2.89Å; R559-K561 PolarHBondContact O-N 3.2Å; R559-K561 VanDerWaalsContact O-N 3.1Å; K561-T563 PolarHBondContact O-N 2.85Å; K561-T564 PolarHBondContact O-N 2.96Å; K561-T564 PolarHBondContact O-OG1 2.8Å; K561-V565 PolarHBondContact O-N 3.47Å |
| 562 | M | 97.8 | Very high | 97.7 | Very high | 6 Ų | 6 | 29.8 Ų | 29.8 | 3% | 0.03 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -68.4 | -20.3 | -179.9 | -69.5 | -54.3 | -59.4 | 0 | 0 | 114.2 | F438 R559 H560 T564 V565 P576 D578 | F438-M562 HydrophobicContact CE1-SD 4.38Å; F438-M562 HydrophobicContact CZ-SD 4.43Å; R559-M562 WeakPolarHBondContact O-CB 3.48Å; R559-M562 PolarHBondContact O-N 2.79Å; H560-M562 VanDerWaalsContact C-N 3.31Å; M562-T564 PolarHBondContact O-N 3.04Å; M562-V565 HydrophobicContact CE-CB 4.16Å; M562-V565 HydrophobicContact CE-CG1 3.58Å; M562-V565 HydrophobicContact CE-CG2 4.41Å; M562-V565 WeakPolarHBondContact O-CG1 3.2Å; M562-V565 HydrophobicContact SD-CB 4.21Å; M562-V565 HydrophobicContact SD-CG1 4.28Å; M562-V565 HydrophobicContact SD-CG2 4.34Å; M562-P576 HydrophobicContact CE-CB 4.09Å; M562-P576 HydrophobicContact CE-CG 3.88Å; M562-P576 WeakPolarHBondContact CE-O 3.45Å; M562-D578 HydrophobicContact CB-CB 4.47Å |
| 563 | T | 97.6 | Very high | 97.5 | Very high | 49 Ų | 49 | 30.9 Ų | 30.9 | 30% | 0.301 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -21.5 | 176.4 | 65.7 | 0 | 0 | 0 | 0 | 112.8 | H560 K561 F586 | H560-T563 PolarHBondContact O-N 3.45Å; H560-T563 PolarHBondContact O-OG1 3Å; K561-T563 PolarHBondContact O-N 2.85Å; T563-F586 HydrophobicContact CG2-CB 3.77Å; T563-F586 HydrophobicContact CG2-CD1 3.95Å; T563-F586 HydrophobicContact CG2-CG 3.85Å |
| 564 | T | 96.5 | Very high | 97.5 | Very high | 52 Ų | 52 | 24.1 Ų | 24.1 | 32% | 0.319 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -126.6 | 20 | -178.1 | 61.1 | 0 | 0 | 0 | 0 | 111.9 | K440 Y441 K561 M562 | K440-T564 WeakPolarHBondContact CE-OG1 2.95Å; Y441-T564 HydrophobicContact CE1-CG2 4.48Å; K561-T564 PolarHBondContact O-N 2.96Å; K561-T564 PolarHBondContact O-OG1 2.8Å; M562-T564 PolarHBondContact O-N 3.04Å |
| 565 | V | 94.4 | Very high | 97.5 | Very high | 14 Ų | 14 | 20.8 Ų | 20.8 | 9% | 0.085 | 12% | 0.119 | C | C | . | . | P | Polyproline II helix | trans | -70.7 | 148.6 | 175.4 | 76.3 | 0 | 0 | 0 | 0 | 109.7 | F438 K561 M562 | F438-V565 HydrophobicContact CZ-CG2 4.31Å; K561-V565 PolarHBondContact O-N 3.47Å; M562-V565 HydrophobicContact CE-CB 4.16Å; M562-V565 HydrophobicContact CE-CG1 3.58Å; M562-V565 HydrophobicContact CE-CG2 4.41Å; M562-V565 WeakPolarHBondContact O-CG1 3.2Å; M562-V565 HydrophobicContact SD-CB 4.21Å; M562-V565 HydrophobicContact SD-CG1 4.28Å; M562-V565 HydrophobicContact SD-CG2 4.34Å |
| 566 | T | 98.2 | Very high | 97.5 | Very high | 6 Ų | 6 | 20.7 Ų | 20.7 | 4% | 0.037 | 12% | 0.119 | C | C | . | . | P | Polyproline II helix | trans | -54.3 | 136.2 | 173.7 | -56 | 0 | 0 | 0 | 0 | 111.6 | S444 S445 A446 I448 N449 S568 | S444-T566 PolarHBondContact O-OG1 3.05Å; S445-T566 VanDerWaalsContact CA-OG1 3.3Å; S445-T566 WeakPolarHBondContact CA-OG1 3.25Å; A446-T566 HydrophobicContact CB-CG2 4.18Å; A446-T566 PolarHBondContact N-OG1 3.48Å; A446-T566 VanDerWaalsContact O-CG2 3.3Å; A446-T566 WeakPolarHBondContact O-CG2 3.49Å; A446-T566 PolarHBondContact O-OG1 3.48Å; I448-T566 VanDerWaalsContact C-CG2 3.47Å; N449-T566 HydrophobicContact CB-CG2 3.89Å; T566-S568 PolarHBondContact O-N 3.46Å |
| 567 | P | 98.2 | Very high | 97.5 | Very high | 51 Ų | 51 | 20.7 Ų | 20.7 | 33% | 0.331 | 12% | 0.119 | S | C | . | . | P | Polyproline II helix | trans | -56.2 | 124.5 | 169.4 | -22.8 | 33.5 | 0 | 0 | 0 | 111.2 | N449 | N449-P567 PolarHBondContact N-O 3.46Š|
| 568 | S | 97.6 | Very high | 97.4 | Very high | 11 Ų | 11 | 19 Ų | 19 | 8% | 0.077 | 11% | 0.108 | C | C | . | . | B | Isolated β-bridge | trans | -119.1 | 144.7 | -175.3 | 56.6 | 0 | 0 | 0 | 0 | 113.2 | R152 N449 T566 H570 | R152-S568 WeakPolarHBondContact CB-O 3.05Å; N449-S568 CarbonylContact O-C 3.56Å; N449-S568 WeakPolarHBondContact O-CA 3.4Å; N449-S568 WeakPolarHBondContact O-CB 3.4Å; T566-S568 PolarHBondContact O-N 3.46Å; S568-H570 PolarHBondContact O-N 3.49Å |
