| 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 | 31.1 | Very low | 64.1 | Low | 246 Ų | 246 | 90.5 Ų | 90.5 | 100% | 1.212 | 51% | 0.513 | S | S | * | . | 0 | 129.3 | 0 | -71 | 160.5 | 170.3 | 0 | 0 | 105.9 | |||||
| 2 | A | 34.8 | Very low | 66.7 | Low | 60 Ų | 60 | 83.9 Ų | 83.9 | 50% | 0.496 | 48% | 0.477 | S | S | . | . | trans | -71.3 | 152.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | E6 | A2-E6 HydrophobicContact CB-CB 4.14Å; A2-E6 WeakPolarHBondContact CB-OE2 3.47Å | ||
| 3 | S | 45.4 | Very low | 69 | Low | 59 Ų | 59 | 90.3 Ų | 90.3 | 41% | 0.413 | 49% | 0.489 | S | S | . | . | trans | -78.6 | 160.8 | 165.7 | 77.3 | 0 | 0 | 0 | 0 | 110.2 | S5 E6 | S3-S5 PolarHBondContact O-N 3.08Å; S3-S5 VanDerWaalsContact O-N 3.09Å; S3-S5 PolarHBondContact OG-N 3.3Å; S3-E6 PolarHBondContact O-N 2.95Å | ||
| 4 | E | 51.4 | Low | 71.1 | Confident | 171 Ų | 171 | 85.6 Ų | 85.6 | 80% | 0.799 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -12 | 176.5 | -63.6 | 177.2 | 125.8 | 0 | 0 | 113.3 | T7 | E4-T7 PolarHBondContact O-OG1 3.17Š|
| 5 | S | 53 | Low | 73 | Confident | 18 Ų | 18 | 83.3 Ų | 83.3 | 13% | 0.126 | 45% | 0.449 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -21.4 | 172.3 | -157.3 | 0 | 0 | 0 | 0 | 113.4 | S3 T344 L345 P346 | S3-S5 PolarHBondContact O-N 3.08Å; S3-S5 VanDerWaalsContact O-N 3.09Å; S3-S5 PolarHBondContact OG-N 3.3Å; S5-T344 PolarHBondContact OG-O 3.49Å; S5-L345 WeakPolarHBondContact OG-CA 3Å; S5-P346 WeakPolarHBondContact OG-CD 3.34Å |
| 6 | E | 58.9 | Low | 74.6 | Confident | 98 Ų | 98 | 81.8 Ų | 81.8 | 46% | 0.458 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -24.8 | 178.2 | -71.1 | -179.7 | -162.9 | 0 | 0 | 112.5 | A2 S3 R41 | A2-E6 HydrophobicContact CB-CB 4.14Å; A2-E6 WeakPolarHBondContact CB-OE2 3.47Å; S3-E6 PolarHBondContact O-N 2.95Å; E6-R41 PolarHBondContact O-NH1 2.83Å |
| 7 | T | 72.1 | Confident | 76 | Confident | 88 Ų | 88 | 77.9 Ų | 77.9 | 54% | 0.54 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -80.7 | -17.5 | -174.7 | 56 | 0 | 0 | 0 | 0 | 113.8 | E4 P10 | E4-T7 PolarHBondContact O-OG1 3.17Å; T7-P10 WeakPolarHBondContact O-CD 3.18Å |
| 8 | L | 83.6 | Confident | 77.2 | Confident | 65 Ų | 65 | 82.9 Ų | 82.9 | 34% | 0.34 | 44% | 0.435 | S | S | . | . | S | Bend | trans | -90.3 | 131.5 | -178.9 | -64.4 | 164.1 | 0 | 0 | 0 | 110.6 | R41 L354 | L8-R41 WeakPolarHBondContact O-CD 3.17Å; L8-R41 PolarHBondContact O-NH1 2.91Å; L8-L354 HydrophobicContact CD1-CD2 4.49Å |
| 9 | N | 92.3 | Very high | 78.3 | Confident | 20 Ų | 20 | 78.9 Ų | 78.9 | 11% | 0.107 | 41% | 0.414 | C | S | . | . | S | Bend | trans | 37.1 | 59.3 | -166.3 | -168.3 | 5.9 | 0 | 0 | 0 | 114 | S11 A12 R13 M15 G38 | N9-S11 PolarHBondContact O-N 3Å; N9-S11 VanDerWaalsContact O-N 3.11Å; N9-S11 PolarHBondContact OD1-OG 2.73Å; N9-A12 PolarHBondContact O-N 3.39Å; N9-A12 PolarHBondContact OD1-N 3.09Å; N9-R13 PolarHBondContact ND2-O 2.74Å; N9-R13 PolarHBondContact OD1-N 2.77Å; N9-M15 HydrophobicContact CB-SD 4.2Å; N9-G38 VanDerWaalsContact CB-O 3.26Å; N9-G38 WeakPolarHBondContact CB-O 3.46Å; N9-G38 PolarHBondContact ND2-O 2.74Å |
| 10 | P | 90.3 | Very high | 79.3 | Confident | 96 Ų | 96 | 78.9 Ų | 78.9 | 62% | 0.623 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -11.8 | -173.4 | 31.1 | -34.9 | 0 | 0 | 0 | 112.9 | T7 | T7-P10 WeakPolarHBondContact O-CD 3.18Š|
| 11 | S | 92.3 | Very high | 80.2 | Confident | 75 Ų | 75 | 77.3 Ų | 77.3 | 52% | 0.524 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -5.9 | 171.4 | 52.3 | 0 | 0 | 0 | 0 | 114.5 | N9 R13 | N9-S11 PolarHBondContact O-N 3Å; N9-S11 VanDerWaalsContact O-N 3.11Å; N9-S11 PolarHBondContact OD1-OG 2.73Å; S11-R13 VanDerWaalsContact C-N 3.25Å; S11-R13 PolarHBondContact O-N 3.27Å |
| 12 | A | 95.3 | Very high | 83.3 | Confident | 11 Ų | 11 | 72.9 Ų | 72.9 | 9% | 0.091 | 39% | 0.385 | C | S | . | . | trans | 47.1 | 44.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | N9 R41 A42 P212 | N9-A12 PolarHBondContact O-N 3.39Å; N9-A12 PolarHBondContact OD1-N 3.09Å; A12-R41 HydrophobicContact CB-CB 4.24Å; A12-A42 WeakPolarHBondContact O-CA 3.42Å; A12-P212 HydrophobicContact CB-CB 4.15Å; A12-P212 HydrophobicContact CB-CG 3.76Å | ||
| 13 | R | 97.2 | Very high | 86.2 | Confident | 167 Ų | 167 | 73.8 Ų | 73.8 | 63% | 0.63 | 38% | 0.379 | S | S | * | . | P | Polyproline II helix | trans | -92.4 | 151.4 | -179.7 | -77.9 | -174.1 | 178.5 | -172.5 | 1 | 112 | N9 S11 M15 A42 D258 | N9-R13 PolarHBondContact ND2-O 2.74Å; N9-R13 PolarHBondContact OD1-N 2.77Å; S11-R13 VanDerWaalsContact C-N 3.25Å; S11-R13 PolarHBondContact O-N 3.27Å; R13-M15 PolarHBondContact O-N 2.61Å; R13-A42 VanDerWaalsContact C-CB 3.45Å; R13-A42 VanDerWaalsContact O-CB 3.32Å; R13-A42 WeakPolarHBondContact O-CB 3.44Å; R13-D258 WeakPolarHBondContact CA-OD2 3.01Å |
| 14 | I | 98.5 | Very high | 88.7 | Confident | 24 Ų | 24 | 71 Ų | 71 | 12% | 0.123 | 36% | 0.359 | C | S | . | . | P | Polyproline II helix | trans | -62.6 | 123.8 | 176.8 | -65.3 | 165.6 | 0 | 0 | 0 | 109 | A42 L44 D258 V260 | I14-A42 HydrophobicContact CG1-CB 4.3Å; I14-L44 HydrophobicContact CD1-CD2 4.07Å; I14-L44 HydrophobicContact CG1-CB 4.37Å; I14-D258 HydrophobicContact CD1-CB 3.71Å; I14-D258 HydrophobicContact CG1-CB 3.9Å; I14-D258 PolarHBondContact N-OD2 3.45Å; I14-V260 HydrophobicContact CD1-CB 4.03Å; I14-V260 HydrophobicContact CD1-CG1 3.83Å; I14-V260 HydrophobicContact CG2-CB 4.18Å; I14-V260 HydrophobicContact CG2-CG1 4.16Å; I14-V260 HydrophobicContact CG2-CG2 4.37Å |
| 15 | M | 98.5 | Very high | 90.9 | Very high | 52 Ų | 52 | 69.5 Ų | 69.5 | 26% | 0.256 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 148.8 | 178.2 | -62.5 | -179.5 | 73.5 | 0 | 0 | 110.3 | N9 R13 F17 Q37 A39 K46 | N9-M15 HydrophobicContact CB-SD 4.2Å; R13-M15 PolarHBondContact O-N 2.61Å; M15-F17 HydrophobicContact CB-CD2 4.38Å; M15-F17 HydrophobicContact CB-CE2 3.51Å; M15-F17 HydrophobicContact CB-CZ 3.78Å; M15-F17 HydrophobicContact CE-CE1 4.26Å; M15-F17 HydrophobicContact CE-CZ 3.81Å; M15-F17 HydrophobicContact SD-CZ 4.13Å; M15-Q37 HydrophobicContact CE-CB 3.97Å; M15-A39 HydrophobicContact CB-CB 4.36Å; M15-A39 HydrophobicContact SD-CB 4.09Å; M15-K46 PolarHBondContact O-N 3.37Å |
| 16 | T | 98.8 | Very high | 92.9 | Very high | 59 Ų | 59 | 72.7 Ų | 72.7 | 36% | 0.362 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 129.3 | 174.2 | -59.9 | 0 | 0 | 0 | 0 | 109.3 | Y18 K46 V48 | T16-Y18 HydrophobicContact CG2-CD2 4.41Å; T16-Y18 HydrophobicContact CG2-CE2 3.65Å; T16-K46 WeakPolarHBondContact CA-O 3.3Å; T16-K46 HydrophobicContact CG2-CB 4.13Å; T16-K46 HydrophobicContact CG2-CD 3.64Å; T16-K46 HydrophobicContact CG2-CG 3.98Å; T16-V48 HydrophobicContact CG2-CG2 4.08Å |
| 17 | F | 98.7 | Very high | 94.8 | Very high | 16 Ų | 16 | 68.6 Ų | 68.6 | 7% | 0.07 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 148.3 | -177.3 | -61.8 | -88.5 | 0 | 0 | 0 | 111.7 | M15 Y30 Y33 I34 Q37 A39 A45 K46 V47 V48 | M15-F17 HydrophobicContact CB-CD2 4.38Å; M15-F17 HydrophobicContact CB-CE2 3.51Å; M15-F17 HydrophobicContact CB-CZ 3.78Å; M15-F17 HydrophobicContact CE-CE1 4.26Å; M15-F17 HydrophobicContact CE-CZ 3.81Å; M15-F17 HydrophobicContact SD-CZ 4.13Å; F17-Y30 HydrophobicContact CB-CE1 4.12Å; F17-Y33 HydrophobicContact CD1-CE1 4.19Å; F17-Y33 HydrophobicContact CE1-CE1 4.34Å; F17-I34 HydrophobicContact CB-CG2 4.38Å; F17-I34 HydrophobicContact CD1-CG2 3.72Å; F17-I34 HydrophobicContact CD2-CB 4.11Å; F17-I34 HydrophobicContact CD2-CG2 3.57Å; F17-I34 HydrophobicContact CE1-CB 4.15Å; F17-I34 HydrophobicContact CE1-CG2 3.78Å; F17-I34 HydrophobicContact CE2-CB 3.66Å; F17-I34 HydrophobicContact CE2-CG2 3.64Å; F17-I34 HydrophobicContact CG-CG2 3.61Å; F17-I34 HydrophobicContact CZ-CB 3.69Å; F17-I34 HydrophobicContact CZ-CG2 3.75Å; F17-Q37 HydrophobicContact CE1-CB 4.09Å; F17-Q37 HydrophobicContact CE1-CG 4.13Å; F17-Q37 HydrophobicContact CZ-CB 4.18Å; F17-A39 HydrophobicContact CE2-CB 3.74Å; F17-A39 HydrophobicContact CZ-CB 3.91Å; F17-A45 HydrophobicContact CE2-CB 4.35Å; F17-K46 PolarHBondContact N-O 3.04Å; F17-V47 HydrophobicContact CB-CG1 4.5Å; F17-V47 HydrophobicContact CB-CG2 4.35Å; F17-V48 PolarHBondContact O-N 2.93Å |
| 18 | Y | 98.5 | Very high | 95.9 | Very high | 167 Ų | 167 | 66.6 Ų | 66.6 | 66% | 0.655 | 33% | 0.332 | S | S | * | . | trans | -130.6 | 72.3 | -178.5 | -63.8 | -89.7 | 0 | 0 | 0 | 109.7 | T16 V48 | T16-Y18 HydrophobicContact CG2-CD2 4.41Å; T16-Y18 HydrophobicContact CG2-CE2 3.65Å; Y18-V48 HydrophobicContact CD1-CB 3.64Å; Y18-V48 HydrophobicContact CD1-CG1 4.05Å; Y18-V48 HydrophobicContact CD1-CG2 4.1Å; Y18-V48 HydrophobicContact CE1-CB 3.63Å; Y18-V48 HydrophobicContact CE1-CG1 3.93Å; Y18-V48 HydrophobicContact CE1-CG2 3.61Å | ||
| 19 | P | 98.1 | Very high | 96.5 | Very high | 7 Ų | 7 | 69.5 Ų | 69.5 | 5% | 0.045 | 34% | 0.339 | C | S | . | . | trans | -59.1 | 146.1 | 178.9 | 20.9 | -32.7 | 0 | 0 | 0 | 113.2 | E23 F24 Y30 V47 V48 | P19-E23 HydrophobicContact CB-CB 4.11Å; P19-F24 HydrophobicContact CB-CB 4.13Å; P19-F24 HydrophobicContact CB-CD2 4.39Å; P19-F24 HydrophobicContact CG-CB 4.36Å; P19-F24 HydrophobicContact CG-CD2 3.74Å; P19-F24 HydrophobicContact CG-CG 4.5Å; P19-Y30 HydrophobicContact CB-CD2 4.41Å; P19-Y30 HydrophobicContact CB-CE1 4.08Å; P19-Y30 HydrophobicContact CB-CE2 3.79Å; P19-Y30 HydrophobicContact CG-CE1 4.04Å; P19-V47 HydrophobicContact CG-CG1 3.73Å; P19-V48 WeakPolarHBondContact CD-O 3.45Å | ||
| 20 | T | 97.8 | Very high | 96.8 | Very high | 79 Ų | 79 | 69 Ų | 69 | 49% | 0.485 | 34% | 0.336 | S | S | . | . | trans | -69.3 | 161.4 | 158.8 | 63.6 | 0 | 0 | 0 | 0 | 110.9 | E22 E23 F24 | T20-E22 PolarHBondContact O-N 2.85Å; T20-E22 VanDerWaalsContact O-N 3.15Å; T20-E23 VanDerWaalsContact CB-OE2 3.3Å; T20-E23 WeakPolarHBondContact CB-OE2 3.48Å; T20-E23 WeakPolarHBondContact CG2-OE2 3.48Å; T20-E23 PolarHBondContact N-OE2 2.79Å; T20-E23 PolarHBondContact O-N 2.97Å; T20-E23 WeakPolarHBondContact OG1-CG 3.39Å; T20-E23 PolarHBondContact OG1-N 3.28Å; T20-E23 PolarHBondContact OG1-OE2 3.4Å; T20-F24 VanDerWaalsContact O-CB 3.26Å; T20-F24 WeakPolarHBondContact O-CB 3.22Å; T20-F24 PolarHBondContact O-N 2.83Å | ||
| 21 | M | 97.4 | Very high | 97.2 | Very high | 46 Ų | 46 | 64.4 Ų | 64.4 | 23% | 0.227 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.6 | -16.5 | 178.1 | -170.6 | 57.6 | -167.7 | 0 | 0 | 114 | F24 P50 W53 E147 | M21-F24 HydrophobicContact SD-CD1 4.16Å; M21-P50 HydrophobicContact CB-CB 4.21Å; M21-P50 HydrophobicContact CB-CG 4.02Å; M21-P50 HydrophobicContact SD-CB 4.39Å; M21-P50 HydrophobicContact SD-CG 4Å; M21-W53 HydrophobicContact SD-CB 4.24Å; M21-E147 HydrophobicContact CE-CG 3.86Å; M21-E147 WeakPolarHBondContact CE-OE1 3.4Å |
| 22 | E | 96.5 | Very high | 97.4 | Very high | 152 Ų | 152 | 61 Ų | 61 | 71% | 0.71 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -78.8 | -47.3 | 171.9 | -176.7 | 163.4 | -163.7 | 0 | 0 | 112 | T20 R25 | T20-E22 PolarHBondContact O-N 2.85Å; T20-E22 VanDerWaalsContact O-N 3.15Å; E22-R25 WeakPolarHBondContact O-CB 3.12Å; E22-R25 PolarHBondContact O-N 3.16Å |
| 23 | E | 96.6 | Very high | 97.6 | Very high | 79 Ų | 79 | 63.6 Ų | 63.6 | 37% | 0.369 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63.4 | -42.3 | 174.9 | -65.9 | 163.9 | 109 | 0 | 0 | 111.7 | P19 T20 R25 N26 Y30 | P19-E23 HydrophobicContact CB-CB 4.11Å; T20-E23 VanDerWaalsContact CB-OE2 3.3Å; T20-E23 WeakPolarHBondContact CB-OE2 3.48Å; T20-E23 WeakPolarHBondContact CG2-OE2 3.48Å; T20-E23 PolarHBondContact N-OE2 2.79Å; T20-E23 PolarHBondContact O-N 2.97Å; T20-E23 WeakPolarHBondContact OG1-CG 3.39Å; T20-E23 PolarHBondContact OG1-N 3.28Å; T20-E23 PolarHBondContact OG1-OE2 3.4Å; E23-R25 PolarHBondContact O-N 3.09Å; E23-N26 PolarHBondContact O-N 2.84Å; E23-Y30 HydrophobicContact CB-CD2 3.85Å; E23-Y30 HydrophobicContact CB-CE2 3.8Å; E23-Y30 HydrophobicContact CG-CE2 4.43Å |
| 24 | F | 97.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.3 | -27.9 | 179.9 | -167.2 | -106.8 | 0 | 0 | 0 | 112.5 | P19 T20 M21 N26 P49 P50 W53 E147 W148 F267 | P19-F24 HydrophobicContact CB-CB 4.13Å; P19-F24 HydrophobicContact CB-CD2 4.39Å; P19-F24 HydrophobicContact CG-CB 4.36Å; P19-F24 HydrophobicContact CG-CD2 3.74Å; P19-F24 HydrophobicContact CG-CG 4.5Å; T20-F24 VanDerWaalsContact O-CB 3.26Å; T20-F24 WeakPolarHBondContact O-CB 3.22Å; T20-F24 PolarHBondContact O-N 2.83Å; M21-F24 HydrophobicContact SD-CD1 4.16Å; F24-N26 PolarHBondContact O-N 2.99Å; F24-N26 VanDerWaalsContact O-N 3.11Å; F24-P49 HydrophobicContact CD2-CB 4.46Å; F24-P49 HydrophobicContact CE1-CB 4.43Å; F24-P49 HydrophobicContact CE2-CB 3.76Å; F24-P49 HydrophobicContact CZ-CB 3.75Å; F24-P50 HydrophobicContact CB-CG 3.94Å; F24-P50 HydrophobicContact CD1-CG 4.34Å; F24-P50 HydrophobicContact CG-CG 4.08Å; F24-W53 HydrophobicContact CD1-CG 4.32Å; F24-W53 HydrophobicContact CE1-CB 4.49Å; F24-W53 AromaticContact CE1-CD1 3.76Å; F24-W53 AromaticContact CE1-CD2 3.63Å; F24-W53 HydrophobicContact CE1-CD2 3.63Å; F24-W53 AromaticContact CE1-CE2 3.65Å; F24-W53 HydrophobicContact CE1-CE3 4.24Å; F24-W53 AromaticContact CE1-CG 3.72Å; F24-W53 HydrophobicContact CE1-CG 3.72Å; F24-W53 HydrophobicContact CE1-CZ2 4.25Å; F24-W53 AromaticContact CE1-NE1 3.71Å; F24-W53 HydrophobicContact CZ-CD2 4.02Å; F24-W53 HydrophobicContact CZ-CE3 4.18Å; F24-W53 HydrophobicContact CZ-CG 4.5Å; F24-W53 HydrophobicContact CZ-CZ2 4.36Å; F24-W53 HydrophobicContact CZ-CZ3 4.41Å; F24-E147 HydrophobicContact CD1-CB 3.96Å; F24-E147 HydrophobicContact CE1-CB 3.9Å; F24-W148 AromaticContact CD1-CD1 3.83Å; F24-W148 AromaticContact CD2-CD1 3.7Å; F24-W148 HydrophobicContact CD2-CD2 4.09Å; F24-W148 AromaticContact CD2-CE2 3.64Å; F24-W148 HydrophobicContact CD2-CG 4.17Å; F24-W148 HydrophobicContact CD2-CZ2 4.19Å; F24-W148 AromaticContact CD2-NE1 3.38Å; F24-W148 HydrophobicContact CE1-CB 4.09Å; F24-W148 AromaticContact CE1-CD1 3.59Å; F24-W148 AromaticContact CE1-CG 3.88Å; F24-W148 HydrophobicContact CE1-CG 3.88Å; F24-W148 HydrophobicContact CE2-CB 4.26Å; F24-W148 AromaticContact CE2-CD1 3.47Å; F24-W148 VanDerWaalsContact CE2-CD1 3.47Å; F24-W148 AromaticContact CE2-CD2 3.42Å; F24-W148 HydrophobicContact CE2-CD2 3.42Å; F24-W148 VanDerWaalsContact CE2-CD2 3.42Å; F24-W148 AromaticContact CE2-CE2 3.48Å; F24-W148 VanDerWaalsContact CE2-CE2 3.48Å; F24-W148 HydrophobicContact CE2-CE3 4.04Å; F24-W148 AromaticContact CE2-CG 3.48Å; F24-W148 HydrophobicContact CE2-CG 3.48Å; F24-W148 VanDerWaalsContact CE2-CG 3.48Å; F24-W148 HydrophobicContact CE2-CZ2 4.18Å; F24-W148 AromaticContact CE2-NE1 3.48Å; F24-W148 AromaticContact CG-CD1 3.88Å; F24-W148 AromaticContact CG-NE1 3.77Å; F24-W148 HydrophobicContact CZ-CB 3.62Å; F24-W148 AromaticContact CZ-CD1 3.4Å; F24-W148 VanDerWaalsContact CZ-CD1 3.4Å; F24-W148 AromaticContact CZ-CD2 3.76Å; F24-W148 HydrophobicContact CZ-CD2 3.76Å; F24-W148 HydrophobicContact CZ-CE3 4.47Å; F24-W148 AromaticContact CZ-CG 3.31Å; F24-W148 HydrophobicContact CZ-CG 3.31Å; F24-W148 AromaticContact CZ-NE1 3.94Å; F24-W148 PolarHBondContact O-NE1 2.89Å; F24-F267 HydrophobicContact CE2-CD2 4.45Å; F24-F267 HydrophobicContact CE2-CE2 4.03Å; F24-F267 AromaticContact CZ-CE2 3.72Å; F24-F267 HydrophobicContact CZ-CE2 3.72Å; F24-F267 HydrophobicContact CZ-CZ 4.21Å |
| 25 | R | 96.8 | Very high | 97.6 | Very high | 141 Ų | 141 | 54.6 Ų | 54.6 | 53% | 0.532 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -24.8 | -176 | -166.1 | 177.7 | -64.5 | 118.4 | 2.8 | 114.2 | E22 E23 E147 | E22-R25 WeakPolarHBondContact O-CB 3.12Å; E22-R25 PolarHBondContact O-N 3.16Å; E23-R25 PolarHBondContact O-N 3.09Å; R25-E147 HydrophobicContact CB-CG 4.36Å; R25-E147 HydrophobicContact CG-CG 4.14Å |
| 26 | N | 96.2 | Very high | 97.5 | Very high | 85 Ų | 85 | 52.2 Ų | 52.2 | 46% | 0.455 | 24% | 0.243 | S | C | . | . | trans | -119.5 | 90.6 | -179.4 | -172.6 | -20.7 | 0 | 0 | 0 | 111.6 | E23 F24 S28 R29 Y30 | E23-N26 PolarHBondContact O-N 2.84Å; F24-N26 PolarHBondContact O-N 2.99Å; F24-N26 VanDerWaalsContact O-N 3.11Å; N26-S28 PolarHBondContact O-N 3.26Å; N26-R29 HydrophobicContact CB-CB 3.9Å; N26-R29 PolarHBondContact O-N 2.98Å; N26-R29 WeakPolarHBondContact OD1-CB 3.29Å; N26-R29 PolarHBondContact OD1-N 2.95Å; N26-R29 VanDerWaalsContact OD1-N 3.12Å; N26-Y30 PolarHBondContact O-N 2.94Å | ||
| 27 | F | 97.2 | Very high | 97.4 | Very high | 11 Ų | 11 | 52.8 Ų | 52.8 | 5% | 0.048 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -47.4 | -58.9 | 178.6 | 175.5 | -111.1 | 0 | 0 | 0 | 113.2 | R29 Y30 I31 W148 L153 T155 I197 I269 F291 | F27-R29 VanDerWaalsContact C-N 3.27Å; F27-R29 PolarHBondContact O-N 2.95Å; F27-Y30 PolarHBondContact O-N 2.83Å; F27-I31 HydrophobicContact CD2-CD1 4.43Å; F27-I31 HydrophobicContact CD2-CG1 4.15Å; F27-I31 HydrophobicContact CE1-CG1 4.14Å; F27-I31 HydrophobicContact CE2-CD1 3.71Å; F27-I31 HydrophobicContact CE2-CG1 3.72Å; F27-I31 HydrophobicContact CZ-CD1 3.96Å; F27-I31 HydrophobicContact CZ-CG1 3.72Å; F27-I31 WeakPolarHBondContact O-CG1 3.31Å; F27-I31 PolarHBondContact O-N 2.83Å; F27-W148 AromaticContact CD2-CD2 3.66Å; F27-W148 HydrophobicContact CD2-CD2 3.66Å; F27-W148 AromaticContact CD2-CE2 3.71Å; F27-W148 AromaticContact CD2-CE3 3.87Å; F27-W148 HydrophobicContact CD2-CE3 3.87Å; F27-W148 HydrophobicContact CD2-CG 4.2Å; F27-W148 HydrophobicContact CD2-CH2 4.07Å; F27-W148 AromaticContact CD2-CZ2 3.92Å; F27-W148 HydrophobicContact CD2-CZ2 3.92Å; F27-W148 HydrophobicContact CD2-CZ3 4.06Å; F27-W148 HydrophobicContact CE2-CD2 4.31Å; F27-W148 HydrophobicContact CE2-CE3 4.04Å; F27-W148 HydrophobicContact CE2-CH2 4.2Å; F27-W148 AromaticContact CE2-CZ3 3.98Å; F27-W148 HydrophobicContact CE2-CZ3 3.98Å; F27-L153 HydrophobicContact CD1-CB 4.15Å; F27-L153 HydrophobicContact CD1-CD2 4.09Å; F27-L153 HydrophobicContact CE1-CB 4.09Å; F27-L153 HydrophobicContact CE1-CD1 4.33Å; F27-L153 HydrophobicContact CE1-CD2 3.99Å; F27-L153 HydrophobicContact CE1-CG 4.37Å; F27-L153 HydrophobicContact CE2-CD2 4.44Å; F27-L153 HydrophobicContact CG-CD2 4.36Å; F27-L153 HydrophobicContact CZ-CD2 4.17Å; F27-T155 HydrophobicContact CD1-CG2 4.14Å; F27-T155 HydrophobicContact CE1-CG2 3.87Å; F27-I197 HydrophobicContact CE2-CD1 3.81Å; F27-I197 HydrophobicContact CZ-CD1 4.27Å; F27-I269 HydrophobicContact CE2-CD1 4.25Å; F27-F291 HydrophobicContact CE1-CD1 4.4Å; F27-F291 AromaticContact CE1-CD2 3.87Å; F27-F291 HydrophobicContact CE1-CD2 3.87Å; F27-F291 HydrophobicContact CE1-CE2 4.02Å; F27-F291 HydrophobicContact CE1-CG 4.08Å; F27-F291 HydrophobicContact CE1-CZ 4.34Å; F27-F291 AromaticContact CZ-CD1 3.97Å; F27-F291 HydrophobicContact CZ-CD1 3.97Å; F27-F291 HydrophobicContact CZ-CD2 4.01Å; F27-F291 AromaticContact CZ-CE1 3.75Å; F27-F291 HydrophobicContact CZ-CE1 3.75Å; F27-F291 AromaticContact CZ-CE2 3.8Å; F27-F291 HydrophobicContact CZ-CE2 3.8Å; F27-F291 HydrophobicContact CZ-CG 4.1Å; F27-F291 AromaticContact CZ-CZ 3.66Å; F27-F291 HydrophobicContact CZ-CZ 3.66Å |
| 28 | S | 95.9 | Very high | 97.3 | Very high | 47 Ų | 47 | 52.1 Ų | 52.1 | 33% | 0.329 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -60.7 | -34.3 | -176.4 | -59.1 | 0 | 0 | 0 | 0 | 113.1 | N26 A32 | N26-S28 PolarHBondContact O-N 3.26Å; S28-A32 PolarHBondContact O-N 2.88Å |
| 29 | R | 96.7 | Very high | 97.3 | Very high | 125 Ų | 125 | 44.1 Ų | 44.1 | 47% | 0.472 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -70.1 | -40.7 | 173.4 | -173.1 | 176.8 | -165.2 | -137.4 | -6.7 | 111.7 | N26 F27 A32 Y33 E352 F353 | N26-R29 HydrophobicContact CB-CB 3.9Å; N26-R29 PolarHBondContact O-N 2.98Å; N26-R29 WeakPolarHBondContact OD1-CB 3.29Å; N26-R29 PolarHBondContact OD1-N 2.95Å; N26-R29 VanDerWaalsContact OD1-N 3.12Å; F27-R29 VanDerWaalsContact C-N 3.27Å; F27-R29 PolarHBondContact O-N 2.95Å; R29-A32 WeakPolarHBondContact O-CB 3.47Å; R29-A32 PolarHBondContact O-N 3.05Å; R29-Y33 PolarHBondContact O-N 2.98Å; R29-E352 IonicContact CZ-OE1 2.74Å; R29-E352 IonicContact NE-OE1 3.12Å; R29-E352 PolarHBondContact NE-OE1 3.38Å; R29-E352 IonicContact NH2-OE1 3.34Å; R29-E352 PolarHBondContact NH2-OE1 3.34Å; R29-F353 HydrophobicContact CG-CZ 3.89Å |
| 30 | Y | 98.3 | Very high | 97.3 | Very high | 10 Ų | 10 | 44 Ų | 44 | 4% | 0.039 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -70.7 | -32.9 | 178.7 | -154.9 | -101.9 | 0 | 0 | 0 | 112.9 | F17 P19 E23 N26 F27 A32 Y33 I34 V47 W148 | F17-Y30 HydrophobicContact CB-CE1 4.12Å; P19-Y30 HydrophobicContact CB-CD2 4.41Å; P19-Y30 HydrophobicContact CB-CE1 4.08Å; P19-Y30 HydrophobicContact CB-CE2 3.79Å; P19-Y30 HydrophobicContact CG-CE1 4.04Å; E23-Y30 HydrophobicContact CB-CD2 3.85Å; E23-Y30 HydrophobicContact CB-CE2 3.8Å; E23-Y30 HydrophobicContact CG-CE2 4.43Å; N26-Y30 PolarHBondContact O-N 2.94Å; F27-Y30 PolarHBondContact O-N 2.83Å; Y30-A32 VanDerWaalsContact C-N 3.33Å; Y30-Y33 HydrophobicContact CD2-CD1 4.06Å; Y30-Y33 HydrophobicContact CE1-CD1 4.42Å; Y30-Y33 AromaticContact CE2-CD1 3.57Å; Y30-Y33 HydrophobicContact CE2-CD1 3.57Å; Y30-Y33 AromaticContact CE2-CE1 3.99Å; Y30-Y33 HydrophobicContact CE2-CE1 3.99Å; Y30-Y33 HydrophobicContact CE2-CG 4.42Å; Y30-Y33 AromaticContact CZ-CD1 3.77Å; Y30-Y33 AromaticContact CZ-CE1 4Å; Y30-Y33 WeakPolarHBondContact O-CB 3.32Å; Y30-Y33 PolarHBondContact O-N 3.17Å; Y30-I34 HydrophobicContact CD1-CG2 3.94Å; Y30-I34 HydrophobicContact CE1-CG2 3.65Å; Y30-I34 PolarHBondContact O-N 2.87Å; Y30-V47 HydrophobicContact CE1-CG1 4.12Å; Y30-W148 HydrophobicContact CD1-CH2 4.14Å; Y30-W148 AromaticContact CD1-CZ2 3.78Å; Y30-W148 HydrophobicContact CD1-CZ2 3.78Å; Y30-W148 HydrophobicContact CG-CZ2 4.23Å |
| 31 | I | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.5 | -43.7 | 169.2 | -64.6 | -57.8 | 0 | 0 | 0 | 110.7 | F27 Y33 I34 E35 Y195 I269 F291 T293 | F27-I31 HydrophobicContact CD2-CD1 4.43Å; F27-I31 HydrophobicContact CD2-CG1 4.15Å; F27-I31 HydrophobicContact CE1-CG1 4.14Å; F27-I31 HydrophobicContact CE2-CD1 3.71Å; F27-I31 HydrophobicContact CE2-CG1 3.72Å; F27-I31 HydrophobicContact CZ-CD1 3.96Å; F27-I31 HydrophobicContact CZ-CG1 3.72Å; F27-I31 WeakPolarHBondContact O-CG1 3.31Å; F27-I31 PolarHBondContact O-N 2.83Å; I31-Y33 VanDerWaalsContact C-N 3.32Å; I31-Y33 PolarHBondContact O-N 3.43Å; I31-I34 HydrophobicContact CD1-CD1 3.96Å; I31-I34 WeakPolarHBondContact O-CG1 3.37Å; I31-I34 PolarHBondContact O-N 2.91Å; I31-E35 WeakPolarHBondContact O-CG 3.38Å; I31-E35 PolarHBondContact O-N 2.86Å; I31-E35 VanDerWaalsContact O-N 3.17Å; I31-Y195 HydrophobicContact CG2-CE1 4.36Å; I31-I269 HydrophobicContact CD1-CD1 4.04Å; I31-I269 HydrophobicContact CD1-CG1 4.07Å; I31-I269 HydrophobicContact CD1-CG2 4.16Å; I31-F291 HydrophobicContact CD1-CE2 4.33Å; I31-F291 HydrophobicContact CD1-CZ 3.94Å; I31-F291 HydrophobicContact CG1-CE2 4.04Å; I31-F291 HydrophobicContact CG1-CZ 4.16Å; I31-F291 HydrophobicContact CG2-CE2 4.19Å; I31-T293 HydrophobicContact CG2-CG2 3.88Å |
| 32 | A | 97.9 | Very high | 97.3 | Very high | 2 Ų | 2 | 39 Ų | 39 | 2% | 0.017 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.2 | -36.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | S28 R29 Y30 E35 S36 T347 E349 A350 F353 | S28-A32 PolarHBondContact O-N 2.88Å; R29-A32 WeakPolarHBondContact O-CB 3.47Å; R29-A32 PolarHBondContact O-N 3.05Å; Y30-A32 VanDerWaalsContact C-N 3.33Å; A32-E35 PolarHBondContact O-N 3.25Å; A32-S36 PolarHBondContact O-N 2.84Å; A32-T347 HydrophobicContact CB-CG2 4.12Å; A32-E349 HydrophobicContact CB-CB 3.86Å; A32-A350 HydrophobicContact CB-CB 4.37Å; A32-A350 VanDerWaalsContact O-CB 3.22Å; A32-A350 WeakPolarHBondContact O-CB 3.39Å; A32-F353 HydrophobicContact CB-CE2 4Å |
| 33 | Y | 98.3 | Very high | 97.4 | Very high | 67 Ų | 67 | 31.8 Ų | 31.8 | 26% | 0.263 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -65.1 | -49.1 | 173.9 | 170.7 | -102.5 | 0 | 0 | 0 | 112.8 | F17 R29 Y30 I31 E35 S36 Q37 F353 | F17-Y33 HydrophobicContact CD1-CE1 4.19Å; F17-Y33 HydrophobicContact CE1-CE1 4.34Å; R29-Y33 PolarHBondContact O-N 2.98Å; Y30-Y33 HydrophobicContact CD2-CD1 4.06Å; Y30-Y33 HydrophobicContact CE1-CD1 4.42Å; Y30-Y33 AromaticContact CE2-CD1 3.57Å; Y30-Y33 HydrophobicContact CE2-CD1 3.57Å; Y30-Y33 AromaticContact CE2-CE1 3.99Å; Y30-Y33 HydrophobicContact CE2-CE1 3.99Å; Y30-Y33 HydrophobicContact CE2-CG 4.42Å; Y30-Y33 AromaticContact CZ-CD1 3.77Å; Y30-Y33 AromaticContact CZ-CE1 4Å; Y30-Y33 WeakPolarHBondContact O-CB 3.32Å; Y30-Y33 PolarHBondContact O-N 3.17Å; I31-Y33 VanDerWaalsContact C-N 3.32Å; I31-Y33 PolarHBondContact O-N 3.43Å; Y33-E35 PolarHBondContact O-N 3.1Å; Y33-S36 PolarHBondContact O-N 3.44Å; Y33-S36 PolarHBondContact O-OG 3.12Å; Y33-Q37 HydrophobicContact CE1-CG 4.25Å; Y33-Q37 HydrophobicContact CE2-CG 4.11Å; Y33-Q37 WeakPolarHBondContact O-CG 3.47Å; Y33-Q37 PolarHBondContact O-N 2.75Å; Y33-Q37 VanDerWaalsContact O-N 3.14Å; Y33-F353 HydrophobicContact CD2-CD1 4Å; Y33-F353 HydrophobicContact CD2-CE1 4.21Å; Y33-F353 HydrophobicContact CD2-CG 4.22Å; Y33-F353 VanDerWaalsContact N-CE2 3.35Å |
| 34 | I | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -64.8 | -26.2 | 179.8 | 67.4 | 178.8 | 0 | 0 | 0 | 111.9 | F17 Y30 I31 Q37 G38 A39 F271 | F17-I34 HydrophobicContact CB-CG2 4.38Å; F17-I34 HydrophobicContact CD1-CG2 3.72Å; F17-I34 HydrophobicContact CD2-CB 4.11Å; F17-I34 HydrophobicContact CD2-CG2 3.57Å; F17-I34 HydrophobicContact CE1-CB 4.15Å; F17-I34 HydrophobicContact CE1-CG2 3.78Å; F17-I34 HydrophobicContact CE2-CB 3.66Å; F17-I34 HydrophobicContact CE2-CG2 3.64Å; F17-I34 HydrophobicContact CG-CG2 3.61Å; F17-I34 HydrophobicContact CZ-CB 3.69Å; F17-I34 HydrophobicContact CZ-CG2 3.75Å; Y30-I34 HydrophobicContact CD1-CG2 3.94Å; Y30-I34 HydrophobicContact CE1-CG2 3.65Å; Y30-I34 PolarHBondContact O-N 2.87Å; I31-I34 HydrophobicContact CD1-CD1 3.96Å; I31-I34 WeakPolarHBondContact O-CG1 3.37Å; I31-I34 PolarHBondContact O-N 2.91Å; I34-Q37 PolarHBondContact O-N 2.72Å; I34-G38 PolarHBondContact O-N 2.99Å; I34-A39 HydrophobicContact CB-CB 4.07Å; I34-A39 HydrophobicContact CG1-CB 4.42Å; I34-A39 WeakPolarHBondContact O-CB 3.39Å; I34-A39 PolarHBondContact O-N 3.06Å; I34-F271 HydrophobicContact CD1-CE1 4.48Å; I34-F271 HydrophobicContact CD1-CZ 3.85Å; I34-F271 HydrophobicContact CG1-CZ 4.24Å |
| 35 | E | 97.9 | Very high | 97.6 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.005 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -73.1 | -36.9 | 168.8 | -65.6 | -152.9 | 166.5 | 0 | 0 | 113.8 | I31 A32 Y33 Q37 G38 H40 Y195 F271 R295 P346 T347 | I31-E35 WeakPolarHBondContact O-CG 3.38Å; I31-E35 PolarHBondContact O-N 2.86Å; I31-E35 VanDerWaalsContact O-N 3.17Å; A32-E35 PolarHBondContact O-N 3.25Å; Y33-E35 PolarHBondContact O-N 3.1Å; E35-Q37 PolarHBondContact O-N 2.9Å; E35-G38 PolarHBondContact O-N 2.78Å; E35-H40 HydrophobicContact CG-CB 4Å; E35-H40 PolarHBondContact O-CE1 3.21Å; E35-H40 PolarHBondContact O-ND1 2.95Å; E35-Y195 WeakPolarHBondContact OE1-CE1 3.39Å; E35-Y195 PolarHBondContact OE1-OH 3.11Å; E35-F271 HydrophobicContact CG-CD1 4.43Å; E35-F271 HydrophobicContact CG-CE1 3.83Å; E35-F271 VanDerWaalsContact OE1-CD1 3.26Å; E35-F271 WeakPolarHBondContact OE1-CD1 3.36Å; E35-F271 WeakPolarHBondContact OE1-CE1 3.35Å; E35-R295 IonicContact OE1-CZ 3.95Å; E35-R295 VanDerWaalsContact OE1-CZ 3.31Å; E35-R295 IonicContact OE1-NE 3.69Å; E35-R295 PolarHBondContact OE1-NE 2.87Å; E35-R295 IonicContact OE1-NH2 2.77Å; E35-R295 PolarHBondContact OE1-NH2 2.92Å; E35-R295 IonicContact OE2-CZ 2.86Å; E35-R295 IonicContact OE2-NE 3.65Å; E35-R295 PolarHBondContact OE2-NE 2.88Å; E35-R295 IonicContact OE2-NH2 3.46Å; E35-P346 HydrophobicContact CB-CB 3.79Å; E35-P346 WeakPolarHBondContact O-CB 3.42Å; E35-T347 VanDerWaalsContact OE2-CB 3.23Å; E35-T347 WeakPolarHBondContact OE2-CB 3.48Å; E35-T347 PolarHBondContact OE2-N 2.91Å |
| 36 | S | 96.6 | Very high | 97.7 | Very high | 3 Ų | 3 | 22.3 Ų | 22.3 | 2% | 0.021 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -61 | -26 | 170.9 | 67.3 | 0 | 0 | 0 | 0 | 112.3 | A32 Y33 G38 F353 | A32-S36 PolarHBondContact O-N 2.84Å; Y33-S36 PolarHBondContact O-N 3.44Å; Y33-S36 PolarHBondContact O-OG 3.12Å; S36-G38 VanDerWaalsContact C-N 3.33Å; S36-F353 WeakPolarHBondContact OG-CB 3.45Å |
| 37 | Q | 96.9 | Very high | 97.8 | Very high | 70 Ų | 70 | 18.2 Ų | 18.2 | 33% | 0.327 | 8% | 0.083 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -1.7 | 173.7 | -50.1 | -41.7 | 99.4 | 0 | 0 | 114 | M15 F17 Y33 I34 E35 | M15-Q37 HydrophobicContact CE-CB 3.97Å; F17-Q37 HydrophobicContact CE1-CB 4.09Å; F17-Q37 HydrophobicContact CE1-CG 4.13Å; F17-Q37 HydrophobicContact CZ-CB 4.18Å; Y33-Q37 HydrophobicContact CE1-CG 4.25Å; Y33-Q37 HydrophobicContact CE2-CG 4.11Å; Y33-Q37 WeakPolarHBondContact O-CG 3.47Å; Y33-Q37 PolarHBondContact O-N 2.75Å; Y33-Q37 VanDerWaalsContact O-N 3.14Å; I34-Q37 PolarHBondContact O-N 2.72Å; E35-Q37 PolarHBondContact O-N 2.9Å |
| 38 | G | 96.9 | Very high | 97.9 | Very high | 2 Ų | 2 | 19.1 Ų | 19.1 | 2% | 0.021 | 9% | 0.089 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85.1 | 17.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | N9 I34 E35 S36 H40 R41 | N9-G38 VanDerWaalsContact CB-O 3.26Å; N9-G38 WeakPolarHBondContact CB-O 3.46Å; N9-G38 PolarHBondContact ND2-O 2.74Å; I34-G38 PolarHBondContact O-N 2.99Å; E35-G38 PolarHBondContact O-N 2.78Å; S36-G38 VanDerWaalsContact C-N 3.33Å; G38-H40 VanDerWaalsContact C-N 3.32Å; G38-H40 PolarHBondContact O-N 3.06Å; G38-R41 WeakPolarHBondContact O-CB 3.12Å; G38-R41 PolarHBondContact O-N 3.23Å |
| 39 | A | 98.1 | Very high | 98 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 8% | 0.078 | C | C | . | . | G | 310 helix | trans | -63.2 | -36.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | M15 F17 I34 R41 A42 A45 F271 | M15-A39 HydrophobicContact CB-CB 4.36Å; M15-A39 HydrophobicContact SD-CB 4.09Å; F17-A39 HydrophobicContact CE2-CB 3.74Å; F17-A39 HydrophobicContact CZ-CB 3.91Å; I34-A39 HydrophobicContact CB-CB 4.07Å; I34-A39 HydrophobicContact CG1-CB 4.42Å; I34-A39 WeakPolarHBondContact O-CB 3.39Å; I34-A39 PolarHBondContact O-N 3.06Å; A39-R41 PolarHBondContact O-N 2.92Å; A39-R41 VanDerWaalsContact O-N 3.15Å; A39-A42 PolarHBondContact O-N 2.72Å; A39-A42 VanDerWaalsContact O-N 3.14Å; A39-A45 HydrophobicContact CB-CB 4.07Å; A39-F271 HydrophobicContact CB-CE2 4.46Å; A39-F271 HydrophobicContact CB-CZ 4Å |
| 40 | H | 98.3 | Very high | 98.1 | Very high | 4 Ų | 4 | 12.1 Ų | 12.1 | 2% | 0.019 | 6% | 0.059 | C | C | . | . | G | 310 helix | trans | -58.3 | -28.1 | -179.6 | 55.7 | -66.2 | 0 | 0 | 0 | 113.9 | E35 G38 A42 G43 F271 T344 L345 | E35-H40 HydrophobicContact CG-CB 4Å; E35-H40 PolarHBondContact O-CE1 3.21Å; E35-H40 PolarHBondContact O-ND1 2.95Å; G38-H40 VanDerWaalsContact C-N 3.32Å; G38-H40 PolarHBondContact O-N 3.06Å; H40-A42 PolarHBondContact O-N 3.16Å; H40-G43 PolarHBondContact O-N 2.9Å; H40-F271 HydrophobicContact CB-CB 4.36Å; H40-F271 HydrophobicContact CB-CD1 3.41Å; H40-F271 VanDerWaalsContact CB-CD1 3.41Å; H40-F271 HydrophobicContact CB-CE1 3.75Å; H40-F271 HydrophobicContact CB-CG 3.91Å; H40-F271 HydrophobicContact CB-CZ 4.49Å; H40-T344 PolarHBondContact NE2-O 3.28Å; H40-L345 PolarHBondContact NE2-O 3Å |
| 41 | R | 97.6 | Very high | 97.9 | Very high | 19 Ų | 19 | 21.3 Ų | 21.3 | 7% | 0.072 | 10% | 0.099 | C | C | . | . | G | 310 helix | trans | -60.4 | -30.4 | 178.8 | -61.3 | -169.3 | 66.7 | 175.5 | 2.1 | 112.8 | E6 L8 A12 G38 A39 G43 P212 P213 E214 | E6-R41 PolarHBondContact O-NH1 2.83Å; L8-R41 WeakPolarHBondContact O-CD 3.17Å; L8-R41 PolarHBondContact O-NH1 2.91Å; A12-R41 HydrophobicContact CB-CB 4.24Å; G38-R41 WeakPolarHBondContact O-CB 3.12Å; G38-R41 PolarHBondContact O-N 3.23Å; A39-R41 PolarHBondContact O-N 2.92Å; A39-R41 VanDerWaalsContact O-N 3.15Å; R41-G43 VanDerWaalsContact C-N 3.32Å; R41-P212 WeakPolarHBondContact O-CA 3.33Å; R41-P212 VanDerWaalsContact O-CB 3.25Å; R41-P212 WeakPolarHBondContact O-CB 3.32Å; R41-P213 WeakPolarHBondContact O-CD 3.34Å; R41-E214 IonicContact CZ-OE2 2.66Å; R41-E214 IonicContact NE-OE2 3.67Å; R41-E214 IonicContact NH2-OE2 2.65Å; R41-E214 PolarHBondContact NH2-OE2 2.65Å; R41-E214 VanDerWaalsContact NH2-OE2 3.11Å |
| 42 | A | 97.9 | Very high | 97.8 | Very high | 2 Ų | 2 | 27.8 Ų | 27.8 | 2% | 0.017 | 13% | 0.129 | C | C | . | . | G | 310 helix | trans | -75 | -20.1 | 178 | 0 | 0 | 0 | 0 | 0 | 113.7 | A12 R13 I14 A39 H40 L44 S210 | A12-A42 WeakPolarHBondContact O-CA 3.42Å; R13-A42 VanDerWaalsContact C-CB 3.45Å; R13-A42 VanDerWaalsContact O-CB 3.32Å; R13-A42 WeakPolarHBondContact O-CB 3.44Å; I14-A42 HydrophobicContact CG1-CB 4.3Å; A39-A42 PolarHBondContact O-N 2.72Å; A39-A42 VanDerWaalsContact O-N 3.14Å; H40-A42 PolarHBondContact O-N 3.16Å; A42-L44 PolarHBondContact O-N 3.34Å; A42-S210 PolarHBondContact O-OG 2.8Å |
| 43 | G | 98 | Very high | 97.8 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 13% | 0.132 | C | C | . | . | S | Bend | trans | 82.2 | -14 | -170.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | H40 R41 F271 | H40-G43 PolarHBondContact O-N 2.9Å; R41-G43 VanDerWaalsContact C-N 3.32Å; G43-F271 PolarHBondContact O-N 3.41Å |
| 44 | L | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 140.4 | -177.2 | -175.4 | 70.8 | 0 | 0 | 0 | 110.9 | I14 A42 W208 V260 M268 I269 T270 | I14-L44 HydrophobicContact CD1-CD2 4.07Å; I14-L44 HydrophobicContact CG1-CB 4.37Å; A42-L44 PolarHBondContact O-N 3.34Å; L44-W208 HydrophobicContact CD1-CE3 4.06Å; L44-W208 HydrophobicContact CD1-CZ3 4.41Å; L44-W208 HydrophobicContact CD2-CB 3.6Å; L44-W208 HydrophobicContact CD2-CD2 4.37Å; L44-W208 HydrophobicContact CD2-CE3 4.29Å; L44-W208 HydrophobicContact CD2-CG 4.14Å; L44-V260 HydrophobicContact CD2-CG1 3.83Å; L44-M268 HydrophobicContact CD1-CB 4.38Å; L44-M268 HydrophobicContact CD1-CE 3.76Å; L44-M268 HydrophobicContact CD2-CE 3.77Å; L44-M268 HydrophobicContact CG-CE 3.56Å; L44-I269 CarbonylContact C-O 3.45Å; L44-I269 WeakPolarHBondContact CA-O 3.38Å; L44-T270 HydrophobicContact CD1-CG2 3.77Å |
| 45 | A | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 154.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | F17 A39 M268 I269 F271 | F17-A45 HydrophobicContact CE2-CB 4.35Å; A39-A45 HydrophobicContact CB-CB 4.07Å; A45-M268 WeakPolarHBondContact O-CA 3.48Å; A45-M268 WeakPolarHBondContact O-CE 3.36Å; A45-I269 PolarHBondContact N-O 3.45Å; A45-I269 PolarHBondContact O-N 2.88Å; A45-F271 HydrophobicContact CB-CE2 3.69Å; A45-F271 HydrophobicContact CB-CZ 4.12Å |
| 46 | K | 98.8 | Very high | 97.6 | Very high | 20 Ų | 20 | 34.2 Ų | 34.2 | 9% | 0.087 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 139.9 | 173 | 178.9 | -173.8 | -78.4 | -157.5 | 0 | 110.1 | M15 T16 F17 V48 T261 E266 F267 M268 | M15-K46 PolarHBondContact O-N 3.37Å; T16-K46 WeakPolarHBondContact CA-O 3.3Å; T16-K46 HydrophobicContact CG2-CB 4.13Å; T16-K46 HydrophobicContact CG2-CD 3.64Å; T16-K46 HydrophobicContact CG2-CG 3.98Å; F17-K46 PolarHBondContact N-O 3.04Å; K46-V48 HydrophobicContact CD-CG2 3.96Å; K46-V48 HydrophobicContact CG-CG2 4.21Å; K46-T261 VanDerWaalsContact CE-O 3.28Å; K46-T261 WeakPolarHBondContact CE-O 3.35Å; K46-T261 PolarHBondContact NZ-O 3.23Å; K46-E266 WeakPolarHBondContact CD-OE1 3.25Å; K46-E266 WeakPolarHBondContact CE-OE2 3.09Å; K46-E266 IonicContact NZ-OE1 3.38Å; K46-E266 PolarHBondContact NZ-OE1 3.42Å; K46-E266 IonicContact NZ-OE2 2.91Å; K46-E266 PolarHBondContact NZ-OE2 2.67Å; K46-F267 WeakPolarHBondContact CA-O 3.47Å; K46-M268 HydrophobicContact CB-CE 4.14Å; K46-M268 HydrophobicContact CB-SD 3.65Å; K46-M268 HydrophobicContact CG-SD 3.91Å |
| 47 | V | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 120.1 | 168.4 | -173.1 | 0 | 0 | 0 | 0 | 108.8 | F17 P19 Y30 W148 F267 I269 | F17-V47 HydrophobicContact CB-CG1 4.5Å; F17-V47 HydrophobicContact CB-CG2 4.35Å; P19-V47 HydrophobicContact CG-CG1 3.73Å; Y30-V47 HydrophobicContact CE1-CG1 4.12Å; V47-W148 HydrophobicContact CB-CH2 4.09Å; V47-W148 HydrophobicContact CB-CZ3 4.19Å; V47-W148 HydrophobicContact CG1-CH2 3.87Å; V47-W148 HydrophobicContact CG1-CZ2 4.4Å; V47-W148 HydrophobicContact CG1-CZ3 4.27Å; V47-W148 HydrophobicContact CG2-CH2 3.98Å; V47-W148 HydrophobicContact CG2-CZ3 4.34Å; V47-F267 HydrophobicContact CB-CB 4.25Å; V47-F267 PolarHBondContact N-O 3.21Å; V47-F267 WeakPolarHBondContact O-CB 3.4Å; V47-F267 PolarHBondContact O-N 3.37Å; V47-I269 HydrophobicContact CG2-CG1 4.44Å |
| 48 | V | 98.7 | Very high | 97.4 | Very high | 29 Ų | 29 | 37.2 Ų | 37.2 | 18% | 0.176 | 19% | 0.19 | C | C | . | . | trans | -96.8 | 115.8 | 176.4 | -174.8 | 0 | 0 | 0 | 0 | 107.4 | T16 F17 Y18 P19 K46 E266 | T16-V48 HydrophobicContact CG2-CG2 4.08Å; F17-V48 PolarHBondContact O-N 2.93Å; Y18-V48 HydrophobicContact CD1-CB 3.64Å; Y18-V48 HydrophobicContact CD1-CG1 4.05Å; Y18-V48 HydrophobicContact CD1-CG2 4.1Å; Y18-V48 HydrophobicContact CE1-CB 3.63Å; Y18-V48 HydrophobicContact CE1-CG1 3.93Å; Y18-V48 HydrophobicContact CE1-CG2 3.61Å; P19-V48 WeakPolarHBondContact CD-O 3.45Å; K46-V48 HydrophobicContact CD-CG2 3.96Å; K46-V48 HydrophobicContact CG-CG2 4.21Å; V48-E266 HydrophobicContact CG2-CG 4.17Å | ||
| 49 | P | 98.4 | Very high | 97.4 | Very high | 16 Ų | 16 | 39.4 Ų | 39.4 | 10% | 0.104 | 20% | 0.198 | C | C | . | . | trans | -69.5 | 165.7 | -174.8 | 29.8 | -35.1 | 0 | 0 | 0 | 112.3 | F24 W53 G265 F267 | F24-P49 HydrophobicContact CD2-CB 4.46Å; F24-P49 HydrophobicContact CE1-CB 4.43Å; F24-P49 HydrophobicContact CE2-CB 3.76Å; F24-P49 HydrophobicContact CZ-CB 3.75Å; P49-W53 HydrophobicContact CB-CD2 4.43Å; P49-W53 HydrophobicContact CB-CE3 3.67Å; P49-W53 HydrophobicContact CB-CZ3 4.19Å; P49-W53 HydrophobicContact CG-CE3 3.87Å; P49-W53 HydrophobicContact CG-CZ3 4.1Å; P49-G265 WeakPolarHBondContact CD-O 3.29Å; P49-G265 WeakPolarHBondContact CG-O 3.48Å; P49-F267 HydrophobicContact CB-CD2 4.49Å; P49-F267 HydrophobicContact CB-CE2 4.18Å; P49-F267 HydrophobicContact CG-CD2 4.35Å; P49-F267 HydrophobicContact CG-CE2 4.2Å | ||
| 50 | P | 98.3 | Very high | 97.2 | Very high | 10 Ų | 10 | 45.8 Ų | 45.8 | 7% | 0.065 | 23% | 0.232 | C | C | . | . | trans | -52.5 | 140.4 | 169.7 | -21.3 | 30.6 | 0 | 0 | 0 | 111.3 | M21 F24 E52 W53 | M21-P50 HydrophobicContact CB-CB 4.21Å; M21-P50 HydrophobicContact CB-CG 4.02Å; M21-P50 HydrophobicContact SD-CB 4.39Å; M21-P50 HydrophobicContact SD-CG 4Å; F24-P50 HydrophobicContact CB-CG 3.94Å; F24-P50 HydrophobicContact CD1-CG 4.34Å; F24-P50 HydrophobicContact CG-CG 4.08Å; P50-E52 VanDerWaalsContact CB-CD 3.45Å; P50-E52 HydrophobicContact CB-CG 4.04Å; P50-E52 VanDerWaalsContact CB-OE2 3.28Å; P50-E52 WeakPolarHBondContact CB-OE2 3.48Å; P50-E52 PolarHBondContact O-N 2.8Å; P50-W53 HydrophobicContact CB-CB 4.37Å; P50-W53 PolarHBondContact O-N 2.71Å | ||
| 51 | K | 95.4 | Very high | 97 | Very high | 202 Ų | 202 | 50.5 Ų | 50.5 | 88% | 0.878 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -22.9 | -174 | -64.9 | 179.9 | -179.5 | 177.1 | 0 | 113.2 | ||
| 52 | E | 94.6 | Very high | 97 | Very high | 137 Ų | 137 | 50 Ų | 50 | 64% | 0.64 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -20.9 | 174.6 | 61.2 | -91.7 | -135.8 | 0 | 0 | 113.4 | P50 | P50-E52 VanDerWaalsContact CB-CD 3.45Å; P50-E52 HydrophobicContact CB-CG 4.04Å; P50-E52 VanDerWaalsContact CB-OE2 3.28Å; P50-E52 WeakPolarHBondContact CB-OE2 3.48Å; P50-E52 PolarHBondContact O-N 2.8Å |
| 53 | W | 97.9 | Very high | 96.9 | Very high | 19 Ų | 19 | 50.9 Ų | 50.9 | 7% | 0.072 | 26% | 0.261 | C | S | . | . | trans | -84.7 | 137.7 | -179.2 | 179.4 | 87.1 | 0 | 0 | 0 | 111.6 | M21 F24 P49 P50 P55 Y141 V145 Y199 F267 | M21-W53 HydrophobicContact SD-CB 4.24Å; F24-W53 HydrophobicContact CD1-CG 4.32Å; F24-W53 HydrophobicContact CE1-CB 4.49Å; F24-W53 AromaticContact CE1-CD1 3.76Å; F24-W53 AromaticContact CE1-CD2 3.63Å; F24-W53 HydrophobicContact CE1-CD2 3.63Å; F24-W53 AromaticContact CE1-CE2 3.65Å; F24-W53 HydrophobicContact CE1-CE3 4.24Å; F24-W53 AromaticContact CE1-CG 3.72Å; F24-W53 HydrophobicContact CE1-CG 3.72Å; F24-W53 HydrophobicContact CE1-CZ2 4.25Å; F24-W53 AromaticContact CE1-NE1 3.71Å; F24-W53 HydrophobicContact CZ-CD2 4.02Å; F24-W53 HydrophobicContact CZ-CE3 4.18Å; F24-W53 HydrophobicContact CZ-CG 4.5Å; F24-W53 HydrophobicContact CZ-CZ2 4.36Å; F24-W53 HydrophobicContact CZ-CZ3 4.41Å; P49-W53 HydrophobicContact CB-CD2 4.43Å; P49-W53 HydrophobicContact CB-CE3 3.67Å; P49-W53 HydrophobicContact CB-CZ3 4.19Å; P49-W53 HydrophobicContact CG-CE3 3.87Å; P49-W53 HydrophobicContact CG-CZ3 4.1Å; P50-W53 HydrophobicContact CB-CB 4.37Å; P50-W53 PolarHBondContact O-N 2.71Å; W53-P55 HydrophobicContact CH2-CB 3.69Å; W53-P55 HydrophobicContact CH2-CG 3.83Å; W53-P55 HydrophobicContact CZ2-CB 3.89Å; W53-P55 HydrophobicContact CZ2-CG 4.46Å; W53-P55 HydrophobicContact CZ3-CB 4.48Å; W53-P55 HydrophobicContact CZ3-CG 4.19Å; W53-Y141 AromaticContact CH2-CE1 3.95Å; W53-Y141 HydrophobicContact CH2-CE1 3.95Å; W53-Y141 AromaticContact CZ2-CE1 3.86Å; W53-Y141 HydrophobicContact CZ2-CE1 3.86Å; W53-V145 HydrophobicContact CZ2-CG1 4.11Å; W53-Y199 HydrophobicContact CH2-CE2 4.25Å; W53-Y199 AromaticContact CZ3-CE2 3.75Å; W53-Y199 HydrophobicContact CZ3-CE2 3.75Å; W53-Y199 AromaticContact CZ3-CZ 3.88Å; W53-F267 AromaticContact CH2-CE2 3.83Å; W53-F267 HydrophobicContact CH2-CE2 3.83Å; W53-F267 AromaticContact CH2-CZ 3.52Å; W53-F267 HydrophobicContact CH2-CZ 3.52Å; W53-F267 HydrophobicContact CZ2-CZ 4.34Å; W53-F267 AromaticContact CZ3-CE2 3.7Å; W53-F267 HydrophobicContact CZ3-CE2 3.7Å; W53-F267 AromaticContact CZ3-CZ 3.89Å; W53-F267 HydrophobicContact CZ3-CZ 3.89Å | ||
| 54 | K | 96.2 | Very high | 96.8 | Very high | 140 Ų | 140 | 55.6 Ų | 55.6 | 61% | 0.609 | 29% | 0.286 | S | S | * | . | trans | -143.9 | 141.5 | 171.2 | -65.6 | -174.8 | 178.3 | -177.5 | 0 | 109.7 | R56 | K54-R56 VanDerWaalsContact C-N 3.34Š| ||
| 55 | P | 96.8 | Very high | 96.8 | Very high | 2 Ų | 2 | 57.9 Ų | 57.9 | 1% | 0.013 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -81.8 | -14.7 | 175.9 | 32.4 | -32.9 | 0 | 0 | 0 | 113.3 | W53 Y141 E142 Y199 | W53-P55 HydrophobicContact CH2-CB 3.69Å; W53-P55 HydrophobicContact CH2-CG 3.83Å; W53-P55 HydrophobicContact CZ2-CB 3.89Å; W53-P55 HydrophobicContact CZ2-CG 4.46Å; W53-P55 HydrophobicContact CZ3-CB 4.48Å; W53-P55 HydrophobicContact CZ3-CG 4.19Å; P55-Y141 HydrophobicContact CB-CD1 3.45Å; P55-Y141 VanDerWaalsContact CB-CD1 3.45Å; P55-Y141 HydrophobicContact CB-CD2 4.19Å; P55-Y141 HydrophobicContact CB-CE1 3.44Å; P55-Y141 VanDerWaalsContact CB-CE1 3.44Å; P55-Y141 HydrophobicContact CB-CE2 4.15Å; P55-Y141 HydrophobicContact CB-CG 3.84Å; P55-Y141 WeakPolarHBondContact O-CA 3.29Å; P55-E142 PolarHBondContact O-N 2.95Å; P55-Y199 WeakPolarHBondContact CD-OH 3.35Å; P55-Y199 HydrophobicContact CG-CD1 4.41Å; P55-Y199 HydrophobicContact CG-CE1 3.56Å |
| 56 | R | 97.2 | Very high | 96.7 | Very high | 43 Ų | 43 | 62 Ų | 62 | 16% | 0.162 | 32% | 0.322 | C | S | . | . | trans | -156.9 | 145.7 | -175.9 | -161.8 | -173.9 | -175.1 | 87.6 | -1.9 | 110.2 | K54 S58 Y59 D61 L140 E142 | K54-R56 VanDerWaalsContact C-N 3.34Å; R56-S58 WeakPolarHBondContact CD-O 3.33Å; R56-S58 WeakPolarHBondContact CG-O 3.45Å; R56-S58 PolarHBondContact NE-O 3.2Å; R56-Y59 HydrophobicContact CB-CE1 4.06Å; R56-Y59 VanDerWaalsContact CD-CD1 3.48Å; R56-Y59 VanDerWaalsContact CD-CE1 3.48Å; R56-Y59 HydrophobicContact CG-CE1 4.39Å; R56-D61 IonicContact CZ-OD1 3.82Å; R56-D61 IonicContact CZ-OD2 3.11Å; R56-D61 IonicContact NE-OD1 3.31Å; R56-D61 IonicContact NH2-OD1 2.65Å; R56-D61 PolarHBondContact NH2-OD1 2.94Å; R56-D61 IonicContact NH2-OD2 2.6Å; R56-D61 PolarHBondContact NH2-OD2 3.4Å; R56-L140 WeakPolarHBondContact CD-O 3.33Å; R56-L140 PolarHBondContact NH1-O 2.79Å; R56-E142 WeakPolarHBondContact CA-OE1 3.19Å; R56-E142 HydrophobicContact CG-CG 4.13Å | ||
| 57 | A | 94.1 | Very high | 96.7 | Very high | 80 Ų | 80 | 61 Ų | 61 | 66% | 0.661 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -71.1 | -47.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | E142 | A57-E142 PolarHBondContact N-OE1 3.15Š|
| 58 | S | 95.9 | Very high | 96.5 | Very high | 57 Ų | 57 | 64.6 Ų | 64.6 | 40% | 0.399 | 34% | 0.341 | S | S | . | . | trans | -149.3 | 164.7 | 178 | 70.2 | 0 | 0 | 0 | 0 | 112 | R56 D60 | R56-S58 WeakPolarHBondContact CD-O 3.33Å; R56-S58 WeakPolarHBondContact CG-O 3.45Å; R56-S58 PolarHBondContact NE-O 3.2Å; S58-D60 WeakPolarHBondContact CB-OD2 3.25Å; S58-D60 PolarHBondContact OG-OD2 2.82Å | ||
| 59 | Y | 97.2 | Very high | 96.4 | Very high | 48 Ų | 48 | 65.1 Ų | 65.1 | 19% | 0.188 | 35% | 0.349 | C | S | . | . | trans | -118.6 | 14.1 | -176.5 | -64.5 | -75 | 0 | 0 | 0 | 113 | R56 D61 I62 L140 H201 F202 | R56-Y59 HydrophobicContact CB-CE1 4.06Å; R56-Y59 VanDerWaalsContact CD-CD1 3.48Å; R56-Y59 VanDerWaalsContact CD-CE1 3.48Å; R56-Y59 HydrophobicContact CG-CE1 4.39Å; Y59-D61 VanDerWaalsContact C-N 3.27Å; Y59-D61 PolarHBondContact O-N 3.38Å; Y59-I62 VanDerWaalsContact O-CG1 3.31Å; Y59-I62 WeakPolarHBondContact O-CG1 3.37Å; Y59-L140 HydrophobicContact CD1-CD1 4.3Å; Y59-L140 HydrophobicContact CE1-CB 4.39Å; Y59-L140 HydrophobicContact CE1-CD1 4.26Å; Y59-H201 HydrophobicContact CE1-CB 3.82Å; Y59-H201 AromaticContact CE1-CG 3.96Å; Y59-H201 AromaticContact CE1-ND1 3.51Å; Y59-H201 WeakPolarHBondContact CE2-O 3.48Å; Y59-H201 AromaticContact CZ-ND1 3.59Å; Y59-H201 PolarHBondContact OH-ND1 3.25Å; Y59-H201 PolarHBondContact OH-O 3.36Å; Y59-F202 AromaticContact CD1-CD1 3.64Å; Y59-F202 HydrophobicContact CD1-CD1 3.64Å; Y59-F202 AromaticContact CD1-CE1 3.83Å; Y59-F202 HydrophobicContact CD1-CE1 3.83Å; Y59-F202 HydrophobicContact CD2-CB 4.23Å; Y59-F202 AromaticContact CD2-CD1 3.74Å; Y59-F202 HydrophobicContact CD2-CD1 3.74Å; Y59-F202 HydrophobicContact CD2-CG 4.35Å; Y59-F202 HydrophobicContact CE1-CD1 4.03Å; Y59-F202 HydrophobicContact CE1-CE1 4.42Å; Y59-F202 HydrophobicContact CE2-CB 4.38Å; Y59-F202 HydrophobicContact CE2-CD1 4.1Å; Y59-F202 AromaticContact CG-CD1 3.5Å; Y59-F202 HydrophobicContact CG-CD1 3.5Å; Y59-F202 VanDerWaalsContact CG-CD1 3.5Å; Y59-F202 AromaticContact CG-CE1 3.96Å; Y59-F202 HydrophobicContact CG-CE1 3.96Å; Y59-F202 HydrophobicContact CG-CG 4.42Å | ||
| 60 | D | 94.4 | Very high | 96.3 | Very high | 134 Ų | 134 | 64.3 Ų | 64.3 | 72% | 0.717 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | -17 | -173 | -49.4 | -67.2 | 0 | 0 | 0 | 113.2 | S58 | S58-D60 WeakPolarHBondContact CB-OD2 3.25Å; S58-D60 PolarHBondContact OG-OD2 2.82Å |
| 61 | D | 94.4 | Very high | 96.2 | Very high | 102 Ų | 102 | 65.1 Ų | 65.1 | 55% | 0.545 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -9.1 | -176 | 70.3 | -39 | 0 | 0 | 0 | 114.2 | R56 Y59 D63 | R56-D61 IonicContact CZ-OD1 3.82Å; R56-D61 IonicContact CZ-OD2 3.11Å; R56-D61 IonicContact NE-OD1 3.31Å; R56-D61 IonicContact NH2-OD1 2.65Å; R56-D61 PolarHBondContact NH2-OD1 2.94Å; R56-D61 IonicContact NH2-OD2 2.6Å; R56-D61 PolarHBondContact NH2-OD2 3.4Å; Y59-D61 VanDerWaalsContact C-N 3.27Å; Y59-D61 PolarHBondContact O-N 3.38Å; D61-D63 PolarHBondContact O-N 3.05Å |
| 62 | I | 96.3 | Very high | 96.3 | Very high | 10 Ų | 10 | 57 Ų | 57 | 5% | 0.051 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -79.5 | -4.9 | -177.7 | 77.6 | -171.9 | 0 | 0 | 0 | 113.4 | Y59 D64 L65 V94 L140 F202 | Y59-I62 VanDerWaalsContact O-CG1 3.31Å; Y59-I62 WeakPolarHBondContact O-CG1 3.37Å; I62-D64 PolarHBondContact O-N 3.31Å; I62-L65 WeakPolarHBondContact O-CB 3.48Å; I62-L65 PolarHBondContact O-N 3.47Å; I62-V94 HydrophobicContact CG1-CG1 4.27Å; I62-L140 HydrophobicContact CG2-CD2 3.79Å; I62-F202 HydrophobicContact CD1-CD1 4.47Å; I62-F202 HydrophobicContact CD1-CE1 3.3Å; I62-F202 HydrophobicContact CD1-CE2 4.42Å; I62-F202 HydrophobicContact CD1-CZ 3.26Å |
| 63 | D | 96.1 | Very high | 96.4 | Very high | 20 Ų | 20 | 50.7 Ų | 50.7 | 11% | 0.107 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -56.8 | -37.2 | -171 | -114.3 | 42.1 | 0 | 0 | 0 | 113.3 | D61 V94 R95 R98 | D61-D63 PolarHBondContact O-N 3.05Å; D63-V94 PolarHBondContact O-N 3.41Å; D63-R95 HydrophobicContact CB-CB 4.2Å; D63-R95 WeakPolarHBondContact O-CB 3.39Å; D63-R95 PolarHBondContact O-N 2.98Å; D63-R95 WeakPolarHBondContact OD2-CB 3.36Å; D63-R95 VanDerWaalsContact OD2-CG 3.3Å; D63-R95 WeakPolarHBondContact OD2-CG 3.24Å; D63-R95 IonicContact OD2-CZ 3.06Å; D63-R95 IonicContact OD2-NE 2.64Å; D63-R95 PolarHBondContact OD2-NE 2.84Å; D63-R95 IonicContact OD2-NH2 2.75Å; D63-R98 IonicContact OD1-CZ 3.67Å; D63-R98 IonicContact OD1-NH1 2.75Å; D63-R98 PolarHBondContact OD1-NH1 3.23Å; D63-R98 IonicContact OD1-NH2 2.61Å; D63-R98 PolarHBondContact OD1-NH2 3.26Å; D63-R98 IonicContact OD2-CZ 3.11Å; D63-R98 IonicContact OD2-NH2 2.69Å; D63-R98 PolarHBondContact OD2-NH2 2.85Å |
| 64 | D | 96.3 | Very high | 96.2 | Very high | 98 Ų | 98 | 53 Ų | 53 | 52% | 0.524 | 30% | 0.296 | S | S | . | . | G | 310 helix | trans | -90.1 | 2.8 | -179.9 | -66.7 | -71.7 | 0 | 0 | 0 | 113.3 | I62 V66 R95 | I62-D64 PolarHBondContact O-N 3.31Å; D64-V66 PolarHBondContact O-N 3.09Å; D64-R95 IonicContact OD1-CZ 3.72Å; D64-R95 IonicContact OD1-NH1 3.58Å; D64-R95 PolarHBondContact OD1-NH1 3.4Å; D64-R95 IonicContact OD1-NH2 3.68Å; D64-R95 PolarHBondContact OD1-NH2 3.36Å; D64-R95 IonicContact OD2-CZ 3.16Å; D64-R95 IonicContact OD2-NH1 2.71Å; D64-R95 IonicContact OD2-NH2 2.73Å; D64-R95 PolarHBondContact OD2-NH2 2.92Å |
| 65 | L | 97.3 | Very high | 96 | Very high | 49 Ų | 49 | 46.7 Ų | 46.7 | 26% | 0.257 | 27% | 0.269 | S | S | . | . | trans | -62.1 | 131.6 | 172.6 | -174.1 | 153.3 | 0 | 0 | 0 | 109.6 | I62 T93 V94 V136 L140 L176 F178 | I62-L65 WeakPolarHBondContact O-CB 3.48Å; I62-L65 PolarHBondContact O-N 3.47Å; L65-T93 CarbonylContact O-C 3.25Å; L65-T93 WeakPolarHBondContact O-CA 3.36Å; L65-V94 HydrophobicContact CB-CG2 3.95Å; L65-V94 HydrophobicContact CD2-CG2 3.87Å; L65-V94 HydrophobicContact CG-CG2 4.49Å; L65-V94 PolarHBondContact O-N 2.9Å; L65-V136 HydrophobicContact CD2-CG1 4.42Å; L65-L140 HydrophobicContact CD1-CD2 4.33Å; L65-L176 HydrophobicContact CD1-CD1 4.1Å; L65-F178 HydrophobicContact CD2-CE2 3.86Å; L65-F178 HydrophobicContact CD2-CZ 3.94Å | ||
| 66 | V | 97.6 | Very high | 95.5 | Very high | 85 Ų | 85 | 49.7 Ų | 49.7 | 52% | 0.515 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 125.5 | -177.1 | 179.6 | 0 | 0 | 0 | 0 | 110.5 | D64 P68 A91 | D64-V66 PolarHBondContact O-N 3.09Å; V66-P68 WeakPolarHBondContact O-CD 3.26Å; V66-A91 HydrophobicContact CG1-CB 4.23Å |
| 67 | I | 97.9 | Very high | 95 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 106.6 | 164.9 | -54.7 | 173.3 | 0 | 0 | 0 | 106.2 | P70 A91 M92 V94 F97 V136 F178 | I67-P70 HydrophobicContact CG2-CB 3.92Å; I67-P70 HydrophobicContact CG2-CG 4.32Å; I67-P70 WeakPolarHBondContact O-CD 3.38Å; I67-A91 VanDerWaalsContact O-CA 3.23Å; I67-A91 WeakPolarHBondContact O-CA 3.37Å; I67-M92 WeakPolarHBondContact CB-O 3.33Å; I67-M92 PolarHBondContact N-O 2.85Å; I67-M92 PolarHBondContact O-N 2.88Å; I67-M92 VanDerWaalsContact O-N 3.11Å; I67-V94 HydrophobicContact CD1-CG2 4.32Å; I67-V94 HydrophobicContact CG1-CG2 4.27Å; I67-F97 HydrophobicContact CD1-CB 3.74Å; I67-F97 HydrophobicContact CD1-CD1 4.43Å; I67-F97 HydrophobicContact CD1-CD2 3.85Å; I67-F97 HydrophobicContact CD1-CG 3.75Å; I67-V136 HydrophobicContact CG2-CG2 3.97Å; I67-F178 HydrophobicContact CD1-CB 3.95Å; I67-F178 HydrophobicContact CD1-CD2 3.82Å; I67-F178 HydrophobicContact CD1-CG 3.92Å; I67-F178 HydrophobicContact CG1-CD2 3.9Å; I67-F178 HydrophobicContact CG1-CE2 4.3Å; I67-F178 HydrophobicContact CG1-CG 4.49Å |
| 68 | P | 96.5 | Very high | 94.6 | Very high | 75 Ų | 75 | 51.6 Ų | 51.6 | 49% | 0.487 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -77.7 | -32.3 | -168.9 | 29.2 | -35.4 | 0 | 0 | 0 | 113.7 | V66 A91 | V66-P68 WeakPolarHBondContact O-CD 3.26Å; P68-A91 WeakPolarHBondContact O-CB 3.19Å |
| 69 | A | 95.1 | Very high | 94.3 | Very high | 40 Ų | 40 | 53.9 Ų | 53.9 | 33% | 0.331 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -134.1 | 55 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | I71 Q88 | A69-I71 PolarHBondContact O-N 3.1Å; A69-Q88 HydrophobicContact CB-CG 4.33Å |
| 70 | P | 97.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 31% | 0.308 | C | S | . | . | trans | -60.4 | 133.7 | 179.2 | 25.3 | -31.9 | 0 | 0 | 0 | 111.1 | I67 K89 K90 M92 I131 | I67-P70 HydrophobicContact CG2-CB 3.92Å; I67-P70 HydrophobicContact CG2-CG 4.32Å; I67-P70 WeakPolarHBondContact O-CD 3.38Å; P70-K89 HydrophobicContact CG-CB 4.2Å; P70-K89 WeakPolarHBondContact O-CB 3.4Å; P70-K89 PolarHBondContact O-N 3.2Å; P70-K90 WeakPolarHBondContact CG-O 3.13Å; P70-M92 HydrophobicContact CG-CE 4.09Å; P70-M92 HydrophobicContact CG-CG 4.22Å; P70-M92 HydrophobicContact CG-SD 4.48Å; P70-I131 HydrophobicContact CB-CG2 3.95Å | ||
| 71 | I | 96.6 | Very high | 93.7 | Very high | 26 Ų | 26 | 47.2 Ų | 47.2 | 13% | 0.133 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 125.6 | -174.2 | 46.7 | 161.5 | 0 | 0 | 0 | 111.9 | A69 N86 I131 Y132 A134 | A69-I71 PolarHBondContact O-N 3.1Å; I71-N86 HydrophobicContact CB-CB 4.14Å; I71-N86 HydrophobicContact CD1-CB 4.2Å; I71-N86 WeakPolarHBondContact CD1-ND2 3.32Å; I71-N86 HydrophobicContact CG2-CB 4.13Å; I71-I131 CarbonylContact O-C 3.32Å; I71-I131 WeakPolarHBondContact O-CA 3.43Å; I71-Y132 VanDerWaalsContact CG1-O 3.29Å; I71-Y132 WeakPolarHBondContact CG1-O 3.34Å; I71-Y132 PolarHBondContact N-O 2.89Å; I71-Y132 PolarHBondContact O-N 2.76Å; I71-A134 HydrophobicContact CD1-CB 4.22Å; I71-A134 HydrophobicContact CG1-CB 4.47Å |
| 72 | Q | 97.1 | Very high | 93.7 | Very high | 33 Ų | 33 | 42.9 Ų | 42.9 | 15% | 0.154 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 126 | 167.6 | -173.7 | 170.6 | 36.8 | 0 | 0 | 110 | L74 I87 K89 P129 P130 I131 | Q72-L74 PolarHBondContact O-N 2.89Å; Q72-I87 HydrophobicContact CB-CB 4.46Å; Q72-I87 PolarHBondContact N-O 3.05Å; Q72-I87 PolarHBondContact O-N 2.96Å; Q72-K89 HydrophobicContact CB-CD 4.48Å; Q72-K89 HydrophobicContact CB-CG 4.33Å; Q72-P129 HydrophobicContact CG-CB 3.75Å; Q72-P129 PolarHBondContact NE2-O 2.79Å; Q72-P130 CarbonylContact C-O 3.58Å; Q72-P130 VanDerWaalsContact CA-O 3.31Å; Q72-P130 WeakPolarHBondContact CA-O 3.25Å; Q72-I131 HydrophobicContact CB-CG1 4.3Å; Q72-I131 HydrophobicContact CG-CG1 4.38Å |
| 73 | Q | 96.5 | Very high | 93.5 | Very high | 4 Ų | 4 | 43.6 Ų | 43.6 | 2% | 0.019 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 92.8 | -173 | -63.3 | -176.5 | -36.2 | 0 | 0 | 110.4 | Q84 P129 P130 T183 S184 | Q73-Q84 HydrophobicContact CB-CG 4.12Å; Q73-Q84 VanDerWaalsContact CD-NE2 3.34Å; Q73-P129 WeakPolarHBondContact O-CB 3.34Å; Q73-P130 HydrophobicContact CB-CG 4.41Å; Q73-P130 PolarHBondContact N-O 3.03Å; Q73-T183 VanDerWaalsContact OE1-CA 3.29Å; Q73-S184 PolarHBondContact NE2-O 3.19Å |
| 74 | L | 93.2 | Very high | 93.4 | Very high | 66 Ų | 66 | 42.8 Ų | 42.8 | 35% | 0.346 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 119.1 | 174.8 | 178.9 | 64 | 0 | 0 | 0 | 109.3 | Q72 Q84 Y85 I87 P129 | Q72-L74 PolarHBondContact O-N 2.89Å; L74-Q84 CarbonylContact O-C 3.47Å; L74-Q84 WeakPolarHBondContact O-CA 3.44Å; L74-Y85 PolarHBondContact N-O 3.31Å; L74-Y85 PolarHBondContact O-N 3.28Å; L74-I87 HydrophobicContact CB-CD1 4.3Å; L74-I87 HydrophobicContact CD2-CD1 4.21Å; L74-P129 HydrophobicContact CD1-CG 3.75Å |
| 75 | V | 92.8 | Very high | 93.1 | Very high | 8 Ų | 8 | 43.3 Ų | 43.3 | 5% | 0.048 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 129.4 | -178 | -176.2 | 0 | 0 | 0 | 0 | 110.2 | F82 Q84 L125 T126 L244 | V75-F82 HydrophobicContact CG1-CB 3.57Å; V75-F82 HydrophobicContact CG1-CD1 4.41Å; V75-F82 HydrophobicContact CG1-CG 4.17Å; V75-Q84 HydrophobicContact CG2-CB 4.21Å; V75-Q84 HydrophobicContact CG2-CG 4.08Å; V75-L125 HydrophobicContact CB-CG 4.48Å; V75-L125 HydrophobicContact CG1-CD1 3.9Å; V75-L125 HydrophobicContact CG1-CG 3.9Å; V75-T126 WeakPolarHBondContact O-CG2 3.13Å; V75-L244 HydrophobicContact CG1-CD1 4.06Å; V75-L244 HydrophobicContact CG2-CD1 4.21Å |
| 76 | T | 86.6 | Confident | 92.8 | Very high | 65 Ų | 65 | 45 Ų | 45 | 40% | 0.399 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 150.9 | 177 | 66.8 | 0 | 0 | 0 | 0 | 111.1 | F82 T83 | T76-F82 CarbonylContact O-C 3.5Å; T76-F82 WeakPolarHBondContact O-CA 3.43Å; T76-F82 WeakPolarHBondContact O-CB 3.5Å; T76-T83 PolarHBondContact N-O 3.16Å; T76-T83 PolarHBondContact O-N 3.38Å |
| 77 | G | 86.6 | Confident | 92.5 | Very high | 45 Ų | 45 | 44.5 Ų | 44.5 | 46% | 0.464 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 125.9 | -175.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | F82 | G77-F82 WeakPolarHBondContact O-CD1 3.48Å; G77-F82 WeakPolarHBondContact O-CE1 3.49Å |
| 78 | Q | 85.4 | Confident | 92.3 | Very high | 118 Ų | 118 | 50.9 Ų | 50.9 | 55% | 0.551 | 29% | 0.287 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -157 | 171.6 | -174.5 | 55.5 | 169.8 | -21 | 0 | 0 | 113 | G80 L81 | Q78-G80 PolarHBondContact O-N 3.34Å; Q78-L81 PolarHBondContact N-O 3.13Å; Q78-L81 PolarHBondContact O-N 3.24Å; Q78-L81 VanDerWaalsContact O-O 3.13Å |
| 79 | S | 88.5 | Confident | 92.2 | Very high | 105 Ų | 105 | 50.8 Ų | 50.8 | 73% | 0.734 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.8 | 26.8 | 172.6 | -70.1 | 0 | 0 | 0 | 0 | 116.1 | M249 | S79-M249 WeakPolarHBondContact O-CG 3.39Š|
| 80 | G | 86.1 | Confident | 92.2 | Very high | 8 Ų | 8 | 57.8 Ų | 57.8 | 8% | 0.082 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 91 | 10.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q78 F82 I245 S246 | Q78-G80 PolarHBondContact O-N 3.34Å; G80-F82 VanDerWaalsContact CA-CE2 3.44Å; G80-I245 WeakPolarHBondContact O-CA 3.33Å; G80-S246 WeakPolarHBondContact CA-OG 3.38Å; G80-S246 PolarHBondContact O-N 3.44Å |
| 81 | L | 93.8 | Very high | 92.2 | Very high | 34 Ų | 34 | 60.6 Ų | 60.6 | 18% | 0.178 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 120.5 | 174.7 | -63.2 | 172.9 | 0 | 0 | 0 | 109.3 | Q78 F226 F227 I245 M249 | Q78-L81 PolarHBondContact N-O 3.13Å; Q78-L81 PolarHBondContact O-N 3.24Å; Q78-L81 VanDerWaalsContact O-O 3.13Å; L81-F226 HydrophobicContact CD1-CB 4.05Å; L81-F226 HydrophobicContact CD1-CD1 3.47Å; L81-F226 VanDerWaalsContact CD1-CD1 3.47Å; L81-F226 HydrophobicContact CD1-CD2 3.84Å; L81-F226 HydrophobicContact CD1-CE1 3.75Å; L81-F226 HydrophobicContact CD1-CE2 4.07Å; L81-F226 HydrophobicContact CD1-CG 3.53Å; L81-F226 HydrophobicContact CD1-CZ 4.03Å; L81-F226 HydrophobicContact CD2-CB 4.36Å; L81-F226 HydrophobicContact CD2-CD2 3.55Å; L81-F226 HydrophobicContact CD2-CE2 3.89Å; L81-F226 HydrophobicContact CD2-CG 3.99Å; L81-F226 HydrophobicContact CG-CD2 4.36Å; L81-F226 HydrophobicContact CG-CG 4.43Å; L81-F227 HydrophobicContact CB-CZ 4.25Å; L81-F227 HydrophobicContact CD2-CE2 4.32Å; L81-I245 HydrophobicContact CD2-CB 4.49Å; L81-I245 HydrophobicContact CD2-CG1 4.07Å; L81-I245 HydrophobicContact CD2-CG2 4.05Å; L81-M249 HydrophobicContact CD1-CE 3.83Å; L81-M249 HydrophobicContact CD2-CE 4.05Å; L81-M249 HydrophobicContact CG-CE 3.9Å; L81-M249 HydrophobicContact CG-CG 4.47Å |
| 82 | F | 93.9 | Very high | 92.3 | Very high | 12 Ų | 12 | 60.7 Ų | 60.7 | 5% | 0.053 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 153.5 | -174.7 | -42.6 | -90.4 | 0 | 0 | 0 | 112.6 | V75 T76 G77 G80 W122 L125 T126 L244 | V75-F82 HydrophobicContact CG1-CB 3.57Å; V75-F82 HydrophobicContact CG1-CD1 4.41Å; V75-F82 HydrophobicContact CG1-CG 4.17Å; T76-F82 CarbonylContact O-C 3.5Å; T76-F82 WeakPolarHBondContact O-CA 3.43Å; T76-F82 WeakPolarHBondContact O-CB 3.5Å; G77-F82 WeakPolarHBondContact O-CD1 3.48Å; G77-F82 WeakPolarHBondContact O-CE1 3.49Å; G80-F82 VanDerWaalsContact CA-CE2 3.44Å; F82-W122 HydrophobicContact CD2-CZ3 4.27Å; F82-W122 HydrophobicContact CE2-CE3 4.06Å; F82-W122 HydrophobicContact CE2-CZ3 4.19Å; F82-L125 HydrophobicContact CB-CD1 4.47Å; F82-L125 HydrophobicContact CD1-CD1 4.44Å; F82-L125 HydrophobicContact CD1-CD2 3.98Å; F82-L125 HydrophobicContact CD1-CG 4.49Å; F82-L125 HydrophobicContact CD2-CD1 3.69Å; F82-L125 HydrophobicContact CD2-CD2 4.23Å; F82-L125 HydrophobicContact CE1-CD2 3.6Å; F82-L125 HydrophobicContact CE2-CD1 3.94Å; F82-L125 HydrophobicContact CE2-CD2 3.82Å; F82-L125 HydrophobicContact CG-CD1 3.96Å; F82-L125 HydrophobicContact CG-CD2 4.3Å; F82-L125 HydrophobicContact CG-CG 4.49Å; F82-L125 HydrophobicContact CZ-CD1 4.46Å; F82-L125 HydrophobicContact CZ-CD2 3.51Å; F82-T126 HydrophobicContact CD1-CG2 4.13Å; F82-T126 HydrophobicContact CE1-CG2 4.25Å; F82-L244 HydrophobicContact CB-CB 4.13Å; F82-L244 HydrophobicContact CD2-CB 4.45Å; F82-L244 PolarHBondContact N-O 3.03Å; F82-L244 PolarHBondContact O-N 3.18Å |
| 83 | T | 93.3 | Very high | 92.4 | Very high | 24 Ų | 24 | 60.4 Ų | 60.4 | 15% | 0.147 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 128.8 | 170.8 | -52.7 | 0 | 0 | 0 | 0 | 108.8 | T76 Y85 M242 | T76-T83 PolarHBondContact N-O 3.16Å; T76-T83 PolarHBondContact O-N 3.38Å; T83-Y85 HydrophobicContact CG2-CD2 4.25Å; T83-Y85 HydrophobicContact CG2-CE1 4.42Å; T83-Y85 HydrophobicContact CG2-CE2 3.52Å; T83-M242 CarbonylContact C-O 3.58Å; T83-M242 WeakPolarHBondContact CA-O 3.41Å; T83-M242 HydrophobicContact CG2-CB 4.34Å; T83-M242 HydrophobicContact CG2-CE 4.17Å |
| 84 | Q | 92.4 | Very high | 92.4 | Very high | 3 Ų | 3 | 60.2 Ų | 60.2 | 1% | 0.014 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 138.4 | 174.2 | -176.6 | -178.6 | -56.2 | 0 | 0 | 110.5 | Q73 L74 V75 N86 M242 L244 | Q73-Q84 HydrophobicContact CB-CG 4.12Å; Q73-Q84 VanDerWaalsContact CD-NE2 3.34Å; L74-Q84 CarbonylContact O-C 3.47Å; L74-Q84 WeakPolarHBondContact O-CA 3.44Å; V75-Q84 HydrophobicContact CG2-CB 4.21Å; V75-Q84 HydrophobicContact CG2-CG 4.08Å; Q84-N86 PolarHBondContact NE2-OD1 3.06Å; Q84-M242 PolarHBondContact N-O 2.68Å; Q84-M242 WeakPolarHBondContact O-CB 3.29Å; Q84-M242 WeakPolarHBondContact O-CE 3.44Å; Q84-M242 WeakPolarHBondContact O-CG 3.44Å; Q84-L244 HydrophobicContact CB-CD1 4.18Å |
| 85 | Y | 90 | Very high | 92.7 | Very high | 109 Ų | 109 | 62.2 Ų | 62.2 | 43% | 0.427 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 132.2 | 173.9 | -60.8 | -96.5 | 0 | 0 | 0 | 108.9 | L74 T83 M242 | L74-Y85 PolarHBondContact N-O 3.31Å; L74-Y85 PolarHBondContact O-N 3.28Å; T83-Y85 HydrophobicContact CG2-CD2 4.25Å; T83-Y85 HydrophobicContact CG2-CE1 4.42Å; T83-Y85 HydrophobicContact CG2-CE2 3.52Å; Y85-M242 HydrophobicContact CD1-CE 3.53Å; Y85-M242 HydrophobicContact CE1-CE 3.64Å; Y85-M242 HydrophobicContact CG-CE 4.12Å |
| 86 | N | 92.1 | Very high | 92.9 | Very high | 84 Ų | 84 | 66.6 Ų | 66.6 | 45% | 0.449 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 121 | -177.2 | -64.3 | -13 | 0 | 0 | 0 | 109.8 | I71 Q84 | I71-N86 HydrophobicContact CB-CB 4.14Å; I71-N86 HydrophobicContact CD1-CB 4.2Å; I71-N86 WeakPolarHBondContact CD1-ND2 3.32Å; I71-N86 HydrophobicContact CG2-CB 4.13Å; Q84-N86 PolarHBondContact NE2-OD1 3.06Å |
| 87 | I | 90.3 | Very high | 93.5 | Very high | 76 Ų | 76 | 63.5 Ų | 63.5 | 39% | 0.39 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 105.5 | 176.1 | -57.5 | 174.6 | 0 | 0 | 0 | 108.2 | Q72 L74 | Q72-I87 HydrophobicContact CB-CB 4.46Å; Q72-I87 PolarHBondContact N-O 3.05Å; Q72-I87 PolarHBondContact O-N 2.96Å; L74-I87 HydrophobicContact CB-CD1 4.3Å; L74-I87 HydrophobicContact CD2-CD1 4.21Å |
| 88 | Q | 93.9 | Very high | 94.1 | Very high | 133 Ų | 133 | 65.1 Ų | 65.1 | 62% | 0.621 | 32% | 0.321 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -58.7 | 139.4 | 177.9 | -170.9 | 177.7 | -1.7 | 0 | 0 | 111.4 | A69 | A69-Q88 HydrophobicContact CB-CG 4.33Å |
| 89 | K | 95.1 | Very high | 94.7 | Very high | 73 Ų | 73 | 67.7 Ų | 67.7 | 32% | 0.317 | 33% | 0.331 | S | S | . | . | trans | -112.3 | 170.9 | 173.8 | -57.3 | -59.7 | 179.1 | -179 | 0 | 109.9 | P70 Q72 | P70-K89 HydrophobicContact CG-CB 4.2Å; P70-K89 WeakPolarHBondContact O-CB 3.4Å; P70-K89 PolarHBondContact O-N 3.2Å; Q72-K89 HydrophobicContact CB-CD 4.48Å; Q72-K89 HydrophobicContact CB-CG 4.33Å | ||
| 90 | K | 95.6 | Very high | 95.1 | Very high | 187 Ų | 187 | 65 Ų | 65 | 81% | 0.813 | 31% | 0.307 | S | S | * | . | trans | -61.5 | 149 | 172.4 | -62.5 | -173 | 178.6 | -173.9 | 0 | 110 | P70 | P70-K90 WeakPolarHBondContact CG-O 3.13Š| ||
| 91 | A | 97.4 | Very high | 95.7 | Very high | 60 Ų | 60 | 64.7 Ų | 64.7 | 50% | 0.496 | 30% | 0.304 | S | S | . | . | trans | -53.1 | 147.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | V66 I67 P68 | V66-A91 HydrophobicContact CG1-CB 4.23Å; I67-A91 VanDerWaalsContact O-CA 3.23Å; I67-A91 WeakPolarHBondContact O-CA 3.37Å; P68-A91 WeakPolarHBondContact O-CB 3.19Å | ||
| 92 | M | 97.8 | Very high | 95.9 | Very high | 27 Ų | 27 | 67.6 Ų | 67.6 | 13% | 0.133 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 159.7 | 177.9 | 65.1 | -175.4 | 58.5 | 0 | 0 | 110.7 | I67 P70 E96 F97 I100 | I67-M92 WeakPolarHBondContact CB-O 3.33Å; I67-M92 PolarHBondContact N-O 2.85Å; I67-M92 PolarHBondContact O-N 2.88Å; I67-M92 VanDerWaalsContact O-N 3.11Å; P70-M92 HydrophobicContact CG-CE 4.09Å; P70-M92 HydrophobicContact CG-CG 4.22Å; P70-M92 HydrophobicContact CG-SD 4.48Å; M92-E96 HydrophobicContact CB-CB 4.23Å; M92-F97 HydrophobicContact CG-CB 4.39Å; M92-F97 HydrophobicContact SD-CB 3.99Å; M92-F97 HydrophobicContact SD-CD2 3.95Å; M92-F97 HydrophobicContact SD-CG 4.47Å; M92-I100 HydrophobicContact CE-CD1 4.13Å; M92-I100 HydrophobicContact SD-CD1 3.96Å |
| 93 | T | 98.4 | Very high | 96.1 | Very high | 27 Ų | 27 | 69 Ų | 69 | 17% | 0.166 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 158.8 | 173.8 | 57.5 | 0 | 0 | 0 | 0 | 112.4 | L65 R95 E96 F97 | L65-T93 CarbonylContact O-C 3.25Å; L65-T93 WeakPolarHBondContact O-CA 3.36Å; T93-R95 PolarHBondContact O-N 3.08Å; T93-E96 WeakPolarHBondContact CB-OE2 3.41Å; T93-E96 PolarHBondContact N-OE2 2.78Å; T93-E96 PolarHBondContact O-N 2.94Å; T93-E96 WeakPolarHBondContact OG1-CB 3.4Å; T93-E96 VanDerWaalsContact OG1-CG 3.25Å; T93-E96 WeakPolarHBondContact OG1-CG 3.5Å; T93-E96 PolarHBondContact OG1-N 2.92Å; T93-E96 VanDerWaalsContact OG1-N 3.15Å; T93-E96 PolarHBondContact OG1-OE2 2.92Å; T93-F97 WeakPolarHBondContact O-CB 3.39Å; T93-F97 PolarHBondContact O-N 2.81Å |
| 94 | V | 98.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 75.5 Ų | 75.5 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -58 | -36.2 | 169.5 | 174.2 | 0 | 0 | 0 | 0 | 111.1 | I62 D63 L65 I67 F97 R98 F178 F283 | I62-V94 HydrophobicContact CG1-CG1 4.27Å; D63-V94 PolarHBondContact O-N 3.41Å; L65-V94 HydrophobicContact CB-CG2 3.95Å; L65-V94 HydrophobicContact CD2-CG2 3.87Å; L65-V94 HydrophobicContact CG-CG2 4.49Å; L65-V94 PolarHBondContact O-N 2.9Å; I67-V94 HydrophobicContact CD1-CG2 4.32Å; I67-V94 HydrophobicContact CG1-CG2 4.27Å; V94-F97 PolarHBondContact O-N 3.02Å; V94-R98 VanDerWaalsContact O-CB 3.31Å; V94-R98 WeakPolarHBondContact O-CB 3.08Å; V94-R98 PolarHBondContact O-N 2.87Å; V94-F178 HydrophobicContact CB-CE1 4.4Å; V94-F178 HydrophobicContact CG1-CD1 4.12Å; V94-F178 HydrophobicContact CG1-CE1 3.91Å; V94-F178 HydrophobicContact CG2-CD1 3.96Å; V94-F178 HydrophobicContact CG2-CD2 4.44Å; V94-F178 HydrophobicContact CG2-CE1 3.48Å; V94-F178 VanDerWaalsContact CG2-CE1 3.48Å; V94-F178 HydrophobicContact CG2-CE2 4.02Å; V94-F178 HydrophobicContact CG2-CG 4.42Å; V94-F178 HydrophobicContact CG2-CZ 3.52Å; V94-F283 HydrophobicContact CG1-CZ 4.23Å |
| 95 | R | 98.1 | Very high | 96.2 | Very high | 108 Ų | 108 | 81.7 Ų | 81.7 | 41% | 0.408 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -58.4 | -47.1 | 174.1 | -173.7 | -178 | -62.8 | 128.8 | -3.5 | 112.6 | D63 D64 T93 K99 | D63-R95 HydrophobicContact CB-CB 4.2Å; D63-R95 WeakPolarHBondContact O-CB 3.39Å; D63-R95 PolarHBondContact O-N 2.98Å; D63-R95 WeakPolarHBondContact OD2-CB 3.36Å; D63-R95 VanDerWaalsContact OD2-CG 3.3Å; D63-R95 WeakPolarHBondContact OD2-CG 3.24Å; D63-R95 IonicContact OD2-CZ 3.06Å; D63-R95 IonicContact OD2-NE 2.64Å; D63-R95 PolarHBondContact OD2-NE 2.84Å; D63-R95 IonicContact OD2-NH2 2.75Å; D64-R95 IonicContact OD1-CZ 3.72Å; D64-R95 IonicContact OD1-NH1 3.58Å; D64-R95 PolarHBondContact OD1-NH1 3.4Å; D64-R95 IonicContact OD1-NH2 3.68Å; D64-R95 PolarHBondContact OD1-NH2 3.36Å; D64-R95 IonicContact OD2-CZ 3.16Å; D64-R95 IonicContact OD2-NH1 2.71Å; D64-R95 IonicContact OD2-NH2 2.73Å; D64-R95 PolarHBondContact OD2-NH2 2.92Å; T93-R95 PolarHBondContact O-N 3.08Å; R95-K99 WeakPolarHBondContact O-CB 3.5Å; R95-K99 PolarHBondContact O-N 2.89Å; R95-K99 VanDerWaalsContact O-N 3.08Å |
| 96 | E | 98.2 | Very high | 96.5 | Very high | 101 Ų | 101 | 78 Ų | 78 | 47% | 0.472 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -66.9 | -44.2 | 176.1 | -72.7 | 165.3 | 116.4 | 0 | 0 | 111.6 | M92 T93 R98 K99 I100 | M92-E96 HydrophobicContact CB-CB 4.23Å; T93-E96 WeakPolarHBondContact CB-OE2 3.41Å; T93-E96 PolarHBondContact N-OE2 2.78Å; T93-E96 PolarHBondContact O-N 2.94Å; T93-E96 WeakPolarHBondContact OG1-CB 3.4Å; T93-E96 VanDerWaalsContact OG1-CG 3.25Å; T93-E96 WeakPolarHBondContact OG1-CG 3.5Å; T93-E96 PolarHBondContact OG1-N 2.92Å; T93-E96 VanDerWaalsContact OG1-N 3.15Å; T93-E96 PolarHBondContact OG1-OE2 2.92Å; E96-R98 PolarHBondContact O-N 3.02Å; E96-K99 WeakPolarHBondContact O-CB 3.22Å; E96-K99 PolarHBondContact O-N 3.05Å; E96-I100 WeakPolarHBondContact O-CG1 3.21Å; E96-I100 PolarHBondContact O-N 2.82Å |