| 569 | Y | 98.7 | Very high | 97.4 | Very high | 1 Ų | 1 | 21 Ų | 21 | 0% | 0.004 | 12% | 0.118 | C | C | . | . | trans | -47.7 | 129 | 170.2 | -179.9 | -88.4 | 0 | 0 | 0 | 110.1 | H117 Y154 P248 W251 N449 P450 G453 A571 | H117-Y569 VanDerWaalsContact CG-OH 3.29Å; H117-Y569 AromaticContact ND1-CE1 3.53Å; H117-Y569 AromaticContact ND1-CZ 3.49Å; H117-Y569 PolarHBondContact ND1-OH 3.15Å; Y154-Y569 HydrophobicContact CG-CE2 4.1Å; P248-Y569 HydrophobicContact CB-CD2 4.42Å; P248-Y569 HydrophobicContact CB-CG 4.47Å; P248-Y569 HydrophobicContact CG-CD1 3.95Å; P248-Y569 HydrophobicContact CG-CD2 4.39Å; P248-Y569 HydrophobicContact CG-CE1 3.89Å; P248-Y569 HydrophobicContact CG-CE2 4.29Å; P248-Y569 HydrophobicContact CG-CG 4.22Å; W251-Y569 HydrophobicContact CB-CD2 3.66Å; W251-Y569 HydrophobicContact CB-CE2 3.71Å; W251-Y569 AromaticContact CD1-CD2 3.98Å; W251-Y569 AromaticContact CD2-CD2 3.7Å; W251-Y569 HydrophobicContact CD2-CD2 3.7Å; W251-Y569 HydrophobicContact CE3-CD2 4.08Å; W251-Y569 AromaticContact CG-CD2 3.52Å; W251-Y569 HydrophobicContact CG-CD2 3.52Å; W251-Y569 AromaticContact CG-CE2 3.99Å; W251-Y569 HydrophobicContact CG-CE2 3.99Å; N449-Y569 PolarHBondContact O-N 3.04Å; P450-Y569 WeakPolarHBondContact O-CB 3.48Å; G453-Y569 WeakPolarHBondContact CA-O 3.43Å; G453-Y569 PolarHBondContact N-O 3.06Å; Y569-A571 HydrophobicContact CD1-CB 3.9Å; Y569-A571 HydrophobicContact CE1-CB 3.85Å; Y569-A571 PolarHBondContact O-N 2.83Å | ||
| 570 | H | 98.6 | Very high | 97.3 | Very high | 5 Ų | 5 | 26.8 Ų | 26.8 | 2% | 0.023 | 14% | 0.14 | C | C | . | . | trans | -81.7 | 117.3 | 176.7 | -170.3 | 85.7 | 0 | 0 | 0 | 110.7 | H116 R152 L153 S568 F581 | H116-H570 AromaticContact CD2-CD2 3.49Å; H116-H570 PolarHBondContact CD2-CD2 3.49Å; H116-H570 VanDerWaalsContact CD2-CD2 3.49Å; H116-H570 AromaticContact NE2-CD2 3.63Å; H116-H570 AromaticContact NE2-NE2 3.7Å; R152-H570 PolarHBondContact O-N 3.43Å; L153-H570 HydrophobicContact CD2-CB 3.61Å; S568-H570 PolarHBondContact O-N 3.49Å; H570-F581 AromaticContact CE1-CD2 3.51Å; H570-F581 AromaticContact CE1-CE2 3.52Å; H570-F581 AromaticContact CE1-CG 3.78Å; H570-F581 AromaticContact CE1-CZ 3.79Å; H570-F581 AromaticContact NE2-CE2 3.96Å | ||
| 571 | A | 97.9 | Very high | 97.2 | Very high | 2 Ų | 2 | 24.5 Ų | 24.5 | 2% | 0.017 | 13% | 0.13 | C | C | . | . | trans | -127.9 | -63.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | E118 L119 G453 I454 Y569 | E118-A571 CarbonylContact C-O 3.52Å; E118-A571 WeakPolarHBondContact CA-O 3.47Å; E118-A571 WeakPolarHBondContact CG-O 3.16Å; L119-A571 HydrophobicContact CB-CB 4.24Å; L119-A571 PolarHBondContact N-O 3.34Å; G453-A571 WeakPolarHBondContact O-CB 3.49Å; I454-A571 HydrophobicContact CG1-CB 3.91Å; Y569-A571 HydrophobicContact CD1-CB 3.9Å; Y569-A571 HydrophobicContact CE1-CB 3.85Å; Y569-A571 PolarHBondContact O-N 2.83Å | ||
| 572 | E | 96.9 | Very high | 97.2 | Very high | 10 Ų | 10 | 23.2 Ų | 23.2 | 5% | 0.047 | 12% | 0.124 | C | C | . | . | trans | -79.7 | 136.1 | -176.1 | -68.8 | -83.5 | -145 | 0 | 0 | 113.1 | R120 G453 Y574 S575 | R120-E572 IonicContact NH1-OE1 3.02Å; G453-E572 WeakPolarHBondContact O-CB 3.49Å; G453-E572 WeakPolarHBondContact O-CG 3.48Å; G453-E572 PolarHBondContact O-N 3.35Å; E572-Y574 HydrophobicContact CB-CD1 3.86Å; E572-Y574 HydrophobicContact CB-CE1 3.64Å; E572-Y574 HydrophobicContact CG-CD1 4.47Å; E572-Y574 HydrophobicContact CG-CE1 3.76Å; E572-Y574 PolarHBondContact O-N 3.39Å; E572-Y574 PolarHBondContact OE1-OH 3.28Å; E572-Y574 WeakPolarHBondContact OE2-CE1 3.29Å; E572-S575 PolarHBondContact O-N 3.46Å; E572-S575 VanDerWaalsContact O-N 3.16Å | ||
| 573 | S | 94.5 | Very high | 97.2 | Very high | 30 Ų | 30 | 27.8 Ų | 27.8 | 21% | 0.21 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -0.8 | 178.3 | 63.4 | 0 | 0 | 0 | 0 | 114.7 | E118 I519 F581 | E118-S573 VanDerWaalsContact OE1-CB 3.23Å; E118-S573 WeakPolarHBondContact OE1-CB 3.41Å; I519-S573 WeakPolarHBondContact CD1-OG 3.49Å; S573-F581 VanDerWaalsContact O-CE1 3.3Å; S573-F581 WeakPolarHBondContact O-CE1 3.19Å; S573-F581 VanDerWaalsContact O-CZ 3.28Å; S573-F581 WeakPolarHBondContact O-CZ 3.17Å |
| 574 | Y | 97.4 | Very high | 97.2 | Very high | 1 Ų | 1 | 29.9 Ų | 29.9 | 0% | 0.004 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.5 | 16.7 | 174.4 | 67.8 | -85.9 | 0 | 0 | 0 | 114.6 | V430 S455 R515 E572 | V430-Y574 HydrophobicContact CG1-CE2 3.8Å; V430-Y574 HydrophobicContact CG2-CE2 4.32Å; S455-Y574 WeakPolarHBondContact CB-OH 3.41Å; R515-Y574 HydrophobicContact CG-CD1 3.66Å; R515-Y574 HydrophobicContact CG-CE1 4.09Å; R515-Y574 HydrophobicContact CG-CG 4.11Å; E572-Y574 HydrophobicContact CB-CD1 3.86Å; E572-Y574 HydrophobicContact CB-CE1 3.64Å; E572-Y574 HydrophobicContact CG-CD1 4.47Å; E572-Y574 HydrophobicContact CG-CE1 3.76Å; E572-Y574 PolarHBondContact O-N 3.39Å; E572-Y574 PolarHBondContact OE1-OH 3.28Å; E572-Y574 WeakPolarHBondContact OE2-CE1 3.29Å |
| 575 | S | 97.1 | Very high | 97.3 | Very high | 3 Ų | 3 | 31 Ų | 31 | 2% | 0.021 | 16% | 0.159 | C | C | . | . | trans | -48.3 | 135.6 | 178.4 | 178.3 | 0 | 0 | 0 | 0 | 113.1 | E572 D577 F581 | E572-S575 PolarHBondContact O-N 3.46Å; E572-S575 VanDerWaalsContact O-N 3.16Å; S575-D577 VanDerWaalsContact C-N 3.3Å; S575-D577 PolarHBondContact OG-N 3.48Å; S575-F581 WeakPolarHBondContact O-CD1 3.32Å | ||
| 576 | P | 97.6 | Very high | 97.5 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.006 | 18% | 0.18 | C | C | . | . | trans | -85.5 | 7.4 | 174.9 | 34.7 | -35.1 | 0 | 0 | 0 | 113.5 | V430 L434 R559 M562 D578 | V430-P576 VanDerWaalsContact CG2-CD 3.48Å; V430-P576 HydrophobicContact CG2-CG 4.48Å; L434-P576 HydrophobicContact CB-CB 4.34Å; L434-P576 HydrophobicContact CB-CG 4.14Å; L434-P576 HydrophobicContact CD1-CB 4.03Å; R559-P576 VanDerWaalsContact CZ-O 3.32Å; R559-P576 PolarHBondContact NH1-O 2.82Å; R559-P576 PolarHBondContact NH2-O 3.26Å; M562-P576 HydrophobicContact CE-CB 4.09Å; M562-P576 HydrophobicContact CE-CG 3.88Å; M562-P576 WeakPolarHBondContact CE-O 3.45Å; P576-D578 PolarHBondContact O-N 3.36Å | ||
| 577 | D | 97.4 | Very high | 97.5 | Very high | 3 Ų | 3 | 43 Ų | 43 | 2% | 0.016 | 22% | 0.216 | C | C | . | . | trans | -51.8 | 124.3 | -178.4 | 168.6 | -113.3 | 0 | 0 | 0 | 112.7 | R152 S575 N579 R580 F581 D582 | R152-D577 VanDerWaalsContact CZ-CG 3.43Å; R152-D577 IonicContact CZ-OD1 2.71Å; R152-D577 IonicContact CZ-OD2 2.74Å; R152-D577 IonicContact NH1-OD1 3.58Å; R152-D577 PolarHBondContact NH1-OD1 3.44Å; R152-D577 IonicContact NH1-OD2 3.59Å; R152-D577 PolarHBondContact NH1-OD2 2.84Å; R152-D577 IonicContact NH2-OD2 2.93Å; R152-D577 PolarHBondContact NH2-OD2 3.46Å; R152-D577 VanDerWaalsContact NH2-OD2 3.09Å; S575-D577 VanDerWaalsContact C-N 3.3Å; S575-D577 PolarHBondContact OG-N 3.48Å; D577-N579 PolarHBondContact OD1-N 3.35Å; D577-N579 PolarHBondContact OD2-N 3.09Å; D577-N579 PolarHBondContact OD2-ND2 2.91Å; D577-R580 PolarHBondContact OD1-N 3.39Å; D577-F581 HydrophobicContact CB-CB 4.42Å; D577-F581 PolarHBondContact OD1-N 3.34Å; D577-D582 CarbonylContact O-C 3.56Å; D577-D582 WeakPolarHBondContact O-CA 3.42Å; D577-D582 WeakPolarHBondContact O-CB 3.47Å; D577-D582 PolarHBondContact O-N 2.76Å | ||
| 578 | D | 97.3 | Very high | 97.5 | Very high | 28 Ų | 28 | 42.8 Ų | 42.8 | 15% | 0.15 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -19 | -177.5 | -157.7 | 63.1 | 0 | 0 | 0 | 113.2 | R559 M562 P576 L583 R584 | R559-D578 IonicContact CZ-OD1 3.07Å; R559-D578 IonicContact NE-OD1 3.99Å; R559-D578 IonicContact NH2-OD1 3.87Å; R559-D578 PolarHBondContact NH2-OD1 2.83Å; M562-D578 HydrophobicContact CB-CB 4.47Å; P576-D578 PolarHBondContact O-N 3.36Å; D578-L583 VanDerWaalsContact O-CD2 3.28Å; D578-L583 WeakPolarHBondContact O-CD2 3.5Å; D578-R584 PolarHBondContact OD1-N 2.56Å |
| 579 | N | 96.4 | Very high | 97.5 | Very high | 63 Ų | 63 | 46.8 Ų | 46.8 | 34% | 0.337 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -37.4 | -173.1 | -68.8 | -82.8 | 0 | 0 | 0 | 112.8 | R152 D577 | R152-N579 PolarHBondContact NH2-ND2 3.28Å; D577-N579 PolarHBondContact OD1-N 3.35Å; D577-N579 PolarHBondContact OD2-N 3.09Å; D577-N579 PolarHBondContact OD2-ND2 2.91Å |
| 580 | R | 95.9 | Very high | 97.4 | Very high | 125 Ų | 125 | 48.5 Ų | 48.5 | 47% | 0.472 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -136.3 | -48.6 | -172.9 | -64.2 | -64.7 | -179.5 | -89.6 | -2.1 | 112.8 | T35 R37 D577 | T35-R580 HydrophobicContact CG2-CB 4.13Å; R37-R580 PolarHBondContact NH2-O 2.96Å; D577-R580 PolarHBondContact OD1-N 3.39Å |
| 581 | F | 97.7 | Very high | 97.3 | Very high | 23 Ų | 23 | 53.5 Ų | 53.5 | 10% | 0.101 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | -36.8 | -163.2 | -171.6 | -108.6 | 0 | 0 | 0 | 114.2 | T35 K518 H570 S573 S575 D577 | T35-F581 WeakPolarHBondContact OG1-CD2 3.46Å; K518-F581 HydrophobicContact CD-CE1 4.41Å; K518-F581 HydrophobicContact CG-CE1 4.18Å; K518-F581 PolarHBondContact NZ-O 3.49Å; H570-F581 AromaticContact CE1-CD2 3.51Å; H570-F581 AromaticContact CE1-CE2 3.52Å; H570-F581 AromaticContact CE1-CG 3.78Å; H570-F581 AromaticContact CE1-CZ 3.79Å; H570-F581 AromaticContact NE2-CE2 3.96Å; S573-F581 VanDerWaalsContact O-CE1 3.3Å; S573-F581 WeakPolarHBondContact O-CE1 3.19Å; S573-F581 VanDerWaalsContact O-CZ 3.28Å; S573-F581 WeakPolarHBondContact O-CZ 3.17Å; S575-F581 WeakPolarHBondContact O-CD1 3.32Å; D577-F581 HydrophobicContact CB-CB 4.42Å; D577-F581 PolarHBondContact OD1-N 3.34Å |