| 97 | F | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 76.3 Ų | 76.3 | 0% | 0 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -60.3 | -45.6 | 177.7 | -176.1 | -83.6 | 0 | 0 | 0 | 111.8 | I67 M92 T93 V94 K99 I100 A101 I131 F178 G179 M180 F283 | I67-F97 HydrophobicContact CD1-CB 3.74Å; I67-F97 HydrophobicContact CD1-CD1 4.43Å; I67-F97 HydrophobicContact CD1-CD2 3.85Å; I67-F97 HydrophobicContact CD1-CG 3.75Å; M92-F97 HydrophobicContact CG-CB 4.39Å; M92-F97 HydrophobicContact SD-CB 3.99Å; M92-F97 HydrophobicContact SD-CD2 3.95Å; M92-F97 HydrophobicContact SD-CG 4.47Å; T93-F97 WeakPolarHBondContact O-CB 3.39Å; T93-F97 PolarHBondContact O-N 2.81Å; V94-F97 PolarHBondContact O-N 3.02Å; F97-K99 VanDerWaalsContact C-N 3.33Å; F97-K99 PolarHBondContact O-N 2.78Å; F97-I100 PolarHBondContact O-N 3.37Å; F97-I100 VanDerWaalsContact O-N 3.17Å; F97-A101 WeakPolarHBondContact O-CB 3.32Å; F97-A101 PolarHBondContact O-N 2.84Å; F97-I131 HydrophobicContact CE2-CB 4.43Å; F97-I131 HydrophobicContact CE2-CG2 4.2Å; F97-I131 VanDerWaalsContact CE2-O 3.29Å; F97-I131 WeakPolarHBondContact CE2-O 3.17Å; F97-I131 VanDerWaalsContact CZ-O 3.25Å; F97-I131 WeakPolarHBondContact CZ-O 3.32Å; F97-F178 HydrophobicContact CD1-CB 4.09Å; F97-F178 HydrophobicContact CE1-CB 3.86Å; F97-F178 HydrophobicContact CZ-CB 4.24Å; F97-F178 WeakPolarHBondContact CZ-O 3.4Å; F97-G179 WeakPolarHBondContact CE1-O 3.2Å; F97-M180 HydrophobicContact CD2-CE 4.34Å; F97-M180 HydrophobicContact CE1-CB 4.45Å; F97-M180 HydrophobicContact CE1-CE 4.16Å; F97-M180 HydrophobicContact CE2-CE 3.81Å; F97-M180 HydrophobicContact CZ-CB 4.39Å; F97-M180 HydrophobicContact CZ-CE 3.69Å; F97-F283 HydrophobicContact CD1-CD2 4.12Å; F97-F283 AromaticContact CD1-CE2 3.96Å; F97-F283 HydrophobicContact CD1-CE2 3.96Å; F97-F283 HydrophobicContact CE1-CD2 4.19Å; F97-F283 HydrophobicContact CE1-CE2 4.34Å |
| 98 | R | 98.3 | Very high | 97.1 | Very high | 78 Ų | 78 | 74.6 Ų | 74.6 | 29% | 0.294 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -60.7 | -40.3 | 174.5 | -174.8 | 172.4 | 68 | -132.2 | -8.6 | 111.9 | D63 V94 E96 I100 A101 N102 F283 | D63-R98 IonicContact OD1-CZ 3.67Å; D63-R98 IonicContact OD1-NH1 2.75Å; D63-R98 PolarHBondContact OD1-NH1 3.23Å; D63-R98 IonicContact OD1-NH2 2.61Å; D63-R98 PolarHBondContact OD1-NH2 3.26Å; D63-R98 IonicContact OD2-CZ 3.11Å; D63-R98 IonicContact OD2-NH2 2.69Å; D63-R98 PolarHBondContact OD2-NH2 2.85Å; V94-R98 VanDerWaalsContact O-CB 3.31Å; V94-R98 WeakPolarHBondContact O-CB 3.08Å; V94-R98 PolarHBondContact O-N 2.87Å; E96-R98 PolarHBondContact O-N 3.02Å; R98-I100 VanDerWaalsContact C-N 3.32Å; R98-I100 PolarHBondContact O-N 3.37Å; R98-A101 PolarHBondContact O-N 2.99Å; R98-N102 WeakPolarHBondContact O-CB 3.45Å; R98-N102 PolarHBondContact O-N 3.49Å; R98-F283 HydrophobicContact CB-CD1 4.48Å; R98-F283 HydrophobicContact CB-CD2 4.04Å; R98-F283 HydrophobicContact CB-CE1 4.16Å; R98-F283 HydrophobicContact CB-CE2 3.69Å; R98-F283 HydrophobicContact CB-CG 4.42Å; R98-F283 HydrophobicContact CB-CZ 3.75Å; R98-F283 HydrophobicContact CG-CD1 3.74Å; R98-F283 HydrophobicContact CG-CD2 4.08Å; R98-F283 HydrophobicContact CG-CE1 3.66Å; R98-F283 HydrophobicContact CG-CE2 4.02Å; R98-F283 HydrophobicContact CG-CG 3.95Å; R98-F283 HydrophobicContact CG-CZ 3.81Å |
| 99 | K | 98.1 | Very high | 97.2 | Very high | 172 Ų | 172 | 70.1 Ų | 70.1 | 75% | 0.748 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -64.2 | -35 | 175.7 | -173.6 | 179.4 | 179.3 | -178.5 | 0 | 112.4 | R95 E96 F97 S103 | R95-K99 WeakPolarHBondContact O-CB 3.5Å; R95-K99 PolarHBondContact O-N 2.89Å; R95-K99 VanDerWaalsContact O-N 3.08Å; E96-K99 WeakPolarHBondContact O-CB 3.22Å; E96-K99 PolarHBondContact O-N 3.05Å; F97-K99 VanDerWaalsContact C-N 3.33Å; F97-K99 PolarHBondContact O-N 2.78Å; K99-S103 PolarHBondContact O-N 3.34Å |
| 100 | I | 98.1 | Very high | 97.2 | Very high | 48 Ų | 48 | 78 Ų | 78 | 25% | 0.246 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -70.6 | -51 | 172.9 | -64.3 | 163.9 | 0 | 0 | 0 | 110 | M92 E96 F97 R98 N102 S103 Y106 M180 | M92-I100 HydrophobicContact CE-CD1 4.13Å; M92-I100 HydrophobicContact SD-CD1 3.96Å; E96-I100 WeakPolarHBondContact O-CG1 3.21Å; E96-I100 PolarHBondContact O-N 2.82Å; F97-I100 PolarHBondContact O-N 3.37Å; F97-I100 VanDerWaalsContact O-N 3.17Å; R98-I100 VanDerWaalsContact C-N 3.32Å; R98-I100 PolarHBondContact O-N 3.37Å; I100-N102 VanDerWaalsContact C-N 3.27Å; I100-N102 PolarHBondContact O-N 2.8Å; I100-S103 WeakPolarHBondContact O-CB 3.3Å; I100-S103 PolarHBondContact O-N 3.32Å; I100-S103 VanDerWaalsContact O-N 3.11Å; I100-S103 PolarHBondContact O-OG 2.76Å; I100-Y106 HydrophobicContact CG2-CD2 3.58Å; I100-Y106 HydrophobicContact CG2-CE2 3.78Å; I100-Y106 HydrophobicContact CG2-CG 4.4Å; I100-M180 HydrophobicContact CB-CE 4.39Å; I100-M180 HydrophobicContact CG2-CE 3.89Å |
| 101 | A | 98.2 | Very high | 97.2 | Very high | 2 Ų | 2 | 73.1 Ų | 73.1 | 2% | 0.017 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -55.7 | -39.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | F97 R98 Y106 C107 M180 F283 | F97-A101 WeakPolarHBondContact O-CB 3.32Å; F97-A101 PolarHBondContact O-N 2.84Å; R98-A101 PolarHBondContact O-N 2.99Å; A101-Y106 CarbonylContact O-C 3.48Å; A101-Y106 VanDerWaalsContact O-C 3.29Å; A101-C107 WeakPolarHBondContact O-CA 3.12Å; A101-C107 PolarHBondContact O-N 2.8Å; A101-M180 HydrophobicContact CB-CB 3.55Å; A101-M180 HydrophobicContact CB-CE 4.04Å; A101-F283 HydrophobicContact CB-CB 3.91Å; A101-F283 HydrophobicContact CB-CD2 4.03Å; A101-F283 HydrophobicContact CB-CG 4.37Å |
| 102 | N | 97.7 | Very high | 96.9 | Very high | 96 Ų | 96 | 75.6 Ų | 75.6 | 51% | 0.513 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | 5.7 | -177.8 | -64.2 | -1.9 | 0 | 0 | 0 | 113.8 | R98 I100 F283 | R98-N102 WeakPolarHBondContact O-CB 3.45Å; R98-N102 PolarHBondContact O-N 3.49Å; I100-N102 VanDerWaalsContact C-N 3.27Å; I100-N102 PolarHBondContact O-N 2.8Å; N102-F283 WeakPolarHBondContact OD1-CB 3.47Å |
| 103 | S | 97.9 | Very high | 96.7 | Very high | 41 Ų | 41 | 78.9 Ų | 78.9 | 29% | 0.287 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -76.4 | 151.9 | 173.1 | 69.5 | 0 | 0 | 0 | 0 | 111.6 | K99 I100 K105 Y106 C107 | K99-S103 PolarHBondContact O-N 3.34Å; I100-S103 WeakPolarHBondContact O-CB 3.3Å; I100-S103 PolarHBondContact O-N 3.32Å; I100-S103 VanDerWaalsContact O-N 3.11Å; I100-S103 PolarHBondContact O-OG 2.76Å; S103-K105 PolarHBondContact O-N 2.94Å; S103-Y106 PolarHBondContact O-N 3.22Å; S103-C107 WeakPolarHBondContact O-CB 3.32Å; S103-C107 PolarHBondContact O-N 2.76Å |
| 104 | D | 95.6 | Very high | 96.3 | Very high | 161 Ų | 161 | 80.2 Ų | 80.2 | 86% | 0.861 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -21.4 | -177 | -51.2 | -67.6 | 0 | 0 | 0 | 114.2 | ||
| 105 | K | 93.6 | Very high | 96.1 | Very high | 132 Ų | 132 | 84.5 Ų | 84.5 | 57% | 0.574 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | -33.1 | 175.5 | 180 | 168.1 | 178.9 | 167.7 | 0 | 113.6 | S103 N128 | S103-K105 PolarHBondContact O-N 2.94Å; K105-N128 WeakPolarHBondContact CE-OD1 3.39Å; K105-N128 PolarHBondContact O-ND2 3.07Å |
| 106 | Y | 95.8 | Very high | 96 | Very high | 31 Ų | 31 | 81.5 Ų | 81.5 | 12% | 0.122 | 40% | 0.395 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -122.9 | -3.5 | -173.1 | -61.4 | -73.3 | 0 | 0 | 0 | 114 | I100 A101 S103 N128 M180 W181 | I100-Y106 HydrophobicContact CG2-CD2 3.58Å; I100-Y106 HydrophobicContact CG2-CE2 3.78Å; I100-Y106 HydrophobicContact CG2-CG 4.4Å; A101-Y106 CarbonylContact O-C 3.48Å; A101-Y106 VanDerWaalsContact O-C 3.29Å; S103-Y106 PolarHBondContact O-N 3.22Å; Y106-N128 WeakPolarHBondContact CD1-ND2 3.34Å; Y106-N128 WeakPolarHBondContact CE1-OD1 3.1Å; Y106-M180 HydrophobicContact CD1-SD 4.16Å; Y106-M180 HydrophobicContact CG-SD 4.12Å; Y106-W181 WeakPolarHBondContact O-CB 3.33Å |
| 107 | C | 96.1 | Very high | 95.9 | Very high | 50 Ų | 50 | 76.7 Ų | 76.7 | 34% | 0.338 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -62.3 | 156.5 | 178 | 66.5 | 0 | 0 | 0 | 0 | 112.6 | A101 S103 | A101-C107 WeakPolarHBondContact O-CA 3.12Å; A101-C107 PolarHBondContact O-N 2.8Å; S103-C107 WeakPolarHBondContact O-CB 3.32Å; S103-C107 PolarHBondContact O-N 2.76Å |
| 108 | T | 98 | Very high | 95.9 | Very high | 40 Ų | 40 | 77.5 Ų | 77.5 | 25% | 0.245 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -60.2 | 125.2 | 173.3 | -48.8 | 0 | 0 | 0 | 0 | 110.7 | Y111 L117 H281 G282 | T108-Y111 HydrophobicContact CG2-CD1 4.2Å; T108-Y111 HydrophobicContact CG2-CE1 3.83Å; T108-L117 HydrophobicContact CG2-CD1 4.01Å; T108-L117 HydrophobicContact CG2-CD2 4.45Å; T108-H281 WeakPolarHBondContact CB-O 3.19Å; T108-H281 WeakPolarHBondContact CG2-O 3.48Å; T108-H281 PolarHBondContact OG1-O 3.39Å; T108-G282 VanDerWaalsContact OG1-CA 3.29Å; T108-G282 WeakPolarHBondContact OG1-CA 3.41Å |
| 109 | P | 96.7 | Very high | 95.7 | Very high | 39 Ų | 39 | 79.7 Ų | 79.7 | 25% | 0.253 | 39% | 0.385 | S | S | . | . | P | Polyproline II helix | trans | -71.4 | 138.8 | 178.1 | 29.6 | -35 | 0 | 0 | 0 | 109.2 | Y111 L117 K120 W181 | P109-Y111 WeakPolarHBondContact O-CD1 3.39Å; P109-Y111 PolarHBondContact O-N 3.46Å; P109-L117 HydrophobicContact CG-CD1 4.2Å; P109-K120 HydrophobicContact CG-CD 4.27Å; P109-W181 HydrophobicContact CG-CH2 4.48Å; P109-W181 HydrophobicContact CG-CZ2 3.66Å |
| 110 | R | 94.7 | Very high | 95.6 | Very high | 237 Ų | 237 | 74 Ų | 74 | 89% | 0.894 | 36% | 0.36 | S | S | * | . | P | Polyproline II helix | trans | -48.2 | 134.9 | 178.2 | -61.9 | -177.4 | -176.1 | 176.7 | 1.8 | 111.5 | K120 | R110-K120 PolarHBondContact O-NZ 3.14Š|
| 111 | Y | 96 | Very high | 95.6 | Very high | 86 Ų | 86 | 71.7 Ų | 71.7 | 34% | 0.337 | 35% | 0.348 | S | S | . | . | trans | -147.5 | 162.1 | 178.8 | 67 | -82.2 | 0 | 0 | 0 | 110.2 | T108 P109 E113 E116 L117 | T108-Y111 HydrophobicContact CG2-CD1 4.2Å; T108-Y111 HydrophobicContact CG2-CE1 3.83Å; P109-Y111 WeakPolarHBondContact O-CD1 3.39Å; P109-Y111 PolarHBondContact O-N 3.46Å; Y111-E113 WeakPolarHBondContact CD2-O 3.43Å; Y111-E116 WeakPolarHBondContact CA-OE2 3.39Å; Y111-L117 HydrophobicContact CD1-CB 4.32Å; Y111-L117 HydrophobicContact CD1-CD1 3.76Å; Y111-L117 HydrophobicContact CD1-CD2 4.24Å; Y111-L117 HydrophobicContact CD1-CG 4.33Å; Y111-L117 HydrophobicContact CD2-CB 4Å; Y111-L117 HydrophobicContact CE1-CD1 4.17Å; Y111-L117 HydrophobicContact CE1-CD2 3.89Å; Y111-L117 HydrophobicContact CE1-CG 4.47Å; Y111-L117 HydrophobicContact CE2-CB 4.35Å; Y111-L117 HydrophobicContact CE2-CD2 4.35Å; Y111-L117 HydrophobicContact CG-CB 3.97Å; Y111-L117 HydrophobicContact CG-CD1 4.16Å; Y111-L117 HydrophobicContact CG-CG 4.47Å | ||
| 112 | S | 90.9 | Very high | 95.6 | Very high | 112 Ų | 112 | 73.3 Ų | 73.3 | 78% | 0.783 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -105.9 | -35 | -176 | -32.1 | 0 | 0 | 0 | 0 | 112.3 | E116 | S112-E116 WeakPolarHBondContact CB-OE2 3.49Å; S112-E116 PolarHBondContact N-OE2 3.47Å; S112-E116 PolarHBondContact OG-OE2 2.98Å |
| 113 | E | 92.8 | Very high | 95.4 | Very high | 96 Ų | 96 | 76.6 Ų | 76.6 | 45% | 0.449 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -142.6 | 154.2 | -176.2 | 58.3 | 171.7 | -164.1 | 0 | 0 | 109.9 | Y111 E115 E116 L117 R119 | Y111-E113 WeakPolarHBondContact CD2-O 3.43Å; E113-E115 HydrophobicContact CG-CB 4.49Å; E113-E115 PolarHBondContact O-N 3.38Å; E113-E116 HydrophobicContact CG-CB 3.83Å; E113-E116 WeakPolarHBondContact O-CB 3.35Å; E113-E116 PolarHBondContact O-N 3.21Å; E113-L117 PolarHBondContact O-N 2.74Å; E113-R119 IonicContact OE1-CZ 3.42Å; E113-R119 IonicContact OE1-NH1 3.83Å; E113-R119 PolarHBondContact OE1-NH1 2.88Å; E113-R119 VanDerWaalsContact OE1-NH1 3.07Å; E113-R119 IonicContact OE1-NH2 2.72Å; E113-R119 PolarHBondContact OE1-NH2 2.85Å |
| 114 | F | 91.6 | Very high | 95 | Very high | 55 Ų | 55 | 77.3 Ų | 77.3 | 24% | 0.241 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -54.7 | -39.5 | 178.4 | 165.6 | -119.5 | 0 | 0 | 0 | 112.7 | E116 L117 E118 S207 K259 F279 H281 | F114-E116 PolarHBondContact O-N 3Å; F114-L117 PolarHBondContact O-N 2.79Å; F114-E118 HydrophobicContact CE2-CB 4.19Å; F114-E118 HydrophobicContact CZ-CB 4.15Å; F114-E118 PolarHBondContact O-N 3.36Å; F114-S207 WeakPolarHBondContact CE2-OG 3.42Å; F114-S207 VanDerWaalsContact CZ-OG 3.25Å; F114-S207 WeakPolarHBondContact CZ-OG 3.32Å; F114-K259 HydrophobicContact CE1-CD 4.22Å; F114-F279 AromaticContact CE2-CZ 3.96Å; F114-F279 HydrophobicContact CE2-CZ 3.96Å; F114-H281 AromaticContact CD2-CE1 3.66Å; F114-H281 AromaticContact CD2-NE2 3.98Å; F114-H281 AromaticContact CE2-CE1 3.99Å; F114-H281 AromaticContact CE2-NE2 3.82Å |
| 115 | E | 93.1 | Very high | 94.8 | Very high | 90 Ų | 90 | 69.9 Ų | 69.9 | 42% | 0.421 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63.5 | -26.8 | 178.4 | -59 | -140.5 | 137.2 | 0 | 0 | 112.8 | E113 R119 K259 | E113-E115 HydrophobicContact CG-CB 4.49Å; E113-E115 PolarHBondContact O-N 3.38Å; E115-R119 VanDerWaalsContact C-CZ 3.5Å; E115-R119 WeakPolarHBondContact O-CB 3.4Å; E115-R119 WeakPolarHBondContact O-CG 3.41Å; E115-R119 PolarHBondContact O-N 2.78Å; E115-R119 PolarHBondContact O-NE 2.82Å; E115-R119 IonicContact OE2-NH1 3.92Å; E115-K259 IonicContact OE1-NZ 3.11Å; E115-K259 PolarHBondContact OE1-NZ 2.86Å |
| 116 | E | 96.1 | Very high | 94.7 | Very high | 44 Ų | 44 | 65.5 Ų | 65.5 | 21% | 0.206 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -70.5 | -39.2 | 174.1 | -158.5 | -161.3 | 153.8 | 0 | 0 | 111.1 | Y111 S112 E113 F114 R119 K120 | Y111-E116 WeakPolarHBondContact CA-OE2 3.39Å; S112-E116 WeakPolarHBondContact CB-OE2 3.49Å; S112-E116 PolarHBondContact N-OE2 3.47Å; S112-E116 PolarHBondContact OG-OE2 2.98Å; E113-E116 HydrophobicContact CG-CB 3.83Å; E113-E116 WeakPolarHBondContact O-CB 3.35Å; E113-E116 PolarHBondContact O-N 3.21Å; F114-E116 PolarHBondContact O-N 3Å; E116-R119 VanDerWaalsContact CA-NH2 3.35Å; E116-R119 PolarHBondContact O-N 3.37Å; E116-K120 VanDerWaalsContact O-CG 3.32Å; E116-K120 WeakPolarHBondContact O-CG 3.3Å; E116-K120 PolarHBondContact O-N 3.48Å; E116-K120 WeakPolarHBondContact OE1-CE 3.17Å; E116-K120 IonicContact OE1-NZ 2.71Å; E116-K120 PolarHBondContact OE1-NZ 3.22Å |
| 117 | L | 96.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -69.5 | -41.5 | 174.9 | -166.6 | 68 | 0 | 0 | 0 | 111.7 | T108 P109 Y111 E113 F114 R119 K120 Y121 W181 H281 | T108-L117 HydrophobicContact CG2-CD1 4.01Å; T108-L117 HydrophobicContact CG2-CD2 4.45Å; P109-L117 HydrophobicContact CG-CD1 4.2Å; Y111-L117 HydrophobicContact CD1-CB 4.32Å; Y111-L117 HydrophobicContact CD1-CD1 3.76Å; Y111-L117 HydrophobicContact CD1-CD2 4.24Å; Y111-L117 HydrophobicContact CD1-CG 4.33Å; Y111-L117 HydrophobicContact CD2-CB 4Å; Y111-L117 HydrophobicContact CE1-CD1 4.17Å; Y111-L117 HydrophobicContact CE1-CD2 3.89Å; Y111-L117 HydrophobicContact CE1-CG 4.47Å; Y111-L117 HydrophobicContact CE2-CB 4.35Å; Y111-L117 HydrophobicContact CE2-CD2 4.35Å; Y111-L117 HydrophobicContact CG-CB 3.97Å; Y111-L117 HydrophobicContact CG-CD1 4.16Å; Y111-L117 HydrophobicContact CG-CG 4.47Å; E113-L117 PolarHBondContact O-N 2.74Å; F114-L117 PolarHBondContact O-N 2.79Å; L117-R119 VanDerWaalsContact C-N 3.34Å; L117-R119 PolarHBondContact O-N 2.66Å; L117-K120 PolarHBondContact O-N 2.68Å; L117-K120 VanDerWaalsContact O-N 3.15Å; L117-Y121 WeakPolarHBondContact O-CB 3.48Å; L117-Y121 PolarHBondContact O-N 2.75Å; L117-W181 HydrophobicContact CD1-CE3 4.15Å; L117-W181 HydrophobicContact CD1-CH2 3.38Å; L117-W181 HydrophobicContact CD1-CZ2 4.06Å; L117-W181 HydrophobicContact CD1-CZ3 3.46Å; L117-W181 VanDerWaalsContact CD1-CZ3 3.46Å; L117-W181 HydrophobicContact CD2-CZ3 4.02Å; L117-W181 HydrophobicContact CG-CH2 3.77Å; L117-W181 HydrophobicContact CG-CZ3 3.58Å; L117-H281 HydrophobicContact CD2-CB 3.88Å; L117-H281 VanDerWaalsContact CD2-ND1 3.35Å; L117-H281 WeakPolarHBondContact CD2-ND1 3.43Å |
| 118 | E | 97.8 | Very high | 94 | Very high | 17 Ų | 17 | 71.4 Ų | 71.4 | 8% | 0.079 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -56.4 | -46.3 | 171.5 | 179.3 | -179.5 | -148.3 | 0 | 0 | 111.3 | F114 K120 Y121 W122 Y209 K259 | F114-E118 HydrophobicContact CE2-CB 4.19Å; F114-E118 HydrophobicContact CZ-CB 4.15Å; F114-E118 PolarHBondContact O-N 3.36Å; E118-K120 PolarHBondContact O-N 3.07Å; E118-Y121 PolarHBondContact O-N 3.06Å; E118-W122 VanDerWaalsContact O-CD1 3.3Å; E118-W122 PolarHBondContact O-N 2.83Å; E118-W122 VanDerWaalsContact O-N 3.1Å; E118-Y209 WeakPolarHBondContact CG-OH 3.36Å; E118-Y209 WeakPolarHBondContact OE1-CE1 3.29Å; E118-Y209 PolarHBondContact OE1-OH 2.82Å; E118-Y209 VanDerWaalsContact OE1-OH 3.05Å; E118-K259 IonicContact OE1-NZ 3.08Å; E118-K259 IonicContact OE2-NZ 3.19Å; E118-K259 PolarHBondContact OE2-NZ 3.29Å |
| 119 | R | 94.8 | Very high | 93.9 | Very high | 124 Ų | 124 | 70.9 Ų | 70.9 | 47% | 0.468 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.7 | -40.1 | 175.3 | -72.2 | 176.6 | -52.2 | -115.5 | 9.1 | 111.8 | E113 E115 E116 L117 K123 | E113-R119 IonicContact OE1-CZ 3.42Å; E113-R119 IonicContact OE1-NH1 3.83Å; E113-R119 PolarHBondContact OE1-NH1 2.88Å; E113-R119 VanDerWaalsContact OE1-NH1 3.07Å; E113-R119 IonicContact OE1-NH2 2.72Å; E113-R119 PolarHBondContact OE1-NH2 2.85Å; E115-R119 VanDerWaalsContact C-CZ 3.5Å; E115-R119 WeakPolarHBondContact O-CB 3.4Å; E115-R119 WeakPolarHBondContact O-CG 3.41Å; E115-R119 PolarHBondContact O-N 2.78Å; E115-R119 PolarHBondContact O-NE 2.82Å; E115-R119 IonicContact OE2-NH1 3.92Å; E116-R119 VanDerWaalsContact CA-NH2 3.35Å; E116-R119 PolarHBondContact O-N 3.37Å; L117-R119 VanDerWaalsContact C-N 3.34Å; L117-R119 PolarHBondContact O-N 2.66Å; R119-K123 VanDerWaalsContact O-CB 3.25Å; R119-K123 WeakPolarHBondContact O-CB 3.24Å; R119-K123 PolarHBondContact O-N 2.64Å |
| 120 | K | 96.3 | Very high | 94 | Very high | 52 Ų | 52 | 69.2 Ų | 69.2 | 23% | 0.226 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -68.3 | -40.4 | 176.6 | -74.9 | 173.9 | -170.9 | -179.8 | 0 | 112.6 | P109 R110 E116 L117 E118 N124 W181 | P109-K120 HydrophobicContact CG-CD 4.27Å; R110-K120 PolarHBondContact O-NZ 3.14Å; E116-K120 VanDerWaalsContact O-CG 3.32Å; E116-K120 WeakPolarHBondContact O-CG 3.3Å; E116-K120 PolarHBondContact O-N 3.48Å; E116-K120 WeakPolarHBondContact OE1-CE 3.17Å; E116-K120 IonicContact OE1-NZ 2.71Å; E116-K120 PolarHBondContact OE1-NZ 3.22Å; L117-K120 PolarHBondContact O-N 2.68Å; L117-K120 VanDerWaalsContact O-N 3.15Å; E118-K120 PolarHBondContact O-N 3.07Å; K120-N124 VanDerWaalsContact O-CB 3.22Å; K120-N124 WeakPolarHBondContact O-CB 3.22Å; K120-N124 VanDerWaalsContact O-CG 3.3Å; K120-N124 PolarHBondContact O-N 3.16Å; K120-W181 HydrophobicContact CB-CH2 4.46Å; K120-W181 HydrophobicContact CB-CZ2 4.39Å |
| 121 | Y | 98 | Very high | 94.1 | Very high | 1 Ų | 1 | 58.7 Ų | 58.7 | 0% | 0.004 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -58.3 | -58.6 | 174.7 | 166.7 | -106.6 | 0 | 0 | 0 | 110.7 | L117 E118 K123 N124 L125 K182 S184 F279 | L117-Y121 WeakPolarHBondContact O-CB 3.48Å; L117-Y121 PolarHBondContact O-N 2.75Å; E118-Y121 PolarHBondContact O-N 3.06Å; Y121-K123 VanDerWaalsContact C-N 3.29Å; Y121-K123 PolarHBondContact O-N 3.3Å; Y121-N124 PolarHBondContact O-N 3.07Å; Y121-N124 VanDerWaalsContact O-N 3.15Å; Y121-L125 HydrophobicContact CE2-CB 4.22Å; Y121-L125 WeakPolarHBondContact O-CB 3.27Å; Y121-L125 PolarHBondContact O-N 2.95Å; Y121-K182 HydrophobicContact CD2-CB 4.2Å; Y121-K182 HydrophobicContact CD2-CG 4.33Å; Y121-K182 HydrophobicContact CE2-CB 4.4Å; Y121-S184 WeakPolarHBondContact CE2-OG 3.5Å; Y121-S184 PolarHBondContact OH-OG 2.82Å; Y121-S184 VanDerWaalsContact OH-OG 3.04Å; Y121-F279 HydrophobicContact CD1-CB 4.46Å; Y121-F279 AromaticContact CD1-CD1 3.47Å; Y121-F279 HydrophobicContact CD1-CD1 3.47Å; Y121-F279 VanDerWaalsContact CD1-CD1 3.47Å; Y121-F279 HydrophobicContact CD1-CD2 4.35Å; Y121-F279 AromaticContact CD1-CE1 3.69Å; Y121-F279 HydrophobicContact CD1-CE1 3.69Å; Y121-F279 AromaticContact CD1-CG 3.84Å; Y121-F279 HydrophobicContact CD1-CG 3.84Å; Y121-F279 HydrophobicContact CD1-CZ 4.21Å; Y121-F279 HydrophobicContact CD2-CB 3.94Å; Y121-F279 HydrophobicContact CD2-CD1 4.33Å; Y121-F279 AromaticContact CD2-CD2 4Å; Y121-F279 HydrophobicContact CD2-CD2 4Å; Y121-F279 AromaticContact CD2-CG 3.82Å; Y121-F279 HydrophobicContact CD2-CG 3.82Å; Y121-F279 HydrophobicContact CE1-CB 4.19Å; Y121-F279 AromaticContact CE1-CD1 3.6Å; Y121-F279 HydrophobicContact CE1-CD1 3.6Å; Y121-F279 HydrophobicContact CE1-CE1 4.21Å; Y121-F279 AromaticContact CE1-CG 3.99Å; Y121-F279 HydrophobicContact CE1-CG 3.99Å; Y121-F279 HydrophobicContact CE2-CB 3.66Å; Y121-F279 HydrophobicContact CE2-CD1 4.45Å; Y121-F279 AromaticContact CE2-CG 4Å; Y121-F279 HydrophobicContact CE2-CG 4Å; Y121-F279 HydrophobicContact CG-CB 4.35Å; Y121-F279 AromaticContact CG-CD1 3.87Å; Y121-F279 HydrophobicContact CG-CD1 3.87Å; Y121-F279 AromaticContact CG-CD2 3.89Å; Y121-F279 HydrophobicContact CG-CD2 3.89Å; Y121-F279 HydrophobicContact CG-CE1 4.11Å; Y121-F279 HydrophobicContact CG-CE2 4.12Å; Y121-F279 AromaticContact CG-CG 3.76Å; Y121-F279 HydrophobicContact CG-CG 3.76Å; Y121-F279 HydrophobicContact CG-CZ 4.22Å |
| 122 | W | 97.1 | Very high | 94.3 | Very high | 36 Ų | 36 | 55.4 Ų | 55.4 | 14% | 0.136 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -67.7 | -24 | -177.3 | -72.3 | 114.5 | 0 | 0 | 0 | 114.4 | F82 E118 L125 Y209 I245 P247 | F82-W122 HydrophobicContact CD2-CZ3 4.27Å; F82-W122 HydrophobicContact CE2-CE3 4.06Å; F82-W122 HydrophobicContact CE2-CZ3 4.19Å; E118-W122 VanDerWaalsContact O-CD1 3.3Å; E118-W122 PolarHBondContact O-N 2.83Å; E118-W122 VanDerWaalsContact O-N 3.1Å; W122-L125 HydrophobicContact CE3-CD1 4.2Å; W122-L125 HydrophobicContact CZ3-CD1 4.2Å; W122-Y209 AromaticContact CZ2-CE2 3.8Å; W122-Y209 HydrophobicContact CZ2-CE2 3.8Å; W122-Y209 AromaticContact NE1-CZ 3.66Å; W122-Y209 PolarHBondContact NE1-OH 2.72Å; W122-I245 WeakPolarHBondContact CH2-O 3.32Å; W122-P247 VanDerWaalsContact NE1-CD 3.29Å |
| 123 | K | 92.8 | Very high | 94.6 | Very high | 164 Ų | 164 | 50 Ų | 50 | 71% | 0.713 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -73.8 | -41.2 | 171.5 | -173.2 | -170.6 | 173.1 | -172.1 | 0 | 112.1 | R119 Y121 | R119-K123 VanDerWaalsContact O-CB 3.25Å; R119-K123 WeakPolarHBondContact O-CB 3.24Å; R119-K123 PolarHBondContact O-N 2.64Å; Y121-K123 VanDerWaalsContact C-N 3.29Å; Y121-K123 PolarHBondContact O-N 3.3Å |
| 124 | N | 91.6 | Very high | 94.6 | Very high | 56 Ų | 56 | 46 Ų | 46 | 30% | 0.299 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -107.9 | 6.3 | -163.6 | -59.1 | -8.9 | 0 | 0 | 0 | 114.2 | K120 Y121 T126 F127 K182 | K120-N124 VanDerWaalsContact O-CB 3.22Å; K120-N124 WeakPolarHBondContact O-CB 3.22Å; K120-N124 VanDerWaalsContact O-CG 3.3Å; K120-N124 PolarHBondContact O-N 3.16Å; Y121-N124 PolarHBondContact O-N 3.07Å; Y121-N124 VanDerWaalsContact O-N 3.15Å; N124-T126 VanDerWaalsContact C-N 3.31Å; N124-T126 PolarHBondContact O-N 2.82Å; N124-F127 PolarHBondContact O-N 2.96Å; N124-K182 PolarHBondContact O-NZ 2.8Å |
| 125 | L | 90.7 | Very high | 94.6 | Very high | 5 Ų | 5 | 47.4 Ų | 47.4 | 3% | 0.026 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -32.1 | -167.8 | 83.7 | 175 | 0 | 0 | 0 | 115.2 | V75 F82 Y121 W122 K182 L244 | V75-L125 HydrophobicContact CB-CG 4.48Å; V75-L125 HydrophobicContact CG1-CD1 3.9Å; V75-L125 HydrophobicContact CG1-CG 3.9Å; F82-L125 HydrophobicContact CB-CD1 4.47Å; F82-L125 HydrophobicContact CD1-CD1 4.44Å; F82-L125 HydrophobicContact CD1-CD2 3.98Å; F82-L125 HydrophobicContact CD1-CG 4.49Å; F82-L125 HydrophobicContact CD2-CD1 3.69Å; F82-L125 HydrophobicContact CD2-CD2 4.23Å; F82-L125 HydrophobicContact CE1-CD2 3.6Å; F82-L125 HydrophobicContact CE2-CD1 3.94Å; F82-L125 HydrophobicContact CE2-CD2 3.82Å; F82-L125 HydrophobicContact CG-CD1 3.96Å; F82-L125 HydrophobicContact CG-CD2 4.3Å; F82-L125 HydrophobicContact CG-CG 4.49Å; F82-L125 HydrophobicContact CZ-CD1 4.46Å; F82-L125 HydrophobicContact CZ-CD2 3.51Å; Y121-L125 HydrophobicContact CE2-CB 4.22Å; Y121-L125 WeakPolarHBondContact O-CB 3.27Å; Y121-L125 PolarHBondContact O-N 2.95Å; W122-L125 HydrophobicContact CE3-CD1 4.2Å; W122-L125 HydrophobicContact CZ3-CD1 4.2Å; L125-K182 VanDerWaalsContact C-NZ 3.28Å; L125-K182 WeakPolarHBondContact O-CE 3.15Å; L125-K182 PolarHBondContact O-NZ 2.93Å; L125-L244 HydrophobicContact CD1-CD1 4.16Å |
| 126 | T | 91.9 | Very high | 94.7 | Very high | 40 Ų | 40 | 43.5 Ų | 43.5 | 25% | 0.245 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73 | -32.2 | 179.3 | 50.8 | 0 | 0 | 0 | 0 | 113.7 | V75 F82 N124 | V75-T126 WeakPolarHBondContact O-CG2 3.13Å; F82-T126 HydrophobicContact CD1-CG2 4.13Å; F82-T126 HydrophobicContact CE1-CG2 4.25Å; N124-T126 VanDerWaalsContact C-N 3.31Å; N124-T126 PolarHBondContact O-N 2.82Å |
| 127 | F | 86.1 | Confident | 94.5 | Very high | 146 Ų | 146 | 45.3 Ų | 45.3 | 64% | 0.64 | 22% | 0.216 | S | C | * | . | S | Bend | trans | -81.5 | 141.4 | -177.5 | -56.5 | -84 | 0 | 0 | 0 | 112 | N124 K182 | N124-F127 PolarHBondContact O-N 2.96Å; F127-K182 PolarHBondContact O-NZ 3.47Å |
| 128 | N | 90.9 | Very high | 94.3 | Very high | 59 Ų | 59 | 46.6 Ų | 46.6 | 32% | 0.316 | 23% | 0.23 | S | C | . | . | S | Bend | trans | 51.4 | 79.6 | 179.2 | -171.8 | 44.9 | 0 | 0 | 0 | 113.4 | K105 Y106 P130 K182 | K105-N128 WeakPolarHBondContact CE-OD1 3.39Å; K105-N128 PolarHBondContact O-ND2 3.07Å; Y106-N128 WeakPolarHBondContact CD1-ND2 3.34Å; Y106-N128 WeakPolarHBondContact CE1-OD1 3.1Å; N128-P130 WeakPolarHBondContact O-CD 3.32Å; N128-K182 PolarHBondContact O-NZ 2.96Å |
| 129 | P | 95.5 | Very high | 94.3 | Very high | 29 Ų | 29 | 48.7 Ų | 48.7 | 19% | 0.188 | 24% | 0.244 | C | C | . | . | trans | -59.9 | 118.8 | -177.6 | -27.8 | 38 | 0 | 0 | 0 | 112.9 | Q72 Q73 L74 | Q72-P129 HydrophobicContact CG-CB 3.75Å; Q72-P129 PolarHBondContact NE2-O 2.79Å; Q73-P129 WeakPolarHBondContact O-CB 3.34Å; L74-P129 HydrophobicContact CD1-CG 3.75Å | ||
| 130 | P | 97.8 | Very high | 94.4 | Very high | 5 Ų | 5 | 43 Ų | 43 | 3% | 0.032 | 22% | 0.223 | C | C | . | . | trans | -76.2 | 166.6 | -177.9 | 35 | -38.6 | 0 | 0 | 0 | 111.7 | Q72 Q73 N128 M180 K182 T183 | Q72-P130 CarbonylContact C-O 3.58Å; Q72-P130 VanDerWaalsContact CA-O 3.31Å; Q72-P130 WeakPolarHBondContact CA-O 3.25Å; Q73-P130 HydrophobicContact CB-CG 4.41Å; Q73-P130 PolarHBondContact N-O 3.03Å; N128-P130 WeakPolarHBondContact O-CD 3.32Å; P130-M180 HydrophobicContact CB-CG 4.13Å; P130-M180 HydrophobicContact CB-SD 4.21Å; P130-K182 HydrophobicContact CG-CB 4.12Å; P130-T183 HydrophobicContact CB-CG2 3.86Å; P130-T183 HydrophobicContact CG-CG2 4.18Å | ||
| 131 | I | 98.3 | Very high | 94.5 | Very high | 16 Ų | 16 | 41.1 Ų | 41.1 | 8% | 0.082 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 129.3 | 178 | -51.2 | 178.5 | 0 | 0 | 0 | 109.1 | P70 I71 Q72 F97 M180 T183 | P70-I131 HydrophobicContact CB-CG2 3.95Å; I71-I131 CarbonylContact O-C 3.32Å; I71-I131 WeakPolarHBondContact O-CA 3.43Å; Q72-I131 HydrophobicContact CB-CG1 4.3Å; Q72-I131 HydrophobicContact CG-CG1 4.38Å; F97-I131 HydrophobicContact CE2-CB 4.43Å; F97-I131 HydrophobicContact CE2-CG2 4.2Å; F97-I131 VanDerWaalsContact CE2-O 3.29Å; F97-I131 WeakPolarHBondContact CE2-O 3.17Å; F97-I131 VanDerWaalsContact CZ-O 3.25Å; F97-I131 WeakPolarHBondContact CZ-O 3.32Å; I131-M180 HydrophobicContact CB-CE 3.96Å; I131-M180 HydrophobicContact CB-SD 4.35Å; I131-M180 PolarHBondContact N-SD 3.5Å; I131-M180 WeakPolarHBondContact O-CE 3.43Å; I131-M180 VanDerWaalsContact O-CG 3.3Å; I131-M180 WeakPolarHBondContact O-CG 3.39Å; I131-T183 VanDerWaalsContact O-CG2 3.23Å; I131-T183 WeakPolarHBondContact O-CG2 3.43Å |
| 132 | Y | 98.5 | Very high | 94.4 | Very high | 16 Ų | 16 | 43.9 Ų | 43.9 | 6% | 0.063 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 126.8 | -179.8 | -164.8 | -149.5 | 0 | 0 | 0 | 110.2 | I71 A134 Y177 F178 T183 N280 | I71-Y132 VanDerWaalsContact CG1-O 3.29Å; I71-Y132 WeakPolarHBondContact CG1-O 3.34Å; I71-Y132 PolarHBondContact N-O 2.89Å; I71-Y132 PolarHBondContact O-N 2.76Å; Y132-A134 VanDerWaalsContact C-N 3.29Å; Y132-A134 HydrophobicContact CD1-CB 3.68Å; Y132-A134 HydrophobicContact CE1-CB 3.9Å; Y132-A134 HydrophobicContact CG-CB 4.26Å; Y132-A134 PolarHBondContact O-N 2.96Å; Y132-Y177 HydrophobicContact CE1-CD1 4.09Å; Y132-Y177 AromaticContact CZ-CD1 3.9Å; Y132-F178 WeakPolarHBondContact CD2-O 3.44Å; Y132-T183 VanDerWaalsContact CD2-CB 3.48Å; Y132-T183 HydrophobicContact CD2-CG2 3.93Å; Y132-T183 VanDerWaalsContact CD2-OG1 3.27Å; Y132-T183 WeakPolarHBondContact CD2-OG1 3.5Å; Y132-T183 HydrophobicContact CG-CG2 4.08Å; Y132-N280 WeakPolarHBondContact CE2-ND2 3.24Å |
| 133 | G | 97.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 68.7 | 173 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y177 F178 | G133-Y177 CarbonylContact O-C 3.52Å; G133-Y177 WeakPolarHBondContact O-CA 3.47Å; G133-F178 PolarHBondContact N-O 3.48Å; G133-F178 PolarHBondContact O-N 3.12Å |
| 134 | A | 93.4 | Very high | 94.4 | Very high | 10 Ų | 10 | 50.6 Ų | 50.6 | 8% | 0.083 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 162.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | I71 Y132 V136 Y177 | I71-A134 HydrophobicContact CD1-CB 4.22Å; I71-A134 HydrophobicContact CG1-CB 4.47Å; Y132-A134 VanDerWaalsContact C-N 3.29Å; Y132-A134 HydrophobicContact CD1-CB 3.68Å; Y132-A134 HydrophobicContact CE1-CB 3.9Å; Y132-A134 HydrophobicContact CG-CB 4.26Å; Y132-A134 PolarHBondContact O-N 2.96Å; A134-V136 VanDerWaalsContact C-N 3.26Å; A134-V136 PolarHBondContact O-N 2.8Å; A134-Y177 HydrophobicContact CB-CD1 3.82Å; A134-Y177 HydrophobicContact CB-CE1 3.88Å |
| 135 | D | 92.2 | Very high | 94.6 | Very high | 85 Ų | 85 | 48.2 Ų | 48.2 | 46% | 0.455 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 55.8 | 37.2 | 164.7 | -47.5 | -49.5 | 0 | 0 | 0 | 113.4 | Y175 Y177 | D135-Y175 HydrophobicContact CB-CD2 4.12Å; D135-Y175 HydrophobicContact CB-CE2 4.04Å; D135-Y177 WeakPolarHBondContact OD1-CE1 3.31Å; D135-Y177 VanDerWaalsContact OD1-CZ 3.23Å; D135-Y177 PolarHBondContact OD1-OH 2.9Å |
| 136 | V | 94.5 | Very high | 94.8 | Very high | 8 Ų | 8 | 51.4 Ų | 51.4 | 5% | 0.048 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 108 | -179.9 | -175.1 | 0 | 0 | 0 | 0 | 109.4 | L65 I67 A134 G138 Y175 L176 | L65-V136 HydrophobicContact CD2-CG1 4.42Å; I67-V136 HydrophobicContact CG2-CG2 3.97Å; A134-V136 VanDerWaalsContact C-N 3.26Å; A134-V136 PolarHBondContact O-N 2.8Å; V136-G138 PolarHBondContact O-N 2.81Å; V136-Y175 WeakPolarHBondContact O-CA 3.37Å; V136-L176 HydrophobicContact CB-CB 4.24Å; V136-L176 PolarHBondContact N-O 3.33Å; V136-L176 VanDerWaalsContact N-O 3.17Å; V136-L176 PolarHBondContact O-N 2.95Å |
| 137 | N | 93.1 | Very high | 95.1 | Very high | 82 Ų | 82 | 51.4 Ų | 51.4 | 44% | 0.439 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -50.6 | 121.5 | 174.1 | -87.9 | -62.1 | 0 | 0 | 0 | 111.9 | E169 T173 Y175 | N137-E169 PolarHBondContact ND2-OE2 2.86Å; N137-T173 PolarHBondContact OD1-OG1 3.29Å; N137-Y175 WeakPolarHBondContact OD1-CE1 3.06Å |
| 138 | G | 92.9 | Very high | 95.6 | Very high | 28 Ų | 28 | 44.7 Ų | 44.7 | 29% | 0.289 | 23% | 0.232 | S | C | . | . | trans | 155.8 | 169.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | V136 P174 | V136-G138 PolarHBondContact O-N 2.81Å; G138-P174 PolarHBondContact N-O 3.23Å; G138-P174 VanDerWaalsContact N-O 3.1Å; G138-P174 CarbonylContact O-C 3.54Å; G138-P174 WeakPolarHBondContact O-CB 3.41Å; G138-P174 WeakPolarHBondContact O-CG 3.35Å; G138-P174 VanDerWaalsContact O-O 3.11Å | ||
| 139 | T | 96.4 | Very high | 95.9 | Very high | 61 Ų | 61 | 42.3 Ų | 42.3 | 37% | 0.374 | 22% | 0.219 | S | C | . | . | trans | -133.9 | 145.1 | 172.1 | -178.6 | 0 | 0 | 0 | 0 | 110.5 | Y141 E287 | T139-Y141 PolarHBondContact OG1-N 3.22Å; T139-Y141 VanDerWaalsContact OG1-N 3.16Å; T139-E287 VanDerWaalsContact CA-OE2 3.22Å; T139-E287 WeakPolarHBondContact CA-OE2 3.34Å; T139-E287 WeakPolarHBondContact CB-OE1 2.93Å; T139-E287 PolarHBondContact OG1-OE1 2.86Å; T139-E287 PolarHBondContact OG1-OE2 3.06Å; T139-E287 VanDerWaalsContact OG1-OE2 3.04Å | ||
| 140 | L | 97.5 | Very high | 95.9 | Very high | 5 Ų | 5 | 41 Ų | 41 | 3% | 0.026 | 21% | 0.21 | C | C | . | . | trans | -97.2 | -2.4 | 171.4 | -63.7 | -177.4 | 0 | 0 | 0 | 112.6 | R56 Y59 I62 L65 L176 F202 E287 | R56-L140 WeakPolarHBondContact CD-O 3.33Å; R56-L140 PolarHBondContact NH1-O 2.79Å; Y59-L140 HydrophobicContact CD1-CD1 4.3Å; Y59-L140 HydrophobicContact CE1-CB 4.39Å; Y59-L140 HydrophobicContact CE1-CD1 4.26Å; I62-L140 HydrophobicContact CG2-CD2 3.79Å; L65-L140 HydrophobicContact CD1-CD2 4.33Å; L140-L176 HydrophobicContact CD1-CD2 4.34Å; L140-L176 HydrophobicContact CD2-CD1 4.09Å; L140-L176 HydrophobicContact CG-CD1 3.97Å; L140-L176 HydrophobicContact CG-CD2 3.89Å; L140-F202 HydrophobicContact CD1-CE1 4.3Å; L140-E287 PolarHBondContact N-OE2 2.95Å | ||
| 141 | Y | 97.3 | Very high | 95.6 | Very high | 12 Ų | 12 | 42.4 Ų | 42.4 | 5% | 0.047 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -67.3 | 139.1 | 175.9 | -76.5 | -116 | 0 | 0 | 0 | 111.4 | W53 P55 T139 V145 W148 N149 I150 H201 F267 E287 | W53-Y141 AromaticContact CH2-CE1 3.95Å; W53-Y141 HydrophobicContact CH2-CE1 3.95Å; W53-Y141 AromaticContact CZ2-CE1 3.86Å; W53-Y141 HydrophobicContact CZ2-CE1 3.86Å; P55-Y141 HydrophobicContact CB-CD1 3.45Å; P55-Y141 VanDerWaalsContact CB-CD1 3.45Å; P55-Y141 HydrophobicContact CB-CD2 4.19Å; P55-Y141 HydrophobicContact CB-CE1 3.44Å; P55-Y141 VanDerWaalsContact CB-CE1 3.44Å; P55-Y141 HydrophobicContact CB-CE2 4.15Å; P55-Y141 HydrophobicContact CB-CG 3.84Å; P55-Y141 WeakPolarHBondContact O-CA 3.29Å; T139-Y141 PolarHBondContact OG1-N 3.22Å; T139-Y141 VanDerWaalsContact OG1-N 3.16Å; Y141-V145 HydrophobicContact CD1-CG1 4.25Å; Y141-W148 WeakPolarHBondContact CE1-O 3.48Å; Y141-W148 PolarHBondContact OH-O 3.37Å; Y141-N149 HydrophobicContact CD1-CB 4.06Å; Y141-N149 HydrophobicContact CE1-CB 4.48Å; Y141-I150 HydrophobicContact CE2-CB 4.34Å; Y141-I150 HydrophobicContact CE2-CD1 4.03Å; Y141-I150 HydrophobicContact CE2-CG1 4.01Å; Y141-H201 AromaticContact CD2-CE1 3.77Å; Y141-H201 AromaticContact CE2-CE1 3.56Å; Y141-H201 AromaticContact CE2-NE2 3.67Å; Y141-F267 WeakPolarHBondContact OH-CE1 3.47Å; Y141-F267 WeakPolarHBondContact OH-CZ 3.29Å; Y141-E287 WeakPolarHBondContact CD2-OE1 3.42Å |
| 142 | E | 96.6 | Very high | 95.3 | Very high | 59 Ų | 59 | 45.8 Ų | 45.8 | 28% | 0.276 | 24% | 0.238 | S | C | . | . | trans | -72.1 | 145.1 | 171.1 | -74.9 | -175.7 | -133.4 | 0 | 0 | 111.8 | P55 R56 A57 H144 V145 | P55-E142 PolarHBondContact O-N 2.95Å; R56-E142 WeakPolarHBondContact CA-OE1 3.19Å; R56-E142 HydrophobicContact CG-CG 4.13Å; A57-E142 PolarHBondContact N-OE1 3.15Å; E142-H144 PolarHBondContact O-N 3.5Å; E142-H144 IonicContact OE2-CE1 2.79Å; E142-H144 PolarHBondContact OE2-CE1 3.07Å; E142-H144 IonicContact OE2-ND1 2.66Å; E142-H144 PolarHBondContact OE2-ND1 2.96Å; E142-V145 HydrophobicContact CB-CG2 4.25Å; E142-V145 PolarHBondContact O-N 2.79Å | ||
| 143 | K | 94.1 | Very high | 94.9 | Very high | 206 Ų | 206 | 45.6 Ų | 45.6 | 90% | 0.896 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -20.2 | -175.1 | -64.7 | -176.9 | 179.5 | 179.3 | 0 | 114.4 | R152 | K143-R152 PolarHBondContact O-NH2 3.43Š|
| 144 | H | 95.3 | Very high | 94.6 | Very high | 135 Ų | 135 | 52.2 Ų | 52.2 | 63% | 0.625 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | -16.3 | -178.5 | 77.6 | -99.4 | 0 | 0 | 0 | 113.6 | E142 D146 | E142-H144 PolarHBondContact O-N 3.5Å; E142-H144 IonicContact OE2-CE1 2.79Å; E142-H144 PolarHBondContact OE2-CE1 3.07Å; E142-H144 IonicContact OE2-ND1 2.66Å; E142-H144 PolarHBondContact OE2-ND1 2.96Å; H144-D146 PolarHBondContact O-N 3.46Å |
| 145 | V | 96.8 | Very high | 94.6 | Very high | 6 Ų | 6 | 52.3 Ų | 52.3 | 4% | 0.036 | 26% | 0.262 | C | S | . | . | trans | -79.8 | 117 | -176.2 | 179.9 | 0 | 0 | 0 | 0 | 109.6 | W53 Y141 E142 N149 R152 | W53-V145 HydrophobicContact CZ2-CG1 4.11Å; Y141-V145 HydrophobicContact CD1-CG1 4.25Å; E142-V145 HydrophobicContact CB-CG2 4.25Å; E142-V145 PolarHBondContact O-N 2.79Å; V145-N149 WeakPolarHBondContact O-CB 3.38Å; V145-N149 PolarHBondContact O-ND2 2.69Å; V145-R152 PolarHBondContact O-NH2 3.11Å | ||
| 146 | D | 95.4 | Very high | 94.4 | Very high | 72 Ų | 72 | 49.2 Ų | 49.2 | 39% | 0.385 | 25% | 0.245 | S | C | . | . | trans | -101 | -30.9 | -175.3 | -110.6 | 28.1 | 0 | 0 | 0 | 112.2 | H144 R152 R154 | H144-D146 PolarHBondContact O-N 3.46Å; D146-R152 IonicContact OD1-CZ 2.82Å; D146-R152 IonicContact OD1-NH1 3.43Å; D146-R152 PolarHBondContact OD1-NH1 2.66Å; D146-R152 IonicContact OD1-NH2 2.65Å; D146-R152 PolarHBondContact OD1-NH2 3.27Å; D146-R154 IonicContact OD1-CZ 2.89Å; D146-R154 IonicContact OD1-NH2 2.81Å; D146-R154 PolarHBondContact OD1-NH2 3.02Å; D146-R154 IonicContact OD2-CZ 2.86Å; D146-R154 IonicContact OD2-NH1 3Å; D146-R154 PolarHBondContact OD2-NH1 2.85Å; D146-R154 IonicContact OD2-NH2 3.33Å; D146-R154 PolarHBondContact OD2-NH2 3.43Å | ||
| 147 | E | 97.3 | Very high | 94.1 | Very high | 40 Ų | 40 | 49.3 Ų | 49.3 | 19% | 0.187 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | 127.9 | 178 | -58.8 | 84.5 | 172 | 0 | 0 | 111.9 | M21 F24 R25 N149 | M21-E147 HydrophobicContact CE-CG 3.86Å; M21-E147 WeakPolarHBondContact CE-OE1 3.4Å; F24-E147 HydrophobicContact CD1-CB 3.96Å; F24-E147 HydrophobicContact CE1-CB 3.9Å; R25-E147 HydrophobicContact CB-CG 4.36Å; R25-E147 HydrophobicContact CG-CG 4.14Å; E147-N149 PolarHBondContact O-N 2.89Å |
| 148 | W | 97.5 | Very high | 93.4 | Very high | 5 Ų | 5 | 47.1 Ų | 47.1 | 2% | 0.019 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.9 | 23.6 | 175.7 | -68.7 | 58.8 | 0 | 0 | 0 | 114.9 | F24 F27 Y30 V47 Y141 I150 I197 F267 I269 | F24-W148 AromaticContact CD1-CD1 3.83Å; F24-W148 AromaticContact CD2-CD1 3.7Å; F24-W148 HydrophobicContact CD2-CD2 4.09Å; F24-W148 AromaticContact CD2-CE2 3.64Å; F24-W148 HydrophobicContact CD2-CG 4.17Å; F24-W148 HydrophobicContact CD2-CZ2 4.19Å; F24-W148 AromaticContact CD2-NE1 3.38Å; F24-W148 HydrophobicContact CE1-CB 4.09Å; F24-W148 AromaticContact CE1-CD1 3.59Å; F24-W148 AromaticContact CE1-CG 3.88Å; F24-W148 HydrophobicContact CE1-CG 3.88Å; F24-W148 HydrophobicContact CE2-CB 4.26Å; F24-W148 AromaticContact CE2-CD1 3.47Å; F24-W148 VanDerWaalsContact CE2-CD1 3.47Å; F24-W148 AromaticContact CE2-CD2 3.42Å; F24-W148 HydrophobicContact CE2-CD2 3.42Å; F24-W148 VanDerWaalsContact CE2-CD2 3.42Å; F24-W148 AromaticContact CE2-CE2 3.48Å; F24-W148 VanDerWaalsContact CE2-CE2 3.48Å; F24-W148 HydrophobicContact CE2-CE3 4.04Å; F24-W148 AromaticContact CE2-CG 3.48Å; F24-W148 HydrophobicContact CE2-CG 3.48Å; F24-W148 VanDerWaalsContact CE2-CG 3.48Å; F24-W148 HydrophobicContact CE2-CZ2 4.18Å; F24-W148 AromaticContact CE2-NE1 3.48Å; F24-W148 AromaticContact CG-CD1 3.88Å; F24-W148 AromaticContact CG-NE1 3.77Å; F24-W148 HydrophobicContact CZ-CB 3.62Å; F24-W148 AromaticContact CZ-CD1 3.4Å; F24-W148 VanDerWaalsContact CZ-CD1 3.4Å; F24-W148 AromaticContact CZ-CD2 3.76Å; F24-W148 HydrophobicContact CZ-CD2 3.76Å; F24-W148 HydrophobicContact CZ-CE3 4.47Å; F24-W148 AromaticContact CZ-CG 3.31Å; F24-W148 HydrophobicContact CZ-CG 3.31Å; F24-W148 AromaticContact CZ-NE1 3.94Å; F24-W148 PolarHBondContact O-NE1 2.89Å; F27-W148 AromaticContact CD2-CD2 3.66Å; F27-W148 HydrophobicContact CD2-CD2 3.66Å; F27-W148 AromaticContact CD2-CE2 3.71Å; F27-W148 AromaticContact CD2-CE3 3.87Å; F27-W148 HydrophobicContact CD2-CE3 3.87Å; F27-W148 HydrophobicContact CD2-CG 4.2Å; F27-W148 HydrophobicContact CD2-CH2 4.07Å; F27-W148 AromaticContact CD2-CZ2 3.92Å; F27-W148 HydrophobicContact CD2-CZ2 3.92Å; F27-W148 HydrophobicContact CD2-CZ3 4.06Å; F27-W148 HydrophobicContact CE2-CD2 4.31Å; F27-W148 HydrophobicContact CE2-CE3 4.04Å; F27-W148 HydrophobicContact CE2-CH2 4.2Å; F27-W148 AromaticContact CE2-CZ3 3.98Å; F27-W148 HydrophobicContact CE2-CZ3 3.98Å; Y30-W148 HydrophobicContact CD1-CH2 4.14Å; Y30-W148 AromaticContact CD1-CZ2 3.78Å; Y30-W148 HydrophobicContact CD1-CZ2 3.78Å; Y30-W148 HydrophobicContact CG-CZ2 4.23Å; V47-W148 HydrophobicContact CB-CH2 4.09Å; V47-W148 HydrophobicContact CB-CZ3 4.19Å; V47-W148 HydrophobicContact CG1-CH2 3.87Å; V47-W148 HydrophobicContact CG1-CZ2 4.4Å; V47-W148 HydrophobicContact CG1-CZ3 4.27Å; V47-W148 HydrophobicContact CG2-CH2 3.98Å; V47-W148 HydrophobicContact CG2-CZ3 4.34Å; Y141-W148 WeakPolarHBondContact CE1-O 3.48Å; Y141-W148 PolarHBondContact OH-O 3.37Å; W148-I150 PolarHBondContact O-N 3.33Å; W148-I150 VanDerWaalsContact O-N 3.08Å; W148-I197 HydrophobicContact CE3-CD1 3.81Å; W148-I197 HydrophobicContact CZ3-CD1 4.25Å; W148-F267 HydrophobicContact CB-CE1 4.12Å; W148-F267 HydrophobicContact CB-CE2 4.37Å; W148-F267 HydrophobicContact CB-CZ 3.67Å; W148-F267 HydrophobicContact CD2-CZ 4.44Å; W148-F267 HydrophobicContact CE3-CB 4.49Å; W148-F267 AromaticContact CE3-CD1 3.83Å; W148-F267 HydrophobicContact CE3-CD1 3.83Å; W148-F267 AromaticContact CE3-CD2 3.97Å; W148-F267 HydrophobicContact CE3-CD2 3.97Å; W148-F267 AromaticContact CE3-CE1 3.88Å; W148-F267 HydrophobicContact CE3-CE1 3.88Å; W148-F267 HydrophobicContact CE3-CE2 4.06Å; W148-F267 AromaticContact CE3-CG 3.85Å; W148-F267 HydrophobicContact CE3-CG 3.85Å; W148-F267 AromaticContact CE3-CZ 3.99Å; W148-F267 HydrophobicContact CE3-CZ 3.99Å; W148-F267 HydrophobicContact CG-CZ 4.36Å; W148-F267 HydrophobicContact CZ3-CB 4.25Å; W148-F267 HydrophobicContact CZ3-CD1 4.34Å; W148-F267 HydrophobicContact CZ3-CD2 4.38Å; W148-F267 HydrophobicContact CZ3-CG 4.09Å; W148-I269 HydrophobicContact CZ3-CD1 4.16Å |
| 149 | N | 96.7 | Very high | 92.2 | Very high | 8 Ų | 8 | 48.4 Ų | 48.4 | 4% | 0.043 | 23% | 0.234 | C | C | . | . | trans | -67.5 | 108 | 178.3 | -171.8 | -43.7 | 0 | 0 | 0 | 110.3 | Y141 V145 E147 G151 R152 L153 | Y141-N149 HydrophobicContact CD1-CB 4.06Å; Y141-N149 HydrophobicContact CE1-CB 4.48Å; V145-N149 WeakPolarHBondContact O-CB 3.38Å; V145-N149 PolarHBondContact O-ND2 2.69Å; E147-N149 PolarHBondContact O-N 2.89Å; N149-G151 PolarHBondContact O-N 2.94Å; N149-G151 PolarHBondContact OD1-N 2.82Å; N149-G151 VanDerWaalsContact OD1-N 3.15Å; N149-R152 HydrophobicContact CB-CG 3.92Å; N149-R152 PolarHBondContact ND2-NE 2.81Å; N149-R152 CarbonylContact O-C 3.59Å; N149-R152 VanDerWaalsContact O-C 3.25Å; N149-R152 PolarHBondContact O-N 2.98Å; N149-L153 PolarHBondContact O-N 3.38Å | ||
| 150 | I | 95.8 | Very high | 90.8 | Very high | 2 Ų | 2 | 46.3 Ų | 46.3 | 1% | 0.01 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -59.8 | -33.9 | -173.8 | -62 | -179 | 0 | 0 | 0 | 111.3 | Y141 W148 R152 P174 I197 F267 E287 T289 | Y141-I150 HydrophobicContact CE2-CB 4.34Å; Y141-I150 HydrophobicContact CE2-CD1 4.03Å; Y141-I150 HydrophobicContact CE2-CG1 4.01Å; W148-I150 PolarHBondContact O-N 3.33Å; W148-I150 VanDerWaalsContact O-N 3.08Å; I150-R152 PolarHBondContact O-N 2.86Å; I150-P174 HydrophobicContact CG2-CB 4.15Å; I150-I197 HydrophobicContact CD1-CG1 4.4Å; I150-I197 HydrophobicContact CG1-CD1 4.28Å; I150-I197 HydrophobicContact CG1-CG1 4.47Å; I150-I197 HydrophobicContact CG1-CG2 4.27Å; I150-I197 HydrophobicContact CG2-CG2 4.26Å; I150-F267 HydrophobicContact CD1-CE1 4.5Å; I150-E287 HydrophobicContact CB-CG 4.35Å; I150-E287 HydrophobicContact CD1-CB 4.16Å; I150-E287 HydrophobicContact CD1-CG 4.13Å; I150-E287 WeakPolarHBondContact CD1-O 3.29Å; I150-E287 HydrophobicContact CG2-CG 4.2Å; I150-T289 HydrophobicContact CG2-CG2 3.57Å; I150-T289 WeakPolarHBondContact O-CG2 3.36Å |
| 151 | G | 91.5 | Very high | 89.5 | Confident | 35 Ų | 35 | 49.3 Ų | 49.3 | 36% | 0.361 | 24% | 0.235 | S | C | . | . | G | 310 helix | trans | -70.5 | -3.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | N149 | N149-G151 PolarHBondContact O-N 2.94Å; N149-G151 PolarHBondContact OD1-N 2.82Å; N149-G151 VanDerWaalsContact OD1-N 3.15Å |
| 152 | R | 90.5 | Very high | 88.3 | Confident | 87 Ų | 87 | 56.7 Ų | 56.7 | 33% | 0.328 | 27% | 0.267 | S | S | . | . | G | 310 helix | trans | -164.3 | 62.7 | -177.3 | 53 | -167.6 | -174.9 | 122 | 9 | 113.2 | K143 V145 D146 N149 I150 R154 | K143-R152 PolarHBondContact O-NH2 3.43Å; V145-R152 PolarHBondContact O-NH2 3.11Å; D146-R152 IonicContact OD1-CZ 2.82Å; D146-R152 IonicContact OD1-NH1 3.43Å; D146-R152 PolarHBondContact OD1-NH1 2.66Å; D146-R152 IonicContact OD1-NH2 2.65Å; D146-R152 PolarHBondContact OD1-NH2 3.27Å; N149-R152 HydrophobicContact CB-CG 3.92Å; N149-R152 PolarHBondContact ND2-NE 2.81Å; N149-R152 CarbonylContact O-C 3.59Å; N149-R152 VanDerWaalsContact O-C 3.25Å; N149-R152 PolarHBondContact O-N 2.98Å; I150-R152 PolarHBondContact O-N 2.86Å; R152-R154 VanDerWaalsContact C-N 3.33Å; R152-R154 PolarHBondContact O-N 3.26Å |
| 153 | L | 92 | Very high | 86.9 | Confident | 12 Ų | 12 | 59.1 Ų | 59.1 | 6% | 0.063 | 28% | 0.279 | C | S | . | . | trans | -70.4 | -14.1 | -173.9 | -65.8 | 167.7 | 0 | 0 | 0 | 115.9 | F27 N149 T155 I197 T289 F291 | F27-L153 HydrophobicContact CD1-CB 4.15Å; F27-L153 HydrophobicContact CD1-CD2 4.09Å; F27-L153 HydrophobicContact CE1-CB 4.09Å; F27-L153 HydrophobicContact CE1-CD1 4.33Å; F27-L153 HydrophobicContact CE1-CD2 3.99Å; F27-L153 HydrophobicContact CE1-CG 4.37Å; F27-L153 HydrophobicContact CE2-CD2 4.44Å; F27-L153 HydrophobicContact CG-CD2 4.36Å; F27-L153 HydrophobicContact CZ-CD2 4.17Å; N149-L153 PolarHBondContact O-N 3.38Å; L153-T155 HydrophobicContact CB-CG2 3.79Å; L153-I197 HydrophobicContact CD1-CG2 3.64Å; L153-I197 HydrophobicContact CD2-CD1 4.22Å; L153-I197 HydrophobicContact CD2-CG2 4.43Å; L153-T289 HydrophobicContact CD1-CG2 3.68Å; L153-F291 HydrophobicContact CD1-CB 3.94Å; L153-F291 HydrophobicContact CD1-CD1 4.33Å; L153-F291 HydrophobicContact CD1-CG 4.39Å | ||
| 154 | R | 90.2 | Very high | 85.6 | Confident | 138 Ų | 138 | 52.1 Ų | 52.1 | 52% | 0.521 | 26% | 0.255 | S | S | . | . | trans | 63.2 | 42.9 | 175 | -54.4 | 165 | -157.7 | -163 | -2.8 | 113 | D146 R152 D158 | D146-R154 IonicContact OD1-CZ 2.89Å; D146-R154 IonicContact OD1-NH2 2.81Å; D146-R154 PolarHBondContact OD1-NH2 3.02Å; D146-R154 IonicContact OD2-CZ 2.86Å; D146-R154 IonicContact OD2-NH1 3Å; D146-R154 PolarHBondContact OD2-NH1 2.85Å; D146-R154 IonicContact OD2-NH2 3.33Å; D146-R154 PolarHBondContact OD2-NH2 3.43Å; R152-R154 VanDerWaalsContact C-N 3.33Å; R152-R154 PolarHBondContact O-N 3.26Å; R154-D158 WeakPolarHBondContact CA-OD2 3.35Å; R154-D158 PolarHBondContact N-OD2 2.88Å | ||
| 155 | T | 92.1 | Very high | 84.3 | Confident | 13 Ų | 13 | 48.8 Ų | 48.8 | 8% | 0.08 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -99.4 | -173.5 | -178.1 | 76.2 | 0 | 0 | 0 | 0 | 112.8 | F27 L153 L157 D158 F291 A292 | F27-T155 HydrophobicContact CD1-CG2 4.14Å; F27-T155 HydrophobicContact CE1-CG2 3.87Å; L153-T155 HydrophobicContact CB-CG2 3.79Å; T155-L157 PolarHBondContact O-N 2.9Å; T155-L157 PolarHBondContact OG1-N 2.68Å; T155-D158 WeakPolarHBondContact CA-OD1 3.22Å; T155-D158 WeakPolarHBondContact CB-OD1 3.46Å; T155-D158 VanDerWaalsContact N-CG 3.27Å; T155-D158 PolarHBondContact N-OD1 2.67Å; T155-D158 PolarHBondContact N-OD2 2.91Å; T155-D158 PolarHBondContact OG1-OD1 2.77Å; T155-F291 HydrophobicContact CG2-CB 3.92Å; T155-F291 HydrophobicContact CG2-CD2 4.24Å; T155-F291 HydrophobicContact CG2-CG 4.44Å; T155-A292 WeakPolarHBondContact CB-O 3.33Å |
| 156 | I | 89.6 | Confident | 82.9 | Confident | 20 Ų | 20 | 53.1 Ų | 53.1 | 10% | 0.103 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -74.8 | -12.8 | 174.1 | 71.8 | 168.1 | 0 | 0 | 0 | 113.2 | L159 A292 T293 I297 F320 F324 | I156-L159 HydrophobicContact CB-CD1 4.2Å; I156-L159 HydrophobicContact CG2-CD1 4.34Å; I156-L159 WeakPolarHBondContact O-CB 3.25Å; I156-L159 PolarHBondContact O-N 2.63Å; I156-A292 HydrophobicContact CD1-CB 4.25Å; I156-A292 HydrophobicContact CG1-CB 3.63Å; I156-T293 WeakPolarHBondContact CD1-O 3.39Å; I156-I297 HydrophobicContact CD1-CD1 3.92Å; I156-I297 HydrophobicContact CD1-CG1 4.07Å; I156-F320 HydrophobicContact CD1-CD1 4.04Å; I156-F320 HydrophobicContact CD1-CE1 4.09Å; I156-F320 HydrophobicContact CG1-CD1 4.5Å; I156-F320 HydrophobicContact CG1-CE1 4.08Å; I156-F320 WeakPolarHBondContact O-CE1 2.96Å; I156-F324 HydrophobicContact CB-CE2 4.16Å; I156-F324 HydrophobicContact CB-CZ 4Å; I156-F324 HydrophobicContact CD1-CD2 4.43Å; I156-F324 HydrophobicContact CD1-CE2 4.08Å; I156-F324 HydrophobicContact CD1-CZ 4.47Å; I156-F324 HydrophobicContact CG2-CE1 4.3Å; I156-F324 HydrophobicContact CG2-CE2 4.35Å; I156-F324 HydrophobicContact CG2-CZ 3.75Å |
| 157 | L | 86.9 | Confident | 81.7 | Confident | 10 Ų | 10 | 53.4 Ų | 53.4 | 5% | 0.052 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -72.5 | -40.5 | 176 | -170 | 58.3 | 0 | 0 | 0 | 110.9 | T155 L159 V160 V171 L194 A292 I315 F320 | T155-L157 PolarHBondContact O-N 2.9Å; T155-L157 PolarHBondContact OG1-N 2.68Å; L157-L159 PolarHBondContact O-N 3.07Å; L157-V160 WeakPolarHBondContact O-CB 3.25Å; L157-V160 PolarHBondContact O-N 2.83Å; L157-V171 HydrophobicContact CD2-CG1 4.43Å; L157-V171 VanDerWaalsContact CD2-O 3.31Å; L157-V171 WeakPolarHBondContact CD2-O 3.18Å; L157-L194 HydrophobicContact CD2-CD1 4.31Å; L157-L194 HydrophobicContact CD2-CD2 4.37Å; L157-A292 HydrophobicContact CB-CB 4.12Å; L157-I315 HydrophobicContact CD1-CD1 4.21Å; L157-F320 HydrophobicContact CD1-CZ 4.17Å |
| 158 | D | 78.1 | Confident | 80.3 | Confident | 35 Ų | 35 | 53.4 Ų | 53.4 | 19% | 0.187 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -55.9 | -23.1 | 173.6 | -47 | 48 | 0 | 0 | 0 | 113.1 | R154 T155 K162 | R154-D158 WeakPolarHBondContact CA-OD2 3.35Å; R154-D158 PolarHBondContact N-OD2 2.88Å; T155-D158 WeakPolarHBondContact CA-OD1 3.22Å; T155-D158 WeakPolarHBondContact CB-OD1 3.46Å; T155-D158 VanDerWaalsContact N-CG 3.27Å; T155-D158 PolarHBondContact N-OD1 2.67Å; T155-D158 PolarHBondContact N-OD2 2.91Å; T155-D158 PolarHBondContact OG1-OD1 2.77Å; D158-K162 WeakPolarHBondContact O-CG 3.49Å; D158-K162 PolarHBondContact O-N 2.89Å |
| 159 | L | 69 | Low | 78.7 | Confident | 55 Ų | 55 | 59 Ų | 59 | 29% | 0.288 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -73.8 | -26.9 | 175.8 | -61.1 | 172.2 | 0 | 0 | 0 | 112.2 | I156 L157 K162 E163 F324 | I156-L159 HydrophobicContact CB-CD1 4.2Å; I156-L159 HydrophobicContact CG2-CD1 4.34Å; I156-L159 WeakPolarHBondContact O-CB 3.25Å; I156-L159 PolarHBondContact O-N 2.63Å; L157-L159 PolarHBondContact O-N 3.07Å; L159-K162 PolarHBondContact O-N 3.45Å; L159-E163 VanDerWaalsContact O-CB 3.28Å; L159-E163 WeakPolarHBondContact O-CB 3.42Å; L159-E163 WeakPolarHBondContact O-CG 3.49Å; L159-E163 PolarHBondContact O-N 3.15Å; L159-F324 HydrophobicContact CD1-CZ 3.97Å |
| 160 | V | 67.4 | Low | 77 | Confident | 17 Ų | 17 | 59 Ų | 59 | 10% | 0.103 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -74 | -41.4 | 179.1 | 176.3 | 0 | 0 | 0 | 0 | 111.4 | L157 K162 E163 S164 V319 F320 | L157-V160 WeakPolarHBondContact O-CB 3.25Å; L157-V160 PolarHBondContact O-N 2.83Å; V160-K162 VanDerWaalsContact C-N 3.28Å; V160-K162 PolarHBondContact O-N 3.05Å; V160-E163 PolarHBondContact O-N 3.22Å; V160-S164 WeakPolarHBondContact CG1-OG 3.17Å; V160-S164 WeakPolarHBondContact O-CA 3.06Å; V160-S164 WeakPolarHBondContact O-CB 3.27Å; V160-S164 PolarHBondContact O-N 2.97Å; V160-S164 PolarHBondContact O-OG 2.99Å; V160-V319 HydrophobicContact CG1-CG1 4.5Å; V160-V319 HydrophobicContact CG2-CG1 3.77Å; V160-F320 HydrophobicContact CB-CZ 4.41Å; V160-F320 HydrophobicContact CG2-CD2 4.29Å; V160-F320 HydrophobicContact CG2-CE1 3.76Å; V160-F320 HydrophobicContact CG2-CE2 3.46Å; V160-F320 VanDerWaalsContact CG2-CE2 3.46Å; V160-F320 HydrophobicContact CG2-CZ 3.15Å |
| 161 | E | 70.4 | Confident | 75.8 | Confident | 68 Ų | 68 | 59.1 Ų | 59.1 | 32% | 0.318 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -57.9 | -44.9 | 172.3 | -178.6 | 166.3 | -118.5 | 0 | 0 | 110.5 | G165 T167 N172 | E161-G165 VanDerWaalsContact O-CA 3.27Å; E161-G165 WeakPolarHBondContact O-CA 3.4Å; E161-G165 PolarHBondContact O-N 2.84Å; E161-T167 WeakPolarHBondContact OE1-CB 3.34Å; E161-T167 WeakPolarHBondContact OE1-CG2 3.5Å; E161-T167 PolarHBondContact OE1-OG1 2.79Å; E161-N172 PolarHBondContact OE1-ND2 2.81Å; E161-N172 PolarHBondContact OE2-ND2 3.42Å |
| 162 | K | 70.9 | Confident | 75 | Confident | 167 Ų | 167 | 59 Ų | 59 | 73% | 0.726 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -69.5 | -33.6 | 179 | -69.5 | 173.3 | -176.9 | 171.3 | 0 | 114.8 | D158 L159 V160 | D158-K162 WeakPolarHBondContact O-CG 3.49Å; D158-K162 PolarHBondContact O-N 2.89Å; L159-K162 PolarHBondContact O-N 3.45Å; V160-K162 VanDerWaalsContact C-N 3.28Å; V160-K162 PolarHBondContact O-N 3.05Å |
| 163 | E | 67.7 | Low | 74.7 | Confident | 111 Ų | 111 | 56.2 Ų | 56.2 | 52% | 0.519 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -96 | -16.7 | -177.2 | -69.9 | -177.3 | 164.9 | 0 | 0 | 114.2 | L159 V160 K323 | L159-E163 VanDerWaalsContact O-CB 3.28Å; L159-E163 WeakPolarHBondContact O-CB 3.42Å; L159-E163 WeakPolarHBondContact O-CG 3.49Å; L159-E163 PolarHBondContact O-N 3.15Å; V160-E163 PolarHBondContact O-N 3.22Å; E163-K323 IonicContact OE1-NZ 2.82Å; E163-K323 PolarHBondContact OE1-NZ 2.77Å; E163-K323 IonicContact OE2-NZ 3.41Å; E163-K323 PolarHBondContact OE2-NZ 3.5Å; E163-K323 VanDerWaalsContact OE2-NZ 3.16Å |
| 164 | S | 65.9 | Low | 74.7 | Confident | 58 Ų | 58 | 56.5 Ų | 56.5 | 41% | 0.406 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -121.9 | -15.3 | -179.2 | 73.4 | 0 | 0 | 0 | 0 | 115.2 | V160 I166 | V160-S164 WeakPolarHBondContact CG1-OG 3.17Å; V160-S164 WeakPolarHBondContact O-CA 3.06Å; V160-S164 WeakPolarHBondContact O-CB 3.27Å; V160-S164 PolarHBondContact O-N 2.97Å; V160-S164 PolarHBondContact O-OG 2.99Å; S164-I166 PolarHBondContact O-N 3.28Å |
| 165 | G | 68.1 | Low | 74.9 | Confident | 65 Ų | 65 | 51.9 Ų | 51.9 | 67% | 0.67 | 28% | 0.283 | S | S | * | . | trans | 70.8 | 13.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | E161 | E161-G165 VanDerWaalsContact O-CA 3.27Å; E161-G165 WeakPolarHBondContact O-CA 3.4Å; E161-G165 PolarHBondContact O-N 2.84Å | ||
| 166 | I | 68.8 | Low | 75.1 | Confident | 98 Ų | 98 | 51.3 Ų | 51.3 | 50% | 0.503 | 28% | 0.28 | S | S | . | . | trans | -100.6 | 103.7 | -178.5 | -53.3 | 175.8 | 0 | 0 | 0 | 109.7 | S164 I168 | S164-I166 PolarHBondContact O-N 3.28Å; I166-I168 HydrophobicContact CG2-CD1 4.39Å; I166-I168 HydrophobicContact CG2-CG1 3.95Å | ||
| 167 | T | 68.5 | Low | 75.6 | Confident | 78 Ų | 78 | 52 Ų | 52 | 48% | 0.479 | 28% | 0.281 | S | S | . | . | trans | -79.5 | 142.8 | 162.7 | -51.3 | 0 | 0 | 0 | 0 | 109.4 | E161 T173 | E161-T167 WeakPolarHBondContact OE1-CB 3.34Å; E161-T167 WeakPolarHBondContact OE1-CG2 3.5Å; E161-T167 PolarHBondContact OE1-OG1 2.79Å; T167-T173 HydrophobicContact CG2-CG2 3.7Å | ||
| 168 | I | 68.9 | Low | 76.1 | Confident | 40 Ų | 40 | 51.6 Ų | 51.6 | 21% | 0.205 | 28% | 0.279 | C | S | . | . | trans | -133.3 | 105.7 | 179.1 | -53.9 | 178.4 | 0 | 0 | 0 | 108.1 | I166 G170 V171 N172 V313 I315 | I166-I168 HydrophobicContact CG2-CD1 4.39Å; I166-I168 HydrophobicContact CG2-CG1 3.95Å; I168-G170 PolarHBondContact O-N 3.22Å; I168-V171 HydrophobicContact CB-CB 4.05Å; I168-V171 HydrophobicContact CG2-CB 3.74Å; I168-V171 HydrophobicContact CG2-CG1 4.44Å; I168-V171 HydrophobicContact CG2-CG2 3.67Å; I168-V171 PolarHBondContact O-N 2.66Å; I168-N172 PolarHBondContact N-OD1 3.19Å; I168-N172 PolarHBondContact O-N 3.1Å; I168-N172 VanDerWaalsContact O-N 3.09Å; I168-N172 PolarHBondContact O-OD1 2.77Å; I168-N172 VanDerWaalsContact O-OD1 3.07Å; I168-V313 HydrophobicContact CG2-CG1 4.21Å; I168-V313 HydrophobicContact CG2-CG2 4.2Å; I168-I315 HydrophobicContact CD1-CG1 3.89Å | ||
| 169 | E | 64.8 | Low | 77.1 | Confident | 121 Ų | 121 | 49.9 Ų | 49.9 | 57% | 0.565 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | 132.5 | -175.5 | -64.3 | -176.8 | -158.6 | 0 | 0 | 112.4 | N137 V171 T173 Y175 | N137-E169 PolarHBondContact ND2-OE2 2.86Å; E169-V171 PolarHBondContact O-N 3.05Å; E169-T173 WeakPolarHBondContact CA-OG1 3.43Å; E169-Y175 HydrophobicContact CB-CE1 4.48Å; E169-Y175 PolarHBondContact O-OH 3.38Å |
| 170 | G | 59.9 | Low | 78.5 | Confident | 8 Ų | 8 | 47.3 Ų | 47.3 | 8% | 0.082 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 81 | -20.9 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | I168 T173 Y175 T289 | I168-G170 PolarHBondContact O-N 3.22Å; G170-T173 CarbonylContact C-O 3.55Å; G170-T173 VanDerWaalsContact CA-O 3.31Å; G170-T173 WeakPolarHBondContact CA-O 3.4Å; G170-T173 PolarHBondContact N-OG1 2.94Å; G170-Y175 VanDerWaalsContact CA-CD2 3.44Å; G170-Y175 VanDerWaalsContact CA-CZ 3.48Å; G170-T289 PolarHBondContact O-OG1 3.12Å |
| 171 | V | 70.9 | Confident | 80 | Confident | 5 Ų | 5 | 47.5 Ų | 47.5 | 3% | 0.03 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | -36.7 | -172.9 | -178.5 | 0 | 0 | 0 | 0 | 111.4 | L157 I168 E169 L194 N290 V313 I315 | L157-V171 HydrophobicContact CD2-CG1 4.43Å; L157-V171 VanDerWaalsContact CD2-O 3.31Å; L157-V171 WeakPolarHBondContact CD2-O 3.18Å; I168-V171 HydrophobicContact CB-CB 4.05Å; I168-V171 HydrophobicContact CG2-CB 3.74Å; I168-V171 HydrophobicContact CG2-CG1 4.44Å; I168-V171 HydrophobicContact CG2-CG2 3.67Å; I168-V171 PolarHBondContact O-N 2.66Å; E169-V171 PolarHBondContact O-N 3.05Å; V171-L194 HydrophobicContact CG1-CD1 3.71Å; V171-N290 HydrophobicContact CG1-CB 4.2Å; V171-N290 WeakPolarHBondContact O-CB 3.45Å; V171-V313 HydrophobicContact CG2-CG1 4.02Å; V171-V313 HydrophobicContact CG2-CG2 3.89Å; V171-I315 HydrophobicContact CG1-CD1 4.06Å |
| 172 | N | 75.1 | Confident | 81.3 | Confident | 34 Ų | 34 | 44.8 Ų | 44.8 | 18% | 0.182 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -125 | 3.2 | 164.4 | 80 | -61.6 | 0 | 0 | 0 | 113.3 | E161 I168 | E161-N172 PolarHBondContact OE1-ND2 2.81Å; E161-N172 PolarHBondContact OE2-ND2 3.42Å; I168-N172 PolarHBondContact N-OD1 3.19Å; I168-N172 PolarHBondContact O-N 3.1Å; I168-N172 VanDerWaalsContact O-N 3.09Å; I168-N172 PolarHBondContact O-OD1 2.77Å; I168-N172 VanDerWaalsContact O-OD1 3.07Å |
| 173 | T | 83.4 | Confident | 82.6 | Confident | 28 Ų | 28 | 36.9 Ų | 36.9 | 17% | 0.172 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -108.8 | 150.6 | 166.7 | 73.3 | 0 | 0 | 0 | 0 | 110.1 | N137 T167 E169 G170 T289 | N137-T173 PolarHBondContact OD1-OG1 3.29Å; T167-T173 HydrophobicContact CG2-CG2 3.7Å; E169-T173 WeakPolarHBondContact CA-OG1 3.43Å; G170-T173 CarbonylContact C-O 3.55Å; G170-T173 VanDerWaalsContact CA-O 3.31Å; G170-T173 WeakPolarHBondContact CA-O 3.4Å; G170-T173 PolarHBondContact N-OG1 2.94Å; T173-T289 WeakPolarHBondContact O-CB 3.46Å; T173-T289 PolarHBondContact O-OG1 3.23Å |
| 174 | P | 91.4 | Very high | 84 | Confident | 17 Ų | 17 | 31.9 Ų | 31.9 | 11% | 0.11 | 19% | 0.185 | C | C | . | . | trans | -76.9 | 139 | 177.1 | 29.7 | -32.3 | 0 | 0 | 0 | 112.1 | G138 I150 E287 | G138-P174 PolarHBondContact N-O 3.23Å; G138-P174 VanDerWaalsContact N-O 3.1Å; G138-P174 CarbonylContact O-C 3.54Å; G138-P174 WeakPolarHBondContact O-CB 3.41Å; G138-P174 WeakPolarHBondContact O-CG 3.35Å; G138-P174 VanDerWaalsContact O-O 3.11Å; I150-P174 HydrophobicContact CG2-CB 4.15Å; P174-E287 HydrophobicContact CB-CG 4.06Å; P174-E287 WeakPolarHBondContact CB-OE1 3.32Å | ||
| 175 | Y | 94.8 | Very high | 85.6 | Confident | 41 Ų | 41 | 30.4 Ų | 30.4 | 16% | 0.161 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 136.7 | 169.1 | -79.4 | -25.8 | 0 | 0 | 0 | 111.3 | D135 V136 N137 E169 G170 Y177 E287 S288 | D135-Y175 HydrophobicContact CB-CD2 4.12Å; D135-Y175 HydrophobicContact CB-CE2 4.04Å; V136-Y175 WeakPolarHBondContact O-CA 3.37Å; N137-Y175 WeakPolarHBondContact OD1-CE1 3.06Å; E169-Y175 HydrophobicContact CB-CE1 4.48Å; E169-Y175 PolarHBondContact O-OH 3.38Å; G170-Y175 VanDerWaalsContact CA-CD2 3.44Å; G170-Y175 VanDerWaalsContact CA-CZ 3.48Å; Y175-Y177 WeakPolarHBondContact CD2-OH 3.45Å; Y175-Y177 WeakPolarHBondContact O-CD2 3.3Å; Y175-Y177 WeakPolarHBondContact O-CE2 3.34Å; Y175-E287 WeakPolarHBondContact O-CA 3.47Å; Y175-S288 PolarHBondContact N-O 3.41Å; Y175-S288 PolarHBondContact O-N 3.15Å |
| 176 | L | 97.7 | Very high | 87 | Confident | 2 Ų | 2 | 27.4 Ų | 27.4 | 1% | 0.01 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 143.6 | 170.2 | -56.3 | 177.2 | 0 | 0 | 0 | 111.1 | L65 V136 L140 F178 A286 E287 | L65-L176 HydrophobicContact CD1-CD1 4.1Å; V136-L176 HydrophobicContact CB-CB 4.24Å; V136-L176 PolarHBondContact N-O 3.33Å; V136-L176 VanDerWaalsContact N-O 3.17Å; V136-L176 PolarHBondContact O-N 2.95Å; L140-L176 HydrophobicContact CD1-CD2 4.34Å; L140-L176 HydrophobicContact CD2-CD1 4.09Å; L140-L176 HydrophobicContact CG-CD1 3.97Å; L140-L176 HydrophobicContact CG-CD2 3.89Å; L176-F178 HydrophobicContact CB-CE2 3.95Å; L176-F178 HydrophobicContact CB-CZ 4.43Å; L176-F178 HydrophobicContact CD1-CE2 4.45Å; L176-F178 HydrophobicContact CD1-CZ 4.39Å; L176-A286 CarbonylContact C-O 3.55Å; L176-A286 WeakPolarHBondContact CA-O 3.19Å; L176-E287 HydrophobicContact CD2-CB 3.73Å; L176-E287 HydrophobicContact CD2-CG 3.76Å; L176-E287 WeakPolarHBondContact CD2-OE2 3.3Å |
| 177 | Y | 98.3 | Very high | 88.4 | Confident | 35 Ų | 35 | 22.8 Ų | 22.8 | 14% | 0.137 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 103.1 | -176.2 | -68.1 | -88.1 | 0 | 0 | 0 | 110.6 | Y132 G133 A134 D135 Y175 C285 A286 S288 | Y132-Y177 HydrophobicContact CE1-CD1 4.09Å; Y132-Y177 AromaticContact CZ-CD1 3.9Å; G133-Y177 CarbonylContact O-C 3.52Å; G133-Y177 WeakPolarHBondContact O-CA 3.47Å; A134-Y177 HydrophobicContact CB-CD1 3.82Å; A134-Y177 HydrophobicContact CB-CE1 3.88Å; D135-Y177 WeakPolarHBondContact OD1-CE1 3.31Å; D135-Y177 VanDerWaalsContact OD1-CZ 3.23Å; D135-Y177 PolarHBondContact OD1-OH 2.9Å; Y175-Y177 WeakPolarHBondContact CD2-OH 3.45Å; Y175-Y177 WeakPolarHBondContact O-CD2 3.3Å; Y175-Y177 WeakPolarHBondContact O-CE2 3.34Å; Y177-C285 WeakPolarHBondContact O-CA 3.4Å; Y177-A286 PolarHBondContact N-O 2.87Å; Y177-A286 PolarHBondContact O-N 3.25Å; Y177-S288 WeakPolarHBondContact CE2-OG 3.41Å |
| 178 | F | 98.7 | Very high | 89.8 | Confident | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 106.9 | 175.9 | -62.4 | -83.9 | 0 | 0 | 0 | 110.3 | L65 I67 V94 F97 Y132 G133 L176 N284 C285 | L65-F178 HydrophobicContact CD2-CE2 3.86Å; L65-F178 HydrophobicContact CD2-CZ 3.94Å; I67-F178 HydrophobicContact CD1-CB 3.95Å; I67-F178 HydrophobicContact CD1-CD2 3.82Å; I67-F178 HydrophobicContact CD1-CG 3.92Å; I67-F178 HydrophobicContact CG1-CD2 3.9Å; I67-F178 HydrophobicContact CG1-CE2 4.3Å; I67-F178 HydrophobicContact CG1-CG 4.49Å; V94-F178 HydrophobicContact CB-CE1 4.4Å; V94-F178 HydrophobicContact CG1-CD1 4.12Å; V94-F178 HydrophobicContact CG1-CE1 3.91Å; V94-F178 HydrophobicContact CG2-CD1 3.96Å; V94-F178 HydrophobicContact CG2-CD2 4.44Å; V94-F178 HydrophobicContact CG2-CE1 3.48Å; V94-F178 VanDerWaalsContact CG2-CE1 3.48Å; V94-F178 HydrophobicContact CG2-CE2 4.02Å; V94-F178 HydrophobicContact CG2-CG 4.42Å; V94-F178 HydrophobicContact CG2-CZ 3.52Å; F97-F178 HydrophobicContact CD1-CB 4.09Å; F97-F178 HydrophobicContact CE1-CB 3.86Å; F97-F178 HydrophobicContact CZ-CB 4.24Å; F97-F178 WeakPolarHBondContact CZ-O 3.4Å; Y132-F178 WeakPolarHBondContact CD2-O 3.44Å; G133-F178 PolarHBondContact N-O 3.48Å; G133-F178 PolarHBondContact O-N 3.12Å; L176-F178 HydrophobicContact CB-CE2 3.95Å; L176-F178 HydrophobicContact CB-CZ 4.43Å; L176-F178 HydrophobicContact CD1-CE2 4.45Å; L176-F178 HydrophobicContact CD1-CZ 4.39Å; F178-N284 CarbonylContact C-O 3.57Å; F178-N284 WeakPolarHBondContact CA-O 3.36Å; F178-C285 HydrophobicContact CD1-CB 3.9Å; F178-C285 HydrophobicContact CE1-CB 3.85Å; F178-C285 WeakPolarHBondContact CE1-SG 3.34Å |
| 179 | G | 98.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 154.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | F97 T183 G282 F283 N284 | F97-G179 WeakPolarHBondContact CE1-O 3.2Å; G179-T183 WeakPolarHBondContact CA-OG1 3.38Å; G179-G282 CarbonylContact C-O 3.58Å; G179-F283 VanDerWaalsContact O-CA 3.3Å; G179-F283 WeakPolarHBondContact O-CA 3.39Å; G179-N284 VanDerWaalsContact CA-OD1 3.28Å; G179-N284 WeakPolarHBondContact CA-OD1 3.21Å; G179-N284 PolarHBondContact N-O 2.92Å; G179-N284 PolarHBondContact N-OD1 3.23Å; G179-N284 PolarHBondContact O-N 2.87Å; G179-N284 VanDerWaalsContact O-N 3.15Å |
| 180 | M | 98.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 6% | 0.063 | C | C | . | . | trans | -133.2 | 174.3 | 158.7 | 69.8 | 175.3 | 58.1 | 0 | 0 | 108.7 | F97 I100 A101 Y106 P130 I131 K182 T183 G282 | F97-M180 HydrophobicContact CD2-CE 4.34Å; F97-M180 HydrophobicContact CE1-CB 4.45Å; F97-M180 HydrophobicContact CE1-CE 4.16Å; F97-M180 HydrophobicContact CE2-CE 3.81Å; F97-M180 HydrophobicContact CZ-CB 4.39Å; F97-M180 HydrophobicContact CZ-CE 3.69Å; I100-M180 HydrophobicContact CB-CE 4.39Å; I100-M180 HydrophobicContact CG2-CE 3.89Å; A101-M180 HydrophobicContact CB-CB 3.55Å; A101-M180 HydrophobicContact CB-CE 4.04Å; Y106-M180 HydrophobicContact CD1-SD 4.16Å; Y106-M180 HydrophobicContact CG-SD 4.12Å; P130-M180 HydrophobicContact CB-CG 4.13Å; P130-M180 HydrophobicContact CB-SD 4.21Å; I131-M180 HydrophobicContact CB-CE 3.96Å; I131-M180 HydrophobicContact CB-SD 4.35Å; I131-M180 PolarHBondContact N-SD 3.5Å; I131-M180 WeakPolarHBondContact O-CE 3.43Å; I131-M180 VanDerWaalsContact O-CG 3.3Å; I131-M180 WeakPolarHBondContact O-CG 3.39Å; M180-K182 PolarHBondContact O-N 2.92Å; M180-T183 HydrophobicContact CB-CG2 4.41Å; M180-T183 HydrophobicContact CG-CG2 3.51Å; M180-T183 PolarHBondContact N-OG1 2.81Å; M180-T183 PolarHBondContact O-N 2.99Å; M180-T183 PolarHBondContact O-OG1 3.1Å; M180-G282 CarbonylContact C-O 3.57Å; M180-G282 WeakPolarHBondContact CA-O 3.48Å | ||
| 181 | W | 98.5 | Very high | 94.2 | Very high | 22 Ų | 22 | 13.2 Ų | 13.2 | 8% | 0.083 | 6% | 0.064 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | 134.4 | 179.9 | 164.2 | -126.8 | 0 | 0 | 0 | 111.7 | Y106 P109 L117 K120 T183 F279 H281 | Y106-W181 WeakPolarHBondContact O-CB 3.33Å; P109-W181 HydrophobicContact CG-CH2 4.48Å; P109-W181 HydrophobicContact CG-CZ2 3.66Å; L117-W181 HydrophobicContact CD1-CE3 4.15Å; L117-W181 HydrophobicContact CD1-CH2 3.38Å; L117-W181 HydrophobicContact CD1-CZ2 4.06Å; L117-W181 HydrophobicContact CD1-CZ3 3.46Å; L117-W181 VanDerWaalsContact CD1-CZ3 3.46Å; L117-W181 HydrophobicContact CD2-CZ3 4.02Å; L117-W181 HydrophobicContact CG-CH2 3.77Å; L117-W181 HydrophobicContact CG-CZ3 3.58Å; K120-W181 HydrophobicContact CB-CH2 4.46Å; K120-W181 HydrophobicContact CB-CZ2 4.39Å; W181-T183 PolarHBondContact O-N 3.17Å; W181-F279 HydrophobicContact CZ3-CD2 4.21Å; W181-F279 HydrophobicContact CZ3-CE2 4.08Å; W181-H281 WeakPolarHBondContact CB-O 3.41Å; W181-H281 VanDerWaalsContact CE3-O 3.26Å |
| 182 | K | 97.8 | Very high | 95.3 | Very high | 11 Ų | 11 | 13.3 Ų | 13.3 | 5% | 0.048 | 6% | 0.064 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65.7 | -0.7 | -173.6 | -48.2 | 169.4 | 33.3 | 173.1 | 0 | 116.8 | Y121 N124 L125 F127 N128 P130 M180 S184 N280 | Y121-K182 HydrophobicContact CD2-CB 4.2Å; Y121-K182 HydrophobicContact CD2-CG 4.33Å; Y121-K182 HydrophobicContact CE2-CB 4.4Å; N124-K182 PolarHBondContact O-NZ 2.8Å; L125-K182 VanDerWaalsContact C-NZ 3.28Å; L125-K182 WeakPolarHBondContact O-CE 3.15Å; L125-K182 PolarHBondContact O-NZ 2.93Å; F127-K182 PolarHBondContact O-NZ 3.47Å; N128-K182 PolarHBondContact O-NZ 2.96Å; P130-K182 HydrophobicContact CG-CB 4.12Å; M180-K182 PolarHBondContact O-N 2.92Å; K182-S184 PolarHBondContact O-N 2.65Å; K182-S184 PolarHBondContact O-OG 2.73Å; K182-N280 PolarHBondContact N-O 2.91Å; K182-N280 VanDerWaalsContact N-O 3.09Å |
| 183 | T | 98.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 6% | 0.057 | C | C | . | . | trans | -64 | 129.8 | 176 | 60.6 | 0 | 0 | 0 | 0 | 109.4 | Q73 P130 I131 Y132 G179 M180 W181 F279 N280 | Q73-T183 VanDerWaalsContact OE1-CA 3.29Å; P130-T183 HydrophobicContact CB-CG2 3.86Å; P130-T183 HydrophobicContact CG-CG2 4.18Å; I131-T183 VanDerWaalsContact O-CG2 3.23Å; I131-T183 WeakPolarHBondContact O-CG2 3.43Å; Y132-T183 VanDerWaalsContact CD2-CB 3.48Å; Y132-T183 HydrophobicContact CD2-CG2 3.93Å; Y132-T183 VanDerWaalsContact CD2-OG1 3.27Å; Y132-T183 WeakPolarHBondContact CD2-OG1 3.5Å; Y132-T183 HydrophobicContact CG-CG2 4.08Å; G179-T183 WeakPolarHBondContact CA-OG1 3.38Å; M180-T183 HydrophobicContact CB-CG2 4.41Å; M180-T183 HydrophobicContact CG-CG2 3.51Å; M180-T183 PolarHBondContact N-OG1 2.81Å; M180-T183 PolarHBondContact O-N 2.99Å; M180-T183 PolarHBondContact O-OG1 3.1Å; W181-T183 PolarHBondContact O-N 3.17Å; T183-F279 CarbonylContact O-C 3.29Å; T183-F279 WeakPolarHBondContact O-CA 3.45Å; T183-N280 PolarHBondContact O-N 2.87Å; T183-N280 PolarHBondContact O-ND2 2.98Å; T183-N280 VanDerWaalsContact O-ND2 3.12Å; T183-N280 PolarHBondContact OG1-ND2 2.89Å | ||
| 184 | S | 97.8 | Very high | 97 | Very high | 6 Ų | 6 | 10.7 Ų | 10.7 | 4% | 0.042 | 5% | 0.049 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 150.1 | -158.5 | -63.8 | 0 | 0 | 0 | 0 | 112.1 | Q73 Y121 K182 G278 | Q73-S184 PolarHBondContact NE2-O 3.19Å; Y121-S184 WeakPolarHBondContact CE2-OG 3.5Å; Y121-S184 PolarHBondContact OH-OG 2.82Å; Y121-S184 VanDerWaalsContact OH-OG 3.04Å; K182-S184 PolarHBondContact O-N 2.65Å; K182-S184 PolarHBondContact O-OG 2.73Å; S184-G278 WeakPolarHBondContact CA-O 3.41Å |
| 185 | F | 98.1 | Very high | 97.3 | Very high | 28 Ų | 28 | 9.9 Ų | 9.9 | 12% | 0.123 | 4% | 0.044 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 127.7 | 167 | 54.6 | -80.3 | 0 | 0 | 0 | 109.2 | K206 W208 H276 A277 G278 | F185-K206 HydrophobicContact CE1-CD 3.95Å; F185-K206 HydrophobicContact CE1-CG 3.93Å; F185-K206 HydrophobicContact CZ-CD 4.31Å; F185-K206 HydrophobicContact CZ-CG 4.41Å; F185-W208 HydrophobicContact CE2-CD2 4.01Å; F185-W208 AromaticContact CE2-CE3 3.49Å; F185-W208 HydrophobicContact CE2-CE3 3.49Å; F185-W208 VanDerWaalsContact CE2-CE3 3.49Å; F185-W208 HydrophobicContact CE2-CH2 4.37Å; F185-W208 AromaticContact CE2-CZ3 3.69Å; F185-W208 HydrophobicContact CE2-CZ3 3.69Å; F185-W208 AromaticContact CZ-CD2 3.62Å; F185-W208 HydrophobicContact CZ-CD2 3.62Å; F185-W208 AromaticContact CZ-CE3 3.62Å; F185-W208 HydrophobicContact CZ-CE3 3.62Å; F185-W208 HydrophobicContact CZ-CG 4.12Å; F185-W208 HydrophobicContact CZ-CH2 4.34Å; F185-W208 HydrophobicContact CZ-CZ2 4.36Å; F185-W208 AromaticContact CZ-CZ3 3.98Å; F185-W208 HydrophobicContact CZ-CZ3 3.98Å; F185-H276 AromaticContact CE2-CD2 4Å; F185-A277 CarbonylContact O-C 3.44Å; F185-A277 WeakPolarHBondContact O-CA 3.37Å; F185-G278 WeakPolarHBondContact CD1-O 3.28Å; F185-G278 VanDerWaalsContact CE2-N 3.32Å; F185-G278 PolarHBondContact N-O 3.44Å; F185-G278 PolarHBondContact O-N 3.08Å |
| 186 | A | 98.3 | Very high | 97.5 | Very high | 1 Ų | 1 | 8.3 Ų | 8.3 | 1% | 0.008 | 4% | 0.039 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 170.9 | -170.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | H188 K241 T243 L244 H276 | A186-H188 PolarHBondContact O-N 3.44Å; A186-H188 VanDerWaalsContact O-N 3.08Å; A186-H188 PolarHBondContact O-ND1 3.38Å; A186-K241 WeakPolarHBondContact CB-O 3.4Å; A186-T243 WeakPolarHBondContact CB-O 3.41Å; A186-L244 HydrophobicContact CB-CD2 4.26Å; A186-L244 HydrophobicContact CB-CG 4.49Å; A186-H276 VanDerWaalsContact O-O 3.11Å |
| 187 | W | 98.7 | Very high | 97.5 | Very high | 1 Ų | 1 | 8.2 Ų | 8.2 | 0% | 0.004 | 4% | 0.039 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 108.9 | 177.1 | -76.7 | 102.8 | 0 | 0 | 0 | 111.7 | Y209 V211 L219 T243 I245 L250 H276 A277 | W187-Y209 VanDerWaalsContact CH2-CB 3.5Å; W187-Y209 HydrophobicContact CZ2-CG 4.37Å; W187-V211 HydrophobicContact CH2-CG2 3.89Å; W187-V211 HydrophobicContact CZ3-CB 4.39Å; W187-V211 HydrophobicContact CZ3-CG2 3.76Å; W187-L219 HydrophobicContact CD2-CD2 4.05Å; W187-L219 HydrophobicContact CE3-CD2 3.65Å; W187-L219 HydrophobicContact CG-CD2 4.43Å; W187-L219 HydrophobicContact CZ3-CD2 4.23Å; W187-T243 PolarHBondContact N-O 3.3Å; W187-I245 PolarHBondContact NE1-O 3.18Å; W187-L250 HydrophobicContact CH2-CD1 3.86Å; W187-L250 HydrophobicContact CZ2-CD1 3.51Å; W187-H276 WeakPolarHBondContact CA-O 3.3Å; W187-A277 HydrophobicContact CB-CB 4.42Å; W187-A277 HydrophobicContact CD2-CB 3.49Å; W187-A277 VanDerWaalsContact CD2-CB 3.49Å; W187-A277 HydrophobicContact CE3-CB 3.95Å; W187-A277 HydrophobicContact CG-CB 3.72Å; W187-A277 HydrophobicContact CH2-CB 4.45Å; W187-A277 HydrophobicContact CZ2-CB 4.02Å; W187-A277 HydrophobicContact CZ3-CB 4.41Å |
| 188 | H | 98.4 | Very high | 97.5 | Very high | 10 Ų | 10 | 7 Ų | 7 | 5% | 0.046 | 3% | 0.034 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 169.5 | 176.7 | 72.2 | -63.7 | 0 | 0 | 0 | 111.8 | A186 K241 Y275 H276 | A186-H188 PolarHBondContact O-N 3.44Å; A186-H188 VanDerWaalsContact O-N 3.08Å; A186-H188 PolarHBondContact O-ND1 3.38Å; H188-K241 HydrophobicContact CB-CG 4.15Å; H188-K241 WeakPolarHBondContact CD2-CE 3.25Å; H188-K241 PolarHBondContact CD2-NZ 3.4Å; H188-K241 VanDerWaalsContact CD2-NZ 3.28Å; H188-K241 WeakPolarHBondContact NE2-CE 3.44Å; H188-K241 PolarHBondContact NE2-NZ 2.79Å; H188-Y275 VanDerWaalsContact C-CD1 3.47Å; H188-Y275 WeakPolarHBondContact O-CA 3.3Å; H188-Y275 WeakPolarHBondContact O-CD1 3.2Å; H188-H276 AromaticContact CE1-CD2 3.9Å; H188-H276 AromaticContact CE1-CE1 3.98Å; H188-H276 AromaticContact CE1-NE2 3.23Å; H188-H276 PolarHBondContact CE1-NE2 2.96Å; H188-H276 PolarHBondContact N-O 2.93Å; H188-H276 VanDerWaalsContact N-O 3.12Å; H188-H276 AromaticContact ND1-NE2 3.84Å; H188-H276 AromaticContact NE2-NE2 3.7Å; H188-H276 PolarHBondContact O-N 3.35Å |
| 189 | T | 98.3 | Very high | 97.5 | Very high | 3 Ų | 3 | 7.5 Ų | 7.5 | 2% | 0.018 | 4% | 0.036 | C | C | . | . | trans | -109.9 | 160.1 | 158.4 | 51.2 | 0 | 0 | 0 | 0 | 107.8 | D193 R239 Y273 Y275 | T189-D193 VanDerWaalsContact CB-OD1 3.24Å; T189-D193 WeakPolarHBondContact CB-OD1 3.3Å; T189-D193 PolarHBondContact OG1-OD1 3.48Å; T189-R239 PolarHBondContact OG1-NH1 3.23Å; T189-Y273 HydrophobicContact CG2-CD2 4.07Å; T189-Y275 HydrophobicContact CG2-CD1 3.85Å; T189-Y275 HydrophobicContact CG2-CD2 3.66Å; T189-Y275 HydrophobicContact CG2-CE1 3.91Å; T189-Y275 HydrophobicContact CG2-CE2 3.76Å; T189-Y275 HydrophobicContact CG2-CG 3.71Å | ||
| 190 | E | 95.4 | Very high | 97.5 | Very high | 16 Ų | 16 | 7.5 Ų | 7.5 | 8% | 0.075 | 4% | 0.036 | C | C | . | . | trans | -58.7 | 157.5 | 175.8 | -61.8 | -56.7 | 158.4 | 0 | 0 | 112.6 | D193 L194 S196 R239 H276 N290 | E190-D193 VanDerWaalsContact O-CA 3.25Å; E190-D193 WeakPolarHBondContact O-CA 3.28Å; E190-D193 PolarHBondContact O-N 2.85Å; E190-L194 HydrophobicContact CB-CB 4.14Å; E190-L194 WeakPolarHBondContact CB-O 3.33Å; E190-S196 VanDerWaalsContact CD-CB 3.44Å; E190-S196 VanDerWaalsContact CD-OG 3.3Å; E190-S196 WeakPolarHBondContact OE1-CB 3.33Å; E190-S196 PolarHBondContact OE1-OG 3.46Å; E190-R239 PolarHBondContact O-NH1 2.95Å; E190-H276 IonicContact OE1-CE1 2.71Å; E190-H276 PolarHBondContact OE1-CE1 2.82Å; E190-H276 VanDerWaalsContact OE1-CE1 3.26Å; E190-H276 IonicContact OE1-NE2 3.15Å; E190-N290 VanDerWaalsContact CD-ND2 3.29Å; E190-N290 WeakPolarHBondContact CG-ND2 3.48Å; E190-N290 PolarHBondContact OE2-ND2 2.9Å | ||
| 191 | D | 91.6 | Very high | 97.5 | Very high | 18 Ų | 18 | 7.9 Ų | 7.9 | 10% | 0.096 | 4% | 0.038 | C | C | . | . | G | 310 helix | trans | -63.7 | 141.1 | 175.5 | -78.4 | -70.3 | 0 | 0 | 0 | 111.1 | D193 L194 V313 | D191-D193 PolarHBondContact O-N 2.98Å; D191-L194 WeakPolarHBondContact O-CB 3.45Å; D191-L194 WeakPolarHBondContact O-CD1 3.48Å; D191-L194 WeakPolarHBondContact O-CG 3.43Å; D191-L194 PolarHBondContact O-N 3.2Å; D191-V313 HydrophobicContact CB-CB 3.87Å; D191-V313 HydrophobicContact CB-CG1 3.95Å; D191-V313 HydrophobicContact CB-CG2 4.35Å |
| 192 | M | 93.1 | Very high | 97.5 | Very high | 7 Ų | 7 | 8.4 Ų | 8.4 | 3% | 0.034 | 4% | 0.041 | C | C | . | . | G | 310 helix | trans | 51.7 | 19.2 | -164.8 | -57.9 | -67.1 | -54.8 | 0 | 0 | 114.9 | L194 W296 G300 L305 I315 M317 | M192-L194 HydrophobicContact CB-CG 4.45Å; M192-L194 PolarHBondContact O-N 2.83Å; M192-W296 HydrophobicContact CB-CZ2 4Å; M192-W296 PolarHBondContact O-NE1 3.11Å; M192-G300 WeakPolarHBondContact CE-O 3.36Å; M192-L305 HydrophobicContact SD-CD1 3.88Å; M192-L305 HydrophobicContact SD-CD2 3.71Å; M192-L305 HydrophobicContact SD-CG 4.41Å; M192-I315 HydrophobicContact CB-CD1 4.26Å; M192-I315 HydrophobicContact CE-CB 4.4Å; M192-I315 HydrophobicContact CG-CB 3.88Å; M192-I315 HydrophobicContact CG-CD1 3.85Å; M192-I315 HydrophobicContact CG-CG1 3.73Å; M192-I315 HydrophobicContact SD-CB 4.4Å; M192-I315 PolarHBondContact SD-N 3.37Å; M192-M317 HydrophobicContact CE-CG 4.14Å; M192-M317 HydrophobicContact CE-SD 3.96Å |
| 193 | D | 97.2 | Very high | 97.6 | Very high | 6 Ų | 6 | 9.6 Ų | 9.6 | 3% | 0.032 | 6% | 0.056 | C | C | . | . | G | 310 helix | trans | 53.1 | 38 | -174.2 | -59.1 | -39.9 | 0 | 0 | 0 | 113.5 | T189 E190 D191 R239 P272 A303 | T189-D193 VanDerWaalsContact CB-OD1 3.24Å; T189-D193 WeakPolarHBondContact CB-OD1 3.3Å; T189-D193 PolarHBondContact OG1-OD1 3.48Å; E190-D193 VanDerWaalsContact O-CA 3.25Å; E190-D193 WeakPolarHBondContact O-CA 3.28Å; E190-D193 PolarHBondContact O-N 2.85Å; D191-D193 PolarHBondContact O-N 2.98Å; D193-R239 IonicContact OD1-CZ 3.56Å; D193-R239 IonicContact OD1-NH1 3.61Å; D193-R239 PolarHBondContact OD1-NH1 3.23Å; D193-R239 IonicContact OD1-NH2 3.91Å; D193-R239 PolarHBondContact OD1-NH2 3.27Å; D193-R239 IonicContact OD2-NH2 2.82Å; D193-R239 PolarHBondContact OD2-NH2 2.87Å; D193-P272 VanDerWaalsContact O-CA 3.25Å; D193-P272 WeakPolarHBondContact O-CA 3.46Å; D193-P272 VanDerWaalsContact O-CB 3.3Å; D193-P272 WeakPolarHBondContact O-CB 3.16Å; D193-A303 HydrophobicContact CB-CB 4.33Å; D193-A303 WeakPolarHBondContact OD2-CA 3.09Å; D193-A303 VanDerWaalsContact OD2-CB 3.3Å; D193-A303 WeakPolarHBondContact OD2-CB 3.21Å |
| 194 | L | 97.2 | Very high | 97.6 | Very high | 1 Ų | 1 | 13.6 Ų | 13.6 | 1% | 0.005 | 8% | 0.075 | C | C | . | . | trans | -61.5 | 175.7 | 173.1 | -78.8 | 163.1 | 0 | 0 | 0 | 113.7 | L157 V171 E190 D191 M192 N290 F291 A292 W296 I315 | L157-L194 HydrophobicContact CD2-CD1 4.31Å; L157-L194 HydrophobicContact CD2-CD2 4.37Å; V171-L194 HydrophobicContact CG1-CD1 3.71Å; E190-L194 HydrophobicContact CB-CB 4.14Å; E190-L194 WeakPolarHBondContact CB-O 3.33Å; D191-L194 WeakPolarHBondContact O-CB 3.45Å; D191-L194 WeakPolarHBondContact O-CD1 3.48Å; D191-L194 WeakPolarHBondContact O-CG 3.43Å; D191-L194 PolarHBondContact O-N 3.2Å; M192-L194 HydrophobicContact CB-CG 4.45Å; M192-L194 PolarHBondContact O-N 2.83Å; L194-N290 HydrophobicContact CB-CB 4.03Å; L194-N290 HydrophobicContact CD1-CB 3.74Å; L194-N290 HydrophobicContact CG-CB 4.43Å; L194-F291 VanDerWaalsContact CD2-O 3.32Å; L194-F291 WeakPolarHBondContact CD2-O 3.25Å; L194-A292 HydrophobicContact CD2-CB 3.9Å; L194-W296 HydrophobicContact CD2-CD2 3.64Å; L194-W296 HydrophobicContact CD2-CE3 4.2Å; L194-W296 HydrophobicContact CD2-CG 4.07Å; L194-W296 HydrophobicContact CD2-CH2 4.11Å; L194-W296 HydrophobicContact CD2-CZ2 3.58Å; L194-W296 HydrophobicContact CD2-CZ3 4.41Å; L194-W296 HydrophobicContact CG-CZ2 3.94Å; L194-I315 HydrophobicContact CD1-CD1 3.79Å | ||
| 195 | Y | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 160.6 | 157.3 | -58.5 | -108.1 | 0 | 0 | 0 | 109.3 | I31 E35 T270 F271 P272 N290 F291 T293 R295 W296 | I31-Y195 HydrophobicContact CG2-CE1 4.36Å; E35-Y195 WeakPolarHBondContact OE1-CE1 3.39Å; E35-Y195 PolarHBondContact OE1-OH 3.11Å; Y195-T270 WeakPolarHBondContact CA-O 3.39Å; Y195-T270 WeakPolarHBondContact CB-O 3.14Å; Y195-F271 AromaticContact CD1-CD1 3.98Å; Y195-F271 HydrophobicContact CD1-CD1 3.98Å; Y195-F271 HydrophobicContact CD1-CG 4.49Å; Y195-F271 AromaticContact CE1-CD1 3.59Å; Y195-F271 HydrophobicContact CE1-CD1 3.59Å; Y195-F271 HydrophobicContact CE1-CE1 4.16Å; Y195-F271 HydrophobicContact CE1-CG 4.44Å; Y195-P272 VanDerWaalsContact CD1-CD 3.44Å; Y195-P272 HydrophobicContact CD1-CG 4.34Å; Y195-P272 HydrophobicContact CD2-CG 3.62Å; Y195-P272 VanDerWaalsContact CE1-CD 3.42Å; Y195-P272 HydrophobicContact CE1-CG 4.17Å; Y195-P272 HydrophobicContact CE2-CG 3.43Å; Y195-P272 VanDerWaalsContact CE2-CG 3.43Å; Y195-P272 HydrophobicContact CG-CG 4.08Å; Y195-N290 VanDerWaalsContact O-CA 3.23Å; Y195-N290 WeakPolarHBondContact O-CA 3.49Å; Y195-N290 WeakPolarHBondContact O-CB 3.36Å; Y195-N290 PolarHBondContact O-ND2 3.48Å; Y195-F291 VanDerWaalsContact CB-CE1 3.44Å; Y195-F291 WeakPolarHBondContact CB-O 3.5Å; Y195-F291 AromaticContact CD1-CE2 3.74Å; Y195-F291 HydrophobicContact CD1-CE2 3.74Å; Y195-F291 AromaticContact CD1-CZ 3.67Å; Y195-F291 HydrophobicContact CD1-CZ 3.67Å; Y195-F291 HydrophobicContact CD2-CD2 4.26Å; Y195-F291 HydrophobicContact CD2-CE2 4.07Å; Y195-F291 WeakPolarHBondContact CD2-O 3.42Å; Y195-F291 HydrophobicContact CE1-CE2 4.42Å; Y195-F291 HydrophobicContact CG-CD2 4.06Å; Y195-F291 HydrophobicContact CG-CE1 4.26Å; Y195-F291 AromaticContact CG-CE2 3.56Å; Y195-F291 HydrophobicContact CG-CE2 3.56Å; Y195-F291 AromaticContact CG-CZ 3.68Å; Y195-F291 HydrophobicContact CG-CZ 3.68Å; Y195-F291 PolarHBondContact N-O 3.44Å; Y195-F291 VanDerWaalsContact N-O 3.17Å; Y195-F291 PolarHBondContact O-N 2.8Å; Y195-F291 VanDerWaalsContact O-N 3.09Å; Y195-T293 HydrophobicContact CE1-CG2 4.42Å; Y195-T293 HydrophobicContact CE2-CG2 3.78Å; Y195-T293 PolarHBondContact OH-OG1 3.28Å; Y195-R295 PolarHBondContact OH-NH2 2.92Å; Y195-W296 HydrophobicContact CD2-CB 4.33Å; Y195-W296 HydrophobicContact CE2-CB 3.89Å |
| 196 | S | 98 | Very high | 97.6 | Very high | 8 Ų | 8 | 12.7 Ų | 12.7 | 6% | 0.056 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 151.7 | 157.5 | 63.7 | 0 | 0 | 0 | 0 | 111.7 | E190 I269 T270 T289 | E190-S196 VanDerWaalsContact CD-CB 3.44Å; E190-S196 VanDerWaalsContact CD-OG 3.3Å; E190-S196 WeakPolarHBondContact OE1-CB 3.33Å; E190-S196 PolarHBondContact OE1-OG 3.46Å; S196-I269 WeakPolarHBondContact O-CA 3.01Å; S196-T270 PolarHBondContact N-O 3.32Å; S196-T270 PolarHBondContact N-OG1 3.33Å; S196-T270 PolarHBondContact O-N 3.15Å; S196-T270 WeakPolarHBondContact OG-CG2 3.43Å; S196-T270 PolarHBondContact OG-OG1 3.01Å; S196-T289 WeakPolarHBondContact CA-O 3.26Å |
| 197 | I | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 132.9 | 169.4 | 178.8 | 169.6 | 0 | 0 | 0 | 107.9 | F27 W148 I150 L153 F267 I269 S288 T289 F291 | F27-I197 HydrophobicContact CE2-CD1 3.81Å; F27-I197 HydrophobicContact CZ-CD1 4.27Å; W148-I197 HydrophobicContact CE3-CD1 3.81Å; W148-I197 HydrophobicContact CZ3-CD1 4.25Å; I150-I197 HydrophobicContact CD1-CG1 4.4Å; I150-I197 HydrophobicContact CG1-CD1 4.28Å; I150-I197 HydrophobicContact CG1-CG1 4.47Å; I150-I197 HydrophobicContact CG1-CG2 4.27Å; I150-I197 HydrophobicContact CG2-CG2 4.26Å; L153-I197 HydrophobicContact CD1-CG2 3.64Å; L153-I197 HydrophobicContact CD2-CD1 4.22Å; L153-I197 HydrophobicContact CD2-CG2 4.43Å; I197-F267 HydrophobicContact CD1-CD1 3.63Å; I197-F267 HydrophobicContact CD1-CE1 3.77Å; I197-F267 HydrophobicContact CG1-CD1 3.77Å; I197-F267 HydrophobicContact CG1-CE1 4.28Å; I197-I269 HydrophobicContact CB-CD1 3.8Å; I197-I269 HydrophobicContact CD1-CD1 4.04Å; I197-I269 HydrophobicContact CG1-CD1 3.71Å; I197-S288 WeakPolarHBondContact O-CA 3.4Å; I197-S288 WeakPolarHBondContact O-CB 3.28Å; I197-T289 HydrophobicContact CG2-CG2 4.29Å; I197-T289 PolarHBondContact N-O 2.85Å; I197-T289 VanDerWaalsContact N-O 3.13Å; I197-T289 PolarHBondContact O-N 2.96Å; I197-F291 HydrophobicContact CB-CD1 4.21Å; I197-F291 HydrophobicContact CB-CE1 4Å; I197-F291 HydrophobicContact CG2-CD1 4.13Å; I197-F291 HydrophobicContact CG2-CE1 4.43Å |
| 198 | N | 98.7 | Very high | 97.7 | Very high | 8 Ų | 8 | 13.2 Ų | 13.2 | 4% | 0.043 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 127.4 | 173.4 | -175.6 | -91.6 | 0 | 0 | 0 | 110.6 | W208 Q262 F267 M268 E287 S288 | N198-W208 HydrophobicContact CB-CH2 4.01Å; N198-W208 HydrophobicContact CB-CZ2 3.99Å; N198-Q262 PolarHBondContact O-NE2 2.82Å; N198-Q262 PolarHBondContact OD1-NE2 2.79Å; N198-Q262 PolarHBondContact OD1-OE1 3.43Å; N198-F267 CarbonylContact O-C 3.53Å; N198-F267 WeakPolarHBondContact O-CA 3.06Å; N198-M268 PolarHBondContact N-O 3.35Å; N198-M268 PolarHBondContact O-N 3.33Å; N198-E287 CarbonylContact C-O 3.56Å; N198-E287 WeakPolarHBondContact CA-O 3.12Å; N198-S288 WeakPolarHBondContact ND2-CB 3.34Å; N198-S288 PolarHBondContact ND2-OG 3.34Å; N198-S288 VanDerWaalsContact ND2-OG 3.08Å |
| 199 | Y | 98.8 | Very high | 97.7 | Very high | 11 Ų | 11 | 12.9 Ų | 12.9 | 4% | 0.043 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 128.8 | 176.4 | -179.4 | -103.1 | 0 | 0 | 0 | 110.3 | W53 P55 H201 G265 F267 A286 E287 | W53-Y199 HydrophobicContact CH2-CE2 4.25Å; W53-Y199 AromaticContact CZ3-CE2 3.75Å; W53-Y199 HydrophobicContact CZ3-CE2 3.75Å; W53-Y199 AromaticContact CZ3-CZ 3.88Å; P55-Y199 WeakPolarHBondContact CD-OH 3.35Å; P55-Y199 HydrophobicContact CG-CD1 4.41Å; P55-Y199 HydrophobicContact CG-CE1 3.56Å; Y199-H201 HydrophobicContact CD1-CB 4.48Å; Y199-H201 AromaticContact CD1-CD2 3.74Å; Y199-H201 AromaticContact CD1-CE1 3.66Å; Y199-H201 AromaticContact CD1-CG 3.76Å; Y199-H201 AromaticContact CD1-ND1 3.72Å; Y199-H201 AromaticContact CD1-NE2 3.65Å; Y199-H201 HydrophobicContact CE1-CB 4.37Å; Y199-H201 AromaticContact CE1-CE1 3.89Å; Y199-H201 AromaticContact CE1-CG 3.88Å; Y199-H201 AromaticContact CE1-ND1 3.6Å; Y199-H201 PolarHBondContact O-N 3.24Å; Y199-G265 WeakPolarHBondContact CE2-O 3.35Å; Y199-F267 AromaticContact CD2-CD1 3.71Å; Y199-F267 HydrophobicContact CD2-CD1 3.71Å; Y199-F267 AromaticContact CD2-CD2 3.7Å; Y199-F267 HydrophobicContact CD2-CD2 3.7Å; Y199-F267 AromaticContact CD2-CE1 3.59Å; Y199-F267 HydrophobicContact CD2-CE1 3.59Å; Y199-F267 AromaticContact CD2-CE2 3.53Å; Y199-F267 HydrophobicContact CD2-CE2 3.53Å; Y199-F267 AromaticContact CD2-CG 3.79Å; Y199-F267 HydrophobicContact CD2-CG 3.79Å; Y199-F267 AromaticContact CD2-CZ 3.5Å; Y199-F267 HydrophobicContact CD2-CZ 3.5Å; Y199-F267 VanDerWaalsContact CD2-CZ 3.5Å; Y199-F267 HydrophobicContact CE2-CD2 4.12Å; Y199-F267 AromaticContact CE2-CE2 3.76Å; Y199-F267 HydrophobicContact CE2-CE2 3.76Å; Y199-F267 AromaticContact CE2-CZ 4Å; Y199-F267 HydrophobicContact CE2-CZ 4Å; Y199-F267 HydrophobicContact CG-CD1 4.16Å; Y199-F267 AromaticContact CG-CE1 3.91Å; Y199-F267 HydrophobicContact CG-CE1 3.91Å; Y199-F267 HydrophobicContact CG-CZ 4.13Å; Y199-A286 CarbonylContact O-C 3.57Å; Y199-A286 WeakPolarHBondContact O-CA 3.37Å; Y199-A286 WeakPolarHBondContact O-CB 3.48Å; Y199-E287 PolarHBondContact N-O 3.22Å; Y199-E287 PolarHBondContact O-N 2.87Å |
| 200 | L | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 98.3 | 178.3 | -169.2 | 62.3 | 0 | 0 | 0 | 109.4 | F202 K206 Q262 G265 E266 N284 A286 | L200-F202 PolarHBondContact O-N 2.93Å; L200-K206 HydrophobicContact CD2-CB 4.29Å; L200-Q262 HydrophobicContact CB-CG 4.05Å; L200-Q262 HydrophobicContact CD2-CG 4.26Å; L200-Q262 WeakPolarHBondContact CD2-O 3.31Å; L200-G265 PolarHBondContact O-N 3.12Å; L200-E266 PolarHBondContact N-O 3.07Å; L200-N284 HydrophobicContact CD1-CB 4.02Å; L200-A286 HydrophobicContact CD1-CB 3.87Å |
| 201 | H | 98.6 | Very high | 97.9 | Very high | 8 Ų | 8 | 12 Ų | 12 | 4% | 0.037 | 7% | 0.067 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | -45.3 | -172.5 | -81.4 | -84.2 | 0 | 0 | 0 | 113.7 | Y59 Y141 Y199 C285 E287 | Y59-H201 HydrophobicContact CE1-CB 3.82Å; Y59-H201 AromaticContact CE1-CG 3.96Å; Y59-H201 AromaticContact CE1-ND1 3.51Å; Y59-H201 WeakPolarHBondContact CE2-O 3.48Å; Y59-H201 AromaticContact CZ-ND1 3.59Å; Y59-H201 PolarHBondContact OH-ND1 3.25Å; Y59-H201 PolarHBondContact OH-O 3.36Å; Y141-H201 AromaticContact CD2-CE1 3.77Å; Y141-H201 AromaticContact CE2-CE1 3.56Å; Y141-H201 AromaticContact CE2-NE2 3.67Å; Y199-H201 HydrophobicContact CD1-CB 4.48Å; Y199-H201 AromaticContact CD1-CD2 3.74Å; Y199-H201 AromaticContact CD1-CE1 3.66Å; Y199-H201 AromaticContact CD1-CG 3.76Å; Y199-H201 AromaticContact CD1-ND1 3.72Å; Y199-H201 AromaticContact CD1-NE2 3.65Å; Y199-H201 HydrophobicContact CE1-CB 4.37Å; Y199-H201 AromaticContact CE1-CE1 3.89Å; Y199-H201 AromaticContact CE1-CG 3.88Å; Y199-H201 AromaticContact CE1-ND1 3.6Å; Y199-H201 PolarHBondContact O-N 3.24Å; H201-C285 PolarHBondContact N-O 2.75Å; H201-E287 IonicContact CE1-OE2 3.83Å; H201-E287 WeakPolarHBondContact NE2-CB 3.07Å; H201-E287 IonicContact NE2-OE2 3.01Å; H201-E287 PolarHBondContact NE2-OE2 2.81Å |
| 202 | F | 98.4 | Very high | 98.2 | Very high | 34 Ų | 34 | 11.4 Ų | 11.4 | 15% | 0.149 | 7% | 0.065 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -165.4 | 168.6 | -179.5 | 60.7 | -97.9 | 0 | 0 | 0 | 111.3 | Y59 I62 L140 L200 F283 N284 C285 | Y59-F202 AromaticContact CD1-CD1 3.64Å; Y59-F202 HydrophobicContact CD1-CD1 3.64Å; Y59-F202 AromaticContact CD1-CE1 3.83Å; Y59-F202 HydrophobicContact CD1-CE1 3.83Å; Y59-F202 HydrophobicContact CD2-CB 4.23Å; Y59-F202 AromaticContact CD2-CD1 3.74Å; Y59-F202 HydrophobicContact CD2-CD1 3.74Å; Y59-F202 HydrophobicContact CD2-CG 4.35Å; Y59-F202 HydrophobicContact CE1-CD1 4.03Å; Y59-F202 HydrophobicContact CE1-CE1 4.42Å; Y59-F202 HydrophobicContact CE2-CB 4.38Å; Y59-F202 HydrophobicContact CE2-CD1 4.1Å; Y59-F202 AromaticContact CG-CD1 3.5Å; Y59-F202 HydrophobicContact CG-CD1 3.5Å; Y59-F202 VanDerWaalsContact CG-CD1 3.5Å; Y59-F202 AromaticContact CG-CE1 3.96Å; Y59-F202 HydrophobicContact CG-CE1 3.96Å; Y59-F202 HydrophobicContact CG-CG 4.42Å; I62-F202 HydrophobicContact CD1-CD1 4.47Å; I62-F202 HydrophobicContact CD1-CE1 3.3Å; I62-F202 HydrophobicContact CD1-CE2 4.42Å; I62-F202 HydrophobicContact CD1-CZ 3.26Å; L140-F202 HydrophobicContact CD1-CE1 4.3Å; L200-F202 PolarHBondContact O-N 2.93Å; F202-F283 HydrophobicContact CD2-CE1 4.33Å; F202-F283 AromaticContact CE2-CE1 3.64Å; F202-F283 HydrophobicContact CE2-CE1 3.64Å; F202-F283 AromaticContact CE2-CZ 3.86Å; F202-F283 HydrophobicContact CE2-CZ 3.86Å; F202-F283 HydrophobicContact CZ-CZ 4.5Å; F202-N284 WeakPolarHBondContact O-CA 3.36Å; F202-N284 WeakPolarHBondContact O-CB 3.47Å; F202-C285 HydrophobicContact CD1-CB 4.17Å; F202-C285 HydrophobicContact CD2-CB 4.37Å; F202-C285 HydrophobicContact CE1-CB 3.45Å; F202-C285 VanDerWaalsContact CE1-CB 3.45Å; F202-C285 HydrophobicContact CE2-CB 3.67Å; F202-C285 HydrophobicContact CZ-CB 3.14Å; F202-C285 PolarHBondContact O-N 2.9Å; F202-C285 VanDerWaalsContact O-N 3.11Å |
| 203 | G | 98.3 | Very high | 98.4 | Very high | 35 Ų | 35 | 11.2 Ų | 11.2 | 36% | 0.361 | 6% | 0.064 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 90.9 | -160.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | F283 | G203-F283 WeakPolarHBondContact CA-O 3.37Å |
| 204 | E | 98.5 | Very high | 98.3 | Very high | 85 Ų | 85 | 14 Ų | 14 | 40% | 0.397 | 8% | 0.077 | S | C | . | . | S | Bend | trans | -70.6 | 154 | -171.3 | -61.9 | -60.4 | 142.1 | 0 | 0 | 113.2 | H281 F283 N284 | E204-H281 HydrophobicContact CB-CB 4.16Å; E204-F283 PolarHBondContact N-O 2.86Å; E204-N284 WeakPolarHBondContact O-CB 3.36Å; E204-N284 PolarHBondContact O-ND2 2.78Å |
| 205 | P | 98.7 | Very high | 98.3 | Very high | 12 Ų | 12 | 16.1 Ų | 16.1 | 8% | 0.078 | 9% | 0.086 | C | C | . | . | trans | -67 | 165.7 | -169.4 | -22.3 | 34.8 | 0 | 0 | 0 | 115.2 | T261 Q262 E263 H281 | P205-T261 HydrophobicContact CB-CG2 3.48Å; P205-T261 VanDerWaalsContact CB-CG2 3.48Å; P205-Q262 WeakPolarHBondContact CA-O 3.45Å; P205-Q262 WeakPolarHBondContact CB-O 3.47Å; P205-E263 WeakPolarHBondContact CG-OE2 3.48Å; P205-H281 WeakPolarHBondContact O-CB 3.42Å; P205-H281 PolarHBondContact O-CD2 2.84Å; P205-H281 PolarHBondContact O-N 3.09Å | ||
| 206 | K | 98.8 | Very high | 98.2 | Very high | 3 Ų | 3 | 16.1 Ų | 16.1 | 1% | 0.013 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 118.5 | 175.8 | -171.2 | -171.4 | -45.1 | -69.5 | 0 | 109.4 | F185 L200 W208 Q262 N280 | F185-K206 HydrophobicContact CE1-CD 3.95Å; F185-K206 HydrophobicContact CE1-CG 3.93Å; F185-K206 HydrophobicContact CZ-CD 4.31Å; F185-K206 HydrophobicContact CZ-CG 4.41Å; L200-K206 HydrophobicContact CD2-CB 4.29Å; K206-W208 HydrophobicContact CD-CZ2 3.68Å; K206-W208 VanDerWaalsContact O-CD1 3.31Å; K206-Q262 HydrophobicContact CB-CB 4.4Å; K206-Q262 PolarHBondContact N-O 3.06Å; K206-Q262 WeakPolarHBondContact O-CB 3.33Å; K206-Q262 PolarHBondContact O-N 3.33Å; K206-N280 WeakPolarHBondContact CG-OD1 3.46Å; K206-N280 PolarHBondContact NZ-OD1 2.95Å |
| 207 | S | 98.7 | Very high | 98.1 | Very high | 1 Ų | 1 | 20.2 Ų | 20.2 | 1% | 0.007 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 136.4 | 177 | -71.1 | 0 | 0 | 0 | 0 | 112.1 | F114 T261 G278 F279 H281 | F114-S207 WeakPolarHBondContact CE2-OG 3.42Å; F114-S207 VanDerWaalsContact CZ-OG 3.25Å; F114-S207 WeakPolarHBondContact CZ-OG 3.32Å; S207-T261 PolarHBondContact OG-OG1 3.33Å; S207-G278 CarbonylContact O-C 3.52Å; S207-G278 WeakPolarHBondContact O-CA 3.48Å; S207-F279 PolarHBondContact N-O 2.89Å; S207-F279 PolarHBondContact O-N 3.43Å; S207-H281 PolarHBondContact OG-NE2 2.8Å |
| 208 | W | 98.8 | Very high | 98 | Very high | 12 Ų | 12 | 24.1 Ų | 24.1 | 5% | 0.045 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 144.5 | -176.6 | -59.8 | 75.8 | 0 | 0 | 0 | 110.6 | L44 F185 N198 K206 K259 V260 M268 T270 H276 A277 | L44-W208 HydrophobicContact CD1-CE3 4.06Å; L44-W208 HydrophobicContact CD1-CZ3 4.41Å; L44-W208 HydrophobicContact CD2-CB 3.6Å; L44-W208 HydrophobicContact CD2-CD2 4.37Å; L44-W208 HydrophobicContact CD2-CE3 4.29Å; L44-W208 HydrophobicContact CD2-CG 4.14Å; F185-W208 HydrophobicContact CE2-CD2 4.01Å; F185-W208 AromaticContact CE2-CE3 3.49Å; F185-W208 HydrophobicContact CE2-CE3 3.49Å; F185-W208 VanDerWaalsContact CE2-CE3 3.49Å; F185-W208 HydrophobicContact CE2-CH2 4.37Å; F185-W208 AromaticContact CE2-CZ3 3.69Å; F185-W208 HydrophobicContact CE2-CZ3 3.69Å; F185-W208 AromaticContact CZ-CD2 3.62Å; F185-W208 HydrophobicContact CZ-CD2 3.62Å; F185-W208 AromaticContact CZ-CE3 3.62Å; F185-W208 HydrophobicContact CZ-CE3 3.62Å; F185-W208 HydrophobicContact CZ-CG 4.12Å; F185-W208 HydrophobicContact CZ-CH2 4.34Å; F185-W208 HydrophobicContact CZ-CZ2 4.36Å; F185-W208 AromaticContact CZ-CZ3 3.98Å; F185-W208 HydrophobicContact CZ-CZ3 3.98Å; N198-W208 HydrophobicContact CB-CH2 4.01Å; N198-W208 HydrophobicContact CB-CZ2 3.99Å; K206-W208 HydrophobicContact CD-CZ2 3.68Å; K206-W208 VanDerWaalsContact O-CD1 3.31Å; W208-K259 WeakPolarHBondContact O-CA 3.5Å; W208-V260 HydrophobicContact CB-CG1 3.94Å; W208-V260 PolarHBondContact N-O 3.26Å; W208-V260 PolarHBondContact O-N 3.06Å; W208-M268 HydrophobicContact CH2-CB 4.5Å; W208-M268 HydrophobicContact CZ2-CB 3.99Å; W208-M268 HydrophobicContact CZ2-CG 4.15Å; W208-T270 HydrophobicContact CZ3-CG2 4.07Å; W208-H276 AromaticContact CZ3-CD2 3.76Å; W208-A277 CarbonylContact C-O 3.47Å |
| 209 | Y | 98.8 | Very high | 97.9 | Very high | 2 Ų | 2 | 23.7 Ų | 23.7 | 1% | 0.008 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 142.6 | 161.5 | -53 | -84.1 | 0 | 0 | 0 | 108.1 | E118 W122 W187 P247 F257 D258 K259 H276 A277 F279 | E118-Y209 WeakPolarHBondContact CG-OH 3.36Å; E118-Y209 WeakPolarHBondContact OE1-CE1 3.29Å; E118-Y209 PolarHBondContact OE1-OH 2.82Å; E118-Y209 VanDerWaalsContact OE1-OH 3.05Å; W122-Y209 AromaticContact CZ2-CE2 3.8Å; W122-Y209 HydrophobicContact CZ2-CE2 3.8Å; W122-Y209 AromaticContact NE1-CZ 3.66Å; W122-Y209 PolarHBondContact NE1-OH 2.72Å; W187-Y209 VanDerWaalsContact CH2-CB 3.5Å; W187-Y209 HydrophobicContact CZ2-CG 4.37Å; Y209-P247 HydrophobicContact CD1-CB 4.29Å; Y209-P247 HydrophobicContact CE1-CB 3.96Å; Y209-P247 HydrophobicContact CE1-CG 3.74Å; Y209-F257 HydrophobicContact CD1-CD2 4.27Å; Y209-F257 HydrophobicContact CD1-CE2 4.32Å; Y209-D258 WeakPolarHBondContact CA-O 3.49Å; Y209-K259 HydrophobicContact CD1-CB 3.83Å; Y209-K259 HydrophobicContact CE1-CB 4.04Å; Y209-K259 HydrophobicContact CE1-CD 4.45Å; Y209-H276 WeakPolarHBondContact O-CA 3.44Å; Y209-H276 WeakPolarHBondContact O-CB 3.45Å; Y209-A277 PolarHBondContact N-O 3.22Å; Y209-A277 PolarHBondContact O-N 2.9Å; Y209-A277 VanDerWaalsContact O-N 3.11Å; Y209-F279 HydrophobicContact CE2-CD1 4.34Å; Y209-F279 HydrophobicContact CE2-CE1 4.27Å |
| 210 | S | 98.8 | Very high | 97.8 | Very high | 1 Ų | 1 | 24.3 Ų | 24.3 | 1% | 0.007 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 148.6 | 171.7 | -164.2 | 0 | 0 | 0 | 0 | 112.1 | A42 F257 D258 Y275 | A42-S210 PolarHBondContact O-OG 2.8Å; S210-F257 CarbonylContact O-C 3.36Å; S210-F257 WeakPolarHBondContact O-CA 3.46Å; S210-F257 VanDerWaalsContact O-CB 3.29Å; S210-F257 WeakPolarHBondContact O-CB 3.48Å; S210-D258 PolarHBondContact N-O 3.13Å; S210-D258 PolarHBondContact O-N 3.35Å; S210-Y275 CarbonylContact C-O 3.51Å; S210-Y275 WeakPolarHBondContact CA-O 3.5Å; S210-Y275 PolarHBondContact OG-O 2.85Å |
| 211 | V | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 124.3 | 172.4 | 170.7 | 0 | 0 | 0 | 0 | 108 | W187 H215 L219 L250 I255 F257 Y275 | W187-V211 HydrophobicContact CH2-CG2 3.89Å; W187-V211 HydrophobicContact CZ3-CB 4.39Å; W187-V211 HydrophobicContact CZ3-CG2 3.76Å; V211-H215 HydrophobicContact CG1-CB 4.09Å; V211-L219 HydrophobicContact CG2-CD2 4.29Å; V211-L250 HydrophobicContact CG2-CD1 4.26Å; V211-I255 HydrophobicContact CG1-CG2 4.2Å; V211-I255 HydrophobicContact CG2-CG2 4.06Å; V211-F257 HydrophobicContact CG2-CB 3.9Å; V211-Y275 PolarHBondContact N-O 3.45Å |
| 212 | P | 98.6 | Very high | 97.4 | Very high | 6 Ų | 6 | 33 Ų | 33 | 4% | 0.039 | 15% | 0.153 | C | C | . | . | trans | -44.9 | 137.9 | 175.9 | -36.2 | 39.5 | 0 | 0 | 0 | 113.7 | A12 R41 E214 H215 G216 | A12-P212 HydrophobicContact CB-CB 4.15Å; A12-P212 HydrophobicContact CB-CG 3.76Å; R41-P212 WeakPolarHBondContact O-CA 3.33Å; R41-P212 VanDerWaalsContact O-CB 3.25Å; R41-P212 WeakPolarHBondContact O-CB 3.32Å; P212-E214 VanDerWaalsContact C-N 3.26Å; P212-E214 HydrophobicContact CB-CG 3.77Å; P212-E214 PolarHBondContact O-N 2.82Å; P212-H215 HydrophobicContact CB-CB 4.42Å; P212-H215 CarbonylContact O-C 3.53Å; P212-H215 WeakPolarHBondContact O-CA 3.49Å; P212-H215 PolarHBondContact O-N 2.6Å; P212-G216 PolarHBondContact O-N 3.26Å; P212-G216 VanDerWaalsContact O-N 3.12Å | ||
| 213 | P | 98 | Very high | 97.2 | Very high | 3 Ų | 3 | 31.5 Ų | 31.5 | 2% | 0.019 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -56.9 | -38.1 | -179.8 | -25.5 | 34.1 | 0 | 0 | 0 | 112.9 | R41 H215 G216 Y273 H343 | R41-P213 WeakPolarHBondContact O-CD 3.34Å; P213-H215 PolarHBondContact O-N 2.88Å; P213-G216 PolarHBondContact O-N 2.9Å; P213-Y273 HydrophobicContact CB-CD1 4.29Å; P213-Y273 WeakPolarHBondContact O-CE1 3.23Å; P213-H343 HydrophobicContact CB-CB 4.32Å |
| 214 | E | 95.4 | Very high | 96.9 | Very high | 64 Ų | 64 | 32.5 Ų | 32.5 | 30% | 0.299 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -55.4 | -12.4 | 170.7 | 50.4 | 170.6 | -99.7 | 0 | 0 | 114.5 | R41 P212 H343 | R41-E214 IonicContact CZ-OE2 2.66Å; R41-E214 IonicContact NE-OE2 3.67Å; R41-E214 IonicContact NH2-OE2 2.65Å; R41-E214 PolarHBondContact NH2-OE2 2.65Å; R41-E214 VanDerWaalsContact NH2-OE2 3.11Å; P212-E214 VanDerWaalsContact C-N 3.26Å; P212-E214 HydrophobicContact CB-CG 3.77Å; P212-E214 PolarHBondContact O-N 2.82Å; E214-H343 HydrophobicContact CB-CB 4.12Å |
| 215 | H | 96.6 | Very high | 96.4 | Very high | 46 Ų | 46 | 31.1 Ų | 31.1 | 21% | 0.213 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -124.8 | 0.7 | 179.9 | -67.2 | -22.9 | 0 | 0 | 0 | 114.3 | V211 P212 P213 K217 R218 L219 P256 | V211-H215 HydrophobicContact CG1-CB 4.09Å; P212-H215 HydrophobicContact CB-CB 4.42Å; P212-H215 CarbonylContact O-C 3.53Å; P212-H215 WeakPolarHBondContact O-CA 3.49Å; P212-H215 PolarHBondContact O-N 2.6Å; P213-H215 PolarHBondContact O-N 2.88Å; H215-K217 VanDerWaalsContact C-N 3.32Å; H215-K217 PolarHBondContact O-N 2.78Å; H215-R218 WeakPolarHBondContact O-CA 3.38Å; H215-R218 WeakPolarHBondContact O-CB 3.2Å; H215-R218 PolarHBondContact O-N 2.81Å; H215-L219 PolarHBondContact O-N 2.82Å; H215-P256 HydrophobicContact CB-CG 4.22Å; H215-P256 WeakPolarHBondContact CD2-CG 3.25Å |
| 216 | G | 95.9 | Very high | 96 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -54.5 | -43.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | P212 P213 R218 L219 E220 | P212-G216 PolarHBondContact O-N 3.26Å; P212-G216 VanDerWaalsContact O-N 3.12Å; P213-G216 PolarHBondContact O-N 2.9Å; G216-R218 PolarHBondContact O-N 3Å; G216-L219 WeakPolarHBondContact O-CB 3.45Å; G216-L219 PolarHBondContact O-N 3.04Å; G216-E220 PolarHBondContact O-N 2.94Å |
| 217 | K | 95.6 | Very high | 95.6 | Very high | 94 Ų | 94 | 34.1 Ų | 34.1 | 41% | 0.409 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -63.2 | -13.3 | 174.9 | -68.6 | -65.9 | 167.7 | -157.9 | 0 | 113.7 | H215 E220 R221 Y273 | H215-K217 VanDerWaalsContact C-N 3.32Å; H215-K217 PolarHBondContact O-N 2.78Å; K217-E220 WeakPolarHBondContact CD-OE2 3.39Å; K217-E220 WeakPolarHBondContact CE-OE1 3.34Å; K217-E220 VanDerWaalsContact NZ-CD 3.31Å; K217-E220 IonicContact NZ-OE1 3.94Å; K217-E220 PolarHBondContact NZ-OE1 2.78Å; K217-E220 IonicContact NZ-OE2 2.82Å; K217-E220 PolarHBondContact NZ-OE2 3.05Å; K217-E220 VanDerWaalsContact NZ-OE2 3.11Å; K217-R221 PolarHBondContact O-NE 2.89Å; K217-R221 PolarHBondContact O-NH2 3.15Å; K217-Y273 WeakPolarHBondContact CA-OH 3.41Å; K217-Y273 WeakPolarHBondContact CD-OH 3.26Å; K217-Y273 WeakPolarHBondContact CE-OH 3.34Å; K217-Y273 HydrophobicContact CG-CE1 4.32Å; K217-Y273 VanDerWaalsContact CG-OH 3.27Å; K217-Y273 WeakPolarHBondContact CG-OH 3.31Å; K217-Y273 PolarHBondContact N-OH 2.78Å; K217-Y273 PolarHBondContact NZ-OH 2.9Å |
| 218 | R | 96.4 | Very high | 95 | Very high | 81 Ų | 81 | 36.7 Ų | 36.7 | 31% | 0.306 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -85.8 | -39 | 173 | -55.9 | 170.4 | 60.2 | -163.8 | -6.6 | 110.7 | H215 G216 R221 L222 G254 I255 P256 | H215-R218 WeakPolarHBondContact O-CA 3.38Å; H215-R218 WeakPolarHBondContact O-CB 3.2Å; H215-R218 PolarHBondContact O-N 2.81Å; G216-R218 PolarHBondContact O-N 3Å; R218-R221 PolarHBondContact O-N 3.37Å; R218-L222 PolarHBondContact O-N 3.3Å; R218-L222 VanDerWaalsContact O-N 3.07Å; R218-G254 PolarHBondContact NH2-O 3.32Å; R218-I255 HydrophobicContact CB-CD1 3.68Å; R218-P256 VanDerWaalsContact NH1-CD 3.29Å |
| 219 | L | 97.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.9 | -45.5 | 171.9 | -177 | 66.1 | 0 | 0 | 0 | 111.1 | W187 V211 H215 G216 R221 L222 A223 I245 L250 Y275 | W187-L219 HydrophobicContact CD2-CD2 4.05Å; W187-L219 HydrophobicContact CE3-CD2 3.65Å; W187-L219 HydrophobicContact CG-CD2 4.43Å; W187-L219 HydrophobicContact CZ3-CD2 4.23Å; V211-L219 HydrophobicContact CG2-CD2 4.29Å; H215-L219 PolarHBondContact O-N 2.82Å; G216-L219 WeakPolarHBondContact O-CB 3.45Å; G216-L219 PolarHBondContact O-N 3.04Å; L219-R221 VanDerWaalsContact C-N 3.29Å; L219-R221 PolarHBondContact O-N 2.9Å; L219-L222 PolarHBondContact O-N 3Å; L219-L222 VanDerWaalsContact O-N 3.09Å; L219-A223 WeakPolarHBondContact O-CB 3.39Å; L219-A223 PolarHBondContact O-N 2.86Å; L219-I245 HydrophobicContact CD1-CD1 4.35Å; L219-L250 HydrophobicContact CD1-CD2 3.6Å; L219-Y275 HydrophobicContact CD2-CD1 3.8Å; L219-Y275 HydrophobicContact CD2-CD2 4.29Å; L219-Y275 HydrophobicContact CD2-CG 3.66Å |
| 220 | E | 96.6 | Very high | 93.7 | Very high | 24 Ų | 24 | 40.1 Ų | 40.1 | 11% | 0.112 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -52.2 | -46.6 | 173.8 | -79.8 | -177 | -147.4 | 0 | 0 | 112.2 | G216 K217 A223 K224 Y273 Y275 | G216-E220 PolarHBondContact O-N 2.94Å; K217-E220 WeakPolarHBondContact CD-OE2 3.39Å; K217-E220 WeakPolarHBondContact CE-OE1 3.34Å; K217-E220 VanDerWaalsContact NZ-CD 3.31Å; K217-E220 IonicContact NZ-OE1 3.94Å; K217-E220 PolarHBondContact NZ-OE1 2.78Å; K217-E220 IonicContact NZ-OE2 2.82Å; K217-E220 PolarHBondContact NZ-OE2 3.05Å; K217-E220 VanDerWaalsContact NZ-OE2 3.11Å; E220-A223 PolarHBondContact O-N 2.91Å; E220-K224 VanDerWaalsContact O-CB 3.3Å; E220-K224 WeakPolarHBondContact O-CB 3.22Å; E220-K224 VanDerWaalsContact O-CG 3.26Å; E220-K224 WeakPolarHBondContact O-CG 3.44Å; E220-K224 PolarHBondContact O-N 3.02Å; E220-K224 IonicContact OE2-NZ 3.8Å; E220-Y273 WeakPolarHBondContact OE1-CE2 3.27Å; E220-Y273 PolarHBondContact OE1-OH 2.82Å; E220-Y275 HydrophobicContact CG-CE2 4.15Å; E220-Y275 WeakPolarHBondContact CG-OH 3.45Å |
| 221 | R | 95.1 | Very high | 93.2 | Very high | 170 Ų | 170 | 41.3 Ų | 41.3 | 64% | 0.642 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -66.4 | -37 | 178.9 | -82.3 | 176.7 | -76.3 | 164.9 | -9 | 112.6 | K217 R218 L219 G225 | K217-R221 PolarHBondContact O-NE 2.89Å; K217-R221 PolarHBondContact O-NH2 3.15Å; R218-R221 PolarHBondContact O-N 3.37Å; L219-R221 VanDerWaalsContact C-N 3.29Å; L219-R221 PolarHBondContact O-N 2.9Å; R221-G225 PolarHBondContact O-N 2.94Å; R221-G225 VanDerWaalsContact O-N 3.13Å |
| 222 | L | 93.9 | Very high | 92.8 | Very high | 21 Ų | 21 | 49 Ų | 49 | 11% | 0.11 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -66.6 | -45.9 | 175.4 | -172.5 | 65.7 | 0 | 0 | 0 | 111.1 | R218 L219 G225 F226 L250 Y253 I255 | R218-L222 PolarHBondContact O-N 3.3Å; R218-L222 VanDerWaalsContact O-N 3.07Å; L219-L222 PolarHBondContact O-N 3Å; L219-L222 VanDerWaalsContact O-N 3.09Å; L222-G225 PolarHBondContact O-N 3.29Å; L222-F226 HydrophobicContact CD1-CD2 4.05Å; L222-F226 HydrophobicContact CD1-CE2 3.43Å; L222-F226 VanDerWaalsContact CD1-CE2 3.43Å; L222-F226 HydrophobicContact CD1-CZ 4.09Å; L222-F226 HydrophobicContact CD2-CE2 4.23Å; L222-F226 HydrophobicContact CG-CD2 3.94Å; L222-F226 HydrophobicContact CG-CE2 3.66Å; L222-F226 WeakPolarHBondContact O-CD2 3.43Å; L222-F226 PolarHBondContact O-N 2.91Å; L222-F226 VanDerWaalsContact O-N 3.1Å; L222-L250 HydrophobicContact CD2-CD2 4.15Å; L222-Y253 HydrophobicContact CD1-CD1 3.59Å; L222-Y253 HydrophobicContact CD1-CD2 4.34Å; L222-Y253 HydrophobicContact CD1-CE1 4.31Å; L222-Y253 HydrophobicContact CD1-CG 3.61Å; L222-Y253 HydrophobicContact CD2-CG 4.45Å; L222-I255 HydrophobicContact CD2-CD1 4.45Å; L222-I255 HydrophobicContact CD2-CG1 3.69Å |
| 223 | A | 93.9 | Very high | 92.4 | Very high | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.008 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.6 | -46.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L219 E220 G225 F226 F227 F237 L238 I245 | L219-A223 WeakPolarHBondContact O-CB 3.39Å; L219-A223 PolarHBondContact O-N 2.86Å; E220-A223 PolarHBondContact O-N 2.91Å; A223-G225 PolarHBondContact O-N 2.91Å; A223-F226 PolarHBondContact O-N 3.03Å; A223-F226 VanDerWaalsContact O-N 3.14Å; A223-F227 WeakPolarHBondContact O-CD2 3.44Å; A223-F227 PolarHBondContact O-N 2.96Å; A223-F237 HydrophobicContact CB-CZ 3.85Å; A223-L238 HydrophobicContact CB-CD1 4.09Å; A223-L238 HydrophobicContact CB-CD2 3.98Å; A223-L238 HydrophobicContact CB-CG 4.38Å; A223-I245 HydrophobicContact CB-CD1 4.29Å |
| 224 | K | 91.7 | Very high | 92.1 | Very high | 56 Ų | 56 | 52.3 Ų | 52.3 | 24% | 0.243 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -58.5 | -28.7 | 174.1 | -73.3 | 174.8 | 175.2 | 172.7 | 0 | 112.3 | E220 A231 E235 F237 | E220-K224 VanDerWaalsContact O-CB 3.3Å; E220-K224 WeakPolarHBondContact O-CB 3.22Å; E220-K224 VanDerWaalsContact O-CG 3.26Å; E220-K224 WeakPolarHBondContact O-CG 3.44Å; E220-K224 PolarHBondContact O-N 3.02Å; E220-K224 IonicContact OE2-NZ 3.8Å; K224-A231 HydrophobicContact CB-CB 4.04Å; K224-A231 HydrophobicContact CG-CB 3.84Å; K224-E235 WeakPolarHBondContact CE-O 3.43Å; K224-E235 PolarHBondContact NZ-O 2.94Å; K224-E235 IonicContact NZ-OE1 3.19Å; K224-E235 PolarHBondContact NZ-OE1 2.94Å; K224-E235 VanDerWaalsContact NZ-OE1 3.15Å; K224-F237 HydrophobicContact CG-CE1 3.93Å |
| 225 | G | 87.6 | Confident | 91.8 | Very high | 57 Ų | 57 | 54.9 Ų | 54.9 | 59% | 0.588 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -76.4 | -35 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | R221 L222 A223 | R221-G225 PolarHBondContact O-N 2.94Å; R221-G225 VanDerWaalsContact O-N 3.13Å; L222-G225 PolarHBondContact O-N 3.29Å; A223-G225 PolarHBondContact O-N 2.91Å |
| 226 | F | 90.9 | Very high | 91.6 | Very high | 52 Ų | 52 | 53.4 Ų | 53.4 | 23% | 0.228 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -89.7 | -27.7 | 179.1 | -71.8 | -50.3 | 0 | 0 | 0 | 114.5 | L81 L222 A223 P228 M249 Y253 | L81-F226 HydrophobicContact CD1-CB 4.05Å; L81-F226 HydrophobicContact CD1-CD1 3.47Å; L81-F226 VanDerWaalsContact CD1-CD1 3.47Å; L81-F226 HydrophobicContact CD1-CD2 3.84Å; L81-F226 HydrophobicContact CD1-CE1 3.75Å; L81-F226 HydrophobicContact CD1-CE2 4.07Å; L81-F226 HydrophobicContact CD1-CG 3.53Å; L81-F226 HydrophobicContact CD1-CZ 4.03Å; L81-F226 HydrophobicContact CD2-CB 4.36Å; L81-F226 HydrophobicContact CD2-CD2 3.55Å; L81-F226 HydrophobicContact CD2-CE2 3.89Å; L81-F226 HydrophobicContact CD2-CG 3.99Å; L81-F226 HydrophobicContact CG-CD2 4.36Å; L81-F226 HydrophobicContact CG-CG 4.43Å; L222-F226 HydrophobicContact CD1-CD2 4.05Å; L222-F226 HydrophobicContact CD1-CE2 3.43Å; L222-F226 VanDerWaalsContact CD1-CE2 3.43Å; L222-F226 HydrophobicContact CD1-CZ 4.09Å; L222-F226 HydrophobicContact CD2-CE2 4.23Å; L222-F226 HydrophobicContact CG-CD2 3.94Å; L222-F226 HydrophobicContact CG-CE2 3.66Å; L222-F226 WeakPolarHBondContact O-CD2 3.43Å; L222-F226 PolarHBondContact O-N 2.91Å; L222-F226 VanDerWaalsContact O-N 3.1Å; A223-F226 PolarHBondContact O-N 3.03Å; A223-F226 VanDerWaalsContact O-N 3.14Å; F226-P228 WeakPolarHBondContact O-CD 3.39Å; F226-M249 HydrophobicContact CE1-CE 4.13Å; F226-M249 HydrophobicContact CE2-CE 3.64Å; F226-M249 HydrophobicContact CZ-CE 3.34Å; F226-Y253 HydrophobicContact CE2-CE2 4.38Å; F226-Y253 HydrophobicContact CZ-CD2 4.22Å; F226-Y253 HydrophobicContact CZ-CE1 4.05Å; F226-Y253 AromaticContact CZ-CE2 3.68Å; F226-Y253 HydrophobicContact CZ-CE2 3.68Å; F226-Y253 AromaticContact CZ-CZ 3.59Å |
| 227 | F | 90.9 | Very high | 91.6 | Very high | 25 Ų | 25 | 53.6 Ų | 53.6 | 11% | 0.11 | 29% | 0.289 | C | S | . | . | trans | -118 | 57.3 | -177.6 | -57.2 | -87.9 | 0 | 0 | 0 | 110.9 | L81 A223 G229 S230 A231 F237 T243 I245 | L81-F227 HydrophobicContact CB-CZ 4.25Å; L81-F227 HydrophobicContact CD2-CE2 4.32Å; A223-F227 WeakPolarHBondContact O-CD2 3.44Å; A223-F227 PolarHBondContact O-N 2.96Å; F227-G229 VanDerWaalsContact C-N 3.31Å; F227-G229 PolarHBondContact O-N 3.02Å; F227-S230 WeakPolarHBondContact O-CB 3.47Å; F227-S230 PolarHBondContact O-N 2.79Å; F227-S230 VanDerWaalsContact O-N 3.1Å; F227-A231 PolarHBondContact O-N 2.6Å; F227-F237 HydrophobicContact CB-CE2 3.81Å; F227-F237 HydrophobicContact CB-CZ 3.84Å; F227-F237 HydrophobicContact CD2-CE2 4.49Å; F227-F237 HydrophobicContact CG-CE2 4.3Å; F227-T243 HydrophobicContact CD2-CG2 3.78Å; F227-T243 HydrophobicContact CE1-CG2 4.38Å; F227-T243 HydrophobicContact CE2-CG2 3.43Å; F227-T243 VanDerWaalsContact CE2-CG2 3.43Å; F227-T243 HydrophobicContact CG-CG2 4.41Å; F227-T243 HydrophobicContact CZ-CG2 3.76Å; F227-I245 HydrophobicContact CE2-CD1 4.32Å; F227-I245 HydrophobicContact CE2-CG1 4.3Å | ||
| 228 | P | 85.3 | Confident | 91.7 | Very high | 55 Ų | 55 | 49.4 Ų | 49.4 | 36% | 0.357 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63.8 | -32.2 | -170.4 | 25.8 | -35.4 | 0 | 0 | 0 | 113.2 | F226 A231 Q232 | F226-P228 WeakPolarHBondContact O-CD 3.39Å; P228-A231 PolarHBondContact O-N 2.96Å; P228-Q232 WeakPolarHBondContact O-CB 3.43Å; P228-Q232 WeakPolarHBondContact O-CG 3.17Å; P228-Q232 PolarHBondContact O-N 3.01Å |
| 229 | G | 83.3 | Confident | 91.6 | Very high | 46 Ų | 46 | 46.3 Ų | 46.3 | 47% | 0.474 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -66.7 | -37.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113 | F227 S233 | F227-G229 VanDerWaalsContact C-N 3.31Å; F227-G229 PolarHBondContact O-N 3.02Å; G229-S233 PolarHBondContact O-N 2.86Å; G229-S233 PolarHBondContact O-OG 3.24Å |
| 230 | S | 87.6 | Confident | 91.5 | Very high | 41 Ų | 41 | 48 Ų | 48 | 29% | 0.287 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -68.5 | -42.2 | 173.5 | -50.1 | 0 | 0 | 0 | 0 | 111 | F227 Q232 S233 C234 F237 | F227-S230 WeakPolarHBondContact O-CB 3.47Å; F227-S230 PolarHBondContact O-N 2.79Å; F227-S230 VanDerWaalsContact O-N 3.1Å; S230-Q232 PolarHBondContact O-N 3.24Å; S230-S233 PolarHBondContact O-N 2.77Å; S230-S233 PolarHBondContact O-OG 3.04Å; S230-S233 VanDerWaalsContact O-OG 3.12Å; S230-C234 PolarHBondContact O-N 3.5Å; S230-C234 VanDerWaalsContact O-O 3.11Å; S230-F237 VanDerWaalsContact CB-CD2 3.44Å |
| 231 | A | 87.9 | Confident | 91.4 | Very high | 25 Ų | 25 | 50.3 Ų | 50.3 | 21% | 0.207 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.8 | -33 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | K224 F227 P228 F237 | K224-A231 HydrophobicContact CB-CB 4.04Å; K224-A231 HydrophobicContact CG-CB 3.84Å; F227-A231 PolarHBondContact O-N 2.6Å; P228-A231 PolarHBondContact O-N 2.96Å; A231-F237 HydrophobicContact CB-CD1 4.16Å; A231-F237 HydrophobicContact CB-CE1 3.89Å |
| 232 | Q | 89.4 | Confident | 91.4 | Very high | 161 Ų | 161 | 44.1 Ų | 44.1 | 75% | 0.752 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -74 | -28.3 | 175.9 | -77.3 | 169.6 | 2.5 | 0 | 0 | 112.9 | P228 S230 | P228-Q232 WeakPolarHBondContact O-CB 3.43Å; P228-Q232 WeakPolarHBondContact O-CG 3.17Å; P228-Q232 PolarHBondContact O-N 3.01Å; S230-Q232 PolarHBondContact O-N 3.24Å |
| 233 | S | 90.4 | Very high | 91.6 | Very high | 78 Ų | 78 | 43.3 Ų | 43.3 | 55% | 0.545 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -92.5 | -26.3 | 179.6 | 48.8 | 0 | 0 | 0 | 0 | 113.5 | G229 S230 | G229-S233 PolarHBondContact O-N 2.86Å; G229-S233 PolarHBondContact O-OG 3.24Å; S230-S233 PolarHBondContact O-N 2.77Å; S230-S233 PolarHBondContact O-OG 3.04Å; S230-S233 VanDerWaalsContact O-OG 3.12Å |
| 234 | C | 91.6 | Very high | 91.8 | Very high | 2 Ų | 2 | 43.3 Ų | 43.3 | 1% | 0.014 | 25% | 0.252 | C | S | . | . | trans | -150.8 | 130.6 | 167.8 | -169.8 | 0 | 0 | 0 | 0 | 112 | S230 A236 F237 C306 S307 C308 | S230-C234 PolarHBondContact O-N 3.5Å; S230-C234 VanDerWaalsContact O-O 3.11Å; C234-A236 VanDerWaalsContact C-N 3.28Å; C234-A236 PolarHBondContact O-N 3.03Å; C234-F237 HydrophobicContact CB-CB 4.17Å; C234-F237 PolarHBondContact O-N 3.24Å; C234-C306 VanDerWaalsContact SG-SG 3.63Å; C234-S307 PolarHBondContact SG-N 3.28Å; C234-C308 HydrophobicContact CB-CB 4.31Å | ||
| 235 | E | 89.1 | Confident | 92.1 | Very high | 118 Ų | 118 | 40.7 Ų | 40.7 | 55% | 0.551 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -37.1 | 178 | -178.3 | 166.1 | -162.8 | 0 | 0 | 112.6 | K224 V304 | K224-E235 WeakPolarHBondContact CE-O 3.43Å; K224-E235 PolarHBondContact NZ-O 2.94Å; K224-E235 IonicContact NZ-OE1 3.19Å; K224-E235 PolarHBondContact NZ-OE1 2.94Å; K224-E235 VanDerWaalsContact NZ-OE1 3.15Å; E235-V304 HydrophobicContact CG-CG1 4.41Å |
| 236 | A | 93.8 | Very high | 92.6 | Very high | 14 Ų | 14 | 38.2 Ų | 38.2 | 12% | 0.116 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | 31.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | C234 L238 R239 V304 L305 | C234-A236 VanDerWaalsContact C-N 3.28Å; C234-A236 PolarHBondContact O-N 3.03Å; A236-L238 PolarHBondContact O-N 3.48Å; A236-R239 HydrophobicContact CB-CG 4.42Å; A236-R239 WeakPolarHBondContact O-CB 3.37Å; A236-R239 PolarHBondContact O-N 3.16Å; A236-V304 HydrophobicContact CB-CG1 4.28Å; A236-V304 WeakPolarHBondContact CB-O 3.16Å; A236-L305 WeakPolarHBondContact CB-O 3.28Å |
| 237 | F | 96.1 | Very high | 92.9 | Very high | 4 Ų | 4 | 36.3 Ų | 36.3 | 2% | 0.018 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -55.3 | -19.2 | -172.6 | 75.4 | -86.9 | 0 | 0 | 0 | 115.8 | A223 K224 F227 S230 A231 C234 R239 H240 T243 | A223-F237 HydrophobicContact CB-CZ 3.85Å; K224-F237 HydrophobicContact CG-CE1 3.93Å; F227-F237 HydrophobicContact CB-CE2 3.81Å; F227-F237 HydrophobicContact CB-CZ 3.84Å; F227-F237 HydrophobicContact CD2-CE2 4.49Å; F227-F237 HydrophobicContact CG-CE2 4.3Å; S230-F237 VanDerWaalsContact CB-CD2 3.44Å; A231-F237 HydrophobicContact CB-CD1 4.16Å; A231-F237 HydrophobicContact CB-CE1 3.89Å; C234-F237 HydrophobicContact CB-CB 4.17Å; C234-F237 PolarHBondContact O-N 3.24Å; F237-R239 PolarHBondContact O-N 3.35Å; F237-H240 VanDerWaalsContact O-CB 3.24Å; F237-H240 WeakPolarHBondContact O-CB 3.43Å; F237-H240 PolarHBondContact O-N 2.83Å; F237-H240 PolarHBondContact O-ND1 3.45Å; F237-T243 HydrophobicContact CE2-CG2 4.44Å |
| 238 | L | 96.2 | Very high | 93.1 | Very high | 6 Ų | 6 | 41.5 Ų | 41.5 | 3% | 0.031 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -61.1 | -29.4 | 171.9 | -66.7 | 179 | 0 | 0 | 0 | 112.4 | A223 A236 H240 K241 T243 Y275 | A223-L238 HydrophobicContact CB-CD1 4.09Å; A223-L238 HydrophobicContact CB-CD2 3.98Å; A223-L238 HydrophobicContact CB-CG 4.38Å; A236-L238 PolarHBondContact O-N 3.48Å; L238-H240 PolarHBondContact O-N 3.11Å; L238-H240 VanDerWaalsContact O-N 3.14Å; L238-K241 PolarHBondContact O-N 2.91Å; L238-T243 HydrophobicContact CD2-CG2 3.85Å; L238-Y275 HydrophobicContact CB-CE1 4.17Å; L238-Y275 HydrophobicContact CD1-CD1 4.49Å; L238-Y275 HydrophobicContact CD1-CE1 3.59Å |
| 239 | R | 95.4 | Very high | 93.5 | Very high | 16 Ų | 16 | 39.5 Ų | 39.5 | 6% | 0.06 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -63.9 | -13.4 | 172.3 | -64.7 | -164.4 | -169.2 | -76.1 | -5.1 | 113.9 | T189 E190 D193 A236 F237 K241 V304 | T189-R239 PolarHBondContact OG1-NH1 3.23Å; E190-R239 PolarHBondContact O-NH1 2.95Å; D193-R239 IonicContact OD1-CZ 3.56Å; D193-R239 IonicContact OD1-NH1 3.61Å; D193-R239 PolarHBondContact OD1-NH1 3.23Å; D193-R239 IonicContact OD1-NH2 3.91Å; D193-R239 PolarHBondContact OD1-NH2 3.27Å; D193-R239 IonicContact OD2-NH2 2.82Å; D193-R239 PolarHBondContact OD2-NH2 2.87Å; A236-R239 HydrophobicContact CB-CG 4.42Å; A236-R239 WeakPolarHBondContact O-CB 3.37Å; A236-R239 PolarHBondContact O-N 3.16Å; F237-R239 PolarHBondContact O-N 3.35Å; R239-K241 PolarHBondContact O-N 3.46Å; R239-V304 PolarHBondContact NE-O 2.92Å; R239-V304 PolarHBondContact NH2-O 3.32Å |
| 240 | H | 94 | Very high | 94.1 | Very high | 35 Ų | 35 | 37.3 Ų | 37.3 | 16% | 0.162 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | -68.9 | -9.7 | 171.2 | -52.7 | 162.9 | 0 | 0 | 0 | 112.5 | F237 L238 M242 C306 C308 | F237-H240 VanDerWaalsContact O-CB 3.24Å; F237-H240 WeakPolarHBondContact O-CB 3.43Å; F237-H240 PolarHBondContact O-N 2.83Å; F237-H240 PolarHBondContact O-ND1 3.45Å; L238-H240 PolarHBondContact O-N 3.11Å; L238-H240 VanDerWaalsContact O-N 3.14Å; H240-M242 VanDerWaalsContact C-N 3.27Å; H240-M242 HydrophobicContact CB-CG 4.13Å; H240-M242 HydrophobicContact CB-SD 4.03Å; H240-M242 WeakPolarHBondContact O-CG 3.27Å; H240-M242 PolarHBondContact O-N 3.22Å; H240-C306 PolarHBondContact NE2-SG 3.14Å; H240-C308 PolarHBondContact NE2-SG 3.34Å |
| 241 | K | 95.9 | Very high | 94.4 | Very high | 73 Ų | 73 | 43 Ų | 43 | 32% | 0.317 | 22% | 0.218 | S | C | . | . | S | Bend | trans | 54.9 | 38.2 | -177.7 | -46.9 | -165.4 | -172.1 | -159.2 | 0 | 112.9 | A186 H188 L238 R239 | A186-K241 WeakPolarHBondContact CB-O 3.4Å; H188-K241 HydrophobicContact CB-CG 4.15Å; H188-K241 WeakPolarHBondContact CD2-CE 3.25Å; H188-K241 PolarHBondContact CD2-NZ 3.4Å; H188-K241 VanDerWaalsContact CD2-NZ 3.28Å; H188-K241 WeakPolarHBondContact NE2-CE 3.44Å; H188-K241 PolarHBondContact NE2-NZ 2.79Å; L238-K241 PolarHBondContact O-N 2.91Å; R239-K241 PolarHBondContact O-N 3.46Å |
| 242 | M | 95.4 | Very high | 94.7 | Very high | 41 Ų | 41 | 48.9 Ų | 48.9 | 20% | 0.202 | 24% | 0.239 | C | C | . | . | trans | -112.6 | -14.4 | -178 | -66.8 | 174.2 | 76.4 | 0 | 0 | 115.2 | T83 Q84 Y85 H240 | T83-M242 CarbonylContact C-O 3.58Å; T83-M242 WeakPolarHBondContact CA-O 3.41Å; T83-M242 HydrophobicContact CG2-CB 4.34Å; T83-M242 HydrophobicContact CG2-CE 4.17Å; Q84-M242 PolarHBondContact N-O 2.68Å; Q84-M242 WeakPolarHBondContact O-CB 3.29Å; Q84-M242 WeakPolarHBondContact O-CE 3.44Å; Q84-M242 WeakPolarHBondContact O-CG 3.44Å; Y85-M242 HydrophobicContact CD1-CE 3.53Å; Y85-M242 HydrophobicContact CE1-CE 3.64Å; Y85-M242 HydrophobicContact CG-CE 4.12Å; H240-M242 VanDerWaalsContact C-N 3.27Å; H240-M242 HydrophobicContact CB-CG 4.13Å; H240-M242 HydrophobicContact CB-SD 4.03Å; H240-M242 WeakPolarHBondContact O-CG 3.27Å; H240-M242 PolarHBondContact O-N 3.22Å | ||
| 243 | T | 97.5 | Very high | 94.9 | Very high | 4 Ų | 4 | 45.9 Ų | 45.9 | 3% | 0.025 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 117.1 | -168.6 | -57 | 0 | 0 | 0 | 0 | 113.2 | A186 W187 F227 F237 L238 I245 | A186-T243 WeakPolarHBondContact CB-O 3.41Å; W187-T243 PolarHBondContact N-O 3.3Å; F227-T243 HydrophobicContact CD2-CG2 3.78Å; F227-T243 HydrophobicContact CE1-CG2 4.38Å; F227-T243 HydrophobicContact CE2-CG2 3.43Å; F227-T243 VanDerWaalsContact CE2-CG2 3.43Å; F227-T243 HydrophobicContact CG-CG2 4.41Å; F227-T243 HydrophobicContact CZ-CG2 3.76Å; F237-T243 HydrophobicContact CE2-CG2 4.44Å; L238-T243 HydrophobicContact CD2-CG2 3.85Å; T243-I245 HydrophobicContact CG2-CD1 4.31Å; T243-I245 HydrophobicContact CG2-CG1 4.18Å |
| 244 | L | 98.1 | Very high | 95.1 | Very high | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 126.5 | 178.7 | -68.3 | 166.7 | 0 | 0 | 0 | 110.4 | V75 F82 Q84 L125 A186 | V75-L244 HydrophobicContact CG1-CD1 4.06Å; V75-L244 HydrophobicContact CG2-CD1 4.21Å; F82-L244 HydrophobicContact CB-CB 4.13Å; F82-L244 HydrophobicContact CD2-CB 4.45Å; F82-L244 PolarHBondContact N-O 3.03Å; F82-L244 PolarHBondContact O-N 3.18Å; Q84-L244 HydrophobicContact CB-CD1 4.18Å; L125-L244 HydrophobicContact CD1-CD1 4.16Å; A186-L244 HydrophobicContact CB-CD2 4.26Å; A186-L244 HydrophobicContact CB-CG 4.49Å |
| 245 | I | 98.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 127.9 | 179 | -56.2 | 179.7 | 0 | 0 | 0 | 107.8 | G80 L81 W122 W187 L219 A223 F227 T243 M249 L250 | G80-I245 WeakPolarHBondContact O-CA 3.33Å; L81-I245 HydrophobicContact CD2-CB 4.49Å; L81-I245 HydrophobicContact CD2-CG1 4.07Å; L81-I245 HydrophobicContact CD2-CG2 4.05Å; W122-I245 WeakPolarHBondContact CH2-O 3.32Å; W187-I245 PolarHBondContact NE1-O 3.18Å; L219-I245 HydrophobicContact CD1-CD1 4.35Å; A223-I245 HydrophobicContact CB-CD1 4.29Å; F227-I245 HydrophobicContact CE2-CD1 4.32Å; F227-I245 HydrophobicContact CE2-CG1 4.3Å; T243-I245 HydrophobicContact CG2-CD1 4.31Å; T243-I245 HydrophobicContact CG2-CG1 4.18Å; I245-M249 HydrophobicContact CG2-CB 3.85Å; I245-L250 HydrophobicContact CG2-CD2 3.74Å; I245-L250 HydrophobicContact CG2-CG 4.22Å |
| 246 | S | 97.8 | Very high | 95.8 | Very high | 6 Ų | 6 | 41.4 Ų | 41.4 | 4% | 0.042 | 21% | 0.208 | C | C | . | . | trans | -77.3 | 153.5 | -175.1 | 78.8 | 0 | 0 | 0 | 0 | 113.1 | G80 L248 M249 L250 | G80-S246 WeakPolarHBondContact CA-OG 3.38Å; G80-S246 PolarHBondContact O-N 3.44Å; S246-L248 PolarHBondContact O-N 3.07Å; S246-M249 WeakPolarHBondContact O-CA 3.36Å; S246-M249 WeakPolarHBondContact O-CB 3.26Å; S246-M249 PolarHBondContact O-N 2.9Å; S246-M249 PolarHBondContact OG-N 3.37Å; S246-L250 PolarHBondContact O-N 2.9Å | ||
| 247 | P | 96.8 | Very high | 96 | Very high | 12 Ų | 12 | 43.3 Ų | 43.3 | 8% | 0.078 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -58.8 | -29.7 | 175.2 | 23.8 | -34.8 | 0 | 0 | 0 | 112.4 | W122 Y209 L250 K251 F257 | W122-P247 VanDerWaalsContact NE1-CD 3.29Å; Y209-P247 HydrophobicContact CD1-CB 4.29Å; Y209-P247 HydrophobicContact CE1-CB 3.96Å; Y209-P247 HydrophobicContact CE1-CG 3.74Å; P247-L250 PolarHBondContact O-N 3.07Å; P247-K251 VanDerWaalsContact O-CB 3.27Å; P247-K251 WeakPolarHBondContact O-CB 3.47Å; P247-K251 PolarHBondContact O-N 2.76Å; P247-F257 HydrophobicContact CB-CD2 4.36Å; P247-F257 HydrophobicContact CB-CE1 4.22Å; P247-F257 HydrophobicContact CB-CE2 3.43Å; P247-F257 VanDerWaalsContact CB-CE2 3.43Å; P247-F257 HydrophobicContact CB-CZ 3.35Å; P247-F257 WeakPolarHBondContact O-CE1 3.39Å |
| 248 | L | 95.1 | Very high | 96.1 | Very high | 134 Ų | 134 | 45.3 Ų | 45.3 | 70% | 0.702 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -65.4 | -38.6 | 172.9 | -65 | 178.7 | 0 | 0 | 0 | 112.2 | S246 K252 | S246-L248 PolarHBondContact O-N 3.07Å; L248-K252 WeakPolarHBondContact O-CB 3.42Å; L248-K252 PolarHBondContact O-N 3Å |
| 249 | M | 94.8 | Very high | 96.2 | Very high | 12 Ų | 12 | 48 Ų | 48 | 6% | 0.059 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -71.6 | -40.1 | 175.6 | -77.4 | -62.6 | -69.6 | 0 | 0 | 112 | S79 L81 F226 I245 S246 K251 K252 Y253 | S79-M249 WeakPolarHBondContact O-CG 3.39Å; L81-M249 HydrophobicContact CD1-CE 3.83Å; L81-M249 HydrophobicContact CD2-CE 4.05Å; L81-M249 HydrophobicContact CG-CE 3.9Å; L81-M249 HydrophobicContact CG-CG 4.47Å; F226-M249 HydrophobicContact CE1-CE 4.13Å; F226-M249 HydrophobicContact CE2-CE 3.64Å; F226-M249 HydrophobicContact CZ-CE 3.34Å; I245-M249 HydrophobicContact CG2-CB 3.85Å; S246-M249 WeakPolarHBondContact O-CA 3.36Å; S246-M249 WeakPolarHBondContact O-CB 3.26Å; S246-M249 PolarHBondContact O-N 2.9Å; S246-M249 PolarHBondContact OG-N 3.37Å; M249-K251 PolarHBondContact O-N 2.87Å; M249-K252 PolarHBondContact O-N 3.35Å; M249-K252 HydrophobicContact SD-CD 3.85Å; M249-Y253 HydrophobicContact CE-CD2 4.13Å; M249-Y253 HydrophobicContact CE-CE2 3.62Å; M249-Y253 WeakPolarHBondContact O-CD2 3.33Å; M249-Y253 PolarHBondContact O-N 3.44Å; M249-Y253 VanDerWaalsContact O-N 3.16Å; M249-Y253 HydrophobicContact SD-CE2 4.35Å |
| 250 | L | 94.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -58.8 | -49 | 172.5 | -62.6 | -172.1 | 0 | 0 | 0 | 111.3 | W187 V211 L219 L222 I245 S246 P247 K252 Y253 G254 I255 F257 | W187-L250 HydrophobicContact CH2-CD1 3.86Å; W187-L250 HydrophobicContact CZ2-CD1 3.51Å; V211-L250 HydrophobicContact CG2-CD1 4.26Å; L219-L250 HydrophobicContact CD1-CD2 3.6Å; L222-L250 HydrophobicContact CD2-CD2 4.15Å; I245-L250 HydrophobicContact CG2-CD2 3.74Å; I245-L250 HydrophobicContact CG2-CG 4.22Å; S246-L250 PolarHBondContact O-N 2.9Å; P247-L250 PolarHBondContact O-N 3.07Å; L250-K252 PolarHBondContact O-N 3.48Å; L250-Y253 CarbonylContact O-C 3.48Å; L250-Y253 PolarHBondContact O-N 3.09Å; L250-G254 PolarHBondContact O-N 3.2Å; L250-I255 HydrophobicContact CB-CB 4.14Å; L250-I255 HydrophobicContact CD2-CB 4.13Å; L250-I255 HydrophobicContact CD2-CG1 4.32Å; L250-I255 HydrophobicContact CD2-CG2 4.19Å; L250-I255 PolarHBondContact O-N 3.06Å; L250-F257 HydrophobicContact CB-CD1 3.54Å; L250-F257 HydrophobicContact CB-CE1 3.85Å; L250-F257 HydrophobicContact CB-CG 4.36Å; L250-F257 HydrophobicContact CD1-CB 3.89Å; L250-F257 HydrophobicContact CD1-CD1 3.91Å; L250-F257 HydrophobicContact CD1-CG 3.87Å; L250-F257 HydrophobicContact CG-CD1 4.39Å |
| 251 | K | 94.5 | Very high | 96.6 | Very high | 161 Ų | 161 | 47.6 Ų | 47.6 | 70% | 0.7 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -59.8 | -43.5 | 176.6 | -166.3 | 168.4 | -174.3 | 169.4 | 0 | 112.6 | P247 M249 Y253 G254 F257 | P247-K251 VanDerWaalsContact O-CB 3.27Å; P247-K251 WeakPolarHBondContact O-CB 3.47Å; P247-K251 PolarHBondContact O-N 2.76Å; M249-K251 PolarHBondContact O-N 2.87Å; K251-Y253 VanDerWaalsContact C-N 3.28Å; K251-Y253 PolarHBondContact O-N 3.36Å; K251-G254 PolarHBondContact O-N 3.44Å; K251-G254 VanDerWaalsContact O-N 3.14Å; K251-F257 HydrophobicContact CB-CE1 4.2Å |
| 252 | K | 94.1 | Very high | 96.7 | Very high | 148 Ų | 148 | 44.1 Ų | 44.1 | 64% | 0.643 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -60.8 | -32.5 | 178.1 | 178 | 179.3 | 170.2 | -174.3 | 0 | 113.1 | L248 M249 L250 | L248-K252 WeakPolarHBondContact O-CB 3.42Å; L248-K252 PolarHBondContact O-N 3Å; M249-K252 PolarHBondContact O-N 3.35Å; M249-K252 HydrophobicContact SD-CD 3.85Å; L250-K252 PolarHBondContact O-N 3.48Å |
| 253 | Y | 93.9 | Very high | 96.9 | Very high | 99 Ų | 99 | 46.3 Ų | 46.3 | 39% | 0.388 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | 6.4 | 178.2 | -72.9 | -99.3 | 0 | 0 | 0 | 113.3 | L222 F226 M249 L250 K251 I255 | L222-Y253 HydrophobicContact CD1-CD1 3.59Å; L222-Y253 HydrophobicContact CD1-CD2 4.34Å; L222-Y253 HydrophobicContact CD1-CE1 4.31Å; L222-Y253 HydrophobicContact CD1-CG 3.61Å; L222-Y253 HydrophobicContact CD2-CG 4.45Å; F226-Y253 HydrophobicContact CE2-CE2 4.38Å; F226-Y253 HydrophobicContact CZ-CD2 4.22Å; F226-Y253 HydrophobicContact CZ-CE1 4.05Å; F226-Y253 AromaticContact CZ-CE2 3.68Å; F226-Y253 HydrophobicContact CZ-CE2 3.68Å; F226-Y253 AromaticContact CZ-CZ 3.59Å; M249-Y253 HydrophobicContact CE-CD2 4.13Å; M249-Y253 HydrophobicContact CE-CE2 3.62Å; M249-Y253 WeakPolarHBondContact O-CD2 3.33Å; M249-Y253 PolarHBondContact O-N 3.44Å; M249-Y253 VanDerWaalsContact O-N 3.16Å; M249-Y253 HydrophobicContact SD-CE2 4.35Å; L250-Y253 CarbonylContact O-C 3.48Å; L250-Y253 PolarHBondContact O-N 3.09Å; K251-Y253 VanDerWaalsContact C-N 3.28Å; K251-Y253 PolarHBondContact O-N 3.36Å; Y253-I255 VanDerWaalsContact C-N 3.26Å; Y253-I255 PolarHBondContact O-N 2.89Å |
| 254 | G | 94.9 | Very high | 96.9 | Very high | 44 Ų | 44 | 48.6 Ų | 48.6 | 45% | 0.454 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.2 | 21.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | R218 L250 K251 P256 | R218-G254 PolarHBondContact NH2-O 3.32Å; L250-G254 PolarHBondContact O-N 3.2Å; K251-G254 PolarHBondContact O-N 3.44Å; K251-G254 VanDerWaalsContact O-N 3.14Å; G254-P256 WeakPolarHBondContact O-CD 3.49Å |
| 255 | I | 97.6 | Very high | 96.9 | Very high | 11 Ų | 11 | 49.6 Ų | 49.6 | 6% | 0.056 | 26% | 0.262 | C | S | . | . | trans | -72.4 | 118.1 | 167.8 | -54.9 | -59.1 | 0 | 0 | 0 | 106.9 | V211 R218 L222 L250 Y253 | V211-I255 HydrophobicContact CG1-CG2 4.2Å; V211-I255 HydrophobicContact CG2-CG2 4.06Å; R218-I255 HydrophobicContact CB-CD1 3.68Å; L222-I255 HydrophobicContact CD2-CD1 4.45Å; L222-I255 HydrophobicContact CD2-CG1 3.69Å; L250-I255 HydrophobicContact CB-CB 4.14Å; L250-I255 HydrophobicContact CD2-CB 4.13Å; L250-I255 HydrophobicContact CD2-CG1 4.32Å; L250-I255 HydrophobicContact CD2-CG2 4.19Å; L250-I255 PolarHBondContact O-N 3.06Å; Y253-I255 VanDerWaalsContact C-N 3.26Å; Y253-I255 PolarHBondContact O-N 2.89Å | ||
| 256 | P | 97.3 | Very high | 97 | Very high | 48 Ų | 48 | 50.6 Ų | 50.6 | 31% | 0.312 | 27% | 0.267 | S | S | . | . | trans | -71.3 | 138.6 | 171.6 | 30.9 | -33.5 | 0 | 0 | 0 | 109.1 | H215 R218 G254 | H215-P256 HydrophobicContact CB-CG 4.22Å; H215-P256 WeakPolarHBondContact CD2-CG 3.25Å; R218-P256 VanDerWaalsContact NH1-CD 3.29Å; G254-P256 WeakPolarHBondContact O-CD 3.49Å | ||
| 257 | F | 98.5 | Very high | 97 | Very high | 55 Ų | 55 | 50.3 Ų | 50.3 | 24% | 0.241 | 27% | 0.265 | C | S | . | . | trans | -151.2 | 162.4 | 176 | 70.7 | -83.4 | 0 | 0 | 0 | 107.2 | Y209 S210 V211 P247 L250 K251 | Y209-F257 HydrophobicContact CD1-CD2 4.27Å; Y209-F257 HydrophobicContact CD1-CE2 4.32Å; S210-F257 CarbonylContact O-C 3.36Å; S210-F257 WeakPolarHBondContact O-CA 3.46Å; S210-F257 VanDerWaalsContact O-CB 3.29Å; S210-F257 WeakPolarHBondContact O-CB 3.48Å; V211-F257 HydrophobicContact CG2-CB 3.9Å; P247-F257 HydrophobicContact CB-CD2 4.36Å; P247-F257 HydrophobicContact CB-CE1 4.22Å; P247-F257 HydrophobicContact CB-CE2 3.43Å; P247-F257 VanDerWaalsContact CB-CE2 3.43Å; P247-F257 HydrophobicContact CB-CZ 3.35Å; P247-F257 WeakPolarHBondContact O-CE1 3.39Å; L250-F257 HydrophobicContact CB-CD1 3.54Å; L250-F257 HydrophobicContact CB-CE1 3.85Å; L250-F257 HydrophobicContact CB-CG 4.36Å; L250-F257 HydrophobicContact CD1-CB 3.89Å; L250-F257 HydrophobicContact CD1-CD1 3.91Å; L250-F257 HydrophobicContact CD1-CG 3.87Å; L250-F257 HydrophobicContact CG-CD1 4.39Å; K251-F257 HydrophobicContact CB-CE1 4.2Å | ||
| 258 | D | 98.4 | Very high | 97.1 | Very high | 45 Ų | 45 | 49.8 Ų | 49.8 | 24% | 0.241 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 163.1 | 171.9 | -158.1 | -0.4 | 0 | 0 | 0 | 109.8 | R13 I14 Y209 S210 | R13-D258 WeakPolarHBondContact CA-OD2 3.01Å; I14-D258 HydrophobicContact CD1-CB 3.71Å; I14-D258 HydrophobicContact CG1-CB 3.9Å; I14-D258 PolarHBondContact N-OD2 3.45Å; Y209-D258 WeakPolarHBondContact CA-O 3.49Å; S210-D258 PolarHBondContact N-O 3.13Å; S210-D258 PolarHBondContact O-N 3.35Å |
| 259 | K | 98.3 | Very high | 97.3 | Very high | 64 Ų | 64 | 43.4 Ų | 43.4 | 28% | 0.278 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 139.6 | -179.3 | 66.4 | 169.4 | -179.8 | 164.2 | 0 | 112.3 | F114 E115 E118 W208 Y209 | F114-K259 HydrophobicContact CE1-CD 4.22Å; E115-K259 IonicContact OE1-NZ 3.11Å; E115-K259 PolarHBondContact OE1-NZ 2.86Å; E118-K259 IonicContact OE1-NZ 3.08Å; E118-K259 IonicContact OE2-NZ 3.19Å; E118-K259 PolarHBondContact OE2-NZ 3.29Å; W208-K259 WeakPolarHBondContact O-CA 3.5Å; Y209-K259 HydrophobicContact CD1-CB 3.83Å; Y209-K259 HydrophobicContact CE1-CB 4.04Å; Y209-K259 HydrophobicContact CE1-CD 4.45Å |
| 260 | V | 98.6 | Very high | 97.5 | Very high | 21 Ų | 21 | 42.9 Ų | 42.9 | 13% | 0.127 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 149.5 | 178.9 | 66.7 | 0 | 0 | 0 | 0 | 110.4 | I14 L44 W208 M268 | I14-V260 HydrophobicContact CD1-CB 4.03Å; I14-V260 HydrophobicContact CD1-CG1 3.83Å; I14-V260 HydrophobicContact CG2-CB 4.18Å; I14-V260 HydrophobicContact CG2-CG1 4.16Å; I14-V260 HydrophobicContact CG2-CG2 4.37Å; L44-V260 HydrophobicContact CD2-CG1 3.83Å; W208-V260 HydrophobicContact CB-CG1 3.94Å; W208-V260 PolarHBondContact N-O 3.26Å; W208-V260 PolarHBondContact O-N 3.06Å; V260-M268 HydrophobicContact CG1-CE 3.6Å |
| 261 | T | 98.6 | Very high | 97.7 | Very high | 21 Ų | 21 | 43 Ų | 43 | 13% | 0.129 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 131.5 | 169.5 | -56.6 | 0 | 0 | 0 | 0 | 109.1 | K46 P205 S207 E263 | K46-T261 VanDerWaalsContact CE-O 3.28Å; K46-T261 WeakPolarHBondContact CE-O 3.35Å; K46-T261 PolarHBondContact NZ-O 3.23Å; P205-T261 HydrophobicContact CB-CG2 3.48Å; P205-T261 VanDerWaalsContact CB-CG2 3.48Å; S207-T261 PolarHBondContact OG-OG1 3.33Å; T261-E263 VanDerWaalsContact CG2-OE1 3.25Å; T261-E263 WeakPolarHBondContact CG2-OE1 3.1Å |
| 262 | Q | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 120.8 | 173.5 | 179 | -170 | 16.7 | 0 | 0 | 108.3 | N198 L200 P205 K206 E266 M268 | N198-Q262 PolarHBondContact O-NE2 2.82Å; N198-Q262 PolarHBondContact OD1-NE2 2.79Å; N198-Q262 PolarHBondContact OD1-OE1 3.43Å; L200-Q262 HydrophobicContact CB-CG 4.05Å; L200-Q262 HydrophobicContact CD2-CG 4.26Å; L200-Q262 WeakPolarHBondContact CD2-O 3.31Å; P205-Q262 WeakPolarHBondContact CA-O 3.45Å; P205-Q262 WeakPolarHBondContact CB-O 3.47Å; K206-Q262 HydrophobicContact CB-CB 4.4Å; K206-Q262 PolarHBondContact N-O 3.06Å; K206-Q262 WeakPolarHBondContact O-CB 3.33Å; K206-Q262 PolarHBondContact O-N 3.33Å; Q262-E266 WeakPolarHBondContact CA-OE2 3.29Å; Q262-E266 HydrophobicContact CG-CB 4.13Å; Q262-E266 PolarHBondContact NE2-O 2.71Å; Q262-M268 HydrophobicContact CB-CG 3.81Å; Q262-M268 HydrophobicContact CB-SD 4.09Å; Q262-M268 VanDerWaalsContact CD-CG 3.41Å; Q262-M268 HydrophobicContact CG-CG 3.69Å; Q262-M268 HydrophobicContact CG-SD 4.29Å |
| 263 | E | 98.6 | Very high | 98.1 | Very high | 86 Ų | 86 | 29 Ų | 29 | 40% | 0.402 | 17% | 0.165 | S | C | . | . | P | Polyproline II helix | trans | -91.7 | 165 | 176.4 | -53.2 | -58.8 | 139.3 | 0 | 0 | 110.4 | P205 T261 G265 E266 | P205-E263 WeakPolarHBondContact CG-OE2 3.48Å; T261-E263 VanDerWaalsContact CG2-OE1 3.25Å; T261-E263 WeakPolarHBondContact CG2-OE1 3.1Å; E263-G265 PolarHBondContact O-N 2.74Å; E263-E266 HydrophobicContact CB-CG 4.3Å; E263-E266 PolarHBondContact N-OE2 2.94Å; E263-E266 WeakPolarHBondContact O-CB 3.39Å; E263-E266 PolarHBondContact O-N 3.44Å |
| 264 | A | 98.5 | Very high | 98.3 | Very high | 53 Ų | 53 | 24.3 Ų | 24.3 | 44% | 0.438 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | 133.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 265 | G | 98.2 | Very high | 98.5 | Very high | 21 Ų | 21 | 22.8 Ų | 22.8 | 22% | 0.216 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 91.4 | 0.2 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | P49 Y199 L200 E263 | P49-G265 WeakPolarHBondContact CD-O 3.29Å; P49-G265 WeakPolarHBondContact CG-O 3.48Å; Y199-G265 WeakPolarHBondContact CE2-O 3.35Å; L200-G265 PolarHBondContact O-N 3.12Å; E263-G265 PolarHBondContact O-N 2.74Å |
| 266 | E | 98.8 | Very high | 98.5 | Very high | 21 Ų | 21 | 22.5 Ų | 22.5 | 10% | 0.098 | 13% | 0.126 | C | C | . | . | trans | -104.1 | 145.6 | -178.8 | -59 | -176.6 | 140.8 | 0 | 0 | 113.8 | K46 V48 L200 Q262 E263 | K46-E266 WeakPolarHBondContact CD-OE1 3.25Å; K46-E266 WeakPolarHBondContact CE-OE2 3.09Å; K46-E266 IonicContact NZ-OE1 3.38Å; K46-E266 PolarHBondContact NZ-OE1 3.42Å; K46-E266 IonicContact NZ-OE2 2.91Å; K46-E266 PolarHBondContact NZ-OE2 2.67Å; V48-E266 HydrophobicContact CG2-CG 4.17Å; L200-E266 PolarHBondContact N-O 3.07Å; Q262-E266 WeakPolarHBondContact CA-OE2 3.29Å; Q262-E266 HydrophobicContact CG-CB 4.13Å; Q262-E266 PolarHBondContact NE2-O 2.71Å; E263-E266 HydrophobicContact CB-CG 4.3Å; E263-E266 PolarHBondContact N-OE2 2.94Å; E263-E266 WeakPolarHBondContact O-CB 3.39Å; E263-E266 PolarHBondContact O-N 3.44Å | ||