| 582 | D | 97.9 | Very high | 97.3 | Very high | 3 Ų | 3 | 54.9 Ų | 54.9 | 2% | 0.016 | 27% | 0.268 | C | S | . | . | trans | -132.4 | 69.8 | -172.2 | -167.6 | 37.1 | 0 | 0 | 0 | 112.8 | R517 K518 R559 D577 R584 | R517-D582 IonicContact CZ-OD2 2.83Å; R517-D582 IonicContact NH1-OD1 3.92Å; R517-D582 IonicContact NH1-OD2 3.43Å; R517-D582 PolarHBondContact NH1-OD2 2.85Å; R517-D582 IonicContact NH2-OD1 2.74Å; R517-D582 IonicContact NH2-OD2 2.72Å; R517-D582 PolarHBondContact NH2-OD2 2.8Å; K518-D582 HydrophobicContact CD-CB 4.44Å; K518-D582 WeakPolarHBondContact CD-OD1 3.36Å; K518-D582 VanDerWaalsContact NZ-CA 3.34Å; K518-D582 IonicContact NZ-OD1 3.83Å; K518-D582 PolarHBondContact NZ-OD1 3.27Å; R559-D582 PolarHBondContact NH2-O 3.31Å; R559-D582 IonicContact NH2-OD2 2.86Å; D577-D582 CarbonylContact O-C 3.56Å; D577-D582 WeakPolarHBondContact O-CA 3.42Å; D577-D582 WeakPolarHBondContact O-CB 3.47Å; D577-D582 PolarHBondContact O-N 2.76Å; D582-R584 WeakPolarHBondContact O-CG 3.45Å; D582-R584 PolarHBondContact O-N 2.74Å; D582-R584 IonicContact OD1-CZ 3.45Å; D582-R584 IonicContact OD1-NE 3.19Å; D582-R584 PolarHBondContact OD1-NE 3.17Å; D582-R584 VanDerWaalsContact OD1-NE 3.07Å; D582-R584 IonicContact OD1-NH2 3.69Å; D582-R584 IonicContact OD2-NE 3.19Å | ||
| 583 | L | 97.6 | Very high | 97.4 | Very high | 103 Ų | 103 | 58.6 Ų | 58.6 | 54% | 0.539 | 29% | 0.288 | S | S | . | . | trans | -61 | 119.7 | 175.2 | -60.7 | -175.5 | 0 | 0 | 0 | 111.7 | R37 D578 | R37-L583 VanDerWaalsContact CZ-CD1 3.45Å; R37-L583 VanDerWaalsContact NH1-CD1 3.29Å; D578-L583 VanDerWaalsContact O-CD2 3.28Å; D578-L583 WeakPolarHBondContact O-CD2 3.5Å | ||
| 584 | R | 98.1 | Very high | 97.6 | Very high | 92 Ų | 92 | 66.3 Ų | 66.3 | 35% | 0.347 | 31% | 0.313 | S | S | . | . | trans | -144.8 | 157 | -178.8 | -65.6 | -66 | -176.9 | 153 | 6.3 | 111 | D578 D582 | D578-R584 PolarHBondContact OD1-N 2.56Å; D582-R584 WeakPolarHBondContact O-CG 3.45Å; D582-R584 PolarHBondContact O-N 2.74Å; D582-R584 IonicContact OD1-CZ 3.45Å; D582-R584 IonicContact OD1-NE 3.19Å; D582-R584 PolarHBondContact OD1-NE 3.17Å; D582-R584 VanDerWaalsContact OD1-NE 3.07Å; D582-R584 IonicContact OD1-NH2 3.69Å; D582-R584 IonicContact OD2-NE 3.19Å | ||
| 585 | P | 98.4 | Very high | 97.7 | Very high | 76 Ų | 76 | 69.4 Ų | 69.4 | 49% | 0.494 | 33% | 0.327 | S | S | . | . | trans | -55 | 151.6 | 162.1 | -22.9 | 32.4 | 0 | 0 | 0 | 110.8 | R559 Y588 | R559-P585 WeakPolarHBondContact CG-O 3.09Å; P585-Y588 HydrophobicContact CB-CD1 4.35Å; P585-Y588 HydrophobicContact CB-CE1 3.92Å; P585-Y588 HydrophobicContact CB-CE2 4.17Å; P585-Y588 WeakPolarHBondContact CD-OH 3.41Å; P585-Y588 HydrophobicContact CG-CE1 4Å; P585-Y588 WeakPolarHBondContact O-CE2 3.4Å; P585-Y588 VanDerWaalsContact O-CZ 3.29Å; P585-Y588 PolarHBondContact O-OH 3.32Å | ||
| 586 | F | 97.9 | Very high | 97.7 | Very high | 120 Ų | 120 | 70.4 Ų | 70.4 | 53% | 0.526 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -116.6 | -6.5 | 170.2 | 59.9 | -95.5 | 0 | 0 | 0 | 112.7 | R559 T563 | R559-F586 HydrophobicContact CG-CB 4.27Å; T563-F586 HydrophobicContact CG2-CB 3.77Å; T563-F586 HydrophobicContact CG2-CD1 3.95Å; T563-F586 HydrophobicContact CG2-CG 3.85Å |
| 587 | L | 98.3 | Very high | 97.8 | Very high | 153 Ų | 153 | 75.6 Ų | 75.6 | 80% | 0.801 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -113.1 | 102.5 | 168.6 | 179.6 | 62.7 | 0 | 0 | 0 | 108.3 | ||
| 588 | Y | 98.4 | Very high | 97.8 | Very high | 45 Ų | 45 | 77.2 Ų | 77.2 | 18% | 0.176 | 37% | 0.367 | C | S | . | . | trans | -109.2 | 156.6 | 180 | -74 | -83 | 0 | 0 | 0 | 111.4 | Y555 R559 P585 T590 W592 | Y555-Y588 HydrophobicContact CE1-CE2 4.05Å; Y555-Y588 PolarHBondContact OH-OH 3.44Å; R559-Y588 HydrophobicContact CB-CD2 4.38Å; R559-Y588 HydrophobicContact CB-CE2 4.07Å; R559-Y588 HydrophobicContact CG-CE2 4Å; P585-Y588 HydrophobicContact CB-CD1 4.35Å; P585-Y588 HydrophobicContact CB-CE1 3.92Å; P585-Y588 HydrophobicContact CB-CE2 4.17Å; P585-Y588 WeakPolarHBondContact CD-OH 3.41Å; P585-Y588 HydrophobicContact CG-CE1 4Å; P585-Y588 WeakPolarHBondContact O-CE2 3.4Å; P585-Y588 VanDerWaalsContact O-CZ 3.29Å; P585-Y588 PolarHBondContact O-OH 3.32Å; Y588-T590 PolarHBondContact O-N 3.35Å; Y588-W592 AromaticContact CD1-CH2 3.99Å; Y588-W592 HydrophobicContact CD1-CH2 3.99Å; Y588-W592 AromaticContact CD1-CZ2 3.94Å; Y588-W592 HydrophobicContact CD1-CZ2 3.94Å; Y588-W592 AromaticContact CE1-CH2 3.97Å; Y588-W592 HydrophobicContact CE1-CH2 3.97Å; Y588-W592 HydrophobicContact CE1-CZ2 4.2Å; Y588-W592 HydrophobicContact CG-CZ2 4.42Å | ||