| 267 | F | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 144 | 168.6 | -67.5 | -89.6 | 0 | 0 | 0 | 111.9 | F24 K46 V47 P49 W53 Y141 W148 I150 I197 N198 Y199 | F24-F267 HydrophobicContact CE2-CD2 4.45Å; F24-F267 HydrophobicContact CE2-CE2 4.03Å; F24-F267 AromaticContact CZ-CE2 3.72Å; F24-F267 HydrophobicContact CZ-CE2 3.72Å; F24-F267 HydrophobicContact CZ-CZ 4.21Å; K46-F267 WeakPolarHBondContact CA-O 3.47Å; V47-F267 HydrophobicContact CB-CB 4.25Å; V47-F267 PolarHBondContact N-O 3.21Å; V47-F267 WeakPolarHBondContact O-CB 3.4Å; V47-F267 PolarHBondContact O-N 3.37Å; P49-F267 HydrophobicContact CB-CD2 4.49Å; P49-F267 HydrophobicContact CB-CE2 4.18Å; P49-F267 HydrophobicContact CG-CD2 4.35Å; P49-F267 HydrophobicContact CG-CE2 4.2Å; W53-F267 AromaticContact CH2-CE2 3.83Å; W53-F267 HydrophobicContact CH2-CE2 3.83Å; W53-F267 AromaticContact CH2-CZ 3.52Å; W53-F267 HydrophobicContact CH2-CZ 3.52Å; W53-F267 HydrophobicContact CZ2-CZ 4.34Å; W53-F267 AromaticContact CZ3-CE2 3.7Å; W53-F267 HydrophobicContact CZ3-CE2 3.7Å; W53-F267 AromaticContact CZ3-CZ 3.89Å; W53-F267 HydrophobicContact CZ3-CZ 3.89Å; Y141-F267 WeakPolarHBondContact OH-CE1 3.47Å; Y141-F267 WeakPolarHBondContact OH-CZ 3.29Å; W148-F267 HydrophobicContact CB-CE1 4.12Å; W148-F267 HydrophobicContact CB-CE2 4.37Å; W148-F267 HydrophobicContact CB-CZ 3.67Å; W148-F267 HydrophobicContact CD2-CZ 4.44Å; W148-F267 HydrophobicContact CE3-CB 4.49Å; W148-F267 AromaticContact CE3-CD1 3.83Å; W148-F267 HydrophobicContact CE3-CD1 3.83Å; W148-F267 AromaticContact CE3-CD2 3.97Å; W148-F267 HydrophobicContact CE3-CD2 3.97Å; W148-F267 AromaticContact CE3-CE1 3.88Å; W148-F267 HydrophobicContact CE3-CE1 3.88Å; W148-F267 HydrophobicContact CE3-CE2 4.06Å; W148-F267 AromaticContact CE3-CG 3.85Å; W148-F267 HydrophobicContact CE3-CG 3.85Å; W148-F267 AromaticContact CE3-CZ 3.99Å; W148-F267 HydrophobicContact CE3-CZ 3.99Å; W148-F267 HydrophobicContact CG-CZ 4.36Å; W148-F267 HydrophobicContact CZ3-CB 4.25Å; W148-F267 HydrophobicContact CZ3-CD1 4.34Å; W148-F267 HydrophobicContact CZ3-CD2 4.38Å; W148-F267 HydrophobicContact CZ3-CG 4.09Å; I150-F267 HydrophobicContact CD1-CE1 4.5Å; I197-F267 HydrophobicContact CD1-CD1 3.63Å; I197-F267 HydrophobicContact CD1-CE1 3.77Å; I197-F267 HydrophobicContact CG1-CD1 3.77Å; I197-F267 HydrophobicContact CG1-CE1 4.28Å; N198-F267 CarbonylContact O-C 3.53Å; N198-F267 WeakPolarHBondContact O-CA 3.06Å; Y199-F267 AromaticContact CD2-CD1 3.71Å; Y199-F267 HydrophobicContact CD2-CD1 3.71Å; Y199-F267 AromaticContact CD2-CD2 3.7Å; Y199-F267 HydrophobicContact CD2-CD2 3.7Å; Y199-F267 AromaticContact CD2-CE1 3.59Å; Y199-F267 HydrophobicContact CD2-CE1 3.59Å; Y199-F267 AromaticContact CD2-CE2 3.53Å; Y199-F267 HydrophobicContact CD2-CE2 3.53Å; Y199-F267 AromaticContact CD2-CG 3.79Å; Y199-F267 HydrophobicContact CD2-CG 3.79Å; Y199-F267 AromaticContact CD2-CZ 3.5Å; Y199-F267 HydrophobicContact CD2-CZ 3.5Å; Y199-F267 VanDerWaalsContact CD2-CZ 3.5Å; Y199-F267 HydrophobicContact CE2-CD2 4.12Å; Y199-F267 AromaticContact CE2-CE2 3.76Å; Y199-F267 HydrophobicContact CE2-CE2 3.76Å; Y199-F267 AromaticContact CE2-CZ 4Å; Y199-F267 HydrophobicContact CE2-CZ 4Å; Y199-F267 HydrophobicContact CG-CD1 4.16Å; Y199-F267 AromaticContact CG-CE1 3.91Å; Y199-F267 HydrophobicContact CG-CE1 3.91Å; Y199-F267 HydrophobicContact CG-CZ 4.13Å |
| 268 | M | 98.8 | Very high | 98.6 | Very high | 1 Ų | 1 | 17.7 Ų | 17.7 | 1% | 0.005 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 134.9 | 163.3 | -62.7 | -57.6 | -55.5 | 0 | 0 | 109.4 | L44 A45 K46 N198 W208 V260 Q262 | L44-M268 HydrophobicContact CD1-CB 4.38Å; L44-M268 HydrophobicContact CD1-CE 3.76Å; L44-M268 HydrophobicContact CD2-CE 3.77Å; L44-M268 HydrophobicContact CG-CE 3.56Å; A45-M268 WeakPolarHBondContact O-CA 3.48Å; A45-M268 WeakPolarHBondContact O-CE 3.36Å; K46-M268 HydrophobicContact CB-CE 4.14Å; K46-M268 HydrophobicContact CB-SD 3.65Å; K46-M268 HydrophobicContact CG-SD 3.91Å; N198-M268 PolarHBondContact N-O 3.35Å; N198-M268 PolarHBondContact O-N 3.33Å; W208-M268 HydrophobicContact CH2-CB 4.5Å; W208-M268 HydrophobicContact CZ2-CB 3.99Å; W208-M268 HydrophobicContact CZ2-CG 4.15Å; V260-M268 HydrophobicContact CG1-CE 3.6Å; Q262-M268 HydrophobicContact CB-CG 3.81Å; Q262-M268 HydrophobicContact CB-SD 4.09Å; Q262-M268 VanDerWaalsContact CD-CG 3.41Å; Q262-M268 HydrophobicContact CG-CG 3.69Å; Q262-M268 HydrophobicContact CG-SD 4.29Å |
| 269 | I | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 119.3 | 175 | -59.1 | -62.3 | 0 | 0 | 0 | 108.5 | F27 I31 L44 A45 V47 W148 S196 I197 F271 F291 | F27-I269 HydrophobicContact CE2-CD1 4.25Å; I31-I269 HydrophobicContact CD1-CD1 4.04Å; I31-I269 HydrophobicContact CD1-CG1 4.07Å; I31-I269 HydrophobicContact CD1-CG2 4.16Å; L44-I269 CarbonylContact C-O 3.45Å; L44-I269 WeakPolarHBondContact CA-O 3.38Å; A45-I269 PolarHBondContact N-O 3.45Å; A45-I269 PolarHBondContact O-N 2.88Å; V47-I269 HydrophobicContact CG2-CG1 4.44Å; W148-I269 HydrophobicContact CZ3-CD1 4.16Å; S196-I269 WeakPolarHBondContact O-CA 3.01Å; I197-I269 HydrophobicContact CB-CD1 3.8Å; I197-I269 HydrophobicContact CD1-CD1 4.04Å; I197-I269 HydrophobicContact CG1-CD1 3.71Å; I269-F271 HydrophobicContact CB-CE2 4.4Å; I269-F271 HydrophobicContact CG2-CD2 4.43Å; I269-F271 HydrophobicContact CG2-CE1 4.32Å; I269-F271 HydrophobicContact CG2-CE2 4.01Å; I269-F271 HydrophobicContact CG2-CZ 3.96Å; I269-F291 HydrophobicContact CD1-CE1 4.2Å; I269-F291 HydrophobicContact CD1-CZ 4.37Å; I269-F291 HydrophobicContact CG2-CE1 4.39Å; I269-F291 HydrophobicContact CG2-CZ 4Å |
| 270 | T | 98.7 | Very high | 98.6 | Very high | 1 Ų | 1 | 12.5 Ų | 12.5 | 1% | 0.006 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 148.6 | 167.3 | 77.3 | 0 | 0 | 0 | 0 | 109.4 | L44 Y195 S196 W208 | L44-T270 HydrophobicContact CD1-CG2 3.77Å; Y195-T270 WeakPolarHBondContact CA-O 3.39Å; Y195-T270 WeakPolarHBondContact CB-O 3.14Å; S196-T270 PolarHBondContact N-O 3.32Å; S196-T270 PolarHBondContact N-OG1 3.33Å; S196-T270 PolarHBondContact O-N 3.15Å; S196-T270 WeakPolarHBondContact OG-CG2 3.43Å; S196-T270 PolarHBondContact OG-OG1 3.01Å; W208-T270 HydrophobicContact CZ3-CG2 4.07Å |
| 271 | F | 98.8 | Very high | 98.6 | Very high | 2 Ų | 2 | 11.7 Ų | 11.7 | 1% | 0.009 | 7% | 0.071 | C | C | . | . | trans | -111.6 | 154.3 | -176.8 | -66.6 | -94.6 | 0 | 0 | 0 | 111.5 | I34 E35 A39 H40 G43 A45 Y195 I269 Y273 G274 | I34-F271 HydrophobicContact CD1-CE1 4.48Å; I34-F271 HydrophobicContact CD1-CZ 3.85Å; I34-F271 HydrophobicContact CG1-CZ 4.24Å; E35-F271 HydrophobicContact CG-CD1 4.43Å; E35-F271 HydrophobicContact CG-CE1 3.83Å; E35-F271 VanDerWaalsContact OE1-CD1 3.26Å; E35-F271 WeakPolarHBondContact OE1-CD1 3.36Å; E35-F271 WeakPolarHBondContact OE1-CE1 3.35Å; A39-F271 HydrophobicContact CB-CE2 4.46Å; A39-F271 HydrophobicContact CB-CZ 4Å; H40-F271 HydrophobicContact CB-CB 4.36Å; H40-F271 HydrophobicContact CB-CD1 3.41Å; H40-F271 VanDerWaalsContact CB-CD1 3.41Å; H40-F271 HydrophobicContact CB-CE1 3.75Å; H40-F271 HydrophobicContact CB-CG 3.91Å; H40-F271 HydrophobicContact CB-CZ 4.49Å; G43-F271 PolarHBondContact O-N 3.41Å; A45-F271 HydrophobicContact CB-CE2 3.69Å; A45-F271 HydrophobicContact CB-CZ 4.12Å; Y195-F271 AromaticContact CD1-CD1 3.98Å; Y195-F271 HydrophobicContact CD1-CD1 3.98Å; Y195-F271 HydrophobicContact CD1-CG 4.49Å; Y195-F271 AromaticContact CE1-CD1 3.59Å; Y195-F271 HydrophobicContact CE1-CD1 3.59Å; Y195-F271 HydrophobicContact CE1-CE1 4.16Å; Y195-F271 HydrophobicContact CE1-CG 4.44Å; I269-F271 HydrophobicContact CB-CE2 4.4Å; I269-F271 HydrophobicContact CG2-CD2 4.43Å; I269-F271 HydrophobicContact CG2-CE1 4.32Å; I269-F271 HydrophobicContact CG2-CE2 4.01Å; I269-F271 HydrophobicContact CG2-CZ 3.96Å; F271-Y273 PolarHBondContact O-N 2.7Å; F271-G274 WeakPolarHBondContact O-CA 3.33Å; F271-G274 PolarHBondContact O-N 2.83Å | ||
| 272 | P | 98.6 | Very high | 98.6 | Very high | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 7% | 0.066 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -45.2 | 123.6 | 178.4 | -35.6 | 34.8 | 0 | 0 | 0 | 114.3 | D193 Y195 G274 W296 Y299 | D193-P272 VanDerWaalsContact O-CA 3.25Å; D193-P272 WeakPolarHBondContact O-CA 3.46Å; D193-P272 VanDerWaalsContact O-CB 3.3Å; D193-P272 WeakPolarHBondContact O-CB 3.16Å; Y195-P272 VanDerWaalsContact CD1-CD 3.44Å; Y195-P272 HydrophobicContact CD1-CG 4.34Å; Y195-P272 HydrophobicContact CD2-CG 3.62Å; Y195-P272 VanDerWaalsContact CE1-CD 3.42Å; Y195-P272 HydrophobicContact CE1-CG 4.17Å; Y195-P272 HydrophobicContact CE2-CG 3.43Å; Y195-P272 VanDerWaalsContact CE2-CG 3.43Å; Y195-P272 HydrophobicContact CG-CG 4.08Å; P272-G274 PolarHBondContact O-N 3.15Å; P272-W296 HydrophobicContact CG-CB 4.06Å; P272-Y299 HydrophobicContact CB-CD1 3.57Å; P272-Y299 HydrophobicContact CB-CD2 3.86Å; P272-Y299 HydrophobicContact CB-CE1 3.81Å; P272-Y299 HydrophobicContact CB-CE2 4.11Å; P272-Y299 HydrophobicContact CB-CG 3.57Å; P272-Y299 WeakPolarHBondContact O-CE1 3.48Å |
| 273 | Y | 98.4 | Very high | 98.6 | Very high | 15 Ų | 15 | 11.7 Ų | 11.7 | 6% | 0.059 | 7% | 0.07 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.6 | 14.1 | -175.6 | -166.3 | -112.9 | 0 | 0 | 0 | 115.5 | T189 P213 K217 E220 F271 Y275 | T189-Y273 HydrophobicContact CG2-CD2 4.07Å; P213-Y273 HydrophobicContact CB-CD1 4.29Å; P213-Y273 WeakPolarHBondContact O-CE1 3.23Å; K217-Y273 WeakPolarHBondContact CA-OH 3.41Å; K217-Y273 WeakPolarHBondContact CD-OH 3.26Å; K217-Y273 WeakPolarHBondContact CE-OH 3.34Å; K217-Y273 HydrophobicContact CG-CE1 4.32Å; K217-Y273 VanDerWaalsContact CG-OH 3.27Å; K217-Y273 WeakPolarHBondContact CG-OH 3.31Å; K217-Y273 PolarHBondContact N-OH 2.78Å; K217-Y273 PolarHBondContact NZ-OH 2.9Å; E220-Y273 WeakPolarHBondContact OE1-CE2 3.27Å; E220-Y273 PolarHBondContact OE1-OH 2.82Å; F271-Y273 PolarHBondContact O-N 2.7Å; Y273-Y275 HydrophobicContact CD2-CE2 4.4Å; Y273-Y275 AromaticContact CE2-CE2 3.77Å; Y273-Y275 HydrophobicContact CE2-CE2 3.77Å; Y273-Y275 AromaticContact CZ-CE2 3.95Å; Y273-Y275 PolarHBondContact O-N 3.35Å |
| 274 | G | 98.3 | Very high | 98.6 | Very high | 2 Ų | 2 | 7.6 Ų | 7.6 | 2% | 0.021 | 5% | 0.051 | C | C | . | . | trans | -72.9 | 98.2 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | F271 P272 H276 | F271-G274 WeakPolarHBondContact O-CA 3.33Å; F271-G274 PolarHBondContact O-N 2.83Å; P272-G274 PolarHBondContact O-N 3.15Å; G274-H276 PolarHBondContact O-N 2.94Å; G274-H276 PolarHBondContact O-ND1 3.21Å | ||
| 275 | Y | 98.8 | Very high | 98.6 | Very high | 12 Ų | 12 | 5.1 Ų | 5.1 | 5% | 0.047 | 3% | 0.03 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 132.3 | 177.1 | -92.5 | -77.6 | 0 | 0 | 0 | 110.5 | H188 T189 S210 V211 L219 E220 L238 Y273 | H188-Y275 VanDerWaalsContact C-CD1 3.47Å; H188-Y275 WeakPolarHBondContact O-CA 3.3Å; H188-Y275 WeakPolarHBondContact O-CD1 3.2Å; T189-Y275 HydrophobicContact CG2-CD1 3.85Å; T189-Y275 HydrophobicContact CG2-CD2 3.66Å; T189-Y275 HydrophobicContact CG2-CE1 3.91Å; T189-Y275 HydrophobicContact CG2-CE2 3.76Å; T189-Y275 HydrophobicContact CG2-CG 3.71Å; S210-Y275 CarbonylContact C-O 3.51Å; S210-Y275 WeakPolarHBondContact CA-O 3.5Å; S210-Y275 PolarHBondContact OG-O 2.85Å; V211-Y275 PolarHBondContact N-O 3.45Å; L219-Y275 HydrophobicContact CD2-CD1 3.8Å; L219-Y275 HydrophobicContact CD2-CD2 4.29Å; L219-Y275 HydrophobicContact CD2-CG 3.66Å; E220-Y275 HydrophobicContact CG-CE2 4.15Å; E220-Y275 WeakPolarHBondContact CG-OH 3.45Å; L238-Y275 HydrophobicContact CB-CE1 4.17Å; L238-Y275 HydrophobicContact CD1-CD1 4.49Å; L238-Y275 HydrophobicContact CD1-CE1 3.59Å; Y273-Y275 HydrophobicContact CD2-CE2 4.4Å; Y273-Y275 AromaticContact CE2-CE2 3.77Å; Y273-Y275 HydrophobicContact CE2-CE2 3.77Å; Y273-Y275 AromaticContact CZ-CE2 3.95Å; Y273-Y275 PolarHBondContact O-N 3.35Å |
| 276 | H | 98.8 | Very high | 98.6 | Very high | 4 Ų | 4 | 4.1 Ų | 4.1 | 2% | 0.019 | 2% | 0.02 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 158 | 179.8 | 63.5 | -90.6 | 0 | 0 | 0 | 112.7 | F185 A186 W187 H188 E190 W208 Y209 G274 | F185-H276 AromaticContact CE2-CD2 4Å; A186-H276 VanDerWaalsContact O-O 3.11Å; W187-H276 WeakPolarHBondContact CA-O 3.3Å; H188-H276 AromaticContact CE1-CD2 3.9Å; H188-H276 AromaticContact CE1-CE1 3.98Å; H188-H276 AromaticContact CE1-NE2 3.23Å; H188-H276 PolarHBondContact CE1-NE2 2.96Å; H188-H276 PolarHBondContact N-O 2.93Å; H188-H276 VanDerWaalsContact N-O 3.12Å; H188-H276 AromaticContact ND1-NE2 3.84Å; H188-H276 AromaticContact NE2-NE2 3.7Å; H188-H276 PolarHBondContact O-N 3.35Å; E190-H276 IonicContact OE1-CE1 2.71Å; E190-H276 PolarHBondContact OE1-CE1 2.82Å; E190-H276 VanDerWaalsContact OE1-CE1 3.26Å; E190-H276 IonicContact OE1-NE2 3.15Å; W208-H276 AromaticContact CZ3-CD2 3.76Å; Y209-H276 WeakPolarHBondContact O-CA 3.44Å; Y209-H276 WeakPolarHBondContact O-CB 3.45Å; G274-H276 PolarHBondContact O-N 2.94Å; G274-H276 PolarHBondContact O-ND1 3.21Å |
| 277 | A | 98.8 | Very high | 98.6 | Very high | 1 Ų | 1 | 3.1 Ų | 3.1 | 1% | 0.008 | 2% | 0.015 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 166.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | F185 W187 W208 Y209 | F185-A277 CarbonylContact O-C 3.44Å; F185-A277 WeakPolarHBondContact O-CA 3.37Å; W187-A277 HydrophobicContact CB-CB 4.42Å; W187-A277 HydrophobicContact CD2-CB 3.49Å; W187-A277 VanDerWaalsContact CD2-CB 3.49Å; W187-A277 HydrophobicContact CE3-CB 3.95Å; W187-A277 HydrophobicContact CG-CB 3.72Å; W187-A277 HydrophobicContact CH2-CB 4.45Å; W187-A277 HydrophobicContact CZ2-CB 4.02Å; W187-A277 HydrophobicContact CZ3-CB 4.41Å; W208-A277 CarbonylContact C-O 3.47Å; Y209-A277 PolarHBondContact N-O 3.22Å; Y209-A277 PolarHBondContact O-N 2.9Å; Y209-A277 VanDerWaalsContact O-N 3.11Å |
| 278 | G | 98.4 | Very high | 98.5 | Very high | 2 Ų | 2 | 3.9 Ų | 3.9 | 2% | 0.021 | 2% | 0.021 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 173.3 | -172.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | S184 F185 S207 | S184-G278 WeakPolarHBondContact CA-O 3.41Å; F185-G278 WeakPolarHBondContact CD1-O 3.28Å; F185-G278 VanDerWaalsContact CE2-N 3.32Å; F185-G278 PolarHBondContact N-O 3.44Å; F185-G278 PolarHBondContact O-N 3.08Å; S207-G278 CarbonylContact O-C 3.52Å; S207-G278 WeakPolarHBondContact O-CA 3.48Å |
| 279 | F | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 4.2 Ų | 4.2 | 0% | 0 | 2% | 0.023 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 152.9 | -176.6 | 67.1 | -84.3 | 0 | 0 | 0 | 112.9 | F114 Y121 W181 T183 S207 Y209 H281 | F114-F279 AromaticContact CE2-CZ 3.96Å; F114-F279 HydrophobicContact CE2-CZ 3.96Å; Y121-F279 HydrophobicContact CD1-CB 4.46Å; Y121-F279 AromaticContact CD1-CD1 3.47Å; Y121-F279 HydrophobicContact CD1-CD1 3.47Å; Y121-F279 VanDerWaalsContact CD1-CD1 3.47Å; Y121-F279 HydrophobicContact CD1-CD2 4.35Å; Y121-F279 AromaticContact CD1-CE1 3.69Å; Y121-F279 HydrophobicContact CD1-CE1 3.69Å; Y121-F279 AromaticContact CD1-CG 3.84Å; Y121-F279 HydrophobicContact CD1-CG 3.84Å; Y121-F279 HydrophobicContact CD1-CZ 4.21Å; Y121-F279 HydrophobicContact CD2-CB 3.94Å; Y121-F279 HydrophobicContact CD2-CD1 4.33Å; Y121-F279 AromaticContact CD2-CD2 4Å; Y121-F279 HydrophobicContact CD2-CD2 4Å; Y121-F279 AromaticContact CD2-CG 3.82Å; Y121-F279 HydrophobicContact CD2-CG 3.82Å; Y121-F279 HydrophobicContact CE1-CB 4.19Å; Y121-F279 AromaticContact CE1-CD1 3.6Å; Y121-F279 HydrophobicContact CE1-CD1 3.6Å; Y121-F279 HydrophobicContact CE1-CE1 4.21Å; Y121-F279 AromaticContact CE1-CG 3.99Å; Y121-F279 HydrophobicContact CE1-CG 3.99Å; Y121-F279 HydrophobicContact CE2-CB 3.66Å; Y121-F279 HydrophobicContact CE2-CD1 4.45Å; Y121-F279 AromaticContact CE2-CG 4Å; Y121-F279 HydrophobicContact CE2-CG 4Å; Y121-F279 HydrophobicContact CG-CB 4.35Å; Y121-F279 AromaticContact CG-CD1 3.87Å; Y121-F279 HydrophobicContact CG-CD1 3.87Å; Y121-F279 AromaticContact CG-CD2 3.89Å; Y121-F279 HydrophobicContact CG-CD2 3.89Å; Y121-F279 HydrophobicContact CG-CE1 4.11Å; Y121-F279 HydrophobicContact CG-CE2 4.12Å; Y121-F279 AromaticContact CG-CG 3.76Å; Y121-F279 HydrophobicContact CG-CG 3.76Å; Y121-F279 HydrophobicContact CG-CZ 4.22Å; W181-F279 HydrophobicContact CZ3-CD2 4.21Å; W181-F279 HydrophobicContact CZ3-CE2 4.08Å; T183-F279 CarbonylContact O-C 3.29Å; T183-F279 WeakPolarHBondContact O-CA 3.45Å; S207-F279 PolarHBondContact N-O 2.89Å; S207-F279 PolarHBondContact O-N 3.43Å; Y209-F279 HydrophobicContact CE2-CD1 4.34Å; Y209-F279 HydrophobicContact CE2-CE1 4.27Å; F279-H281 AromaticContact CE2-CD2 3.94Å |
| 280 | N | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 4.9 Ų | 4.9 | 0% | 0 | 3% | 0.026 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 142 | 174.1 | -60.3 | -70.8 | 0 | 0 | 0 | 111.5 | Y132 K182 T183 K206 N284 | Y132-N280 WeakPolarHBondContact CE2-ND2 3.24Å; K182-N280 PolarHBondContact N-O 2.91Å; K182-N280 VanDerWaalsContact N-O 3.09Å; T183-N280 PolarHBondContact O-N 2.87Å; T183-N280 PolarHBondContact O-ND2 2.98Å; T183-N280 VanDerWaalsContact O-ND2 3.12Å; T183-N280 PolarHBondContact OG1-ND2 2.89Å; K206-N280 WeakPolarHBondContact CG-OD1 3.46Å; K206-N280 PolarHBondContact NZ-OD1 2.95Å; N280-N284 PolarHBondContact OD1-ND2 2.94Å; N280-N284 PolarHBondContact OD1-OD1 3.19Å |
| 281 | H | 98.6 | Very high | 98 | Very high | 4 Ų | 4 | 4.9 Ų | 4.9 | 2% | 0.019 | 3% | 0.026 | C | C | . | . | trans | -78.5 | -31.7 | -177.4 | -71 | -151.2 | 0 | 0 | 0 | 112.3 | T108 F114 L117 W181 E204 P205 S207 F279 | T108-H281 WeakPolarHBondContact CB-O 3.19Å; T108-H281 WeakPolarHBondContact CG2-O 3.48Å; T108-H281 PolarHBondContact OG1-O 3.39Å; F114-H281 AromaticContact CD2-CE1 3.66Å; F114-H281 AromaticContact CD2-NE2 3.98Å; F114-H281 AromaticContact CE2-CE1 3.99Å; F114-H281 AromaticContact CE2-NE2 3.82Å; L117-H281 HydrophobicContact CD2-CB 3.88Å; L117-H281 VanDerWaalsContact CD2-ND1 3.35Å; L117-H281 WeakPolarHBondContact CD2-ND1 3.43Å; W181-H281 WeakPolarHBondContact CB-O 3.41Å; W181-H281 VanDerWaalsContact CE3-O 3.26Å; E204-H281 HydrophobicContact CB-CB 4.16Å; P205-H281 WeakPolarHBondContact O-CB 3.42Å; P205-H281 PolarHBondContact O-CD2 2.84Å; P205-H281 PolarHBondContact O-N 3.09Å; S207-H281 PolarHBondContact OG-NE2 2.8Å; F279-H281 AromaticContact CE2-CD2 3.94Å | ||
| 282 | G | 98.1 | Very high | 97.8 | Very high | 2 Ų | 2 | 5 Ų | 5 | 2% | 0.021 | 3% | 0.027 | C | C | . | . | S | Bend | trans | -171.4 | -151.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | T108 G179 M180 N284 | T108-G282 VanDerWaalsContact OG1-CA 3.29Å; T108-G282 WeakPolarHBondContact OG1-CA 3.41Å; G179-G282 CarbonylContact C-O 3.58Å; M180-G282 CarbonylContact C-O 3.57Å; M180-G282 WeakPolarHBondContact CA-O 3.48Å; G282-N284 PolarHBondContact O-N 3.15Å |
| 283 | F | 98.7 | Very high | 97.7 | Very high | 19 Ų | 19 | 5.5 Ų | 5.5 | 8% | 0.083 | 3% | 0.03 | C | C | . | . | S | Bend | trans | -67.2 | 120.5 | 178.3 | 175.1 | -106.7 | 0 | 0 | 0 | 111.6 | V94 F97 R98 A101 N102 G179 F202 G203 E204 | V94-F283 HydrophobicContact CG1-CZ 4.23Å; F97-F283 HydrophobicContact CD1-CD2 4.12Å; F97-F283 AromaticContact CD1-CE2 3.96Å; F97-F283 HydrophobicContact CD1-CE2 3.96Å; F97-F283 HydrophobicContact CE1-CD2 4.19Å; F97-F283 HydrophobicContact CE1-CE2 4.34Å; R98-F283 HydrophobicContact CB-CD1 4.48Å; R98-F283 HydrophobicContact CB-CD2 4.04Å; R98-F283 HydrophobicContact CB-CE1 4.16Å; R98-F283 HydrophobicContact CB-CE2 3.69Å; R98-F283 HydrophobicContact CB-CG 4.42Å; R98-F283 HydrophobicContact CB-CZ 3.75Å; R98-F283 HydrophobicContact CG-CD1 3.74Å; R98-F283 HydrophobicContact CG-CD2 4.08Å; R98-F283 HydrophobicContact CG-CE1 3.66Å; R98-F283 HydrophobicContact CG-CE2 4.02Å; R98-F283 HydrophobicContact CG-CG 3.95Å; R98-F283 HydrophobicContact CG-CZ 3.81Å; A101-F283 HydrophobicContact CB-CB 3.91Å; A101-F283 HydrophobicContact CB-CD2 4.03Å; A101-F283 HydrophobicContact CB-CG 4.37Å; N102-F283 WeakPolarHBondContact OD1-CB 3.47Å; G179-F283 VanDerWaalsContact O-CA 3.3Å; G179-F283 WeakPolarHBondContact O-CA 3.39Å; F202-F283 HydrophobicContact CD2-CE1 4.33Å; F202-F283 AromaticContact CE2-CE1 3.64Å; F202-F283 HydrophobicContact CE2-CE1 3.64Å; F202-F283 AromaticContact CE2-CZ 3.86Å; F202-F283 HydrophobicContact CE2-CZ 3.86Å; F202-F283 HydrophobicContact CZ-CZ 4.5Å; G203-F283 WeakPolarHBondContact CA-O 3.37Å; E204-F283 PolarHBondContact N-O 2.86Å |
| 284 | N | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 5% | 0.051 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 169.7 | 177.4 | 72.1 | 20.9 | 0 | 0 | 0 | 113.1 | F178 G179 L200 F202 E204 N280 G282 | F178-N284 CarbonylContact C-O 3.57Å; F178-N284 WeakPolarHBondContact CA-O 3.36Å; G179-N284 VanDerWaalsContact CA-OD1 3.28Å; G179-N284 WeakPolarHBondContact CA-OD1 3.21Å; G179-N284 PolarHBondContact N-O 2.92Å; G179-N284 PolarHBondContact N-OD1 3.23Å; G179-N284 PolarHBondContact O-N 2.87Å; G179-N284 VanDerWaalsContact O-N 3.15Å; L200-N284 HydrophobicContact CD1-CB 4.02Å; F202-N284 WeakPolarHBondContact O-CA 3.36Å; F202-N284 WeakPolarHBondContact O-CB 3.47Å; E204-N284 WeakPolarHBondContact O-CB 3.36Å; E204-N284 PolarHBondContact O-ND2 2.78Å; N280-N284 PolarHBondContact OD1-ND2 2.94Å; N280-N284 PolarHBondContact OD1-OD1 3.19Å; G282-N284 PolarHBondContact O-N 3.15Å |
| 285 | C | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 5% | 0.054 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 129.5 | 169.4 | -175.5 | 0 | 0 | 0 | 0 | 110.4 | Y177 F178 H201 F202 | Y177-C285 WeakPolarHBondContact O-CA 3.4Å; F178-C285 HydrophobicContact CD1-CB 3.9Å; F178-C285 HydrophobicContact CE1-CB 3.85Å; F178-C285 WeakPolarHBondContact CE1-SG 3.34Å; H201-C285 PolarHBondContact N-O 2.75Å; F202-C285 HydrophobicContact CD1-CB 4.17Å; F202-C285 HydrophobicContact CD2-CB 4.37Å; F202-C285 HydrophobicContact CE1-CB 3.45Å; F202-C285 VanDerWaalsContact CE1-CB 3.45Å; F202-C285 HydrophobicContact CE2-CB 3.67Å; F202-C285 HydrophobicContact CZ-CB 3.14Å; F202-C285 PolarHBondContact O-N 2.9Å; F202-C285 VanDerWaalsContact O-N 3.11Å |
| 286 | A | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 11.4 Ų | 11.4 | 0% | 0 | 5% | 0.052 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 151.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L176 Y177 Y199 L200 | L176-A286 CarbonylContact C-O 3.55Å; L176-A286 WeakPolarHBondContact CA-O 3.19Å; Y177-A286 PolarHBondContact N-O 2.87Å; Y177-A286 PolarHBondContact O-N 3.25Å; Y199-A286 CarbonylContact O-C 3.57Å; Y199-A286 WeakPolarHBondContact O-CA 3.37Å; Y199-A286 WeakPolarHBondContact O-CB 3.48Å; L200-A286 HydrophobicContact CD1-CB 3.87Å |
| 287 | E | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 5% | 0.051 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 139.9 | 172.3 | -174.6 | 172.7 | 144.3 | 0 | 0 | 109.5 | T139 L140 Y141 I150 P174 Y175 L176 N198 Y199 H201 | T139-E287 VanDerWaalsContact CA-OE2 3.22Å; T139-E287 WeakPolarHBondContact CA-OE2 3.34Å; T139-E287 WeakPolarHBondContact CB-OE1 2.93Å; T139-E287 PolarHBondContact OG1-OE1 2.86Å; T139-E287 PolarHBondContact OG1-OE2 3.06Å; T139-E287 VanDerWaalsContact OG1-OE2 3.04Å; L140-E287 PolarHBondContact N-OE2 2.95Å; Y141-E287 WeakPolarHBondContact CD2-OE1 3.42Å; I150-E287 HydrophobicContact CB-CG 4.35Å; I150-E287 HydrophobicContact CD1-CB 4.16Å; I150-E287 HydrophobicContact CD1-CG 4.13Å; I150-E287 WeakPolarHBondContact CD1-O 3.29Å; I150-E287 HydrophobicContact CG2-CG 4.2Å; P174-E287 HydrophobicContact CB-CG 4.06Å; P174-E287 WeakPolarHBondContact CB-OE1 3.32Å; Y175-E287 WeakPolarHBondContact O-CA 3.47Å; L176-E287 HydrophobicContact CD2-CB 3.73Å; L176-E287 HydrophobicContact CD2-CG 3.76Å; L176-E287 WeakPolarHBondContact CD2-OE2 3.3Å; N198-E287 CarbonylContact C-O 3.56Å; N198-E287 WeakPolarHBondContact CA-O 3.12Å; Y199-E287 PolarHBondContact N-O 3.22Å; Y199-E287 PolarHBondContact O-N 2.87Å; H201-E287 IonicContact CE1-OE2 3.83Å; H201-E287 WeakPolarHBondContact NE2-CB 3.07Å; H201-E287 IonicContact NE2-OE2 3.01Å; H201-E287 PolarHBondContact NE2-OE2 2.81Å |
| 288 | S | 96.2 | Very high | 97.2 | Very high | 17 Ų | 17 | 12.3 Ų | 12.3 | 12% | 0.119 | 6% | 0.056 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 157.4 | 175.3 | 35.2 | 0 | 0 | 0 | 0 | 114.2 | Y175 Y177 I197 N198 | Y175-S288 PolarHBondContact N-O 3.41Å; Y175-S288 PolarHBondContact O-N 3.15Å; Y177-S288 WeakPolarHBondContact CE2-OG 3.41Å; I197-S288 WeakPolarHBondContact O-CA 3.4Å; I197-S288 WeakPolarHBondContact O-CB 3.28Å; N198-S288 WeakPolarHBondContact ND2-CB 3.34Å; N198-S288 PolarHBondContact ND2-OG 3.34Å; N198-S288 VanDerWaalsContact ND2-OG 3.08Å |
| 289 | T | 95.3 | Very high | 97.1 | Very high | 7 Ų | 7 | 12.6 Ų | 12.6 | 4% | 0.043 | 6% | 0.056 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 172.8 | 167.8 | -159.2 | 0 | 0 | 0 | 0 | 109.9 | I150 L153 G170 T173 S196 I197 | I150-T289 HydrophobicContact CG2-CG2 3.57Å; I150-T289 WeakPolarHBondContact O-CG2 3.36Å; L153-T289 HydrophobicContact CD1-CG2 3.68Å; G170-T289 PolarHBondContact O-OG1 3.12Å; T173-T289 WeakPolarHBondContact O-CB 3.46Å; T173-T289 PolarHBondContact O-OG1 3.23Å; S196-T289 WeakPolarHBondContact CA-O 3.26Å; I197-T289 HydrophobicContact CG2-CG2 4.29Å; I197-T289 PolarHBondContact N-O 2.85Å; I197-T289 VanDerWaalsContact N-O 3.13Å; I197-T289 PolarHBondContact O-N 2.96Å |
| 290 | N | 95.3 | Very high | 97 | Very high | 14 Ų | 14 | 12.8 Ų | 12.8 | 8% | 0.075 | 6% | 0.058 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 157.3 | 173.6 | -62.5 | 119.6 | 0 | 0 | 0 | 112.7 | V171 E190 L194 Y195 | V171-N290 HydrophobicContact CG1-CB 4.2Å; V171-N290 WeakPolarHBondContact O-CB 3.45Å; E190-N290 VanDerWaalsContact CD-ND2 3.29Å; E190-N290 WeakPolarHBondContact CG-ND2 3.48Å; E190-N290 PolarHBondContact OE2-ND2 2.9Å; L194-N290 HydrophobicContact CB-CB 4.03Å; L194-N290 HydrophobicContact CD1-CB 3.74Å; L194-N290 HydrophobicContact CG-CB 4.43Å; Y195-N290 VanDerWaalsContact O-CA 3.23Å; Y195-N290 WeakPolarHBondContact O-CA 3.49Å; Y195-N290 WeakPolarHBondContact O-CB 3.36Å; Y195-N290 PolarHBondContact O-ND2 3.48Å |
| 291 | F | 95.4 | Very high | 96.8 | Very high | 2 Ų | 2 | 14.5 Ų | 14.5 | 1% | 0.009 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 171.4 | 173.9 | 72.8 | -89.5 | 0 | 0 | 0 | 112.4 | F27 I31 L153 T155 L194 Y195 I197 I269 | F27-F291 HydrophobicContact CE1-CD1 4.4Å; F27-F291 AromaticContact CE1-CD2 3.87Å; F27-F291 HydrophobicContact CE1-CD2 3.87Å; F27-F291 HydrophobicContact CE1-CE2 4.02Å; F27-F291 HydrophobicContact CE1-CG 4.08Å; F27-F291 HydrophobicContact CE1-CZ 4.34Å; F27-F291 AromaticContact CZ-CD1 3.97Å; F27-F291 HydrophobicContact CZ-CD1 3.97Å; F27-F291 HydrophobicContact CZ-CD2 4.01Å; F27-F291 AromaticContact CZ-CE1 3.75Å; F27-F291 HydrophobicContact CZ-CE1 3.75Å; F27-F291 AromaticContact CZ-CE2 3.8Å; F27-F291 HydrophobicContact CZ-CE2 3.8Å; F27-F291 HydrophobicContact CZ-CG 4.1Å; F27-F291 AromaticContact CZ-CZ 3.66Å; F27-F291 HydrophobicContact CZ-CZ 3.66Å; I31-F291 HydrophobicContact CD1-CE2 4.33Å; I31-F291 HydrophobicContact CD1-CZ 3.94Å; I31-F291 HydrophobicContact CG1-CE2 4.04Å; I31-F291 HydrophobicContact CG1-CZ 4.16Å; I31-F291 HydrophobicContact CG2-CE2 4.19Å; L153-F291 HydrophobicContact CD1-CB 3.94Å; L153-F291 HydrophobicContact CD1-CD1 4.33Å; L153-F291 HydrophobicContact CD1-CG 4.39Å; T155-F291 HydrophobicContact CG2-CB 3.92Å; T155-F291 HydrophobicContact CG2-CD2 4.24Å; T155-F291 HydrophobicContact CG2-CG 4.44Å; L194-F291 VanDerWaalsContact CD2-O 3.32Å; L194-F291 WeakPolarHBondContact CD2-O 3.25Å; Y195-F291 VanDerWaalsContact CB-CE1 3.44Å; Y195-F291 WeakPolarHBondContact CB-O 3.5Å; Y195-F291 AromaticContact CD1-CE2 3.74Å; Y195-F291 HydrophobicContact CD1-CE2 3.74Å; Y195-F291 AromaticContact CD1-CZ 3.67Å; Y195-F291 HydrophobicContact CD1-CZ 3.67Å; Y195-F291 HydrophobicContact CD2-CD2 4.26Å; Y195-F291 HydrophobicContact CD2-CE2 4.07Å; Y195-F291 WeakPolarHBondContact CD2-O 3.42Å; Y195-F291 HydrophobicContact CE1-CE2 4.42Å; Y195-F291 HydrophobicContact CG-CD2 4.06Å; Y195-F291 HydrophobicContact CG-CE1 4.26Å; Y195-F291 AromaticContact CG-CE2 3.56Å; Y195-F291 HydrophobicContact CG-CE2 3.56Å; Y195-F291 AromaticContact CG-CZ 3.68Å; Y195-F291 HydrophobicContact CG-CZ 3.68Å; Y195-F291 PolarHBondContact N-O 3.44Å; Y195-F291 VanDerWaalsContact N-O 3.17Å; Y195-F291 PolarHBondContact O-N 2.8Å; Y195-F291 VanDerWaalsContact O-N 3.09Å; I197-F291 HydrophobicContact CB-CD1 4.21Å; I197-F291 HydrophobicContact CB-CE1 4Å; I197-F291 HydrophobicContact CG2-CD1 4.13Å; I197-F291 HydrophobicContact CG2-CE1 4.43Å; I269-F291 HydrophobicContact CD1-CE1 4.2Å; I269-F291 HydrophobicContact CD1-CZ 4.37Å; I269-F291 HydrophobicContact CG2-CE1 4.39Å; I269-F291 HydrophobicContact CG2-CZ 4Å |
| 292 | A | 95.3 | Very high | 96.6 | Very high | 3 Ų | 3 | 18.6 Ų | 18.6 | 3% | 0.025 | 9% | 0.085 | C | C | . | . | trans | -138 | 144.8 | -176 | 0 | 0 | 0 | 0 | 0 | 114 | T155 I156 L157 L194 W296 | T155-A292 WeakPolarHBondContact CB-O 3.33Å; I156-A292 HydrophobicContact CD1-CB 4.25Å; I156-A292 HydrophobicContact CG1-CB 3.63Å; L157-A292 HydrophobicContact CB-CB 4.12Å; L194-A292 HydrophobicContact CD2-CB 3.9Å; A292-W296 HydrophobicContact CB-CD2 4.06Å; A292-W296 HydrophobicContact CB-CE3 3.59Å; A292-W296 HydrophobicContact CB-CG 4.47Å; A292-W296 HydrophobicContact CB-CZ3 4.14Å | ||
| 293 | T | 96 | Very high | 96.5 | Very high | 11 Ų | 11 | 19.3 Ų | 19.3 | 7% | 0.067 | 9% | 0.091 | C | C | . | . | trans | -116.2 | 173.8 | 163.1 | 77.2 | 0 | 0 | 0 | 0 | 109.5 | I31 I156 Y195 R295 W296 T347 | I31-T293 HydrophobicContact CG2-CG2 3.88Å; I156-T293 WeakPolarHBondContact CD1-O 3.39Å; Y195-T293 HydrophobicContact CE1-CG2 4.42Å; Y195-T293 HydrophobicContact CE2-CG2 3.78Å; Y195-T293 PolarHBondContact OH-OG1 3.28Å; T293-R295 PolarHBondContact O-N 2.88Å; T293-R295 PolarHBondContact OG1-N 3.42Å; T293-W296 PolarHBondContact O-N 2.64Å; T293-W296 VanDerWaalsContact O-N 3.15Å; T293-T347 WeakPolarHBondContact CB-OG1 3.43Å; T293-T347 PolarHBondContact OG1-OG1 2.96Å | ||
| 294 | R | 95 | Very high | 96.3 | Very high | 130 Ų | 130 | 21 Ų | 21 | 49% | 0.491 | 10% | 0.102 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -30.9 | 176.3 | -69.9 | 170.5 | -174.4 | -152.6 | 2.9 | 113.5 | W296 I297 F324 P348 E349 | R294-W296 VanDerWaalsContact C-N 3.31Å; R294-W296 PolarHBondContact O-N 2.78Å; R294-I297 WeakPolarHBondContact O-CB 3.36Å; R294-I297 WeakPolarHBondContact O-CG1 3.34Å; R294-I297 PolarHBondContact O-N 2.8Å; R294-F324 HydrophobicContact CG-CD1 4.32Å; R294-P348 HydrophobicContact CB-CG 4.16Å; R294-E349 WeakPolarHBondContact CB-OE1 3.49Å; R294-E349 WeakPolarHBondContact CG-OE1 3.48Å; R294-E349 PolarHBondContact N-OE1 3.48Å |
| 295 | R | 96.9 | Very high | 96 | Very high | 24 Ų | 24 | 23.3 Ų | 23.3 | 9% | 0.091 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -37.8 | 176.6 | -166.8 | 168.7 | 65.6 | 78.3 | 3.6 | 113.2 | E35 Y195 T293 I297 Y299 L345 T347 | E35-R295 IonicContact OE1-CZ 3.95Å; E35-R295 VanDerWaalsContact OE1-CZ 3.31Å; E35-R295 IonicContact OE1-NE 3.69Å; E35-R295 PolarHBondContact OE1-NE 2.87Å; E35-R295 IonicContact OE1-NH2 2.77Å; E35-R295 PolarHBondContact OE1-NH2 2.92Å; E35-R295 IonicContact OE2-CZ 2.86Å; E35-R295 IonicContact OE2-NE 3.65Å; E35-R295 PolarHBondContact OE2-NE 2.88Å; E35-R295 IonicContact OE2-NH2 3.46Å; Y195-R295 PolarHBondContact OH-NH2 2.92Å; T293-R295 PolarHBondContact O-N 2.88Å; T293-R295 PolarHBondContact OG1-N 3.42Å; R295-I297 PolarHBondContact O-N 3.23Å; R295-I297 VanDerWaalsContact O-N 3.16Å; R295-Y299 HydrophobicContact CG-CE2 4.24Å; R295-Y299 PolarHBondContact NH1-OH 2.95Å; R295-Y299 WeakPolarHBondContact O-CD2 3.42Å; R295-L345 VanDerWaalsContact CD-O 3.22Å; R295-L345 WeakPolarHBondContact CD-O 3.44Å; R295-T347 WeakPolarHBondContact CB-OG1 3.15Å; R295-T347 PolarHBondContact N-OG1 3.39Å |
| 296 | W | 97.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -62.3 | -22.9 | -178.7 | 164.5 | 75.2 | 0 | 0 | 0 | 112.9 | M192 L194 Y195 P272 A292 T293 R294 E298 Y299 G300 M317 F320 | M192-W296 HydrophobicContact CB-CZ2 4Å; M192-W296 PolarHBondContact O-NE1 3.11Å; L194-W296 HydrophobicContact CD2-CD2 3.64Å; L194-W296 HydrophobicContact CD2-CE3 4.2Å; L194-W296 HydrophobicContact CD2-CG 4.07Å; L194-W296 HydrophobicContact CD2-CH2 4.11Å; L194-W296 HydrophobicContact CD2-CZ2 3.58Å; L194-W296 HydrophobicContact CD2-CZ3 4.41Å; L194-W296 HydrophobicContact CG-CZ2 3.94Å; Y195-W296 HydrophobicContact CD2-CB 4.33Å; Y195-W296 HydrophobicContact CE2-CB 3.89Å; P272-W296 HydrophobicContact CG-CB 4.06Å; A292-W296 HydrophobicContact CB-CD2 4.06Å; A292-W296 HydrophobicContact CB-CE3 3.59Å; A292-W296 HydrophobicContact CB-CG 4.47Å; A292-W296 HydrophobicContact CB-CZ3 4.14Å; T293-W296 PolarHBondContact O-N 2.64Å; T293-W296 VanDerWaalsContact O-N 3.15Å; R294-W296 VanDerWaalsContact C-N 3.31Å; R294-W296 PolarHBondContact O-N 2.78Å; W296-E298 VanDerWaalsContact C-N 3.26Å; W296-E298 PolarHBondContact O-N 2.89Å; W296-E298 VanDerWaalsContact O-N 3.15Å; W296-Y299 CarbonylContact O-C 3.53Å; W296-Y299 WeakPolarHBondContact O-CA 3.42Å; W296-Y299 WeakPolarHBondContact O-CB 3.48Å; W296-Y299 PolarHBondContact O-N 2.99Å; W296-G300 PolarHBondContact O-N 2.92Å; W296-M317 HydrophobicContact CE3-CE 4.39Å; W296-M317 HydrophobicContact CH2-CE 3.61Å; W296-M317 HydrophobicContact CH2-SD 3.54Å; W296-M317 VanDerWaalsContact CH2-SD 3.54Å; W296-M317 HydrophobicContact CZ2-CE 4.06Å; W296-M317 HydrophobicContact CZ2-SD 3.85Å; W296-M317 HydrophobicContact CZ3-CE 3.78Å; W296-M317 HydrophobicContact CZ3-SD 4.29Å; W296-F320 HydrophobicContact CH2-CD2 4.07Å; W296-F320 HydrophobicContact CH2-CE1 4.48Å; W296-F320 AromaticContact CH2-CE2 3.6Å; W296-F320 HydrophobicContact CH2-CE2 3.6Å; W296-F320 AromaticContact CH2-CZ 3.82Å; W296-F320 HydrophobicContact CH2-CZ 3.82Å; W296-F320 AromaticContact CZ3-CD1 3.95Å; W296-F320 HydrophobicContact CZ3-CD1 3.95Å; W296-F320 AromaticContact CZ3-CD2 3.87Å; W296-F320 HydrophobicContact CZ3-CD2 3.87Å; W296-F320 AromaticContact CZ3-CE1 3.67Å; W296-F320 HydrophobicContact CZ3-CE1 3.67Å; W296-F320 AromaticContact CZ3-CE2 3.56Å; W296-F320 HydrophobicContact CZ3-CE2 3.56Å; W296-F320 HydrophobicContact CZ3-CG 4.02Å; W296-F320 AromaticContact CZ3-CZ 3.44Å; W296-F320 HydrophobicContact CZ3-CZ 3.44Å; W296-F320 VanDerWaalsContact CZ3-CZ 3.44Å |
| 297 | I | 95.4 | Very high | 95.2 | Very high | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -57.9 | -37 | -174 | -60.5 | 176.7 | 0 | 0 | 0 | 112 | I156 R294 R295 K301 M317 F320 V321 F324 | I156-I297 HydrophobicContact CD1-CD1 3.92Å; I156-I297 HydrophobicContact CD1-CG1 4.07Å; R294-I297 WeakPolarHBondContact O-CB 3.36Å; R294-I297 WeakPolarHBondContact O-CG1 3.34Å; R294-I297 PolarHBondContact O-N 2.8Å; R295-I297 PolarHBondContact O-N 3.23Å; R295-I297 VanDerWaalsContact O-N 3.16Å; I297-K301 HydrophobicContact CG2-CD 4.04Å; I297-K301 WeakPolarHBondContact O-CD 3.1Å; I297-K301 WeakPolarHBondContact O-CG 3.22Å; I297-K301 PolarHBondContact O-N 2.92Å; I297-K301 VanDerWaalsContact O-N 3.16Å; I297-M317 HydrophobicContact CG2-CE 4.28Å; I297-M317 WeakPolarHBondContact O-CE 3.13Å; I297-F320 HydrophobicContact CD1-CB 4.21Å; I297-F320 HydrophobicContact CD1-CD1 4.5Å; I297-F320 HydrophobicContact CG1-CB 4.23Å; I297-F320 HydrophobicContact CG1-CD1 4.47Å; I297-F320 HydrophobicContact CG2-CB 4.17Å; I297-V321 HydrophobicContact CG2-CG2 4.25Å; I297-F324 HydrophobicContact CD1-CB 3.54Å; I297-F324 HydrophobicContact CD1-CD2 3.56Å; I297-F324 HydrophobicContact CD1-CE2 4.49Å; I297-F324 HydrophobicContact CD1-CG 3.77Å |
| 298 | E | 97 | Very high | 94.8 | Very high | 23 Ų | 23 | 31.9 Ų | 31.9 | 11% | 0.107 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -68.6 | -39.3 | 172.7 | -64.6 | -57.5 | 157.3 | 0 | 0 | 113.2 | W296 K301 Q302 Q325 R328 I341 | W296-E298 VanDerWaalsContact C-N 3.26Å; W296-E298 PolarHBondContact O-N 2.89Å; W296-E298 VanDerWaalsContact O-N 3.15Å; E298-K301 VanDerWaalsContact CD-NZ 3.27Å; E298-K301 PolarHBondContact O-N 2.87Å; E298-K301 IonicContact OE1-NZ 2.98Å; E298-K301 PolarHBondContact OE1-NZ 3.26Å; E298-K301 WeakPolarHBondContact OE2-CE 3.12Å; E298-K301 IonicContact OE2-NZ 3.81Å; E298-K301 PolarHBondContact OE2-NZ 3.15Å; E298-Q302 WeakPolarHBondContact O-CG 3.49Å; E298-Q302 PolarHBondContact O-N 2.83Å; E298-Q302 VanDerWaalsContact O-N 3.17Å; E298-Q325 PolarHBondContact OE1-NE2 2.87Å; E298-Q325 PolarHBondContact OE1-OE1 2.97Å; E298-R328 IonicContact OE1-CZ 3.03Å; E298-R328 IonicContact OE1-NH1 2.65Å; E298-R328 PolarHBondContact OE1-NH1 2.84Å; E298-R328 IonicContact OE1-NH2 3.83Å; E298-R328 PolarHBondContact OE1-NH2 2.92Å; E298-R328 IonicContact OE2-NH2 3.85Å; E298-R328 PolarHBondContact OE2-NH2 3.14Å; E298-I341 HydrophobicContact CB-CD1 4.13Å; E298-I341 HydrophobicContact CB-CG1 3.91Å |
| 299 | Y | 97.7 | Very high | 94.3 | Very high | 8 Ų | 8 | 36 Ų | 36 | 3% | 0.031 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.1 | -49.7 | 177 | -69.6 | -102.7 | 0 | 0 | 0 | 110.7 | P272 R295 W296 K301 Q302 A303 I341 H343 | P272-Y299 HydrophobicContact CB-CD1 3.57Å; P272-Y299 HydrophobicContact CB-CD2 3.86Å; P272-Y299 HydrophobicContact CB-CE1 3.81Å; P272-Y299 HydrophobicContact CB-CE2 4.11Å; P272-Y299 HydrophobicContact CB-CG 3.57Å; P272-Y299 WeakPolarHBondContact O-CE1 3.48Å; R295-Y299 HydrophobicContact CG-CE2 4.24Å; R295-Y299 PolarHBondContact NH1-OH 2.95Å; R295-Y299 WeakPolarHBondContact O-CD2 3.42Å; W296-Y299 CarbonylContact O-C 3.53Å; W296-Y299 WeakPolarHBondContact O-CA 3.42Å; W296-Y299 WeakPolarHBondContact O-CB 3.48Å; W296-Y299 PolarHBondContact O-N 2.99Å; Y299-K301 VanDerWaalsContact C-N 3.25Å; Y299-K301 PolarHBondContact O-N 3.25Å; Y299-Q302 CarbonylContact O-C 3.57Å; Y299-Q302 PolarHBondContact O-N 3.4Å; Y299-A303 WeakPolarHBondContact O-CB 3.22Å; Y299-A303 PolarHBondContact O-N 2.87Å; Y299-I341 HydrophobicContact CD1-CD1 4.17Å; Y299-I341 HydrophobicContact CD2-CD1 4.2Å; Y299-I341 HydrophobicContact CD2-CG2 4.34Å; Y299-I341 HydrophobicContact CE1-CG2 4.1Å; Y299-I341 HydrophobicContact CE2-CG2 3.66Å; Y299-I341 HydrophobicContact CG-CD1 4.03Å; Y299-H343 AromaticContact CE1-CE1 3.9Å; Y299-H343 AromaticContact CE1-ND1 3.68Å; Y299-H343 AromaticContact CZ-ND1 3.62Å; Y299-H343 PolarHBondContact OH-ND1 3.18Å |
| 300 | G | 95.1 | Very high | 93.5 | Very high | 4 Ų | 4 | 45.9 Ų | 45.9 | 4% | 0.041 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.5 | -28.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114 | M192 W296 Q302 M317 | M192-G300 WeakPolarHBondContact CE-O 3.36Å; W296-G300 PolarHBondContact O-N 2.92Å; G300-Q302 VanDerWaalsContact C-N 3.34Å; G300-M317 WeakPolarHBondContact O-CG 3.48Å |
| 301 | K | 95 | Very high | 92.7 | Very high | 36 Ų | 36 | 51 Ų | 51 | 16% | 0.157 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -72 | -25.4 | 172.3 | -71.7 | 157.9 | 70.4 | -169.2 | 0 | 113.3 | I297 E298 Y299 M317 V321 D337 | I297-K301 HydrophobicContact CG2-CD 4.04Å; I297-K301 WeakPolarHBondContact O-CD 3.1Å; I297-K301 WeakPolarHBondContact O-CG 3.22Å; I297-K301 PolarHBondContact O-N 2.92Å; I297-K301 VanDerWaalsContact O-N 3.16Å; E298-K301 VanDerWaalsContact CD-NZ 3.27Å; E298-K301 PolarHBondContact O-N 2.87Å; E298-K301 IonicContact OE1-NZ 2.98Å; E298-K301 PolarHBondContact OE1-NZ 3.26Å; E298-K301 WeakPolarHBondContact OE2-CE 3.12Å; E298-K301 IonicContact OE2-NZ 3.81Å; E298-K301 PolarHBondContact OE2-NZ 3.15Å; Y299-K301 VanDerWaalsContact C-N 3.25Å; Y299-K301 PolarHBondContact O-N 3.25Å; K301-M317 HydrophobicContact CG-CB 4.29Å; K301-M317 HydrophobicContact CG-CE 4.34Å; K301-M317 HydrophobicContact CG-CG 4.43Å; K301-V321 HydrophobicContact CD-CG2 3.66Å; K301-V321 HydrophobicContact CG-CG2 3.95Å; K301-D337 VanDerWaalsContact CE-OD2 3.28Å; K301-D337 WeakPolarHBondContact CE-OD2 3.49Å; K301-D337 IonicContact NZ-OD2 3.27Å; K301-D337 PolarHBondContact NZ-OD2 2.87Å |
| 302 | Q | 95.4 | Very high | 92 | Very high | 90 Ų | 90 | 53 Ų | 53 | 42% | 0.421 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -113.9 | -1.6 | -172.3 | -60.4 | -176.4 | 37 | 0 | 0 | 113.5 | E298 Y299 G300 V304 T339 I341 | E298-Q302 WeakPolarHBondContact O-CG 3.49Å; E298-Q302 PolarHBondContact O-N 2.83Å; E298-Q302 VanDerWaalsContact O-N 3.17Å; Y299-Q302 CarbonylContact O-C 3.57Å; Y299-Q302 PolarHBondContact O-N 3.4Å; G300-Q302 VanDerWaalsContact C-N 3.34Å; Q302-V304 PolarHBondContact O-N 3.15Å; Q302-T339 PolarHBondContact NE2-O 3.19Å; Q302-I341 HydrophobicContact CB-CD1 4.25Å; Q302-I341 HydrophobicContact CG-CD1 4.4Å |
| 303 | A | 95 | Very high | 91.4 | Very high | 17 Ų | 17 | 54.4 Ų | 54.4 | 14% | 0.14 | 27% | 0.274 | C | S | . | . | trans | -60.1 | 117.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112 | D193 Y299 L305 | D193-A303 HydrophobicContact CB-CB 4.33Å; D193-A303 WeakPolarHBondContact OD2-CA 3.09Å; D193-A303 VanDerWaalsContact OD2-CB 3.3Å; D193-A303 WeakPolarHBondContact OD2-CB 3.21Å; Y299-A303 WeakPolarHBondContact O-CB 3.22Å; Y299-A303 PolarHBondContact O-N 2.87Å; A303-L305 HydrophobicContact CB-CD2 4.14Å; A303-L305 PolarHBondContact O-N 3.1Å | ||
| 304 | V | 94.1 | Very high | 90.8 | Very high | 54 Ų | 54 | 61.8 Ų | 61.8 | 33% | 0.327 | 31% | 0.305 | S | S | . | . | trans | -79 | 109.9 | 176.1 | -172.5 | 0 | 0 | 0 | 0 | 108.4 | E235 A236 R239 Q302 | E235-V304 HydrophobicContact CG-CG1 4.41Å; A236-V304 HydrophobicContact CB-CG1 4.28Å; A236-V304 WeakPolarHBondContact CB-O 3.16Å; R239-V304 PolarHBondContact NE-O 2.92Å; R239-V304 PolarHBondContact NH2-O 3.32Å; Q302-V304 PolarHBondContact O-N 3.15Å | ||
| 305 | L | 92.4 | Very high | 90.3 | Very high | 49 Ų | 49 | 56.1 Ų | 56.1 | 26% | 0.257 | 29% | 0.285 | S | S | . | . | trans | -88.1 | 163.1 | -175.1 | -53.9 | -175.7 | 0 | 0 | 0 | 112.6 | M192 A236 A303 K314 | M192-L305 HydrophobicContact SD-CD1 3.88Å; M192-L305 HydrophobicContact SD-CD2 3.71Å; M192-L305 HydrophobicContact SD-CG 4.41Å; A236-L305 WeakPolarHBondContact CB-O 3.28Å; A303-L305 HydrophobicContact CB-CD2 4.14Å; A303-L305 PolarHBondContact O-N 3.1Å; L305-K314 HydrophobicContact CD1-CB 4.45Å; L305-K314 HydrophobicContact CD1-CD 4.32Å; L305-K314 HydrophobicContact CD1-CG 4.01Å | ||
| 306 | C | 92.4 | Very high | 89.9 | Confident | 15 Ų | 15 | 58.8 Ų | 58.8 | 10% | 0.101 | 31% | 0.307 | C | S | . | . | trans | -65.9 | 139.6 | 168.9 | 178.9 | 0 | 0 | 0 | 0 | 110.4 | C234 H240 C308 M312 | C234-C306 VanDerWaalsContact SG-SG 3.63Å; H240-C306 PolarHBondContact NE2-SG 3.14Å; C306-C308 VanDerWaalsContact SG-SG 3.66Å; C306-M312 HydrophobicContact CB-CB 4.5Å; C306-M312 HydrophobicContact CB-CG 3.73Å; C306-M312 HydrophobicContact CB-SD 3.36Å; C306-M312 WeakPolarHBondContact CB-SD 3.45Å | ||
| 307 | S | 89.4 | Confident | 89.5 | Confident | 94 Ų | 94 | 59.3 Ų | 59.3 | 66% | 0.657 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -113.8 | -10.5 | -178.7 | 55.8 | 0 | 0 | 0 | 0 | 114.5 | C234 | C234-S307 PolarHBondContact SG-N 3.28Š|
| 308 | C | 89.9 | Confident | 89.3 | Confident | 70 Ų | 70 | 60.5 Ų | 60.5 | 47% | 0.473 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -100.9 | -3 | -176.7 | 71.3 | 0 | 0 | 0 | 0 | 114.4 | C234 H240 C306 | C234-C308 HydrophobicContact CB-CB 4.31Å; H240-C308 PolarHBondContact NE2-SG 3.34Å; C306-C308 VanDerWaalsContact SG-SG 3.66Å |
| 309 | R | 84.3 | Confident | 88.8 | Confident | 104 Ų | 104 | 60.8 Ų | 60.8 | 39% | 0.392 | 32% | 0.319 | S | S | . | . | trans | -123.2 | 146.8 | 177.9 | -74.2 | -167.5 | -167.5 | -172.4 | 6.2 | 110.5 | D311 M312 | R309-D311 WeakPolarHBondContact CB-OD1 3.46Å; R309-D311 WeakPolarHBondContact CD-OD2 3.27Å; R309-M312 HydrophobicContact CB-CG 3.63Å | ||
| 310 | K | 79.1 | Confident | 88.4 | Confident | 215 Ų | 215 | 60.6 Ų | 60.6 | 94% | 0.935 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -100.3 | -23.5 | -179.5 | -71.1 | -178 | 174.8 | 179.4 | 0 | 112.6 | M312 | K310-M312 PolarHBondContact O-N 2.94Š|
| 311 | D | 77.4 | Confident | 88.3 | Confident | 120 Ų | 120 | 60.4 Ų | 60.4 | 64% | 0.642 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -74.3 | 7.9 | 176.2 | 47.4 | -64.4 | 0 | 0 | 0 | 114.1 | R309 | R309-D311 WeakPolarHBondContact CB-OD1 3.46Å; R309-D311 WeakPolarHBondContact CD-OD2 3.27Å |
| 312 | M | 81.1 | Confident | 88 | Confident | 45 Ų | 45 | 64.4 Ų | 64.4 | 22% | 0.222 | 33% | 0.33 | C | S | . | . | trans | -88.3 | 136.8 | -176.2 | -70.3 | -99.2 | 51 | 0 | 0 | 112.4 | C306 R309 K310 K314 | C306-M312 HydrophobicContact CB-CB 4.5Å; C306-M312 HydrophobicContact CB-CG 3.73Å; C306-M312 HydrophobicContact CB-SD 3.36Å; C306-M312 WeakPolarHBondContact CB-SD 3.45Å; R309-M312 HydrophobicContact CB-CG 3.63Å; K310-M312 PolarHBondContact O-N 2.94Å; M312-K314 PolarHBondContact O-N 3.03Å | ||
| 313 | V | 82.1 | Confident | 87.6 | Confident | 32 Ų | 32 | 64.1 Ų | 64.1 | 19% | 0.194 | 33% | 0.328 | C | S | . | . | trans | -54.4 | 132.3 | 175.5 | 172.5 | 0 | 0 | 0 | 0 | 110.8 | I168 V171 D191 I315 | I168-V313 HydrophobicContact CG2-CG1 4.21Å; I168-V313 HydrophobicContact CG2-CG2 4.2Å; V171-V313 HydrophobicContact CG2-CG1 4.02Å; V171-V313 HydrophobicContact CG2-CG2 3.89Å; D191-V313 HydrophobicContact CB-CB 3.87Å; D191-V313 HydrophobicContact CB-CG1 3.95Å; D191-V313 HydrophobicContact CB-CG2 4.35Å; V313-I315 HydrophobicContact CG1-CG1 4.34Å | ||
| 314 | K | 83.8 | Confident | 87.4 | Confident | 167 Ų | 167 | 65.7 Ų | 65.7 | 73% | 0.726 | 33% | 0.332 | S | S | * | . | trans | -144.7 | 111.8 | 174.3 | -175.9 | 174.5 | -179.5 | 176.8 | 0 | 111 | L305 M312 | L305-K314 HydrophobicContact CD1-CB 4.45Å; L305-K314 HydrophobicContact CD1-CD 4.32Å; L305-K314 HydrophobicContact CD1-CG 4.01Å; M312-K314 PolarHBondContact O-N 3.03Å | ||
| 315 | I | 85.3 | Confident | 87.4 | Confident | 11 Ų | 11 | 64.1 Ų | 64.1 | 6% | 0.056 | 32% | 0.32 | C | S | . | . | trans | -92.9 | 141.1 | 178.9 | -55.7 | 173.6 | 0 | 0 | 0 | 109.8 | L157 I168 V171 M192 L194 V313 M317 F320 | L157-I315 HydrophobicContact CD1-CD1 4.21Å; I168-I315 HydrophobicContact CD1-CG1 3.89Å; V171-I315 HydrophobicContact CG1-CD1 4.06Å; M192-I315 HydrophobicContact CB-CD1 4.26Å; M192-I315 HydrophobicContact CE-CB 4.4Å; M192-I315 HydrophobicContact CG-CB 3.88Å; M192-I315 HydrophobicContact CG-CD1 3.85Å; M192-I315 HydrophobicContact CG-CG1 3.73Å; M192-I315 HydrophobicContact SD-CB 4.4Å; M192-I315 PolarHBondContact SD-N 3.37Å; L194-I315 HydrophobicContact CD1-CD1 3.79Å; V313-I315 HydrophobicContact CG1-CG1 4.34Å; I315-M317 PolarHBondContact O-N 3.21Å; I315-F320 HydrophobicContact CG2-CE2 3.85Å | ||
| 316 | S | 87.4 | Confident | 87.5 | Confident | 79 Ų | 79 | 65.7 Ų | 65.7 | 55% | 0.552 | 33% | 0.334 | S | S | * | . | trans | -79.8 | 104 | 174.4 | -172.1 | 0 | 0 | 0 | 0 | 111 | D318 | S316-D318 PolarHBondContact O-N 3.44Å; S316-D318 WeakPolarHBondContact OG-CB 3.35Å | ||
| 317 | M | 90.9 | Very high | 87.6 | Confident | 12 Ų | 12 | 70.7 Ų | 70.7 | 6% | 0.059 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -64.1 | -11 | 176.6 | -60.9 | -50.4 | -62.6 | 0 | 0 | 114.1 | M192 W296 I297 G300 K301 I315 V319 F320 V321 W332 | M192-M317 HydrophobicContact CE-CG 4.14Å; M192-M317 HydrophobicContact CE-SD 3.96Å; W296-M317 HydrophobicContact CE3-CE 4.39Å; W296-M317 HydrophobicContact CH2-CE 3.61Å; W296-M317 HydrophobicContact CH2-SD 3.54Å; W296-M317 VanDerWaalsContact CH2-SD 3.54Å; W296-M317 HydrophobicContact CZ2-CE 4.06Å; W296-M317 HydrophobicContact CZ2-SD 3.85Å; W296-M317 HydrophobicContact CZ3-CE 3.78Å; W296-M317 HydrophobicContact CZ3-SD 4.29Å; I297-M317 HydrophobicContact CG2-CE 4.28Å; I297-M317 WeakPolarHBondContact O-CE 3.13Å; G300-M317 WeakPolarHBondContact O-CG 3.48Å; K301-M317 HydrophobicContact CG-CB 4.29Å; K301-M317 HydrophobicContact CG-CE 4.34Å; K301-M317 HydrophobicContact CG-CG 4.43Å; I315-M317 PolarHBondContact O-N 3.21Å; M317-V319 PolarHBondContact O-N 2.95Å; M317-F320 HydrophobicContact CE-CB 4.3Å; M317-F320 HydrophobicContact CE-CD2 4.08Å; M317-F320 HydrophobicContact CE-CG 4.39Å; M317-F320 PolarHBondContact O-N 3.45Å; M317-F320 HydrophobicContact SD-CD2 4.23Å; M317-V321 WeakPolarHBondContact O-CG2 3.29Å; M317-V321 PolarHBondContact O-N 2.87Å; M317-W332 HydrophobicContact CB-CH2 4.15Å; M317-W332 HydrophobicContact CB-CZ2 3.87Å |
| 318 | D | 89.9 | Confident | 87.8 | Confident | 25 Ų | 25 | 68.7 Ų | 68.7 | 13% | 0.134 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -57.9 | -40.7 | -175 | -175.8 | -101.2 | 0 | 0 | 0 | 114 | S316 R322 W332 K333 | S316-D318 PolarHBondContact O-N 3.44Å; S316-D318 WeakPolarHBondContact OG-CB 3.35Å; D318-R322 VanDerWaalsContact O-CB 3.27Å; D318-R322 WeakPolarHBondContact O-CB 3.29Å; D318-R322 PolarHBondContact O-N 3.3Å; D318-R322 VanDerWaalsContact O-N 3.09Å; D318-R322 IonicContact OD1-CZ 3.04Å; D318-R322 VanDerWaalsContact OD1-CZ 3.26Å; D318-R322 IonicContact OD1-NH1 2.66Å; D318-R322 PolarHBondContact OD1-NH1 3.03Å; D318-R322 IonicContact OD1-NH2 3.26Å; D318-R322 PolarHBondContact OD1-NH2 3.3Å; D318-R322 IonicContact OD2-NH2 2.66Å; D318-W332 HydrophobicContact CB-CH2 4.25Å; D318-W332 HydrophobicContact CB-CZ3 4.37Å; D318-K333 IonicContact OD2-NZ 2.66Å; D318-K333 PolarHBondContact OD2-NZ 2.87Å |
| 319 | V | 87.2 | Confident | 88 | Confident | 29 Ų | 29 | 67.9 Ų | 67.9 | 18% | 0.176 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -69.5 | -44.1 | 176.8 | 61.1 | 0 | 0 | 0 | 0 | 111.6 | V160 M317 R322 K323 | V160-V319 HydrophobicContact CG1-CG1 4.5Å; V160-V319 HydrophobicContact CG2-CG1 3.77Å; M317-V319 PolarHBondContact O-N 2.95Å; V319-R322 PolarHBondContact O-N 3.15Å; V319-K323 VanDerWaalsContact O-CB 3.24Å; V319-K323 WeakPolarHBondContact O-CB 3.38Å; V319-K323 PolarHBondContact O-N 2.86Å |
| 320 | F | 89.6 | Confident | 88.5 | Confident | 4 Ų | 4 | 71.1 Ų | 71.1 | 2% | 0.018 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62.7 | -47.7 | 178.8 | -65.7 | -77.8 | 0 | 0 | 0 | 112 | I156 L157 V160 W296 I297 I315 M317 K323 F324 | I156-F320 HydrophobicContact CD1-CD1 4.04Å; I156-F320 HydrophobicContact CD1-CE1 4.09Å; I156-F320 HydrophobicContact CG1-CD1 4.5Å; I156-F320 HydrophobicContact CG1-CE1 4.08Å; I156-F320 WeakPolarHBondContact O-CE1 2.96Å; L157-F320 HydrophobicContact CD1-CZ 4.17Å; V160-F320 HydrophobicContact CB-CZ 4.41Å; V160-F320 HydrophobicContact CG2-CD2 4.29Å; V160-F320 HydrophobicContact CG2-CE1 3.76Å; V160-F320 HydrophobicContact CG2-CE2 3.46Å; V160-F320 VanDerWaalsContact CG2-CE2 3.46Å; V160-F320 HydrophobicContact CG2-CZ 3.15Å; W296-F320 HydrophobicContact CH2-CD2 4.07Å; W296-F320 HydrophobicContact CH2-CE1 4.48Å; W296-F320 AromaticContact CH2-CE2 3.6Å; W296-F320 HydrophobicContact CH2-CE2 3.6Å; W296-F320 AromaticContact CH2-CZ 3.82Å; W296-F320 HydrophobicContact CH2-CZ 3.82Å; W296-F320 AromaticContact CZ3-CD1 3.95Å; W296-F320 HydrophobicContact CZ3-CD1 3.95Å; W296-F320 AromaticContact CZ3-CD2 3.87Å; W296-F320 HydrophobicContact CZ3-CD2 3.87Å; W296-F320 AromaticContact CZ3-CE1 3.67Å; W296-F320 HydrophobicContact CZ3-CE1 3.67Å; W296-F320 AromaticContact CZ3-CE2 3.56Å; W296-F320 HydrophobicContact CZ3-CE2 3.56Å; W296-F320 HydrophobicContact CZ3-CG 4.02Å; W296-F320 AromaticContact CZ3-CZ 3.44Å; W296-F320 HydrophobicContact CZ3-CZ 3.44Å; W296-F320 VanDerWaalsContact CZ3-CZ 3.44Å; I297-F320 HydrophobicContact CD1-CB 4.21Å; I297-F320 HydrophobicContact CD1-CD1 4.5Å; I297-F320 HydrophobicContact CG1-CB 4.23Å; I297-F320 HydrophobicContact CG1-CD1 4.47Å; I297-F320 HydrophobicContact CG2-CB 4.17Å; I315-F320 HydrophobicContact CG2-CE2 3.85Å; M317-F320 HydrophobicContact CE-CB 4.3Å; M317-F320 HydrophobicContact CE-CD2 4.08Å; M317-F320 HydrophobicContact CE-CG 4.39Å; M317-F320 PolarHBondContact O-N 3.45Å; M317-F320 HydrophobicContact SD-CD2 4.23Å; F320-K323 PolarHBondContact O-N 2.72Å; F320-F324 HydrophobicContact CD1-CD2 4.31Å; F320-F324 HydrophobicContact CD1-CE2 4.14Å; F320-F324 WeakPolarHBondContact O-CB 3.41Å; F320-F324 WeakPolarHBondContact O-CD2 3.16Å; F320-F324 PolarHBondContact O-N 3.34Å |
| 321 | V | 91.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -66.7 | -40.6 | 179.7 | -176.7 | 0 | 0 | 0 | 0 | 110.6 | I297 K301 M317 K323 Q325 Y329 W332 | I297-V321 HydrophobicContact CG2-CG2 4.25Å; K301-V321 HydrophobicContact CD-CG2 3.66Å; K301-V321 HydrophobicContact CG-CG2 3.95Å; M317-V321 WeakPolarHBondContact O-CG2 3.29Å; M317-V321 PolarHBondContact O-N 2.87Å; V321-K323 VanDerWaalsContact C-N 3.31Å; V321-K323 PolarHBondContact O-N 3.38Å; V321-Q325 HydrophobicContact CG1-CB 4.05Å; V321-Q325 CarbonylContact O-C 3.59Å; V321-Q325 VanDerWaalsContact O-CA 3.28Å; V321-Q325 WeakPolarHBondContact O-CA 3.46Å; V321-Q325 PolarHBondContact O-N 3.42Å; V321-Y329 HydrophobicContact CB-CD2 4.26Å; V321-Y329 HydrophobicContact CG1-CD2 4.05Å; V321-W332 HydrophobicContact CB-CD2 4.25Å; V321-W332 HydrophobicContact CB-CE3 3.9Å; V321-W332 HydrophobicContact CB-CZ3 4.14Å; V321-W332 HydrophobicContact CG1-CB 4.2Å; V321-W332 HydrophobicContact CG1-CD2 3.97Å; V321-W332 HydrophobicContact CG1-CE3 3.77Å; V321-W332 HydrophobicContact CG1-CG 4.17Å; V321-W332 HydrophobicContact CG1-CZ3 4.48Å; V321-W332 HydrophobicContact CG2-CD2 3.98Å; V321-W332 HydrophobicContact CG2-CE3 4.08Å; V321-W332 HydrophobicContact CG2-CH2 4.41Å; V321-W332 HydrophobicContact CG2-CZ2 4.32Å; V321-W332 HydrophobicContact CG2-CZ3 4.3Å |
| 322 | R | 89.3 | Confident | 90.1 | Very high | 121 Ų | 121 | 62.3 Ų | 62.3 | 46% | 0.457 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -59.7 | -40 | 174.9 | -177.6 | -176.6 | -63.6 | 111.3 | 10 | 112.6 | D318 V319 Y329 | D318-R322 VanDerWaalsContact O-CB 3.27Å; D318-R322 WeakPolarHBondContact O-CB 3.29Å; D318-R322 PolarHBondContact O-N 3.3Å; D318-R322 VanDerWaalsContact O-N 3.09Å; D318-R322 IonicContact OD1-CZ 3.04Å; D318-R322 VanDerWaalsContact OD1-CZ 3.26Å; D318-R322 IonicContact OD1-NH1 2.66Å; D318-R322 PolarHBondContact OD1-NH1 3.03Å; D318-R322 IonicContact OD1-NH2 3.26Å; D318-R322 PolarHBondContact OD1-NH2 3.3Å; D318-R322 IonicContact OD2-NH2 2.66Å; V319-R322 PolarHBondContact O-N 3.15Å; R322-Y329 HydrophobicContact CB-CD2 3.9Å; R322-Y329 HydrophobicContact CB-CE2 3.94Å; R322-Y329 PolarHBondContact NH2-OH 2.87Å |
| 323 | K | 87.9 | Confident | 90.7 | Very high | 83 Ų | 83 | 66.2 Ų | 66.2 | 36% | 0.361 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -87.9 | -35.3 | -170.9 | -171.4 | 168.7 | -177 | 170.3 | 0 | 114.1 | E163 V319 F320 V321 | E163-K323 IonicContact OE1-NZ 2.82Å; E163-K323 PolarHBondContact OE1-NZ 2.77Å; E163-K323 IonicContact OE2-NZ 3.41Å; E163-K323 PolarHBondContact OE2-NZ 3.5Å; E163-K323 VanDerWaalsContact OE2-NZ 3.16Å; V319-K323 VanDerWaalsContact O-CB 3.24Å; V319-K323 WeakPolarHBondContact O-CB 3.38Å; V319-K323 PolarHBondContact O-N 2.86Å; F320-K323 PolarHBondContact O-N 2.72Å; V321-K323 VanDerWaalsContact C-N 3.31Å; V321-K323 PolarHBondContact O-N 3.38Å |
| 324 | F | 90.1 | Very high | 91.3 | Very high | 51 Ų | 51 | 67.7 Ų | 67.7 | 22% | 0.224 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -116.6 | -9.3 | -173.2 | -57.9 | -72.6 | 0 | 0 | 0 | 114.3 | I156 L159 R294 I297 F320 | I156-F324 HydrophobicContact CB-CE2 4.16Å; I156-F324 HydrophobicContact CB-CZ 4Å; I156-F324 HydrophobicContact CD1-CD2 4.43Å; I156-F324 HydrophobicContact CD1-CE2 4.08Å; I156-F324 HydrophobicContact CD1-CZ 4.47Å; I156-F324 HydrophobicContact CG2-CE1 4.3Å; I156-F324 HydrophobicContact CG2-CE2 4.35Å; I156-F324 HydrophobicContact CG2-CZ 3.75Å; L159-F324 HydrophobicContact CD1-CZ 3.97Å; R294-F324 HydrophobicContact CG-CD1 4.32Å; I297-F324 HydrophobicContact CD1-CB 3.54Å; I297-F324 HydrophobicContact CD1-CD2 3.56Å; I297-F324 HydrophobicContact CD1-CE2 4.49Å; I297-F324 HydrophobicContact CD1-CG 3.77Å; F320-F324 HydrophobicContact CD1-CD2 4.31Å; F320-F324 HydrophobicContact CD1-CE2 4.14Å; F320-F324 WeakPolarHBondContact O-CB 3.41Å; F320-F324 WeakPolarHBondContact O-CD2 3.16Å; F320-F324 PolarHBondContact O-N 3.34Å |
| 325 | Q | 93.4 | Very high | 91.7 | Very high | 20 Ų | 20 | 62.9 Ų | 62.9 | 9% | 0.093 | 33% | 0.325 | C | S | . | . | trans | -138.3 | 47.1 | 176 | -57.4 | -173.8 | -22.1 | 0 | 0 | 111.9 | E298 V321 E327 R328 Y329 | E298-Q325 PolarHBondContact OE1-NE2 2.87Å; E298-Q325 PolarHBondContact OE1-OE1 2.97Å; V321-Q325 HydrophobicContact CG1-CB 4.05Å; V321-Q325 CarbonylContact O-C 3.59Å; V321-Q325 VanDerWaalsContact O-CA 3.28Å; V321-Q325 WeakPolarHBondContact O-CA 3.46Å; V321-Q325 PolarHBondContact O-N 3.42Å; Q325-E327 VanDerWaalsContact C-OE2 3.26Å; Q325-E327 WeakPolarHBondContact CA-OE1 3.29Å; Q325-E327 PolarHBondContact O-N 3.38Å; Q325-R328 PolarHBondContact O-N 3.03Å; Q325-R328 VanDerWaalsContact O-N 3.07Å; Q325-Y329 PolarHBondContact O-N 3.31Å | ||
| 326 | P | 94.1 | Very high | 92.1 | Very high | 82 Ų | 82 | 69.3 Ų | 69.3 | 53% | 0.532 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -59.3 | -30.4 | -172.6 | 25.8 | -36.1 | 0 | 0 | 0 | 113.7 | ||
| 327 | E | 95.4 | Very high | 92.4 | Very high | 121 Ų | 121 | 67.1 Ų | 67.1 | 57% | 0.565 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -66.8 | -37.7 | 175.9 | 72.4 | -50.2 | 122.6 | 0 | 0 | 112.7 | Q325 | Q325-E327 VanDerWaalsContact C-OE2 3.26Å; Q325-E327 WeakPolarHBondContact CA-OE1 3.29Å; Q325-E327 PolarHBondContact O-N 3.38Å |
| 328 | R | 93.5 | Very high | 92.4 | Very high | 51 Ų | 51 | 73.5 Ų | 73.5 | 19% | 0.192 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -91.3 | -16.4 | 176.9 | -76.5 | 165.7 | 61.1 | -140.7 | -3.6 | 114.1 | E298 Q325 K330 L331 W332 D337 T339 | E298-R328 IonicContact OE1-CZ 3.03Å; E298-R328 IonicContact OE1-NH1 2.65Å; E298-R328 PolarHBondContact OE1-NH1 2.84Å; E298-R328 IonicContact OE1-NH2 3.83Å; E298-R328 PolarHBondContact OE1-NH2 2.92Å; E298-R328 IonicContact OE2-NH2 3.85Å; E298-R328 PolarHBondContact OE2-NH2 3.14Å; Q325-R328 PolarHBondContact O-N 3.03Å; Q325-R328 VanDerWaalsContact O-N 3.07Å; R328-K330 VanDerWaalsContact C-N 3.27Å; R328-K330 PolarHBondContact O-N 3.05Å; R328-K330 VanDerWaalsContact O-N 3.11Å; R328-L331 PolarHBondContact O-N 2.86Å; R328-W332 PolarHBondContact O-N 2.94Å; R328-D337 IonicContact CZ-OD1 2.79Å; R328-D337 VanDerWaalsContact CZ-OD1 3.27Å; R328-D337 IonicContact CZ-OD2 2.8Å; R328-D337 IonicContact NE-OD1 3.95Å; R328-D337 PolarHBondContact NE-OD1 3.09Å; R328-D337 IonicContact NE-OD2 2.65Å; R328-D337 VanDerWaalsContact NH2-CG 3.25Å; R328-D337 IonicContact NH2-OD1 2.69Å; R328-D337 PolarHBondContact NH2-OD1 3.47Å; R328-D337 IonicContact NH2-OD2 2.91Å; R328-D337 PolarHBondContact NH2-OD2 2.87Å; R328-T339 VanDerWaalsContact NH2-CB 3.29Å; R328-T339 PolarHBondContact NH2-OG1 3.24Å |
| 329 | Y | 93.9 | Very high | 92.6 | Very high | 53 Ų | 53 | 75 Ų | 75 | 21% | 0.208 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -48 | -43 | -178.8 | 174.1 | -96.8 | 0 | 0 | 0 | 114 | V321 R322 Q325 W332 K333 | V321-Y329 HydrophobicContact CB-CD2 4.26Å; V321-Y329 HydrophobicContact CG1-CD2 4.05Å; R322-Y329 HydrophobicContact CB-CD2 3.9Å; R322-Y329 HydrophobicContact CB-CE2 3.94Å; R322-Y329 PolarHBondContact NH2-OH 2.87Å; Q325-Y329 PolarHBondContact O-N 3.31Å; Y329-W332 HydrophobicContact CD2-CE3 4.27Å; Y329-W332 HydrophobicContact CD2-CZ3 4.43Å; Y329-W332 HydrophobicContact CE2-CZ3 4.34Å; Y329-K333 VanDerWaalsContact O-CB 3.26Å; Y329-K333 WeakPolarHBondContact O-CB 3.24Å; Y329-K333 PolarHBondContact O-N 2.89Å |
| 330 | K | 94.4 | Very high | 92.9 | Very high | 173 Ų | 173 | 79.7 Ų | 79.7 | 75% | 0.752 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -65.9 | -39.2 | 177.3 | -71.5 | -178.1 | 179.5 | 175.9 | 0 | 113.2 | R328 A334 | R328-K330 VanDerWaalsContact C-N 3.27Å; R328-K330 PolarHBondContact O-N 3.05Å; R328-K330 VanDerWaalsContact O-N 3.11Å; K330-A334 WeakPolarHBondContact O-CB 3.44Å; K330-A334 PolarHBondContact O-N 2.98Å |
| 331 | L | 95 | Very high | 93.2 | Very high | 90 Ų | 90 | 80.9 Ų | 80.9 | 47% | 0.471 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -72.4 | -42.2 | 178.9 | -67.5 | 169.4 | 0 | 0 | 0 | 111 | R328 A334 G335 K336 | R328-L331 PolarHBondContact O-N 2.86Å; L331-A334 CarbonylContact O-C 3.58Å; L331-A334 PolarHBondContact O-N 3.43Å; L331-G335 PolarHBondContact O-N 2.89Å; L331-K336 PolarHBondContact O-N 3.14Å |
| 332 | W | 95.5 | Very high | 93.3 | Very high | 59 Ų | 59 | 84.5 Ų | 84.5 | 22% | 0.223 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -62 | -47.5 | 175.5 | 174.1 | 73.4 | 0 | 0 | 0 | 111.8 | M317 D318 V321 R328 Y329 A334 G335 D337 | M317-W332 HydrophobicContact CB-CH2 4.15Å; M317-W332 HydrophobicContact CB-CZ2 3.87Å; D318-W332 HydrophobicContact CB-CH2 4.25Å; D318-W332 HydrophobicContact CB-CZ3 4.37Å; V321-W332 HydrophobicContact CB-CD2 4.25Å; V321-W332 HydrophobicContact CB-CE3 3.9Å; V321-W332 HydrophobicContact CB-CZ3 4.14Å; V321-W332 HydrophobicContact CG1-CB 4.2Å; V321-W332 HydrophobicContact CG1-CD2 3.97Å; V321-W332 HydrophobicContact CG1-CE3 3.77Å; V321-W332 HydrophobicContact CG1-CG 4.17Å; V321-W332 HydrophobicContact CG1-CZ3 4.48Å; V321-W332 HydrophobicContact CG2-CD2 3.98Å; V321-W332 HydrophobicContact CG2-CE3 4.08Å; V321-W332 HydrophobicContact CG2-CH2 4.41Å; V321-W332 HydrophobicContact CG2-CZ2 4.32Å; V321-W332 HydrophobicContact CG2-CZ3 4.3Å; R328-W332 PolarHBondContact O-N 2.94Å; Y329-W332 HydrophobicContact CD2-CE3 4.27Å; Y329-W332 HydrophobicContact CD2-CZ3 4.43Å; Y329-W332 HydrophobicContact CE2-CZ3 4.34Å; W332-A334 PolarHBondContact O-N 3.42Å; W332-G335 PolarHBondContact O-N 3.17Å; W332-D337 HydrophobicContact CB-CB 3.86Å |
| 333 | K | 94.2 | Very high | 93.5 | Very high | 128 Ų | 128 | 80.8 Ų | 80.8 | 56% | 0.557 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -63.4 | -23.2 | 177.2 | -157.3 | 73.2 | 177.7 | -173.5 | 0 | 113.1 | D318 Y329 | D318-K333 IonicContact OD2-NZ 2.66Å; D318-K333 PolarHBondContact OD2-NZ 2.87Å; Y329-K333 VanDerWaalsContact O-CB 3.26Å; Y329-K333 WeakPolarHBondContact O-CB 3.24Å; Y329-K333 PolarHBondContact O-N 2.89Å |
| 334 | A | 94 | Very high | 93.7 | Very high | 62 Ų | 62 | 77.5 Ų | 77.5 | 51% | 0.512 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | 2.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | K330 L331 W332 K336 | K330-A334 WeakPolarHBondContact O-CB 3.44Å; K330-A334 PolarHBondContact O-N 2.98Å; L331-A334 CarbonylContact O-C 3.58Å; L331-A334 PolarHBondContact O-N 3.43Å; W332-A334 PolarHBondContact O-N 3.42Å; A334-K336 HydrophobicContact CB-CG 4.48Å |
| 335 | G | 92.9 | Very high | 93.9 | Very high | 67 Ų | 67 | 79.2 Ų | 79.2 | 69% | 0.691 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.7 | 24.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | L331 W332 | L331-G335 PolarHBondContact O-N 2.89Å; W332-G335 PolarHBondContact O-N 3.17Å |
| 336 | K | 94.1 | Very high | 94 | Very high | 146 Ų | 146 | 79.5 Ų | 79.5 | 64% | 0.635 | 42% | 0.423 | S | S | * | . | trans | -114.9 | 12.4 | -175 | -61.2 | -175.7 | -179.3 | -176.3 | 0 | 114.1 | L331 A334 N338 | L331-K336 PolarHBondContact O-N 3.14Å; A334-K336 HydrophobicContact CB-CG 4.48Å; K336-N338 PolarHBondContact O-N 3.41Å | ||
| 337 | D | 93 | Very high | 94 | Very high | 33 Ų | 33 | 75.7 Ų | 75.7 | 18% | 0.176 | 40% | 0.398 | C | S | . | . | trans | -92.3 | 88.6 | -177 | -176.2 | 26.6 | 0 | 0 | 0 | 110.7 | K301 R328 W332 T339 | K301-D337 VanDerWaalsContact CE-OD2 3.28Å; K301-D337 WeakPolarHBondContact CE-OD2 3.49Å; K301-D337 IonicContact NZ-OD2 3.27Å; K301-D337 PolarHBondContact NZ-OD2 2.87Å; R328-D337 IonicContact CZ-OD1 2.79Å; R328-D337 VanDerWaalsContact CZ-OD1 3.27Å; R328-D337 IonicContact CZ-OD2 2.8Å; R328-D337 IonicContact NE-OD1 3.95Å; R328-D337 PolarHBondContact NE-OD1 3.09Å; R328-D337 IonicContact NE-OD2 2.65Å; R328-D337 VanDerWaalsContact NH2-CG 3.25Å; R328-D337 IonicContact NH2-OD1 2.69Å; R328-D337 PolarHBondContact NH2-OD1 3.47Å; R328-D337 IonicContact NH2-OD2 2.91Å; R328-D337 PolarHBondContact NH2-OD2 2.87Å; W332-D337 HydrophobicContact CB-CB 3.86Å; D337-T339 VanDerWaalsContact C-N 3.31Å; D337-T339 PolarHBondContact O-N 3.4Å | ||
| 338 | N | 92.2 | Very high | 93.9 | Very high | 146 Ų | 146 | 73.8 Ų | 73.8 | 78% | 0.781 | 40% | 0.396 | S | S | * | . | trans | -90.3 | 27.4 | -168.4 | -60.5 | -26.4 | 0 | 0 | 0 | 114 | K336 V340 | K336-N338 PolarHBondContact O-N 3.41Å; N338-V340 PolarHBondContact O-N 2.93Å | ||
| 339 | T | 93.1 | Very high | 93.9 | Very high | 55 Ų | 55 | 74 Ų | 74 | 34% | 0.337 | 40% | 0.399 | S | S | . | . | P | Polyproline II helix | trans | -67.8 | 118.8 | -176.7 | -71.3 | 0 | 0 | 0 | 0 | 111.8 | Q302 R328 D337 | Q302-T339 PolarHBondContact NE2-O 3.19Å; R328-T339 VanDerWaalsContact NH2-CB 3.29Å; R328-T339 PolarHBondContact NH2-OG1 3.24Å; D337-T339 VanDerWaalsContact C-N 3.31Å; D337-T339 PolarHBondContact O-N 3.4Å |
| 340 | V | 93.4 | Very high | 93.9 | Very high | 128 Ų | 128 | 71.4 Ų | 71.4 | 78% | 0.776 | 39% | 0.389 | S | S | * | . | P | Polyproline II helix | trans | -76.4 | 134.5 | 170.6 | -177.6 | 0 | 0 | 0 | 0 | 109.1 | N338 D342 | N338-V340 PolarHBondContact O-N 2.93Å; V340-D342 PolarHBondContact O-N 2.94Å |
| 341 | I | 95.4 | Very high | 93.8 | Very high | 30 Ų | 30 | 65.2 Ų | 65.2 | 15% | 0.154 | 37% | 0.37 | C | S | . | . | P | Polyproline II helix | trans | -75.5 | 122.1 | 173 | -61.8 | 174.7 | 0 | 0 | 0 | 109.1 | E298 Y299 Q302 | E298-I341 HydrophobicContact CB-CD1 4.13Å; E298-I341 HydrophobicContact CB-CG1 3.91Å; Y299-I341 HydrophobicContact CD1-CD1 4.17Å; Y299-I341 HydrophobicContact CD2-CD1 4.2Å; Y299-I341 HydrophobicContact CD2-CG2 4.34Å; Y299-I341 HydrophobicContact CE1-CG2 4.1Å; Y299-I341 HydrophobicContact CE2-CG2 3.66Å; Y299-I341 HydrophobicContact CG-CD1 4.03Å; Q302-I341 HydrophobicContact CB-CD1 4.25Å; Q302-I341 HydrophobicContact CG-CD1 4.4Å |
| 342 | D | 93.7 | Very high | 93.6 | Very high | 75 Ų | 75 | 65 Ų | 65 | 40% | 0.401 | 37% | 0.367 | S | S | . | . | P | Polyproline II helix | trans | -87.1 | 126.5 | 159.3 | -168.4 | -31.9 | 0 | 0 | 0 | 108.4 | V340 T344 L345 | V340-D342 PolarHBondContact O-N 2.94Å; D342-T344 WeakPolarHBondContact OD1-CA 3.44Å; D342-T344 WeakPolarHBondContact OD1-CB 3.4Å; D342-T344 PolarHBondContact OD1-N 2.93Å; D342-T344 PolarHBondContact OD1-OG1 3.32Å; D342-L345 HydrophobicContact CB-CD1 3.86Å; D342-L345 HydrophobicContact CB-CG 3.9Å |
| 343 | H | 93.8 | Very high | 93.3 | Very high | 43 Ų | 43 | 64 Ų | 64 | 20% | 0.199 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -87.9 | -9.4 | -179 | -61.1 | -56.3 | 0 | 0 | 0 | 113.3 | P213 E214 Y299 | P213-H343 HydrophobicContact CB-CB 4.32Å; E214-H343 HydrophobicContact CB-CB 4.12Å; Y299-H343 AromaticContact CE1-CE1 3.9Å; Y299-H343 AromaticContact CE1-ND1 3.68Å; Y299-H343 AromaticContact CZ-ND1 3.62Å; Y299-H343 PolarHBondContact OH-ND1 3.18Å |
| 344 | T | 92.4 | Very high | 92.6 | Very high | 15 Ų | 15 | 61.7 Ų | 61.7 | 9% | 0.092 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -87.2 | -28.1 | 178.3 | 71.1 | 0 | 0 | 0 | 0 | 112.4 | S5 H40 D342 | S5-T344 PolarHBondContact OG-O 3.49Å; H40-T344 PolarHBondContact NE2-O 3.28Å; D342-T344 WeakPolarHBondContact OD1-CA 3.44Å; D342-T344 WeakPolarHBondContact OD1-CB 3.4Å; D342-T344 PolarHBondContact OD1-N 2.93Å; D342-T344 PolarHBondContact OD1-OG1 3.32Å |
| 345 | L | 93.8 | Very high | 91.1 | Very high | 86 Ų | 86 | 65.3 Ų | 65.3 | 45% | 0.45 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -65.9 | 129.5 | 179.8 | -65.9 | 179.5 | 0 | 0 | 0 | 111.8 | S5 H40 R295 D342 | S5-L345 WeakPolarHBondContact OG-CA 3Å; H40-L345 PolarHBondContact NE2-O 3Å; R295-L345 VanDerWaalsContact CD-O 3.22Å; R295-L345 WeakPolarHBondContact CD-O 3.44Å; D342-L345 HydrophobicContact CB-CD1 3.86Å; D342-L345 HydrophobicContact CB-CG 3.9Å |
| 346 | P | 95.2 | Very high | 88.9 | Confident | 26 Ų | 26 | 69.1 Ų | 69.1 | 17% | 0.169 | 36% | 0.361 | C | S | . | . | P | Polyproline II helix | trans | -75.4 | 169.3 | 172.4 | 33.2 | -35.9 | 0 | 0 | 0 | 111.8 | S5 E35 A350 L354 | S5-P346 WeakPolarHBondContact OG-CD 3.34Å; E35-P346 HydrophobicContact CB-CB 3.79Å; E35-P346 WeakPolarHBondContact O-CB 3.42Å; P346-A350 HydrophobicContact CB-CB 4Å; P346-A350 HydrophobicContact CG-CB 4.37Å; P346-L354 HydrophobicContact CG-CD1 4.05Å |
| 347 | T | 94.8 | Very high | 86.5 | Confident | 3 Ų | 3 | 67 Ų | 67 | 2% | 0.018 | 36% | 0.364 | C | S | . | . | P | Polyproline II helix | trans | -64.6 | 145.9 | -179.3 | -159.7 | 0 | 0 | 0 | 0 | 112.1 | A32 E35 T293 R295 E349 A350 | A32-T347 HydrophobicContact CB-CG2 4.12Å; E35-T347 VanDerWaalsContact OE2-CB 3.23Å; E35-T347 WeakPolarHBondContact OE2-CB 3.48Å; E35-T347 PolarHBondContact OE2-N 2.91Å; T293-T347 WeakPolarHBondContact CB-OG1 3.43Å; T293-T347 PolarHBondContact OG1-OG1 2.96Å; R295-T347 WeakPolarHBondContact CB-OG1 3.15Å; R295-T347 PolarHBondContact N-OG1 3.39Å; T347-E349 WeakPolarHBondContact CB-OE2 3.48Å; T347-E349 HydrophobicContact CG2-CB 4.08Å; T347-E349 WeakPolarHBondContact CG2-OE2 3.23Å; T347-E349 PolarHBondContact O-N 3.13Å; T347-E349 PolarHBondContact OG1-OE2 3.1Å; T347-A350 HydrophobicContact CG2-CB 4.42Å; T347-A350 WeakPolarHBondContact O-CB 3.36Å; T347-A350 PolarHBondContact O-N 3.03Å |
| 348 | P | 94.2 | Very high | 84 | Confident | 80 Ų | 80 | 73.2 Ų | 73.2 | 52% | 0.519 | 39% | 0.392 | S | S | . | . | G | 310 helix | trans | -54.6 | -25.9 | -178.2 | -29.5 | 36.1 | 0 | 0 | 0 | 115.2 | R294 A350 A351 | R294-P348 HydrophobicContact CB-CG 4.16Å; P348-A350 PolarHBondContact O-N 3.21Å; P348-A351 WeakPolarHBondContact O-CB 3.47Å; P348-A351 PolarHBondContact O-N 2.97Å |
| 349 | E | 93.9 | Very high | 80.9 | Confident | 55 Ų | 55 | 73.6 Ų | 73.6 | 26% | 0.257 | 39% | 0.394 | S | S | . | . | G | 310 helix | trans | -66 | -21.7 | 173.9 | -56.7 | 90.3 | 148.6 | 0 | 0 | 112.9 | A32 R294 T347 A351 | A32-E349 HydrophobicContact CB-CB 3.86Å; R294-E349 WeakPolarHBondContact CB-OE1 3.49Å; R294-E349 WeakPolarHBondContact CG-OE1 3.48Å; R294-E349 PolarHBondContact N-OE1 3.48Å; T347-E349 WeakPolarHBondContact CB-OE2 3.48Å; T347-E349 HydrophobicContact CG2-CB 4.08Å; T347-E349 WeakPolarHBondContact CG2-OE2 3.23Å; T347-E349 PolarHBondContact O-N 3.13Å; T347-E349 PolarHBondContact OG1-OE2 3.1Å; E349-A351 PolarHBondContact O-N 3.27Å |
| 350 | A | 93.8 | Very high | 78.4 | Confident | 0 Ų | 0 | 76 Ų | 76 | 0% | 0 | 41% | 0.41 | C | S | . | . | G | 310 helix | trans | -73.7 | -7.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | A32 P346 T347 P348 E352 F353 L354 | A32-A350 HydrophobicContact CB-CB 4.37Å; A32-A350 VanDerWaalsContact O-CB 3.22Å; A32-A350 WeakPolarHBondContact O-CB 3.39Å; P346-A350 HydrophobicContact CB-CB 4Å; P346-A350 HydrophobicContact CG-CB 4.37Å; T347-A350 HydrophobicContact CG2-CB 4.42Å; T347-A350 WeakPolarHBondContact O-CB 3.36Å; T347-A350 PolarHBondContact O-N 3.03Å; P348-A350 PolarHBondContact O-N 3.21Å; A350-E352 PolarHBondContact O-N 3.46Å; A350-E352 VanDerWaalsContact O-N 3.08Å; A350-F353 PolarHBondContact O-N 2.68Å; A350-L354 PolarHBondContact O-N 2.79Å |