| 589 | N | 97.9 | Very high | 97.9 | Very high | 95 Ų | 95 | 75.9 Ų | 75.9 | 51% | 0.508 | 36% | 0.359 | S | S | . | . | trans | -73.6 | 101 | 153 | -179.3 | -8.8 | 0 | 0 | 0 | 108.3 | H591 W592 | N589-H591 PolarHBondContact O-N 3.42Å; N589-H591 VanDerWaalsContact O-N 3.17Å; N589-H591 WeakPolarHBondContact OD1-CB 3.46Å; N589-H591 PolarHBondContact OD1-N 3.12Å; N589-H591 VanDerWaalsContact OD1-N 3.12Å; N589-H591 PolarHBondContact OD1-ND1 3.05Å; N589-W592 PolarHBondContact O-N 3.43Å | ||
| 590 | T | 96.9 | Very high | 97.9 | Very high | 37 Ų | 37 | 76.1 Ų | 76.1 | 23% | 0.227 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -6.9 | -173.3 | 59.2 | 0 | 0 | 0 | 0 | 114.2 | S556 V557 Y588 | S556-T590 WeakPolarHBondContact OG-CA 3.38Å; V557-T590 HydrophobicContact CB-CG2 4.47Å; V557-T590 HydrophobicContact CG2-CG2 3.68Å; Y588-T590 PolarHBondContact O-N 3.35Å |
| 591 | H | 96.7 | Very high | 98 | Very high | 110 Ų | 110 | 74.7 Ų | 74.7 | 51% | 0.509 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -17.9 | 175.8 | -60.1 | 88.4 | 0 | 0 | 0 | 112.7 | N589 N593 F596 | N589-H591 PolarHBondContact O-N 3.42Å; N589-H591 VanDerWaalsContact O-N 3.17Å; N589-H591 WeakPolarHBondContact OD1-CB 3.46Å; N589-H591 PolarHBondContact OD1-N 3.12Å; N589-H591 VanDerWaalsContact OD1-N 3.12Å; N589-H591 PolarHBondContact OD1-ND1 3.05Å; H591-N593 WeakPolarHBondContact CB-OD1 3.36Å; H591-N593 PolarHBondContact O-N 2.82Å; H591-F596 WeakPolarHBondContact O-CD2 3.41Å; H591-F596 WeakPolarHBondContact O-CE2 3.27Å |
| 592 | W | 98.1 | Very high | 98 | Very high | 32 Ų | 32 | 76.9 Ų | 76.9 | 12% | 0.121 | 37% | 0.373 | C | S | . | . | trans | 47.8 | 39.4 | 179 | -62.2 | 89.8 | 0 | 0 | 0 | 112.9 | P524 F552 S556 Y588 N589 W594 Q595 F596 | P524-W592 HydrophobicContact CG-CD2 4.27Å; P524-W592 HydrophobicContact CG-CE3 3.8Å; P524-W592 HydrophobicContact CG-CZ3 4.16Å; F552-W592 HydrophobicContact CD1-CH2 4.24Å; F552-W592 HydrophobicContact CD1-CZ2 4.04Å; F552-W592 PolarHBondContact O-NE1 3.31Å; F552-W592 VanDerWaalsContact O-NE1 3.17Å; S556-W592 PolarHBondContact OG-NE1 2.84Å; S556-W592 VanDerWaalsContact OG-NE1 3.12Å; Y588-W592 AromaticContact CD1-CH2 3.99Å; Y588-W592 HydrophobicContact CD1-CH2 3.99Å; Y588-W592 AromaticContact CD1-CZ2 3.94Å; Y588-W592 HydrophobicContact CD1-CZ2 3.94Å; Y588-W592 AromaticContact CE1-CH2 3.97Å; Y588-W592 HydrophobicContact CE1-CH2 3.97Å; Y588-W592 HydrophobicContact CE1-CZ2 4.2Å; Y588-W592 HydrophobicContact CG-CZ2 4.42Å; N589-W592 PolarHBondContact O-N 3.43Å; W592-W594 VanDerWaalsContact C-N 3.33Å; W592-W594 PolarHBondContact O-N 3.36Å; W592-W594 VanDerWaalsContact O-N 3.13Å; W592-Q595 HydrophobicContact CE3-CG 4.3Å; W592-Q595 PolarHBondContact O-N 3.11Å; W592-Q595 PolarHBondContact O-OE1 2.72Å; W592-F596 HydrophobicContact CB-CD1 3.7Å; W592-F596 HydrophobicContact CB-CD2 4.08Å; W592-F596 HydrophobicContact CB-CE1 3.56Å; W592-F596 HydrophobicContact CB-CE2 3.95Å; W592-F596 HydrophobicContact CB-CG 3.97Å; W592-F596 HydrophobicContact CB-CZ 3.69Å; W592-F596 AromaticContact CD1-CZ 3.83Å; W592-F596 HydrophobicContact CG-CE1 4.02Å; W592-F596 HydrophobicContact CG-CE2 4.5Å; W592-F596 AromaticContact CG-CZ 3.95Å; W592-F596 HydrophobicContact CG-CZ 3.95Å; W592-F596 PolarHBondContact O-N 2.93Å | ||
| 593 | N | 97.9 | Very high | 97.8 | Very high | 87 Ų | 87 | 78.4 Ų | 78.4 | 47% | 0.465 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -45.1 | -53.8 | -164.9 | -68.9 | -24.6 | 0 | 0 | 0 | 113 | H591 Q597 | H591-N593 WeakPolarHBondContact CB-OD1 3.36Å; H591-N593 PolarHBondContact O-N 2.82Å; N593-Q597 WeakPolarHBondContact O-CB 3.39Å; N593-Q597 WeakPolarHBondContact O-CG 3.49Å; N593-Q597 PolarHBondContact O-N 3.3Å |
| 594 | W | 98.5 | Very high | 97.6 | Very high | 192 Ų | 192 | 78.4 Ų | 78.4 | 73% | 0.727 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -63.8 | -50.6 | -178.3 | -175.8 | -85 | 0 | 0 | 0 | 112.1 | W592 F596 Q597 C598 | W592-W594 VanDerWaalsContact C-N 3.33Å; W592-W594 PolarHBondContact O-N 3.36Å; W592-W594 VanDerWaalsContact O-N 3.13Å; W594-F596 VanDerWaalsContact C-N 3.31Å; W594-F596 PolarHBondContact O-N 3.18Å; W594-Q597 PolarHBondContact O-N 3.46Å; W594-C598 PolarHBondContact O-N 3.3Å; W594-C598 PolarHBondContact O-SG 3.07Å |