| 351 | A | 90.4 | Very high | 75.6 | Confident | 42 Ų | 42 | 76.2 Ų | 76.2 | 35% | 0.347 | 41% | 0.414 | S | S | . | . | G | 310 helix | trans | -71.4 | 3.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115 | P348 E349 K355 | P348-A351 WeakPolarHBondContact O-CB 3.47Å; P348-A351 PolarHBondContact O-N 2.97Å; E349-A351 PolarHBondContact O-N 3.27Å; A351-K355 VanDerWaalsContact O-CD 3.27Å; A351-K355 WeakPolarHBondContact O-CD 3.49Å; A351-K355 WeakPolarHBondContact O-CE 3.42Å |
| 352 | E | 91.5 | Very high | 72.6 | Confident | 86 Ų | 86 | 86.5 Ų | 86.5 | 40% | 0.402 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -50.6 | 164.2 | 57.2 | -178 | -111.7 | 0 | 0 | 111.4 | R29 A350 L354 K355 | R29-E352 IonicContact CZ-OE1 2.74Å; R29-E352 IonicContact NE-OE1 3.12Å; R29-E352 PolarHBondContact NE-OE1 3.38Å; R29-E352 IonicContact NH2-OE1 3.34Å; R29-E352 PolarHBondContact NH2-OE1 3.34Å; A350-E352 PolarHBondContact O-N 3.46Å; A350-E352 VanDerWaalsContact O-N 3.08Å; E352-L354 VanDerWaalsContact C-N 3.33Å; E352-L354 PolarHBondContact O-N 3.39Å; E352-K355 PolarHBondContact O-N 2.73Å; E352-K355 VanDerWaalsContact O-N 3.15Å |
| 353 | F | 90.4 | Very high | 69.7 | Low | 37 Ų | 37 | 87.9 Ų | 87.9 | 16% | 0.162 | 47% | 0.473 | C | S | . | . | G | 310 helix | trans | -65.7 | -34.7 | -178 | -49.5 | -67.6 | 0 | 0 | 0 | 112.9 | R29 A32 Y33 S36 A350 K355 E356 | R29-F353 HydrophobicContact CG-CZ 3.89Å; A32-F353 HydrophobicContact CB-CE2 4Å; Y33-F353 HydrophobicContact CD2-CD1 4Å; Y33-F353 HydrophobicContact CD2-CE1 4.21Å; Y33-F353 HydrophobicContact CD2-CG 4.22Å; Y33-F353 VanDerWaalsContact N-CE2 3.35Å; S36-F353 WeakPolarHBondContact OG-CB 3.45Å; A350-F353 PolarHBondContact O-N 2.68Å; F353-K355 PolarHBondContact O-N 2.82Å; F353-K355 VanDerWaalsContact O-N 3.12Å; F353-E356 PolarHBondContact O-N 3.14Å |
| 354 | L | 78.7 | Confident | 66.6 | Low | 80 Ų | 80 | 89.3 Ų | 89.3 | 42% | 0.419 | 50% | 0.499 | S | S | . | . | G | 310 helix | trans | -69.3 | -2.2 | 177.4 | -61.9 | 175.6 | 0 | 0 | 0 | 114.1 | L8 P346 A350 E352 S357 | L8-L354 HydrophobicContact CD1-CD2 4.49Å; P346-L354 HydrophobicContact CG-CD1 4.05Å; A350-L354 PolarHBondContact O-N 2.79Å; E352-L354 VanDerWaalsContact C-N 3.33Å; E352-L354 PolarHBondContact O-N 3.39Å; L354-S357 PolarHBondContact O-OG 3.26Å |
| 355 | K | 61.3 | Low | 63.5 | Low | 139 Ų | 139 | 95 Ų | 95 | 60% | 0.604 | 53% | 0.529 | S | S | * | . | G | 310 helix | trans | -110.4 | -21.3 | 178.5 | -67 | 176 | -174.6 | 164.5 | 0 | 113.7 | A351 E352 F353 S357 E358 | A351-K355 VanDerWaalsContact O-CD 3.27Å; A351-K355 WeakPolarHBondContact O-CD 3.49Å; A351-K355 WeakPolarHBondContact O-CE 3.42Å; E352-K355 PolarHBondContact O-N 2.73Å; E352-K355 VanDerWaalsContact O-N 3.15Å; F353-K355 PolarHBondContact O-N 2.82Å; F353-K355 VanDerWaalsContact O-N 3.12Å; K355-S357 PolarHBondContact O-N 2.98Å; K355-E358 PolarHBondContact O-N 3.42Å |
| 356 | E | 48.5 | Very low | 60.4 | Low | 147 Ų | 147 | 98.7 Ų | 98.7 | 69% | 0.687 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -11.3 | 179.1 | -66.1 | -172.1 | 136.2 | 0 | 0 | 112.7 | F353 E358 | F353-E356 PolarHBondContact O-N 3.14Å; E356-E358 VanDerWaalsContact C-N 3.28Å |
| 357 | S | 41.9 | Very low | 57.2 | Low | 100 Ų | 100 | 106.4 Ų | 106.4 | 70% | 0.699 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.1 | -12.6 | 166.6 | 43.6 | 0 | 0 | 0 | 0 | 114.6 | L354 K355 | L354-S357 PolarHBondContact O-OG 3.26Å; K355-S357 PolarHBondContact O-N 2.98Å |
| 358 | E | 40.7 | Very low | 54 | Low | 164 Ų | 164 | 115.6 Ų | 115.6 | 77% | 0.766 | 62% | 0.62 | S | S | * | * | trans | -111.1 | 83.1 | 178.2 | -67.7 | -162.7 | 131.8 | 0 | 0 | 112.3 | K355 E356 | K355-E358 PolarHBondContact O-N 3.42Å; E356-E358 VanDerWaalsContact C-N 3.28Å | ||
| 359 | L | 28.7 | Very low | 50.4 | Low | 154 Ų | 154 | 117.5 Ų | 117.5 | 81% | 0.806 | 64% | 0.635 | S | S | * | * | trans | -128.8 | 139.4 | 162.9 | -78.7 | 174.9 | 0 | 0 | 0 | 111.5 | ||||
| 360 | P | 39.6 | Very low | 47.7 | Very low | 105 Ų | 105 | 120.4 Ų | 120.4 | 68% | 0.682 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 158.7 | -164.7 | 32 | -37.2 | 0 | 0 | 0 | 113.9 | R362 | P360-R362 PolarHBondContact O-N 2.83Š|
| 361 | P | 35.5 | Very low | 44.4 | Very low | 133 Ų | 133 | 129.1 Ų | 129.1 | 86% | 0.864 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 133.8 | 173.9 | 26.5 | -34.7 | 0 | 0 | 0 | 111.2 | ||
| 362 | R | 30.8 | Very low | 41.4 | Very low | 247 Ų | 247 | 136.1 Ų | 136.1 | 93% | 0.932 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 139.1 | 173.6 | -73 | -177.3 | 173.4 | 176.9 | -1.5 | 110.4 | P360 | P360-R362 PolarHBondContact O-N 2.83Š|
| 363 | A | 33.4 | Very low | 38.3 | Very low | 103 Ų | 103 | 139 Ų | 139 | 85% | 0.851 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 149.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 364 | G | 28.6 | Very low | 35.2 | Very low | 73 Ų | 73 | 143.8 Ų | 143.8 | 75% | 0.753 | 77% | 0.767 | S | S | * | * | trans | -141.3 | 127.2 | 164.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 365 | N | 28.4 | Very low | 32.7 | Very low | 135 Ų | 135 | 148.5 Ų | 148.5 | 72% | 0.722 | 79% | 0.787 | S | S | * | * | trans | -70.4 | 167.6 | 174.5 | -53.3 | 11.4 | 0 | 0 | 0 | 109.5 | ||||
| 366 | E | 28.1 | Very low | 31.1 | Very low | 163 Ų | 163 | 145.7 Ų | 145.7 | 76% | 0.762 | 80% | 0.797 | S | S | * | * | cis | -161.4 | -173.3 | 16.7 | -142.2 | 141.7 | -113.9 | 0 | 0 | 110.5 | ||||
| 367 | E | 28.2 | Very low | 30.2 | Very low | 188 Ų | 188 | 145.3 Ų | 145.3 | 88% | 0.879 | 81% | 0.805 | S | S | * | * | trans | 96.2 | 159.9 | 167.1 | -54 | -161.3 | 150 | 0 | 0 | 119.5 | ||||
| 368 | E | 27.1 | Very low | 29.5 | Very low | 196 Ų | 196 | 149 Ų | 149 | 92% | 0.916 | 81% | 0.811 | S | S | * | * | trans | -108.6 | 172.4 | -137.1 | -59.6 | -175.3 | 117.4 | 0 | 0 | 117 | ||||
| 369 | C | 19.7 | Very low | 28.8 | Very low | 121 Ų | 121 | 148.6 Ų | 148.6 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | trans | -69.7 | 176.7 | 176.1 | -55.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 370 | P | 36 | Very low | 28.6 | Very low | 116 Ų | 116 | 144 Ų | 144 | 75% | 0.753 | 80% | 0.803 | S | S | * | * | cis | -141.9 | -177.6 | 14.9 | 44.2 | -24.6 | 0 | 0 | 0 | 118.7 | ||||
| 371 | E | 25.6 | Very low | 28.1 | Very low | 182 Ų | 182 | 148.2 Ų | 148.2 | 85% | 0.85 | 81% | 0.814 | S | S | * | * | trans | -21.1 | 143.4 | 159.2 | -57.9 | 164.2 | 174.3 | 0 | 0 | 118.8 | ||||
| 372 | E | 26.6 | Very low | 27.6 | Very low | 189 Ų | 189 | 150.9 Ų | 150.9 | 88% | 0.883 | 82% | 0.815 | S | S | * | * | -166.8 | 120.1 | 121.1 | -108.7 | 174.4 | -151.2 | 0 | 0 | 113.2 | |||||
| 373 | D | 25.5 | Very low | 27.5 | Very low | 146 Ų | 146 | 142.9 Ų | 142.9 | 78% | 0.781 | 81% | 0.809 | S | S | * | * | trans | 41.6 | 126.2 | 141.3 | -75.5 | -0.5 | 0 | 0 | 0 | 126.9 | ||||
| 374 | M | 27.1 | Very low | 27.2 | Very low | 138 Ų | 138 | 144.8 Ų | 144.8 | 68% | 0.68 | 81% | 0.805 | S | S | * | * | 75.5 | 124.6 | 122.6 | -63.5 | -73.7 | -87.7 | 0 | 0 | 124 | |||||
| 375 | E | 25.9 | Very low | 27.2 | Very low | 180 Ų | 180 | 146.9 Ų | 146.9 | 84% | 0.841 | 80% | 0.798 | S | S | * | * | trans | 66.8 | 149.9 | 140.8 | -65.1 | -176.5 | 167.7 | 0 | 0 | 121.6 | ||||
| 376 | G | 27.7 | Very low | 27.2 | Very low | 79 Ų | 79 | 148.2 Ų | 148.2 | 81% | 0.814 | 80% | 0.798 | S | S | * | * | trans | 137 | 78.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 377 | V | 28.3 | Very low | 27.1 | Very low | 140 Ų | 140 | 146.8 Ų | 146.8 | 85% | 0.848 | 80% | 0.8 | S | S | * | * | trans | -115.5 | 152.4 | 165.8 | 176 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 378 | E | 27.5 | Very low | 26.9 | Very low | 177 Ų | 177 | 143 Ų | 143 | 83% | 0.827 | 79% | 0.794 | S | S | * | * | trans | 110.3 | 136.8 | -168.4 | -70.3 | 168.4 | -164.6 | 0 | 0 | 109.7 | ||||
| 379 | D | 26.8 | Very low | 26.7 | Very low | 156 Ų | 156 | 141.5 Ų | 141.5 | 83% | 0.834 | 79% | 0.792 | S | S | * | * | cis | -155.2 | 176.1 | -11.4 | -113.5 | -9.8 | 0 | 0 | 0 | 106.1 | ||||
| 380 | G | 25.2 | Very low | 27.1 | Very low | 56 Ų | 56 | 140.2 Ų | 140.2 | 58% | 0.577 | 79% | 0.79 | S | S | * | * | cis | 139.6 | 88.5 | 13 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 381 | E | 27.4 | Very low | 26.7 | Very low | 195 Ų | 195 | 144.6 Ų | 144.6 | 91% | 0.911 | 80% | 0.797 | S | S | * | * | trans | 63 | 173.8 | 170.3 | -46.4 | -170.8 | 132.5 | 0 | 0 | 114.9 | ||||
| 382 | E | 26.5 | Very low | 26.7 | Very low | 189 Ų | 189 | 144.5 Ų | 144.5 | 88% | 0.883 | 80% | 0.796 | S | S | * | * | cis | -152.9 | 173 | -0.9 | -153.1 | -163.1 | -177.7 | 0 | 0 | 109.4 | ||||
| 383 | G | 27.4 | Very low | 26.7 | Very low | 78 Ų | 78 | 146.8 Ų | 146.8 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | trans | 108.5 | 137 | 151.3 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 384 | D | 27.8 | Very low | 26.6 | Very low | 143 Ų | 143 | 146.8 Ų | 146.8 | 77% | 0.765 | 80% | 0.795 | S | S | * | * | trans | -120.8 | 173.2 | 177.6 | 178.8 | 32.4 | 0 | 0 | 0 | 111.5 | ||||
| 385 | L | 28.7 | Very low | 26.4 | Very low | 117 Ų | 117 | 143.5 Ų | 143.5 | 61% | 0.613 | 80% | 0.797 | S | S | * | * | trans | 107.2 | 82.7 | 157.1 | -57.6 | 164.1 | 0 | 0 | 0 | 119.9 | ||||
| 386 | K | 27.5 | Very low | 26.3 | Very low | 164 Ų | 164 | 140.2 Ų | 140.2 | 71% | 0.713 | 79% | 0.789 | S | S | * | * | 73.4 | 136 | 122.4 | -69.8 | 168.8 | -174.5 | 151.3 | 0 | 123.1 | |||||
| 387 | T | 26.1 | Very low | 26.2 | Very low | 132 Ų | 132 | 144.5 Ų | 144.5 | 81% | 0.81 | 79% | 0.785 | S | S | * | * | trans | 65.3 | 119 | 146.5 | 49.7 | 0 | 0 | 0 | 0 | 119 | ||||
| 388 | S | 24.1 | Very low | 26.1 | Very low | 109 Ų | 109 | 146.9 Ų | 146.9 | 76% | 0.762 | 78% | 0.779 | S | S | * | * | -179.4 | 154.5 | 60.1 | 45.3 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 389 | L | 24.3 | Very low | 26 | Very low | 165 Ų | 165 | 144.2 Ų | 144.2 | 86% | 0.864 | 77% | 0.766 | S | S | * | * | trans | 32.9 | 104.3 | 151.3 | -64.8 | 171 | 0 | 0 | 0 | 122.4 | ||||
| 390 | A | 28.2 | Very low | 26.1 | Very low | 93 Ų | 93 | 146 Ų | 146 | 77% | 0.769 | 76% | 0.761 | S | S | * | * | 51.3 | 121.1 | 123.5 | 0 | 0 | 0 | 0 | 0 | 122 | |||||
| 391 | K | 26.4 | Very low | 26.1 | Very low | 209 Ų | 209 | 149.1 Ų | 149.1 | 91% | 0.909 | 77% | 0.769 | S | S | * | * | trans | -136.4 | 127.5 | 153.6 | -76.9 | 178.5 | -180 | 165.1 | 0 | 111.2 | ||||
| 392 | H | 26 | Very low | 25.9 | Very low | 179 Ų | 179 | 143.9 Ų | 143.9 | 83% | 0.829 | 75% | 0.753 | S | S | * | * | trans | -99.2 | 135 | 169.2 | -106.7 | -127.2 | 0 | 0 | 0 | 110.9 | ||||
| 393 | R | 25.4 | Very low | 25.8 | Very low | 237 Ų | 237 | 143.4 Ų | 143.4 | 89% | 0.894 | 76% | 0.755 | S | S | * | * | trans | -146.5 | 122.7 | 159.7 | -83.9 | -174.2 | 175.1 | 176.1 | -3.5 | 104.9 | ||||
| 394 | I | 23.5 | Very low | 25.6 | Very low | 147 Ų | 147 | 147.8 Ų | 147.8 | 75% | 0.754 | 76% | 0.755 | S | S | * | * | cis | 56.7 | 106.5 | 44.2 | -44.2 | 172.5 | 0 | 0 | 0 | 110.2 | ||||
| 395 | G | 22.8 | Very low | 25.5 | Very low | 69 Ų | 69 | 149 Ų | 149 | 71% | 0.711 | 76% | 0.759 | S | S | * | * | cis | -171.9 | -154.6 | -4.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 396 | T | 25.1 | Very low | 25.5 | Very low | 111 Ų | 111 | 148 Ų | 148 | 68% | 0.681 | 76% | 0.76 | S | S | * | * | cis | -165.9 | 152 | 7.6 | 55.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 397 | K | 24.5 | Very low | 25.5 | Very low | 169 Ų | 169 | 148.1 Ų | 148.1 | 74% | 0.735 | 76% | 0.763 | S | S | * | * | trans | 58.2 | 135 | 135 | -75.1 | 172.1 | -176.9 | 170.8 | 0 | 118.5 | ||||
| 398 | R | 27.1 | Very low | 25.7 | Very low | 190 Ų | 190 | 148.8 Ų | 148.8 | 72% | 0.717 | 76% | 0.757 | S | S | * | * | cis | -178.7 | 174.5 | 31.4 | -99.9 | 160.1 | 167.1 | 164.9 | -6.2 | 107.1 | ||||
| 399 | H | 26.2 | Very low | 25.7 | Very low | 120 Ų | 120 | 149.7 Ų | 149.7 | 56% | 0.556 | 76% | 0.758 | S | S | * | * | cis | -153.4 | 150.5 | -1.2 | -105.9 | 155.7 | 0 | 0 | 0 | 106.3 | ||||
| 400 | R | 27.9 | Very low | 25.7 | Very low | 194 Ų | 194 | 145.7 Ų | 145.7 | 73% | 0.732 | 74% | 0.744 | S | S | * | * | 68 | 137.1 | 71.4 | -138.7 | -176.8 | -176 | 167.1 | 1.1 | 111.6 | |||||
| 401 | V | 25.5 | Very low | 25.5 | Very low | 121 Ų | 121 | 149.8 Ų | 149.8 | 73% | 0.733 | 75% | 0.747 | S | S | * | * | -158.2 | 123.8 | 53.6 | 169.4 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 402 | C | 23.1 | Very low | 25.5 | Very low | 85 Ų | 85 | 144.7 Ų | 144.7 | 57% | 0.574 | 74% | 0.738 | S | S | * | * | 64.7 | 133.7 | 90.8 | -45 | 0 | 0 | 0 | 0 | 117.9 | |||||
| 403 | L | 24.2 | Very low | 25.5 | Very low | 179 Ų | 179 | 144.5 Ų | 144.5 | 94% | 0.937 | 74% | 0.737 | S | S | * | * | trans | -138.7 | 159 | 138.7 | -91.9 | 178.5 | 0 | 0 | 0 | 108.3 | ||||
| 404 | E | 23.6 | Very low | 25.5 | Very low | 170 Ų | 170 | 140.7 Ų | 140.7 | 79% | 0.794 | 73% | 0.734 | S | S | * | * | trans | -133.4 | 158.6 | -162.6 | -57.9 | 171.7 | 145.4 | 0 | 0 | 111.9 | ||||
| 405 | I | 26.1 | Very low | 25.3 | Very low | 168 Ų | 168 | 143 Ų | 143 | 86% | 0.862 | 74% | 0.739 | S | S | * | * | trans | -142 | 124.6 | 164.4 | -54.8 | -177.4 | 0 | 0 | 0 | 110.2 | ||||
| 406 | P | 27.7 | Very low | 26.2 | Very low | 97 Ų | 97 | 144.7 Ų | 144.7 | 63% | 0.63 | 74% | 0.737 | S | S | * | * | trans | -82.7 | 155.3 | 175.4 | -10.5 | 29.3 | 0 | 0 | 0 | 114.2 | ||||
| 407 | Q | 27.9 | Very low | 26.2 | Very low | 166 Ų | 166 | 146.8 Ų | 146.8 | 78% | 0.776 | 74% | 0.737 | S | S | * | * | 62.6 | 144.7 | 83.4 | -63.4 | 177.1 | -88.7 | 0 | 0 | 114.7 | |||||
| 408 | E | 29.3 | Very low | 26.1 | Very low | 147 Ų | 147 | 145.5 Ų | 145.5 | 69% | 0.687 | 73% | 0.733 | S | S | * | * | cis | -169.9 | 166.9 | 8.6 | -135.2 | 170.7 | -145.8 | 0 | 0 | 115.6 | ||||
| 409 | V | 25.3 | Very low | 25.9 | Very low | 127 Ų | 127 | 144.3 Ų | 144.3 | 77% | 0.77 | 74% | 0.736 | S | S | * | * | trans | 48.4 | 164.9 | 159.3 | -97.6 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 410 | S | 23.5 | Very low | 25.7 | Very low | 82 Ų | 82 | 145.4 Ų | 145.4 | 57% | 0.573 | 75% | 0.745 | S | S | * | * | cis | -152 | 175.8 | -1.6 | -150.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 411 | Q | 24.8 | Very low | 25.3 | Very low | 179 Ų | 179 | 140.5 Ų | 140.5 | 84% | 0.836 | 74% | 0.741 | S | S | * | * | trans | 14.6 | 153 | 142 | -73.3 | 155.9 | -18.5 | 0 | 0 | 121.6 | ||||
| 412 | S | 26.6 | Very low | 25.1 | Very low | 102 Ų | 102 | 139.1 Ų | 139.1 | 71% | 0.713 | 74% | 0.736 | S | S | * | * | cis | -166.6 | 156.5 | 14.6 | 46 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 413 | E | 25.6 | Very low | 25.1 | Very low | 174 Ų | 174 | 142.3 Ų | 142.3 | 81% | 0.813 | 74% | 0.743 | S | S | * | * | trans | 45.6 | 141.8 | 141.1 | -65.2 | -166.5 | 167.2 | 0 | 0 | 125.9 | ||||
| 414 | L | 24.8 | Very low | 25.3 | Very low | 158 Ų | 158 | 140.8 Ų | 140.8 | 83% | 0.827 | 73% | 0.731 | S | S | * | * | trans | 87.1 | 138.8 | 147.8 | -75 | 160.2 | 0 | 0 | 0 | 123 | ||||
| 415 | F | 20.7 | Very low | 25.2 | Very low | 196 Ų | 196 | 142.6 Ų | 142.6 | 86% | 0.86 | 73% | 0.732 | S | S | * | * | trans | -84.7 | -175.7 | 171.6 | -70 | -94.9 | 0 | 0 | 0 | 110.9 | ||||
| 416 | P | 41.5 | Very low | 25.1 | Very low | 104 Ų | 104 | 141.3 Ų | 141.3 | 68% | 0.675 | 72% | 0.722 | S | S | * | * | cis | -142.4 | -177.5 | 5.6 | 41.4 | -21.1 | 0 | 0 | 0 | 118.1 | ||||
| 417 | K | 24.3 | Very low | 24.9 | Very low | 154 Ų | 154 | 143.5 Ų | 143.5 | 67% | 0.67 | 73% | 0.726 | S | S | * | * | trans | 69.4 | 130.2 | 138 | -89.2 | 168.8 | 161.1 | -80.1 | 0 | 123.1 | ||||
| 418 | E | 23.1 | Very low | 24.7 | Very low | 142 Ų | 142 | 141.1 Ų | 141.1 | 66% | 0.664 | 72% | 0.723 | S | S | * | * | 74.7 | 146.4 | 129.2 | -75.5 | 158.8 | 179.6 | 0 | 0 | 124 | |||||
| 419 | E | 22.1 | Very low | 24.6 | Very low | 166 Ų | 166 | 141.8 Ų | 141.8 | 78% | 0.776 | 73% | 0.726 | S | S | * | * | trans | 74.9 | 137.8 | 156.3 | -77.1 | 179 | -164.6 | 0 | 0 | 122.8 | ||||
| 420 | L | 22.1 | Very low | 24.4 | Very low | 142 Ų | 142 | 141.6 Ų | 141.6 | 74% | 0.743 | 73% | 0.729 | S | S | * | * | trans | 42.4 | 101.8 | 143.3 | -57.5 | 168.2 | 0 | 0 | 0 | 117.8 | ||||
| 421 | S | 19.2 | Very low | 24.9 | Very low | 92 Ų | 92 | 143.1 Ų | 143.1 | 64% | 0.643 | 74% | 0.737 | S | S | * | * | 68.7 | 130.5 | 71.2 | 77.9 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 422 | S | 21.9 | Very low | 25 | Very low | 91 Ų | 91 | 139.4 Ų | 139.4 | 64% | 0.636 | 74% | 0.737 | S | S | * | * | trans | 71.5 | 112.5 | 162.3 | -72.7 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 423 | E | 23.2 | Very low | 25 | Very low | 152 Ų | 152 | 138.6 Ų | 138.6 | 71% | 0.71 | 74% | 0.736 | S | S | * | * | 84.6 | 160.2 | 86.7 | -76.5 | 172.9 | 122 | 0 | 0 | 112.1 | |||||
| 424 | Q | 27.2 | Very low | 25 | Very low | 148 Ų | 148 | 138.7 Ų | 138.7 | 69% | 0.692 | 74% | 0.741 | S | S | * | * | cis | -160.7 | 155.2 | -1 | -125.7 | 169.8 | 40.8 | 0 | 0 | 108.1 | ||||
| 425 | Y | 22.7 | Very low | 24.8 | Very low | 208 Ų | 208 | 135.1 Ų | 135.1 | 82% | 0.816 | 74% | 0.735 | S | S | * | * | trans | -157.3 | 130.7 | 152.7 | -108.8 | -94.9 | 0 | 0 | 0 | 105.8 | ||||
| 426 | E | 23.4 | Very low | 25.5 | Very low | 141 Ų | 141 | 131.2 Ų | 131.2 | 66% | 0.659 | 73% | 0.729 | S | S | * | * | cis | -154.1 | 152.2 | 3.7 | -153.8 | 171.4 | -172.1 | 0 | 0 | 111.4 | ||||
| 427 | M | 24.6 | Very low | 24.6 | Very low | 142 Ų | 142 | 132.6 Ų | 132.6 | 70% | 0.7 | 74% | 0.735 | S | S | * | * | trans | 20.1 | 138.7 | 160.2 | -74.8 | 151.2 | 54.7 | 0 | 0 | 121.5 | ||||
| 428 | T | 23.4 | Very low | 24.4 | Very low | 117 Ų | 117 | 136.1 Ų | 136.1 | 72% | 0.718 | 74% | 0.744 | S | S | * | * | -154.4 | 118.8 | 55.1 | -51.7 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 429 | E | 27 | Very low | 24.9 | Very low | 160 Ų | 160 | 134.5 Ų | 134.5 | 75% | 0.748 | 75% | 0.746 | S | S | * | * | trans | 30.4 | 117.1 | 148.2 | -56 | -173.1 | 150.3 | 0 | 0 | 120.6 | ||||
| 430 | C | 20.9 | Very low | 24.9 | Very low | 124 Ų | 124 | 132.2 Ų | 132.2 | 84% | 0.838 | 74% | 0.744 | S | S | * | * | 84.5 | 155.6 | 63 | -69.9 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 431 | P | 34.1 | Very low | 25 | Very low | 114 Ų | 114 | 133.9 Ų | 133.9 | 74% | 0.74 | 75% | 0.747 | S | S | * | * | cis | -132.5 | 172.1 | 4.3 | 42.6 | -27.3 | 0 | 0 | 0 | 116.8 | ||||
| 432 | A | 26.3 | Very low | 25.2 | Very low | 101 Ų | 101 | 134.6 Ų | 134.6 | 84% | 0.835 | 75% | 0.753 | S | S | * | * | trans | 62.5 | 146.8 | 151.7 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 433 | A | 26.9 | Very low | 25.3 | Very low | 85 Ų | 85 | 135.1 Ų | 135.1 | 70% | 0.702 | 76% | 0.756 | S | S | * | * | cis | -166.4 | 158.9 | -16.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 434 | L | 25.7 | Very low | 25.4 | Very low | 175 Ų | 175 | 133.7 Ų | 133.7 | 92% | 0.916 | 76% | 0.757 | S | S | * | * | trans | 66.5 | 127.4 | 156 | -69.4 | 168.1 | 0 | 0 | 0 | 122 | ||||
| 435 | A | 20.8 | Very low | 25.3 | Very low | 84 Ų | 84 | 136.7 Ų | 136.7 | 69% | 0.694 | 76% | 0.762 | S | S | * | * | trans | -90.9 | -173 | 146 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 436 | P | 35.4 | Very low | 25.5 | Very low | 113 Ų | 113 | 134.3 Ų | 134.3 | 73% | 0.734 | 76% | 0.759 | S | S | * | * | cis | -150 | -176.8 | 13.5 | 44.5 | -23.2 | 0 | 0 | 0 | 118.5 | ||||
| 437 | V | 21.7 | Very low | 25.7 | Very low | 133 Ų | 133 | 132.7 Ų | 132.7 | 81% | 0.806 | 76% | 0.758 | S | S | * | * | trans | 69.6 | 157.1 | 142.9 | 160.3 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 438 | R | 21.4 | Very low | 25.8 | Very low | 228 Ų | 228 | 133.8 Ų | 133.8 | 86% | 0.86 | 76% | 0.762 | S | S | * | * | trans | -53.8 | 175.6 | 173.8 | -49 | 172.1 | 168.6 | 171.8 | -5.6 | 113.5 | ||||
| 439 | P | 32.9 | Very low | 26.2 | Very low | 109 Ų | 109 | 135.9 Ų | 135.9 | 71% | 0.708 | 77% | 0.768 | S | S | * | * | cis | -148.9 | -173.7 | 16.1 | 36.3 | -10.8 | 0 | 0 | 0 | 119 | ||||
| 440 | T | 21.6 | Very low | 26.1 | Very low | 117 Ų | 117 | 131.8 Ų | 131.8 | 72% | 0.718 | 77% | 0.769 | S | S | * | * | trans | 62.8 | 114.8 | 144.8 | 42.7 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 441 | H | 25.3 | Very low | 26.5 | Very low | 177 Ų | 177 | 133.1 Ų | 133.1 | 82% | 0.819 | 77% | 0.767 | S | S | * | * | 68.6 | 132.3 | 127.6 | -95.3 | -98.1 | 0 | 0 | 0 | 123.9 | |||||
| 442 | S | 23.2 | Very low | 26.1 | Very low | 108 Ų | 108 | 132.8 Ų | 132.8 | 76% | 0.755 | 76% | 0.763 | S | S | * | * | trans | 77.1 | 150.6 | 155.5 | 92.3 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 443 | S | 24.3 | Very low | 25.9 | Very low | 101 Ų | 101 | 136.7 Ų | 136.7 | 71% | 0.706 | 76% | 0.761 | S | S | * | * | cis | -155.1 | 148.8 | 11.9 | -104.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 444 | V | 24.9 | Very low | 27.1 | Very low | 122 Ų | 122 | 137.1 Ų | 137.1 | 74% | 0.739 | 76% | 0.757 | S | S | * | * | trans | 49 | 104.6 | 138.7 | -173.5 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 445 | R | 24.7 | Very low | 27.1 | Very low | 212 Ų | 212 | 135.3 Ų | 135.3 | 80% | 0.8 | 75% | 0.749 | S | S | * | * | 43.6 | 139.7 | 127.6 | -63.1 | -176.5 | 173.9 | -175.5 | -2.6 | 123.6 | |||||
| 446 | Q | 27.6 | Very low | 27.5 | Very low | 157 Ų | 157 | 140.7 Ų | 140.7 | 73% | 0.734 | 75% | 0.752 | S | S | * | * | trans | 70.9 | 149.1 | 141.6 | -73.6 | 170.7 | -56.1 | 0 | 0 | 117 | ||||
| 447 | V | 26.8 | Very low | 27.4 | Very low | 108 Ų | 108 | 139.8 Ų | 139.8 | 66% | 0.655 | 75% | 0.749 | S | S | * | * | cis | -137.6 | -167.4 | -0.9 | -115.5 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 448 | E | 27.5 | Very low | 27.6 | Very low | 164 Ų | 164 | 140 Ų | 140 | 77% | 0.766 | 75% | 0.745 | S | S | * | * | cis | -156.4 | 171.9 | 17.3 | -155.9 | 72.2 | -90.8 | 0 | 0 | 109.6 | ||||
| 449 | D | 30.8 | Very low | 28.1 | Very low | 161 Ų | 161 | 133.4 Ų | 133.4 | 86% | 0.861 | 73% | 0.734 | S | S | * | * | trans | -90.1 | 167.2 | 175.7 | -84.6 | -59.4 | 0 | 0 | 0 | 115 | ||||
| 450 | G | 25.6 | Very low | 27.8 | Very low | 74 Ų | 74 | 134.5 Ų | 134.5 | 76% | 0.763 | 74% | 0.739 | S | S | * | * | trans | -169.6 | 133.5 | 168.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 451 | L | 28.5 | Very low | 28.2 | Very low | 153 Ų | 153 | 135.1 Ų | 135.1 | 80% | 0.801 | 73% | 0.734 | S | S | * | * | trans | -127.1 | 142.2 | -162.5 | -73.6 | 169.2 | 0 | 0 | 0 | 115.8 | ||||
| 452 | T | 25.6 | Very low | 28.3 | Very low | 106 Ų | 106 | 132.6 Ų | 132.6 | 65% | 0.65 | 73% | 0.731 | S | S | * | * | trans | 56.9 | 155.5 | 149.8 | 59.3 | 0 | 0 | 0 | 0 | 119 | ||||
| 453 | F | 23.6 | Very low | 28.5 | Very low | 183 Ų | 183 | 134 Ų | 134 | 80% | 0.803 | 72% | 0.723 | S | S | * | * | cis | -162.8 | -171.6 | 34.4 | -94.6 | -65.4 | 0 | 0 | 0 | 109.1 | ||||
| 454 | P | 51.3 | Low | 28.5 | Very low | 94 Ų | 94 | 137.7 Ų | 137.7 | 61% | 0.61 | 73% | 0.727 | S | S | * | * | cis | -137.7 | -161.8 | -36.2 | 37.4 | -16.5 | 0 | 0 | 0 | 114.4 | ||||
| 455 | D | 25.6 | Very low | 28.7 | Very low | 138 Ų | 138 | 139.7 Ų | 139.7 | 74% | 0.738 | 73% | 0.728 | S | S | * | * | trans | 77.9 | 147 | 146.4 | -72.4 | -5.4 | 0 | 0 | 0 | 123 | ||||
| 456 | Y | 29 | Very low | 29.1 | Very low | 197 Ų | 197 | 135.7 Ų | 135.7 | 77% | 0.773 | 72% | 0.718 | S | S | * | * | cis | -169.8 | 164.2 | -20 | -157 | -102.2 | 0 | 0 | 0 | 112.8 | ||||
| 457 | S | 34 | Very low | 29.2 | Very low | 94 Ų | 94 | 135 Ų | 135 | 66% | 0.657 | 72% | 0.719 | S | S | * | * | trans | 60.8 | 157.6 | 164.8 | 45.7 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 458 | D | 24.6 | Very low | 29.3 | Very low | 136 Ų | 136 | 136.2 Ų | 136.2 | 73% | 0.727 | 72% | 0.715 | S | S | * | * | cis | -153.5 | 145 | -5.4 | -118.1 | -7 | 0 | 0 | 0 | 108.2 | ||||
| 459 | S | 32.2 | Very low | 29.2 | Very low | 90 Ų | 90 | 135 Ų | 135 | 63% | 0.629 | 71% | 0.714 | S | S | * | * | 74.7 | 139.9 | 69.2 | -50.1 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 460 | T | 28 | Very low | 28.9 | Very low | 133 Ų | 133 | 134.3 Ų | 134.3 | 82% | 0.816 | 72% | 0.716 | S | S | * | * | cis | -164.9 | 178.5 | -5.7 | 13.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 461 | E | 29.3 | Very low | 28.9 | Very low | 130 Ų | 130 | 137.5 Ų | 137.5 | 61% | 0.607 | 71% | 0.708 | S | S | * | * | trans | -46.7 | 179.2 | 177.5 | -44.4 | 178.9 | 121.7 | 0 | 0 | 119.3 | K463 | E461-K463 HydrophobicContact CB-CD 4.4Å; E461-K463 WeakPolarHBondContact OE1-CD 3.24Å; E461-K463 IonicContact OE1-NZ 3.76Å; E461-K463 PolarHBondContact OE1-NZ 2.82Å; E461-K463 VanDerWaalsContact OE2-CD 3.31Å; E461-K463 WeakPolarHBondContact OE2-CD 3.37Å; E461-K463 IonicContact OE2-NZ 3.58Å; E461-K463 PolarHBondContact OE2-NZ 3.11Å | ||
| 462 | V | 26.4 | Very low | 28.9 | Very low | 124 Ų | 124 | 136.3 Ų | 136.3 | 75% | 0.752 | 70% | 0.702 | S | S | * | * | -171.3 | 151.7 | 77.1 | 153.4 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 463 | K | 27.7 | Very low | 28.9 | Very low | 137 Ų | 137 | 139.4 Ų | 139.4 | 60% | 0.596 | 71% | 0.709 | S | S | * | * | cis | 123 | 96 | -8.4 | -175 | 172.5 | 171.3 | 177.7 | 0 | 116 | E461 | E461-K463 HydrophobicContact CB-CD 4.4Å; E461-K463 WeakPolarHBondContact OE1-CD 3.24Å; E461-K463 IonicContact OE1-NZ 3.76Å; E461-K463 PolarHBondContact OE1-NZ 2.82Å; E461-K463 VanDerWaalsContact OE2-CD 3.31Å; E461-K463 WeakPolarHBondContact OE2-CD 3.37Å; E461-K463 IonicContact OE2-NZ 3.58Å; E461-K463 PolarHBondContact OE2-NZ 3.11Å | ||
| 464 | F | 24.8 | Very low | 29.1 | Very low | 178 Ų | 178 | 136.5 Ų | 136.5 | 78% | 0.781 | 70% | 0.698 | S | S | * | * | trans | -151 | 137.4 | 170.8 | -96.1 | -95.2 | 0 | 0 | 0 | 109 | ||||
| 465 | E | 30 | Very low | 28 | Very low | 164 Ų | 164 | 141 Ų | 141 | 77% | 0.766 | 71% | 0.711 | S | S | * | * | cis | 110.8 | 144.4 | 24.4 | -85.3 | -172.3 | 175.9 | 0 | 0 | 112.3 | ||||
| 466 | E | 31.9 | Very low | 28 | Very low | 129 Ų | 129 | 141.3 Ų | 141.3 | 60% | 0.603 | 71% | 0.713 | S | S | * | * | cis | -131.8 | -144.2 | -20.8 | -150.2 | -159.4 | 167.5 | 0 | 0 | 109.5 | K468 | E466-K468 IonicContact OE1-NZ 2.61Å; E466-K468 PolarHBondContact OE1-NZ 3.03Å; E466-K468 IonicContact OE2-NZ 2.65Å; E466-K468 PolarHBondContact OE2-NZ 2.86Å | ||
| 467 | L | 29.8 | Very low | 28.1 | Very low | 141 Ų | 141 | 140.8 Ų | 140.8 | 74% | 0.738 | 72% | 0.717 | S | S | * | * | cis | -143.2 | 161.5 | 17.6 | -80.3 | 166.8 | 0 | 0 | 0 | 108.4 | ||||
| 468 | K | 28.5 | Very low | 27.8 | Very low | 135 Ų | 135 | 144.7 Ų | 144.7 | 59% | 0.587 | 73% | 0.725 | S | S | * | * | 54.3 | 135.5 | 65.3 | -60.5 | -169.3 | 179.9 | 70.1 | 0 | 116.1 | E466 | E466-K468 IonicContact OE1-NZ 2.61Å; E466-K468 PolarHBondContact OE1-NZ 3.03Å; E466-K468 IonicContact OE2-NZ 2.65Å; E466-K468 PolarHBondContact OE2-NZ 2.86Å | |||
| 469 | N | 25.7 | Very low | 27.9 | Very low | 139 Ų | 139 | 147 Ų | 147 | 74% | 0.743 | 73% | 0.731 | S | S | * | * | cis | -153.7 | 163.4 | -1.8 | -102 | -1.8 | 0 | 0 | 0 | 109.1 | ||||
| 470 | V | 25.1 | Very low | 27.7 | Very low | 146 Ų | 146 | 149.3 Ų | 149.3 | 89% | 0.885 | 73% | 0.732 | S | S | * | * | -164.4 | 153 | 79.2 | 160.8 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 471 | K | 25.8 | Very low | 27.7 | Very low | 140 Ų | 140 | 149.8 Ų | 149.8 | 61% | 0.609 | 73% | 0.725 | S | S | * | * | trans | -134.5 | 172.3 | -172.4 | 177.8 | -97.9 | 178.9 | -174.4 | 0 | 111.4 | E474 | K471-E474 IonicContact NZ-OE1 2.66Å; K471-E474 PolarHBondContact NZ-OE1 2.78Å; K471-E474 IonicContact NZ-OE2 3.14Å; K471-E474 PolarHBondContact NZ-OE2 3.16Å | ||
| 472 | L | 27.3 | Very low | 27.7 | Very low | 129 Ų | 129 | 152.1 Ų | 152.1 | 68% | 0.675 | 74% | 0.736 | S | S | * | * | trans | 109.6 | 139.7 | -177.8 | -66.2 | 169.7 | 0 | 0 | 0 | 110.2 | E474 | L472-E474 WeakPolarHBondContact CD2-OE2 3.44Š| ||
| 473 | E | 25.7 | Very low | 27.8 | Very low | 170 Ų | 170 | 151 Ų | 151 | 79% | 0.794 | 74% | 0.74 | S | S | * | * | cis | -134.5 | 149.8 | 3 | -56.9 | 173.7 | 153.5 | 0 | 0 | 107.1 | ||||
| 474 | E | 27.8 | Very low | 27.9 | Very low | 122 Ų | 122 | 149.5 Ų | 149.5 | 57% | 0.57 | 75% | 0.753 | S | S | * | * | cis | 71.6 | 143.2 | 39.4 | -68.1 | 159.6 | 153.7 | 0 | 0 | 112.6 | K471 L472 | K471-E474 IonicContact NZ-OE1 2.66Å; K471-E474 PolarHBondContact NZ-OE1 2.78Å; K471-E474 IonicContact NZ-OE2 3.14Å; K471-E474 PolarHBondContact NZ-OE2 3.16Å; L472-E474 WeakPolarHBondContact CD2-OE2 3.44Å | ||
| 475 | E | 28.2 | Very low | 27.9 | Very low | 189 Ų | 189 | 146 Ų | 146 | 88% | 0.883 | 76% | 0.757 | S | S | * | * | cis | -117.7 | -160.8 | 21.7 | -59.7 | 167.2 | 124.5 | 0 | 0 | 114.2 | ||||
| 476 | D | 26.3 | Very low | 27.8 | Very low | 145 Ų | 145 | 146.4 Ų | 146.4 | 78% | 0.775 | 76% | 0.763 | S | S | * | * | trans | -103.2 | -152.3 | -159.9 | -50.9 | -85.2 | 0 | 0 | 0 | 115.3 | ||||
| 477 | E | 30.3 | Very low | 27.4 | Very low | 186 Ų | 186 | 147 Ų | 147 | 87% | 0.869 | 77% | 0.771 | S | S | * | * | cis | -117.7 | 172.3 | 23.9 | -57.7 | 161.1 | 124.3 | 0 | 0 | 111.6 | ||||
| 478 | E | 29.1 | Very low | 27.3 | Very low | 175 Ų | 175 | 146.8 Ų | 146.8 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | cis | 75.9 | 142.7 | 28 | -56.4 | -159.5 | 132 | 0 | 0 | 116.2 | ||||
| 479 | E | 26.9 | Very low | 27 | Very low | 184 Ų | 184 | 145.3 Ų | 145.3 | 86% | 0.86 | 78% | 0.776 | S | S | * | * | cis | -113.6 | 171.8 | 0.3 | -50.1 | 173.2 | 100.5 | 0 | 0 | 111.4 | ||||
| 480 | E | 26.8 | Very low | 27 | Very low | 139 Ų | 139 | 145.5 Ų | 145.5 | 65% | 0.65 | 78% | 0.782 | S | S | * | * | cis | 79.6 | 149.6 | 14.1 | -52.6 | -67.6 | 50.9 | 0 | 0 | 117.1 | ||||
| 481 | Q | 29 | Very low | 27.1 | Very low | 144 Ų | 144 | 145.3 Ų | 145.3 | 67% | 0.673 | 78% | 0.776 | S | S | * | * | cis | -154.5 | 152.4 | -32.6 | -131.8 | 176.9 | 58.1 | 0 | 0 | 113.1 | ||||
| 482 | E | 28.4 | Very low | 27.8 | Very low | 179 Ų | 179 | 144.2 Ų | 144.2 | 84% | 0.836 | 78% | 0.784 | S | S | * | * | trans | 14.8 | 146.6 | 140 | -163.7 | 173.6 | -99.9 | 0 | 0 | 125 | ||||
| 483 | A | 28.6 | Very low | 27.8 | Very low | 101 Ų | 101 | 142.6 Ų | 142.6 | 84% | 0.835 | 79% | 0.789 | S | S | * | * | trans | -168.4 | 153.2 | 142.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 484 | A | 30 | Very low | 28 | Very low | 105 Ų | 105 | 139.5 Ų | 139.5 | 87% | 0.868 | 79% | 0.786 | S | S | * | * | trans | -142.4 | 160.7 | 179 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 485 | A | 24.9 | Very low | 28 | Very low | 104 Ų | 104 | 140.7 Ų | 140.7 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | trans | -159.4 | 175.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 486 | L | 27.6 | Very low | 27.9 | Very low | 172 Ų | 172 | 135.2 Ų | 135.2 | 90% | 0.901 | 80% | 0.795 | S | S | * | * | trans | -128.8 | 140.5 | -157.2 | -78.2 | 164.8 | 0 | 0 | 0 | 117.2 | ||||
| 487 | D | 23.4 | Very low | 27.9 | Very low | 142 Ų | 142 | 131.8 Ų | 131.8 | 76% | 0.759 | 79% | 0.794 | S | S | * | * | trans | 69.6 | 157.3 | 134 | -149.8 | 16.6 | 0 | 0 | 0 | 124 | ||||
| 488 | L | 27.4 | Very low | 27.8 | Very low | 136 Ų | 136 | 134.2 Ų | 134.2 | 71% | 0.712 | 80% | 0.796 | S | S | * | * | trans | 72.7 | 101 | 163.4 | -61 | -173.2 | 0 | 0 | 0 | 122.9 | ||||
| 489 | S | 23.3 | Very low | 27.5 | Very low | 104 Ų | 104 | 132.5 Ų | 132.5 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | 108.4 | 156 | 108.4 | 77.2 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 490 | V | 25.1 | Very low | 27.4 | Very low | 143 Ų | 143 | 129 Ų | 129 | 87% | 0.867 | 78% | 0.782 | S | S | * | * | trans | 86 | 143.3 | 164.5 | -168.1 | 0 | 0 | 0 | 0 | 119 | ||||
| 491 | N | 26.9 | Very low | 27.2 | Very low | 143 Ų | 143 | 131.2 Ų | 131.2 | 77% | 0.765 | 79% | 0.79 | S | S | * | * | trans | -116.3 | 158.4 | -171.6 | -128.6 | -40.2 | 0 | 0 | 0 | 108.9 | ||||
| 492 | P | 41.1 | Very low | 27 | Very low | 117 Ų | 117 | 130 Ų | 130 | 76% | 0.76 | 80% | 0.797 | S | S | * | * | -161.4 | 162.6 | 81 | 41.5 | -20.9 | 0 | 0 | 0 | 119.9 | |||||
| 493 | A | 26.6 | Very low | 26.7 | Very low | 95 Ų | 95 | 125.1 Ų | 125.1 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | trans | 69.6 | 155.2 | 152 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 494 | S | 29.3 | Very low | 26.6 | Very low | 104 Ų | 104 | 125.8 Ų | 125.8 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | cis | -151.3 | 150.1 | 20.3 | 67.2 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 495 | V | 28.8 | Very low | 26.5 | Very low | 148 Ų | 148 | 128.1 Ų | 128.1 | 90% | 0.897 | 79% | 0.787 | S | S | * | * | trans | 49.5 | 131.8 | 150.8 | -178.7 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 496 | G | 26.6 | Very low | 26.5 | Very low | 73 Ų | 73 | 131 Ų | 131 | 75% | 0.753 | 78% | 0.78 | S | S | * | * | cis | 156.8 | 152.5 | -6.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 497 | G | 26 | Very low | 26.3 | Very low | 74 Ų | 74 | 131.5 Ų | 131.5 | 76% | 0.763 | 78% | 0.775 | S | S | * | * | trans | 103.6 | 123.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 498 | R | 27.5 | Very low | 26.3 | Very low | 237 Ų | 237 | 129.4 Ų | 129.4 | 89% | 0.894 | 77% | 0.771 | S | S | * | * | 71.7 | 136.8 | 54.4 | -77.1 | -158.3 | 168.9 | -157 | -0.5 | 114.4 | |||||
| 499 | L | 23.9 | Very low | 27 | Very low | 138 Ų | 138 | 128.1 Ų | 128.1 | 72% | 0.723 | 77% | 0.771 | S | S | * | * | cis | -174.1 | 171 | -20.4 | -124.5 | -176.3 | 0 | 0 | 0 | 109.1 | ||||
| 500 | V | 23.4 | Very low | 27.2 | Very low | 112 Ų | 112 | 127.6 Ų | 127.6 | 68% | 0.679 | 77% | 0.767 | S | S | * | * | trans | 67.5 | 103.9 | 155.1 | 175.2 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 501 | F | 23 | Very low | 27.3 | Very low | 185 Ų | 185 | 128.9 Ų | 128.9 | 81% | 0.811 | 77% | 0.768 | S | S | * | * | 35.6 | 129.9 | 125.6 | -79.3 | -91.3 | 0 | 0 | 0 | 123.8 | |||||
| 502 | S | 24.6 | Very low | 27.2 | Very low | 117 Ų | 117 | 125.4 Ų | 125.4 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | trans | 75.2 | 140.6 | 131.3 | 74.3 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 503 | G | 23.8 | Very low | 26.5 | Very low | 78 Ų | 78 | 125.5 Ų | 125.5 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | trans | 162.8 | 88 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 504 | S | 26.3 | Very low | 26.4 | Very low | 114 Ų | 114 | 124.8 Ų | 124.8 | 80% | 0.797 | 77% | 0.772 | S | S | * | * | trans | -91.8 | 161 | -168.7 | -53.1 | 0 | 0 | 0 | 0 | 115 | ||||
| 505 | Q | 26.6 | Very low | 26.4 | Very low | 154 Ų | 154 | 124.9 Ų | 124.9 | 72% | 0.72 | 77% | 0.773 | S | S | * | * | trans | 92.2 | 140.4 | 152 | -63 | -167.2 | -7.4 | 0 | 0 | 121.9 | ||||
| 506 | K | 24.9 | Very low | 26.4 | Very low | 164 Ų | 164 | 122.4 Ų | 122.4 | 71% | 0.713 | 76% | 0.762 | S | S | * | * | trans | 97.4 | 108.3 | 141.1 | -81.8 | 149.2 | 177.7 | 155.6 | 0 | 120.6 | ||||
| 507 | K | 24.1 | Very low | 26.5 | Very low | 183 Ų | 183 | 129.1 Ų | 129.1 | 80% | 0.796 | 76% | 0.764 | S | S | * | * | 64.9 | 108 | 129.5 | -66.8 | -170.5 | 174.1 | -168.5 | 0 | 119.8 | |||||
| 508 | S | 23.8 | Very low | 26.5 | Very low | 98 Ų | 98 | 131.9 Ų | 131.9 | 69% | 0.685 | 76% | 0.762 | S | S | * | * | 24.6 | 145.6 | 109.3 | 66.2 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 509 | P | 42 | Very low | 26.5 | Very low | 110 Ų | 110 | 125 Ų | 125 | 71% | 0.714 | 75% | 0.75 | S | S | * | * | cis | -153.9 | 179.3 | 40.3 | 40.2 | -17.5 | 0 | 0 | 0 | 119.7 | ||||
| 510 | S | 27.3 | Very low | 26.5 | Very low | 92 Ų | 92 | 125.7 Ų | 125.7 | 64% | 0.643 | 75% | 0.753 | S | S | * | * | trans | 72.6 | 129.9 | 134.3 | 64.5 | 0 | 0 | 0 | 0 | 125.7 | ||||
| 511 | L | 27.1 | Very low | 26.6 | Very low | 170 Ų | 170 | 125.3 Ų | 125.3 | 89% | 0.89 | 76% | 0.755 | S | S | * | * | 79.6 | 146.1 | 129.2 | -74 | 167.7 | 0 | 0 | 0 | 123 | |||||
| 512 | G | 24.5 | Very low | 26.8 | Very low | 70 Ų | 70 | 120.6 Ų | 120.6 | 72% | 0.722 | 75% | 0.745 | S | S | * | * | trans | 100.8 | 105.1 | 168.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 513 | S | 27.2 | Very low | 26.8 | Very low | 119 Ų | 119 | 121.3 Ų | 121.3 | 83% | 0.832 | 74% | 0.74 | S | S | * | * | cis | 96.7 | 118.3 | 24.9 | -55.8 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 514 | G | 24.6 | Very low | 27.1 | Very low | 80 Ų | 80 | 122.9 Ų | 122.9 | 83% | 0.825 | 74% | 0.738 | S | S | * | * | trans | 88.4 | 156.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 515 | S | 27.8 | Very low | 27.1 | Very low | 107 Ų | 107 | 125.6 Ų | 125.6 | 75% | 0.748 | 74% | 0.738 | S | S | * | * | cis | -164.2 | 165.2 | -10 | -167.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 516 | S | 29.1 | Very low | 27.1 | Very low | 95 Ų | 95 | 124.6 Ų | 124.6 | 66% | 0.664 | 74% | 0.743 | S | S | * | * | trans | 15.2 | 142.9 | 143.6 | 66.1 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 517 | R | 29 | Very low | 27 | Very low | 214 Ų | 214 | 122.4 Ų | 122.4 | 81% | 0.808 | 75% | 0.748 | S | S | * | * | cis | -177.2 | 174 | 11.5 | -128.3 | -179.3 | -173.6 | 168.3 | -0.3 | 109.5 | ||||
| 518 | D | 25.9 | Very low | 26.9 | Very low | 132 Ų | 132 | 122.4 Ų | 122.4 | 71% | 0.706 | 75% | 0.751 | S | S | * | * | trans | 65.9 | 158.9 | 153.5 | -65.5 | -42.3 | 0 | 0 | 0 | 119 | ||||
| 519 | S | 28 | Very low | 27.8 | Very low | 92 Ų | 92 | 122.6 Ų | 122.6 | 64% | 0.643 | 75% | 0.75 | S | S | * | * | cis | -175.3 | 170.3 | -34.5 | -93 | 0 | 0 | 0 | 0 | 108 | ||||
| 520 | I | 24.2 | Very low | 26.9 | Very low | 154 Ų | 154 | 125.1 Ų | 125.1 | 79% | 0.79 | 76% | 0.757 | S | S | * | * | trans | 75.6 | 115.4 | 170.8 | -48.5 | 174.4 | 0 | 0 | 0 | 113.6 | ||||
| 521 | S | 24.8 | Very low | 26.7 | Very low | 103 Ų | 103 | 125.9 Ų | 125.9 | 72% | 0.72 | 76% | 0.762 | S | S | * | * | 69.2 | 147 | 75.9 | 133.4 | 0 | 0 | 0 | 0 | 114 | |||||
| 522 | S | 27.8 | Very low | 26.5 | Very low | 87 Ų | 87 | 122.9 Ų | 122.9 | 61% | 0.608 | 75% | 0.754 | S | S | * | * | cis | -158.9 | 163.3 | 10.7 | -117.9 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 523 | D | 24.6 | Very low | 26.4 | Very low | 132 Ų | 132 | 131 Ų | 131 | 71% | 0.706 | 76% | 0.763 | S | S | * | * | trans | 43.8 | 120.1 | 143.2 | -54.3 | -56 | 0 | 0 | 0 | 121.3 | ||||
| 524 | S | 29.1 | Very low | 26.2 | Very low | 110 Ų | 110 | 129.2 Ų | 129.2 | 77% | 0.769 | 76% | 0.755 | S | S | * | * | 81.2 | 142 | 68.9 | -58.6 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 525 | E | 27.8 | Very low | 26.3 | Very low | 171 Ų | 171 | 134.5 Ų | 134.5 | 80% | 0.799 | 76% | 0.758 | S | S | * | * | cis | -146.8 | -176.5 | 13.8 | -63.9 | -176 | 73.3 | 0 | 0 | 113.2 | ||||
| 526 | T | 24.8 | Very low | 26.2 | Very low | 134 Ų | 134 | 132.9 Ų | 132.9 | 82% | 0.822 | 76% | 0.759 | S | S | * | * | trans | 73.5 | 153.6 | 161 | 66.3 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 527 | S | 23.5 | Very low | 26.1 | Very low | 117 Ų | 117 | 137.2 Ų | 137.2 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | cis | -152.5 | 179.9 | 4.9 | 28.9 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 528 | E | 22.4 | Very low | 26 | Very low | 184 Ų | 184 | 133.7 Ų | 133.7 | 86% | 0.86 | 77% | 0.771 | S | S | * | * | trans | -71.8 | -174.1 | -178.2 | -67 | -166.7 | 128 | 0 | 0 | 117.4 | ||||
| 529 | P | 42.2 | Very low | 25.9 | Very low | 102 Ų | 102 | 131 Ų | 131 | 66% | 0.662 | 77% | 0.774 | S | S | * | * | cis | -138.5 | -171.6 | -43.7 | 35.4 | -15.8 | 0 | 0 | 0 | 115.9 | ||||
| 530 | L | 23.7 | Very low | 25.8 | Very low | 163 Ų | 163 | 133.2 Ų | 133.2 | 85% | 0.853 | 78% | 0.784 | S | S | * | * | trans | 88.2 | 114.8 | 156.2 | -63.2 | 171.9 | 0 | 0 | 0 | 122.5 | ||||
| 531 | S | 22.5 | Very low | 25.9 | Very low | 107 Ų | 107 | 134.2 Ų | 134.2 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | trans | 33.8 | 137.1 | 133.5 | -152.7 | 0 | 0 | 0 | 0 | 121 | ||||
| 532 | C | 23.1 | Very low | 25.8 | Very low | 107 Ų | 107 | 134.2 Ų | 134.2 | 72% | 0.723 | 79% | 0.785 | S | S | * | * | cis | -163 | 162.3 | 48.4 | -51.3 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 533 | R | 22.7 | Very low | 25.6 | Very low | 241 Ų | 241 | 136.8 Ų | 136.8 | 91% | 0.909 | 80% | 0.797 | S | S | * | * | trans | 48 | 117.9 | 156.8 | -80.2 | -178.2 | 165.1 | 166.1 | -5.7 | 119.1 | ||||
| 534 | A | 22.8 | Very low | 25.7 | Very low | 81 Ų | 81 | 137.2 Ų | 137.2 | 67% | 0.669 | 79% | 0.794 | S | S | * | * | 71.4 | 132 | 75.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 535 | Q | 27.1 | Very low | 25.5 | Very low | 191 Ų | 191 | 136.5 Ų | 136.5 | 89% | 0.893 | 79% | 0.79 | S | S | * | * | cis | -157.6 | 145.4 | 10.2 | -119.1 | 159.4 | -42.8 | 0 | 0 | 112.6 | ||||
| 536 | G | 25.9 | Very low | 25.4 | Very low | 74 Ų | 74 | 138.4 Ų | 138.4 | 76% | 0.763 | 79% | 0.791 | S | S | * | * | trans | 88.9 | 153.8 | 134.1 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 537 | Q | 27.3 | Very low | 25.4 | Very low | 185 Ų | 185 | 136.5 Ų | 136.5 | 86% | 0.864 | 79% | 0.789 | S | S | * | * | cis | -162.9 | -174 | -15.9 | -140.6 | -175 | 5.8 | 0 | 0 | 111.2 | ||||
| 538 | T | 26 | Very low | 25.6 | Very low | 141 Ų | 141 | 139.9 Ų | 139.9 | 87% | 0.865 | 79% | 0.789 | S | S | * | * | trans | 77.4 | 131.6 | -178.5 | 74.3 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 539 | G | 24.5 | Very low | 25.6 | Very low | 74 Ų | 74 | 134.7 Ų | 134.7 | 76% | 0.763 | 78% | 0.784 | S | S | * | * | cis | 157.5 | 88.5 | -14.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 540 | V | 26.1 | Very low | 24.9 | Very low | 140 Ų | 140 | 136.4 Ų | 136.4 | 85% | 0.848 | 79% | 0.788 | S | S | * | * | trans | -134.5 | 148.4 | 169.9 | 179.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 541 | L | 24.7 | Very low | 24.9 | Very low | 175 Ų | 175 | 132.2 Ų | 132.2 | 92% | 0.916 | 78% | 0.784 | S | S | * | * | trans | -64.4 | 145.3 | -166.9 | -59.7 | 162.4 | 0 | 0 | 0 | 114.5 | ||||
| 542 | T | 24.3 | Very low | 25 | Very low | 103 Ų | 103 | 138.7 Ų | 138.7 | 63% | 0.632 | 79% | 0.792 | S | S | * | * | trans | -119.8 | 138.1 | 178.4 | -47.9 | 0 | 0 | 0 | 0 | 111.8 | H544 | T542-H544 WeakPolarHBondContact CG2-NE2 3.5Š| ||
| 543 | V | 23.4 | Very low | 25.1 | Very low | 140 Ų | 140 | 139 Ų | 139 | 85% | 0.848 | 79% | 0.79 | S | S | * | * | trans | -98 | 136 | 170.1 | 177.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 544 | H | 25.8 | Very low | 25.2 | Very low | 141 Ų | 141 | 133.1 Ų | 133.1 | 65% | 0.653 | 78% | 0.781 | S | S | * | * | trans | -121.2 | 98.4 | -178.9 | -75.8 | -60.2 | 0 | 0 | 0 | 113.6 | T542 Y546 | T542-H544 WeakPolarHBondContact CG2-NE2 3.5Å; H544-Y546 AromaticContact ND1-CE2 3.83Å | ||
| 545 | S | 25.2 | Very low | 25.3 | Very low | 96 Ų | 96 | 136.3 Ų | 136.3 | 67% | 0.671 | 79% | 0.792 | S | S | * | * | trans | -82.6 | 171.2 | 138.1 | 60.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 546 | Y | 26.4 | Very low | 25.2 | Very low | 210 Ų | 210 | 131 Ų | 131 | 82% | 0.824 | 79% | 0.788 | S | S | * | * | trans | -169.9 | 160.5 | 140.5 | -88.7 | -49.3 | 0 | 0 | 0 | 111 | H544 | H544-Y546 AromaticContact ND1-CE2 3.83Š| ||
| 547 | A | 23.9 | Very low | 25 | Very low | 94 Ų | 94 | 136.2 Ų | 136.2 | 78% | 0.777 | 79% | 0.793 | S | S | * | * | trans | -146.9 | 146.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 548 | K | 27 | Very low | 25.3 | Very low | 189 Ų | 189 | 131.9 Ų | 131.9 | 82% | 0.822 | 78% | 0.781 | S | S | * | * | trans | 63.1 | 145.8 | 161.8 | -107.4 | -158.5 | 177.4 | -137.9 | 0 | 121 | D550 | K548-D550 IonicContact NZ-OD2 2.67Å; K548-D550 PolarHBondContact NZ-OD2 2.78Å | ||
| 549 | G | 24 | Very low | 25.1 | Very low | 74 Ų | 74 | 130 Ų | 130 | 76% | 0.763 | 77% | 0.773 | S | S | * | * | trans | -167.5 | 130.8 | 157.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 550 | D | 26.5 | Very low | 25.1 | Very low | 138 Ų | 138 | 132.6 Ų | 132.6 | 74% | 0.738 | 77% | 0.766 | S | S | * | * | trans | -120.8 | 144.4 | 177.6 | -79.3 | -75.3 | 0 | 0 | 0 | 109.3 | K548 | K548-D550 IonicContact NZ-OD2 2.67Å; K548-D550 PolarHBondContact NZ-OD2 2.78Å | ||
| 551 | G | 24.1 | Very low | 25.1 | Very low | 75 Ų | 75 | 136.3 Ų | 136.3 | 77% | 0.773 | 77% | 0.765 | S | S | * | * | trans | -160.8 | 151.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 552 | R | 24.4 | Very low | 25.3 | Very low | 243 Ų | 243 | 137.1 Ų | 137.1 | 92% | 0.917 | 76% | 0.761 | S | S | * | * | trans | -160.5 | 162.1 | -163.4 | -76 | -166.1 | 177.3 | -162.1 | -2.8 | 109.3 | ||||
| 553 | V | 26.1 | Very low | 25.5 | Very low | 114 Ų | 114 | 142.3 Ų | 142.3 | 69% | 0.691 | 78% | 0.775 | S | S | * | * | cis | -173.1 | 144 | -5 | 131.6 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 554 | T | 23.6 | Very low | 25.5 | Very low | 117 Ų | 117 | 139.2 Ų | 139.2 | 72% | 0.718 | 77% | 0.771 | S | S | * | * | cis | -162.7 | -165 | -18.1 | 36.7 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 555 | V | 25.2 | Very low | 25.7 | Very low | 149 Ų | 149 | 138.3 Ų | 138.3 | 90% | 0.903 | 78% | 0.781 | S | S | * | * | trans | 89 | 128.1 | 167 | -169 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 556 | G | 24.1 | Very low | 25.9 | Very low | 78 Ų | 78 | 138.6 Ų | 138.6 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | 155.7 | 86.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 557 | E | 22.3 | Very low | 25.9 | Very low | 185 Ų | 185 | 133.6 Ų | 133.6 | 86% | 0.864 | 79% | 0.791 | S | S | * | * | trans | -106.4 | 174.8 | 169.3 | -116.9 | -156.2 | 149 | 0 | 0 | 109.8 | ||||
| 558 | P | 34.3 | Very low | 26.3 | Very low | 94 Ų | 94 | 141.4 Ų | 141.4 | 61% | 0.61 | 80% | 0.8 | S | S | * | * | cis | -140.8 | -175.4 | 3 | 40.8 | -21.6 | 0 | 0 | 0 | 117 | ||||
| 559 | C | 21.2 | Very low | 26.5 | Very low | 102 Ų | 102 | 138 Ų | 138 | 69% | 0.689 | 80% | 0.801 | S | S | * | * | trans | 71 | 142.6 | 145.5 | -79.1 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 560 | M | 24.5 | Very low | 27.2 | Very low | 128 Ų | 128 | 141.6 Ų | 141.6 | 63% | 0.631 | 80% | 0.801 | S | S | * | * | cis | -167 | 145.3 | 11.6 | -98.1 | -94.2 | 100.9 | 0 | 0 | 114.4 | ||||
| 561 | R | 26.8 | Very low | 27.9 | Very low | 217 Ų | 217 | 138.5 Ų | 138.5 | 82% | 0.819 | 79% | 0.79 | S | S | * | * | trans | 65.3 | 151.7 | 148.4 | -63.3 | 168.5 | -175.2 | -177.1 | 4.5 | 118.9 | ||||
| 562 | K | 27.7 | Very low | 28.7 | Very low | 193 Ų | 193 | 143.5 Ų | 143.5 | 84% | 0.839 | 79% | 0.793 | S | S | * | * | cis | -129.6 | 137.8 | 9.7 | -65 | 172.2 | -177.7 | 169.1 | 0 | 109.9 | ||||
| 563 | K | 28.1 | Very low | 29.5 | Very low | 212 Ų | 212 | 141.9 Ų | 141.9 | 92% | 0.922 | 79% | 0.787 | S | S | * | * | 42.8 | 132.2 | 96.1 | -77.5 | -168 | 172.6 | -171 | 0 | 115.7 | |||||
| 564 | G | 24.8 | Very low | 30.4 | Very low | 75 Ų | 75 | 142 Ų | 142 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | cis | 177 | -162.1 | 2.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 565 | S | 30.5 | Very low | 31.3 | Very low | 122 Ų | 122 | 143.2 Ų | 143.2 | 85% | 0.853 | 78% | 0.781 | S | S | * | * | cis | 176.1 | 128.6 | -12.5 | 159.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 566 | A | 27.5 | Very low | 32.1 | Very low | 101 Ų | 101 | 138.9 Ų | 138.9 | 84% | 0.835 | 76% | 0.762 | S | S | * | * | trans | -175.8 | 111.5 | 149.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 567 | A | 28.2 | Very low | 32.8 | Very low | 106 Ų | 106 | 142.1 Ų | 142.1 | 88% | 0.876 | 76% | 0.756 | S | S | * | * | trans | -151.9 | 148.7 | 154.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 568 | R | 31.4 | Very low | 33.9 | Very low | 257 Ų | 257 | 138.1 Ų | 138.1 | 97% | 0.97 | 74% | 0.743 | S | S | * | * | trans | -88 | 144.1 | -176.3 | -86.8 | 178.1 | 157.6 | 143.4 | -7.6 | 112.2 | ||||
| 569 | S | 31.5 | Very low | 34.2 | Very low | 118 Ų | 118 | 136.2 Ų | 136.2 | 83% | 0.825 | 74% | 0.736 | S | S | * | * | trans | -92.6 | 149.1 | 175.8 | 52.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 570 | I | 37.5 | Very low | 34.9 | Very low | 149 Ų | 149 | 137.2 Ų | 137.2 | 76% | 0.764 | 74% | 0.735 | S | S | * | * | trans | -110.6 | 154 | 163.5 | -64.9 | 177.9 | 0 | 0 | 0 | 107.7 | E574 | I570-E574 WeakPolarHBondContact CG2-OE2 3.47Š| ||
| 571 | S | 43.1 | Very low | 35.6 | Very low | 73 Ų | 73 | 138.6 Ų | 138.6 | 51% | 0.51 | 74% | 0.739 | S | S | . | * | trans | -101.8 | 146.3 | -165.7 | 71.4 | 0 | 0 | 0 | 0 | 114.9 | R573 E574 | S571-R573 PolarHBondContact O-N 3.5Å; S571-E574 PolarHBondContact O-N 2.96Å | ||
| 572 | E | 40.9 | Very low | 36.2 | Very low | 180 Ų | 180 | 135.9 Ų | 135.9 | 84% | 0.841 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.7 | 3.5 | -172.9 | -61.9 | 174.9 | 123.4 | 0 | 0 | 116.2 | ||
| 573 | R | 40.3 | Very low | 36.6 | Very low | 210 Ų | 210 | 133.1 Ų | 133.1 | 79% | 0.792 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.9 | -35.3 | 174.2 | -75.4 | -175.2 | 172.9 | 169.7 | -2.1 | 113.5 | S571 L575 A576 | S571-R573 PolarHBondContact O-N 3.5Å; R573-L575 PolarHBondContact O-N 3.3Å; R573-A576 PolarHBondContact O-N 2.78Å; R573-A576 VanDerWaalsContact O-N 3.11Å |
| 574 | E | 44 | Very low | 36.8 | Very low | 115 Ų | 115 | 131.4 Ų | 131.4 | 54% | 0.537 | 72% | 0.715 | S | S | . | * | H | α-helix | trans | -69.7 | -17.5 | 179.1 | -65.3 | 172.3 | 136.2 | 0 | 0 | 112.3 | I570 S571 V578 | I570-E574 WeakPolarHBondContact CG2-OE2 3.47Å; S571-E574 PolarHBondContact O-N 2.96Å; E574-V578 WeakPolarHBondContact O-CG2 3.29Å |
| 575 | L | 42.8 | Very low | 37.4 | Very low | 143 Ų | 143 | 131.4 Ų | 131.4 | 75% | 0.749 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -81.8 | -12.5 | 173.9 | -79.5 | 165.1 | 0 | 0 | 0 | 114 | R573 | R573-L575 PolarHBondContact O-N 3.3Å |
| 576 | A | 41.6 | Very low | 37.7 | Very low | 59 Ų | 59 | 130.6 Ų | 130.6 | 49% | 0.488 | 69% | 0.688 | S | S | . | * | H | α-helix | trans | -86.6 | -46.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | R573 V578 A579 | R573-A576 PolarHBondContact O-N 2.78Å; R573-A576 VanDerWaalsContact O-N 3.11Å; A576-V578 VanDerWaalsContact C-N 3.3Å; A576-V578 PolarHBondContact O-N 2.94Å; A576-A579 WeakPolarHBondContact O-CB 3.4Å; A576-A579 PolarHBondContact O-N 3.17Å |
| 577 | E | 39.2 | Very low | 37.9 | Very low | 145 Ų | 145 | 133.6 Ų | 133.6 | 68% | 0.678 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -65.1 | -33.1 | -174.3 | -64.2 | 176.5 | 158.8 | 0 | 0 | 112.4 | A579 D580 | E577-A579 PolarHBondContact O-N 3.21Å; E577-D580 PolarHBondContact O-N 2.91Å |
| 578 | V | 46.5 | Very low | 38.1 | Very low | 101 Ų | 101 | 136.3 Ų | 136.3 | 61% | 0.612 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -69 | -19.7 | 176 | -179.9 | 0 | 0 | 0 | 0 | 112.9 | E574 A576 | E574-V578 WeakPolarHBondContact O-CG2 3.29Å; A576-V578 VanDerWaalsContact C-N 3.3Å; A576-V578 PolarHBondContact O-N 2.94Å |
| 579 | A | 40.2 | Very low | 38.1 | Very low | 55 Ų | 55 | 131.8 Ų | 131.8 | 46% | 0.455 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -77.2 | -37.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | A576 E577 | A576-A579 WeakPolarHBondContact O-CB 3.4Å; A576-A579 PolarHBondContact O-N 3.17Å; E577-A579 PolarHBondContact O-N 3.21Å |
| 580 | D | 36.1 | Very low | 38.1 | Very low | 123 Ų | 123 | 134.9 Ų | 134.9 | 66% | 0.658 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -76.6 | -36 | -177.7 | -77.4 | -22.2 | 0 | 0 | 0 | 112.5 | E577 Y582 M583 F584 | E577-D580 PolarHBondContact O-N 2.91Å; D580-Y582 VanDerWaalsContact C-N 3.29Å; D580-Y582 PolarHBondContact O-N 2.83Å; D580-M583 PolarHBondContact O-N 3.23Å; D580-F584 PolarHBondContact O-N 3.35Å |
| 581 | E | 38.3 | Very low | 37.7 | Very low | 156 Ų | 156 | 137.1 Ų | 137.1 | 73% | 0.729 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -61.4 | -37 | 173.7 | -73.4 | -160.9 | 135.6 | 0 | 0 | 112.4 | M583 F584 | E581-M583 VanDerWaalsContact C-N 3.35Å; E581-M583 PolarHBondContact O-N 3.45Å; E581-F584 PolarHBondContact O-N 2.84Å |
| 582 | Y | 39.2 | Very low | 37 | Very low | 160 Ų | 160 | 139.4 Ų | 139.4 | 63% | 0.627 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -64 | -40.2 | 178.4 | -174.9 | -105.8 | 0 | 0 | 0 | 112 | D580 F584 S585 L586 | D580-Y582 VanDerWaalsContact C-N 3.29Å; D580-Y582 PolarHBondContact O-N 2.83Å; Y582-F584 PolarHBondContact O-N 3.11Å; Y582-S585 PolarHBondContact O-OG 2.79Å; Y582-S585 VanDerWaalsContact O-OG 3.11Å; Y582-L586 HydrophobicContact CE1-CD1 4.14Å |
| 583 | M | 36.9 | Very low | 36.7 | Very low | 136 Ų | 136 | 141.6 Ų | 141.6 | 67% | 0.67 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -63.5 | -37.8 | 177.9 | -73.2 | -72 | -71.7 | 0 | 0 | 112.7 | D580 E581 | D580-M583 PolarHBondContact O-N 3.23Å; E581-M583 VanDerWaalsContact C-N 3.35Å; E581-M583 PolarHBondContact O-N 3.45Å |
| 584 | F | 33.2 | Very low | 35.9 | Very low | 176 Ų | 176 | 135.1 Ų | 135.1 | 77% | 0.772 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -71.3 | -32.5 | -174.9 | -141.6 | -90.3 | 0 | 0 | 0 | 113.4 | D580 E581 Y582 L586 | D580-F584 PolarHBondContact O-N 3.35Å; E581-F584 PolarHBondContact O-N 2.84Å; Y582-F584 PolarHBondContact O-N 3.11Å; F584-L586 VanDerWaalsContact C-N 3.28Å; F584-L586 PolarHBondContact O-N 3.35Å |
| 585 | S | 37.2 | Very low | 35.1 | Very low | 75 Ų | 75 | 139.7 Ų | 139.7 | 52% | 0.524 | 71% | 0.712 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.9 | -18.4 | -176.6 | 73.3 | 0 | 0 | 0 | 0 | 115.2 | Y582 | Y582-S585 PolarHBondContact O-OG 2.79Å; Y582-S585 VanDerWaalsContact O-OG 3.11Å |
| 586 | L | 35.9 | Very low | 34.3 | Very low | 104 Ų | 104 | 142.9 Ų | 142.9 | 55% | 0.545 | 71% | 0.714 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86.2 | -9.7 | -171.8 | -72.6 | 170.2 | 0 | 0 | 0 | 114.5 | Y582 F584 | Y582-L586 HydrophobicContact CE1-CD1 4.14Å; F584-L586 VanDerWaalsContact C-N 3.28Å; F584-L586 PolarHBondContact O-N 3.35Å |
| 587 | E | 32.3 | Very low | 33.5 | Very low | 164 Ų | 164 | 148.8 Ų | 148.8 | 77% | 0.766 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -91.3 | -29.5 | -176.6 | -62.8 | -143 | 124.6 | 0 | 0 | 114.6 | ||
| 588 | E | 32.3 | Very low | 33.3 | Very low | 163 Ų | 163 | 146.9 Ų | 146.9 | 76% | 0.762 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.4 | -37.8 | -169.3 | -72.7 | -152.6 | 116.1 | 0 | 0 | 114.7 | K590 | E588-K590 PolarHBondContact O-N 3.08Š|
| 589 | N | 31.2 | Very low | 32.4 | Very low | 162 Ų | 162 | 149.7 Ų | 149.7 | 87% | 0.866 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | 18.1 | -168.7 | -93 | -66 | 0 | 0 | 0 | 116 | ||
| 590 | K | 32.3 | Very low | 31.7 | Very low | 184 Ų | 184 | 152.8 Ų | 152.8 | 80% | 0.8 | 76% | 0.76 | S | S | * | * | trans | -100.3 | 33.7 | 177.4 | -76.8 | 179.9 | -179.8 | 163.6 | 0 | 114.7 | E588 | E588-K590 PolarHBondContact O-N 3.08Š| ||
| 591 | K | 27.3 | Very low | 31.3 | Very low | 195 Ų | 195 | 155.5 Ų | 155.5 | 85% | 0.848 | 77% | 0.766 | S | S | * | * | trans | -141.4 | 75.1 | -176.9 | -93.6 | 157.7 | -176 | 164 | 0 | 116.1 | ||||
| 592 | S | 28.7 | Very low | 30.7 | Very low | 122 Ų | 122 | 154.7 Ų | 154.7 | 85% | 0.853 | 77% | 0.766 | S | S | * | * | trans | -167.3 | 138 | 142.9 | 46.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 593 | K | 35.3 | Very low | 30.2 | Very low | 226 Ų | 226 | 152.9 Ų | 152.9 | 98% | 0.983 | 77% | 0.774 | S | S | * | * | trans | -151.4 | 131.7 | 174.3 | -92.3 | -172.4 | 176.8 | 177.2 | 0 | 111 | ||||
| 594 | G | 24.6 | Very low | 30.2 | Very low | 74 Ų | 74 | 156.8 Ų | 156.8 | 76% | 0.763 | 78% | 0.781 | S | S | * | * | trans | 157.7 | 154.7 | 165.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 595 | R | 26.1 | Very low | 30.2 | Very low | 211 Ų | 211 | 157.5 Ų | 157.5 | 80% | 0.796 | 79% | 0.786 | S | S | * | * | cis | -164.4 | 142.6 | -16 | -156.5 | -164.7 | 178.6 | 178.4 | 2.7 | 110.1 | ||||
| 596 | R | 26.6 | Very low | 29.9 | Very low | 210 Ų | 210 | 161.2 Ų | 161.2 | 79% | 0.792 | 80% | 0.795 | S | S | * | * | trans | 86.8 | 163.2 | 164.6 | -57.2 | -169.4 | 163 | 157.3 | -7.1 | 119 | ||||
| 597 | Q | 25.2 | Very low | 29.5 | Very low | 183 Ų | 183 | 161.8 Ų | 161.8 | 86% | 0.855 | 81% | 0.805 | S | S | * | * | trans | -130.6 | 174.5 | -168.2 | -94.1 | -177.6 | -7.2 | 0 | 0 | 107.1 | ||||
| 598 | P | 34.8 | Very low | 29.4 | Very low | 105 Ų | 105 | 161 Ų | 161 | 68% | 0.682 | 81% | 0.805 | S | S | * | * | cis | -151.6 | 165.6 | 34.6 | 42.2 | -20.4 | 0 | 0 | 0 | 121.5 | ||||
| 599 | L | 26.8 | Very low | 29.2 | Very low | 160 Ų | 160 | 159.1 Ų | 159.1 | 84% | 0.838 | 81% | 0.805 | S | S | * | * | trans | 63 | 114.2 | 144.7 | -73.3 | 165.4 | 0 | 0 | 0 | 122.8 | ||||
| 600 | S | 25.4 | Very low | 29.1 | Very low | 119 Ų | 119 | 158.9 Ų | 158.9 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | -159.2 | -161.9 | 116.5 | 71.4 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 601 | K | 28.3 | Very low | 28.9 | Very low | 181 Ų | 181 | 159.1 Ų | 159.1 | 79% | 0.787 | 81% | 0.807 | S | S | * | * | trans | -135.5 | 156.5 | -158.6 | -71.2 | 174.3 | -174.6 | 172.8 | 0 | 109.9 | ||||
| 602 | L | 26.2 | Very low | 28.7 | Very low | 139 Ų | 139 | 158.3 Ų | 158.3 | 73% | 0.728 | 81% | 0.806 | S | S | * | * | cis | -151.8 | -155.7 | 2.3 | -114 | 163.8 | 0 | 0 | 0 | 105.4 | ||||
| 603 | P | 28.8 | Very low | 28.6 | Very low | 121 Ų | 121 | 158.1 Ų | 158.1 | 79% | 0.786 | 80% | 0.803 | S | S | * | * | cis | -123.5 | -166.1 | -1.4 | 38.2 | -17.3 | 0 | 0 | 0 | 114.6 | ||||
| 604 | R | 36.8 | Very low | 28.1 | Very low | 219 Ų | 219 | 153.8 Ų | 153.8 | 83% | 0.826 | 80% | 0.795 | S | S | * | * | trans | -100.9 | 164.9 | -175.1 | -68.9 | 175.3 | 171.8 | 162.2 | -4.6 | 113.1 | ||||
| 605 | H | 32.8 | Very low | 28.2 | Very low | 190 Ų | 190 | 155.2 Ų | 155.2 | 88% | 0.88 | 79% | 0.794 | S | S | * | * | trans | 82.4 | 78.5 | 178.3 | -59.4 | -84 | 0 | 0 | 0 | 116.9 | ||||
| 606 | H | 29.9 | Very low | 28.4 | Very low | 153 Ų | 153 | 152.9 Ų | 152.9 | 71% | 0.708 | 80% | 0.797 | S | S | * | * | trans | -121.1 | 126.7 | 148.8 | -166 | -94.5 | 0 | 0 | 0 | 109.2 | L608 | H606-L608 PolarHBondContact O-N 2.93Å; H606-L608 VanDerWaalsContact O-N 3.12Å | ||
| 607 | P | 28.8 | Very low | 28.5 | Very low | 117 Ų | 117 | 150.2 Ų | 150.2 | 76% | 0.76 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -91.8 | 50.6 | -162.7 | 37.8 | -38.4 | 0 | 0 | 0 | 114.1 | ||
| 608 | L | 29.6 | Very low | 29 | Very low | 146 Ų | 146 | 149.3 Ų | 149.3 | 76% | 0.764 | 79% | 0.794 | S | S | * | * | trans | -135.7 | 72.4 | 174 | -73.3 | 178.9 | 0 | 0 | 0 | 111.2 | H606 | H606-L608 PolarHBondContact O-N 2.93Å; H606-L608 VanDerWaalsContact O-N 3.12Å | ||
| 609 | V | 27.1 | Very low | 28.6 | Very low | 124 Ų | 124 | 150.1 Ų | 150.1 | 75% | 0.752 | 80% | 0.798 | S | S | * | * | trans | -140.8 | 129.7 | 169.7 | 174.4 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 610 | L | 29.1 | Very low | 29.1 | Very low | 157 Ų | 157 | 148.3 Ų | 148.3 | 82% | 0.822 | 80% | 0.798 | S | S | * | * | trans | 65.2 | 98.3 | 173.6 | -66.9 | 163.6 | 0 | 0 | 0 | 117.9 | ||||
| 611 | Q | 28.2 | Very low | 29.5 | Very low | 189 Ų | 189 | 151.3 Ų | 151.3 | 88% | 0.883 | 80% | 0.799 | S | S | * | * | -107.2 | 122.3 | 122.8 | 168.9 | 179.3 | -15.9 | 0 | 0 | 107 | |||||
| 612 | E | 24.6 | Very low | 29.6 | Very low | 178 Ų | 178 | 152 Ų | 152 | 83% | 0.832 | 81% | 0.805 | S | S | * | * | trans | -163.3 | 174.6 | 152.7 | -125.4 | 168 | -144.2 | 0 | 0 | 111.1 | ||||
| 613 | C | 26 | Very low | 29.7 | Very low | 118 Ų | 118 | 151.2 Ų | 151.2 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | trans | -98.4 | 145.9 | -154.1 | -56.8 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 614 | V | 24 | Very low | 29.9 | Very low | 135 Ų | 135 | 149.5 Ų | 149.5 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | -144.3 | 110.2 | 157.2 | -155.9 | 0 | 0 | 0 | 0 | 103.8 | ||||
| 615 | S | 26.8 | Very low | 29.9 | Very low | 105 Ų | 105 | 144.3 Ų | 144.3 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | 54.1 | 124.4 | 81 | -158.4 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 616 | D | 30.4 | Very low | 30 | Very low | 162 Ų | 162 | 143 Ų | 143 | 87% | 0.866 | 78% | 0.777 | S | S | * | * | trans | -69.4 | 146.1 | 163.3 | -73.7 | -57.3 | 0 | 0 | 0 | 109.7 | ||||
| 617 | D | 28.1 | Very low | 30.6 | Very low | 153 Ų | 153 | 141.5 Ų | 141.5 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | trans | -153 | 128.7 | 155.7 | -149.5 | -7.2 | 0 | 0 | 0 | 107.7 | ||||
| 618 | E | 37.1 | Very low | 31.1 | Very low | 165 Ų | 165 | 143.4 Ų | 143.4 | 77% | 0.771 | 77% | 0.769 | S | S | * | * | trans | -96.6 | 118.8 | -176.8 | -85.2 | -118.7 | 125.6 | 0 | 0 | 110.9 | ||||
| 619 | T | 25.2 | Very low | 31.6 | Very low | 122 Ų | 122 | 140.3 Ų | 140.3 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | trans | -127.6 | 117.6 | 165 | 46.6 | 0 | 0 | 0 | 0 | 110.5 | E621 | T619-E621 PolarHBondContact O-N 3.46Š| ||
| 620 | S | 37.7 | Very low | 32.5 | Very low | 122 Ų | 122 | 139.4 Ų | 139.4 | 85% | 0.853 | 75% | 0.753 | S | S | * | * | trans | -76.9 | 110.3 | 174 | -73.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 621 | E | 33.8 | Very low | 33.7 | Very low | 182 Ų | 182 | 136.1 Ų | 136.1 | 85% | 0.85 | 73% | 0.733 | S | S | * | * | trans | -107 | 129.1 | 164.8 | -70.2 | -164.1 | 146.9 | 0 | 0 | 110.7 | T619 | T619-E621 PolarHBondContact O-N 3.46Š| ||
| 622 | Q | 30.7 | Very low | 34.8 | Very low | 194 Ų | 194 | 132.4 Ų | 132.4 | 91% | 0.907 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -87.4 | 129.7 | -171.1 | -161.2 | 167.5 | 3.4 | 0 | 0 | 109.9 | ||
| 623 | L | 28 | Very low | 36.8 | Very low | 123 Ų | 123 | 127.2 Ų | 127.2 | 64% | 0.644 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 135.8 | -175.9 | -63.7 | 176.3 | 0 | 0 | 0 | 111.7 | K837 | L623-K837 VanDerWaalsContact CD2-NZ 3.27Š|
| 624 | T | 32.4 | Very low | 39 | Very low | 85 Ų | 85 | 125.9 Ų | 125.9 | 52% | 0.521 | 70% | 0.697 | S | S | . | * | P | Polyproline II helix | trans | -79.2 | 156.5 | 170.8 | 57.7 | 0 | 0 | 0 | 0 | 111.1 | E626 | T624-E626 PolarHBondContact O-N 2.86Š|
| 625 | P | 36.7 | Very low | 41.7 | Very low | 111 Ų | 111 | 122.2 Ų | 122.2 | 72% | 0.721 | 67% | 0.668 | S | S | * | * | G | 310 helix | trans | -66.2 | -2.8 | -178.2 | -21.8 | 34.6 | 0 | 0 | 0 | 115.6 | ||
| 626 | E | 36.7 | Very low | 44.1 | Very low | 161 Ų | 161 | 117.6 Ų | 117.6 | 75% | 0.752 | 64% | 0.636 | S | S | * | * | G | 310 helix | trans | -85.7 | -10.8 | -168.6 | -62.5 | 173.6 | 136.6 | 0 | 0 | 113.3 | T624 E628 | T624-E626 PolarHBondContact O-N 2.86Å; E626-E628 VanDerWaalsContact C-N 3.29Å; E626-E628 PolarHBondContact O-N 2.88Å |
| 627 | E | 41.3 | Very low | 46.4 | Very low | 122 Ų | 122 | 116.4 Ų | 116.4 | 57% | 0.57 | 62% | 0.623 | S | S | * | * | G | 310 helix | trans | -78.9 | -3.7 | 173.1 | -68.4 | -166.5 | 157.3 | 0 | 0 | 113.9 | A629 K837 | E627-A629 VanDerWaalsContact C-N 3.3Å; E627-A629 PolarHBondContact O-N 2.9Å; E627-K837 VanDerWaalsContact OE1-CE 3.26Å; E627-K837 WeakPolarHBondContact OE1-CE 3.48Å; E627-K837 IonicContact OE1-NZ 2.67Å; E627-K837 PolarHBondContact OE1-NZ 3.21Å; E627-K837 IonicContact OE2-NZ 3.69Å; E627-K837 PolarHBondContact OE2-NZ 3.06Å |
| 628 | E | 39.9 | Very low | 48.8 | Very low | 157 Ų | 157 | 113.9 Ų | 113.9 | 73% | 0.734 | 62% | 0.615 | S | S | * | * | G | 310 helix | trans | -78 | -7 | -179.5 | -61.3 | -160.1 | 122.9 | 0 | 0 | 114.5 | E626 | E626-E628 VanDerWaalsContact C-N 3.29Å; E626-E628 PolarHBondContact O-N 2.88Å |
| 629 | A | 39.1 | Very low | 51 | Low | 82 Ų | 82 | 106.6 Ų | 106.6 | 68% | 0.678 | 58% | 0.582 | S | S | * | * | G | 310 helix | trans | -96.1 | 9.7 | -162 | 0 | 0 | 0 | 0 | 0 | 117.8 | E627 | E627-A629 VanDerWaalsContact C-N 3.3Å; E627-A629 PolarHBondContact O-N 2.9Å |
| 630 | E | 47 | Very low | 53.7 | Low | 105 Ų | 105 | 101.9 Ų | 101.9 | 49% | 0.491 | 55% | 0.553 | S | S | . | * | trans | -115.7 | 41.7 | 178.7 | -81.9 | -154 | 146.8 | 0 | 0 | 115.3 | T632 K834 | E630-T632 PolarHBondContact O-N 2.7Å; E630-T632 VanDerWaalsContact O-N 3.07Å; E630-K834 IonicContact OE1-NZ 3.96Å; E630-K834 PolarHBondContact OE1-NZ 3.14Å; E630-K834 WeakPolarHBondContact OE2-CE 3.49Å; E630-K834 IonicContact OE2-NZ 3.06Å; E630-K834 PolarHBondContact OE2-NZ 3.33Å | ||
| 631 | E | 53.4 | Low | 55.9 | Low | 87 Ų | 87 | 100.2 Ų | 100.2 | 41% | 0.407 | 53% | 0.532 | S | S | . | . | trans | -79.6 | 42.3 | 163.3 | -67.1 | -160.8 | -172.4 | 0 | 0 | 112.7 | S640 R646 | E631-S640 WeakPolarHBondContact OE1-CB 3.34Å; E631-R646 IonicContact OE1-CZ 2.71Å; E631-R646 IonicContact OE1-NH1 2.93Å; E631-R646 PolarHBondContact OE1-NH1 3.02Å; E631-R646 IonicContact OE1-NH2 3.89Å; E631-R646 PolarHBondContact OE1-NH2 2.58Å | ||
| 632 | T | 52.5 | Low | 58.4 | Low | 112 Ų | 112 | 91.8 Ų | 91.8 | 69% | 0.687 | 49% | 0.493 | S | S | * | . | trans | -88.1 | -12 | -174.7 | 48.8 | 0 | 0 | 0 | 0 | 115 | E630 | E630-T632 PolarHBondContact O-N 2.7Å; E630-T632 VanDerWaalsContact O-N 3.07Å | ||
| 633 | E | 66.7 | Low | 61.1 | Low | 69 Ų | 69 | 83.1 Ų | 83.1 | 32% | 0.322 | 45% | 0.452 | S | S | . | . | trans | -92.3 | 113 | 178.6 | -68 | -178.3 | -179.1 | 0 | 0 | 111.5 | W635 A636 K637 R835 | E633-W635 VanDerWaalsContact C-N 3.27Å; E633-W635 PolarHBondContact O-N 2.81Å; E633-W635 VanDerWaalsContact O-N 3.12Å; E633-W635 WeakPolarHBondContact OE2-CZ2 3.45Å; E633-W635 PolarHBondContact OE2-NE1 3.22Å; E633-A636 HydrophobicContact CB-CB 4.36Å; E633-A636 PolarHBondContact O-N 3.17Å; E633-K637 PolarHBondContact O-N 3.23Å; E633-R835 VanDerWaalsContact CD-NH2 3.29Å; E633-R835 IonicContact OE2-CZ 2.89Å; E633-R835 IonicContact OE2-NH1 3.26Å; E633-R835 IonicContact OE2-NH2 3.65Å; E633-R835 PolarHBondContact OE2-NH2 3.31Å | ||
| 634 | A | 71.8 | Confident | 63.9 | Low | 89 Ų | 89 | 78.3 Ų | 78.3 | 74% | 0.736 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | -34 | -172.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | A636 P638 | A634-A636 VanDerWaalsContact C-N 3.29Å; A634-A636 PolarHBondContact O-N 3.43Å; A634-P638 WeakPolarHBondContact O-CD 3.09Å |
| 635 | W | 79.5 | Confident | 66.2 | Low | 59 Ų | 59 | 77.8 Ų | 77.8 | 22% | 0.223 | 42% | 0.42 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -24.8 | 178 | 73.5 | -91.5 | 0 | 0 | 0 | 113.4 | E633 L639 W643 F831 R835 A862 A863 | E633-W635 VanDerWaalsContact C-N 3.27Å; E633-W635 PolarHBondContact O-N 2.81Å; E633-W635 VanDerWaalsContact O-N 3.12Å; E633-W635 WeakPolarHBondContact OE2-CZ2 3.45Å; E633-W635 PolarHBondContact OE2-NE1 3.22Å; W635-L639 HydrophobicContact CZ3-CD1 4.38Å; W635-W643 HydrophobicContact CH2-CH2 4.01Å; W635-W643 HydrophobicContact CH2-CZ2 4.14Å; W635-W643 HydrophobicContact CZ3-CH2 4.37Å; W635-W643 HydrophobicContact CZ3-CZ2 4.3Å; W635-F831 HydrophobicContact CH2-CB 3.75Å; W635-F831 HydrophobicContact CH2-CG 4.39Å; W635-F831 HydrophobicContact CZ2-CB 3.72Å; W635-F831 HydrophobicContact CZ2-CD1 4.04Å; W635-F831 HydrophobicContact CZ2-CG 4.2Å; W635-R835 VanDerWaalsContact CH2-NH1 3.27Å; W635-A862 HydrophobicContact CE3-CB 3.88Å; W635-A862 HydrophobicContact CZ3-CB 3.85Å; W635-A863 HydrophobicContact CD2-CB 4.02Å; W635-A863 HydrophobicContact CE3-CB 4.14Å; W635-A863 HydrophobicContact CG-CB 4.45Å; W635-A863 HydrophobicContact CZ3-CB 4.49Å |
| 636 | A | 79 | Confident | 68.4 | Low | 7 Ų | 7 | 76.3 Ų | 76.3 | 6% | 0.058 | 40% | 0.4 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | -23.9 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | E633 A634 L639 S640 R835 | E633-A636 HydrophobicContact CB-CB 4.36Å; E633-A636 PolarHBondContact O-N 3.17Å; A634-A636 VanDerWaalsContact C-N 3.29Å; A634-A636 PolarHBondContact O-N 3.43Å; A636-L639 PolarHBondContact O-N 3.44Å; A636-S640 PolarHBondContact O-N 3.18Å; A636-R835 VanDerWaalsContact CB-NH1 3.33Å |
| 637 | K | 77.4 | Confident | 70.6 | Confident | 138 Ų | 138 | 73.7 Ų | 73.7 | 60% | 0.6 | 40% | 0.397 | S | S | * | . | G | 310 helix | trans | -57.5 | -41.6 | -178.1 | -173.2 | 176.8 | -178.5 | 178.4 | 0 | 113.9 | E633 L639 S640 | E633-K637 PolarHBondContact O-N 3.23Å; K637-L639 PolarHBondContact O-N 2.94Å; K637-S640 WeakPolarHBondContact O-CB 3.41Å; K637-S640 PolarHBondContact O-N 3.12Å; K637-S640 PolarHBondContact O-OG 2.98Å |
| 638 | P | 78.2 | Confident | 72.7 | Confident | 99 Ų | 99 | 71.3 Ų | 71.3 | 64% | 0.643 | 39% | 0.392 | S | S | * | . | G | 310 helix | trans | -67.4 | -14.5 | 175.6 | -20.1 | 33.9 | 0 | 0 | 0 | 114.2 | A634 | A634-P638 WeakPolarHBondContact O-CD 3.09Š|
| 639 | L | 83.7 | Confident | 75.1 | Confident | 13 Ų | 13 | 66.5 Ų | 66.5 | 7% | 0.068 | 37% | 0.372 | C | S | . | . | G | 310 helix | trans | -104.5 | 6.9 | -175.9 | -50.8 | 179.2 | 0 | 0 | 0 | 112.3 | W635 A636 K637 Q641 L642 W643 F656 L779 A862 | W635-L639 HydrophobicContact CZ3-CD1 4.38Å; A636-L639 PolarHBondContact O-N 3.44Å; K637-L639 PolarHBondContact O-N 2.94Å; L639-Q641 VanDerWaalsContact C-N 3.25Å; L639-Q641 PolarHBondContact O-N 3.25Å; L639-L642 HydrophobicContact CB-CD1 4.49Å; L639-L642 HydrophobicContact CD2-CD1 3.74Å; L639-L642 PolarHBondContact O-N 3.02Å; L639-W643 PolarHBondContact O-NE1 2.83Å; L639-F656 HydrophobicContact CD2-CD2 3.97Å; L639-F656 HydrophobicContact CD2-CE2 3.58Å; L639-F656 HydrophobicContact CD2-CZ 4.38Å; L639-L779 HydrophobicContact CB-CD2 4.3Å; L639-L779 HydrophobicContact CD1-CD1 4.16Å; L639-L779 HydrophobicContact CD1-CD2 4.49Å; L639-A862 HydrophobicContact CD1-CB 3.44Å; L639-A862 VanDerWaalsContact CD1-CB 3.44Å |
| 640 | S | 81.3 | Confident | 77.5 | Confident | 22 Ų | 22 | 65.3 Ų | 65.3 | 15% | 0.154 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -36.2 | -171.9 | 66.1 | 0 | 0 | 0 | 0 | 113 | E631 A636 K637 R646 | E631-S640 WeakPolarHBondContact OE1-CB 3.34Å; A636-S640 PolarHBondContact O-N 3.18Å; K637-S640 WeakPolarHBondContact O-CB 3.41Å; K637-S640 PolarHBondContact O-N 3.12Å; K637-S640 PolarHBondContact O-OG 2.98Å; S640-R646 WeakPolarHBondContact O-CD 2.92Å; S640-R646 PolarHBondContact O-NH1 3.19Å |
| 641 | Q | 84.9 | Confident | 79.5 | Confident | 87 Ų | 87 | 65.4 Ų | 65.4 | 41% | 0.407 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -9.6 | 176.7 | -61.6 | -60.7 | -40.3 | 0 | 0 | 114.2 | L639 N649 A652 | L639-Q641 VanDerWaalsContact C-N 3.25Å; L639-Q641 PolarHBondContact O-N 3.25Å; Q641-N649 PolarHBondContact OE1-ND2 3.45Å; Q641-A652 HydrophobicContact CB-CB 3.65Å; Q641-A652 HydrophobicContact CG-CB 4.38Å |
| 642 | L | 87.1 | Confident | 81.2 | Confident | 5 Ų | 5 | 62 Ų | 62 | 3% | 0.026 | 34% | 0.338 | C | S | . | . | trans | -100.4 | -1.4 | -172.7 | -55.5 | 175.8 | 0 | 0 | 0 | 113.6 | L639 Q644 A652 E653 F656 L779 R780 | L639-L642 HydrophobicContact CB-CD1 4.49Å; L639-L642 HydrophobicContact CD2-CD1 3.74Å; L639-L642 PolarHBondContact O-N 3.02Å; L642-Q644 PolarHBondContact O-N 2.89Å; L642-A652 HydrophobicContact CD2-CB 4.31Å; L642-E653 HydrophobicContact CD2-CB 4.4Å; L642-E653 HydrophobicContact CD2-CG 3.9Å; L642-F656 HydrophobicContact CD1-CB 3.66Å; L642-F656 HydrophobicContact CD1-CD1 3.91Å; L642-F656 HydrophobicContact CD1-CD2 3.49Å; L642-F656 VanDerWaalsContact CD1-CD2 3.49Å; L642-F656 HydrophobicContact CD1-CE1 4.43Å; L642-F656 HydrophobicContact CD1-CE2 4.08Å; L642-F656 HydrophobicContact CD1-CG 3.39Å; L642-F656 HydrophobicContact CD2-CB 4.24Å; L642-L779 HydrophobicContact CB-CD2 4.42Å; L642-L779 CarbonylContact O-C 3.45Å; L642-L779 WeakPolarHBondContact O-CA 3.46Å; L642-R780 WeakPolarHBondContact O-CG 3.47Å; L642-R780 PolarHBondContact O-N 3.08Å | ||
| 643 | W | 87.1 | Confident | 83 | Confident | 12 Ų | 12 | 56.8 Ų | 56.8 | 5% | 0.045 | 31% | 0.306 | C | S | . | . | B | Isolated β-bridge | trans | -73.9 | 128.1 | 176.9 | -65.4 | 96.5 | 0 | 0 | 0 | 110.6 | W635 L639 N645 R646 L779 C832 | W635-W643 HydrophobicContact CH2-CH2 4.01Å; W635-W643 HydrophobicContact CH2-CZ2 4.14Å; W635-W643 HydrophobicContact CZ3-CH2 4.37Å; W635-W643 HydrophobicContact CZ3-CZ2 4.3Å; L639-W643 PolarHBondContact O-NE1 2.83Å; W643-N645 WeakPolarHBondContact CB-OD1 3.18Å; W643-N645 PolarHBondContact O-N 3.01Å; W643-N645 PolarHBondContact O-OD1 3.08Å; W643-R646 PolarHBondContact O-N 2.97Å; W643-L779 HydrophobicContact CD2-CD2 3.64Å; W643-L779 HydrophobicContact CE3-CD2 3.65Å; W643-L779 HydrophobicContact CE3-CG 4.24Å; W643-L779 HydrophobicContact CG-CD2 4.15Å; W643-L779 HydrophobicContact CH2-CD2 4.16Å; W643-L779 HydrophobicContact CZ2-CD2 4.15Å; W643-L779 HydrophobicContact CZ3-CD2 3.92Å; W643-L779 HydrophobicContact CZ3-CG 4.17Å; W643-C832 HydrophobicContact CH2-CB 4.11Å; W643-C832 HydrophobicContact CZ3-CB 3.69Å |
| 644 | Q | 86 | Confident | 84.3 | Confident | 22 Ų | 22 | 56 Ų | 56 | 10% | 0.103 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | 5.5 | 179.1 | -64.2 | 175.3 | -5.1 | 0 | 0 | 114.7 | L642 D773 C774 C777 S778 L779 R780 R836 | L642-Q644 PolarHBondContact O-N 2.89Å; Q644-D773 HydrophobicContact CG-CB 4.28Å; Q644-D773 WeakPolarHBondContact CG-OD2 3.4Å; Q644-C774 PolarHBondContact NE2-O 3.29Å; Q644-C777 PolarHBondContact OE1-O 3.35Å; Q644-S778 PolarHBondContact N-O 3.33Å; Q644-L779 PolarHBondContact NE2-O 3.2Å; Q644-R780 HydrophobicContact CG-CG 3.92Å; Q644-R836 PolarHBondContact O-NH2 3.2Å |
| 645 | N | 80.8 | Confident | 85.2 | Confident | 74 Ų | 74 | 58 Ų | 58 | 40% | 0.396 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | -14.1 | 171.8 | 67.5 | -16.2 | 0 | 0 | 0 | 112.7 | W643 R835 R836 | W643-N645 WeakPolarHBondContact CB-OD1 3.18Å; W643-N645 PolarHBondContact O-N 3.01Å; W643-N645 PolarHBondContact O-OD1 3.08Å; N645-R835 PolarHBondContact ND2-O 2.83Å; N645-R836 HydrophobicContact CB-CG 4.07Å |
| 646 | R | 82.4 | Confident | 85.8 | Confident | 81 Ų | 81 | 57.4 Ų | 57.4 | 31% | 0.306 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -95.4 | 162 | 169.9 | -67 | -170.7 | 178.6 | 163.8 | -2.5 | 109.6 | E631 S640 W643 R780 | E631-R646 IonicContact OE1-CZ 2.71Å; E631-R646 IonicContact OE1-NH1 2.93Å; E631-R646 PolarHBondContact OE1-NH1 3.02Å; E631-R646 IonicContact OE1-NH2 3.89Å; E631-R646 PolarHBondContact OE1-NH2 2.58Å; S640-R646 WeakPolarHBondContact O-CD 2.92Å; S640-R646 PolarHBondContact O-NH1 3.19Å; W643-R646 PolarHBondContact O-N 2.97Å; R646-R780 PolarHBondContact O-NH1 3.42Å |
| 647 | P | 84.3 | Confident | 86.5 | Confident | 105 Ų | 105 | 57.2 Ų | 57.2 | 68% | 0.682 | 29% | 0.292 | S | S | * | . | P | Polyproline II helix | trans | -53.8 | 151.8 | 175 | -26.5 | 35.9 | 0 | 0 | 0 | 112.7 | N649 R780 | P647-N649 PolarHBondContact O-N 3.47Å; P647-R780 PolarHBondContact O-NH1 2.82Å |
| 648 | P | 85.1 | Confident | 87.2 | Confident | 73 Ų | 73 | 54.2 Ų | 54.2 | 47% | 0.474 | 28% | 0.281 | S | S | . | . | P | Polyproline II helix | trans | -57.8 | 129.7 | 173.2 | -23.9 | 34.7 | 0 | 0 | 0 | 111.7 | ||
| 649 | N | 89.4 | Confident | 87.7 | Confident | 56 Ų | 56 | 52.5 Ų | 52.5 | 30% | 0.299 | 27% | 0.269 | S | S | . | . | trans | -128.9 | 87.5 | 177 | -175.5 | -14.8 | 0 | 0 | 0 | 108.7 | Q641 P647 E651 A652 E653 | Q641-N649 PolarHBondContact OE1-ND2 3.45Å; P647-N649 PolarHBondContact O-N 3.47Å; N649-E651 VanDerWaalsContact C-N 3.3Å; N649-E651 PolarHBondContact O-N 3.44Å; N649-A652 HydrophobicContact CB-CB 4.11Å; N649-A652 PolarHBondContact O-N 3.14Å; N649-A652 PolarHBondContact OD1-N 3.39Å; N649-E653 PolarHBondContact O-N 3.05Å | ||
| 650 | F | 89.6 | Confident | 87.9 | Confident | 56 Ų | 56 | 52.7 Ų | 52.7 | 25% | 0.246 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.4 | -30.9 | -172.1 | -173.6 | -102.2 | 0 | 0 | 0 | 113.4 | E653 K654 K739 C740 L770 | F650-E653 PolarHBondContact O-N 3.42Å; F650-K654 WeakPolarHBondContact O-CB 3.48Å; F650-K654 PolarHBondContact O-N 3.25Å; F650-K739 VanDerWaalsContact CE1-O 3.29Å; F650-K739 WeakPolarHBondContact CE1-O 3.25Å; F650-K739 HydrophobicContact CZ-CG 4.27Å; F650-K739 VanDerWaalsContact CZ-O 3.26Å; F650-K739 WeakPolarHBondContact CZ-O 3.41Å; F650-C740 HydrophobicContact CE2-CB 3.89Å; F650-C740 HydrophobicContact CZ-CB 3.64Å; F650-L770 HydrophobicContact CD2-CB 4.42Å; F650-L770 HydrophobicContact CE2-CB 4.45Å; F650-L770 HydrophobicContact CE2-CD1 4.45Å; F650-L770 HydrophobicContact CE2-CD2 3.89Å; F650-L770 HydrophobicContact CE2-CG 4.49Å; F650-L770 HydrophobicContact CZ-CD2 4.2Å |
| 651 | E | 89.3 | Confident | 88.3 | Confident | 108 Ų | 108 | 52 Ų | 52 | 51% | 0.505 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -72.2 | -37 | 177.7 | -160.5 | 61.8 | -156.4 | 0 | 0 | 111.1 | N649 K654 E655 | N649-E651 VanDerWaalsContact C-N 3.3Å; N649-E651 PolarHBondContact O-N 3.44Å; E651-K654 WeakPolarHBondContact O-CB 3.42Å; E651-K654 PolarHBondContact O-N 3.17Å; E651-K654 IonicContact OE1-NZ 3.98Å; E651-K654 PolarHBondContact OE1-NZ 3.43Å; E651-K654 IonicContact OE2-NZ 3.61Å; E651-E655 WeakPolarHBondContact O-CB 3.41Å; E651-E655 PolarHBondContact O-N 2.84Å |
| 652 | A | 89.1 | Confident | 88.4 | Confident | 14 Ų | 14 | 55 Ų | 55 | 12% | 0.116 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66.4 | -37 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q641 L642 N649 K654 F656 | Q641-A652 HydrophobicContact CB-CB 3.65Å; Q641-A652 HydrophobicContact CG-CB 4.38Å; L642-A652 HydrophobicContact CD2-CB 4.31Å; N649-A652 HydrophobicContact CB-CB 4.11Å; N649-A652 PolarHBondContact O-N 3.14Å; N649-A652 PolarHBondContact OD1-N 3.39Å; A652-K654 VanDerWaalsContact C-N 3.29Å; A652-K654 PolarHBondContact O-N 3.26Å; A652-F656 VanDerWaalsContact O-CB 3.29Å; A652-F656 WeakPolarHBondContact O-CB 3.21Å; A652-F656 PolarHBondContact O-N 3.44Å |
| 653 | E | 91.1 | Very high | 88.4 | Confident | 3 Ų | 3 | 58.4 Ų | 58.4 | 1% | 0.014 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.5 | -38.3 | 171.2 | -74.5 | -170.3 | -120.1 | 0 | 0 | 112.4 | L642 N649 F650 N657 R764 R780 G781 | L642-E653 HydrophobicContact CD2-CB 4.4Å; L642-E653 HydrophobicContact CD2-CG 3.9Å; N649-E653 PolarHBondContact O-N 3.05Å; F650-E653 PolarHBondContact O-N 3.42Å; E653-N657 WeakPolarHBondContact O-CB 3.4Å; E653-N657 PolarHBondContact O-N 3.1Å; E653-N657 PolarHBondContact O-ND2 3.5Å; E653-R764 IonicContact OE1-NH1 3.42Å; E653-R764 IonicContact OE2-CZ 3.52Å; E653-R764 IonicContact OE2-NH1 3.53Å; E653-R764 PolarHBondContact OE2-NH1 3.43Å; E653-R764 IonicContact OE2-NH2 2.71Å; E653-R764 PolarHBondContact OE2-NH2 3.13Å; E653-R780 VanDerWaalsContact CD-CB 3.5Å; E653-R780 HydrophobicContact CG-CB 3.69Å; E653-R780 WeakPolarHBondContact OE1-CD 3.16Å; E653-G781 WeakPolarHBondContact OE2-CA 3.36Å; E653-G781 PolarHBondContact OE2-N 3.29Å |
| 654 | K | 92.3 | Very high | 88.1 | Confident | 54 Ų | 54 | 60.9 Ų | 60.9 | 24% | 0.235 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -70 | -47.9 | 178 | 176.1 | 177.7 | 155.3 | -119.4 | 0 | 111.7 | F650 E651 A652 F656 N657 E658 | F650-K654 WeakPolarHBondContact O-CB 3.48Å; F650-K654 PolarHBondContact O-N 3.25Å; E651-K654 WeakPolarHBondContact O-CB 3.42Å; E651-K654 PolarHBondContact O-N 3.17Å; E651-K654 IonicContact OE1-NZ 3.98Å; E651-K654 PolarHBondContact OE1-NZ 3.43Å; E651-K654 IonicContact OE2-NZ 3.61Å; A652-K654 VanDerWaalsContact C-N 3.29Å; A652-K654 PolarHBondContact O-N 3.26Å; K654-F656 VanDerWaalsContact C-N 3.3Å; K654-F656 PolarHBondContact O-N 2.88Å; K654-N657 WeakPolarHBondContact O-CB 3.15Å; K654-N657 PolarHBondContact O-N 2.68Å; K654-N657 VanDerWaalsContact O-N 3.13Å; K654-E658 WeakPolarHBondContact CE-OE1 3.33Å; K654-E658 WeakPolarHBondContact CG-OE1 3.49Å; K654-E658 WeakPolarHBondContact O-CG 3.34Å; K654-E658 PolarHBondContact O-N 3.42Å |
| 655 | E | 92.1 | Very high | 88.2 | Confident | 131 Ų | 131 | 60.4 Ų | 60.4 | 61% | 0.612 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -57.1 | -42.9 | 173.8 | -177.7 | -177.4 | -166.6 | 0 | 0 | 111.7 | E651 E658 T659 | E651-E655 WeakPolarHBondContact O-CB 3.41Å; E651-E655 PolarHBondContact O-N 2.84Å; E655-E658 PolarHBondContact O-N 2.72Å; E655-T659 WeakPolarHBondContact O-CB 3.48Å; E655-T659 PolarHBondContact O-N 3.1Å; E655-T659 PolarHBondContact O-OG1 3.23Å |
| 656 | F | 91.4 | Very high | 88.6 | Confident | 46 Ų | 46 | 59.3 Ų | 59.3 | 20% | 0.202 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.1 | -47.1 | 173.5 | 173.4 | -103.9 | 0 | 0 | 0 | 112 | L639 L642 A652 K654 E658 T659 M660 | L639-F656 HydrophobicContact CD2-CD2 3.97Å; L639-F656 HydrophobicContact CD2-CE2 3.58Å; L639-F656 HydrophobicContact CD2-CZ 4.38Å; L642-F656 HydrophobicContact CD1-CB 3.66Å; L642-F656 HydrophobicContact CD1-CD1 3.91Å; L642-F656 HydrophobicContact CD1-CD2 3.49Å; L642-F656 VanDerWaalsContact CD1-CD2 3.49Å; L642-F656 HydrophobicContact CD1-CE1 4.43Å; L642-F656 HydrophobicContact CD1-CE2 4.08Å; L642-F656 HydrophobicContact CD1-CG 3.39Å; L642-F656 HydrophobicContact CD2-CB 4.24Å; A652-F656 VanDerWaalsContact O-CB 3.29Å; A652-F656 WeakPolarHBondContact O-CB 3.21Å; A652-F656 PolarHBondContact O-N 3.44Å; K654-F656 VanDerWaalsContact C-N 3.3Å; K654-F656 PolarHBondContact O-N 2.88Å; F656-E658 VanDerWaalsContact C-N 3.31Å; F656-E658 PolarHBondContact O-N 3.29Å; F656-T659 PolarHBondContact O-N 3.04Å; F656-M660 HydrophobicContact CD1-CG 4.28Å; F656-M660 HydrophobicContact CD2-CG 4.07Å; F656-M660 HydrophobicContact CE1-CG 3.96Å; F656-M660 HydrophobicContact CE2-CG 3.72Å; F656-M660 HydrophobicContact CE2-SD 3.97Å; F656-M660 HydrophobicContact CG-CG 4.35Å; F656-M660 HydrophobicContact CZ-CE 4.06Å; F656-M660 HydrophobicContact CZ-CG 3.66Å; F656-M660 HydrophobicContact CZ-SD 3.99Å; F656-M660 WeakPolarHBondContact O-CB 3.43Å; F656-M660 WeakPolarHBondContact O-CG 3.41Å; F656-M660 PolarHBondContact O-N 3.44Å |
| 657 | N | 93.3 | Very high | 89.2 | Confident | 2 Ų | 2 | 55.5 Ų | 55.5 | 1% | 0.011 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.9 | -37.8 | 177.6 | -76.3 | -23.5 | 0 | 0 | 0 | 112.4 | E653 K654 M660 A661 C740 V742 G782 | E653-N657 WeakPolarHBondContact O-CB 3.4Å; E653-N657 PolarHBondContact O-N 3.1Å; E653-N657 PolarHBondContact O-ND2 3.5Å; K654-N657 WeakPolarHBondContact O-CB 3.15Å; K654-N657 PolarHBondContact O-N 2.68Å; K654-N657 VanDerWaalsContact O-N 3.13Å; N657-M660 PolarHBondContact O-N 3.37Å; N657-A661 VanDerWaalsContact O-CB 3.29Å; N657-A661 WeakPolarHBondContact O-CB 3.37Å; N657-A661 PolarHBondContact O-N 3.12Å; N657-C740 WeakPolarHBondContact CB-O 3.32Å; N657-C740 PolarHBondContact ND2-O 3.2Å; N657-V742 HydrophobicContact CB-CB 4.35Å; N657-G782 PolarHBondContact OD1-N 2.77Å |
| 658 | E | 92.2 | Very high | 89.5 | Confident | 75 Ų | 75 | 51 Ų | 51 | 35% | 0.35 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -67.8 | -44.6 | 175.6 | -72.2 | 172.2 | -167.5 | 0 | 0 | 111.6 | K654 E655 F656 M660 A661 Q662 S741 | K654-E658 WeakPolarHBondContact CE-OE1 3.33Å; K654-E658 WeakPolarHBondContact CG-OE1 3.49Å; K654-E658 WeakPolarHBondContact O-CG 3.34Å; K654-E658 PolarHBondContact O-N 3.42Å; E655-E658 PolarHBondContact O-N 2.72Å; F656-E658 VanDerWaalsContact C-N 3.31Å; F656-E658 PolarHBondContact O-N 3.29Å; E658-M660 VanDerWaalsContact C-N 3.31Å; E658-M660 PolarHBondContact O-N 3.44Å; E658-A661 WeakPolarHBondContact O-CB 3.47Å; E658-A661 PolarHBondContact O-N 2.92Å; E658-Q662 WeakPolarHBondContact O-CG 3.38Å; E658-Q662 PolarHBondContact O-N 3.2Å; E658-Q662 VanDerWaalsContact O-N 3.13Å; E658-S741 VanDerWaalsContact OE1-CB 3.23Å; E658-S741 WeakPolarHBondContact OE1-CB 3.34Å; E658-S741 PolarHBondContact OE1-OG 3.26Å |
| 659 | T | 90.2 | Very high | 89.9 | Confident | 64 Ų | 64 | 47.5 Ų | 47.5 | 39% | 0.393 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -59.4 | -42.8 | 173.8 | -58.4 | 0 | 0 | 0 | 0 | 111.4 | E655 F656 Q662 | E655-T659 WeakPolarHBondContact O-CB 3.48Å; E655-T659 PolarHBondContact O-N 3.1Å; E655-T659 PolarHBondContact O-OG1 3.23Å; F656-T659 PolarHBondContact O-N 3.04Å; T659-Q662 PolarHBondContact O-N 3.17Å |
| 660 | M | 87.1 | Confident | 90 | Very high | 17 Ų | 17 | 44.8 Ų | 44.8 | 8% | 0.084 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -70.8 | -29.8 | 177.2 | -68.3 | -71.8 | -77.5 | 0 | 0 | 112.5 | F656 N657 E658 Q662 M671 Q861 | F656-M660 HydrophobicContact CD1-CG 4.28Å; F656-M660 HydrophobicContact CD2-CG 4.07Å; F656-M660 HydrophobicContact CE1-CG 3.96Å; F656-M660 HydrophobicContact CE2-CG 3.72Å; F656-M660 HydrophobicContact CE2-SD 3.97Å; F656-M660 HydrophobicContact CG-CG 4.35Å; F656-M660 HydrophobicContact CZ-CE 4.06Å; F656-M660 HydrophobicContact CZ-CG 3.66Å; F656-M660 HydrophobicContact CZ-SD 3.99Å; F656-M660 WeakPolarHBondContact O-CB 3.43Å; F656-M660 WeakPolarHBondContact O-CG 3.41Å; F656-M660 PolarHBondContact O-N 3.44Å; N657-M660 PolarHBondContact O-N 3.37Å; E658-M660 VanDerWaalsContact C-N 3.31Å; E658-M660 PolarHBondContact O-N 3.44Å; M660-Q662 VanDerWaalsContact C-N 3.31Å; M660-M671 HydrophobicContact CE-CB 3.85Å; M660-M671 HydrophobicContact CE-CE 3.63Å; M660-M671 HydrophobicContact CE-CG 3.7Å; M660-M671 HydrophobicContact SD-CE 3.73Å; M660-Q861 VanDerWaalsContact CE-NE2 3.34Å |
| 661 | A | 89.2 | Confident | 90 | Very high | 8 Ų | 8 | 42.3 Ų | 42.3 | 7% | 0.066 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -71.7 | -23.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | N657 E658 H666 R743 | N657-A661 VanDerWaalsContact O-CB 3.29Å; N657-A661 WeakPolarHBondContact O-CB 3.37Å; N657-A661 PolarHBondContact O-N 3.12Å; E658-A661 WeakPolarHBondContact O-CB 3.47Å; E658-A661 PolarHBondContact O-N 2.92Å; A661-H666 WeakPolarHBondContact O-CB 3.43Å; A661-H666 PolarHBondContact O-ND1 3.24Å; A661-R743 HydrophobicContact CB-CB 3.54Å; A661-R743 HydrophobicContact CB-CG 4.37Å |
| 662 | Q | 88.2 | Confident | 90 | Very high | 150 Ų | 150 | 37.2 Ų | 37.2 | 70% | 0.701 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -80.3 | -22.6 | 176.1 | -69.3 | 173.7 | 30.2 | 0 | 0 | 113.3 | E658 T659 M660 H666 | E658-Q662 WeakPolarHBondContact O-CG 3.38Å; E658-Q662 PolarHBondContact O-N 3.2Å; E658-Q662 VanDerWaalsContact O-N 3.13Å; T659-Q662 PolarHBondContact O-N 3.17Å; M660-Q662 VanDerWaalsContact C-N 3.31Å; Q662-H666 PolarHBondContact O-CE1 3.12Å; Q662-H666 PolarHBondContact O-ND1 2.8Å |
| 663 | Q | 85.6 | Confident | 90.1 | Very high | 76 Ų | 76 | 36.7 Ų | 36.7 | 36% | 0.355 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -86.4 | 130.3 | -179.8 | -64.2 | 179.7 | 34.2 | 0 | 0 | 111.5 | H666 M671 | Q663-H666 VanDerWaalsContact O-CA 3.25Å; Q663-H666 WeakPolarHBondContact O-CA 3.48Å; Q663-H666 PolarHBondContact O-N 3.39Å; Q663-M671 HydrophobicContact CB-CE 3.95Å |
| 664 | A | 81.9 | Confident | 89.7 | Confident | 64 Ų | 64 | 37.8 Ų | 37.8 | 53% | 0.529 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | 133.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q674 | A664-Q674 PolarHBondContact O-NE2 3.38Š|
| 665 | P | 87 | Confident | 89.1 | Confident | 12 Ų | 12 | 36.5 Ų | 36.5 | 8% | 0.078 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -89.1 | 14.3 | 15.5 | 38.7 | -42.2 | 0 | 0 | 0 | 116.1 | C667 C670 T701 L704 | P665-C667 VanDerWaalsContact C-N 3.26Å; P665-C667 PolarHBondContact O-N 2.83Å; P665-C670 HydrophobicContact CG-CB 3.53Å; P665-T701 PolarHBondContact O-OG1 3.22Å; P665-L704 HydrophobicContact CB-CD1 4.05Å; P665-L704 HydrophobicContact CB-CG 3.9Å; P665-L704 HydrophobicContact CG-CD1 3.63Å; P665-L704 HydrophobicContact CG-CG 3.81Å |
| 666 | H | 90.8 | Very high | 88.4 | Confident | 51 Ų | 51 | 32.3 Ų | 32.3 | 24% | 0.236 | 17% | 0.17 | C | C | . | . | trans | 68.7 | 10.7 | 179.4 | -48.3 | -77.7 | 0 | 0 | 0 | 115.8 | A661 Q662 Q663 L734 R743 | A661-H666 WeakPolarHBondContact O-CB 3.43Å; A661-H666 PolarHBondContact O-ND1 3.24Å; Q662-H666 PolarHBondContact O-CE1 3.12Å; Q662-H666 PolarHBondContact O-ND1 2.8Å; Q663-H666 VanDerWaalsContact O-CA 3.25Å; Q663-H666 WeakPolarHBondContact O-CA 3.48Å; Q663-H666 PolarHBondContact O-N 3.39Å; H666-L734 HydrophobicContact CB-CD1 3.75Å; H666-L734 HydrophobicContact CB-CD2 4.32Å; H666-R743 VanDerWaalsContact O-CD 3.22Å; H666-R743 WeakPolarHBondContact O-CD 3.23Å; H666-R743 WeakPolarHBondContact O-CG 3.35Å | ||
| 667 | C | 93.2 | Very high | 87.6 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.178 | C | C | . | . | trans | -119.5 | 119.3 | 176.6 | 165.5 | 0 | 0 | 0 | 0 | 111.3 | P665 V669 C670 M671 L734 R743 H745 | P665-C667 VanDerWaalsContact C-N 3.26Å; P665-C667 PolarHBondContact O-N 2.83Å; C667-V669 PolarHBondContact O-N 3.01Å; C667-V669 PolarHBondContact SG-N 3.02Å; C667-V669 VanDerWaalsContact SG-N 3.42Å; C667-C670 HydrophobicContact CB-CB 4.03Å; C667-C670 PolarHBondContact O-N 3.04Å; C667-M671 WeakPolarHBondContact O-CG 3.39Å; C667-M671 PolarHBondContact O-N 3.35Å; C667-L734 HydrophobicContact CB-CD2 4.21Å; C667-R743 WeakPolarHBondContact CA-O 3.1Å; C667-H745 HydrophobicContact CB-CB 4.47Å; C667-H745 WeakPolarHBondContact CB-ND1 3.38Å; C667-H745 PolarHBondContact SG-N 3.34Å | ||
| 668 | A | 92.2 | Very high | 86.5 | Confident | 10 Ų | 10 | 38.8 Ų | 38.8 | 8% | 0.083 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -15.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | V742 R743 V744 | A668-V742 HydrophobicContact CB-CG2 3.73Å; A668-R743 WeakPolarHBondContact CB-O 3.5Å; A668-R743 PolarHBondContact N-O 2.96Å; A668-V744 HydrophobicContact CB-CG1 4.43Å |
| 669 | V | 92.8 | Very high | 85.1 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -52.5 | 169.9 | -158.3 | 0 | 0 | 0 | 0 | 109.9 | C667 M671 I672 I705 V744 C748 A783 V795 | C667-V669 PolarHBondContact O-N 3.01Å; C667-V669 PolarHBondContact SG-N 3.02Å; C667-V669 VanDerWaalsContact SG-N 3.42Å; V669-M671 PolarHBondContact O-N 3.3Å; V669-M671 VanDerWaalsContact O-N 3.09Å; V669-I672 PolarHBondContact O-N 2.86Å; V669-I705 HydrophobicContact CB-CD1 3.9Å; V669-I705 HydrophobicContact CG1-CD1 3.46Å; V669-I705 VanDerWaalsContact CG1-CD1 3.46Å; V669-V744 HydrophobicContact CG2-CG1 3.92Å; V669-C748 HydrophobicContact CB-CB 4.15Å; V669-C748 HydrophobicContact CG2-CB 4.13Å; V669-A783 HydrophobicContact CG2-CB 3.93Å; V669-V795 HydrophobicContact CG1-CB 3.92Å; V669-V795 HydrophobicContact CG1-CG1 3.63Å; V669-V795 HydrophobicContact CG2-CB 4.3Å; V669-V795 HydrophobicContact CG2-CG1 4.39Å |
| 670 | C | 91.4 | Very high | 83.3 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | -62.2 | -16.6 | -177.4 | -69.4 | 0 | 0 | 0 | 0 | 114.7 | P665 C667 I672 F673 L704 I705 H745 | P665-C670 HydrophobicContact CG-CB 3.53Å; C667-C670 HydrophobicContact CB-CB 4.03Å; C667-C670 PolarHBondContact O-N 3.04Å; C670-I672 PolarHBondContact O-N 3.29Å; C670-F673 PolarHBondContact O-N 3.09Å; C670-L704 HydrophobicContact CB-CB 4.04Å; C670-L704 HydrophobicContact CB-CG 4.37Å; C670-L704 PolarHBondContact SG-N 2.91Å; C670-L704 VanDerWaalsContact SG-N 3.4Å; C670-I705 HydrophobicContact CB-CD1 4.47Å; C670-I705 HydrophobicContact CB-CG1 4.47Å; C670-H745 PolarHBondContact SG-ND1 2.85Å |
| 671 | M | 89.3 | Confident | 81.7 | Confident | 4 Ų | 4 | 41.7 Ų | 41.7 | 2% | 0.02 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -58.8 | -15.6 | 176.2 | -67.9 | -65.4 | -78.6 | 0 | 0 | 114.3 | M660 Q663 C667 V669 F673 Q674 | M660-M671 HydrophobicContact CE-CB 3.85Å; M660-M671 HydrophobicContact CE-CE 3.63Å; M660-M671 HydrophobicContact CE-CG 3.7Å; M660-M671 HydrophobicContact SD-CE 3.73Å; Q663-M671 HydrophobicContact CB-CE 3.95Å; C667-M671 WeakPolarHBondContact O-CG 3.39Å; C667-M671 PolarHBondContact O-N 3.35Å; V669-M671 PolarHBondContact O-N 3.3Å; V669-M671 VanDerWaalsContact O-N 3.09Å; M671-F673 VanDerWaalsContact C-N 3.29Å; M671-F673 PolarHBondContact O-N 3.2Å; M671-Q674 PolarHBondContact O-N 3.2Å; M671-Q674 HydrophobicContact SD-CB 4.41Å; M671-Q674 HydrophobicContact SD-CG 4.32Å |
| 672 | I | 90.3 | Very high | 79.6 | Confident | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -63.7 | -31.3 | 171.6 | 62.3 | -177.9 | 0 | 0 | 0 | 113.6 | V669 C670 I705 S796 V799 | V669-I672 PolarHBondContact O-N 2.86Å; C670-I672 PolarHBondContact O-N 3.29Å; I672-I705 HydrophobicContact CD1-CD1 4.19Å; I672-I705 HydrophobicContact CD1-CG1 4.46Å; I672-I705 HydrophobicContact CG1-CD1 4.44Å; I672-S796 VanDerWaalsContact CG2-CB 3.47Å; I672-V799 HydrophobicContact CD1-CB 4.3Å; I672-V799 HydrophobicContact CD1-CG1 3.77Å |
| 673 | F | 89.6 | Confident | 77.4 | Confident | 2 Ų | 2 | 39.9 Ų | 39.9 | 1% | 0.009 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -102.6 | 4.5 | -178.3 | -60.3 | -41.1 | 0 | 0 | 0 | 113.2 | C670 M671 T675 Y676 H677 L704 I705 M867 Q868 P869 V876 | C670-F673 PolarHBondContact O-N 3.09Å; M671-F673 VanDerWaalsContact C-N 3.29Å; M671-F673 PolarHBondContact O-N 3.2Å; F673-T675 VanDerWaalsContact C-N 3.3Å; F673-T675 PolarHBondContact O-N 3.13Å; F673-Y676 PolarHBondContact O-N 3.14Å; F673-Y676 VanDerWaalsContact O-N 3.15Å; F673-H677 PolarHBondContact O-N 3.07Å; F673-L704 HydrophobicContact CB-CB 4.26Å; F673-L704 VanDerWaalsContact CD2-O 3.28Å; F673-L704 WeakPolarHBondContact CD2-O 3.22Å; F673-I705 HydrophobicContact CD2-CB 4.34Å; F673-I705 HydrophobicContact CD2-CG1 3.63Å; F673-I705 HydrophobicContact CE2-CB 4.08Å; F673-I705 HydrophobicContact CE2-CG1 3.63Å; F673-I705 HydrophobicContact CE2-CG2 4.12Å; F673-M867 HydrophobicContact CD1-CB 4.29Å; F673-M867 HydrophobicContact CE1-CB 4.48Å; F673-Q868 VanDerWaalsContact CE1-C 3.45Å; F673-P869 HydrophobicContact CD1-CG 4.41Å; F673-P869 HydrophobicContact CD2-CG 3.97Å; F673-P869 HydrophobicContact CE1-CG 4.24Å; F673-P869 HydrophobicContact CE2-CG 3.77Å; F673-P869 HydrophobicContact CG-CG 4.27Å; F673-P869 HydrophobicContact CZ-CB 4.43Å; F673-P869 HydrophobicContact CZ-CG 3.91Å; F673-V876 HydrophobicContact CE1-CG1 4.09Å; F673-V876 HydrophobicContact CE1-CG2 4.12Å; F673-V876 HydrophobicContact CZ-CG2 3.94Å |
| 674 | Q | 84.6 | Confident | 74.8 | Confident | 26 Ų | 26 | 45.2 Ų | 45.2 | 12% | 0.121 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -58.5 | -41.6 | -178.8 | -166.6 | -162.3 | 35.4 | 0 | 0 | 111.8 | A664 M671 Y676 H677 Q678 | A664-Q674 PolarHBondContact O-NE2 3.38Å; M671-Q674 PolarHBondContact O-N 3.2Å; M671-Q674 HydrophobicContact SD-CB 4.41Å; M671-Q674 HydrophobicContact SD-CG 4.32Å; Q674-Y676 VanDerWaalsContact C-N 3.29Å; Q674-Y676 PolarHBondContact O-N 3.42Å; Q674-H677 PolarHBondContact O-N 3Å; Q674-Q678 HydrophobicContact CG-CG 4.49Å; Q674-Q678 WeakPolarHBondContact O-CB 3.26Å; Q674-Q678 VanDerWaalsContact O-CG 3.24Å; Q674-Q678 WeakPolarHBondContact O-CG 3.35Å; Q674-Q678 PolarHBondContact O-N 2.87Å |
| 675 | T | 79.3 | Confident | 72.4 | Confident | 28 Ų | 28 | 47.7 Ų | 47.7 | 17% | 0.172 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66.6 | -28.3 | 179.7 | 54.3 | 0 | 0 | 0 | 0 | 113.2 | F673 V679 V865 | F673-T675 VanDerWaalsContact C-N 3.3Å; F673-T675 PolarHBondContact O-N 3.13Å; T675-V679 WeakPolarHBondContact O-CG2 3.48Å; T675-V865 PolarHBondContact OG1-O 2.86Å; T675-V865 VanDerWaalsContact OG1-O 3.1Å |
| 676 | Y | 77 | Confident | 69.8 | Low | 42 Ų | 42 | 55.6 Ų | 55.6 | 17% | 0.165 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -79.4 | -48.6 | 174 | 172.2 | -105 | 0 | 0 | 0 | 111.2 | F673 Q674 Q678 V679 E680 M867 Q868 | F673-Y676 PolarHBondContact O-N 3.14Å; F673-Y676 VanDerWaalsContact O-N 3.15Å; Q674-Y676 VanDerWaalsContact C-N 3.29Å; Q674-Y676 PolarHBondContact O-N 3.42Å; Y676-Q678 VanDerWaalsContact C-N 3.31Å; Y676-Q678 PolarHBondContact O-N 3.1Å; Y676-V679 WeakPolarHBondContact O-CA 3.47Å; Y676-V679 PolarHBondContact O-N 2.79Å; Y676-E680 HydrophobicContact CD1-CG 4.4Å; Y676-E680 HydrophobicContact CD2-CG 4.19Å; Y676-E680 HydrophobicContact CE1-CG 3.94Å; Y676-E680 VanDerWaalsContact CE1-OE2 3.32Å; Y676-E680 WeakPolarHBondContact CE1-OE2 3.41Å; Y676-E680 HydrophobicContact CE2-CG 3.77Å; Y676-E680 VanDerWaalsContact CZ-CD 3.49Å; Y676-E680 PolarHBondContact O-N 2.85Å; Y676-E680 PolarHBondContact OH-OE2 2.95Å; Y676-M867 WeakPolarHBondContact CB-O 3.44Å; Y676-Q868 HydrophobicContact CD1-CB 3.88Å; Y676-Q868 HydrophobicContact CD2-CB 3.32Å; Y676-Q868 HydrophobicContact CD2-CG 4.32Å; Y676-Q868 HydrophobicContact CE1-CB 4.05Å; Y676-Q868 HydrophobicContact CE2-CB 3.46Å; Y676-Q868 VanDerWaalsContact CE2-CB 3.46Å; Y676-Q868 HydrophobicContact CE2-CG 4.21Å; Y676-Q868 HydrophobicContact CG-CB 3.51Å |
| 677 | H | 73.6 | Confident | 66.9 | Low | 76 Ų | 76 | 60.4 Ų | 60.4 | 35% | 0.352 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -60.3 | -37.9 | 178.4 | -177.4 | -83.4 | 0 | 0 | 0 | 112.9 | F673 Q674 V679 F681 L704 | F673-H677 PolarHBondContact O-N 3.07Å; Q674-H677 PolarHBondContact O-N 3Å; H677-V679 VanDerWaalsContact C-N 3.26Å; H677-V679 PolarHBondContact O-N 3.49Å; H677-F681 AromaticContact CD2-CD2 3.43Å; H677-F681 VanDerWaalsContact CD2-CD2 3.43Å; H677-F681 WeakPolarHBondContact CD2-CD2 3.44Å; H677-F681 AromaticContact CD2-CE2 3.77Å; H677-F681 AromaticContact CG-CD2 3.9Å; H677-F681 AromaticContact NE2-CD2 3.63Å; H677-F681 PolarHBondContact O-N 3.21Å; H677-L704 HydrophobicContact CB-CD1 3.84Å; H677-L704 HydrophobicContact CB-CD2 4.37Å; H677-L704 WeakPolarHBondContact CD2-CD2 3.3Å |
| 678 | Q | 71.4 | Confident | 63.8 | Low | 109 Ų | 109 | 65.9 Ų | 65.9 | 51% | 0.509 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -61.9 | -31.6 | 173.3 | -76.7 | 171.6 | -3.7 | 0 | 0 | 113.2 | Q674 Y676 | Q674-Q678 HydrophobicContact CG-CG 4.49Å; Q674-Q678 WeakPolarHBondContact O-CB 3.26Å; Q674-Q678 VanDerWaalsContact O-CG 3.24Å; Q674-Q678 WeakPolarHBondContact O-CG 3.35Å; Q674-Q678 PolarHBondContact O-N 2.87Å; Y676-Q678 VanDerWaalsContact C-N 3.31Å; Y676-Q678 PolarHBondContact O-N 3.1Å |
| 679 | V | 62.9 | Low | 60.7 | Low | 37 Ų | 37 | 68.1 Ų | 68.1 | 22% | 0.224 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -84.3 | -40.1 | 179.7 | 167.6 | 0 | 0 | 0 | 0 | 111.8 | T675 Y676 H677 M866 E889 | T675-V679 WeakPolarHBondContact O-CG2 3.48Å; Y676-V679 WeakPolarHBondContact O-CA 3.47Å; Y676-V679 PolarHBondContact O-N 2.79Å; H677-V679 VanDerWaalsContact C-N 3.26Å; H677-V679 PolarHBondContact O-N 3.49Å; V679-M866 HydrophobicContact CB-CE 4.25Å; V679-M866 HydrophobicContact CG1-CE 4.06Å; V679-M866 HydrophobicContact CG2-CE 4.05Å; V679-E889 HydrophobicContact CG1-CG 3.79Å; V679-E889 HydrophobicContact CG2-CG 4.33Å |
| 680 | E | 52.3 | Low | 57.7 | Low | 52 Ų | 52 | 75.8 Ų | 75.8 | 24% | 0.243 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -70.5 | -46.6 | 178.6 | -79.5 | -124.9 | 91.9 | 0 | 0 | 113.2 | Y676 G682 K892 | Y676-E680 HydrophobicContact CD1-CG 4.4Å; Y676-E680 HydrophobicContact CD2-CG 4.19Å; Y676-E680 HydrophobicContact CE1-CG 3.94Å; Y676-E680 VanDerWaalsContact CE1-OE2 3.32Å; Y676-E680 WeakPolarHBondContact CE1-OE2 3.41Å; Y676-E680 HydrophobicContact CE2-CG 3.77Å; Y676-E680 VanDerWaalsContact CZ-CD 3.49Å; Y676-E680 PolarHBondContact O-N 2.85Å; Y676-E680 PolarHBondContact OH-OE2 2.95Å; E680-G682 VanDerWaalsContact C-N 3.34Å; E680-K892 IonicContact OE1-NZ 2.81Å; E680-K892 PolarHBondContact OE1-NZ 3.36Å |
| 681 | F | 53.8 | Low | 54.8 | Low | 128 Ų | 128 | 80.4 Ų | 80.4 | 56% | 0.561 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98 | 19.2 | -172.9 | -61 | -83.6 | 0 | 0 | 0 | 113.2 | H677 G683 | H677-F681 AromaticContact CD2-CD2 3.43Å; H677-F681 VanDerWaalsContact CD2-CD2 3.43Å; H677-F681 WeakPolarHBondContact CD2-CD2 3.44Å; H677-F681 AromaticContact CD2-CE2 3.77Å; H677-F681 AromaticContact CG-CD2 3.9Å; H677-F681 AromaticContact NE2-CD2 3.63Å; H677-F681 PolarHBondContact O-N 3.21Å; F681-G683 PolarHBondContact O-N 3.41Å |
| 682 | G | 44 | Very low | 52.1 | Low | 55 Ų | 55 | 85 Ų | 85 | 57% | 0.567 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.2 | 42.1 | 151.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | E680 F684 | E680-G682 VanDerWaalsContact C-N 3.34Å; G682-F684 PolarHBondContact O-N 3.4Å; G682-F684 VanDerWaalsContact O-N 3.07Å |
| 683 | G | 42 | Very low | 49.6 | Very low | 64 Ų | 64 | 92.6 Ų | 92.6 | 66% | 0.66 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.4 | 13.2 | 167.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | F681 T685 | F681-G683 PolarHBondContact O-N 3.41Å; G683-T685 VanDerWaalsContact C-N 3.26Å; G683-T685 PolarHBondContact O-N 2.9Å |
| 684 | F | 32.1 | Very low | 47 | Very low | 189 Ų | 189 | 101 Ų | 101 | 83% | 0.829 | 58% | 0.584 | S | S | * | * | trans | -67.4 | 87 | 168.8 | -91.4 | -85.2 | 0 | 0 | 0 | 110.5 | G682 Q686 | G682-F684 PolarHBondContact O-N 3.4Å; G682-F684 VanDerWaalsContact O-N 3.07Å; F684-Q686 VanDerWaalsContact C-N 3.26Å; F684-Q686 PolarHBondContact O-N 3.48Å | ||
| 685 | T | 31.1 | Very low | 44.6 | Very low | 116 Ų | 116 | 103.2 Ų | 103.2 | 71% | 0.712 | 61% | 0.608 | S | S | * | * | trans | -56.2 | 101.1 | 143.2 | 47.7 | 0 | 0 | 0 | 0 | 106.9 | G683 N687 | G683-T685 VanDerWaalsContact C-N 3.26Å; G683-T685 PolarHBondContact O-N 2.9Å; T685-N687 VanDerWaalsContact C-N 3.32Å; T685-N687 PolarHBondContact O-N 2.76Å | ||
| 686 | Q | 32.7 | Very low | 42.7 | Very low | 178 Ų | 178 | 107.7 Ų | 107.7 | 83% | 0.832 | 64% | 0.637 | S | S | * | * | trans | -55.7 | 108.5 | 152.2 | -76.1 | -174.5 | -9.9 | 0 | 0 | 105.9 | F684 C688 | F684-Q686 VanDerWaalsContact C-N 3.26Å; F684-Q686 PolarHBondContact O-N 3.48Å; Q686-C688 PolarHBondContact O-N 3.07Å | ||
| 687 | N | 28.8 | Very low | 41.3 | Very low | 152 Ų | 152 | 114.1 Ų | 114.1 | 81% | 0.813 | 67% | 0.669 | S | S | * | * | trans | -61.2 | 93.5 | 156.1 | -91.4 | -8.7 | 0 | 0 | 0 | 105.5 | T685 G689 | T685-N687 VanDerWaalsContact C-N 3.32Å; T685-N687 PolarHBondContact O-N 2.76Å; N687-G689 PolarHBondContact O-N 3.43Å | ||
| 688 | C | 29.2 | Very low | 40.8 | Very low | 115 Ų | 115 | 116.6 Ų | 116.6 | 78% | 0.777 | 68% | 0.678 | S | S | * | * | trans | -62.8 | 90 | 158.8 | -166.9 | 0 | 0 | 0 | 0 | 105.1 | Q686 | Q686-C688 PolarHBondContact O-N 3.07Š| ||
| 689 | G | 25.7 | Very low | 41.2 | Very low | 56 Ų | 56 | 116.8 Ų | 116.8 | 58% | 0.577 | 68% | 0.679 | S | S | * | * | trans | -57 | 140.3 | -173 | 0 | 0 | 0 | 0 | 0 | 109.7 | N687 A691 | N687-G689 PolarHBondContact O-N 3.43Å; G689-A691 PolarHBondContact O-N 3.39Å | ||
| 690 | N | 31.3 | Very low | 42.3 | Very low | 162 Ų | 162 | 120.2 Ų | 120.2 | 87% | 0.866 | 69% | 0.688 | S | S | * | * | trans | -34.7 | 99.8 | -171.8 | -65.6 | -14.3 | 0 | 0 | 0 | 112.8 | S692 | N690-S692 PolarHBondContact O-N 3.09Š| ||
| 691 | A | 29.9 | Very low | 44.1 | Very low | 97 Ų | 97 | 119.6 Ų | 119.6 | 80% | 0.802 | 69% | 0.688 | S | S | * | * | trans | -75.9 | 79.6 | 179 | 0 | 0 | 0 | 0 | 0 | 109.3 | G689 D693 | G689-A691 PolarHBondContact O-N 3.39Å; A691-D693 PolarHBondContact O-N 2.96Å | ||
| 692 | S | 32.3 | Very low | 45.7 | Very low | 101 Ų | 101 | 119.6 Ų | 119.6 | 71% | 0.706 | 69% | 0.688 | S | S | * | * | trans | -62.7 | 124.6 | 172 | 53.6 | 0 | 0 | 0 | 0 | 110.6 | N690 | N690-S692 PolarHBondContact O-N 3.09Š| ||
| 693 | D | 38.5 | Very low | 47.9 | Very low | 160 Ų | 160 | 118.2 Ų | 118.2 | 86% | 0.856 | 67% | 0.669 | S | S | * | * | S | Bend | trans | 26.6 | 91.6 | 164.8 | -70.5 | -45.5 | 0 | 0 | 0 | 117.6 | A691 | A691-D693 PolarHBondContact O-N 2.96Š|
| 694 | L | 34.6 | Very low | 50.1 | Low | 177 Ų | 177 | 116.6 Ų | 116.6 | 93% | 0.927 | 65% | 0.645 | S | S | * | * | trans | -152.6 | 151.8 | 151.3 | -104.7 | 162 | 0 | 0 | 0 | 110 | ||||
| 695 | A | 33.3 | Very low | 52.7 | Low | 74 Ų | 74 | 108 Ų | 108 | 61% | 0.612 | 61% | 0.608 | S | S | * | * | trans | -52.1 | 155.4 | -163 | 0 | 0 | 0 | 0 | 0 | 116.7 | Q697 | A695-Q697 PolarHBondContact O-N 3.04Š| ||
| 696 | P | 40.7 | Very low | 55.2 | Low | 121 Ų | 121 | 105.3 Ų | 105.3 | 79% | 0.786 | 59% | 0.592 | S | S | * | * | trans | -68 | 88.4 | -173.3 | 28.7 | -37.1 | 0 | 0 | 0 | 113.4 | ||||
| 697 | Q | 48 | Very low | 57.5 | Low | 178 Ų | 178 | 97.8 Ų | 97.8 | 83% | 0.832 | 56% | 0.557 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 139.9 | 166.7 | -63.6 | -172.3 | -0.4 | 0 | 0 | 110.1 | A695 Q699 | A695-Q697 PolarHBondContact O-N 3.04Å; Q697-Q699 PolarHBondContact O-N 3.11Å |
| 698 | K | 63.3 | Low | 59.9 | Low | 127 Ų | 127 | 95.1 Ų | 95.1 | 55% | 0.552 | 54% | 0.541 | S | S | * | . | P | Polyproline II helix | trans | -61.9 | 118.5 | -178.4 | -61.5 | -174.1 | -176.8 | -175.7 | 0 | 110.1 | R700 I733 A756 | K698-R700 PolarHBondContact O-N 2.98Å; K698-I733 HydrophobicContact CB-CG2 4.21Å; K698-I733 HydrophobicContact CD-CG2 4.32Å; K698-A756 PolarHBondContact NZ-O 2.9Å |
| 699 | Q | 79.1 | Confident | 62.3 | Low | 114 Ų | 114 | 89.8 Ų | 89.8 | 53% | 0.533 | 51% | 0.505 | S | S | . | . | P | Polyproline II helix | trans | -59.8 | 125.6 | -179.5 | -66.6 | -175.2 | -35.2 | 0 | 0 | 110.7 | Q697 L734 | Q697-Q699 PolarHBondContact O-N 3.11Å; Q699-L734 HydrophobicContact CB-CD1 4.08Å; Q699-L734 WeakPolarHBondContact O-CB 3.42Å; Q699-L734 PolarHBondContact O-N 2.88Å |
| 700 | R | 86.1 | Confident | 65 | Low | 108 Ų | 108 | 87.2 Ų | 87.2 | 41% | 0.408 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 139.5 | 172.9 | -80.1 | 177.3 | 162 | -162.9 | 8.8 | 109.2 | K698 E727 D729 T731 S732 I733 | K698-R700 PolarHBondContact O-N 2.98Å; R700-E727 VanDerWaalsContact CZ-CD 3.48Å; R700-E727 IonicContact CZ-OE1 3.34Å; R700-E727 IonicContact CZ-OE2 2.84Å; R700-E727 IonicContact NE-OE1 3.07Å; R700-E727 IonicContact NH2-OE1 2.68Å; R700-E727 PolarHBondContact NH2-OE1 2.95Å; R700-E727 IonicContact NH2-OE2 3.19Å; R700-E727 PolarHBondContact NH2-OE2 3.19Å; R700-D729 IonicContact NH1-OD1 3.99Å; R700-D729 IonicContact NH1-OD2 2.9Å; R700-D729 PolarHBondContact NH1-OD2 3.08Å; R700-T731 WeakPolarHBondContact CD-OG1 3.39Å; R700-S732 WeakPolarHBondContact CA-O 3.49Å; R700-I733 HydrophobicContact CG-CG1 4.12Å |
| 701 | T | 89.6 | Confident | 66.8 | Low | 40 Ų | 40 | 81 Ų | 81 | 25% | 0.245 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 162.8 | 167.3 | 56 | 0 | 0 | 0 | 0 | 109.8 | P665 S732 L734 H745 | P665-T701 PolarHBondContact O-OG1 3.22Å; T701-S732 PolarHBondContact N-O 3.46Å; T701-S732 PolarHBondContact O-N 2.99Å; T701-L734 HydrophobicContact CG2-CD1 4.21Å; T701-H745 PolarHBondContact O-NE2 3.31Å; T701-H745 PolarHBondContact OG1-NE2 3.46Å |
| 702 | K | 87.9 | Confident | 68.1 | Low | 127 Ų | 127 | 77.4 Ų | 77.4 | 55% | 0.552 | 42% | 0.415 | S | S | * | . | trans | -73.9 | 130.6 | 174.4 | -61.5 | -157.2 | 173.2 | -160.5 | 0 | 110.5 | D729 G730 T731 | K702-D729 WeakPolarHBondContact CE-O 3.5Å; K702-D729 PolarHBondContact NZ-O 3.42Å; K702-G730 WeakPolarHBondContact CG-O 3.39Å; K702-T731 HydrophobicContact CG-CG2 3.9Å | ||
| 703 | P | 89.6 | Confident | 68.8 | Low | 27 Ų | 27 | 75 Ų | 75 | 18% | 0.175 | 40% | 0.396 | C | S | . | . | trans | -61.2 | 142.2 | 170.3 | -24.9 | 36.1 | 0 | 0 | 0 | 112.2 | L726 H745 | P703-L726 HydrophobicContact CG-CD1 3.76Å; P703-H745 HydrophobicContact CG-CB 4.39Å | ||
| 704 | L | 88.1 | Confident | 69.1 | Low | 30 Ų | 30 | 70.5 Ų | 70.5 | 16% | 0.157 | 39% | 0.388 | C | S | . | . | S | Bend | trans | -87 | -10.8 | 171.7 | -59.3 | -172 | 0 | 0 | 0 | 113.2 | P665 C670 F673 H677 P706 | P665-L704 HydrophobicContact CB-CD1 4.05Å; P665-L704 HydrophobicContact CB-CG 3.9Å; P665-L704 HydrophobicContact CG-CD1 3.63Å; P665-L704 HydrophobicContact CG-CG 3.81Å; C670-L704 HydrophobicContact CB-CB 4.04Å; C670-L704 HydrophobicContact CB-CG 4.37Å; C670-L704 PolarHBondContact SG-N 2.91Å; C670-L704 VanDerWaalsContact SG-N 3.4Å; F673-L704 HydrophobicContact CB-CB 4.26Å; F673-L704 VanDerWaalsContact CD2-O 3.28Å; F673-L704 WeakPolarHBondContact CD2-O 3.22Å; H677-L704 HydrophobicContact CB-CD1 3.84Å; H677-L704 HydrophobicContact CB-CD2 4.37Å; H677-L704 WeakPolarHBondContact CD2-CD2 3.3Å; L704-P706 WeakPolarHBondContact O-CD 3.3Å |
| 705 | I | 86.8 | Confident | 68.9 | Low | 9 Ų | 9 | 67 Ų | 67 | 5% | 0.046 | 38% | 0.376 | C | S | . | . | S | Bend | trans | -98.4 | 113.7 | -179.7 | -59.9 | 167.5 | 0 | 0 | 0 | 108.6 | V669 C670 I672 F673 C709 F710 | V669-I705 HydrophobicContact CB-CD1 3.9Å; V669-I705 HydrophobicContact CG1-CD1 3.46Å; V669-I705 VanDerWaalsContact CG1-CD1 3.46Å; C670-I705 HydrophobicContact CB-CD1 4.47Å; C670-I705 HydrophobicContact CB-CG1 4.47Å; I672-I705 HydrophobicContact CD1-CD1 4.19Å; I672-I705 HydrophobicContact CD1-CG1 4.46Å; I672-I705 HydrophobicContact CG1-CD1 4.44Å; F673-I705 HydrophobicContact CD2-CB 4.34Å; F673-I705 HydrophobicContact CD2-CG1 3.63Å; F673-I705 HydrophobicContact CE2-CB 4.08Å; F673-I705 HydrophobicContact CE2-CG1 3.63Å; F673-I705 HydrophobicContact CE2-CG2 4.12Å; I705-C709 HydrophobicContact CG2-CB 3.6Å; I705-F710 HydrophobicContact CB-CE2 4.15Å; I705-F710 HydrophobicContact CB-CZ 4.2Å; I705-F710 HydrophobicContact CD1-CZ 4.29Å; I705-F710 HydrophobicContact CG2-CD2 4.16Å; I705-F710 HydrophobicContact CG2-CE1 4.44Å; I705-F710 HydrophobicContact CG2-CE2 3.4Å; I705-F710 VanDerWaalsContact CG2-CE2 3.4Å; I705-F710 HydrophobicContact CG2-CZ 3.58Å |
| 706 | P | 84.1 | Confident | 68.9 | Low | 59 Ų | 59 | 67.4 Ų | 67.4 | 38% | 0.383 | 38% | 0.375 | S | S | . | . | trans | -61.1 | 149.7 | 170.4 | -22.6 | 34.2 | 0 | 0 | 0 | 111.9 | L704 M708 C709 P869 | L704-P706 WeakPolarHBondContact O-CD 3.3Å; P706-M708 PolarHBondContact O-N 3.1Å; P706-M708 VanDerWaalsContact O-N 3.1Å; P706-C709 WeakPolarHBondContact O-CB 3.32Å; P706-C709 PolarHBondContact O-N 3.48Å; P706-P869 HydrophobicContact CG-CB 3.97Å; P706-P869 HydrophobicContact CG-CG 4.06Å | ||
| 707 | E | 81.8 | Confident | 68.7 | Low | 20 Ų | 20 | 68.3 Ų | 68.3 | 9% | 0.093 | 38% | 0.378 | C | S | . | . | G | 310 helix | trans | -53.6 | -35.9 | 177.8 | -173.6 | 56.1 | -150.1 | 0 | 0 | 112.3 | C709 F710 T711 T723 P724 I809 R812 | E707-C709 PolarHBondContact O-N 3.41Å; E707-C709 VanDerWaalsContact O-N 3.1Å; E707-F710 WeakPolarHBondContact O-CB 3.08Å; E707-F710 PolarHBondContact O-N 3.45Å; E707-T711 HydrophobicContact CG-CG2 4.33Å; E707-T711 PolarHBondContact O-N 3.27Å; E707-T723 HydrophobicContact CB-CG2 4.15Å; E707-T723 HydrophobicContact CG-CG2 4.49Å; E707-T723 WeakPolarHBondContact OE2-CG2 3.49Å; E707-P724 VanDerWaalsContact CD-CD 3.49Å; E707-P724 WeakPolarHBondContact OE1-CD 3.46Å; E707-P724 WeakPolarHBondContact OE2-CD 3.19Å; E707-I809 WeakPolarHBondContact OE1-CG2 3.34Å; E707-R812 IonicContact OE1-CZ 3.21Å; E707-R812 IonicContact OE1-NH1 2.73Å; E707-R812 PolarHBondContact OE1-NH1 3.01Å; E707-R812 IonicContact OE1-NH2 3.96Å; E707-R812 PolarHBondContact OE1-NH2 3.08Å; E707-R812 IonicContact OE2-CZ 2.77Å; E707-R812 IonicContact OE2-NH1 2.7Å; E707-R812 PolarHBondContact OE2-NH1 2.75Å; E707-R812 IonicContact OE2-NH2 3.42Å; E707-R812 PolarHBondContact OE2-NH2 3.18Å |
| 708 | M | 77.9 | Confident | 68.3 | Low | 95 Ų | 95 | 66.5 Ų | 66.5 | 47% | 0.468 | 38% | 0.375 | S | S | . | . | G | 310 helix | trans | -62.8 | -17.1 | -178.4 | -161.4 | 149.8 | 61.9 | 0 | 0 | 114.2 | P706 F710 T711 | P706-M708 PolarHBondContact O-N 3.1Å; P706-M708 VanDerWaalsContact O-N 3.1Å; M708-F710 VanDerWaalsContact C-N 3.29Å; M708-T711 WeakPolarHBondContact CA-OG1 3.49Å; M708-T711 PolarHBondContact O-OG1 3.21Å |
| 709 | C | 81.1 | Confident | 67.1 | Low | 4 Ų | 4 | 64.2 Ų | 64.2 | 3% | 0.027 | 37% | 0.368 | C | S | . | . | G | 310 helix | trans | -76.8 | -12.1 | 171.2 | -63.8 | 0 | 0 | 0 | 0 | 113.6 | I705 P706 E707 V799 V875 | I705-C709 HydrophobicContact CG2-CB 3.6Å; P706-C709 WeakPolarHBondContact O-CB 3.32Å; P706-C709 PolarHBondContact O-N 3.48Å; E707-C709 PolarHBondContact O-N 3.41Å; E707-C709 VanDerWaalsContact O-N 3.1Å; C709-V799 HydrophobicContact CB-CG1 3.93Å; C709-V875 PolarHBondContact SG-O 3.26Å |
| 710 | F | 82.1 | Confident | 65.2 | Low | 2 Ų | 2 | 65.7 Ų | 65.7 | 1% | 0.009 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.7 | -21.5 | 174.7 | -56.4 | -79.1 | 0 | 0 | 0 | 112.8 | I705 E707 M708 S712 C748 V795 V799 F806 I809 R812 | I705-F710 HydrophobicContact CB-CE2 4.15Å; I705-F710 HydrophobicContact CB-CZ 4.2Å; I705-F710 HydrophobicContact CD1-CZ 4.29Å; I705-F710 HydrophobicContact CG2-CD2 4.16Å; I705-F710 HydrophobicContact CG2-CE1 4.44Å; I705-F710 HydrophobicContact CG2-CE2 3.4Å; I705-F710 VanDerWaalsContact CG2-CE2 3.4Å; I705-F710 HydrophobicContact CG2-CZ 3.58Å; E707-F710 WeakPolarHBondContact O-CB 3.08Å; E707-F710 PolarHBondContact O-N 3.45Å; M708-F710 VanDerWaalsContact C-N 3.29Å; F710-S712 PolarHBondContact O-N 3.22Å; F710-C748 HydrophobicContact CZ-CB 4.18Å; F710-V795 HydrophobicContact CE1-CG1 4Å; F710-V799 HydrophobicContact CD1-CG2 3.78Å; F710-V799 HydrophobicContact CE1-CG2 3.64Å; F710-V799 HydrophobicContact CZ-CG2 4.43Å; F710-F806 HydrophobicContact CB-CD2 4.14Å; F710-F806 HydrophobicContact CB-CE2 4.38Å; F710-F806 HydrophobicContact CD1-CD2 4.11Å; F710-F806 AromaticContact CD1-CE2 3.62Å; F710-F806 HydrophobicContact CD1-CE2 3.62Å; F710-F806 AromaticContact CD1-CZ 3.97Å; F710-F806 HydrophobicContact CD1-CZ 3.97Å; F710-F806 HydrophobicContact CE1-CE2 4.49Å; F710-F806 HydrophobicContact CE1-CZ 4.46Å; F710-F806 HydrophobicContact CG-CE2 4.46Å; F710-I809 HydrophobicContact CB-CG2 4.44Å; F710-R812 VanDerWaalsContact CB-NH1 3.28Å; F710-R812 VanDerWaalsContact CD2-CZ 3.47Å |
| 711 | T | 69.3 | Low | 63.4 | Low | 30 Ų | 30 | 66.5 Ų | 66.5 | 18% | 0.184 | 39% | 0.391 | C | S | . | . | trans | -81.3 | 39.4 | -176.5 | 63.1 | 0 | 0 | 0 | 0 | 113.6 | E707 M708 T713 I809 | E707-T711 HydrophobicContact CG-CG2 4.33Å; E707-T711 PolarHBondContact O-N 3.27Å; M708-T711 WeakPolarHBondContact CA-OG1 3.49Å; M708-T711 PolarHBondContact O-OG1 3.21Å; T711-T713 PolarHBondContact O-N 2.93Å; T711-T713 PolarHBondContact O-OG1 2.91Å; T711-I809 HydrophobicContact CG2-CD1 4.36Å; T711-I809 HydrophobicContact CG2-CG2 4.2Å | ||
| 712 | S | 56 | Low | 61.6 | Low | 23 Ų | 23 | 69 Ų | 69 | 16% | 0.161 | 41% | 0.41 | C | S | . | . | trans | -66.5 | 10.6 | -177.4 | -48 | 0 | 0 | 0 | 0 | 114.9 | F710 G714 R805 | F710-S712 PolarHBondContact O-N 3.22Å; S712-G714 PolarHBondContact O-N 2.89Å; S712-R805 WeakPolarHBondContact O-CD 3.23Å; S712-R805 PolarHBondContact O-NE 3.48Å | ||
| 713 | T | 46.6 | Very low | 60.3 | Low | 49 Ų | 49 | 64.9 Ų | 64.9 | 30% | 0.301 | 40% | 0.396 | S | S | . | . | trans | -73.5 | 95 | 172.6 | 41.3 | 0 | 0 | 0 | 0 | 111.3 | T711 C715 I809 | T711-T713 PolarHBondContact O-N 2.93Å; T711-T713 PolarHBondContact O-OG1 2.91Å; T713-C715 PolarHBondContact O-N 3.43Å; T713-I809 HydrophobicContact CG2-CD1 4.21Å | ||
| 714 | G | 45.6 | Very low | 59.1 | Low | 67 Ų | 67 | 64.8 Ų | 64.8 | 69% | 0.691 | 40% | 0.395 | S | S | * | . | trans | -70.7 | 66.1 | 167.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | S712 | S712-G714 PolarHBondContact O-N 2.89Š| ||
| 715 | C | 30.9 | Very low | 58.5 | Low | 102 Ų | 102 | 66.7 Ų | 66.7 | 69% | 0.689 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -159.7 | 131.8 | 173.2 | -168.3 | 0 | 0 | 0 | 0 | 111.2 | T713 | T713-C715 PolarHBondContact O-N 3.43Š|
| 716 | S | 32.9 | Very low | 58.2 | Low | 84 Ų | 84 | 69.1 Ų | 69.1 | 59% | 0.587 | 41% | 0.413 | S | S | * | . | trans | 61 | 150.1 | -176.8 | -151.3 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 717 | T | 36.8 | Very low | 58 | Low | 139 Ų | 139 | 69.1 Ų | 69.1 | 85% | 0.853 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -99.2 | -4.2 | 175 | 37.9 | 0 | 0 | 0 | 0 | 112.8 | I719 | T717-I719 PolarHBondContact O-N 2.96Š|
| 718 | D | 38.3 | Very low | 57.4 | Low | 141 Ų | 141 | 78.2 Ų | 78.2 | 75% | 0.754 | 45% | 0.45 | S | S | * | . | trans | -91.8 | 71.2 | -178.6 | -56.2 | -46.4 | 0 | 0 | 0 | 111.6 | ||||
| 719 | I | 38.6 | Very low | 57.3 | Low | 79 Ų | 79 | 77.3 Ų | 77.3 | 41% | 0.405 | 45% | 0.448 | S | S | . | . | trans | -121.6 | 111.5 | 166.7 | -59.1 | -179.1 | 0 | 0 | 0 | 108.2 | T717 L721 I809 | T717-I719 PolarHBondContact O-N 2.96Å; I719-L721 PolarHBondContact O-N 2.86Å; I719-I809 HydrophobicContact CD1-CD1 4.47Å | ||
| 720 | N | 40.1 | Very low | 57.1 | Low | 144 Ų | 144 | 78.1 Ų | 78.1 | 77% | 0.77 | 46% | 0.457 | S | S | * | . | trans | -58.8 | 124.3 | 166.5 | -82.1 | -74.5 | 0 | 0 | 0 | 108.7 | S722 | N720-S722 PolarHBondContact O-N 3.4Š| ||
| 721 | L | 47 | Very low | 57.3 | Low | 126 Ų | 126 | 78.9 Ų | 78.9 | 66% | 0.66 | 46% | 0.461 | S | S | * | . | trans | -75 | 35.5 | -178.7 | -66.8 | 172 | 0 | 0 | 0 | 113.2 | I719 T723 | I719-L721 PolarHBondContact O-N 2.86Å; L721-T723 PolarHBondContact O-N 2.91Å | ||
| 722 | S | 51.9 | Low | 58.3 | Low | 91 Ų | 91 | 77.5 Ų | 77.5 | 64% | 0.636 | 45% | 0.453 | S | S | * | . | trans | -73.2 | 87 | 173.1 | 56.9 | 0 | 0 | 0 | 0 | 109.8 | N720 P724 | N720-S722 PolarHBondContact O-N 3.4Å; S722-P724 WeakPolarHBondContact O-CD 3.33Å; S722-P724 WeakPolarHBondContact O-CG 3.44Å | ||
| 723 | T | 60.3 | Low | 60 | Low | 42 Ų | 42 | 77.3 Ų | 77.3 | 26% | 0.258 | 45% | 0.45 | S | S | . | . | trans | -47.8 | 106.9 | 174.3 | -53.2 | 0 | 0 | 0 | 0 | 110.3 | E707 L721 Y725 L726 | E707-T723 HydrophobicContact CB-CG2 4.15Å; E707-T723 HydrophobicContact CG-CG2 4.49Å; E707-T723 WeakPolarHBondContact OE2-CG2 3.49Å; L721-T723 PolarHBondContact O-N 2.91Å; T723-Y725 PolarHBondContact O-N 3.49Å; T723-L726 HydrophobicContact CG2-CB 3.66Å; T723-L726 HydrophobicContact CG2-CD1 4.19Å; T723-L726 HydrophobicContact CG2-CD2 3.98Å; T723-L726 HydrophobicContact CG2-CG 4.17Å; T723-L726 WeakPolarHBondContact O-CB 3.45Å; T723-L726 PolarHBondContact O-N 2.84Å; T723-L726 VanDerWaalsContact O-N 3.15Å | ||
| 724 | P | 65.3 | Low | 62.1 | Low | 25 Ų | 25 | 75.8 Ų | 75.8 | 16% | 0.162 | 44% | 0.44 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | 128.3 | -169.1 | -25.6 | 37.4 | 0 | 0 | 0 | 111.4 | E707 S722 L726 S747 A810 | E707-P724 VanDerWaalsContact CD-CD 3.49Å; E707-P724 WeakPolarHBondContact OE1-CD 3.46Å; E707-P724 WeakPolarHBondContact OE2-CD 3.19Å; S722-P724 WeakPolarHBondContact O-CD 3.33Å; S722-P724 WeakPolarHBondContact O-CG 3.44Å; P724-L726 PolarHBondContact O-N 2.75Å; P724-S747 VanDerWaalsContact O-CA 3.3Å; P724-S747 WeakPolarHBondContact O-CA 3.22Å; P724-S747 WeakPolarHBondContact O-CB 3.42Å; P724-A810 HydrophobicContact CB-CB 4.01Å; P724-A810 HydrophobicContact CG-CB 3.91Å |
| 725 | Y | 75.6 | Confident | 64.3 | Low | 70 Ų | 70 | 72.9 Ų | 72.9 | 28% | 0.275 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63 | 25.9 | -179.6 | -33.4 | -53 | 0 | 0 | 0 | 114.1 | T723 S732 V751 P752 P753 A810 | T723-Y725 PolarHBondContact O-N 3.49Å; Y725-S732 PolarHBondContact O-OG 3.43Å; Y725-V751 VanDerWaalsContact CD2-O 3.3Å; Y725-V751 WeakPolarHBondContact CD2-O 3.24Å; Y725-P752 HydrophobicContact CE1-CB 4.06Å; Y725-P752 HydrophobicContact CE1-CG 4.29Å; Y725-P752 HydrophobicContact CE2-CG 4.33Å; Y725-P753 VanDerWaalsContact CD1-CD 3.42Å; Y725-P753 HydrophobicContact CD1-CG 4.37Å; Y725-A810 WeakPolarHBondContact CE2-O 3.47Å |
| 726 | L | 80.4 | Confident | 67.3 | Low | 60 Ų | 60 | 70 Ų | 70 | 31% | 0.314 | 39% | 0.39 | S | S | . | . | trans | -86.3 | 149.6 | 155.9 | -155 | 77.8 | 0 | 0 | 0 | 109.5 | P703 T723 P724 T731 | P703-L726 HydrophobicContact CG-CD1 3.76Å; T723-L726 HydrophobicContact CG2-CB 3.66Å; T723-L726 HydrophobicContact CG2-CD1 4.19Å; T723-L726 HydrophobicContact CG2-CD2 3.98Å; T723-L726 HydrophobicContact CG2-CG 4.17Å; T723-L726 WeakPolarHBondContact O-CB 3.45Å; T723-L726 PolarHBondContact O-N 2.84Å; T723-L726 VanDerWaalsContact O-N 3.15Å; P724-L726 PolarHBondContact O-N 2.75Å; L726-T731 WeakPolarHBondContact CD1-O 3.2Å | ||
| 727 | E | 78.8 | Confident | 70.2 | Confident | 58 Ų | 58 | 66.1 Ų | 66.1 | 27% | 0.271 | 36% | 0.363 | S | S | . | . | trans | -95.9 | 162.3 | 178.5 | -55 | -86.8 | -164.9 | 0 | 0 | 109.7 | R700 D729 G730 T731 | R700-E727 VanDerWaalsContact CZ-CD 3.48Å; R700-E727 IonicContact CZ-OE1 3.34Å; R700-E727 IonicContact CZ-OE2 2.84Å; R700-E727 IonicContact NE-OE1 3.07Å; R700-E727 IonicContact NH2-OE1 2.68Å; R700-E727 PolarHBondContact NH2-OE1 2.95Å; R700-E727 IonicContact NH2-OE2 3.19Å; R700-E727 PolarHBondContact NH2-OE2 3.19Å; E727-D729 WeakPolarHBondContact CB-OD1 3.39Å; E727-D729 PolarHBondContact O-N 2.93Å; E727-D729 VanDerWaalsContact O-N 3.15Å; E727-G730 WeakPolarHBondContact O-CA 3.38Å; E727-G730 PolarHBondContact O-N 2.83Å; E727-T731 WeakPolarHBondContact CG-O 3.28Å; E727-T731 PolarHBondContact N-O 3.16Å | ||
| 728 | E | 70.7 | Confident | 72.9 | Confident | 211 Ų | 211 | 66.3 Ų | 66.3 | 99% | 0.986 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -25.8 | -178.1 | -64.4 | 177.9 | 172.4 | 0 | 0 | 113.3 | G730 | E728-G730 PolarHBondContact O-N 2.59Š|
| 729 | D | 74.3 | Confident | 75.5 | Confident | 76 Ų | 76 | 63.1 Ų | 63.1 | 41% | 0.406 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -2.3 | 174.3 | 63.9 | 15.4 | 0 | 0 | 0 | 114 | R700 K702 E727 T731 | R700-D729 IonicContact NH1-OD1 3.99Å; R700-D729 IonicContact NH1-OD2 2.9Å; R700-D729 PolarHBondContact NH1-OD2 3.08Å; K702-D729 WeakPolarHBondContact CE-O 3.5Å; K702-D729 PolarHBondContact NZ-O 3.42Å; E727-D729 WeakPolarHBondContact CB-OD1 3.39Å; E727-D729 PolarHBondContact O-N 2.93Å; E727-D729 VanDerWaalsContact O-N 3.15Å; D729-T731 VanDerWaalsContact C-N 3.34Å; D729-T731 VanDerWaalsContact CG-OG1 3.28Å; D729-T731 WeakPolarHBondContact OD1-CA 3.27Å; D729-T731 WeakPolarHBondContact OD1-CB 3.23Å; D729-T731 WeakPolarHBondContact OD1-CG2 3.36Å; D729-T731 PolarHBondContact OD1-N 3.39Å; D729-T731 PolarHBondContact OD1-OG1 2.9Å; D729-T731 PolarHBondContact OD2-OG1 2.86Å |
| 730 | G | 78.1 | Confident | 78 | Confident | 21 Ų | 21 | 59.4 Ų | 59.4 | 22% | 0.216 | 31% | 0.312 | C | S | . | . | S | Bend | trans | 77.1 | 12.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | K702 E727 E728 | K702-G730 WeakPolarHBondContact CG-O 3.39Å; E727-G730 WeakPolarHBondContact O-CA 3.38Å; E727-G730 PolarHBondContact O-N 2.83Å; E728-G730 PolarHBondContact O-N 2.59Å |
| 731 | T | 86.8 | Confident | 80.6 | Confident | 18 Ų | 18 | 53.7 Ų | 53.7 | 11% | 0.11 | 28% | 0.284 | C | S | . | . | trans | -92.2 | 167.1 | 174.3 | 71.2 | 0 | 0 | 0 | 0 | 112.1 | R700 K702 L726 E727 D729 | R700-T731 WeakPolarHBondContact CD-OG1 3.39Å; K702-T731 HydrophobicContact CG-CG2 3.9Å; L726-T731 WeakPolarHBondContact CD1-O 3.2Å; E727-T731 WeakPolarHBondContact CG-O 3.28Å; E727-T731 PolarHBondContact N-O 3.16Å; D729-T731 VanDerWaalsContact C-N 3.34Å; D729-T731 VanDerWaalsContact CG-OG1 3.28Å; D729-T731 WeakPolarHBondContact OD1-CA 3.27Å; D729-T731 WeakPolarHBondContact OD1-CB 3.23Å; D729-T731 WeakPolarHBondContact OD1-CG2 3.36Å; D729-T731 PolarHBondContact OD1-N 3.39Å; D729-T731 PolarHBondContact OD1-OG1 2.9Å; D729-T731 PolarHBondContact OD2-OG1 2.86Å | ||
| 732 | S | 89.6 | Confident | 82.9 | Confident | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.007 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 150.4 | 165.1 | -165.1 | 0 | 0 | 0 | 0 | 110.2 | R700 T701 Y725 S747 | R700-S732 WeakPolarHBondContact CA-O 3.49Å; T701-S732 PolarHBondContact N-O 3.46Å; T701-S732 PolarHBondContact O-N 2.99Å; Y725-S732 PolarHBondContact O-OG 3.43Å; S732-S747 WeakPolarHBondContact CB-OG 3.45Å; S732-S747 PolarHBondContact OG-N 3.22Å; S732-S747 VanDerWaalsContact OG-N 3.15Å; S732-S747 PolarHBondContact OG-OG 3.28Å |
| 733 | I | 90.8 | Very high | 84.9 | Confident | 19 Ų | 19 | 46.4 Ų | 46.4 | 10% | 0.097 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 135 | 176.7 | -59.5 | 174.4 | 0 | 0 | 0 | 109.3 | K698 R700 A746 P753 A756 | K698-I733 HydrophobicContact CB-CG2 4.21Å; K698-I733 HydrophobicContact CD-CG2 4.32Å; R700-I733 HydrophobicContact CG-CG1 4.12Å; I733-A746 PolarHBondContact O-N 2.61Å; I733-P753 HydrophobicContact CD1-CB 4.38Å; I733-A756 HydrophobicContact CG2-CB 4.41Å |
| 734 | L | 91.3 | Very high | 86.5 | Confident | 17 Ų | 17 | 44.4 Ų | 44.4 | 9% | 0.089 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 124 | 170.1 | -67.8 | 166.3 | 0 | 0 | 0 | 110.1 | H666 C667 Q699 T701 R743 V744 | H666-L734 HydrophobicContact CB-CD1 3.75Å; H666-L734 HydrophobicContact CB-CD2 4.32Å; C667-L734 HydrophobicContact CB-CD2 4.21Å; Q699-L734 HydrophobicContact CB-CD1 4.08Å; Q699-L734 WeakPolarHBondContact O-CB 3.42Å; Q699-L734 PolarHBondContact O-N 2.88Å; T701-L734 HydrophobicContact CG2-CD1 4.21Å; L734-R743 HydrophobicContact CB-CG 4.29Å; L734-R743 HydrophobicContact CD2-CG 4.38Å; L734-V744 WeakPolarHBondContact CA-O 3.23Å |
| 735 | V | 92.3 | Very high | 87.8 | Confident | 6 Ų | 6 | 43.2 Ų | 43.2 | 4% | 0.036 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 142 | 171 | -65.5 | 0 | 0 | 0 | 0 | 110.1 | R743 V744 V751 A756 W760 | V735-R743 CarbonylContact O-C 3.5Å; V735-R743 VanDerWaalsContact O-CA 3.27Å; V735-R743 WeakPolarHBondContact O-CA 3.48Å; V735-V744 HydrophobicContact CG2-CG2 3.64Å; V735-V744 PolarHBondContact N-O 3.06Å; V735-V744 PolarHBondContact O-N 3.02Å; V735-V751 HydrophobicContact CG2-CG2 4.3Å; V735-A756 HydrophobicContact CG1-CB 3.44Å; V735-A756 VanDerWaalsContact CG1-CB 3.44Å; V735-W760 HydrophobicContact CB-CD2 4.04Å; V735-W760 HydrophobicContact CB-CE3 3.87Å; V735-W760 HydrophobicContact CB-CG 4.43Å; V735-W760 HydrophobicContact CB-CZ3 4.31Å; V735-W760 HydrophobicContact CG2-CD2 3.94Å; V735-W760 HydrophobicContact CG2-CE3 3.78Å; V735-W760 HydrophobicContact CG2-CH2 3.97Å; V735-W760 HydrophobicContact CG2-CZ2 4.13Å; V735-W760 HydrophobicContact CG2-CZ3 3.79Å |
| 736 | S | 93.5 | Very high | 88.5 | Confident | 42 Ų | 42 | 39.9 Ų | 39.9 | 29% | 0.294 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 130.2 | 178.9 | -53.1 | 0 | 0 | 0 | 0 | 109.5 | K738 V742 R743 | S736-K738 PolarHBondContact O-N 3.3Å; S736-V742 WeakPolarHBondContact CA-O 3.49Å; S736-R743 PolarHBondContact OG-NE 2.8Å |
| 737 | C | 94.3 | Very high | 89 | Confident | 2 Ų | 2 | 37.1 Ų | 37.1 | 1% | 0.014 | 19% | 0.186 | C | C | . | . | trans | -75.6 | 119.1 | -176.8 | 174.1 | 0 | 0 | 0 | 0 | 111.8 | K739 C740 S741 V742 W760 C762 | C737-K739 PolarHBondContact O-N 3.49Å; C737-C740 PolarHBondContact O-N 3.18Å; C737-C740 VanDerWaalsContact SG-SG 3.62Å; C737-S741 VanDerWaalsContact O-CA 3.25Å; C737-S741 WeakPolarHBondContact O-CA 3.48Å; C737-S741 PolarHBondContact O-N 2.9Å; C737-V742 HydrophobicContact CB-CG1 3.8Å; C737-V742 PolarHBondContact N-O 3.09Å; C737-W760 WeakPolarHBondContact CA-O 3.46Å; C737-W760 HydrophobicContact CB-CE3 4.08Å; C737-W760 HydrophobicContact CB-CZ3 3.77Å; C737-C762 HydrophobicContact CB-CB 4.13Å; C737-C762 PolarHBondContact SG-N 3.19Å; C737-C762 VanDerWaalsContact SG-N 3.37Å; C737-C762 VanDerWaalsContact SG-SG 3.67Å | ||
| 738 | K | 93.1 | Very high | 89.6 | Confident | 143 Ų | 143 | 34.4 Ų | 34.4 | 62% | 0.622 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | -25.6 | -178.2 | -171.8 | 169.4 | -175.4 | 176.3 | 0 | 115.7 | S736 D759 W760 | S736-K738 PolarHBondContact O-N 3.3Å; K738-D759 WeakPolarHBondContact CD-OD1 3.03Å; K738-D759 IonicContact NZ-OD1 2.71Å; K738-D759 PolarHBondContact NZ-OD1 2.93Å; K738-W760 PolarHBondContact N-O 3.37Å |
| 739 | K | 92.2 | Very high | 90.6 | Very high | 74 Ų | 74 | 24.6 Ų | 24.6 | 32% | 0.322 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | -34.9 | -174.8 | -169.4 | 172.5 | -176.9 | -180 | 0 | 116 | F650 C737 C765 N768 L770 | F650-K739 VanDerWaalsContact CE1-O 3.29Å; F650-K739 WeakPolarHBondContact CE1-O 3.25Å; F650-K739 HydrophobicContact CZ-CG 4.27Å; F650-K739 VanDerWaalsContact CZ-O 3.26Å; F650-K739 WeakPolarHBondContact CZ-O 3.41Å; C737-K739 PolarHBondContact O-N 3.49Å; K739-C765 HydrophobicContact CB-CB 3.98Å; K739-C765 HydrophobicContact CD-CB 4.07Å; K739-C765 HydrophobicContact CG-CB 4.42Å; K739-N768 PolarHBondContact NZ-OD1 3.06Å; K739-L770 HydrophobicContact CD-CD2 4.2Å |
| 740 | C | 92.6 | Very high | 91.3 | Very high | 2 Ų | 2 | 21.5 Ų | 21.5 | 1% | 0.014 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -125.1 | 8 | -178.1 | 68.5 | 0 | 0 | 0 | 0 | 113.8 | F650 N657 C737 V742 C762 C765 | F650-C740 HydrophobicContact CE2-CB 3.89Å; F650-C740 HydrophobicContact CZ-CB 3.64Å; N657-C740 WeakPolarHBondContact CB-O 3.32Å; N657-C740 PolarHBondContact ND2-O 3.2Å; C737-C740 PolarHBondContact O-N 3.18Å; C737-C740 VanDerWaalsContact SG-SG 3.62Å; C740-V742 PolarHBondContact O-N 2.85Å; C740-C762 VanDerWaalsContact SG-SG 3.67Å; C740-C765 PolarHBondContact SG-SG 3.09Å |
| 741 | S | 94 | Very high | 91.9 | Very high | 24 Ų | 24 | 20.9 Ų | 20.9 | 17% | 0.168 | 11% | 0.105 | C | C | . | . | trans | 57.9 | 6.5 | 177.8 | -54.5 | 0 | 0 | 0 | 0 | 117.1 | E658 C737 R743 | E658-S741 VanDerWaalsContact OE1-CB 3.23Å; E658-S741 WeakPolarHBondContact OE1-CB 3.34Å; E658-S741 PolarHBondContact OE1-OG 3.26Å; C737-S741 VanDerWaalsContact O-CA 3.25Å; C737-S741 WeakPolarHBondContact O-CA 3.48Å; C737-S741 PolarHBondContact O-N 2.9Å; S741-R743 PolarHBondContact O-N 3.35Å | ||
| 742 | V | 94.1 | Very high | 91.8 | Very high | 1 Ų | 1 | 21.6 Ų | 21.6 | 1% | 0.006 | 11% | 0.11 | C | C | . | . | trans | -60.7 | 124.7 | 176.7 | 73.3 | 0 | 0 | 0 | 0 | 110.6 | N657 A668 S736 C737 C740 V744 C762 A783 | N657-V742 HydrophobicContact CB-CB 4.35Å; A668-V742 HydrophobicContact CB-CG2 3.73Å; S736-V742 WeakPolarHBondContact CA-O 3.49Å; C737-V742 HydrophobicContact CB-CG1 3.8Å; C737-V742 PolarHBondContact N-O 3.09Å; C740-V742 PolarHBondContact O-N 2.85Å; V742-V744 HydrophobicContact CG2-CG1 4.47Å; V742-C762 HydrophobicContact CG1-CB 4.02Å; V742-A783 HydrophobicContact CG2-CB 4.3Å | ||
| 743 | R | 94.6 | Very high | 91.3 | Very high | 62 Ų | 62 | 24 Ų | 24 | 23% | 0.234 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 134.3 | 178 | -170.8 | 178.8 | -74.2 | -165.1 | -8.7 | 111.2 | A661 H666 C667 A668 L734 V735 S736 S741 | A661-R743 HydrophobicContact CB-CB 3.54Å; A661-R743 HydrophobicContact CB-CG 4.37Å; H666-R743 VanDerWaalsContact O-CD 3.22Å; H666-R743 WeakPolarHBondContact O-CD 3.23Å; H666-R743 WeakPolarHBondContact O-CG 3.35Å; C667-R743 WeakPolarHBondContact CA-O 3.1Å; A668-R743 WeakPolarHBondContact CB-O 3.5Å; A668-R743 PolarHBondContact N-O 2.96Å; L734-R743 HydrophobicContact CB-CG 4.29Å; L734-R743 HydrophobicContact CD2-CG 4.38Å; V735-R743 CarbonylContact O-C 3.5Å; V735-R743 VanDerWaalsContact O-CA 3.27Å; V735-R743 WeakPolarHBondContact O-CA 3.48Å; S736-R743 PolarHBondContact OG-NE 2.8Å; S741-R743 PolarHBondContact O-N 3.35Å |
| 744 | V | 94.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 152.8 | -178.7 | -65.9 | 0 | 0 | 0 | 0 | 112 | A668 V669 L734 V735 V742 Y749 W760 A783 | A668-V744 HydrophobicContact CB-CG1 4.43Å; V669-V744 HydrophobicContact CG2-CG1 3.92Å; L734-V744 WeakPolarHBondContact CA-O 3.23Å; V735-V744 HydrophobicContact CG2-CG2 3.64Å; V735-V744 PolarHBondContact N-O 3.06Å; V735-V744 PolarHBondContact O-N 3.02Å; V742-V744 HydrophobicContact CG2-CG1 4.47Å; V744-Y749 HydrophobicContact CG1-CD2 4.44Å; V744-Y749 HydrophobicContact CG2-CD1 4.33Å; V744-Y749 HydrophobicContact CG2-CG 3.92Å; V744-W760 HydrophobicContact CG2-CH2 3.79Å; V744-W760 HydrophobicContact CG2-CZ3 4.23Å; V744-A783 HydrophobicContact CG1-CB 3.73Å |
| 745 | H | 92.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 140 | 161.5 | -69.3 | 113.8 | 0 | 0 | 0 | 110.2 | C667 C670 T701 P703 S747 C748 Y749 | C667-H745 HydrophobicContact CB-CB 4.47Å; C667-H745 WeakPolarHBondContact CB-ND1 3.38Å; C667-H745 PolarHBondContact SG-N 3.34Å; C670-H745 PolarHBondContact SG-ND1 2.85Å; T701-H745 PolarHBondContact O-NE2 3.31Å; T701-H745 PolarHBondContact OG1-NE2 3.46Å; P703-H745 HydrophobicContact CG-CB 4.39Å; H745-S747 VanDerWaalsContact C-N 3.31Å; H745-S747 PolarHBondContact O-N 3.35Å; H745-C748 HydrophobicContact CB-CB 3.98Å; H745-C748 PolarHBondContact O-N 2.81Å; H745-Y749 PolarHBondContact O-N 2.98Å |
| 746 | A | 91 | Very high | 89.7 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -54.9 | -45.9 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | I733 Y749 G750 V751 | I733-A746 PolarHBondContact O-N 2.61Å; A746-Y749 PolarHBondContact O-N 3.42Å; A746-G750 PolarHBondContact O-N 3.04Å; A746-V751 HydrophobicContact CB-CB 4.35Å; A746-V751 WeakPolarHBondContact CB-O 3.4Å; A746-V751 PolarHBondContact O-N 2.72Å |
| 747 | S | 90.4 | Very high | 89.2 | Confident | 3 Ų | 3 | 34.6 Ų | 34.6 | 2% | 0.021 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -66 | -37.6 | 176.5 | 58.6 | 0 | 0 | 0 | 0 | 114 | P724 S732 H745 Y749 R812 | P724-S747 VanDerWaalsContact O-CA 3.3Å; P724-S747 WeakPolarHBondContact O-CA 3.22Å; P724-S747 WeakPolarHBondContact O-CB 3.42Å; S732-S747 WeakPolarHBondContact CB-OG 3.45Å; S732-S747 PolarHBondContact OG-N 3.22Å; S732-S747 VanDerWaalsContact OG-N 3.15Å; S732-S747 PolarHBondContact OG-OG 3.28Å; H745-S747 VanDerWaalsContact C-N 3.31Å; H745-S747 PolarHBondContact O-N 3.35Å; S747-Y749 VanDerWaalsContact C-N 3.31Å; S747-Y749 PolarHBondContact O-N 2.69Å; S747-R812 VanDerWaalsContact O-CZ 3.29Å; S747-R812 PolarHBondContact O-NE 3.34Å; S747-R812 PolarHBondContact O-NH2 2.78Å |
| 748 | C | 91 | Very high | 88.4 | Confident | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.007 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -75.3 | -16.7 | -178.9 | -62.7 | 0 | 0 | 0 | 0 | 114.3 | V669 F710 H745 | V669-C748 HydrophobicContact CB-CB 4.15Å; V669-C748 HydrophobicContact CG2-CB 4.13Å; F710-C748 HydrophobicContact CZ-CB 4.18Å; H745-C748 HydrophobicContact CB-CB 3.98Å; H745-C748 PolarHBondContact O-N 2.81Å |
| 749 | Y | 92.6 | Very high | 88.1 | Confident | 5 Ų | 5 | 40.5 Ų | 40.5 | 2% | 0.02 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -116.5 | -6 | 179.5 | -165.1 | -100.9 | 0 | 0 | 0 | 113.7 | V744 H745 A746 S747 V751 W760 C762 S763 A783 L784 Q785 V795 | V744-Y749 HydrophobicContact CG1-CD2 4.44Å; V744-Y749 HydrophobicContact CG2-CD1 4.33Å; V744-Y749 HydrophobicContact CG2-CG 3.92Å; H745-Y749 PolarHBondContact O-N 2.98Å; A746-Y749 PolarHBondContact O-N 3.42Å; S747-Y749 VanDerWaalsContact C-N 3.31Å; S747-Y749 PolarHBondContact O-N 2.69Å; Y749-V751 HydrophobicContact CD1-CG2 3.78Å; Y749-W760 AromaticContact CD1-CH2 3.9Å; Y749-W760 HydrophobicContact CD1-CH2 3.9Å; Y749-W760 AromaticContact CD1-CZ2 3.62Å; Y749-W760 HydrophobicContact CD1-CZ2 3.62Å; Y749-W760 AromaticContact CE1-CH2 3.89Å; Y749-W760 HydrophobicContact CE1-CH2 3.89Å; Y749-W760 AromaticContact CE1-CZ2 3.62Å; Y749-W760 HydrophobicContact CE1-CZ2 3.62Å; Y749-C762 HydrophobicContact CE1-CB 4.21Å; Y749-S763 WeakPolarHBondContact OH-CB 3.35Å; Y749-S763 PolarHBondContact OH-N 2.61Å; Y749-S763 PolarHBondContact OH-OG 3.12Å; Y749-A783 HydrophobicContact CD2-CB 3.95Å; Y749-A783 HydrophobicContact CE2-CB 3.96Å; Y749-L784 WeakPolarHBondContact CE2-O 3.22Å; Y749-L784 PolarHBondContact OH-O 3.32Å; Y749-Q785 HydrophobicContact CE2-CG 3.92Å; Y749-Q785 PolarHBondContact O-NE2 2.65Å; Y749-V795 HydrophobicContact CD2-CG2 3.9Å; Y749-V795 HydrophobicContact CE2-CG2 4.03Å |
| 750 | G | 89.2 | Confident | 88.1 | Confident | 11 Ų | 11 | 38.1 Ų | 38.1 | 11% | 0.113 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83.1 | 32.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | A746 P752 A810 | A746-G750 PolarHBondContact O-N 3.04Å; G750-P752 WeakPolarHBondContact O-CD 3.39Å; G750-A810 WeakPolarHBondContact CA-O 3.24Å |
| 751 | V | 88.8 | Confident | 88.1 | Confident | 7 Ų | 7 | 42 Ų | 42 | 4% | 0.042 | 23% | 0.234 | C | C | . | . | trans | -96.1 | 117.3 | -178.1 | -172.2 | 0 | 0 | 0 | 0 | 110.1 | Y725 V735 A746 Y749 K755 W760 | Y725-V751 VanDerWaalsContact CD2-O 3.3Å; Y725-V751 WeakPolarHBondContact CD2-O 3.24Å; V735-V751 HydrophobicContact CG2-CG2 4.3Å; A746-V751 HydrophobicContact CB-CB 4.35Å; A746-V751 WeakPolarHBondContact CB-O 3.4Å; A746-V751 PolarHBondContact O-N 2.72Å; Y749-V751 HydrophobicContact CD1-CG2 3.78Å; V751-K755 HydrophobicContact CG1-CB 4.25Å; V751-W760 HydrophobicContact CG2-CZ2 3.65Å | ||
| 752 | P | 84.8 | Confident | 88.1 | Confident | 33 Ų | 33 | 41.1 Ų | 41.1 | 21% | 0.214 | 23% | 0.228 | C | C | . | . | trans | -60.3 | 139.3 | 171.8 | -21.9 | 31.7 | 0 | 0 | 0 | 111.5 | Y725 G750 A754 K755 A756 | Y725-P752 HydrophobicContact CE1-CB 4.06Å; Y725-P752 HydrophobicContact CE1-CG 4.29Å; Y725-P752 HydrophobicContact CE2-CG 4.33Å; G750-P752 WeakPolarHBondContact O-CD 3.39Å; P752-A754 PolarHBondContact O-N 3.21Å; P752-A754 VanDerWaalsContact O-N 3.1Å; P752-K755 HydrophobicContact CB-CG 4.48Å; P752-K755 HydrophobicContact CG-CD 4.21Å; P752-K755 WeakPolarHBondContact O-CA 3.46Å; P752-K755 PolarHBondContact O-N 3.1Å; P752-A756 PolarHBondContact O-N 2.82Å | ||
| 753 | P | 80.1 | Confident | 88.1 | Confident | 52 Ų | 52 | 43 Ų | 43 | 34% | 0.338 | 24% | 0.241 | S | C | . | . | G | 310 helix | trans | -56.2 | -31 | -179.5 | -29.6 | 36.4 | 0 | 0 | 0 | 114.3 | Y725 I733 K755 A756 | Y725-P753 VanDerWaalsContact CD1-CD 3.42Å; Y725-P753 HydrophobicContact CD1-CG 4.37Å; I733-P753 HydrophobicContact CD1-CB 4.38Å; P753-K755 PolarHBondContact O-N 3.4Å; P753-A756 WeakPolarHBondContact O-CB 3.2Å; P753-A756 PolarHBondContact O-N 2.91Å; P753-A756 VanDerWaalsContact O-N 3.1Å |
| 754 | A | 79.2 | Confident | 88 | Confident | 105 Ų | 105 | 40.1 Ų | 40.1 | 87% | 0.868 | 23% | 0.23 | S | C | * | . | G | 310 helix | trans | -64.4 | -21.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114 | P752 | P752-A754 PolarHBondContact O-N 3.21Å; P752-A754 VanDerWaalsContact O-N 3.1Å |
| 755 | K | 81.6 | Confident | 88 | Confident | 136 Ų | 136 | 40.4 Ų | 40.4 | 59% | 0.591 | 23% | 0.232 | S | C | * | . | G | 310 helix | trans | -98.4 | 0.5 | 174.9 | -59.9 | -175.4 | -176 | 173.7 | 0 | 112.8 | V751 P752 P753 S757 | V751-K755 HydrophobicContact CG1-CB 4.25Å; P752-K755 HydrophobicContact CB-CG 4.48Å; P752-K755 HydrophobicContact CG-CD 4.21Å; P752-K755 WeakPolarHBondContact O-CA 3.46Å; P752-K755 PolarHBondContact O-N 3.1Å; P753-K755 PolarHBondContact O-N 3.4Å; K755-S757 VanDerWaalsContact C-N 3.3Å; K755-S757 PolarHBondContact O-N 2.89Å |
| 756 | A | 80.9 | Confident | 88 | Confident | 5 Ų | 5 | 43.8 Ų | 43.8 | 4% | 0.041 | 26% | 0.256 | C | S | . | . | trans | -83 | 69.2 | 177 | 0 | 0 | 0 | 0 | 0 | 111.3 | K698 I733 V735 P752 P753 | K698-A756 PolarHBondContact NZ-O 2.9Å; I733-A756 HydrophobicContact CG2-CB 4.41Å; V735-A756 HydrophobicContact CG1-CB 3.44Å; V735-A756 VanDerWaalsContact CG1-CB 3.44Å; P752-A756 PolarHBondContact O-N 2.82Å; P753-A756 WeakPolarHBondContact O-CB 3.2Å; P753-A756 PolarHBondContact O-N 2.91Å; P753-A756 VanDerWaalsContact O-N 3.1Å | ||
| 757 | S | 82.1 | Confident | 88 | Confident | 60 Ų | 60 | 46.7 Ų | 46.7 | 42% | 0.42 | 28% | 0.279 | S | S | . | . | trans | -99.1 | 169.5 | 173.7 | 62.5 | 0 | 0 | 0 | 0 | 112.1 | K755 D759 W760 | K755-S757 VanDerWaalsContact C-N 3.3Å; K755-S757 PolarHBondContact O-N 2.89Å; S757-D759 PolarHBondContact O-N 3.15Å; S757-W760 VanDerWaalsContact O-CB 3.23Å; S757-W760 WeakPolarHBondContact O-CB 3.41Å; S757-W760 PolarHBondContact O-N 3.24Å | ||