| 595 | Q | 98.7 | Very high | 97.3 | Very high | 66 Ų | 66 | 80.8 Ų | 80.8 | 31% | 0.308 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -65.1 | -37.7 | -175.7 | -60.9 | 87.6 | -25 | 0 | 0 | 111.6 | P524 W592 C598 I599 | P524-Q595 HydrophobicContact CB-CB 3.99Å; P524-Q595 HydrophobicContact CG-CB 3.89Å; P524-Q595 HydrophobicContact CG-CG 4.16Å; W592-Q595 HydrophobicContact CE3-CG 4.3Å; W592-Q595 PolarHBondContact O-N 3.11Å; W592-Q595 PolarHBondContact O-OE1 2.72Å; Q595-C598 PolarHBondContact O-N 3.41Å; Q595-I599 WeakPolarHBondContact O-CG1 3.43Å; Q595-I599 PolarHBondContact O-N 2.95Å |
| 596 | F | 98.6 | Very high | 96.6 | Very high | 25 Ų | 25 | 79.6 Ų | 79.6 | 11% | 0.11 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -72.4 | -37.5 | 177.8 | -72.5 | 3.4 | 0 | 0 | 0 | 111.7 | P524 K549 F552 H591 W592 W594 C598 I599 D600 | P524-F596 HydrophobicContact CB-CD1 4.36Å; P524-F596 HydrophobicContact CB-CE1 4.11Å; P524-F596 HydrophobicContact CG-CE1 4.46Å; K549-F596 HydrophobicContact CB-CD2 4.32Å; K549-F596 HydrophobicContact CB-CE1 4.16Å; K549-F596 HydrophobicContact CB-CE2 3.93Å; K549-F596 HydrophobicContact CB-CZ 3.84Å; K549-F596 HydrophobicContact CD-CB 4.47Å; K549-F596 HydrophobicContact CD-CD2 4.22Å; K549-F596 HydrophobicContact CD-CG 4.18Å; K549-F596 HydrophobicContact CG-CD1 3.76Å; K549-F596 HydrophobicContact CG-CD2 3.94Å; K549-F596 HydrophobicContact CG-CE1 3.83Å; K549-F596 HydrophobicContact CG-CE2 4.01Å; K549-F596 HydrophobicContact CG-CG 3.82Å; K549-F596 HydrophobicContact CG-CZ 3.96Å; K549-F596 WeakPolarHBondContact O-CZ 3.18Å; F552-F596 HydrophobicContact CB-CE1 4.22Å; F552-F596 HydrophobicContact CB-CZ 4.18Å; H591-F596 WeakPolarHBondContact O-CD2 3.41Å; H591-F596 WeakPolarHBondContact O-CE2 3.27Å; W592-F596 HydrophobicContact CB-CD1 3.7Å; W592-F596 HydrophobicContact CB-CD2 4.08Å; W592-F596 HydrophobicContact CB-CE1 3.56Å; W592-F596 HydrophobicContact CB-CE2 3.95Å; W592-F596 HydrophobicContact CB-CG 3.97Å; W592-F596 HydrophobicContact CB-CZ 3.69Å; W592-F596 AromaticContact CD1-CZ 3.83Å; W592-F596 HydrophobicContact CG-CE1 4.02Å; W592-F596 HydrophobicContact CG-CE2 4.5Å; W592-F596 AromaticContact CG-CZ 3.95Å; W592-F596 HydrophobicContact CG-CZ 3.95Å; W592-F596 PolarHBondContact O-N 2.93Å; W594-F596 VanDerWaalsContact C-N 3.31Å; W594-F596 PolarHBondContact O-N 3.18Å; F596-C598 VanDerWaalsContact C-N 3.34Å; F596-C598 PolarHBondContact O-N 2.99Å; F596-I599 HydrophobicContact CD1-CD1 4.32Å; F596-I599 WeakPolarHBondContact O-CB 3.28Å; F596-I599 PolarHBondContact O-N 2.93Å; F596-D600 PolarHBondContact O-N 3.32Å; F596-D600 VanDerWaalsContact O-OD2 3.09Å |
| 597 | Q | 98.4 | Very high | 95.5 | Very high | 110 Ų | 110 | 79.3 Ų | 79.3 | 51% | 0.514 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -61 | -40.5 | 170.7 | -76.2 | 170.1 | -8.8 | 0 | 0 | 112.2 | N593 W594 I599 D600 N601 | N593-Q597 WeakPolarHBondContact O-CB 3.39Å; N593-Q597 WeakPolarHBondContact O-CG 3.49Å; N593-Q597 PolarHBondContact O-N 3.3Å; W594-Q597 PolarHBondContact O-N 3.46Å; Q597-I599 VanDerWaalsContact C-N 3.3Å; Q597-I599 PolarHBondContact O-N 3Å; Q597-D600 PolarHBondContact O-N 2.99Å; Q597-N601 WeakPolarHBondContact O-CB 3.5Å; Q597-N601 VanDerWaalsContact O-CG 3.23Å; Q597-N601 PolarHBondContact O-N 3.08Å; Q597-N601 PolarHBondContact O-ND2 3.1Å |
| 598 | C | 98.4 | Very high | 93.7 | Very high | 37 Ų | 37 | 76.6 Ų | 76.6 | 25% | 0.25 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -60.1 | -40.4 | 174.3 | -65.6 | 0 | 0 | 0 | 0 | 112.3 | F525 W594 Q595 F596 Q602 | F525-C598 HydrophobicContact CD2-CB 3.7Å; F525-C598 HydrophobicContact CE2-CB 4.08Å; F525-C598 WeakPolarHBondContact CE2-O 3.49Å; F525-C598 HydrophobicContact CG-CB 4.25Å; W594-C598 PolarHBondContact O-N 3.3Å; W594-C598 PolarHBondContact O-SG 3.07Å; Q595-C598 PolarHBondContact O-N 3.41Å; F596-C598 VanDerWaalsContact C-N 3.34Å; F596-C598 PolarHBondContact O-N 2.99Å; C598-Q602 WeakPolarHBondContact O-CB 3.32Å; C598-Q602 PolarHBondContact O-N 2.61Å; C598-Q602 VanDerWaalsContact O-N 3.09Å |