| 758 | E | 77.9 | Confident | 88.1 | Confident | 165 Ų | 165 | 51.6 Ų | 51.6 | 77% | 0.771 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -24 | 174.6 | -62.5 | 178 | -178.8 | 0 | 0 | 112.4 | W760 | E758-W760 VanDerWaalsContact C-N 3.25Å; E758-W760 PolarHBondContact O-N 3.08Å |
| 759 | D | 85.9 | Confident | 88.1 | Confident | 104 Ų | 104 | 52.4 Ų | 52.4 | 56% | 0.556 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | 7.4 | 173.8 | -72.8 | -57.5 | 0 | 0 | 0 | 114.3 | K738 S757 | K738-D759 WeakPolarHBondContact CD-OD1 3.03Å; K738-D759 IonicContact NZ-OD1 2.71Å; K738-D759 PolarHBondContact NZ-OD1 2.93Å; S757-D759 PolarHBondContact O-N 3.15Å |
| 760 | W | 92.5 | Very high | 87.8 | Confident | 25 Ų | 25 | 54.3 Ų | 54.3 | 10% | 0.095 | 32% | 0.322 | C | S | . | . | trans | -61.4 | 142.6 | -175.9 | -179.9 | 81.1 | 0 | 0 | 0 | 113 | V735 C737 K738 V744 Y749 V751 S757 E758 C762 | V735-W760 HydrophobicContact CB-CD2 4.04Å; V735-W760 HydrophobicContact CB-CE3 3.87Å; V735-W760 HydrophobicContact CB-CG 4.43Å; V735-W760 HydrophobicContact CB-CZ3 4.31Å; V735-W760 HydrophobicContact CG2-CD2 3.94Å; V735-W760 HydrophobicContact CG2-CE3 3.78Å; V735-W760 HydrophobicContact CG2-CH2 3.97Å; V735-W760 HydrophobicContact CG2-CZ2 4.13Å; V735-W760 HydrophobicContact CG2-CZ3 3.79Å; C737-W760 WeakPolarHBondContact CA-O 3.46Å; C737-W760 HydrophobicContact CB-CE3 4.08Å; C737-W760 HydrophobicContact CB-CZ3 3.77Å; K738-W760 PolarHBondContact N-O 3.37Å; V744-W760 HydrophobicContact CG2-CH2 3.79Å; V744-W760 HydrophobicContact CG2-CZ3 4.23Å; Y749-W760 AromaticContact CD1-CH2 3.9Å; Y749-W760 HydrophobicContact CD1-CH2 3.9Å; Y749-W760 AromaticContact CD1-CZ2 3.62Å; Y749-W760 HydrophobicContact CD1-CZ2 3.62Å; Y749-W760 AromaticContact CE1-CH2 3.89Å; Y749-W760 HydrophobicContact CE1-CH2 3.89Å; Y749-W760 AromaticContact CE1-CZ2 3.62Å; Y749-W760 HydrophobicContact CE1-CZ2 3.62Å; V751-W760 HydrophobicContact CG2-CZ2 3.65Å; S757-W760 VanDerWaalsContact O-CB 3.23Å; S757-W760 WeakPolarHBondContact O-CB 3.41Å; S757-W760 PolarHBondContact O-N 3.24Å; E758-W760 VanDerWaalsContact C-N 3.25Å; E758-W760 PolarHBondContact O-N 3.08Å; W760-C762 HydrophobicContact CH2-CB 3.64Å; W760-C762 HydrophobicContact CZ2-CB 4.19Å; W760-C762 HydrophobicContact CZ3-CB 4.13Å | ||
| 761 | M | 93.5 | Very high | 87.6 | Confident | 84 Ų | 84 | 61.3 Ų | 61.3 | 41% | 0.414 | 35% | 0.352 | S | S | . | . | trans | -129.7 | 133.4 | 176.2 | -68.6 | -168.1 | -65.6 | 0 | 0 | 110.8 | C765 S766 | M761-C765 HydrophobicContact CB-CB 4.47Å; M761-S766 WeakPolarHBondContact CB-OG 3.49Å; M761-S766 PolarHBondContact O-OG 2.91Å | ||
| 762 | C | 93.3 | Very high | 87.7 | Confident | 4 Ų | 4 | 65.3 Ų | 65.3 | 3% | 0.027 | 37% | 0.371 | C | S | . | . | trans | -67.4 | 159.5 | 175.3 | 73 | 0 | 0 | 0 | 0 | 111.4 | C737 C740 V742 Y749 W760 R764 C765 S766 | C737-C762 HydrophobicContact CB-CB 4.13Å; C737-C762 PolarHBondContact SG-N 3.19Å; C737-C762 VanDerWaalsContact SG-N 3.37Å; C737-C762 VanDerWaalsContact SG-SG 3.67Å; C740-C762 VanDerWaalsContact SG-SG 3.67Å; V742-C762 HydrophobicContact CG1-CB 4.02Å; Y749-C762 HydrophobicContact CE1-CB 4.21Å; W760-C762 HydrophobicContact CH2-CB 3.64Å; W760-C762 HydrophobicContact CZ2-CB 4.19Å; W760-C762 HydrophobicContact CZ3-CB 4.13Å; C762-R764 VanDerWaalsContact C-N 3.25Å; C762-R764 PolarHBondContact O-N 3.22Å; C762-R764 VanDerWaalsContact O-N 3.12Å; C762-C765 PolarHBondContact O-N 3.4Å; C762-S766 PolarHBondContact O-N 3.04Å; C762-S766 PolarHBondContact O-OG 3.26Å | ||
| 763 | S | 93.1 | Very high | 87.9 | Confident | 40 Ų | 40 | 65.6 Ų | 65.6 | 28% | 0.28 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -52.3 | -40.7 | -174.1 | -55.1 | 0 | 0 | 0 | 0 | 113.1 | Y749 A767 Q785 W792 | Y749-S763 WeakPolarHBondContact OH-CB 3.35Å; Y749-S763 PolarHBondContact OH-N 2.61Å; Y749-S763 PolarHBondContact OH-OG 3.12Å; S763-A767 VanDerWaalsContact O-CB 3.32Å; S763-A767 WeakPolarHBondContact O-CB 3.34Å; S763-A767 PolarHBondContact O-N 2.59Å; S763-Q785 PolarHBondContact OG-OE1 2.84Å; S763-W792 WeakPolarHBondContact O-CH2 3.43Å |
| 764 | R | 93.9 | Very high | 88.5 | Confident | 3 Ų | 3 | 63.2 Ų | 63.2 | 1% | 0.011 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -63.5 | -46.1 | 177.5 | -171.7 | 173.4 | 69.4 | 155.5 | 0.6 | 112.5 | E653 C762 A767 N768 A769 L770 E772 L784 W792 | E653-R764 IonicContact OE1-NH1 3.42Å; E653-R764 IonicContact OE2-CZ 3.52Å; E653-R764 IonicContact OE2-NH1 3.53Å; E653-R764 PolarHBondContact OE2-NH1 3.43Å; E653-R764 IonicContact OE2-NH2 2.71Å; E653-R764 PolarHBondContact OE2-NH2 3.13Å; C762-R764 VanDerWaalsContact C-N 3.25Å; C762-R764 PolarHBondContact O-N 3.22Å; C762-R764 VanDerWaalsContact O-N 3.12Å; R764-A767 PolarHBondContact O-N 3Å; R764-N768 PolarHBondContact O-N 3.25Å; R764-A769 WeakPolarHBondContact CD-O 3.2Å; R764-A769 HydrophobicContact CG-CB 4.07Å; R764-A769 WeakPolarHBondContact CG-O 3.47Å; R764-A769 PolarHBondContact O-N 2.93Å; R764-L770 PolarHBondContact NH1-O 2.88Å; R764-E772 PolarHBondContact NH1-O 3.02Å; R764-L784 HydrophobicContact CB-CB 4.45Å; R764-W792 HydrophobicContact CB-CE3 4.19Å; R764-W792 HydrophobicContact CB-CH2 4.23Å; R764-W792 HydrophobicContact CB-CZ3 3.84Å; R764-W792 HydrophobicContact CG-CZ3 4.49Å |
| 765 | C | 93.6 | Very high | 89.1 | Confident | 5 Ų | 5 | 59.4 Ų | 59.4 | 3% | 0.034 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -71.5 | -36.9 | -179.9 | -72.1 | 0 | 0 | 0 | 0 | 112.7 | K739 C740 M761 C762 A767 N768 | K739-C765 HydrophobicContact CB-CB 3.98Å; K739-C765 HydrophobicContact CD-CB 4.07Å; K739-C765 HydrophobicContact CG-CB 4.42Å; C740-C765 PolarHBondContact SG-SG 3.09Å; M761-C765 HydrophobicContact CB-CB 4.47Å; C762-C765 PolarHBondContact O-N 3.4Å; C765-A767 VanDerWaalsContact C-N 3.35Å; C765-N768 PolarHBondContact O-N 3Å; C765-N768 VanDerWaalsContact O-N 3.07Å |
| 766 | S | 92.6 | Very high | 89.6 | Confident | 72 Ų | 72 | 53 Ų | 53 | 50% | 0.503 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -66 | -34.4 | 175.1 | -61.6 | 0 | 0 | 0 | 0 | 112.7 | M761 C762 N768 | M761-S766 WeakPolarHBondContact CB-OG 3.49Å; M761-S766 PolarHBondContact O-OG 2.91Å; C762-S766 PolarHBondContact O-N 3.04Å; C762-S766 PolarHBondContact O-OG 3.26Å; S766-N768 PolarHBondContact O-N 2.85Å |
| 767 | A | 91.3 | Very high | 90.1 | Very high | 60 Ų | 60 | 52.8 Ų | 52.8 | 50% | 0.496 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | 1.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | S763 R764 C765 A769 W792 | S763-A767 VanDerWaalsContact O-CB 3.32Å; S763-A767 WeakPolarHBondContact O-CB 3.34Å; S763-A767 PolarHBondContact O-N 2.59Å; R764-A767 PolarHBondContact O-N 3Å; C765-A767 VanDerWaalsContact C-N 3.35Å; A767-A769 HydrophobicContact CB-CB 4.2Å; A767-A769 PolarHBondContact O-N 3.28Å; A767-A769 VanDerWaalsContact O-N 3.08Å; A767-W792 HydrophobicContact CB-CH2 3.9Å; A767-W792 HydrophobicContact CB-CZ2 3.92Å |
| 768 | N | 91.9 | Very high | 90.3 | Very high | 106 Ų | 106 | 50 Ų | 50 | 57% | 0.567 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.4 | 19.3 | -170.4 | -161.1 | 52.9 | 0 | 0 | 0 | 115.4 | K739 R764 C765 S766 L770 | K739-N768 PolarHBondContact NZ-OD1 3.06Å; R764-N768 PolarHBondContact O-N 3.25Å; C765-N768 PolarHBondContact O-N 3Å; C765-N768 VanDerWaalsContact O-N 3.07Å; S766-N768 PolarHBondContact O-N 2.85Å; N768-L770 PolarHBondContact O-N 2.73Å |
| 769 | A | 90.5 | Very high | 90.8 | Very high | 19 Ų | 19 | 42.6 Ų | 42.6 | 16% | 0.157 | 24% | 0.238 | C | C | . | . | trans | -81.6 | 52.9 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | R764 A767 E771 E772 W792 | R764-A769 WeakPolarHBondContact CD-O 3.2Å; R764-A769 HydrophobicContact CG-CB 4.07Å; R764-A769 WeakPolarHBondContact CG-O 3.47Å; R764-A769 PolarHBondContact O-N 2.93Å; A767-A769 HydrophobicContact CB-CB 4.2Å; A767-A769 PolarHBondContact O-N 3.28Å; A767-A769 VanDerWaalsContact O-N 3.08Å; A769-E771 VanDerWaalsContact C-N 3.34Å; A769-E771 PolarHBondContact O-N 3.21Å; A769-E772 HydrophobicContact CB-CB 4.17Å; A769-E772 HydrophobicContact CB-CG 3.88Å; A769-E772 WeakPolarHBondContact O-CB 3.22Å; A769-E772 PolarHBondContact O-N 3.01Å; A769-W792 HydrophobicContact CB-CH2 4.4Å; A769-W792 HydrophobicContact CB-CZ2 3.58Å | ||
| 770 | L | 86.8 | Confident | 91 | Very high | 44 Ų | 44 | 38.5 Ų | 38.5 | 23% | 0.23 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -31.6 | -168.6 | -55.3 | -174.9 | 0 | 0 | 0 | 114 | F650 K739 R764 N768 E772 | F650-L770 HydrophobicContact CD2-CB 4.42Å; F650-L770 HydrophobicContact CE2-CB 4.45Å; F650-L770 HydrophobicContact CE2-CD1 4.45Å; F650-L770 HydrophobicContact CE2-CD2 3.89Å; F650-L770 HydrophobicContact CE2-CG 4.49Å; F650-L770 HydrophobicContact CZ-CD2 4.2Å; K739-L770 HydrophobicContact CD-CD2 4.2Å; R764-L770 PolarHBondContact NH1-O 2.88Å; N768-L770 PolarHBondContact O-N 2.73Å; L770-E772 VanDerWaalsContact C-N 3.29Å |
| 771 | E | 86 | Confident | 90.9 | Very high | 159 Ų | 159 | 37.3 Ų | 37.3 | 74% | 0.743 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -5.5 | -179.1 | -62.6 | 177.2 | -174.2 | 0 | 0 | 112.7 | A769 | A769-E771 VanDerWaalsContact C-N 3.34Å; A769-E771 PolarHBondContact O-N 3.21Å |
| 772 | E | 90.1 | Very high | 90.8 | Very high | 91 Ų | 91 | 34 Ų | 34 | 43% | 0.425 | 20% | 0.198 | S | C | . | . | trans | -78.8 | 134.7 | -176 | -74.2 | -67.5 | 153.8 | 0 | 0 | 113.3 | R764 A769 L770 W792 | R764-E772 PolarHBondContact NH1-O 3.02Å; A769-E772 HydrophobicContact CB-CB 4.17Å; A769-E772 HydrophobicContact CB-CG 3.88Å; A769-E772 WeakPolarHBondContact O-CB 3.22Å; A769-E772 PolarHBondContact O-N 3.01Å; L770-E772 VanDerWaalsContact C-N 3.29Å; E772-W792 HydrophobicContact CB-CB 4.49Å; E772-W792 HydrophobicContact CB-CD2 4.5Å; E772-W792 HydrophobicContact CB-CG 3.89Å; E772-W792 HydrophobicContact CG-CG 4.49Å | ||
| 773 | D | 90.3 | Very high | 90.8 | Very high | 38 Ų | 38 | 33.9 Ų | 33.9 | 20% | 0.203 | 20% | 0.197 | C | C | . | . | trans | -113.3 | 150.3 | -169.2 | -90.2 | -30.7 | 0 | 0 | 0 | 112.6 | Q644 C775 R780 | Q644-D773 HydrophobicContact CG-CB 4.28Å; Q644-D773 WeakPolarHBondContact CG-OD2 3.4Å; D773-C775 PolarHBondContact O-N 3.14Å; D773-R780 WeakPolarHBondContact OD1-CD 3.43Å; D773-R780 VanDerWaalsContact OD1-CG 3.27Å; D773-R780 WeakPolarHBondContact OD1-CG 3.46Å; D773-R780 IonicContact OD1-CZ 3.64Å; D773-R780 IonicContact OD1-NE 3.21Å; D773-R780 PolarHBondContact OD1-NE 2.71Å; D773-R780 IonicContact OD1-NH2 3.35Å; D773-R780 IonicContact OD2-CZ 2.79Å; D773-R780 IonicContact OD2-NE 2.78Å; D773-R780 PolarHBondContact OD2-NE 3.01Å; D773-R780 VanDerWaalsContact OD2-NE 3.12Å; D773-R780 IonicContact OD2-NH2 3.02Å; D773-R780 PolarHBondContact OD2-NH2 3.24Å | ||
| 774 | C | 92.6 | Very high | 90.9 | Very high | 2 Ų | 2 | 32.2 Ų | 32.2 | 1% | 0.014 | 19% | 0.185 | C | C | . | . | B | Isolated β-bridge | trans | -66.9 | 114.6 | 175.3 | 179.7 | 0 | 0 | 0 | 0 | 111.7 | Q644 L776 C777 L784 W792 H794 | Q644-C774 PolarHBondContact NE2-O 3.29Å; C774-L776 PolarHBondContact O-N 3.05Å; C774-C777 PolarHBondContact O-N 2.87Å; C774-L784 HydrophobicContact CB-CD2 3.87Å; C774-W792 WeakPolarHBondContact CA-O 3.39Å; C774-H794 VanDerWaalsContact CB-CE1 3.42Å; C774-H794 WeakPolarHBondContact CB-CE1 3.45Å; C774-H794 WeakPolarHBondContact CB-ND1 3.43Å; C774-H794 PolarHBondContact SG-N 3.39Å; C774-H794 PolarHBondContact SG-ND1 3.17Å |
| 775 | C | 90.9 | Very high | 90.9 | Very high | 26 Ų | 26 | 32.4 Ų | 32.4 | 18% | 0.176 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -10.6 | -178 | 74.1 | 0 | 0 | 0 | 0 | 114.5 | D773 R791 W792 | D773-C775 PolarHBondContact O-N 3.14Å; C775-R791 HydrophobicContact CB-CB 4.21Å; C775-W792 PolarHBondContact N-O 2.62Å |
| 776 | L | 91.7 | Very high | 90.9 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | -4.9 | -179.9 | -55.5 | -173.2 | 0 | 0 | 0 | 114 | C774 V793 C797 I801 V817 I820 F825 C842 | C774-L776 PolarHBondContact O-N 3.05Å; L776-V793 HydrophobicContact CD1-CG1 3.62Å; L776-V793 HydrophobicContact CD1-CG2 4.34Å; L776-V793 HydrophobicContact CG-CG1 4.18Å; L776-V793 HydrophobicContact CG-CG2 4.32Å; L776-C797 HydrophobicContact CB-CB 4.18Å; L776-C797 HydrophobicContact CD1-CB 4.42Å; L776-I801 HydrophobicContact CB-CD1 3.98Å; L776-I801 HydrophobicContact CD1-CD1 3.77Å; L776-I801 HydrophobicContact CG-CD1 4.39Å; L776-V817 HydrophobicContact CD1-CG1 4.26Å; L776-V817 HydrophobicContact CD2-CG1 4.48Å; L776-I820 HydrophobicContact CD1-CD1 3.93Å; L776-I820 HydrophobicContact CD2-CD1 3.64Å; L776-I820 HydrophobicContact CG-CD1 4.48Å; L776-F825 HydrophobicContact CD2-CE1 4.17Å; L776-F825 HydrophobicContact CD2-CZ 4.15Å; L776-C842 HydrophobicContact CB-CB 4.37Å; L776-C842 HydrophobicContact CD2-CB 4.08Å; L776-C842 PolarHBondContact O-N 3.12Å |
| 777 | C | 90.8 | Very high | 90.8 | Very high | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.007 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -140.9 | -154.4 | 178.2 | 80.5 | 0 | 0 | 0 | 0 | 113.3 | Q644 C774 H794 H856 S858 | Q644-C777 PolarHBondContact OE1-O 3.35Å; C774-C777 PolarHBondContact O-N 2.87Å; C777-H794 VanDerWaalsContact SG-CE1 3.6Å; C777-H794 PolarHBondContact SG-ND1 3.1Å; C777-H794 VanDerWaalsContact SG-ND1 3.42Å; C777-H856 HydrophobicContact CB-CB 4.16Å; C777-S858 VanDerWaalsContact CB-OG 3.23Å; C777-S858 WeakPolarHBondContact CB-OG 3.42Å; C777-S858 PolarHBondContact SG-OG 2.74Å |
| 778 | S | 86.9 | Confident | 90.6 | Very high | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.007 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -137.4 | 14.3 | -177.1 | -47.9 | 0 | 0 | 0 | 0 | 114.3 | Q644 A840 H856 | Q644-S778 PolarHBondContact N-O 3.33Å; S778-A840 PolarHBondContact OG-O 3.39Å; S778-A840 VanDerWaalsContact OG-O 3.14Å; S778-H856 PolarHBondContact OG-CE1 2.75Å; S778-H856 VanDerWaalsContact OG-CE1 3.22Å; S778-H856 PolarHBondContact OG-ND1 2.9Å; S778-H856 VanDerWaalsContact OG-ND1 3.08Å |
| 779 | L | 88.4 | Confident | 90.3 | Very high | 10 Ų | 10 | 33.5 Ų | 33.5 | 5% | 0.052 | 17% | 0.169 | C | C | . | . | B | Isolated β-bridge | trans | -124.3 | 152.9 | -176.4 | -71.9 | 170.1 | 0 | 0 | 0 | 111 | L639 L642 W643 Q644 H794 | L639-L779 HydrophobicContact CB-CD2 4.3Å; L639-L779 HydrophobicContact CD1-CD1 4.16Å; L639-L779 HydrophobicContact CD1-CD2 4.49Å; L642-L779 HydrophobicContact CB-CD2 4.42Å; L642-L779 CarbonylContact O-C 3.45Å; L642-L779 WeakPolarHBondContact O-CA 3.46Å; W643-L779 HydrophobicContact CD2-CD2 3.64Å; W643-L779 HydrophobicContact CE3-CD2 3.65Å; W643-L779 HydrophobicContact CE3-CG 4.24Å; W643-L779 HydrophobicContact CG-CD2 4.15Å; W643-L779 HydrophobicContact CH2-CD2 4.16Å; W643-L779 HydrophobicContact CZ2-CD2 4.15Å; W643-L779 HydrophobicContact CZ3-CD2 3.92Å; W643-L779 HydrophobicContact CZ3-CG 4.17Å; Q644-L779 PolarHBondContact NE2-O 3.2Å; L779-H794 PolarHBondContact O-CE1 3.27Å |
| 780 | R | 90.6 | Very high | 89.9 | Confident | 19 Ų | 19 | 37.8 Ų | 37.8 | 7% | 0.072 | 19% | 0.189 | C | C | . | . | trans | -99.2 | -178.2 | 176.3 | -56.8 | -156.3 | 167.4 | 107.7 | 1.2 | 112.4 | L642 Q644 R646 P647 E653 D773 | L642-R780 WeakPolarHBondContact O-CG 3.47Å; L642-R780 PolarHBondContact O-N 3.08Å; Q644-R780 HydrophobicContact CG-CG 3.92Å; R646-R780 PolarHBondContact O-NH1 3.42Å; P647-R780 PolarHBondContact O-NH1 2.82Å; E653-R780 VanDerWaalsContact CD-CB 3.5Å; E653-R780 HydrophobicContact CG-CB 3.69Å; E653-R780 WeakPolarHBondContact OE1-CD 3.16Å; D773-R780 WeakPolarHBondContact OD1-CD 3.43Å; D773-R780 VanDerWaalsContact OD1-CG 3.27Å; D773-R780 WeakPolarHBondContact OD1-CG 3.46Å; D773-R780 IonicContact OD1-CZ 3.64Å; D773-R780 IonicContact OD1-NE 3.21Å; D773-R780 PolarHBondContact OD1-NE 2.71Å; D773-R780 IonicContact OD1-NH2 3.35Å; D773-R780 IonicContact OD2-CZ 2.79Å; D773-R780 IonicContact OD2-NE 2.78Å; D773-R780 PolarHBondContact OD2-NE 3.01Å; D773-R780 VanDerWaalsContact OD2-NE 3.12Å; D773-R780 IonicContact OD2-NH2 3.02Å; D773-R780 PolarHBondContact OD2-NH2 3.24Å | ||
| 781 | G | 89.3 | Confident | 90.1 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.196 | C | C | . | . | trans | 72 | -171 | -172.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | E653 H794 | E653-G781 WeakPolarHBondContact OE2-CA 3.36Å; E653-G781 PolarHBondContact OE2-N 3.29Å; G781-H794 PolarHBondContact O-NE2 3.01Å | ||
| 782 | G | 91.9 | Very high | 90.5 | Very high | 15 Ų | 15 | 33.5 Ų | 33.5 | 16% | 0.155 | 16% | 0.163 | C | C | . | . | S | Bend | trans | 74.1 | -176 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | N657 | N657-G782 PolarHBondContact OD1-N 2.77Š|
| 783 | A | 94 | Very high | 90.7 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.008 | 14% | 0.143 | C | C | . | . | trans | -92.3 | 113.4 | -172.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | V669 V742 V744 Y749 H794 V795 | V669-A783 HydrophobicContact CG2-CB 3.93Å; V742-A783 HydrophobicContact CG2-CB 4.3Å; V744-A783 HydrophobicContact CG1-CB 3.73Å; Y749-A783 HydrophobicContact CD2-CB 3.95Å; Y749-A783 HydrophobicContact CE2-CB 3.96Å; A783-H794 VanDerWaalsContact O-CA 3.3Å; A783-H794 WeakPolarHBondContact O-CA 3.44Å; A783-V795 PolarHBondContact O-N 2.82Å | ||
| 784 | L | 94.8 | Very high | 90.9 | Very high | 4 Ų | 4 | 27.8 Ų | 27.8 | 2% | 0.021 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 141.5 | -174.7 | -70.6 | 160.8 | 0 | 0 | 0 | 112.1 | Y749 R764 C774 W792 V793 H794 | Y749-L784 WeakPolarHBondContact CE2-O 3.22Å; Y749-L784 PolarHBondContact OH-O 3.32Å; R764-L784 HydrophobicContact CB-CB 4.45Å; C774-L784 HydrophobicContact CB-CD2 3.87Å; L784-W792 HydrophobicContact CB-CE3 4.21Å; L784-V793 WeakPolarHBondContact CA-O 3.18Å; L784-H794 HydrophobicContact CD2-CB 4.43Å; L784-H794 WeakPolarHBondContact CD2-CD2 3.26Å |
| 785 | Q | 94.4 | Very high | 91 | Very high | 8 Ų | 8 | 27.7 Ų | 27.7 | 4% | 0.037 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 163.2 | 171 | -75.2 | -76.4 | 19.4 | 0 | 0 | 109.7 | Y749 S763 V793 V795 S813 | Y749-Q785 HydrophobicContact CE2-CG 3.92Å; Y749-Q785 PolarHBondContact O-NE2 2.65Å; S763-Q785 PolarHBondContact OG-OE1 2.84Å; Q785-V793 PolarHBondContact N-O 2.97Å; Q785-V793 PolarHBondContact O-N 2.91Å; Q785-V795 HydrophobicContact CB-CG2 4.3Å; Q785-V795 HydrophobicContact CG-CG2 3.63Å; Q785-S813 PolarHBondContact OE1-OG 3.29Å |
| 786 | R | 93.1 | Very high | 91.1 | Very high | 118 Ų | 118 | 26.9 Ų | 26.9 | 45% | 0.445 | 13% | 0.129 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 145.7 | 175.8 | -79.5 | 176.6 | 65.4 | -148.1 | 4 | 111.4 | D790 W792 P814 V815 | R786-D790 IonicContact CZ-OD1 2.92Å; R786-D790 IonicContact NE-OD1 2.68Å; R786-D790 IonicContact NH2-OD1 2.73Å; R786-D790 PolarHBondContact NH2-OD1 3.19Å; R786-W792 HydrophobicContact CG-CD2 4.12Å; R786-W792 HydrophobicContact CG-CE3 4.1Å; R786-W792 HydrophobicContact CG-CH2 3.58Å; R786-W792 HydrophobicContact CG-CZ2 3.6Å; R786-W792 HydrophobicContact CG-CZ3 3.84Å; R786-P814 CarbonylContact O-C 3.52Å; R786-P814 VanDerWaalsContact O-CA 3.23Å; R786-P814 WeakPolarHBondContact O-CA 3.2Å; R786-P814 WeakPolarHBondContact O-CB 3.46Å; R786-V815 PolarHBondContact O-N 3.04Å |
| 787 | A | 90.4 | Very high | 91.1 | Very high | 3 Ų | 3 | 26.9 Ų | 26.9 | 3% | 0.025 | 13% | 0.129 | C | C | . | . | B | Isolated β-bridge | trans | -86.3 | 172.9 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | D789 R791 V793 V815 V817 | A787-D789 WeakPolarHBondContact CB-OD1 3.46Å; A787-D789 PolarHBondContact O-N 2.75Å; A787-R791 HydrophobicContact CB-CB 4.48Å; A787-R791 VanDerWaalsContact CB-O 3.3Å; A787-R791 WeakPolarHBondContact CB-O 3.23Å; A787-R791 PolarHBondContact N-O 3.04Å; A787-V793 HydrophobicContact CB-CG2 4.01Å; A787-V815 CarbonylContact C-O 3.56Å; A787-V815 WeakPolarHBondContact CA-O 3.48Å; A787-V817 HydrophobicContact CB-CG1 4.39Å; A787-V817 HydrophobicContact CB-CG2 4.1Å |
| 788 | N | 87.4 | Confident | 91.2 | Very high | 79 Ų | 79 | 26.8 Ų | 26.8 | 42% | 0.422 | 13% | 0.129 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -4.6 | 171 | 63.7 | -26.1 | 0 | 0 | 0 | 114.7 | V815 D816 V817 | N788-V815 PolarHBondContact N-O 3.25Å; N788-V815 PolarHBondContact OD1-O 3.17Å; N788-D816 PolarHBondContact ND2-OD1 3.01Å; N788-D816 WeakPolarHBondContact OD1-CA 3.22Å; N788-V817 PolarHBondContact OD1-N 2.97Å; N788-V817 VanDerWaalsContact OD1-N 3.17Å |
| 789 | D | 84.8 | Confident | 91.3 | Very high | 66 Ų | 66 | 26.8 Ų | 26.8 | 35% | 0.353 | 13% | 0.129 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -115.9 | 30.6 | 175.6 | 63.8 | 14 | 0 | 0 | 0 | 112.6 | A787 R791 V817 | A787-D789 WeakPolarHBondContact CB-OD1 3.46Å; A787-D789 PolarHBondContact O-N 2.75Å; D789-R791 VanDerWaalsContact CG-NE 3.27Å; D789-R791 PolarHBondContact O-N 3.24Å; D789-R791 WeakPolarHBondContact OD1-CB 3.41Å; D789-R791 WeakPolarHBondContact OD1-CG 3.38Å; D789-R791 IonicContact OD1-CZ 2.97Å; D789-R791 IonicContact OD1-NE 2.71Å; D789-R791 PolarHBondContact OD1-NE 2.96Å; D789-R791 IonicContact OD1-NH2 3.68Å; D789-R791 IonicContact OD2-CZ 2.69Å; D789-R791 IonicContact OD2-NE 3.16Å; D789-R791 PolarHBondContact OD2-NE 3.2Å; D789-R791 IonicContact OD2-NH2 2.61Å; D789-R791 PolarHBondContact OD2-NH2 2.78Å; D789-V817 VanDerWaalsContact OD2-CG2 3.28Å; D789-V817 WeakPolarHBondContact OD2-CG2 3.15Å |
| 790 | D | 83.1 | Confident | 91.4 | Very high | 109 Ų | 109 | 26.5 Ų | 26.5 | 58% | 0.583 | 13% | 0.128 | S | C | * | . | S | Bend | trans | 61.7 | -7.4 | -179.2 | -73.3 | -50.7 | 0 | 0 | 0 | 117.4 | R786 | R786-D790 IonicContact CZ-OD1 2.92Å; R786-D790 IonicContact NE-OD1 2.68Å; R786-D790 IonicContact NH2-OD1 2.73Å; R786-D790 PolarHBondContact NH2-OD1 3.19Å |
| 791 | R | 91.5 | Very high | 91.4 | Very high | 99 Ų | 99 | 25.6 Ų | 25.6 | 37% | 0.374 | 13% | 0.125 | S | C | . | . | trans | -71.4 | 170.7 | 173.5 | -57.6 | -175.7 | -65.9 | 170.1 | -4.2 | 112.3 | C775 A787 D789 | C775-R791 HydrophobicContact CB-CB 4.21Å; A787-R791 HydrophobicContact CB-CB 4.48Å; A787-R791 VanDerWaalsContact CB-O 3.3Å; A787-R791 WeakPolarHBondContact CB-O 3.23Å; A787-R791 PolarHBondContact N-O 3.04Å; D789-R791 VanDerWaalsContact CG-NE 3.27Å; D789-R791 PolarHBondContact O-N 3.24Å; D789-R791 WeakPolarHBondContact OD1-CB 3.41Å; D789-R791 WeakPolarHBondContact OD1-CG 3.38Å; D789-R791 IonicContact OD1-CZ 2.97Å; D789-R791 IonicContact OD1-NE 2.71Å; D789-R791 PolarHBondContact OD1-NE 2.96Å; D789-R791 IonicContact OD1-NH2 3.68Å; D789-R791 IonicContact OD2-CZ 2.69Å; D789-R791 IonicContact OD2-NE 3.16Å; D789-R791 PolarHBondContact OD2-NE 3.2Å; D789-R791 IonicContact OD2-NH2 2.61Å; D789-R791 PolarHBondContact OD2-NH2 2.78Å | ||
| 792 | W | 93.7 | Very high | 91 | Very high | 13 Ų | 13 | 28.1 Ų | 28.1 | 5% | 0.049 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 145 | 178.1 | -66.6 | 81.2 | 0 | 0 | 0 | 112.7 | S763 R764 A767 A769 E772 C774 C775 L784 R786 | S763-W792 WeakPolarHBondContact O-CH2 3.43Å; R764-W792 HydrophobicContact CB-CE3 4.19Å; R764-W792 HydrophobicContact CB-CH2 4.23Å; R764-W792 HydrophobicContact CB-CZ3 3.84Å; R764-W792 HydrophobicContact CG-CZ3 4.49Å; A767-W792 HydrophobicContact CB-CH2 3.9Å; A767-W792 HydrophobicContact CB-CZ2 3.92Å; A769-W792 HydrophobicContact CB-CH2 4.4Å; A769-W792 HydrophobicContact CB-CZ2 3.58Å; E772-W792 HydrophobicContact CB-CB 4.49Å; E772-W792 HydrophobicContact CB-CD2 4.5Å; E772-W792 HydrophobicContact CB-CG 3.89Å; E772-W792 HydrophobicContact CG-CG 4.49Å; C774-W792 WeakPolarHBondContact CA-O 3.39Å; C775-W792 PolarHBondContact N-O 2.62Å; L784-W792 HydrophobicContact CB-CE3 4.21Å; R786-W792 HydrophobicContact CG-CD2 4.12Å; R786-W792 HydrophobicContact CG-CE3 4.1Å; R786-W792 HydrophobicContact CG-CH2 3.58Å; R786-W792 HydrophobicContact CG-CZ2 3.6Å; R786-W792 HydrophobicContact CG-CZ3 3.84Å |
| 793 | V | 94 | Very high | 90.8 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 135.2 | -175 | 178.7 | 0 | 0 | 0 | 0 | 110.1 | L776 L784 Q785 A787 A798 V815 V817 | L776-V793 HydrophobicContact CD1-CG1 3.62Å; L776-V793 HydrophobicContact CD1-CG2 4.34Å; L776-V793 HydrophobicContact CG-CG1 4.18Å; L776-V793 HydrophobicContact CG-CG2 4.32Å; L784-V793 WeakPolarHBondContact CA-O 3.18Å; Q785-V793 PolarHBondContact N-O 2.97Å; Q785-V793 PolarHBondContact O-N 2.91Å; A787-V793 HydrophobicContact CB-CG2 4.01Å; V793-A798 HydrophobicContact CG1-CB 4.02Å; V793-V815 HydrophobicContact CB-CB 4.49Å; V793-V815 HydrophobicContact CB-CG2 4.45Å; V793-V815 HydrophobicContact CG1-CG1 4.31Å; V793-V815 HydrophobicContact CG1-CG2 4.5Å; V793-V817 HydrophobicContact CG2-CG1 3.79Å |
| 794 | H | 94.6 | Very high | 90.5 | Very high | 9 Ų | 9 | 29.4 Ų | 29.4 | 4% | 0.042 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 133.7 | 170.8 | -70.1 | 127.1 | 0 | 0 | 0 | 110.1 | C774 C777 L779 G781 A783 L784 S796 C797 A798 | C774-H794 VanDerWaalsContact CB-CE1 3.42Å; C774-H794 WeakPolarHBondContact CB-CE1 3.45Å; C774-H794 WeakPolarHBondContact CB-ND1 3.43Å; C774-H794 PolarHBondContact SG-N 3.39Å; C774-H794 PolarHBondContact SG-ND1 3.17Å; C777-H794 VanDerWaalsContact SG-CE1 3.6Å; C777-H794 PolarHBondContact SG-ND1 3.1Å; C777-H794 VanDerWaalsContact SG-ND1 3.42Å; L779-H794 PolarHBondContact O-CE1 3.27Å; G781-H794 PolarHBondContact O-NE2 3.01Å; A783-H794 VanDerWaalsContact O-CA 3.3Å; A783-H794 WeakPolarHBondContact O-CA 3.44Å; L784-H794 HydrophobicContact CD2-CB 4.43Å; L784-H794 WeakPolarHBondContact CD2-CD2 3.26Å; H794-S796 PolarHBondContact O-N 3.5Å; H794-C797 HydrophobicContact CB-CB 3.94Å; H794-C797 WeakPolarHBondContact O-CA 3.42Å; H794-C797 WeakPolarHBondContact O-CB 3.41Å; H794-C797 PolarHBondContact O-N 2.99Å; H794-A798 PolarHBondContact O-N 3.39Å |
| 795 | V | 93.7 | Very high | 90.1 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -57.2 | -37.6 | 175.7 | -176.5 | 0 | 0 | 0 | 0 | 110.7 | V669 F710 Y749 A783 Q785 A798 V799 F806 | V669-V795 HydrophobicContact CG1-CB 3.92Å; V669-V795 HydrophobicContact CG1-CG1 3.63Å; V669-V795 HydrophobicContact CG2-CB 4.3Å; V669-V795 HydrophobicContact CG2-CG1 4.39Å; F710-V795 HydrophobicContact CE1-CG1 4Å; Y749-V795 HydrophobicContact CD2-CG2 3.9Å; Y749-V795 HydrophobicContact CE2-CG2 4.03Å; A783-V795 PolarHBondContact O-N 2.82Å; Q785-V795 HydrophobicContact CB-CG2 4.3Å; Q785-V795 HydrophobicContact CG-CG2 3.63Å; V795-A798 PolarHBondContact O-N 3.22Å; V795-V799 WeakPolarHBondContact O-CG2 3.45Å; V795-V799 PolarHBondContact O-N 2.81Å; V795-F806 HydrophobicContact CG1-CE1 4.05Å; V795-F806 HydrophobicContact CG1-CZ 3.88Å |
| 796 | S | 93.1 | Very high | 89.8 | Confident | 9 Ų | 9 | 32.4 Ų | 32.4 | 6% | 0.063 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64.3 | -34.8 | 172.8 | 46 | 0 | 0 | 0 | 0 | 114.3 | I672 H794 A800 | I672-S796 VanDerWaalsContact CG2-CB 3.47Å; H794-S796 PolarHBondContact O-N 3.5Å; S796-A800 PolarHBondContact O-N 3.1Å |
| 797 | C | 92.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -72.8 | -37.4 | 173.6 | -69.8 | 0 | 0 | 0 | 0 | 111.6 | L776 H794 A800 I801 | L776-C797 HydrophobicContact CB-CB 4.18Å; L776-C797 HydrophobicContact CD1-CB 4.42Å; H794-C797 HydrophobicContact CB-CB 3.94Å; H794-C797 WeakPolarHBondContact O-CA 3.42Å; H794-C797 WeakPolarHBondContact O-CB 3.41Å; H794-C797 PolarHBondContact O-N 2.99Å; C797-A800 PolarHBondContact O-N 3.15Å; C797-I801 WeakPolarHBondContact O-CB 3.24Å; C797-I801 WeakPolarHBondContact O-CD1 3.44Å; C797-I801 WeakPolarHBondContact O-CG1 3.42Å; C797-I801 PolarHBondContact O-N 3.01Å; C797-I801 VanDerWaalsContact O-N 3.1Å |
| 798 | A | 92.1 | Very high | 89.2 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -66.4 | -37.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | V793 H794 V795 A804 F806 V815 | V793-A798 HydrophobicContact CG1-CB 4.02Å; H794-A798 PolarHBondContact O-N 3.39Å; V795-A798 PolarHBondContact O-N 3.22Å; A798-A804 HydrophobicContact CB-CB 4.4Å; A798-F806 HydrophobicContact CB-CE1 3.91Å; A798-F806 HydrophobicContact CB-CE2 4.21Å; A798-F806 HydrophobicContact CB-CZ 3.52Å; A798-V815 HydrophobicContact CB-CG1 3.81Å; A798-V815 HydrophobicContact CB-CG2 4.12Å |
| 799 | V | 90.1 | Very high | 89 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -65 | -43.8 | 174 | 165.1 | 0 | 0 | 0 | 0 | 112.2 | I672 C709 F710 V795 F806 V876 | I672-V799 HydrophobicContact CD1-CB 4.3Å; I672-V799 HydrophobicContact CD1-CG1 3.77Å; C709-V799 HydrophobicContact CB-CG1 3.93Å; F710-V799 HydrophobicContact CD1-CG2 3.78Å; F710-V799 HydrophobicContact CE1-CG2 3.64Å; F710-V799 HydrophobicContact CZ-CG2 4.43Å; V795-V799 WeakPolarHBondContact O-CG2 3.45Å; V795-V799 PolarHBondContact O-N 2.81Å; V799-F806 HydrophobicContact CG2-CE2 3.95Å; V799-F806 HydrophobicContact CG2-CZ 4.05Å; V799-V876 HydrophobicContact CG1-CG2 3.84Å |
| 800 | A | 89.9 | Confident | 88.8 | Confident | 4 Ų | 4 | 29.9 Ų | 29.9 | 3% | 0.033 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -85.2 | -11.7 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | S796 C797 V844 V857 V876 | S796-A800 PolarHBondContact O-N 3.1Å; C797-A800 PolarHBondContact O-N 3.15Å; A800-V844 VanDerWaalsContact O-CG1 3.28Å; A800-V844 WeakPolarHBondContact O-CG1 3.49Å; A800-V857 HydrophobicContact CB-CB 4.37Å; A800-V857 HydrophobicContact CB-CG1 3.65Å; A800-V857 HydrophobicContact CB-CG2 3.73Å; A800-V876 HydrophobicContact CB-CB 4.48Å; A800-V876 HydrophobicContact CB-CG1 4.31Å; A800-V876 HydrophobicContact CB-CG2 4.25Å |
| 801 | I | 90 | Very high | 88.9 | Confident | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -101.7 | 100.5 | 175.1 | -65.9 | 164.2 | 0 | 0 | 0 | 108.2 | L776 C797 E803 A804 I820 C842 V844 V857 | L776-I801 HydrophobicContact CB-CD1 3.98Å; L776-I801 HydrophobicContact CD1-CD1 3.77Å; L776-I801 HydrophobicContact CG-CD1 4.39Å; C797-I801 WeakPolarHBondContact O-CB 3.24Å; C797-I801 WeakPolarHBondContact O-CD1 3.44Å; C797-I801 WeakPolarHBondContact O-CG1 3.42Å; C797-I801 PolarHBondContact O-N 3.01Å; C797-I801 VanDerWaalsContact O-N 3.1Å; I801-E803 PolarHBondContact O-N 2.93Å; I801-A804 HydrophobicContact CB-CB 4.33Å; I801-A804 HydrophobicContact CG2-CB 4.28Å; I801-A804 WeakPolarHBondContact O-CB 3.16Å; I801-A804 PolarHBondContact O-N 2.56Å; I801-I820 HydrophobicContact CG2-CD1 4.11Å; I801-I820 HydrophobicContact CG2-CG1 4.17Å; I801-I820 HydrophobicContact CG2-CG2 4.43Å; I801-C842 HydrophobicContact CD1-CB 3.93Å; I801-V844 HydrophobicContact CG1-CG1 3.7Å; I801-V857 HydrophobicContact CD1-CG2 4.3Å; I801-V857 HydrophobicContact CG1-CG2 4.13Å |
| 802 | L | 81.6 | Confident | 88.8 | Confident | 53 Ų | 53 | 24.9 Ų | 24.9 | 28% | 0.277 | 13% | 0.129 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | -25.8 | -173.3 | -55.3 | 176.2 | 0 | 0 | 0 | 114.9 | F874 V875 | L802-F874 HydrophobicContact CD1-CD1 4.12Å; L802-V875 HydrophobicContact CD2-CG2 3.68Å |
| 803 | E | 87.8 | Confident | 88.5 | Confident | 43 Ų | 43 | 25.3 Ų | 25.3 | 20% | 0.201 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | -11.4 | 179.4 | -55.5 | 95.1 | 151.1 | 0 | 0 | 114.3 | I801 I820 P821 R824 | I801-E803 PolarHBondContact O-N 2.93Å; E803-I820 HydrophobicContact CB-CG1 4.24Å; E803-P821 HydrophobicContact CG-CG 4.41Å; E803-R824 VanDerWaalsContact CD-NH2 3.31Å; E803-R824 IonicContact OE1-CZ 3.11Å; E803-R824 IonicContact OE1-NE 3.81Å; E803-R824 PolarHBondContact OE1-NE 3.27Å; E803-R824 IonicContact OE1-NH2 2.8Å; E803-R824 PolarHBondContact OE1-NH2 3.35Å; E803-R824 IonicContact OE2-CZ 2.65Å; E803-R824 VanDerWaalsContact OE2-CZ 3.26Å; E803-R824 IonicContact OE2-NE 2.74Å; E803-R824 PolarHBondContact OE2-NE 3.47Å; E803-R824 IonicContact OE2-NH2 2.73Å; E803-R824 PolarHBondContact OE2-NH2 3.17Å; E803-R824 VanDerWaalsContact OE2-NH2 3.08Å |
| 804 | A | 88.3 | Confident | 88.3 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.15 | C | C | . | . | trans | -80.2 | 145.2 | 167.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | A798 I801 V815 D816 I820 | A798-A804 HydrophobicContact CB-CB 4.4Å; I801-A804 HydrophobicContact CB-CB 4.33Å; I801-A804 HydrophobicContact CG2-CB 4.28Å; I801-A804 WeakPolarHBondContact O-CB 3.16Å; I801-A804 PolarHBondContact O-N 2.56Å; A804-V815 HydrophobicContact CB-CG1 4.19Å; A804-D816 WeakPolarHBondContact CA-O 3.39Å; A804-I820 HydrophobicContact CB-CD1 4.21Å | ||
| 805 | R | 86.8 | Confident | 88.1 | Confident | 72 Ų | 72 | 27.4 Ų | 27.4 | 27% | 0.272 | 15% | 0.148 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 140.9 | -177 | -57.4 | -175.1 | -179.2 | -169.9 | -2.2 | 112.2 | S712 V815 D816 | S712-R805 WeakPolarHBondContact O-CD 3.23Å; S712-R805 PolarHBondContact O-NE 3.48Å; R805-V815 CarbonylContact O-C 3Å; R805-V815 WeakPolarHBondContact O-CA 3.22Å; R805-D816 HydrophobicContact CB-CB 4.4Å; R805-D816 PolarHBondContact N-O 3.02Å; R805-D816 PolarHBondContact O-N 2.6Å |
| 806 | F | 88.1 | Confident | 87.9 | Confident | 2 Ų | 2 | 28 Ų | 28 | 1% | 0.009 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 125.2 | 169.1 | -59.8 | -77.5 | 0 | 0 | 0 | 109.3 | F710 V795 A798 V799 R812 V815 | F710-F806 HydrophobicContact CB-CD2 4.14Å; F710-F806 HydrophobicContact CB-CE2 4.38Å; F710-F806 HydrophobicContact CD1-CD2 4.11Å; F710-F806 AromaticContact CD1-CE2 3.62Å; F710-F806 HydrophobicContact CD1-CE2 3.62Å; F710-F806 AromaticContact CD1-CZ 3.97Å; F710-F806 HydrophobicContact CD1-CZ 3.97Å; F710-F806 HydrophobicContact CE1-CE2 4.49Å; F710-F806 HydrophobicContact CE1-CZ 4.46Å; F710-F806 HydrophobicContact CG-CE2 4.46Å; V795-F806 HydrophobicContact CG1-CE1 4.05Å; V795-F806 HydrophobicContact CG1-CZ 3.88Å; A798-F806 HydrophobicContact CB-CE1 3.91Å; A798-F806 HydrophobicContact CB-CE2 4.21Å; A798-F806 HydrophobicContact CB-CZ 3.52Å; V799-F806 HydrophobicContact CG2-CE2 3.95Å; V799-F806 HydrophobicContact CG2-CZ 4.05Å; F806-R812 VanDerWaalsContact CD1-C 3.48Å; F806-R812 HydrophobicContact CD1-CB 4.19Å; F806-R812 VanDerWaalsContact CD1-O 3.27Å; F806-R812 WeakPolarHBondContact CD1-O 3.22Å; F806-R812 HydrophobicContact CE1-CB 4.3Å; F806-V815 HydrophobicContact CD1-CG2 3.99Å; F806-V815 HydrophobicContact CE1-CG2 3.89Å |
| 807 | V | 85.8 | Confident | 87.8 | Confident | 92 Ų | 92 | 27.9 Ų | 27.9 | 56% | 0.558 | 15% | 0.15 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -76.8 | -44.2 | -177.8 | 177.4 | 0 | 0 | 0 | 0 | 110.8 | P814 D816 | V807-P814 HydrophobicContact CB-CG 4Å; V807-P814 WeakPolarHBondContact CB-O 3.43Å; V807-P814 HydrophobicContact CG2-CG 4.14Å; V807-P814 WeakPolarHBondContact CG2-O 3.27Å; V807-P814 PolarHBondContact N-O 2.76Å; V807-D816 HydrophobicContact CG2-CB 3.96Å |
| 808 | N | 83.6 | Confident | 87.5 | Confident | 61 Ų | 61 | 32 Ų | 32 | 33% | 0.326 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 116.3 | 159.2 | -174.3 | -11 | 0 | 0 | 0 | 108.8 | A810 E811 R812 S813 | N808-A810 PolarHBondContact OD1-N 2.83Å; N808-E811 HydrophobicContact CB-CB 4.19Å; N808-E811 VanDerWaalsContact ND2-CD 3.26Å; N808-E811 VanDerWaalsContact ND2-CG 3.32Å; N808-E811 WeakPolarHBondContact ND2-CG 3.25Å; N808-E811 PolarHBondContact ND2-OE2 3.11Å; N808-E811 PolarHBondContact OD1-N 2.87Å; N808-R812 PolarHBondContact O-N 3.47Å; N808-S813 VanDerWaalsContact CB-O 3.32Å; N808-S813 WeakPolarHBondContact CB-O 3.3Å; N808-S813 PolarHBondContact N-O 2.71Å; N808-S813 PolarHBondContact O-N 3.41Å |
| 809 | I | 82.9 | Confident | 87.2 | Confident | 33 Ų | 33 | 37.2 Ų | 37.2 | 17% | 0.169 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -38.6 | -179.6 | -62.1 | 170.1 | 0 | 0 | 0 | 110.4 | E707 F710 T711 T713 I719 R812 | E707-I809 WeakPolarHBondContact OE1-CG2 3.34Å; F710-I809 HydrophobicContact CB-CG2 4.44Å; T711-I809 HydrophobicContact CG2-CD1 4.36Å; T711-I809 HydrophobicContact CG2-CG2 4.2Å; T713-I809 HydrophobicContact CG2-CD1 4.21Å; I719-I809 HydrophobicContact CD1-CD1 4.47Å; I809-R812 VanDerWaalsContact O-CD 3.24Å; I809-R812 WeakPolarHBondContact O-CD 3.49Å; I809-R812 PolarHBondContact O-N 3.06Å; I809-R812 PolarHBondContact O-NE 3.1Å; I809-R812 PolarHBondContact O-NH1 2.7Å |
| 810 | A | 82 | Confident | 87.1 | Confident | 27 Ų | 27 | 37.8 Ų | 37.8 | 22% | 0.223 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -31.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | P724 Y725 G750 N808 | P724-A810 HydrophobicContact CB-CB 4.01Å; P724-A810 HydrophobicContact CG-CB 3.91Å; Y725-A810 WeakPolarHBondContact CE2-O 3.47Å; G750-A810 WeakPolarHBondContact CA-O 3.24Å; N808-A810 PolarHBondContact OD1-N 2.83Å |
| 811 | E | 84.1 | Confident | 86.8 | Confident | 102 Ų | 102 | 40.2 Ų | 40.2 | 48% | 0.477 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93 | -3.3 | 176.9 | -66.8 | -179.8 | 138.8 | 0 | 0 | 113.1 | N808 S813 | N808-E811 HydrophobicContact CB-CB 4.19Å; N808-E811 VanDerWaalsContact ND2-CD 3.26Å; N808-E811 VanDerWaalsContact ND2-CG 3.32Å; N808-E811 WeakPolarHBondContact ND2-CG 3.25Å; N808-E811 PolarHBondContact ND2-OE2 3.11Å; N808-E811 PolarHBondContact OD1-N 2.87Å; E811-S813 WeakPolarHBondContact O-CB 3.47Å; E811-S813 PolarHBondContact O-N 3.26Å; E811-S813 VanDerWaalsContact O-N 3.1Å |
| 812 | R | 89 | Confident | 86.5 | Confident | 1 Ų | 1 | 46.7 Ų | 46.7 | 0% | 0.004 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 51.7 | 29.6 | -176.5 | -47.4 | -66.6 | -179.7 | -154 | 11.1 | 113 | E707 F710 S747 F806 N808 I809 | E707-R812 IonicContact OE1-CZ 3.21Å; E707-R812 IonicContact OE1-NH1 2.73Å; E707-R812 PolarHBondContact OE1-NH1 3.01Å; E707-R812 IonicContact OE1-NH2 3.96Å; E707-R812 PolarHBondContact OE1-NH2 3.08Å; E707-R812 IonicContact OE2-CZ 2.77Å; E707-R812 IonicContact OE2-NH1 2.7Å; E707-R812 PolarHBondContact OE2-NH1 2.75Å; E707-R812 IonicContact OE2-NH2 3.42Å; E707-R812 PolarHBondContact OE2-NH2 3.18Å; F710-R812 VanDerWaalsContact CB-NH1 3.28Å; F710-R812 VanDerWaalsContact CD2-CZ 3.47Å; S747-R812 VanDerWaalsContact O-CZ 3.29Å; S747-R812 PolarHBondContact O-NE 3.34Å; S747-R812 PolarHBondContact O-NH2 2.78Å; F806-R812 VanDerWaalsContact CD1-C 3.48Å; F806-R812 HydrophobicContact CD1-CB 4.19Å; F806-R812 VanDerWaalsContact CD1-O 3.27Å; F806-R812 WeakPolarHBondContact CD1-O 3.22Å; F806-R812 HydrophobicContact CE1-CB 4.3Å; N808-R812 PolarHBondContact O-N 3.47Å; I809-R812 VanDerWaalsContact O-CD 3.24Å; I809-R812 WeakPolarHBondContact O-CD 3.49Å; I809-R812 PolarHBondContact O-N 3.06Å; I809-R812 PolarHBondContact O-NE 3.1Å; I809-R812 PolarHBondContact O-NH1 2.7Å |
| 813 | S | 88.3 | Confident | 86.6 | Confident | 23 Ų | 23 | 48.5 Ų | 48.5 | 16% | 0.161 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.9 | 150.8 | -166.7 | -154 | 0 | 0 | 0 | 0 | 111.1 | Q785 N808 E811 | Q785-S813 PolarHBondContact OE1-OG 3.29Å; N808-S813 VanDerWaalsContact CB-O 3.32Å; N808-S813 WeakPolarHBondContact CB-O 3.3Å; N808-S813 PolarHBondContact N-O 2.71Å; N808-S813 PolarHBondContact O-N 3.41Å; E811-S813 WeakPolarHBondContact O-CB 3.47Å; E811-S813 PolarHBondContact O-N 3.26Å; E811-S813 VanDerWaalsContact O-N 3.1Å |
| 814 | P | 89.7 | Confident | 86.5 | Confident | 52 Ų | 52 | 48.6 Ų | 48.6 | 34% | 0.338 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | cis | -66.8 | 169.5 | -19.5 | 31.2 | -35.9 | 0 | 0 | 0 | 111.7 | R786 V807 | R786-P814 CarbonylContact O-C 3.52Å; R786-P814 VanDerWaalsContact O-CA 3.23Å; R786-P814 WeakPolarHBondContact O-CA 3.2Å; R786-P814 WeakPolarHBondContact O-CB 3.46Å; V807-P814 HydrophobicContact CB-CG 4Å; V807-P814 WeakPolarHBondContact CB-O 3.43Å; V807-P814 HydrophobicContact CG2-CG 4.14Å; V807-P814 WeakPolarHBondContact CG2-O 3.27Å; V807-P814 PolarHBondContact N-O 2.76Å |
| 815 | V | 90.9 | Very high | 86.4 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 120.1 | 173.8 | -175.2 | 0 | 0 | 0 | 0 | 110.4 | R786 A787 N788 V793 A798 A804 R805 F806 V817 | R786-V815 PolarHBondContact O-N 3.04Å; A787-V815 CarbonylContact C-O 3.56Å; A787-V815 WeakPolarHBondContact CA-O 3.48Å; N788-V815 PolarHBondContact N-O 3.25Å; N788-V815 PolarHBondContact OD1-O 3.17Å; V793-V815 HydrophobicContact CB-CB 4.49Å; V793-V815 HydrophobicContact CB-CG2 4.45Å; V793-V815 HydrophobicContact CG1-CG1 4.31Å; V793-V815 HydrophobicContact CG1-CG2 4.5Å; A798-V815 HydrophobicContact CB-CG1 3.81Å; A798-V815 HydrophobicContact CB-CG2 4.12Å; A804-V815 HydrophobicContact CB-CG1 4.19Å; R805-V815 CarbonylContact O-C 3Å; R805-V815 WeakPolarHBondContact O-CA 3.22Å; F806-V815 HydrophobicContact CD1-CG2 3.99Å; F806-V815 HydrophobicContact CE1-CG2 3.89Å; V815-V817 HydrophobicContact CG1-CG1 4Å; V815-V817 PolarHBondContact O-N 3.34Å |
| 816 | D | 89.1 | Confident | 86.2 | Confident | 12 Ų | 12 | 55.6 Ų | 55.6 | 6% | 0.064 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 111.5 | 166.4 | 178.8 | 18.2 | 0 | 0 | 0 | 110.1 | N788 A804 R805 V807 S818 K819 | N788-D816 PolarHBondContact ND2-OD1 3.01Å; N788-D816 WeakPolarHBondContact OD1-CA 3.22Å; A804-D816 WeakPolarHBondContact CA-O 3.39Å; R805-D816 HydrophobicContact CB-CB 4.4Å; R805-D816 PolarHBondContact N-O 3.02Å; R805-D816 PolarHBondContact O-N 2.6Å; V807-D816 HydrophobicContact CG2-CB 3.96Å; D816-S818 VanDerWaalsContact OD1-CB 3.28Å; D816-S818 WeakPolarHBondContact OD1-CB 3.49Å; D816-S818 PolarHBondContact OD1-N 2.88Å; D816-S818 PolarHBondContact OD1-OG 2.77Å; D816-K819 WeakPolarHBondContact OD2-CD 3.27Å; D816-K819 WeakPolarHBondContact OD2-CE 3.47Å; D816-K819 IonicContact OD2-NZ 3.83Å; D816-K819 PolarHBondContact OD2-NZ 2.94Å |
| 817 | V | 90.3 | Very high | 86.2 | Confident | 7 Ų | 7 | 57.6 Ų | 57.6 | 4% | 0.042 | 31% | 0.311 | C | S | . | . | trans | -105.4 | -2.9 | 174.9 | -64 | 0 | 0 | 0 | 0 | 113.2 | L776 A787 N788 D789 V793 V815 K819 I820 | L776-V817 HydrophobicContact CD1-CG1 4.26Å; L776-V817 HydrophobicContact CD2-CG1 4.48Å; A787-V817 HydrophobicContact CB-CG1 4.39Å; A787-V817 HydrophobicContact CB-CG2 4.1Å; N788-V817 PolarHBondContact OD1-N 2.97Å; N788-V817 VanDerWaalsContact OD1-N 3.17Å; D789-V817 VanDerWaalsContact OD2-CG2 3.28Å; D789-V817 WeakPolarHBondContact OD2-CG2 3.15Å; V793-V817 HydrophobicContact CG2-CG1 3.79Å; V815-V817 HydrophobicContact CG1-CG1 4Å; V815-V817 PolarHBondContact O-N 3.34Å; V817-K819 PolarHBondContact O-N 2.61Å; V817-K819 VanDerWaalsContact O-N 3.13Å; V817-I820 HydrophobicContact CB-CD1 3.87Å; V817-I820 HydrophobicContact CG1-CD1 4.07Å; V817-I820 WeakPolarHBondContact O-CG1 3.46Å; V817-I820 PolarHBondContact O-N 3.37Å | ||
| 818 | S | 86.3 | Confident | 86.2 | Confident | 86 Ų | 86 | 60.7 Ų | 60.7 | 60% | 0.601 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -22.2 | -173.8 | 68.8 | 0 | 0 | 0 | 0 | 114 | D816 | D816-S818 VanDerWaalsContact OD1-CB 3.28Å; D816-S818 WeakPolarHBondContact OD1-CB 3.49Å; D816-S818 PolarHBondContact OD1-N 2.88Å; D816-S818 PolarHBondContact OD1-OG 2.77Å |
| 819 | K | 86.5 | Confident | 86.5 | Confident | 111 Ų | 111 | 58 Ų | 58 | 48% | 0.483 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | -3.8 | -175.4 | -68.2 | 165.6 | -173.9 | 141.5 | 0 | 113.7 | D816 V817 P821 | D816-K819 WeakPolarHBondContact OD2-CD 3.27Å; D816-K819 WeakPolarHBondContact OD2-CE 3.47Å; D816-K819 IonicContact OD2-NZ 3.83Å; D816-K819 PolarHBondContact OD2-NZ 2.94Å; V817-K819 PolarHBondContact O-N 2.61Å; V817-K819 VanDerWaalsContact O-N 3.13Å; K819-P821 VanDerWaalsContact O-CD 3.27Å; K819-P821 WeakPolarHBondContact O-CD 3.15Å |
| 820 | I | 87.3 | Confident | 86.8 | Confident | 11 Ų | 11 | 59.3 Ų | 59.3 | 6% | 0.056 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -71.4 | 117.1 | 179.7 | -57.4 | 174.8 | 0 | 0 | 0 | 109.6 | L776 I801 E803 A804 V817 L822 R824 F825 C842 | L776-I820 HydrophobicContact CD1-CD1 3.93Å; L776-I820 HydrophobicContact CD2-CD1 3.64Å; L776-I820 HydrophobicContact CG-CD1 4.48Å; I801-I820 HydrophobicContact CG2-CD1 4.11Å; I801-I820 HydrophobicContact CG2-CG1 4.17Å; I801-I820 HydrophobicContact CG2-CG2 4.43Å; E803-I820 HydrophobicContact CB-CG1 4.24Å; A804-I820 HydrophobicContact CB-CD1 4.21Å; V817-I820 HydrophobicContact CB-CD1 3.87Å; V817-I820 HydrophobicContact CG1-CD1 4.07Å; V817-I820 WeakPolarHBondContact O-CG1 3.46Å; V817-I820 PolarHBondContact O-N 3.37Å; I820-L822 PolarHBondContact O-N 2.94Å; I820-R824 HydrophobicContact CG2-CB 4.47Å; I820-F825 HydrophobicContact CB-CE2 3.99Å; I820-F825 HydrophobicContact CB-CZ 4.27Å; I820-F825 HydrophobicContact CG2-CD2 4.36Å; I820-F825 HydrophobicContact CG2-CE2 3.47Å; I820-F825 VanDerWaalsContact CG2-CE2 3.47Å; I820-F825 HydrophobicContact CG2-CZ 3.83Å; I820-C842 HydrophobicContact CG2-CB 4.44Å; I820-C842 WeakPolarHBondContact CG2-SG 3.46Å |
| 821 | P | 84.8 | Confident | 86.9 | Confident | 55 Ų | 55 | 59.1 Ų | 59.1 | 36% | 0.357 | 30% | 0.304 | S | S | . | . | trans | -65.5 | 133.3 | -174 | -24 | 35.2 | 0 | 0 | 0 | 113.1 | E803 K819 R824 | E803-P821 HydrophobicContact CG-CG 4.41Å; K819-P821 VanDerWaalsContact O-CD 3.27Å; K819-P821 WeakPolarHBondContact O-CD 3.15Å; P821-R824 WeakPolarHBondContact O-CB 3.26Å; P821-R824 PolarHBondContact O-N 3.08Å | ||
| 822 | L | 83.8 | Confident | 86.9 | Confident | 137 Ų | 137 | 54.7 Ų | 54.7 | 72% | 0.717 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -46.7 | -35.3 | 176.5 | -66.2 | 176.3 | 0 | 0 | 0 | 115.1 | I820 R824 F825 | I820-L822 PolarHBondContact O-N 2.94Å; L822-R824 PolarHBondContact O-N 3.44Å; L822-F825 PolarHBondContact O-N 3.23Å |
| 823 | P | 83.6 | Confident | 86.2 | Confident | 92 Ų | 92 | 61 Ų | 61 | 60% | 0.597 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -56.5 | -30.2 | 173.2 | -29.1 | 37.6 | 0 | 0 | 0 | 115.2 | F825 K826 L827 | P823-F825 VanDerWaalsContact C-N 3.33Å; P823-F825 PolarHBondContact O-N 3.25Å; P823-K826 WeakPolarHBondContact O-CB 3.49Å; P823-K826 PolarHBondContact O-N 2.88Å; P823-K826 VanDerWaalsContact O-N 3.08Å; P823-L827 PolarHBondContact O-N 3.43Å |
| 824 | R | 85.5 | Confident | 84.9 | Confident | 44 Ų | 44 | 66.1 Ų | 66.1 | 17% | 0.166 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -67.3 | -31.5 | 179.5 | -70.1 | -170.6 | 172.2 | -94.8 | 10.5 | 113.6 | E803 I820 P821 L822 K826 L827 C842 C843 | E803-R824 VanDerWaalsContact CD-NH2 3.31Å; E803-R824 IonicContact OE1-CZ 3.11Å; E803-R824 IonicContact OE1-NE 3.81Å; E803-R824 PolarHBondContact OE1-NE 3.27Å; E803-R824 IonicContact OE1-NH2 2.8Å; E803-R824 PolarHBondContact OE1-NH2 3.35Å; E803-R824 IonicContact OE2-CZ 2.65Å; E803-R824 VanDerWaalsContact OE2-CZ 3.26Å; E803-R824 IonicContact OE2-NE 2.74Å; E803-R824 PolarHBondContact OE2-NE 3.47Å; E803-R824 IonicContact OE2-NH2 2.73Å; E803-R824 PolarHBondContact OE2-NH2 3.17Å; E803-R824 VanDerWaalsContact OE2-NH2 3.08Å; I820-R824 HydrophobicContact CG2-CB 4.47Å; P821-R824 WeakPolarHBondContact O-CB 3.26Å; P821-R824 PolarHBondContact O-N 3.08Å; L822-R824 PolarHBondContact O-N 3.44Å; R824-K826 VanDerWaalsContact C-N 3.26Å; R824-L827 WeakPolarHBondContact O-CB 3.3Å; R824-L827 PolarHBondContact O-N 3.24Å; R824-C842 VanDerWaalsContact CB-SG 3.58Å; R824-C843 PolarHBondContact NH1-O 2.88Å; R824-C843 PolarHBondContact O-N 2.85Å |
| 825 | F | 85.3 | Confident | 83.8 | Confident | 53 Ų | 53 | 66.1 Ų | 66.1 | 23% | 0.232 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -75.3 | -15 | 173.9 | -62.5 | -87.5 | 0 | 0 | 0 | 112.5 | L776 I820 L822 P823 G841 C842 | L776-F825 HydrophobicContact CD2-CE1 4.17Å; L776-F825 HydrophobicContact CD2-CZ 4.15Å; I820-F825 HydrophobicContact CB-CE2 3.99Å; I820-F825 HydrophobicContact CB-CZ 4.27Å; I820-F825 HydrophobicContact CG2-CD2 4.36Å; I820-F825 HydrophobicContact CG2-CE2 3.47Å; I820-F825 VanDerWaalsContact CG2-CE2 3.47Å; I820-F825 HydrophobicContact CG2-CZ 3.83Å; L822-F825 PolarHBondContact O-N 3.23Å; P823-F825 VanDerWaalsContact C-N 3.33Å; P823-F825 PolarHBondContact O-N 3.25Å; F825-G841 WeakPolarHBondContact CD1-O 3.33Å; F825-C842 HydrophobicContact CD1-CB 4.11Å; F825-C842 HydrophobicContact CE1-CB 3.78Å; F825-C842 HydrophobicContact CZ-CB 4.09Å |
| 826 | K | 83.4 | Confident | 82.3 | Confident | 167 Ų | 167 | 69.4 Ų | 69.4 | 73% | 0.726 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | -6.8 | 175.3 | -60.6 | -175.5 | 179.5 | -174 | 0 | 113.3 | P823 R824 | P823-K826 WeakPolarHBondContact O-CB 3.49Å; P823-K826 PolarHBondContact O-N 2.88Å; P823-K826 VanDerWaalsContact O-N 3.08Å; R824-K826 VanDerWaalsContact C-N 3.26Å |
| 827 | L | 87.3 | Confident | 80.4 | Confident | 44 Ų | 44 | 76 Ų | 76 | 23% | 0.23 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -72.6 | 143.7 | 177 | -69 | 175.7 | 0 | 0 | 0 | 111.3 | P823 R824 C843 Q845 A854 | P823-L827 PolarHBondContact O-N 3.43Å; R824-L827 WeakPolarHBondContact O-CB 3.3Å; R824-L827 PolarHBondContact O-N 3.24Å; L827-C843 HydrophobicContact CB-CB 3.64Å; L827-C843 HydrophobicContact CD1-CB 3.87Å; L827-C843 HydrophobicContact CG-CB 4.42Å; L827-Q845 HydrophobicContact CD1-CG 3.8Å; L827-A854 HydrophobicContact CB-CB 4.09Å; L827-A854 HydrophobicContact CD1-CB 4.16Å; L827-A854 HydrophobicContact CG-CB 4.5Å |
| 828 | K | 86.6 | Confident | 78.7 | Confident | 156 Ų | 156 | 85.3 Ų | 85.3 | 68% | 0.678 | 40% | 0.399 | S | S | * | . | trans | -99.3 | 104.8 | -179.5 | -63.6 | -170.6 | 179.3 | -172.6 | 0 | 111.2 | I830 | K828-I830 PolarHBondContact O-N 3.42Š| ||
| 829 | C | 89.2 | Confident | 77.2 | Confident | 4 Ų | 4 | 85.5 Ų | 85.5 | 3% | 0.027 | 40% | 0.396 | C | S | . | . | trans | -55.7 | 120.2 | 175.8 | 171.7 | 0 | 0 | 0 | 0 | 111.8 | F831 C832 K833 A854 H856 | C829-F831 PolarHBondContact O-N 2.7Å; C829-F831 VanDerWaalsContact O-N 3.1Å; C829-C832 VanDerWaalsContact CB-SG 3.52Å; C829-C832 PolarHBondContact O-N 3.47Å; C829-K833 WeakPolarHBondContact O-CB 3.18Å; C829-K833 WeakPolarHBondContact O-CG 3.4Å; C829-K833 PolarHBondContact O-N 3.47Å; C829-A854 WeakPolarHBondContact CA-O 3.44Å; C829-H856 PolarHBondContact SG-N 2.74Å; C829-H856 VanDerWaalsContact SG-N 3.39Å | ||
| 830 | I | 88.8 | Confident | 76 | Confident | 61 Ų | 61 | 82.2 Ų | 82.2 | 31% | 0.313 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -24.8 | -174.5 | 57.8 | 157.5 | 0 | 0 | 0 | 114.4 | K828 K833 T853 A854 F855 | K828-I830 PolarHBondContact O-N 3.42Å; I830-K833 VanDerWaalsContact O-CE 3.24Å; I830-K833 WeakPolarHBondContact O-CE 3.39Å; I830-T853 HydrophobicContact CD1-CG2 3.71Å; I830-T853 HydrophobicContact CG1-CG2 4.22Å; I830-T853 HydrophobicContact CG2-CG2 4.14Å; I830-A854 PolarHBondContact N-O 2.86Å; I830-F855 HydrophobicContact CD1-CD1 4.33Å; I830-F855 HydrophobicContact CG1-CB 4.48Å; I830-F855 HydrophobicContact CG1-CD1 4.13Å |
| 831 | F | 85.9 | Confident | 75.6 | Confident | 24 Ų | 24 | 82 Ų | 82 | 11% | 0.105 | 39% | 0.39 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | -42.8 | -176.3 | -59 | -63.3 | 0 | 0 | 0 | 113.1 | W635 C829 F855 C859 A860 A863 V865 F881 | W635-F831 HydrophobicContact CH2-CB 3.75Å; W635-F831 HydrophobicContact CH2-CG 4.39Å; W635-F831 HydrophobicContact CZ2-CB 3.72Å; W635-F831 HydrophobicContact CZ2-CD1 4.04Å; W635-F831 HydrophobicContact CZ2-CG 4.2Å; C829-F831 PolarHBondContact O-N 2.7Å; C829-F831 VanDerWaalsContact O-N 3.1Å; F831-F855 HydrophobicContact CD2-CB 3.73Å; F831-F855 HydrophobicContact CD2-CD1 4.5Å; F831-F855 HydrophobicContact CD2-CG 4.38Å; F831-F855 HydrophobicContact CE2-CB 3.83Å; F831-F855 AromaticContact CE2-CD1 3.78Å; F831-F855 HydrophobicContact CE2-CD1 3.78Å; F831-F855 AromaticContact CE2-CG 3.96Å; F831-F855 HydrophobicContact CE2-CG 3.96Å; F831-C859 HydrophobicContact CB-CB 4.25Å; F831-C859 HydrophobicContact CD2-CB 4.33Å; F831-A860 HydrophobicContact CE2-CB 4.25Å; F831-A863 HydrophobicContact CD1-CB 3.83Å; F831-A863 HydrophobicContact CD2-CB 4.27Å; F831-A863 HydrophobicContact CE1-CB 3.55Å; F831-A863 HydrophobicContact CE2-CB 4.02Å; F831-A863 HydrophobicContact CG-CB 4.19Å; F831-A863 HydrophobicContact CZ-CB 3.66Å; F831-V865 HydrophobicContact CE2-CG2 3.77Å; F831-V865 HydrophobicContact CZ-CG2 3.66Å; F831-F881 HydrophobicContact CE1-CD2 4.44Å; F831-F881 AromaticContact CE1-CE2 3.94Å; F831-F881 HydrophobicContact CE1-CE2 3.94Å; F831-F881 HydrophobicContact CZ-CD2 4.27Å; F831-F881 AromaticContact CZ-CE2 3.73Å; F831-F881 HydrophobicContact CZ-CE2 3.73Å |
| 832 | C | 84.1 | Confident | 75.8 | Confident | 8 Ų | 8 | 79.4 Ų | 79.4 | 5% | 0.054 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | -3.7 | -176.6 | 77.2 | 0 | 0 | 0 | 0 | 114.5 | W643 C829 K834 R835 R836 | W643-C832 HydrophobicContact CH2-CB 4.11Å; W643-C832 HydrophobicContact CZ3-CB 3.69Å; C829-C832 VanDerWaalsContact CB-SG 3.52Å; C829-C832 PolarHBondContact O-N 3.47Å; C832-K834 PolarHBondContact O-N 3.22Å; C832-K834 VanDerWaalsContact O-N 3.09Å; C832-R835 PolarHBondContact O-N 3.19Å; C832-R836 PolarHBondContact O-N 3.19Å |
| 833 | K | 73.6 | Confident | 76.1 | Confident | 134 Ų | 134 | 72.9 Ų | 72.9 | 58% | 0.583 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -24 | 176.3 | 61.4 | 174.4 | -176.1 | 175.8 | 0 | 115.1 | C829 I830 | C829-K833 WeakPolarHBondContact O-CB 3.18Å; C829-K833 WeakPolarHBondContact O-CG 3.4Å; C829-K833 PolarHBondContact O-N 3.47Å; I830-K833 VanDerWaalsContact O-CE 3.24Å; I830-K833 WeakPolarHBondContact O-CE 3.39Å |
| 834 | K | 61.3 | Low | 76.5 | Confident | 131 Ų | 131 | 68.7 Ų | 68.7 | 57% | 0.57 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | -21.8 | 174 | -87.7 | -170.4 | 156.3 | -156.1 | 0 | 112.9 | E630 C832 | E630-K834 IonicContact OE1-NZ 3.96Å; E630-K834 PolarHBondContact OE1-NZ 3.14Å; E630-K834 WeakPolarHBondContact OE2-CE 3.49Å; E630-K834 IonicContact OE2-NZ 3.06Å; E630-K834 PolarHBondContact OE2-NZ 3.33Å; C832-K834 PolarHBondContact O-N 3.22Å; C832-K834 VanDerWaalsContact O-N 3.09Å |
| 835 | R | 65.8 | Low | 76.7 | Confident | 52 Ų | 52 | 70.6 Ų | 70.6 | 20% | 0.196 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.1 | -3.9 | -164.5 | -58.6 | -175.6 | -175.4 | 119.2 | 13.6 | 114.5 | E633 W635 A636 N645 C832 | E633-R835 VanDerWaalsContact CD-NH2 3.29Å; E633-R835 IonicContact OE2-CZ 2.89Å; E633-R835 IonicContact OE2-NH1 3.26Å; E633-R835 IonicContact OE2-NH2 3.65Å; E633-R835 PolarHBondContact OE2-NH2 3.31Å; W635-R835 VanDerWaalsContact CH2-NH1 3.27Å; A636-R835 VanDerWaalsContact CB-NH1 3.33Å; N645-R835 PolarHBondContact ND2-O 2.83Å; C832-R835 PolarHBondContact O-N 3.19Å |
| 836 | R | 59.3 | Low | 77 | Confident | 69 Ų | 69 | 68.3 Ų | 68.3 | 26% | 0.26 | 31% | 0.313 | S | S | . | . | trans | -140.1 | 136.4 | 174.7 | -92.8 | -163 | -179 | -87 | 21 | 111.5 | Q644 N645 C832 | Q644-R836 PolarHBondContact O-NH2 3.2Å; N645-R836 HydrophobicContact CB-CG 4.07Å; C832-R836 PolarHBondContact O-N 3.19Å | ||
| 837 | K | 49.1 | Very low | 77.1 | Confident | 151 Ų | 151 | 61.9 Ų | 61.9 | 66% | 0.657 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -80.8 | -27.8 | 173.4 | -74 | 164.6 | 173.7 | 158.7 | 0 | 113.7 | L623 E627 | L623-K837 VanDerWaalsContact CD2-NZ 3.27Å; E627-K837 VanDerWaalsContact OE1-CE 3.26Å; E627-K837 WeakPolarHBondContact OE1-CE 3.48Å; E627-K837 IonicContact OE1-NZ 2.67Å; E627-K837 PolarHBondContact OE1-NZ 3.21Å; E627-K837 IonicContact OE2-NZ 3.69Å; E627-K837 PolarHBondContact OE2-NZ 3.06Å |
| 838 | R | 54.8 | Low | 76.6 | Confident | 202 Ų | 202 | 63.2 Ų | 63.2 | 76% | 0.762 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -105 | 135.4 | 171.8 | -74.2 | -177.4 | 172.6 | 169.7 | -1.4 | 111.5 | A840 | R838-A840 PolarHBondContact O-N 3.46Å; R838-A840 VanDerWaalsContact O-N 3.15Å |
| 839 | T | 55.7 | Low | 76.1 | Confident | 90 Ų | 90 | 59.4 Ų | 59.4 | 55% | 0.552 | 30% | 0.299 | S | S | * | . | trans | -82.3 | 82.2 | 176 | 48.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 840 | A | 62.1 | Low | 75.4 | Confident | 42 Ų | 42 | 70.6 Ų | 70.6 | 35% | 0.347 | 34% | 0.341 | S | S | . | . | trans | -98.2 | 129.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | S778 R838 H856 | S778-A840 PolarHBondContact OG-O 3.39Å; S778-A840 VanDerWaalsContact OG-O 3.14Å; R838-A840 PolarHBondContact O-N 3.46Å; R838-A840 VanDerWaalsContact O-N 3.15Å; A840-H856 PolarHBondContact O-CE1 3.37Å | ||
| 841 | G | 77.7 | Confident | 75.1 | Confident | 6 Ų | 6 | 68.2 Ų | 68.2 | 6% | 0.062 | 33% | 0.329 | C | S | . | . | S | Bend | trans | 120 | 164.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | F825 | F825-G841 WeakPolarHBondContact CD1-O 3.33Š|
| 842 | C | 88.6 | Confident | 75 | Confident | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 35% | 0.354 | C | S | . | . | trans | -109.4 | 122.6 | 178.1 | 174.8 | 0 | 0 | 0 | 0 | 109.1 | L776 I801 I820 R824 F825 H856 | L776-C842 HydrophobicContact CB-CB 4.37Å; L776-C842 HydrophobicContact CD2-CB 4.08Å; L776-C842 PolarHBondContact O-N 3.12Å; I801-C842 HydrophobicContact CD1-CB 3.93Å; I820-C842 HydrophobicContact CG2-CB 4.44Å; I820-C842 WeakPolarHBondContact CG2-SG 3.46Å; R824-C842 VanDerWaalsContact CB-SG 3.58Å; F825-C842 HydrophobicContact CD1-CB 4.11Å; F825-C842 HydrophobicContact CE1-CB 3.78Å; F825-C842 HydrophobicContact CZ-CB 4.09Å; C842-H856 PolarHBondContact O-CD2 3.15Å | ||
| 843 | C | 90.9 | Very high | 75.3 | Confident | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 36% | 0.356 | C | S | . | . | trans | -85.7 | 140 | 176.3 | -67.2 | 0 | 0 | 0 | 0 | 112.7 | R824 L827 A854 F855 H856 | R824-C843 PolarHBondContact NH1-O 2.88Å; R824-C843 PolarHBondContact O-N 2.85Å; L827-C843 HydrophobicContact CB-CB 3.64Å; L827-C843 HydrophobicContact CD1-CB 3.87Å; L827-C843 HydrophobicContact CG-CB 4.42Å; C843-A854 HydrophobicContact CB-CB 4.01Å; C843-F855 WeakPolarHBondContact CA-O 3.38Å; C843-H856 PolarHBondContact SG-CD2 3.05Å | ||
| 844 | V | 90.8 | Very high | 76.1 | Confident | 5 Ų | 5 | 65.8 Ų | 65.8 | 3% | 0.03 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 163.1 | 155.9 | -66.2 | 0 | 0 | 0 | 0 | 109.6 | A800 I801 A854 F855 V857 I878 | A800-V844 VanDerWaalsContact O-CG1 3.28Å; A800-V844 WeakPolarHBondContact O-CG1 3.49Å; I801-V844 HydrophobicContact CG1-CG1 3.7Å; V844-A854 VanDerWaalsContact O-CA 3.27Å; V844-A854 WeakPolarHBondContact O-CA 3.27Å; V844-F855 HydrophobicContact CG2-CD2 3.62Å; V844-F855 HydrophobicContact CG2-CE2 3.65Å; V844-F855 VanDerWaalsContact CG2-O 3.29Å; V844-F855 WeakPolarHBondContact CG2-O 3.49Å; V844-F855 PolarHBondContact N-O 2.87Å; V844-F855 PolarHBondContact O-N 2.98Å; V844-V857 HydrophobicContact CG1-CG2 3.9Å; V844-V857 HydrophobicContact CG2-CG2 4.07Å; V844-I878 HydrophobicContact CB-CD1 4.01Å; V844-I878 HydrophobicContact CG1-CD1 4.47Å; V844-I878 HydrophobicContact CG2-CD1 3.76Å |
| 845 | Q | 91 | Very high | 77.6 | Confident | 83 Ų | 83 | 59.6 Ų | 59.6 | 39% | 0.388 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 157.3 | 178.3 | -63.1 | -171.9 | -102.9 | 0 | 0 | 109.9 | L827 S847 T853 A854 | L827-Q845 HydrophobicContact CD1-CG 3.8Å; Q845-S847 PolarHBondContact O-N 3.48Å; Q845-T853 WeakPolarHBondContact CA-O 3.5Å; Q845-A854 HydrophobicContact CG-CB 4Å |
| 846 | C | 90.3 | Very high | 78.8 | Confident | 6 Ų | 6 | 57.5 Ų | 57.5 | 4% | 0.041 | 30% | 0.295 | C | S | . | . | trans | -67.8 | 125 | 176.8 | 176.8 | 0 | 0 | 0 | 0 | 111.7 | H848 C851 T853 I878 C880 | C846-H848 PolarHBondContact O-N 2.84Å; C846-C851 HydrophobicContact CB-CB 3.81Å; C846-T853 PolarHBondContact N-O 2.99Å; C846-T853 VanDerWaalsContact N-O 3.09Å; C846-I878 CarbonylContact C-O 3.47Å; C846-I878 WeakPolarHBondContact CA-O 3.45Å; C846-I878 PolarHBondContact SG-O 3.33Å; C846-I878 VanDerWaalsContact SG-O 3.37Å; C846-C880 HydrophobicContact CB-CB 3.87Å; C846-C880 PolarHBondContact SG-N 3.33Å | ||
| 847 | S | 85.7 | Confident | 80.4 | Confident | 31 Ų | 31 | 54.2 Ų | 54.2 | 22% | 0.217 | 28% | 0.283 | C | S | . | . | trans | -68.1 | -13.2 | -174.5 | -50.2 | 0 | 0 | 0 | 0 | 114.3 | Q845 G849 I878 | Q845-S847 PolarHBondContact O-N 3.48Å; S847-G849 PolarHBondContact O-N 3.36Å; S847-I878 PolarHBondContact N-O 3.3Å; S847-I878 PolarHBondContact OG-N 3Å | ||
| 848 | H | 78.3 | Confident | 82.4 | Confident | 72 Ų | 72 | 47.5 Ų | 47.5 | 33% | 0.333 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -73.1 | 94.5 | 178.7 | -91.4 | 84.7 | 0 | 0 | 0 | 112.6 | C846 C851 F877 T879 H883 | C846-H848 PolarHBondContact O-N 2.84Å; H848-C851 WeakPolarHBondContact O-CB 3.5Å; H848-C851 PolarHBondContact O-N 2.84Å; H848-F877 AromaticContact CE1-CE1 3.65Å; H848-F877 AromaticContact CE1-CZ 3.9Å; H848-F877 AromaticContact ND1-CE1 3.5Å; H848-F877 WeakPolarHBondContact ND1-CE1 3.3Å; H848-F877 AromaticContact ND1-CZ 3.62Å; H848-T879 PolarHBondContact CE1-OG1 3.46Å; H848-T879 VanDerWaalsContact CE1-OG1 3.29Å; H848-T879 PolarHBondContact ND1-OG1 3.37Å; H848-H883 HydrophobicContact CB-CB 3.95Å; H848-H883 WeakPolarHBondContact CB-ND1 3.49Å |
| 849 | G | 75.8 | Confident | 84.1 | Confident | 76 Ų | 76 | 37.9 Ų | 37.9 | 78% | 0.784 | 22% | 0.219 | S | C | * | . | S | Bend | trans | 68.7 | -130.2 | 168.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | S847 | S847-G849 PolarHBondContact O-N 3.36Š|
| 850 | R | 74.1 | Confident | 85.7 | Confident | 239 Ų | 239 | 33.6 Ų | 33.6 | 90% | 0.902 | 19% | 0.192 | S | C | * | . | S | Bend | trans | -100.1 | 45.3 | 175.2 | -63.7 | -171.7 | -176.2 | 179.3 | 3.2 | 111.7 | P852 | R850-P852 VanDerWaalsContact O-CD 3.29Å; R850-P852 WeakPolarHBondContact O-CD 3.42Å |
| 851 | C | 81.6 | Confident | 87.1 | Confident | 11 Ų | 11 | 33.5 Ų | 33.5 | 7% | 0.074 | 19% | 0.185 | C | C | . | . | trans | -70.5 | 118.8 | -178.8 | -162.7 | 0 | 0 | 0 | 0 | 111.4 | C846 H848 T853 H883 | C846-C851 HydrophobicContact CB-CB 3.81Å; H848-C851 WeakPolarHBondContact O-CB 3.5Å; H848-C851 PolarHBondContact O-N 2.84Å; C851-T853 PolarHBondContact O-N 2.73Å; C851-H883 VanDerWaalsContact SG-CE1 3.5Å | ||
| 852 | P | 85.5 | Confident | 87.5 | Confident | 97 Ų | 97 | 34.6 Ų | 34.6 | 63% | 0.63 | 19% | 0.193 | S | C | * | . | trans | -78.9 | -1.8 | 176.7 | 34 | -36.5 | 0 | 0 | 0 | 112.8 | R850 A854 | R850-P852 VanDerWaalsContact O-CD 3.29Å; R850-P852 WeakPolarHBondContact O-CD 3.42Å; P852-A854 PolarHBondContact O-N 2.65Å | ||
| 853 | T | 88.8 | Confident | 87.5 | Confident | 15 Ų | 15 | 35.5 Ų | 35.5 | 9% | 0.092 | 20% | 0.2 | C | C | . | . | trans | -69.2 | 117.2 | -178.7 | -62.9 | 0 | 0 | 0 | 0 | 110.6 | I830 Q845 C846 C851 F855 C880 | I830-T853 HydrophobicContact CD1-CG2 3.71Å; I830-T853 HydrophobicContact CG1-CG2 4.22Å; I830-T853 HydrophobicContact CG2-CG2 4.14Å; Q845-T853 WeakPolarHBondContact CA-O 3.5Å; C846-T853 PolarHBondContact N-O 2.99Å; C846-T853 VanDerWaalsContact N-O 3.09Å; C851-T853 PolarHBondContact O-N 2.73Å; T853-F855 HydrophobicContact CG2-CD1 4.08Å; T853-F855 HydrophobicContact CG2-CE1 3.9Å; T853-C880 HydrophobicContact CG2-CB 3.83Å | ||
| 854 | A | 91.3 | Very high | 87.3 | Confident | 4 Ų | 4 | 37.1 Ų | 37.1 | 3% | 0.033 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 151 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L827 C829 I830 C843 V844 Q845 P852 | L827-A854 HydrophobicContact CB-CB 4.09Å; L827-A854 HydrophobicContact CD1-CB 4.16Å; L827-A854 HydrophobicContact CG-CB 4.5Å; C829-A854 WeakPolarHBondContact CA-O 3.44Å; I830-A854 PolarHBondContact N-O 2.86Å; C843-A854 HydrophobicContact CB-CB 4.01Å; V844-A854 VanDerWaalsContact O-CA 3.27Å; V844-A854 WeakPolarHBondContact O-CA 3.27Å; Q845-A854 HydrophobicContact CG-CB 4Å; P852-A854 PolarHBondContact O-N 2.65Å |
| 855 | F | 92.1 | Very high | 87.2 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.2 | 156 | 178.6 | 34.5 | -111 | 0 | 0 | 0 | 112 | I830 F831 C843 V844 T853 A860 V865 I878 C880 | I830-F855 HydrophobicContact CD1-CD1 4.33Å; I830-F855 HydrophobicContact CG1-CB 4.48Å; I830-F855 HydrophobicContact CG1-CD1 4.13Å; F831-F855 HydrophobicContact CD2-CB 3.73Å; F831-F855 HydrophobicContact CD2-CD1 4.5Å; F831-F855 HydrophobicContact CD2-CG 4.38Å; F831-F855 HydrophobicContact CE2-CB 3.83Å; F831-F855 AromaticContact CE2-CD1 3.78Å; F831-F855 HydrophobicContact CE2-CD1 3.78Å; F831-F855 AromaticContact CE2-CG 3.96Å; F831-F855 HydrophobicContact CE2-CG 3.96Å; C843-F855 WeakPolarHBondContact CA-O 3.38Å; V844-F855 HydrophobicContact CG2-CD2 3.62Å; V844-F855 HydrophobicContact CG2-CE2 3.65Å; V844-F855 VanDerWaalsContact CG2-O 3.29Å; V844-F855 WeakPolarHBondContact CG2-O 3.49Å; V844-F855 PolarHBondContact N-O 2.87Å; V844-F855 PolarHBondContact O-N 2.98Å; T853-F855 HydrophobicContact CG2-CD1 4.08Å; T853-F855 HydrophobicContact CG2-CE1 3.9Å; F855-A860 HydrophobicContact CB-CB 4.17Å; F855-A860 HydrophobicContact CD2-CB 3.39Å; F855-A860 HydrophobicContact CE2-CB 3.92Å; F855-A860 HydrophobicContact CG-CB 3.77Å; F855-V865 HydrophobicContact CE1-CG1 4.46Å; F855-V865 HydrophobicContact CE2-CG1 4.5Å; F855-V865 HydrophobicContact CZ-CG1 4.07Å; F855-I878 HydrophobicContact CE2-CG2 3.65Å; F855-I878 HydrophobicContact CZ-CG2 3.62Å; F855-C880 HydrophobicContact CE1-CB 3.85Å; F855-C880 HydrophobicContact CZ-CB 4.42Å |
| 856 | H | 92.2 | Very high | 86.9 | Confident | 8 Ų | 8 | 33.9 Ų | 33.9 | 4% | 0.037 | 20% | 0.202 | C | C | . | . | trans | -71.9 | 145.2 | 166.3 | -59.7 | 151.7 | 0 | 0 | 0 | 109.8 | C777 S778 C829 A840 C842 C843 S858 C859 A860 | C777-H856 HydrophobicContact CB-CB 4.16Å; S778-H856 PolarHBondContact OG-CE1 2.75Å; S778-H856 VanDerWaalsContact OG-CE1 3.22Å; S778-H856 PolarHBondContact OG-ND1 2.9Å; S778-H856 VanDerWaalsContact OG-ND1 3.08Å; C829-H856 PolarHBondContact SG-N 2.74Å; C829-H856 VanDerWaalsContact SG-N 3.39Å; A840-H856 PolarHBondContact O-CE1 3.37Å; C842-H856 PolarHBondContact O-CD2 3.15Å; C843-H856 PolarHBondContact SG-CD2 3.05Å; H856-S858 PolarHBondContact O-N 3.48Å; H856-C859 HydrophobicContact CB-CB 4.14Å; H856-C859 PolarHBondContact O-N 3.18Å; H856-A860 WeakPolarHBondContact O-CB 3.25Å; H856-A860 PolarHBondContact O-N 3.29Å | ||
| 857 | V | 92 | Very high | 86.8 | Confident | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.006 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -55.7 | -52.9 | -175.3 | -178.3 | 0 | 0 | 0 | 0 | 111.7 | A800 I801 V844 C859 A860 Q861 M867 | A800-V857 HydrophobicContact CB-CB 4.37Å; A800-V857 HydrophobicContact CB-CG1 3.65Å; A800-V857 HydrophobicContact CB-CG2 3.73Å; I801-V857 HydrophobicContact CD1-CG2 4.3Å; I801-V857 HydrophobicContact CG1-CG2 4.13Å; V844-V857 HydrophobicContact CG1-CG2 3.9Å; V844-V857 HydrophobicContact CG2-CG2 4.07Å; V857-C859 PolarHBondContact O-N 3.33Å; V857-A860 PolarHBondContact O-N 2.83Å; V857-A860 VanDerWaalsContact O-N 3.14Å; V857-Q861 PolarHBondContact O-N 3.26Å; V857-M867 HydrophobicContact CG1-CE 4.31Å; V857-M867 HydrophobicContact CG1-SD 4.38Å |
| 858 | S | 90.8 | Very high | 86.7 | Confident | 9 Ų | 9 | 33.9 Ų | 33.9 | 6% | 0.063 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.3 | -35.7 | 178.9 | 56 | 0 | 0 | 0 | 0 | 113.4 | C777 H856 A860 A862 | C777-S858 VanDerWaalsContact CB-OG 3.23Å; C777-S858 WeakPolarHBondContact CB-OG 3.42Å; C777-S858 PolarHBondContact SG-OG 2.74Å; H856-S858 PolarHBondContact O-N 3.48Å; S858-A860 VanDerWaalsContact C-N 3.32Å; S858-A860 PolarHBondContact O-N 2.8Å; S858-A862 WeakPolarHBondContact O-CB 3.31Å; S858-A862 PolarHBondContact O-N 3.09Å |
| 859 | C | 90.4 | Very high | 86.9 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -66.4 | -34.5 | 173.9 | -65.7 | 0 | 0 | 0 | 0 | 112.3 | F831 H856 V857 A863 | F831-C859 HydrophobicContact CB-CB 4.25Å; F831-C859 HydrophobicContact CD2-CB 4.33Å; H856-C859 HydrophobicContact CB-CB 4.14Å; H856-C859 PolarHBondContact O-N 3.18Å; V857-C859 PolarHBondContact O-N 3.33Å; C859-A863 VanDerWaalsContact O-CB 3.26Å; C859-A863 WeakPolarHBondContact O-CB 3.38Å; C859-A863 PolarHBondContact O-N 3.26Å |
| 860 | A | 90.3 | Very high | 86.9 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -77 | -41.5 | 179 | 0 | 0 | 0 | 0 | 0 | 112 | F831 F855 H856 V857 S858 A863 G864 V865 M867 | F831-A860 HydrophobicContact CE2-CB 4.25Å; F855-A860 HydrophobicContact CB-CB 4.17Å; F855-A860 HydrophobicContact CD2-CB 3.39Å; F855-A860 HydrophobicContact CE2-CB 3.92Å; F855-A860 HydrophobicContact CG-CB 3.77Å; H856-A860 WeakPolarHBondContact O-CB 3.25Å; H856-A860 PolarHBondContact O-N 3.29Å; V857-A860 PolarHBondContact O-N 2.83Å; V857-A860 VanDerWaalsContact O-N 3.14Å; S858-A860 VanDerWaalsContact C-N 3.32Å; S858-A860 PolarHBondContact O-N 2.8Å; A860-A863 PolarHBondContact O-N 3.03Å; A860-G864 PolarHBondContact O-N 3.22Å; A860-V865 HydrophobicContact CB-CB 3.91Å; A860-V865 HydrophobicContact CB-CG1 4.39Å; A860-V865 HydrophobicContact CB-CG2 3.79Å; A860-V865 VanDerWaalsContact O-CB 3.27Å; A860-V865 WeakPolarHBondContact O-CB 3.26Å; A860-V865 WeakPolarHBondContact O-CG2 3.27Å; A860-V865 PolarHBondContact O-N 3.2Å; A860-M867 HydrophobicContact CB-CE 3.43Å; A860-M867 VanDerWaalsContact CB-CE 3.43Å |
| 861 | Q | 90.1 | Very high | 86.1 | Confident | 41 Ų | 41 | 24.9 Ų | 24.9 | 19% | 0.192 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -56.4 | -52 | 169.5 | -178.6 | -131.2 | -31.7 | 0 | 0 | 110.6 | M660 V857 A863 G864 | M660-Q861 VanDerWaalsContact CE-NE2 3.34Å; V857-Q861 PolarHBondContact O-N 3.26Å; Q861-A863 VanDerWaalsContact C-N 3.3Å; Q861-A863 PolarHBondContact O-N 3.41Å; Q861-G864 PolarHBondContact O-N 2.9Å |
| 862 | A | 87.8 | Confident | 84.3 | Confident | 29 Ų | 29 | 32.8 Ų | 32.8 | 24% | 0.24 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -58.2 | -37.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | W635 L639 S858 G864 | W635-A862 HydrophobicContact CE3-CB 3.88Å; W635-A862 HydrophobicContact CZ3-CB 3.85Å; L639-A862 HydrophobicContact CD1-CB 3.44Å; L639-A862 VanDerWaalsContact CD1-CB 3.44Å; S858-A862 WeakPolarHBondContact O-CB 3.31Å; S858-A862 PolarHBondContact O-N 3.09Å; A862-G864 VanDerWaalsContact C-N 3.27Å; A862-G864 PolarHBondContact O-N 3.15Å |