| 599 | I | 98.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 79 Ų | 79 | 0% | 0 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -63.2 | -46 | 175.7 | -66.9 | 170 | 0 | 0 | 0 | 110.3 | P524 F525 F528 A545 V548 Q595 F596 Q597 Q602 I603 | P524-I599 HydrophobicContact CB-CD1 4.21Å; F525-I599 HydrophobicContact CB-CG1 4.47Å; F525-I599 HydrophobicContact CD2-CG1 3.93Å; F528-I599 HydrophobicContact CB-CD1 4.07Å; F528-I599 HydrophobicContact CB-CG1 4.04Å; F528-I599 HydrophobicContact CD1-CB 4.5Å; F528-I599 HydrophobicContact CD1-CG1 4.2Å; F528-I599 HydrophobicContact CD1-CG2 4.07Å; F528-I599 HydrophobicContact CD2-CG2 3.94Å; F528-I599 HydrophobicContact CE1-CG2 4.24Å; F528-I599 HydrophobicContact CE2-CG2 4.13Å; F528-I599 HydrophobicContact CG-CG1 4.14Å; F528-I599 HydrophobicContact CG-CG2 3.91Å; F528-I599 HydrophobicContact CZ-CG2 4.28Å; A545-I599 HydrophobicContact CB-CG2 3.48Å; A545-I599 VanDerWaalsContact CB-CG2 3.48Å; V548-I599 HydrophobicContact CG1-CD1 4.1Å; Q595-I599 WeakPolarHBondContact O-CG1 3.43Å; Q595-I599 PolarHBondContact O-N 2.95Å; F596-I599 HydrophobicContact CD1-CD1 4.32Å; F596-I599 WeakPolarHBondContact O-CB 3.28Å; F596-I599 PolarHBondContact O-N 2.93Å; Q597-I599 VanDerWaalsContact C-N 3.3Å; Q597-I599 PolarHBondContact O-N 3Å; I599-Q602 PolarHBondContact O-N 3.14Å; I599-I603 HydrophobicContact CG2-CD1 4.11Å; I599-I603 WeakPolarHBondContact O-CG1 3.35Å; I599-I603 PolarHBondContact O-N 3.2Å |
| 600 | D | 97.9 | Very high | 89 | Confident | 68 Ų | 68 | 80.3 Ų | 80.3 | 36% | 0.364 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -63 | -45.8 | -179.9 | -67.8 | -36.8 | 0 | 0 | 0 | 112 | K549 F596 Q597 Q602 I603 S604 | K549-D600 IonicContact NZ-OD1 2.87Å; K549-D600 PolarHBondContact NZ-OD1 3.24Å; K549-D600 IonicContact NZ-OD2 3.56Å; K549-D600 PolarHBondContact NZ-OD2 3.25Å; F596-D600 PolarHBondContact O-N 3.32Å; F596-D600 VanDerWaalsContact O-OD2 3.09Å; Q597-D600 PolarHBondContact O-N 2.99Å; D600-Q602 VanDerWaalsContact C-N 3.26Å; D600-Q602 PolarHBondContact O-N 3.38Å; D600-I603 PolarHBondContact O-N 3.16Å; D600-I603 VanDerWaalsContact O-N 3.14Å; D600-S604 PolarHBondContact O-N 3.47Å; D600-S604 PolarHBondContact O-OG 3.26Å; D600-S604 VanDerWaalsContact O-OG 3.13Å |
| 601 | N | 97.4 | Very high | 86.5 | Confident | 95 Ų | 95 | 86 Ų | 86 | 51% | 0.508 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -58.5 | -39.9 | 176 | -69.9 | -14.6 | 0 | 0 | 0 | 111.7 | Q597 S604 Q605 | Q597-N601 WeakPolarHBondContact O-CB 3.5Å; Q597-N601 VanDerWaalsContact O-CG 3.23Å; Q597-N601 PolarHBondContact O-N 3.08Å; Q597-N601 PolarHBondContact O-ND2 3.1Å; N601-S604 PolarHBondContact O-N 3.09Å; N601-Q605 VanDerWaalsContact O-CG 3.3Å; N601-Q605 WeakPolarHBondContact O-CG 3.42Å; N601-Q605 PolarHBondContact O-N 3.29Å |
| 602 | Q | 96.8 | Very high | 83.9 | Confident | 69 Ų | 69 | 89.2 Ų | 89.2 | 32% | 0.322 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.9 | -40.6 | 177.7 | -168.9 | 66.9 | 34.4 | 0 | 0 | 111.5 | F525 F528 C598 I599 D600 S604 Q605 M606 | F525-Q602 HydrophobicContact CE2-CB 3.95Å; F525-Q602 HydrophobicContact CE2-CG 4.35Å; F525-Q602 HydrophobicContact CZ-CB 4.49Å; F528-Q602 HydrophobicContact CE1-CB 4.06Å; F528-Q602 HydrophobicContact CE1-CG 3.94Å; C598-Q602 WeakPolarHBondContact O-CB 3.32Å; C598-Q602 PolarHBondContact O-N 2.61Å; C598-Q602 VanDerWaalsContact O-N 3.09Å; I599-Q602 PolarHBondContact O-N 3.14Å; D600-Q602 VanDerWaalsContact C-N 3.26Å; D600-Q602 PolarHBondContact O-N 3.38Å; Q602-S604 VanDerWaalsContact C-N 3.35Å; Q602-Q605 PolarHBondContact O-N 3.33Å; Q602-M606 HydrophobicContact CG-CE 3.96Å; Q602-M606 WeakPolarHBondContact O-CG 3.46Å; Q602-M606 PolarHBondContact O-N 3.29Å |
| 603 | I | 95.1 | Very high | 81.2 | Confident | 35 Ų | 35 | 90.7 Ų | 90.7 | 18% | 0.179 | 52% | 0.515 | C | S | . | . | H | α-helix | trans | -61.6 | -44.6 | 174.2 | -71.1 | 168.7 | 0 | 0 | 0 | 110.6 | F528 I542 A545 I599 D600 Q605 M606 | F528-I603 HydrophobicContact CE2-CD1 4.3Å; F528-I603 HydrophobicContact CE2-CG1 4.23Å; F528-I603 HydrophobicContact CZ-CD1 4.27Å; F528-I603 HydrophobicContact CZ-CG1 3.74Å; I542-I603 HydrophobicContact CG1-CG2 4.01Å; A545-I603 HydrophobicContact CB-CD1 3.29Å; I599-I603 HydrophobicContact CG2-CD1 4.11Å; I599-I603 WeakPolarHBondContact O-CG1 3.35Å; I599-I603 PolarHBondContact O-N 3.2Å; D600-I603 PolarHBondContact O-N 3.16Å; D600-I603 VanDerWaalsContact O-N 3.14Å; I603-Q605 PolarHBondContact O-N 3.45Å; I603-M606 PolarHBondContact O-N 2.89Å |
| 604 | S | 93.1 | Very high | 78.4 | Confident | 102 Ų | 102 | 93.6 Ų | 93.6 | 71% | 0.713 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.2 | -23.1 | 179.4 | -58 | 0 | 0 | 0 | 0 | 113.7 | D600 N601 Q602 | D600-S604 PolarHBondContact O-N 3.47Å; D600-S604 PolarHBondContact O-OG 3.26Å; D600-S604 VanDerWaalsContact O-OG 3.13Å; N601-S604 PolarHBondContact O-N 3.09Å; Q602-S604 VanDerWaalsContact C-N 3.35Å |
| 605 | Q | 90.6 | Very high | 75.6 | Confident | 142 Ų | 142 | 94.3 Ų | 94.3 | 66% | 0.664 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -89.8 | -12 | 176.8 | -69.4 | 172.8 | 17.9 | 0 | 0 | 113.3 | N601 Q602 I603 | N601-Q605 VanDerWaalsContact O-CG 3.3Å; N601-Q605 WeakPolarHBondContact O-CG 3.42Å; N601-Q605 PolarHBondContact O-N 3.29Å; Q602-Q605 PolarHBondContact O-N 3.33Å; I603-Q605 PolarHBondContact O-N 3.45Å |
| 606 | M | 85.7 | Confident | 72.9 | Confident | 51 Ų | 51 | 93.9 Ų | 93.9 | 25% | 0.251 | 56% | 0.555 | S | S | . | * | S | Bend | trans | -73 | 134.2 | 177.1 | -71.8 | -179.8 | -171.4 | 0 | 0 | 109.6 | F528 I532 P541 Q602 I603 A608 | F528-M606 HydrophobicContact CE1-CE 4.05Å; F528-M606 HydrophobicContact CZ-CE 3.79Å; I532-M606 HydrophobicContact CD1-CE 3.63Å; P541-M606 HydrophobicContact CB-CE 4.46Å; P541-M606 HydrophobicContact CB-SD 3.63Å; P541-M606 HydrophobicContact CG-SD 3.8Å; Q602-M606 HydrophobicContact CG-CE 3.96Å; Q602-M606 WeakPolarHBondContact O-CG 3.46Å; Q602-M606 PolarHBondContact O-N 3.29Å; I603-M606 PolarHBondContact O-N 2.89Å; M606-A608 PolarHBondContact O-N 3.43Å |
| 607 | P | 73.6 | Confident | 70.1 | Confident | 115 Ų | 115 | 104 Ų | 104 | 75% | 0.747 | 59% | 0.593 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 136.9 | 172.6 | 24 | -30.8 | 0 | 0 | 0 | 108.9 | S609 | P607-S609 PolarHBondContact O-N 2.75Š|
| 608 | A | 60.3 | Low | 67 | Low | 96 Ų | 96 | 107.3 Ų | 107.3 | 79% | 0.793 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 119.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 107.6 | M606 | M606-A608 PolarHBondContact O-N 3.43Š|
| 609 | S | 53.9 | Low | 64.1 | Low | 96 Ų | 96 | 114.6 Ų | 114.6 | 67% | 0.671 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 132.1 | 172.7 | -66.3 | 0 | 0 | 0 | 0 | 107.8 | P607 D611 | P607-S609 PolarHBondContact O-N 2.75Å; S609-D611 PolarHBondContact O-N 3.38Å |
| 610 | P | 43.7 | Very low | 60.9 | Low | 121 Ų | 121 | 127.5 Ų | 127.5 | 79% | 0.786 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 127.7 | 171.2 | 23.8 | -29.7 | 0 | 0 | 0 | 107 | N612 | P610-N612 PolarHBondContact O-N 3.08Š|
| 611 | D | 44.7 | Very low | 59.1 | Low | 157 Ų | 157 | 130.5 Ų | 130.5 | 84% | 0.84 | 72% | 0.721 | S | S | * | * | trans | -45 | 139.6 | 175.9 | -87.1 | -43.1 | 0 | 0 | 0 | 110.2 | S609 G613 | S609-D611 PolarHBondContact O-N 3.38Å; D611-G613 PolarHBondContact O-N 2.89Å | ||
| 612 | N | 42.3 | Very low | 57.1 | Low | 177 Ų | 177 | 132.4 Ų | 132.4 | 95% | 0.947 | 73% | 0.732 | S | S | * | * | trans | -66.2 | 62.1 | 156.1 | -81.2 | -28.2 | 0 | 0 | 0 | 109 | P610 | P610-N612 PolarHBondContact O-N 3.08Š| ||
| 613 | G | 42.2 | Very low | 54.9 | Low | 63 Ų | 63 | 135.9 Ų | 135.9 | 65% | 0.649 | 75% | 0.754 | S | S | * | * | trans | -99.9 | 73.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | D611 | D611-G613 PolarHBondContact O-N 2.89Š| ||
| 614 | D | 38.8 | Very low | 52.5 | Low | 149 Ų | 149 | 141.8 Ų | 141.8 | 80% | 0.797 | 79% | 0.788 | S | S | * | * | trans | -156.6 | 68.7 | 154.4 | -134.7 | -6.1 | 0 | 0 | 0 | 111.5 | ||||
| 615 | Q | 39.5 | Very low | 50 | Low | 206 Ų | 206 | 144.3 Ų | 144.3 | 96% | 0.963 | 79% | 0.793 | S | S | * | * | trans | -122.4 | 85 | 151.5 | -85.4 | -169.2 | -9.9 | 0 | 0 | 107.2 | ||||
| 616 | G | 41.3 | Very low | 47.3 | Very low | 57 Ų | 57 | 144.5 Ų | 144.5 | 59% | 0.588 | 80% | 0.802 | S | S | * | * | trans | 159.1 | 76.7 | 167.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 617 | R | 39.1 | Very low | 44.5 | Very low | 239 Ų | 239 | 151.1 Ų | 151.1 | 90% | 0.902 | 84% | 0.841 | S | S | * | * | trans | 172.3 | 98.1 | 133.9 | -97.6 | 167.5 | -175.4 | -175 | 1.9 | 110.9 | ||||
| 618 | L | 33.9 | Very low | 42.3 | Very low | 179 Ų | 179 | 153.9 Ų | 153.9 | 94% | 0.937 | 85% | 0.848 | S | S | * | * | trans | -132.4 | 82.8 | 147.6 | -82.9 | 168.3 | 0 | 0 | 0 | 106.4 | ||||
| 619 | E | 37.7 | Very low | 40.8 | Very low | 190 Ų | 190 | 158.8 Ų | 158.8 | 89% | 0.888 | 85% | 0.853 | S | S | * | * | trans | -103.2 | 104 | 148.9 | -80.8 | -176.3 | 160.3 | 0 | 0 | 105.7 | ||||
| 620 | E | 32.2 | Very low | 39.6 | Very low | 271 Ų | 271 | 164.5 Ų | 164.5 | 100% | 1.266 | 87% | 0.869 | S | S | * | * | -179.4 | 0 | 129.7 | -99.6 | -175.1 | 174.4 | 0 | 0 | 110.2 |
Retrieved 620 of 620 residues in 183.4 ms
(Link to these results)