| 863 | A | 87.4 | Confident | 82.4 | Confident | 18 Ų | 18 | 31.2 Ų | 31.2 | 15% | 0.149 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -6.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | W635 F831 C859 A860 Q861 F881 | W635-A863 HydrophobicContact CD2-CB 4.02Å; W635-A863 HydrophobicContact CE3-CB 4.14Å; W635-A863 HydrophobicContact CG-CB 4.45Å; W635-A863 HydrophobicContact CZ3-CB 4.49Å; F831-A863 HydrophobicContact CD1-CB 3.83Å; F831-A863 HydrophobicContact CD2-CB 4.27Å; F831-A863 HydrophobicContact CE1-CB 3.55Å; F831-A863 HydrophobicContact CE2-CB 4.02Å; F831-A863 HydrophobicContact CG-CB 4.19Å; F831-A863 HydrophobicContact CZ-CB 3.66Å; C859-A863 VanDerWaalsContact O-CB 3.26Å; C859-A863 WeakPolarHBondContact O-CB 3.38Å; C859-A863 PolarHBondContact O-N 3.26Å; A860-A863 PolarHBondContact O-N 3.03Å; Q861-A863 VanDerWaalsContact C-N 3.3Å; Q861-A863 PolarHBondContact O-N 3.41Å; A863-F881 HydrophobicContact CB-CE2 4.48Å; A863-F881 VanDerWaalsContact O-CZ 3.3Å; A863-F881 WeakPolarHBondContact O-CZ 3.36Å |
| 864 | G | 86.9 | Confident | 80.9 | Confident | 35 Ų | 35 | 35.2 Ų | 35.2 | 36% | 0.361 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81.2 | 26.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | A860 Q861 A862 F881 | A860-G864 PolarHBondContact O-N 3.22Å; Q861-G864 PolarHBondContact O-N 2.9Å; A862-G864 VanDerWaalsContact C-N 3.27Å; A862-G864 PolarHBondContact O-N 3.15Å; G864-F881 WeakPolarHBondContact O-CE1 3.29Å |
| 865 | V | 88.4 | Confident | 80 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.191 | C | C | . | . | trans | -65.2 | 139.5 | 172.7 | 178.1 | 0 | 0 | 0 | 0 | 109.5 | T675 F831 F855 A860 M867 I878 T879 F881 | T675-V865 PolarHBondContact OG1-O 2.86Å; T675-V865 VanDerWaalsContact OG1-O 3.1Å; F831-V865 HydrophobicContact CE2-CG2 3.77Å; F831-V865 HydrophobicContact CZ-CG2 3.66Å; F855-V865 HydrophobicContact CE1-CG1 4.46Å; F855-V865 HydrophobicContact CE2-CG1 4.5Å; F855-V865 HydrophobicContact CZ-CG1 4.07Å; A860-V865 HydrophobicContact CB-CB 3.91Å; A860-V865 HydrophobicContact CB-CG1 4.39Å; A860-V865 HydrophobicContact CB-CG2 3.79Å; A860-V865 VanDerWaalsContact O-CB 3.27Å; A860-V865 WeakPolarHBondContact O-CB 3.26Å; A860-V865 WeakPolarHBondContact O-CG2 3.27Å; A860-V865 PolarHBondContact O-N 3.2Å; V865-M867 PolarHBondContact O-N 2.9Å; V865-I878 HydrophobicContact CG1-CG2 3.68Å; V865-T879 WeakPolarHBondContact CG1-O 3.17Å; V865-F881 HydrophobicContact CG2-CE2 3.89Å; V865-F881 HydrophobicContact CG2-CZ 3.84Å | ||
| 866 | M | 84.4 | Confident | 79.6 | Confident | 19 Ų | 19 | 35.9 Ų | 35.9 | 9% | 0.094 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 115.7 | 176.7 | 179.2 | 174 | -86.2 | 0 | 0 | 109.7 | V679 T879 | V679-M866 HydrophobicContact CB-CE 4.25Å; V679-M866 HydrophobicContact CG1-CE 4.06Å; V679-M866 HydrophobicContact CG2-CE 4.05Å; M866-T879 PolarHBondContact O-N 2.82Å |
| 867 | M | 89 | Confident | 79.3 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 136.1 | 168.6 | -52.4 | -173.1 | -169.8 | 0 | 0 | 108.1 | F673 Y676 V857 A860 V865 V876 F877 I878 | F673-M867 HydrophobicContact CD1-CB 4.29Å; F673-M867 HydrophobicContact CE1-CB 4.48Å; Y676-M867 WeakPolarHBondContact CB-O 3.44Å; V857-M867 HydrophobicContact CG1-CE 4.31Å; V857-M867 HydrophobicContact CG1-SD 4.38Å; A860-M867 HydrophobicContact CB-CE 3.43Å; A860-M867 VanDerWaalsContact CB-CE 3.43Å; V865-M867 PolarHBondContact O-N 2.9Å; M867-V876 HydrophobicContact CB-CG1 4.07Å; M867-F877 WeakPolarHBondContact CA-O 3.31Å; M867-I878 HydrophobicContact CG-CG1 4.12Å; M867-I878 HydrophobicContact CG-CG2 3.99Å; M867-I878 HydrophobicContact SD-CD1 4.37Å |
| 868 | Q | 84.4 | Confident | 79.2 | Confident | 38 Ų | 38 | 37.5 Ų | 37.5 | 18% | 0.178 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 152.7 | 179.3 | 63.8 | -176.3 | 72.7 | 0 | 0 | 110.4 | F673 Y676 V876 F877 | F673-Q868 VanDerWaalsContact CE1-C 3.45Å; Y676-Q868 HydrophobicContact CD1-CB 3.88Å; Y676-Q868 HydrophobicContact CD2-CB 3.32Å; Y676-Q868 HydrophobicContact CD2-CG 4.32Å; Y676-Q868 HydrophobicContact CE1-CB 4.05Å; Y676-Q868 HydrophobicContact CE2-CB 3.46Å; Y676-Q868 VanDerWaalsContact CE2-CB 3.46Å; Y676-Q868 HydrophobicContact CE2-CG 4.21Å; Y676-Q868 HydrophobicContact CG-CB 3.51Å; Q868-V876 WeakPolarHBondContact O-CA 3.44Å; Q868-F877 HydrophobicContact CG-CB 3.89Å; Q868-F877 HydrophobicContact CG-CD1 4.46Å; Q868-F877 PolarHBondContact N-O 2.79Å; Q868-F877 PolarHBondContact O-N 3.02Å |
| 869 | P | 81.3 | Confident | 79 | Confident | 32 Ų | 32 | 37.5 Ų | 37.5 | 21% | 0.208 | 20% | 0.199 | C | C | . | . | trans | -58.4 | 144 | 157.8 | -14.1 | 28.6 | 0 | 0 | 0 | 109.4 | F673 P706 | F673-P869 HydrophobicContact CD1-CG 4.41Å; F673-P869 HydrophobicContact CD2-CG 3.97Å; F673-P869 HydrophobicContact CE1-CG 4.24Å; F673-P869 HydrophobicContact CE2-CG 3.77Å; F673-P869 HydrophobicContact CG-CG 4.27Å; F673-P869 HydrophobicContact CZ-CB 4.43Å; F673-P869 HydrophobicContact CZ-CG 3.91Å; P706-P869 HydrophobicContact CG-CB 3.97Å; P706-P869 HydrophobicContact CG-CG 4.06Å | ||
| 870 | D | 75.6 | Confident | 78.9 | Confident | 67 Ų | 67 | 37.6 Ų | 37.6 | 36% | 0.358 | 20% | 0.2 | S | C | . | . | trans | -154.8 | 164.8 | 176.5 | -174.2 | 21.1 | 0 | 0 | 0 | 108.4 | F874 V875 F877 | D870-F874 WeakPolarHBondContact CB-O 3.5Å; D870-V875 WeakPolarHBondContact O-CA 3.43Å; D870-F877 HydrophobicContact CB-CB 3.52Å; D870-F877 WeakPolarHBondContact OD2-CB 3.37Å; D870-F877 WeakPolarHBondContact OD2-CD2 3.48Å | ||
| 871 | D | 57.4 | Low | 78.6 | Confident | 98 Ų | 98 | 42.4 Ų | 42.4 | 52% | 0.524 | 22% | 0.221 | S | C | . | . | trans | -69.8 | 157.8 | -173.2 | -81.6 | -34.7 | 0 | 0 | 0 | 113.2 | F874 | D871-F874 CarbonylContact O-C 3.52Å; D871-F874 PolarHBondContact O-N 3.33Å | ||
| 872 | W | 44 | Very low | 78.1 | Confident | 177 Ų | 177 | 49.1 Ų | 49.1 | 67% | 0.67 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | 129.6 | 173.5 | -172.1 | 95.9 | 0 | 0 | 0 | 110.4 | ||
| 873 | P | 44.9 | Very low | 77.5 | Confident | 65 Ų | 65 | 50.4 Ų | 50.4 | 42% | 0.422 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -96.1 | 6.6 | 20.7 | 37.4 | -37.6 | 0 | 0 | 0 | 116.6 | ||
| 874 | F | 58.8 | Low | 76.4 | Confident | 98 Ų | 98 | 53.7 Ų | 53.7 | 43% | 0.43 | 26% | 0.256 | S | S | . | . | trans | -111.1 | 60.6 | -173.4 | -62.5 | -71.6 | 0 | 0 | 0 | 112.5 | L802 D870 D871 V876 F877 | L802-F874 HydrophobicContact CD1-CD1 4.12Å; D870-F874 WeakPolarHBondContact CB-O 3.5Å; D871-F874 CarbonylContact O-C 3.52Å; D871-F874 PolarHBondContact O-N 3.33Å; F874-V876 CarbonylContact O-C 3.59Å; F874-V876 VanDerWaalsContact O-C 3.23Å; F874-V876 WeakPolarHBondContact O-CA 3.26Å; F874-V876 PolarHBondContact O-N 3.2Å; F874-F877 PolarHBondContact O-N 2.89Å | ||
| 875 | V | 71.7 | Confident | 74.6 | Confident | 12 Ų | 12 | 57 Ų | 57 | 7% | 0.073 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -52.9 | -14 | -177.1 | -59.9 | 0 | 0 | 0 | 0 | 115.9 | C709 L802 D870 | C709-V875 PolarHBondContact SG-O 3.26Å; L802-V875 HydrophobicContact CD2-CG2 3.68Å; D870-V875 WeakPolarHBondContact O-CA 3.43Å |
| 876 | V | 83.1 | Confident | 72.4 | Confident | 6 Ų | 6 | 61.6 Ų | 61.6 | 4% | 0.036 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -131 | 114.2 | 159.1 | 179.9 | 0 | 0 | 0 | 0 | 108.8 | F673 V799 A800 M867 Q868 F874 I878 | F673-V876 HydrophobicContact CE1-CG1 4.09Å; F673-V876 HydrophobicContact CE1-CG2 4.12Å; F673-V876 HydrophobicContact CZ-CG2 3.94Å; V799-V876 HydrophobicContact CG1-CG2 3.84Å; A800-V876 HydrophobicContact CB-CB 4.48Å; A800-V876 HydrophobicContact CB-CG1 4.31Å; A800-V876 HydrophobicContact CB-CG2 4.25Å; M867-V876 HydrophobicContact CB-CG1 4.07Å; Q868-V876 WeakPolarHBondContact O-CA 3.44Å; F874-V876 CarbonylContact O-C 3.59Å; F874-V876 VanDerWaalsContact O-C 3.23Å; F874-V876 WeakPolarHBondContact O-CA 3.26Å; F874-V876 PolarHBondContact O-N 3.2Å; V876-I878 HydrophobicContact CG1-CD1 4Å; V876-I878 HydrophobicContact CG1-CG1 3.67Å |
| 877 | F | 85.9 | Confident | 70.1 | Confident | 40 Ų | 40 | 66.8 Ų | 66.8 | 18% | 0.175 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 131.4 | 171.5 | -171.3 | -83.7 | 0 | 0 | 0 | 110.4 | H848 M867 Q868 D870 F874 T879 | H848-F877 AromaticContact CE1-CE1 3.65Å; H848-F877 AromaticContact CE1-CZ 3.9Å; H848-F877 AromaticContact ND1-CE1 3.5Å; H848-F877 WeakPolarHBondContact ND1-CE1 3.3Å; H848-F877 AromaticContact ND1-CZ 3.62Å; M867-F877 WeakPolarHBondContact CA-O 3.31Å; Q868-F877 HydrophobicContact CG-CB 3.89Å; Q868-F877 HydrophobicContact CG-CD1 4.46Å; Q868-F877 PolarHBondContact N-O 2.79Å; Q868-F877 PolarHBondContact O-N 3.02Å; D870-F877 HydrophobicContact CB-CB 3.52Å; D870-F877 WeakPolarHBondContact OD2-CB 3.37Å; D870-F877 WeakPolarHBondContact OD2-CD2 3.48Å; F874-F877 PolarHBondContact O-N 2.89Å; F877-T879 WeakPolarHBondContact CE1-OG1 3.48Å |
| 878 | I | 89.6 | Confident | 67.7 | Low | 4 Ų | 4 | 71.5 Ų | 71.5 | 2% | 0.021 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 122.4 | -169.2 | -48.8 | 177 | 0 | 0 | 0 | 111.8 | V844 C846 S847 F855 V865 M867 V876 | V844-I878 HydrophobicContact CB-CD1 4.01Å; V844-I878 HydrophobicContact CG1-CD1 4.47Å; V844-I878 HydrophobicContact CG2-CD1 3.76Å; C846-I878 CarbonylContact C-O 3.47Å; C846-I878 WeakPolarHBondContact CA-O 3.45Å; C846-I878 PolarHBondContact SG-O 3.33Å; C846-I878 VanDerWaalsContact SG-O 3.37Å; S847-I878 PolarHBondContact N-O 3.3Å; S847-I878 PolarHBondContact OG-N 3Å; F855-I878 HydrophobicContact CE2-CG2 3.65Å; F855-I878 HydrophobicContact CZ-CG2 3.62Å; V865-I878 HydrophobicContact CG1-CG2 3.68Å; M867-I878 HydrophobicContact CG-CG1 4.12Å; M867-I878 HydrophobicContact CG-CG2 3.99Å; M867-I878 HydrophobicContact SD-CD1 4.37Å; V876-I878 HydrophobicContact CG1-CD1 4Å; V876-I878 HydrophobicContact CG1-CG1 3.67Å |
| 879 | T | 88.2 | Confident | 65.5 | Low | 8 Ų | 8 | 74 Ų | 74 | 5% | 0.049 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 107.8 | -176.9 | -63.8 | 0 | 0 | 0 | 0 | 111.1 | H848 V865 M866 F877 H883 K884 | H848-T879 PolarHBondContact CE1-OG1 3.46Å; H848-T879 VanDerWaalsContact CE1-OG1 3.29Å; H848-T879 PolarHBondContact ND1-OG1 3.37Å; V865-T879 WeakPolarHBondContact CG1-O 3.17Å; M866-T879 PolarHBondContact O-N 2.82Å; F877-T879 WeakPolarHBondContact CE1-OG1 3.48Å; T879-H883 VanDerWaalsContact CG2-C 3.45Å; T879-H883 HydrophobicContact CG2-CB 4.11Å; T879-H883 WeakPolarHBondContact CG2-O 3.31Å; T879-K884 HydrophobicContact CG2-CB 4.45Å |
| 880 | C | 88.2 | Confident | 63.4 | Low | 3 Ų | 3 | 80.4 Ų | 80.4 | 2% | 0.02 | 38% | 0.379 | C | S | . | . | trans | -72.2 | 160.5 | 175.4 | 77 | 0 | 0 | 0 | 0 | 112.2 | C846 T853 F855 R882 H883 K884 | C846-C880 HydrophobicContact CB-CB 3.87Å; C846-C880 PolarHBondContact SG-N 3.33Å; T853-C880 HydrophobicContact CG2-CB 3.83Å; F855-C880 HydrophobicContact CE1-CB 3.85Å; F855-C880 HydrophobicContact CZ-CB 4.42Å; C880-R882 PolarHBondContact O-N 3.4Å; C880-H883 CarbonylContact O-C 3.57Å; C880-H883 WeakPolarHBondContact O-CA 3.44Å; C880-H883 PolarHBondContact O-N 2.55Å; C880-K884 PolarHBondContact O-N 2.78Å | ||
| 881 | F | 83.6 | Confident | 61.7 | Low | 101 Ų | 101 | 80 Ų | 80 | 44% | 0.443 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -20.7 | -177.4 | -56.6 | -55.8 | 0 | 0 | 0 | 115.7 | F831 A863 G864 V865 H883 | F831-F881 HydrophobicContact CE1-CD2 4.44Å; F831-F881 AromaticContact CE1-CE2 3.94Å; F831-F881 HydrophobicContact CE1-CE2 3.94Å; F831-F881 HydrophobicContact CZ-CD2 4.27Å; F831-F881 AromaticContact CZ-CE2 3.73Å; F831-F881 HydrophobicContact CZ-CE2 3.73Å; A863-F881 HydrophobicContact CB-CE2 4.48Å; A863-F881 VanDerWaalsContact O-CZ 3.3Å; A863-F881 WeakPolarHBondContact O-CZ 3.36Å; G864-F881 WeakPolarHBondContact O-CE1 3.29Å; V865-F881 HydrophobicContact CG2-CE2 3.89Å; V865-F881 HydrophobicContact CG2-CZ 3.84Å; F881-H883 VanDerWaalsContact C-N 3.27Å; F881-H883 PolarHBondContact O-N 3.21Å |
| 882 | R | 78.7 | Confident | 60.8 | Low | 182 Ų | 182 | 83 Ų | 83 | 69% | 0.687 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -22.9 | 172.2 | -62.9 | -177 | 64.5 | -168.6 | -0.1 | 113.4 | C880 | C880-R882 PolarHBondContact O-N 3.4Š|
| 883 | H | 75.3 | Confident | 60.5 | Low | 56 Ų | 56 | 76.6 Ų | 76.6 | 26% | 0.259 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.5 | 0.2 | -179.1 | -60.6 | 154.1 | 0 | 0 | 0 | 112.6 | H848 C851 T879 C880 F881 I885 | H848-H883 HydrophobicContact CB-CB 3.95Å; H848-H883 WeakPolarHBondContact CB-ND1 3.49Å; C851-H883 VanDerWaalsContact SG-CE1 3.5Å; T879-H883 VanDerWaalsContact CG2-C 3.45Å; T879-H883 HydrophobicContact CG2-CB 4.11Å; T879-H883 WeakPolarHBondContact CG2-O 3.31Å; C880-H883 CarbonylContact O-C 3.57Å; C880-H883 WeakPolarHBondContact O-CA 3.44Å; C880-H883 PolarHBondContact O-N 2.55Å; F881-H883 VanDerWaalsContact C-N 3.27Å; F881-H883 PolarHBondContact O-N 3.21Å; H883-I885 PolarHBondContact O-N 3.39Å |
| 884 | K | 65.5 | Low | 60.3 | Low | 86 Ų | 86 | 78.1 Ų | 78.1 | 37% | 0.374 | 40% | 0.4 | S | S | . | . | trans | -70.4 | 68.8 | 160.4 | -164.3 | -172.6 | -179.4 | -173.3 | 0 | 109.4 | T879 C880 E889 | T879-K884 HydrophobicContact CG2-CB 4.45Å; C880-K884 PolarHBondContact O-N 2.78Å; K884-E889 WeakPolarHBondContact CE-OE1 3.45Å; K884-E889 IonicContact NZ-OE1 3.26Å; K884-E889 PolarHBondContact NZ-OE1 3.31Å; K884-E889 IonicContact NZ-OE2 3.6Å | ||
| 885 | I | 48.6 | Very low | 60 | Low | 105 Ų | 105 | 76.6 Ų | 76.6 | 54% | 0.538 | 40% | 0.397 | S | S | . | . | trans | -64.5 | 134.8 | 165.1 | -58 | 167.3 | 0 | 0 | 0 | 106.3 | H883 N887 | H883-I885 PolarHBondContact O-N 3.39Å; I885-N887 HydrophobicContact CG2-CB 3.84Å; I885-N887 PolarHBondContact O-N 3.16Å | ||
| 886 | P | 41.7 | Very low | 59.3 | Low | 96 Ų | 96 | 80.3 Ų | 80.3 | 62% | 0.623 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -72.4 | 31.3 | -178.1 | 31.1 | -37.4 | 0 | 0 | 0 | 114.2 | ||
| 887 | N | 36.7 | Very low | 58.2 | Low | 128 Ų | 128 | 85.2 Ų | 85.2 | 68% | 0.684 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | 1.1 | -171.7 | -88.9 | 15.5 | 0 | 0 | 0 | 114.9 | I885 | I885-N887 HydrophobicContact CG2-CB 3.84Å; I885-N887 PolarHBondContact O-N 3.16Å |
| 888 | L | 39.5 | Very low | 57.8 | Low | 99 Ų | 99 | 83.7 Ų | 83.7 | 52% | 0.518 | 44% | 0.441 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | -42.4 | 175.8 | -146.1 | 72.4 | 0 | 0 | 0 | 112 | R890 A891 | L888-R890 PolarHBondContact O-N 3.03Å; L888-R890 VanDerWaalsContact O-N 3.16Å; L888-A891 PolarHBondContact O-N 2.81Å; L888-A891 VanDerWaalsContact O-N 3.14Å |
| 889 | E | 37.5 | Very low | 57.3 | Low | 90 Ų | 90 | 87.6 Ų | 87.6 | 42% | 0.421 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63.6 | -20.3 | -179.9 | -73.3 | 166.5 | -159.6 | 0 | 0 | 113.5 | V679 K884 | V679-E889 HydrophobicContact CG1-CG 3.79Å; V679-E889 HydrophobicContact CG2-CG 4.33Å; K884-E889 WeakPolarHBondContact CE-OE1 3.45Å; K884-E889 IonicContact NZ-OE1 3.26Å; K884-E889 PolarHBondContact NZ-OE1 3.31Å; K884-E889 IonicContact NZ-OE2 3.6Å |
| 890 | R | 37.4 | Very low | 56.9 | Low | 168 Ų | 168 | 89.9 Ų | 89.9 | 63% | 0.634 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -97.8 | 8.2 | 177.8 | -143.2 | 178.8 | -167.4 | -178.8 | 4.3 | 114.8 | L888 E1008 | L888-R890 PolarHBondContact O-N 3.03Å; L888-R890 VanDerWaalsContact O-N 3.16Å; R890-E1008 IonicContact NH1-OE2 3.45Å; R890-E1008 PolarHBondContact NH1-OE2 2.89Å |
| 891 | A | 40.3 | Very low | 56.5 | Low | 58 Ų | 58 | 92 Ų | 92 | 48% | 0.479 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -111.1 | -21.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | L888 | L888-A891 PolarHBondContact O-N 2.81Å; L888-A891 VanDerWaalsContact O-N 3.14Å |
| 892 | K | 37.8 | Very low | 56.6 | Low | 160 Ų | 160 | 89.4 Ų | 89.4 | 70% | 0.696 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -116.8 | -18.6 | 171.7 | -70.7 | -177 | 179.7 | 175.7 | 0 | 113.4 | E680 | E680-K892 IonicContact OE1-NZ 2.81Å; E680-K892 PolarHBondContact OE1-NZ 3.36Å |
| 893 | G | 38.7 | Very low | 57 | Low | 43 Ų | 43 | 85.2 Ų | 85.2 | 44% | 0.443 | 48% | 0.484 | S | S | . | . | S | Bend | trans | -96.7 | 116.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 894 | A | 39.3 | Very low | 57.6 | Low | 97 Ų | 97 | 82.6 Ų | 82.6 | 80% | 0.802 | 47% | 0.471 | S | S | * | . | trans | 56.9 | 51.5 | 172 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 895 | L | 52.6 | Low | 58.7 | Low | 67 Ų | 67 | 79 Ų | 79 | 35% | 0.351 | 46% | 0.456 | S | S | . | . | trans | -59.1 | 130.8 | 141.5 | -74.8 | -178.3 | 0 | 0 | 0 | 107.8 | R999 | L895-R999 HydrophobicContact CD1-CG 4.12Š| ||
| 896 | Q | 56.8 | Low | 60.7 | Low | 90 Ų | 90 | 74 Ų | 74 | 42% | 0.421 | 43% | 0.43 | S | S | . | . | trans | -68.2 | 144.9 | -174.9 | -74.8 | 177 | -27.4 | 0 | 0 | 111.4 | I898 R999 T1004 E1007 | Q896-I898 PolarHBondContact O-N 3.34Å; Q896-R999 PolarHBondContact O-NH2 3.47Å; Q896-T1004 HydrophobicContact CB-CG2 4.11Å; Q896-T1004 PolarHBondContact OE1-OG1 2.97Å; Q896-E1007 PolarHBondContact N-OE1 2.65Å | ||
| 897 | S | 59.9 | Low | 62.9 | Low | 109 Ų | 109 | 74.5 Ų | 74.5 | 76% | 0.762 | 42% | 0.423 | S | S | * | . | trans | -66.2 | 113.6 | 171.4 | 53.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 898 | I | 77.4 | Confident | 65.2 | Low | 8 Ų | 8 | 69.5 Ų | 69.5 | 4% | 0.041 | 40% | 0.395 | C | S | . | . | trans | -86.7 | 134.5 | -177 | -69.1 | 177.8 | 0 | 0 | 0 | 109.9 | Q896 Q902 V904 V918 Y985 R999 V1002 T1004 | Q896-I898 PolarHBondContact O-N 3.34Å; I898-Q902 VanDerWaalsContact CA-OE1 3.25Å; I898-V904 HydrophobicContact CD1-CG1 4.15Å; I898-V904 HydrophobicContact CG2-CG1 4.15Å; I898-V918 HydrophobicContact CG2-CB 4.39Å; I898-V918 HydrophobicContact CG2-CG1 4.36Å; I898-V918 HydrophobicContact CG2-CG2 3.65Å; I898-Y985 HydrophobicContact CB-CD1 4.15Å; I898-Y985 HydrophobicContact CB-CE1 3.7Å; I898-Y985 HydrophobicContact CG2-CD1 3.83Å; I898-Y985 HydrophobicContact CG2-CE1 3.9Å; I898-R999 VanDerWaalsContact CD1-CZ 3.45Å; I898-V1002 HydrophobicContact CD1-CB 4.29Å; I898-V1002 HydrophobicContact CD1-CG1 3.63Å; I898-T1004 HydrophobicContact CD1-CG2 4.13Å; I898-T1004 HydrophobicContact CG1-CG2 3.87Å | ||
| 899 | T | 80.3 | Confident | 67 | Low | 85 Ų | 85 | 72.2 Ų | 72.2 | 52% | 0.521 | 40% | 0.403 | S | S | . | . | trans | -110.2 | 159.5 | 176.9 | 60.1 | 0 | 0 | 0 | 0 | 112.6 | Q902 | T899-Q902 WeakPolarHBondContact O-CB 3.4Å; T899-Q902 PolarHBondContact O-N 3.4Å | ||
| 900 | A | 80.1 | Confident | 68.9 | Low | 56 Ų | 56 | 71.9 Ų | 71.9 | 46% | 0.463 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | 146.1 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q902 V918 L921 | A900-Q902 PolarHBondContact O-N 2.9Å; A900-V918 CarbonylContact C-O 3.5Å; A900-V918 VanDerWaalsContact CA-O 3.29Å; A900-V918 WeakPolarHBondContact CA-O 3.33Å; A900-L921 HydrophobicContact CB-CD1 4.24Å |
| 901 | G | 78.3 | Confident | 70.6 | Confident | 48 Ų | 48 | 64.5 Ų | 64.5 | 50% | 0.495 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.6 | 0.2 | -170.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | V918 | G901-V918 PolarHBondContact N-O 3.28Š|
| 902 | Q | 85.6 | Confident | 72.6 | Confident | 46 Ų | 46 | 67.4 Ų | 67.4 | 22% | 0.215 | 38% | 0.379 | C | S | . | . | trans | -82.1 | 135.6 | 177.5 | -169.6 | 172.6 | 1.5 | 0 | 0 | 111.4 | I898 T899 A900 V904 V918 | I898-Q902 VanDerWaalsContact CA-OE1 3.25Å; T899-Q902 WeakPolarHBondContact O-CB 3.4Å; T899-Q902 PolarHBondContact O-N 3.4Å; A900-Q902 PolarHBondContact O-N 2.9Å; Q902-V904 HydrophobicContact CG-CG1 4.29Å; Q902-V918 PolarHBondContact O-N 2.93Å | ||
| 903 | K | 86.9 | Confident | 74.9 | Confident | 95 Ų | 95 | 60.4 Ų | 60.4 | 41% | 0.413 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 128.3 | 171.2 | -61.3 | -160.8 | 174.7 | -158 | 0 | 111 | C916 E917 L1005 | K903-C916 WeakPolarHBondContact CA-O 3.25Å; K903-E917 WeakPolarHBondContact CE-OE2 3.42Å; K903-E917 HydrophobicContact CG-CG 4.34Å; K903-E917 IonicContact NZ-OE2 3.26Å; K903-L1005 HydrophobicContact CB-CD1 4.08Å |
| 904 | V | 89.8 | Confident | 77.2 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 176.3 | -173.5 | -60.5 | 0 | 0 | 0 | 0 | 109.7 | I898 Q902 Q915 C916 V918 V987 V1002 Y1003 | I898-V904 HydrophobicContact CD1-CG1 4.15Å; I898-V904 HydrophobicContact CG2-CG1 4.15Å; Q902-V904 HydrophobicContact CG-CG1 4.29Å; V904-Q915 CarbonylContact O-C 3.52Å; V904-Q915 WeakPolarHBondContact O-CA 3.47Å; V904-C916 PolarHBondContact N-O 2.85Å; V904-C916 PolarHBondContact O-N 2.57Å; V904-C916 VanDerWaalsContact O-O 3.1Å; V904-V918 HydrophobicContact CB-CG2 4.4Å; V904-V918 HydrophobicContact CG1-CG2 3.8Å; V904-V918 HydrophobicContact CG2-CG2 3.65Å; V904-V987 HydrophobicContact CG2-CG1 3.9Å; V904-V1002 HydrophobicContact CB-CG1 3.65Å; V904-V1002 HydrophobicContact CG1-CG1 4Å; V904-V1002 HydrophobicContact CG2-CG1 3.6Å; V904-Y1003 CarbonylContact C-O 3.57Å; V904-Y1003 WeakPolarHBondContact CA-O 3.36Å; V904-Y1003 WeakPolarHBondContact CB-O 3.21Å |
| 905 | I | 88.6 | Confident | 79.5 | Confident | 10 Ų | 10 | 57.6 Ų | 57.6 | 5% | 0.051 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 125.2 | 175.5 | -70 | 168 | 0 | 0 | 0 | 108.4 | F913 Y914 Y1003 L1005 L1009 V1013 L1017 | I905-F913 HydrophobicContact CG2-CB 4.1Å; I905-F913 HydrophobicContact CG2-CD1 4.41Å; I905-Y914 WeakPolarHBondContact CA-O 3.4Å; I905-Y1003 PolarHBondContact N-O 3.12Å; I905-Y1003 PolarHBondContact O-N 2.78Å; I905-L1005 HydrophobicContact CD1-CD2 3.93Å; I905-L1005 HydrophobicContact CG1-CD2 3.99Å; I905-L1009 HydrophobicContact CD1-CD1 3.68Å; I905-L1009 HydrophobicContact CD1-CD2 4.16Å; I905-V1013 HydrophobicContact CG2-CG1 4.23Å; I905-L1017 HydrophobicContact CD1-CD1 3.96Å; I905-L1017 HydrophobicContact CD1-CD2 4.21Å; I905-L1017 HydrophobicContact CG1-CD1 4.22Å; I905-L1017 HydrophobicContact CG2-CD1 3.74Å |
| 906 | S | 88.6 | Confident | 81.2 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 173.7 | 174.7 | -164.3 | 0 | 0 | 0 | 0 | 111.8 | F913 Y914 D1001 | S906-F913 WeakPolarHBondContact O-CA 3.38Å; S906-Y914 PolarHBondContact N-O 3.31Å; S906-Y914 VanDerWaalsContact N-O 3.16Å; S906-Y914 PolarHBondContact O-N 3.21Å; S906-D1001 WeakPolarHBondContact CB-O 3.37Å; S906-D1001 PolarHBondContact OG-O 2.97Å |
| 907 | K | 88.4 | Confident | 82.7 | Confident | 107 Ų | 107 | 54.1 Ų | 54.1 | 47% | 0.465 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 112 | -174.6 | -179.9 | -170.7 | 164.6 | -157.7 | 0 | 109.9 | F913 L995 | K907-F913 HydrophobicContact CB-CD1 3.99Å; K907-F913 HydrophobicContact CB-CE1 3.67Å; K907-F913 HydrophobicContact CB-CZ 4.07Å; K907-F913 HydrophobicContact CG-CE1 4.44Å; K907-F913 HydrophobicContact CG-CZ 4.37Å; K907-L995 WeakPolarHBondContact O-CD2 3.32Å |
| 908 | H | 84.8 | Confident | 84.1 | Confident | 23 Ų | 23 | 49 Ų | 49 | 11% | 0.106 | 25% | 0.253 | C | S | . | . | trans | -72.7 | 163.4 | 174.1 | -176.2 | -124.3 | 0 | 0 | 0 | 111.5 | N910 G911 R912 Y914 F989 D991 S993 | H908-N910 PolarHBondContact ND1-ND2 3.47Å; H908-N910 PolarHBondContact O-N 2.76Å; H908-N910 VanDerWaalsContact O-N 3.12Å; H908-G911 PolarHBondContact O-N 2.9Å; H908-R912 PolarHBondContact N-O 2.99Å; H908-Y914 HydrophobicContact CB-CD2 3.62Å; H908-Y914 HydrophobicContact CB-CE2 3.83Å; H908-F989 HydrophobicContact CB-CD1 4.33Å; H908-F989 HydrophobicContact CB-CE1 3.96Å; H908-F989 HydrophobicContact CB-CE2 4.47Å; H908-F989 HydrophobicContact CB-CZ 4.04Å; H908-F989 AromaticContact CD2-CD2 3.94Å; H908-F989 AromaticContact CD2-CE2 3.99Å; H908-D991 IonicContact CE1-OD2 3.3Å; H908-S993 PolarHBondContact NE2-OG 3.39Å | ||
| 909 | K | 78.6 | Confident | 84.5 | Confident | 156 Ų | 156 | 51.6 Ų | 51.6 | 68% | 0.678 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -29.5 | -177.5 | -65.4 | 176.8 | -177.5 | 172.1 | 0 | 113.1 | G911 L995 | K909-G911 PolarHBondContact O-N 3.34Å; K909-L995 HydrophobicContact CG-CD1 4.38Å |
| 910 | N | 76.7 | Confident | 84.6 | Confident | 83 Ų | 83 | 54 Ų | 54 | 44% | 0.444 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | 0.8 | 173.6 | 70.7 | 19.6 | 0 | 0 | 0 | 114.7 | H908 R912 Y914 | H908-N910 PolarHBondContact ND1-ND2 3.47Å; H908-N910 PolarHBondContact O-N 2.76Å; H908-N910 VanDerWaalsContact O-N 3.12Å; N910-R912 VanDerWaalsContact C-N 3.35Å; N910-R912 PolarHBondContact O-N 3.15Å; N910-R912 WeakPolarHBondContact OD1-CB 3.43Å; N910-R912 PolarHBondContact OD1-N 2.71Å; N910-Y914 PolarHBondContact ND2-OH 3.33Å; N910-Y914 WeakPolarHBondContact OD1-CE2 3.36Å |
| 911 | G | 73.4 | Confident | 84.8 | Confident | 13 Ų | 13 | 54 Ų | 54 | 13% | 0.134 | 26% | 0.261 | C | S | . | . | S | Bend | trans | 77.4 | 11.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | H908 K909 R1016 | H908-G911 PolarHBondContact O-N 2.9Å; K909-G911 PolarHBondContact O-N 3.34Å; G911-R1016 PolarHBondContact O-NE 3.49Å; G911-R1016 PolarHBondContact O-NH2 3.13Å |
| 912 | R | 81.1 | Confident | 84.9 | Confident | 119 Ų | 119 | 53.2 Ų | 53.2 | 45% | 0.449 | 25% | 0.247 | S | C | . | . | trans | -102.3 | 158.3 | 170.6 | -59.7 | 174.6 | 70.6 | 154.6 | -3.5 | 109.7 | H908 N910 Y914 S1018 | H908-R912 PolarHBondContact N-O 2.99Å; N910-R912 VanDerWaalsContact C-N 3.35Å; N910-R912 PolarHBondContact O-N 3.15Å; N910-R912 WeakPolarHBondContact OD1-CB 3.43Å; N910-R912 PolarHBondContact OD1-N 2.71Å; R912-Y914 HydrophobicContact CB-CD2 4.38Å; R912-Y914 HydrophobicContact CB-CE2 3.61Å; R912-S1018 VanDerWaalsContact CZ-OG 3.3Å; R912-S1018 PolarHBondContact NE-OG 2.92Å; R912-S1018 PolarHBondContact NH2-OG 2.88Å | ||
| 913 | F | 86.8 | Confident | 84.5 | Confident | 13 Ų | 13 | 55.5 Ų | 55.5 | 6% | 0.057 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 138.2 | 177 | -68.2 | -94.8 | 0 | 0 | 0 | 109.5 | I905 S906 K907 Y1003 V1013 R1016 L1017 S1018 | I905-F913 HydrophobicContact CG2-CB 4.1Å; I905-F913 HydrophobicContact CG2-CD1 4.41Å; S906-F913 WeakPolarHBondContact O-CA 3.38Å; K907-F913 HydrophobicContact CB-CD1 3.99Å; K907-F913 HydrophobicContact CB-CE1 3.67Å; K907-F913 HydrophobicContact CB-CZ 4.07Å; K907-F913 HydrophobicContact CG-CE1 4.44Å; K907-F913 HydrophobicContact CG-CZ 4.37Å; F913-Y1003 HydrophobicContact CE1-CE2 4.11Å; F913-V1013 HydrophobicContact CB-CG1 4.14Å; F913-V1013 HydrophobicContact CD1-CG1 3.87Å; F913-V1013 HydrophobicContact CD1-CG2 4.4Å; F913-V1013 HydrophobicContact CD2-CG1 4.2Å; F913-V1013 HydrophobicContact CE1-CG1 4.32Å; F913-V1013 HydrophobicContact CE1-CG2 4.01Å; F913-V1013 HydrophobicContact CE2-CG2 4.22Å; F913-V1013 HydrophobicContact CG-CG1 3.81Å; F913-V1013 HydrophobicContact CZ-CG2 3.92Å; F913-R1016 HydrophobicContact CD2-CB 3.9Å; F913-R1016 HydrophobicContact CE2-CB 4.43Å; F913-R1016 PolarHBondContact N-O 3.17Å; F913-L1017 HydrophobicContact CB-CD1 4.16Å; F913-L1017 CarbonylContact O-C 3.55Å; F913-L1017 WeakPolarHBondContact O-CA 3.32Å; F913-S1018 PolarHBondContact O-N 3.11Å |
| 914 | Y | 87.1 | Confident | 84.2 | Confident | 13 Ų | 13 | 53.3 Ų | 53.3 | 5% | 0.051 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 162.4 | 180 | -62 | -92.6 | 0 | 0 | 0 | 110 | I905 S906 H908 N910 R912 M1023 | I905-Y914 WeakPolarHBondContact CA-O 3.4Å; S906-Y914 PolarHBondContact N-O 3.31Å; S906-Y914 VanDerWaalsContact N-O 3.16Å; S906-Y914 PolarHBondContact O-N 3.21Å; H908-Y914 HydrophobicContact CB-CD2 3.62Å; H908-Y914 HydrophobicContact CB-CE2 3.83Å; N910-Y914 PolarHBondContact ND2-OH 3.33Å; N910-Y914 WeakPolarHBondContact OD1-CE2 3.36Å; R912-Y914 HydrophobicContact CB-CD2 4.38Å; R912-Y914 HydrophobicContact CB-CE2 3.61Å; Y914-M1023 HydrophobicContact CD1-CG 3.45Å; Y914-M1023 VanDerWaalsContact CD1-CG 3.45Å; Y914-M1023 HydrophobicContact CD1-SD 3.39Å; Y914-M1023 WeakPolarHBondContact CD1-SD 3.26Å; Y914-M1023 HydrophobicContact CD2-SD 4.11Å; Y914-M1023 HydrophobicContact CE1-CG 3.45Å; Y914-M1023 VanDerWaalsContact CE1-CG 3.45Å; Y914-M1023 HydrophobicContact CE1-SD 3.9Å; Y914-M1023 HydrophobicContact CG-CG 4.18Å; Y914-M1023 HydrophobicContact CG-SD 3.48Å |
| 915 | Q | 87.3 | Confident | 83.9 | Confident | 68 Ų | 68 | 55.7 Ų | 55.7 | 32% | 0.318 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 135.1 | 167.7 | -171.5 | 170.4 | 0.3 | 0 | 0 | 109.8 | V904 L1005 | V904-Q915 CarbonylContact O-C 3.52Å; V904-Q915 WeakPolarHBondContact O-CA 3.47Å; Q915-L1005 HydrophobicContact CG-CD2 4.22Å |
| 916 | C | 87.9 | Confident | 83.8 | Confident | 6 Ų | 6 | 55.5 Ų | 55.5 | 4% | 0.041 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 166.4 | -178.1 | 46.9 | 0 | 0 | 0 | 0 | 109.7 | K903 V904 V987 E988 F989 | K903-C916 WeakPolarHBondContact CA-O 3.25Å; V904-C916 PolarHBondContact N-O 2.85Å; V904-C916 PolarHBondContact O-N 2.57Å; V904-C916 VanDerWaalsContact O-O 3.1Å; C916-V987 HydrophobicContact CB-CB 4.18Å; C916-E988 CarbonylContact C-O 3.49Å; C916-E988 WeakPolarHBondContact CA-O 3.13Å; C916-E988 WeakPolarHBondContact CB-O 3.15Å; C916-F989 HydrophobicContact CB-CD1 3.61Å; C916-F989 HydrophobicContact CB-CE1 3.82Å; C916-F989 HydrophobicContact CB-CG 4.03Å; C916-F989 HydrophobicContact CB-CZ 4.4Å |
| 917 | E | 89.4 | Confident | 83.7 | Confident | 79 Ų | 79 | 55.8 Ų | 55.8 | 37% | 0.369 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 139.5 | 178.5 | -163 | 165.4 | 134 | 0 | 0 | 110.6 | K903 V919 V987 E988 | K903-E917 WeakPolarHBondContact CE-OE2 3.42Å; K903-E917 HydrophobicContact CG-CG 4.34Å; K903-E917 IonicContact NZ-OE2 3.26Å; E917-V919 PolarHBondContact O-N 2.75Å; E917-V987 CarbonylContact O-C 3.49Å; E917-V987 VanDerWaalsContact O-CA 3.32Å; E917-V987 WeakPolarHBondContact O-CA 3.47Å; E917-E988 PolarHBondContact N-O 3.44Å; E917-E988 PolarHBondContact O-N 3.49Å |
| 918 | V | 88.7 | Confident | 83.7 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 103.9 | -179.8 | -179.9 | 0 | 0 | 0 | 0 | 109 | I898 A900 G901 Q902 V904 L921 Y985 Q986 V987 | I898-V918 HydrophobicContact CG2-CB 4.39Å; I898-V918 HydrophobicContact CG2-CG1 4.36Å; I898-V918 HydrophobicContact CG2-CG2 3.65Å; A900-V918 CarbonylContact C-O 3.5Å; A900-V918 VanDerWaalsContact CA-O 3.29Å; A900-V918 WeakPolarHBondContact CA-O 3.33Å; G901-V918 PolarHBondContact N-O 3.28Å; Q902-V918 PolarHBondContact O-N 2.93Å; V904-V918 HydrophobicContact CB-CG2 4.4Å; V904-V918 HydrophobicContact CG1-CG2 3.8Å; V904-V918 HydrophobicContact CG2-CG2 3.65Å; V918-L921 HydrophobicContact CG1-CD1 4.34Å; V918-Y985 HydrophobicContact CG1-CD1 4.38Å; V918-Q986 CarbonylContact C-O 3.57Å; V918-V987 HydrophobicContact CG2-CG1 4.04Å |
| 919 | V | 85.6 | Confident | 83.9 | Confident | 63 Ų | 63 | 51.9 Ų | 51.9 | 38% | 0.382 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | -46.6 | -179.3 | -177.4 | 0 | 0 | 0 | 0 | 110.9 | E917 Q986 E988 | E917-V919 PolarHBondContact O-N 2.75Å; V919-Q986 PolarHBondContact N-O 2.98Å; V919-E988 HydrophobicContact CG2-CB 3.42Å; V919-E988 VanDerWaalsContact CG2-CB 3.42Å; V919-E988 HydrophobicContact CG2-CG 4.45Å |
| 920 | R | 82.8 | Confident | 84.2 | Confident | 135 Ų | 135 | 48 Ų | 48 | 51% | 0.509 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.5 | 159.1 | 178.2 | 61.6 | 177.5 | -178.7 | 172.5 | 2.8 | 111.6 | Q986 | R920-Q986 HydrophobicContact CG-CB 3.9Å; R920-Q986 PolarHBondContact O-N 2.94Å |
| 921 | L | 84.5 | Confident | 84.7 | Confident | 56 Ų | 56 | 45 Ų | 45 | 29% | 0.293 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 139 | 164.3 | -63 | 87.1 | 0 | 0 | 0 | 108.6 | A900 V918 Q983 M984 Y985 | A900-L921 HydrophobicContact CB-CD1 4.24Å; V918-L921 HydrophobicContact CG1-CD1 4.34Å; L921-Q983 VanDerWaalsContact CD2-CD 3.46Å; L921-Q983 HydrophobicContact CD2-CG 4.01Å; L921-M984 WeakPolarHBondContact CA-O 3.34Å; L921-Y985 HydrophobicContact CD2-CD1 3.99Å; L921-Y985 HydrophobicContact CD2-CE1 3.5Å; L921-Y985 VanDerWaalsContact CD2-CE1 3.5Å; L921-Y985 HydrophobicContact CG-CD1 3.99Å; L921-Y985 HydrophobicContact CG-CE1 4.03Å |
| 922 | T | 79.9 | Confident | 84.8 | Confident | 33 Ų | 33 | 49.2 Ų | 49.2 | 20% | 0.202 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 152.2 | 171.5 | 43.6 | 0 | 0 | 0 | 0 | 108.7 | M984 | T922-M984 PolarHBondContact N-O 2.87Å; T922-M984 PolarHBondContact O-N 3.46Å |
| 923 | T | 78.6 | Confident | 84.2 | Confident | 93 Ų | 93 | 49.8 Ų | 49.8 | 57% | 0.571 | 25% | 0.254 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 120.1 | 168.8 | -54.3 | 0 | 0 | 0 | 0 | 107.7 | P981 I982 | T923-P981 HydrophobicContact CG2-CB 3.89Å; T923-I982 WeakPolarHBondContact CA-O 3.47Å |
| 924 | E | 80.7 | Confident | 83.3 | Confident | 49 Ų | 49 | 52.5 Ų | 52.5 | 23% | 0.229 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 125.6 | 175.1 | -72.3 | 166.5 | -151.3 | 0 | 0 | 107.7 | F926 I982 M984 | E924-F926 HydrophobicContact CB-CE2 3.8Å; E924-F926 HydrophobicContact CB-CZ 4.17Å; E924-I982 PolarHBondContact N-O 2.99Å; E924-I982 PolarHBondContact O-N 3.17Å; E924-M984 HydrophobicContact CB-CG 3.93Å; E924-M984 HydrophobicContact CG-CG 4.05Å; E924-M984 VanDerWaalsContact OE2-CE 3.29Å; E924-M984 WeakPolarHBondContact OE2-CE 3.42Å |
| 925 | T | 82.3 | Confident | 82.5 | Confident | 50 Ų | 50 | 54.3 Ų | 54.3 | 31% | 0.307 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 116.7 | -178.6 | -54.9 | 0 | 0 | 0 | 0 | 109.1 | Y927 P942 | T925-Y927 HydrophobicContact CG2-CD1 4.11Å; T925-Y927 HydrophobicContact CG2-CE1 3.76Å; T925-P942 WeakPolarHBondContact O-CD 3.48Å |
| 926 | F | 85.8 | Confident | 82.5 | Confident | 6 Ų | 6 | 57.4 Ų | 57.4 | 3% | 0.026 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 145.7 | 173.5 | -64.8 | -86.9 | 0 | 0 | 0 | 110.2 | E924 N939 L940 Y941 S979 H980 I982 M984 | E924-F926 HydrophobicContact CB-CE2 3.8Å; E924-F926 HydrophobicContact CB-CZ 4.17Å; F926-N939 HydrophobicContact CD1-CB 4.49Å; F926-L940 CarbonylContact C-O 3.5Å; F926-L940 WeakPolarHBondContact CA-O 3.35Å; F926-Y941 HydrophobicContact CE1-CD1 4.26Å; F926-Y941 AromaticContact CE1-CE1 3.68Å; F926-Y941 HydrophobicContact CE1-CE1 3.68Å; F926-Y941 HydrophobicContact CE1-CE2 4.07Å; F926-Y941 AromaticContact CE1-CZ 3.58Å; F926-Y941 AromaticContact CZ-CE1 3.97Å; F926-Y941 HydrophobicContact CZ-CE1 3.97Å; F926-S979 CarbonylContact O-C 3.59Å; F926-S979 WeakPolarHBondContact O-CA 3.36Å; F926-H980 PolarHBondContact N-O 2.74Å; F926-H980 PolarHBondContact O-N 3.2Å; F926-I982 HydrophobicContact CD2-CB 4.03Å; F926-I982 HydrophobicContact CD2-CD1 3.7Å; F926-I982 HydrophobicContact CD2-CG1 4.01Å; F926-I982 HydrophobicContact CE2-CB 4.17Å; F926-I982 HydrophobicContact CE2-CD1 4.27Å; F926-I982 HydrophobicContact CG-CD1 4.45Å; F926-M984 HydrophobicContact CZ-CE 4.37Å |
| 927 | Y | 86.4 | Confident | 82.2 | Confident | 6 Ų | 6 | 57.9 Ų | 57.9 | 2% | 0.024 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 140.4 | 178.7 | -71.5 | -7.3 | 0 | 0 | 0 | 111.4 | T925 D938 L940 P942 I945 C950 P955 F976 | T925-Y927 HydrophobicContact CG2-CD1 4.11Å; T925-Y927 HydrophobicContact CG2-CE1 3.76Å; Y927-D938 CarbonylContact O-C 3.5Å; Y927-L940 PolarHBondContact N-O 2.99Å; Y927-L940 PolarHBondContact O-N 3.01Å; Y927-P942 HydrophobicContact CE1-CG 4.19Å; Y927-P942 HydrophobicContact CE2-CB 3.82Å; Y927-P942 HydrophobicContact CE2-CG 4.21Å; Y927-I945 HydrophobicContact CD2-CD1 4.33Å; Y927-I945 HydrophobicContact CD2-CG1 3.68Å; Y927-I945 HydrophobicContact CE2-CG1 4.03Å; Y927-C950 HydrophobicContact CE2-CB 3.71Å; Y927-P955 HydrophobicContact CE1-CB 3.96Å; Y927-P955 WeakPolarHBondContact OH-CA 3.4Å; Y927-F976 AromaticContact CD1-CE2 3.89Å; Y927-F976 HydrophobicContact CD1-CE2 3.89Å; Y927-F976 HydrophobicContact CD1-CZ 4.46Å; Y927-F976 HydrophobicContact CD2-CD2 4.47Å; Y927-F976 HydrophobicContact CD2-CE2 4.03Å; Y927-F976 HydrophobicContact CE1-CE2 4.45Å; Y927-F976 HydrophobicContact CG-CD2 4.39Å; Y927-F976 AromaticContact CG-CE2 3.67Å; Y927-F976 HydrophobicContact CG-CE2 3.67Å |
| 928 | E | 88.6 | Confident | 82 | Confident | 49 Ų | 49 | 57.8 Ų | 57.8 | 23% | 0.229 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 129 | 173.1 | -169.8 | -178.4 | 153.4 | 0 | 0 | 109.8 | S937 D938 V977 A978 H980 | E928-S937 CarbonylContact C-O 3.55Å; E928-S937 WeakPolarHBondContact CA-O 3.32Å; E928-D938 HydrophobicContact CG-CB 4.37Å; E928-V977 HydrophobicContact CB-CB 4.13Å; E928-V977 HydrophobicContact CG-CB 3.96Å; E928-V977 HydrophobicContact CG-CG1 4.32Å; E928-V977 HydrophobicContact CG-CG2 4.4Å; E928-V977 PolarHBondContact O-N 2.84Å; E928-A978 HydrophobicContact CB-CB 4.25Å; E928-A978 PolarHBondContact N-O 2.78Å; E928-A978 PolarHBondContact O-N 3.43Å; E928-H980 IonicContact OE2-CD2 3.63Å; E928-H980 IonicContact OE2-CE1 3.82Å; E928-H980 IonicContact OE2-NE2 3.71Å; E928-H980 PolarHBondContact OE2-NE2 3.35Å |
| 929 | V | 89.1 | Confident | 81.8 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 147.5 | 179.1 | -49.1 | 0 | 0 | 0 | 0 | 111.4 | F931 F936 S937 L940 I945 V962 V964 A974 K975 F976 | V929-F931 HydrophobicContact CG2-CD2 4.2Å; V929-F931 HydrophobicContact CG2-CE1 4.36Å; V929-F931 HydrophobicContact CG2-CE2 3.7Å; V929-F931 HydrophobicContact CG2-CZ 3.79Å; V929-F936 CarbonylContact O-C 3.6Å; V929-F936 VanDerWaalsContact O-CA 3.27Å; V929-F936 WeakPolarHBondContact O-CA 3.37Å; V929-S937 PolarHBondContact N-O 3.24Å; V929-S937 PolarHBondContact O-N 2.92Å; V929-L940 HydrophobicContact CB-CD1 4.29Å; V929-L940 HydrophobicContact CG1-CD1 3.86Å; V929-L940 HydrophobicContact CG2-CD1 3.4Å; V929-L940 VanDerWaalsContact CG2-CD1 3.4Å; V929-I945 HydrophobicContact CG1-CD1 4.47Å; V929-V962 HydrophobicContact CG1-CG2 4.34Å; V929-V964 HydrophobicContact CG2-CG2 4.4Å; V929-A974 HydrophobicContact CB-CB 3.95Å; V929-A974 HydrophobicContact CG2-CB 3.9Å; V929-K975 CarbonylContact C-O 3.46Å; V929-K975 VanDerWaalsContact CA-O 3.22Å; V929-K975 WeakPolarHBondContact CA-O 3.47Å; V929-F976 HydrophobicContact CG1-CD2 4.43Å |
| 930 | N | 84.9 | Confident | 81.7 | Confident | 74 Ų | 74 | 58.4 Ų | 58.4 | 40% | 0.396 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 116.2 | 166.7 | -73.7 | -52.6 | 0 | 0 | 0 | 109.1 | S935 F936 A974 K975 V977 | N930-S935 CarbonylContact C-O 3.53Å; N930-F936 VanDerWaalsContact OD1-CB 3.24Å; N930-F936 WeakPolarHBondContact OD1-CB 3.32Å; N930-A974 CarbonylContact O-C 3.44Å; N930-A974 VanDerWaalsContact O-CA 3.29Å; N930-A974 WeakPolarHBondContact O-CA 3.32Å; N930-A974 WeakPolarHBondContact O-CB 3.45Å; N930-K975 PolarHBondContact N-O 3.02Å; N930-K975 PolarHBondContact O-N 3.36Å; N930-V977 HydrophobicContact CB-CG2 4.46Å; N930-V977 WeakPolarHBondContact ND2-CG2 3.45Å |
| 931 | F | 87.6 | Confident | 81.8 | Confident | 21 Ų | 21 | 56.4 Ų | 56.4 | 9% | 0.092 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 153.9 | 177.6 | -68.7 | -83.5 | 0 | 0 | 0 | 111.8 | V929 D933 G934 S935 L940 V964 W966 A974 | V929-F931 HydrophobicContact CG2-CD2 4.2Å; V929-F931 HydrophobicContact CG2-CE1 4.36Å; V929-F931 HydrophobicContact CG2-CE2 3.7Å; V929-F931 HydrophobicContact CG2-CZ 3.79Å; F931-D933 WeakPolarHBondContact CB-OD1 3.3Å; F931-D933 PolarHBondContact O-N 2.76Å; F931-G934 PolarHBondContact O-N 2.92Å; F931-S935 WeakPolarHBondContact CD2-OG 3.02Å; F931-S935 PolarHBondContact N-O 3.07Å; F931-L940 HydrophobicContact CZ-CD1 4.43Å; F931-V964 HydrophobicContact CE1-CB 4.02Å; F931-V964 HydrophobicContact CE1-CG1 4.31Å; F931-V964 HydrophobicContact CE1-CG2 4.17Å; F931-V964 HydrophobicContact CZ-CB 4.47Å; F931-V964 HydrophobicContact CZ-CG1 4.3Å; F931-W966 HydrophobicContact CE2-CE3 4.38Å; F931-W966 HydrophobicContact CE2-CH2 4.4Å; F931-W966 AromaticContact CE2-CZ3 3.93Å; F931-W966 HydrophobicContact CE2-CZ3 3.93Å; F931-W966 AromaticContact CZ-CE3 3.67Å; F931-W966 HydrophobicContact CZ-CE3 3.67Å; F931-W966 HydrophobicContact CZ-CH2 4.47Å; F931-W966 AromaticContact CZ-CZ3 3.62Å; F931-W966 HydrophobicContact CZ-CZ3 3.62Å; F931-A974 HydrophobicContact CD1-CB 3.73Å; F931-A974 HydrophobicContact CE1-CB 4.07Å; F931-A974 HydrophobicContact CG-CB 4.17Å |
| 932 | D | 76.6 | Confident | 81.8 | Confident | 101 Ų | 101 | 54.4 Ų | 54.4 | 54% | 0.54 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -10.6 | -180 | -72.1 | -43.4 | 0 | 0 | 0 | 113.8 | G973 | D932-G973 PolarHBondContact N-O 2.71Å; D932-G973 VanDerWaalsContact OD2-C 3.3Å; D932-G973 WeakPolarHBondContact OD2-CA 3.32Å |
| 933 | D | 68.5 | Low | 82.1 | Confident | 130 Ų | 130 | 57.7 Ų | 57.7 | 70% | 0.695 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | -3.7 | 172.3 | 79.2 | -19.3 | 0 | 0 | 0 | 114.2 | F931 S935 | F931-D933 WeakPolarHBondContact CB-OD1 3.3Å; F931-D933 PolarHBondContact O-N 2.76Å; D933-S935 VanDerWaalsContact OD1-CB 3.29Å; D933-S935 WeakPolarHBondContact OD1-CB 3.42Å; D933-S935 PolarHBondContact OD1-N 3.12Å; D933-S935 PolarHBondContact OD1-OG 3.2Å |
| 934 | G | 66.7 | Low | 82.5 | Confident | 70 Ų | 70 | 55.4 Ų | 55.4 | 72% | 0.722 | 30% | 0.3 | S | S | * | . | S | Bend | trans | 87.6 | 5.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | F931 | F931-G934 PolarHBondContact O-N 2.92Š|
| 935 | S | 70.6 | Confident | 82.8 | Confident | 52 Ų | 52 | 53.4 Ų | 53.4 | 36% | 0.364 | 29% | 0.291 | S | S | . | . | trans | -80.9 | 164.6 | 164.9 | 68.7 | 0 | 0 | 0 | 0 | 111.6 | N930 F931 D933 | N930-S935 CarbonylContact C-O 3.53Å; F931-S935 WeakPolarHBondContact CD2-OG 3.02Å; F931-S935 PolarHBondContact N-O 3.07Å; D933-S935 VanDerWaalsContact OD1-CB 3.29Å; D933-S935 WeakPolarHBondContact OD1-CB 3.42Å; D933-S935 PolarHBondContact OD1-N 3.12Å; D933-S935 PolarHBondContact OD1-OG 3.2Å | ||
| 936 | F | 86.4 | Confident | 83 | Confident | 133 Ų | 133 | 53.3 Ų | 53.3 | 58% | 0.583 | 29% | 0.29 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 160.1 | 177.5 | 82.8 | -83.3 | 0 | 0 | 0 | 111.5 | V929 N930 | V929-F936 CarbonylContact O-C 3.6Å; V929-F936 VanDerWaalsContact O-CA 3.27Å; V929-F936 WeakPolarHBondContact O-CA 3.37Å; N930-F936 VanDerWaalsContact OD1-CB 3.24Å; N930-F936 WeakPolarHBondContact OD1-CB 3.32Å |
| 937 | S | 82.8 | Confident | 82.9 | Confident | 15 Ų | 15 | 55.7 Ų | 55.7 | 11% | 0.105 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 143.2 | 169.8 | -170.9 | 0 | 0 | 0 | 0 | 110.5 | E928 V929 | E928-S937 CarbonylContact C-O 3.55Å; E928-S937 WeakPolarHBondContact CA-O 3.32Å; V929-S937 PolarHBondContact N-O 3.24Å; V929-S937 PolarHBondContact O-N 2.92Å |
| 938 | D | 85.1 | Confident | 82.7 | Confident | 77 Ų | 77 | 58 Ų | 58 | 41% | 0.412 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 5 | -176.4 | 65.4 | -35.9 | 0 | 0 | 0 | 113 | Y927 E928 | Y927-D938 CarbonylContact O-C 3.5Å; E928-D938 HydrophobicContact CG-CB 4.37Å |
| 939 | N | 83.6 | Confident | 82.3 | Confident | 70 Ų | 70 | 59 Ų | 59 | 37% | 0.374 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 30 | -170.8 | -77.3 | -90.4 | 0 | 0 | 0 | 113 | F926 K998 | F926-N939 HydrophobicContact CD1-CB 4.49Å; N939-K998 PolarHBondContact OD1-NZ 3.16Å |
| 940 | L | 83.5 | Confident | 82 | Confident | 6 Ų | 6 | 59.2 Ų | 59.2 | 3% | 0.031 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 150.4 | 172.6 | -77.5 | 162.2 | 0 | 0 | 0 | 111.9 | F926 Y927 V929 F931 D944 V964 W966 | F926-L940 CarbonylContact C-O 3.5Å; F926-L940 WeakPolarHBondContact CA-O 3.35Å; Y927-L940 PolarHBondContact N-O 2.99Å; Y927-L940 PolarHBondContact O-N 3.01Å; V929-L940 HydrophobicContact CB-CD1 4.29Å; V929-L940 HydrophobicContact CG1-CD1 3.86Å; V929-L940 HydrophobicContact CG2-CD1 3.4Å; V929-L940 VanDerWaalsContact CG2-CD1 3.4Å; F931-L940 HydrophobicContact CZ-CD1 4.43Å; L940-D944 HydrophobicContact CD2-CB 3.69Å; L940-V964 HydrophobicContact CD1-CG1 3.67Å; L940-V964 HydrophobicContact CD1-CG2 4.42Å; L940-V964 HydrophobicContact CD2-CG1 3.57Å; L940-V964 HydrophobicContact CG-CG1 4.29Å; L940-W966 HydrophobicContact CD1-CZ3 4.37Å; L940-W966 HydrophobicContact CD2-CE3 3.89Å; L940-W966 HydrophobicContact CD2-CZ3 3.72Å; L940-W966 HydrophobicContact CG-CZ3 4.12Å |
| 941 | Y | 85.8 | Confident | 81.6 | Confident | 94 Ų | 94 | 61.2 Ų | 61.2 | 37% | 0.369 | 34% | 0.337 | S | S | . | . | trans | -87.9 | 158.7 | 169.1 | -69.7 | -86.9 | 0 | 0 | 0 | 111.6 | F926 E943 D944 | F926-Y941 HydrophobicContact CE1-CD1 4.26Å; F926-Y941 AromaticContact CE1-CE1 3.68Å; F926-Y941 HydrophobicContact CE1-CE1 3.68Å; F926-Y941 HydrophobicContact CE1-CE2 4.07Å; F926-Y941 AromaticContact CE1-CZ 3.58Å; F926-Y941 AromaticContact CZ-CE1 3.97Å; F926-Y941 HydrophobicContact CZ-CE1 3.97Å; Y941-E943 VanDerWaalsContact C-N 3.25Å; Y941-E943 PolarHBondContact O-N 2.92Å; Y941-D944 PolarHBondContact N-OD2 2.94Å; Y941-D944 WeakPolarHBondContact O-CB 3.46Å; Y941-D944 PolarHBondContact O-N 3.28Å | ||
| 942 | P | 84.8 | Confident | 81 | Confident | 14 Ų | 14 | 68 Ų | 68 | 9% | 0.091 | 37% | 0.369 | C | S | . | . | G | 310 helix | trans | -59.5 | -34.9 | 175.9 | -24.2 | 35.9 | 0 | 0 | 0 | 113.1 | T925 Y927 D944 I945 C950 L951 | T925-P942 WeakPolarHBondContact O-CD 3.48Å; Y927-P942 HydrophobicContact CE1-CG 4.19Å; Y927-P942 HydrophobicContact CE2-CB 3.82Å; Y927-P942 HydrophobicContact CE2-CG 4.21Å; P942-D944 VanDerWaalsContact C-N 3.28Å; P942-D944 PolarHBondContact O-N 3.38Å; P942-I945 WeakPolarHBondContact O-CB 3.48Å; P942-I945 PolarHBondContact O-N 3.19Å; P942-C950 HydrophobicContact CB-CB 3.89Å; P942-L951 HydrophobicContact CB-CD2 3.82Å; P942-L951 HydrophobicContact CB-CG 4.26Å; P942-L951 HydrophobicContact CG-CD2 4.26Å |
| 943 | E | 85.4 | Confident | 81.2 | Confident | 101 Ų | 101 | 69.3 Ų | 69.3 | 47% | 0.472 | 38% | 0.376 | S | S | . | . | G | 310 helix | trans | -70.6 | -14 | 174.6 | 55.6 | -99 | -126.4 | 0 | 0 | 115.2 | Y941 I945 L951 | Y941-E943 VanDerWaalsContact C-N 3.25Å; Y941-E943 PolarHBondContact O-N 2.92Å; E943-I945 VanDerWaalsContact C-N 3.25Å; E943-L951 HydrophobicContact CB-CD1 4.18Å |
| 944 | D | 87.4 | Confident | 81.7 | Confident | 45 Ų | 45 | 64.2 Ų | 64.2 | 24% | 0.241 | 35% | 0.354 | C | S | . | . | G | 310 helix | trans | -74.3 | -20.8 | 171.6 | -64 | -38.7 | 0 | 0 | 0 | 111 | L940 Y941 P942 V946 V964 R965 | L940-D944 HydrophobicContact CD2-CB 3.69Å; Y941-D944 PolarHBondContact N-OD2 2.94Å; Y941-D944 WeakPolarHBondContact O-CB 3.46Å; Y941-D944 PolarHBondContact O-N 3.28Å; P942-D944 VanDerWaalsContact C-N 3.28Å; P942-D944 PolarHBondContact O-N 3.38Å; D944-V946 PolarHBondContact O-N 2.92Å; D944-V964 HydrophobicContact CB-CG1 4.41Å; D944-V964 CarbonylContact O-C 3.56Å; D944-V964 WeakPolarHBondContact O-CA 3.27Å; D944-R965 PolarHBondContact O-N 3.15Å |
| 945 | I | 86.4 | Confident | 82.6 | Confident | 7 Ų | 7 | 64.2 Ų | 64.2 | 4% | 0.036 | 34% | 0.341 | C | S | . | . | B | Isolated β-bridge | trans | -76.7 | 112.5 | 171.2 | -52.3 | -54.6 | 0 | 0 | 0 | 109.2 | Y927 V929 P942 E943 S947 Q948 V962 Q963 V964 | Y927-I945 HydrophobicContact CD2-CD1 4.33Å; Y927-I945 HydrophobicContact CD2-CG1 3.68Å; Y927-I945 HydrophobicContact CE2-CG1 4.03Å; V929-I945 HydrophobicContact CG1-CD1 4.47Å; P942-I945 WeakPolarHBondContact O-CB 3.48Å; P942-I945 PolarHBondContact O-N 3.19Å; E943-I945 VanDerWaalsContact C-N 3.25Å; I945-S947 WeakPolarHBondContact CG2-OG 3.45Å; I945-Q948 HydrophobicContact CG2-CG 4.33Å; I945-V962 HydrophobicContact CD1-CB 4.45Å; I945-V962 HydrophobicContact CD1-CG2 4.21Å; I945-V962 HydrophobicContact CG2-CB 4.16Å; I945-V962 HydrophobicContact CG2-CG1 4.23Å; I945-Q963 CarbonylContact C-O 3.59Å; I945-V964 HydrophobicContact CD1-CG2 3.9Å |
| 946 | V | 87.1 | Confident | 83.4 | Confident | 49 Ų | 49 | 62.2 Ų | 62.2 | 30% | 0.297 | 33% | 0.327 | S | S | . | . | trans | -99.3 | -8.6 | -179.9 | -62.3 | 0 | 0 | 0 | 0 | 113.8 | D944 Q963 R965 V971 | D944-V946 PolarHBondContact O-N 2.92Å; V946-Q963 HydrophobicContact CG2-CB 3.79Å; V946-Q963 WeakPolarHBondContact CG2-O 3.28Å; V946-Q963 PolarHBondContact N-O 2.89Å; V946-R965 HydrophobicContact CG1-CB 3.73Å; V946-V971 HydrophobicContact CG2-CG1 3.65Å; V946-V971 HydrophobicContact CG2-CG2 4.11Å | ||
| 947 | S | 84.5 | Confident | 83.3 | Confident | 56 Ų | 56 | 58.8 Ų | 58.8 | 39% | 0.392 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -74.1 | -23.8 | 176.2 | 45.8 | 0 | 0 | 0 | 0 | 113.9 | I945 V962 Q963 | I945-S947 WeakPolarHBondContact CG2-OG 3.45Å; S947-V962 WeakPolarHBondContact OG-CA 3.16Å; S947-Q963 PolarHBondContact N-O 3.29Å; S947-Q963 PolarHBondContact OG-N 2.74Å |
| 948 | Q | 81.1 | Confident | 83.4 | Confident | 55 Ų | 55 | 66 Ų | 66 | 26% | 0.257 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -154.9 | 156.2 | 176.4 | 70.4 | -178.6 | 9.5 | 0 | 0 | 110.9 | I945 C950 L953 | I945-Q948 HydrophobicContact CG2-CG 4.33Å; Q948-C950 VanDerWaalsContact C-N 3.35Å; Q948-C950 VanDerWaalsContact CG-SG 3.54Å; Q948-C950 PolarHBondContact NE2-SG 2.63Å; Q948-C950 VanDerWaalsContact NE2-SG 3.37Å; Q948-C950 PolarHBondContact O-N 2.74Å; Q948-L953 HydrophobicContact CB-CD1 4.32Å |
| 949 | D | 80.8 | Confident | 83 | Confident | 68 Ų | 68 | 64.6 Ų | 64.6 | 36% | 0.364 | 36% | 0.359 | S | S | . | . | trans | -77.3 | 84.6 | 174.4 | -173.4 | -22.4 | 0 | 0 | 0 | 110.5 | L951 Q952 L953 | D949-L951 PolarHBondContact O-N 3.46Å; D949-L951 WeakPolarHBondContact OD1-CB 3.39Å; D949-L951 PolarHBondContact OD1-N 2.82Å; D949-L951 VanDerWaalsContact OD1-N 3.1Å; D949-Q952 PolarHBondContact O-N 3.07Å; D949-Q952 PolarHBondContact OD1-N 2.77Å; D949-Q952 PolarHBondContact OD2-NE2 3.44Å; D949-L953 VanDerWaalsContact O-CB 3.26Å; D949-L953 WeakPolarHBondContact O-CB 3.39Å; D949-L953 WeakPolarHBondContact O-CG 3.23Å; D949-L953 PolarHBondContact O-N 3.12Å | ||
| 950 | C | 81.9 | Confident | 83.2 | Confident | 6 Ų | 6 | 65.3 Ų | 65.3 | 4% | 0.041 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -65.4 | -17.3 | 178.4 | -79.1 | 0 | 0 | 0 | 0 | 114.4 | Y927 P942 Q948 G954 | Y927-C950 HydrophobicContact CE2-CB 3.71Å; P942-C950 HydrophobicContact CB-CB 3.89Å; Q948-C950 VanDerWaalsContact C-N 3.35Å; Q948-C950 VanDerWaalsContact CG-SG 3.54Å; Q948-C950 PolarHBondContact NE2-SG 2.63Å; Q948-C950 VanDerWaalsContact NE2-SG 3.37Å; Q948-C950 PolarHBondContact O-N 2.74Å; C950-G954 WeakPolarHBondContact CA-O 3.46Å; C950-G954 CarbonylContact O-C 3.23Å; C950-G954 VanDerWaalsContact O-CA 3.32Å; C950-G954 WeakPolarHBondContact O-CA 3.36Å; C950-G954 PolarHBondContact O-N 3.01Å; C950-G954 VanDerWaalsContact O-N 3.09Å; C950-G954 PolarHBondContact SG-O 2.8Å; C950-G954 VanDerWaalsContact SG-O 3.37Å |
| 951 | L | 76.8 | Confident | 83.5 | Confident | 115 Ų | 115 | 69.7 Ų | 69.7 | 60% | 0.602 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -76 | -30.7 | 175.7 | -66.9 | 172.9 | 0 | 0 | 0 | 111.9 | P942 E943 D949 | P942-L951 HydrophobicContact CB-CD2 3.82Å; P942-L951 HydrophobicContact CB-CG 4.26Å; P942-L951 HydrophobicContact CG-CD2 4.26Å; E943-L951 HydrophobicContact CB-CD1 4.18Å; D949-L951 PolarHBondContact O-N 3.46Å; D949-L951 WeakPolarHBondContact OD1-CB 3.39Å; D949-L951 PolarHBondContact OD1-N 2.82Å; D949-L951 VanDerWaalsContact OD1-N 3.1Å |
| 952 | Q | 75.8 | Confident | 83.7 | Confident | 163 Ų | 163 | 65.3 Ų | 65.3 | 76% | 0.762 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -98.1 | -32.6 | 175.6 | -67.4 | -170.4 | 78.9 | 0 | 0 | 114.1 | D949 | D949-Q952 PolarHBondContact O-N 3.07Å; D949-Q952 PolarHBondContact OD1-N 2.77Å; D949-Q952 PolarHBondContact OD2-NE2 3.44Å |
| 953 | L | 79.6 | Confident | 84 | Confident | 130 Ų | 130 | 70 Ų | 70 | 68% | 0.681 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -97 | -18.3 | -174.4 | -59 | 173.3 | 0 | 0 | 0 | 113.6 | Q948 D949 | Q948-L953 HydrophobicContact CB-CD1 4.32Å; D949-L953 VanDerWaalsContact O-CB 3.26Å; D949-L953 WeakPolarHBondContact O-CB 3.39Å; D949-L953 WeakPolarHBondContact O-CG 3.23Å; D949-L953 PolarHBondContact O-N 3.12Å |
| 954 | G | 79 | Confident | 84.2 | Confident | 23 Ų | 23 | 65.1 Ų | 65.1 | 24% | 0.237 | 37% | 0.368 | C | S | . | . | trans | 88.4 | -172.3 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | C950 | C950-G954 WeakPolarHBondContact CA-O 3.46Å; C950-G954 CarbonylContact O-C 3.23Å; C950-G954 VanDerWaalsContact O-CA 3.32Å; C950-G954 WeakPolarHBondContact O-CA 3.36Å; C950-G954 PolarHBondContact O-N 3.01Å; C950-G954 VanDerWaalsContact O-N 3.09Å; C950-G954 PolarHBondContact SG-O 2.8Å; C950-G954 VanDerWaalsContact SG-O 3.37Å | ||
| 955 | P | 85.9 | Confident | 84.3 | Confident | 69 Ų | 69 | 68.9 Ų | 68.9 | 45% | 0.448 | 38% | 0.378 | S | S | . | . | P | Polyproline II helix | trans | -66.8 | 151 | -178.6 | 27.9 | -34.1 | 0 | 0 | 0 | 112.4 | Y927 F976 | Y927-P955 HydrophobicContact CE1-CB 3.96Å; Y927-P955 WeakPolarHBondContact OH-CA 3.4Å; P955-F976 HydrophobicContact CB-CE1 4.25Å; P955-F976 HydrophobicContact CB-CE2 4.46Å; P955-F976 HydrophobicContact CB-CZ 3.76Å |
| 956 | P | 87.7 | Confident | 84.2 | Confident | 10 Ų | 10 | 72.8 Ų | 72.8 | 7% | 0.065 | 39% | 0.393 | C | S | . | . | P | Polyproline II helix | trans | -60.8 | 169.8 | 168 | -11.5 | 24.1 | 0 | 0 | 0 | 112.6 | E960 V962 F976 | P956-E960 HydrophobicContact CB-CB 4.23Å; P956-E960 WeakPolarHBondContact CB-OE2 3.37Å; P956-V962 HydrophobicContact CB-CG1 3.92Å; P956-V962 HydrophobicContact CG-CG1 3.62Å; P956-F976 HydrophobicContact CB-CB 3.78Å; P956-F976 HydrophobicContact CB-CD1 3.88Å; P956-F976 HydrophobicContact CB-CD2 4.38Å; P956-F976 HydrophobicContact CB-CG 3.75Å; P956-F976 HydrophobicContact CG-CB 3.87Å; P956-F976 HydrophobicContact CG-CD1 4.16Å; P956-F976 HydrophobicContact CG-CD2 3.78Å; P956-F976 HydrophobicContact CG-CE2 4.35Å; P956-F976 HydrophobicContact CG-CG 3.66Å; P956-F976 VanDerWaalsContact O-CD1 3.3Å; P956-F976 WeakPolarHBondContact O-CD1 3.44Å; P956-F976 WeakPolarHBondContact O-CE1 3.34Å |
| 957 | A | 84.6 | Confident | 83.7 | Confident | 61 Ų | 61 | 77 Ų | 77 | 50% | 0.504 | 42% | 0.418 | S | S | . | . | P | Polyproline II helix | trans | -75 | 148.3 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | G959 E960 F976 | A957-G959 PolarHBondContact O-N 3.07Å; A957-E960 HydrophobicContact CB-CB 4.23Å; A957-E960 PolarHBondContact N-OE2 3.43Å; A957-E960 WeakPolarHBondContact O-CB 3.28Å; A957-E960 PolarHBondContact O-N 3.48Å; A957-F976 WeakPolarHBondContact O-CD1 3.38Å |
| 958 | E | 83.9 | Confident | 83.2 | Confident | 167 Ų | 167 | 78.2 Ų | 78.2 | 78% | 0.78 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | 126.9 | 174.1 | -178.1 | 176.1 | 178.7 | 0 | 0 | 110.6 | E960 V977 | E958-E960 VanDerWaalsContact C-N 3.35Å; E958-V977 WeakPolarHBondContact CG-O 3.46Å |
| 959 | G | 78.6 | Confident | 82.9 | Confident | 48 Ų | 48 | 78.1 Ų | 78.1 | 50% | 0.495 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.2 | -3.8 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | A957 F976 | A957-G959 PolarHBondContact O-N 3.07Å; G959-F976 WeakPolarHBondContact CA-O 3.34Å; G959-F976 PolarHBondContact N-O 2.79Å |
| 960 | E | 87.3 | Confident | 82.8 | Confident | 85 Ų | 85 | 80.4 Ų | 80.4 | 40% | 0.397 | 44% | 0.443 | S | S | . | . | trans | -69.4 | 135.7 | 179.7 | -173.3 | 162.7 | -148.3 | 0 | 0 | 112.2 | P956 A957 E958 V962 K975 F976 | P956-E960 HydrophobicContact CB-CB 4.23Å; P956-E960 WeakPolarHBondContact CB-OE2 3.37Å; A957-E960 HydrophobicContact CB-CB 4.23Å; A957-E960 PolarHBondContact N-OE2 3.43Å; A957-E960 WeakPolarHBondContact O-CB 3.28Å; A957-E960 PolarHBondContact O-N 3.48Å; E958-E960 VanDerWaalsContact C-N 3.35Å; E960-V962 PolarHBondContact O-N 3.34Å; E960-K975 CarbonylContact O-C 3.57Å; E960-K975 VanDerWaalsContact O-CA 3.3Å; E960-K975 WeakPolarHBondContact O-CA 2.97Å; E960-F976 PolarHBondContact O-N 2.9Å | ||
| 961 | V | 89 | Confident | 83.2 | Confident | 98 Ų | 98 | 83.5 Ų | 83.5 | 59% | 0.594 | 46% | 0.462 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79 | 114.4 | -179.5 | -179 | 0 | 0 | 0 | 0 | 109.7 | A974 K975 | V961-A974 CarbonylContact C-O 3.59Å; V961-A974 WeakPolarHBondContact CA-O 3.18Å; V961-K975 HydrophobicContact CG2-CG 4.05Å |
| 962 | V | 91 | Very high | 83.7 | Confident | 2 Ų | 2 | 82.4 Ų | 82.4 | 1% | 0.012 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 157.9 | -179.6 | -67.4 | 0 | 0 | 0 | 0 | 111.5 | V929 I945 S947 P956 E960 V964 A974 F976 | V929-V962 HydrophobicContact CG1-CG2 4.34Å; I945-V962 HydrophobicContact CD1-CB 4.45Å; I945-V962 HydrophobicContact CD1-CG2 4.21Å; I945-V962 HydrophobicContact CG2-CB 4.16Å; I945-V962 HydrophobicContact CG2-CG1 4.23Å; S947-V962 WeakPolarHBondContact OG-CA 3.16Å; P956-V962 HydrophobicContact CB-CG1 3.92Å; P956-V962 HydrophobicContact CG-CG1 3.62Å; E960-V962 PolarHBondContact O-N 3.34Å; V962-V964 HydrophobicContact CG2-CG2 4.09Å; V962-A974 HydrophobicContact CG2-CB 4.21Å; V962-A974 PolarHBondContact N-O 3.45Å; V962-A974 PolarHBondContact O-N 3.27Å; V962-A974 VanDerWaalsContact O-O 3.09Å; V962-F976 HydrophobicContact CG1-CB 4.25Å; V962-F976 HydrophobicContact CG2-CB 4.42Å |
| 963 | Q | 90.4 | Very high | 84.4 | Confident | 111 Ų | 111 | 76 Ų | 76 | 52% | 0.519 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 127.2 | 168.1 | -68.4 | -173.2 | -0.5 | 0 | 0 | 109.2 | I945 V946 S947 V971 Y972 | I945-Q963 CarbonylContact C-O 3.59Å; V946-Q963 HydrophobicContact CG2-CB 3.79Å; V946-Q963 WeakPolarHBondContact CG2-O 3.28Å; V946-Q963 PolarHBondContact N-O 2.89Å; S947-Q963 PolarHBondContact N-O 3.29Å; S947-Q963 PolarHBondContact OG-N 2.74Å; Q963-V971 HydrophobicContact CB-CG1 3.83Å; Q963-V971 HydrophobicContact CG-CG1 4.48Å; Q963-Y972 WeakPolarHBondContact CA-O 3.21Å |
| 964 | V | 90.3 | Very high | 84.9 | Confident | 0 Ų | 0 | 69.8 Ų | 69.8 | 0% | 0 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 122.7 | -174.5 | -172.6 | 0 | 0 | 0 | 0 | 109.1 | V929 F931 L940 D944 I945 V962 W966 V971 Y972 A974 | V929-V964 HydrophobicContact CG2-CG2 4.4Å; F931-V964 HydrophobicContact CE1-CB 4.02Å; F931-V964 HydrophobicContact CE1-CG1 4.31Å; F931-V964 HydrophobicContact CE1-CG2 4.17Å; F931-V964 HydrophobicContact CZ-CB 4.47Å; F931-V964 HydrophobicContact CZ-CG1 4.3Å; L940-V964 HydrophobicContact CD1-CG1 3.67Å; L940-V964 HydrophobicContact CD1-CG2 4.42Å; L940-V964 HydrophobicContact CD2-CG1 3.57Å; L940-V964 HydrophobicContact CG-CG1 4.29Å; D944-V964 HydrophobicContact CB-CG1 4.41Å; D944-V964 CarbonylContact O-C 3.56Å; D944-V964 WeakPolarHBondContact O-CA 3.27Å; I945-V964 HydrophobicContact CD1-CG2 3.9Å; V962-V964 HydrophobicContact CG2-CG2 4.09Å; V964-W966 HydrophobicContact CG1-CE3 4.48Å; V964-V971 CarbonylContact O-C 3.57Å; V964-V971 WeakPolarHBondContact O-CA 3.5Å; V964-Y972 PolarHBondContact N-O 3.25Å; V964-Y972 PolarHBondContact O-N 2.96Å; V964-A974 HydrophobicContact CG2-CB 3.83Å |
| 965 | R | 88 | Confident | 85.5 | Confident | 123 Ų | 123 | 73.3 Ų | 73.3 | 46% | 0.464 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 121.5 | 164.9 | -178.1 | -177.5 | -65.2 | 129.7 | 1.8 | 108.2 | D944 V946 Q970 V971 | D944-R965 PolarHBondContact O-N 3.15Å; V946-R965 HydrophobicContact CG1-CB 3.73Å; R965-Q970 CarbonylContact C-O 3.57Å; R965-Q970 WeakPolarHBondContact CA-O 3.3Å; R965-V971 HydrophobicContact CB-CG2 4.35Å |
| 966 | W | 85.4 | Confident | 85.7 | Confident | 90 Ų | 90 | 70.4 Ų | 70.4 | 34% | 0.341 | 39% | 0.385 | S | S | . | . | trans | -95.7 | 172.1 | -179.2 | -164.5 | -110.2 | 0 | 0 | 0 | 112 | F931 L940 V964 D968 G969 Q970 Y972 | F931-W966 HydrophobicContact CE2-CE3 4.38Å; F931-W966 HydrophobicContact CE2-CH2 4.4Å; F931-W966 AromaticContact CE2-CZ3 3.93Å; F931-W966 HydrophobicContact CE2-CZ3 3.93Å; F931-W966 AromaticContact CZ-CE3 3.67Å; F931-W966 HydrophobicContact CZ-CE3 3.67Å; F931-W966 HydrophobicContact CZ-CH2 4.47Å; F931-W966 AromaticContact CZ-CZ3 3.62Å; F931-W966 HydrophobicContact CZ-CZ3 3.62Å; L940-W966 HydrophobicContact CD1-CZ3 4.37Å; L940-W966 HydrophobicContact CD2-CE3 3.89Å; L940-W966 HydrophobicContact CD2-CZ3 3.72Å; L940-W966 HydrophobicContact CG-CZ3 4.12Å; V964-W966 HydrophobicContact CG1-CE3 4.48Å; W966-D968 PolarHBondContact O-N 3.16Å; W966-G969 PolarHBondContact O-N 2.85Å; W966-Q970 PolarHBondContact N-O 3.25Å; W966-Y972 HydrophobicContact CB-CD2 3.75Å; W966-Y972 HydrophobicContact CB-CE2 3.78Å; W966-Y972 HydrophobicContact CG-CE2 4.47Å | ||
| 967 | T | 77.3 | Confident | 85.7 | Confident | 136 Ų | 136 | 71.4 Ų | 71.4 | 83% | 0.834 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -9.5 | -175.4 | 56 | 0 | 0 | 0 | 0 | 115.4 | ||
| 968 | D | 72.5 | Confident | 85.6 | Confident | 83 Ų | 83 | 69.8 Ų | 69.8 | 44% | 0.444 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | -2.4 | 171.7 | 72 | -22.7 | 0 | 0 | 0 | 113.3 | W966 Q970 Y972 | W966-D968 PolarHBondContact O-N 3.16Å; D968-Q970 PolarHBondContact OD1-N 2.81Å; D968-Q970 PolarHBondContact OD2-NE2 3.3Å; D968-Y972 PolarHBondContact OD2-OH 3.28Å |
| 969 | G | 75 | Confident | 85.7 | Confident | 53 Ų | 53 | 64.1 Ų | 64.1 | 55% | 0.546 | 36% | 0.355 | S | S | . | . | S | Bend | trans | 86.6 | -3.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115 | W966 | W966-G969 PolarHBondContact O-N 2.85Š|
| 970 | Q | 80 | Confident | 85.8 | Confident | 116 Ų | 116 | 65.2 Ų | 65.2 | 54% | 0.542 | 35% | 0.348 | S | S | . | . | trans | -84.7 | 163.7 | 177.6 | -64.2 | -172.8 | 92.5 | 0 | 0 | 111.6 | R965 W966 D968 Y972 | R965-Q970 CarbonylContact C-O 3.57Å; R965-Q970 WeakPolarHBondContact CA-O 3.3Å; W966-Q970 PolarHBondContact N-O 3.25Å; D968-Q970 PolarHBondContact OD1-N 2.81Å; D968-Q970 PolarHBondContact OD2-NE2 3.3Å; Q970-Y972 HydrophobicContact CB-CD2 4.49Å; Q970-Y972 HydrophobicContact CB-CE2 3.68Å; Q970-Y972 PolarHBondContact NE2-OH 2.74Å | ||
| 971 | V | 88.9 | Confident | 85.4 | Confident | 71 Ų | 71 | 65.3 Ų | 65.3 | 43% | 0.43 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 127.9 | -178.7 | 179.1 | 0 | 0 | 0 | 0 | 110 | V946 Q963 V964 R965 | V946-V971 HydrophobicContact CG2-CG1 3.65Å; V946-V971 HydrophobicContact CG2-CG2 4.11Å; Q963-V971 HydrophobicContact CB-CG1 3.83Å; Q963-V971 HydrophobicContact CG-CG1 4.48Å; V964-V971 CarbonylContact O-C 3.57Å; V964-V971 WeakPolarHBondContact O-CA 3.5Å; R965-V971 HydrophobicContact CB-CG2 4.35Å |
| 972 | Y | 88.5 | Confident | 85 | Confident | 92 Ų | 92 | 63 Ų | 63 | 36% | 0.361 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 150.5 | -174.1 | -65.4 | -88 | 0 | 0 | 0 | 111.6 | Q963 V964 W966 D968 Q970 | Q963-Y972 WeakPolarHBondContact CA-O 3.21Å; V964-Y972 PolarHBondContact N-O 3.25Å; V964-Y972 PolarHBondContact O-N 2.96Å; W966-Y972 HydrophobicContact CB-CD2 3.75Å; W966-Y972 HydrophobicContact CB-CE2 3.78Å; W966-Y972 HydrophobicContact CG-CE2 4.47Å; D968-Y972 PolarHBondContact OD2-OH 3.28Å; Q970-Y972 HydrophobicContact CB-CD2 4.49Å; Q970-Y972 HydrophobicContact CB-CE2 3.68Å; Q970-Y972 PolarHBondContact NE2-OH 2.74Å |
| 973 | G | 89.4 | Confident | 84.4 | Confident | 28 Ų | 28 | 67.3 Ų | 67.3 | 29% | 0.289 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 133.2 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | D932 | D932-G973 PolarHBondContact N-O 2.71Å; D932-G973 VanDerWaalsContact OD2-C 3.3Å; D932-G973 WeakPolarHBondContact OD2-CA 3.32Å |
| 974 | A | 90.9 | Very high | 84 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 170 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | V929 N930 F931 V961 V962 V964 | V929-A974 HydrophobicContact CB-CB 3.95Å; V929-A974 HydrophobicContact CG2-CB 3.9Å; N930-A974 CarbonylContact O-C 3.44Å; N930-A974 VanDerWaalsContact O-CA 3.29Å; N930-A974 WeakPolarHBondContact O-CA 3.32Å; N930-A974 WeakPolarHBondContact O-CB 3.45Å; F931-A974 HydrophobicContact CD1-CB 3.73Å; F931-A974 HydrophobicContact CE1-CB 4.07Å; F931-A974 HydrophobicContact CG-CB 4.17Å; V961-A974 CarbonylContact C-O 3.59Å; V961-A974 WeakPolarHBondContact CA-O 3.18Å; V962-A974 HydrophobicContact CG2-CB 4.21Å; V962-A974 PolarHBondContact N-O 3.45Å; V962-A974 PolarHBondContact O-N 3.27Å; V962-A974 VanDerWaalsContact O-O 3.09Å; V964-A974 HydrophobicContact CG2-CB 3.83Å |
| 975 | K | 90.6 | Very high | 83.9 | Confident | 97 Ų | 97 | 63.3 Ų | 63.3 | 42% | 0.422 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 127.5 | 170.9 | -67.8 | 168 | -167.5 | 166.2 | 0 | 108.9 | V929 N930 E960 V961 | V929-K975 CarbonylContact C-O 3.46Å; V929-K975 VanDerWaalsContact CA-O 3.22Å; V929-K975 WeakPolarHBondContact CA-O 3.47Å; N930-K975 PolarHBondContact N-O 3.02Å; N930-K975 PolarHBondContact O-N 3.36Å; E960-K975 CarbonylContact O-C 3.57Å; E960-K975 VanDerWaalsContact O-CA 3.3Å; E960-K975 WeakPolarHBondContact O-CA 2.97Å; V961-K975 HydrophobicContact CG2-CG 4.05Å |
| 976 | F | 90.8 | Very high | 83.8 | Confident | 8 Ų | 8 | 58.6 Ų | 58.6 | 4% | 0.035 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 144.1 | 174.8 | -179.6 | -100.4 | 0 | 0 | 0 | 110.9 | Y927 V929 P955 P956 A957 G959 E960 V962 A978 | Y927-F976 AromaticContact CD1-CE2 3.89Å; Y927-F976 HydrophobicContact CD1-CE2 3.89Å; Y927-F976 HydrophobicContact CD1-CZ 4.46Å; Y927-F976 HydrophobicContact CD2-CD2 4.47Å; Y927-F976 HydrophobicContact CD2-CE2 4.03Å; Y927-F976 HydrophobicContact CE1-CE2 4.45Å; Y927-F976 HydrophobicContact CG-CD2 4.39Å; Y927-F976 AromaticContact CG-CE2 3.67Å; Y927-F976 HydrophobicContact CG-CE2 3.67Å; V929-F976 HydrophobicContact CG1-CD2 4.43Å; P955-F976 HydrophobicContact CB-CE1 4.25Å; P955-F976 HydrophobicContact CB-CE2 4.46Å; P955-F976 HydrophobicContact CB-CZ 3.76Å; P956-F976 HydrophobicContact CB-CB 3.78Å; P956-F976 HydrophobicContact CB-CD1 3.88Å; P956-F976 HydrophobicContact CB-CD2 4.38Å; P956-F976 HydrophobicContact CB-CG 3.75Å; P956-F976 HydrophobicContact CG-CB 3.87Å; P956-F976 HydrophobicContact CG-CD1 4.16Å; P956-F976 HydrophobicContact CG-CD2 3.78Å; P956-F976 HydrophobicContact CG-CE2 4.35Å; P956-F976 HydrophobicContact CG-CG 3.66Å; P956-F976 VanDerWaalsContact O-CD1 3.3Å; P956-F976 WeakPolarHBondContact O-CD1 3.44Å; P956-F976 WeakPolarHBondContact O-CE1 3.34Å; A957-F976 WeakPolarHBondContact O-CD1 3.38Å; G959-F976 WeakPolarHBondContact CA-O 3.34Å; G959-F976 PolarHBondContact N-O 2.79Å; E960-F976 PolarHBondContact O-N 2.9Å; V962-F976 HydrophobicContact CG1-CB 4.25Å; V962-F976 HydrophobicContact CG2-CB 4.42Å; F976-A978 VanDerWaalsContact CE2-O 3.24Å; F976-A978 WeakPolarHBondContact CE2-O 3.42Å; F976-A978 VanDerWaalsContact CZ-O 3.32Å; F976-A978 WeakPolarHBondContact CZ-O 3.44Å |
| 977 | V | 88.3 | Confident | 84.1 | Confident | 31 Ų | 31 | 54.3 Ų | 54.3 | 19% | 0.188 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | -61.2 | -178.5 | -176.2 | 0 | 0 | 0 | 0 | 109.8 | E928 N930 E958 | E928-V977 HydrophobicContact CB-CB 4.13Å; E928-V977 HydrophobicContact CG-CB 3.96Å; E928-V977 HydrophobicContact CG-CG1 4.32Å; E928-V977 HydrophobicContact CG-CG2 4.4Å; E928-V977 PolarHBondContact O-N 2.84Å; N930-V977 HydrophobicContact CB-CG2 4.46Å; N930-V977 WeakPolarHBondContact ND2-CG2 3.45Å; E958-V977 WeakPolarHBondContact CG-O 3.46Å |
| 978 | A | 82.5 | Confident | 84.6 | Confident | 27 Ų | 27 | 51.2 Ų | 51.2 | 22% | 0.223 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 159.1 | -172.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | E928 F976 | E928-A978 HydrophobicContact CB-CB 4.25Å; E928-A978 PolarHBondContact N-O 2.78Å; E928-A978 PolarHBondContact O-N 3.43Å; F976-A978 VanDerWaalsContact CE2-O 3.24Å; F976-A978 WeakPolarHBondContact CE2-O 3.42Å; F976-A978 VanDerWaalsContact CZ-O 3.32Å; F976-A978 WeakPolarHBondContact CZ-O 3.44Å |
| 979 | S | 85.4 | Confident | 85.3 | Confident | 47 Ų | 47 | 47.6 Ų | 47.6 | 33% | 0.329 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 122.8 | 169.4 | 61.2 | 0 | 0 | 0 | 0 | 110.6 | F926 P981 | F926-S979 CarbonylContact O-C 3.59Å; F926-S979 WeakPolarHBondContact O-CA 3.36Å; S979-P981 WeakPolarHBondContact O-CD 3.47Å |
| 980 | H | 79.9 | Confident | 85.6 | Confident | 72 Ų | 72 | 48.6 Ų | 48.6 | 33% | 0.333 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 96.1 | -177.7 | -61.4 | -60.7 | 0 | 0 | 0 | 110.5 | F926 E928 I982 | F926-H980 PolarHBondContact N-O 2.74Å; F926-H980 PolarHBondContact O-N 3.2Å; E928-H980 IonicContact OE2-CD2 3.63Å; E928-H980 IonicContact OE2-CE1 3.82Å; E928-H980 IonicContact OE2-NE2 3.71Å; E928-H980 PolarHBondContact OE2-NE2 3.35Å; H980-I982 HydrophobicContact CB-CG1 4.43Å; H980-I982 PolarHBondContact O-N 3.27Å; H980-I982 VanDerWaalsContact O-N 3.1Å |
| 981 | P | 80.1 | Confident | 85.5 | Confident | 87 Ų | 87 | 45.9 Ų | 45.9 | 57% | 0.565 | 24% | 0.243 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 99.5 | 173 | 29.1 | -33.8 | 0 | 0 | 0 | 110.3 | T923 S979 | T923-P981 HydrophobicContact CG2-CB 3.89Å; S979-P981 WeakPolarHBondContact O-CD 3.47Å |
| 982 | I | 78.9 | Confident | 85 | Confident | 49 Ų | 49 | 44.8 Ų | 44.8 | 25% | 0.251 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 130.8 | -178.5 | -63.3 | -178.4 | 0 | 0 | 0 | 109.7 | T923 E924 F926 H980 M984 K998 | T923-I982 WeakPolarHBondContact CA-O 3.47Å; E924-I982 PolarHBondContact N-O 2.99Å; E924-I982 PolarHBondContact O-N 3.17Å; F926-I982 HydrophobicContact CD2-CB 4.03Å; F926-I982 HydrophobicContact CD2-CD1 3.7Å; F926-I982 HydrophobicContact CD2-CG1 4.01Å; F926-I982 HydrophobicContact CE2-CB 4.17Å; F926-I982 HydrophobicContact CE2-CD1 4.27Å; F926-I982 HydrophobicContact CG-CD1 4.45Å; H980-I982 HydrophobicContact CB-CG1 4.43Å; H980-I982 PolarHBondContact O-N 3.27Å; H980-I982 VanDerWaalsContact O-N 3.1Å; I982-M984 HydrophobicContact CG2-SD 3.99Å; I982-M984 PolarHBondContact O-N 3Å; I982-K998 HydrophobicContact CG2-CG 4.29Å |
| 983 | Q | 79.8 | Confident | 84.7 | Confident | 93 Ų | 93 | 41.7 Ų | 41.7 | 44% | 0.435 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 120.2 | 171.8 | -173.6 | 166.3 | 75.2 | 0 | 0 | 110.6 | L921 Y985 | L921-Q983 VanDerWaalsContact CD2-CD 3.46Å; L921-Q983 HydrophobicContact CD2-CG 4.01Å; Q983-Y985 HydrophobicContact CG-CE2 4.28Å; Q983-Y985 WeakPolarHBondContact O-CE2 3.34Å; Q983-Y985 PolarHBondContact OE1-OH 3.03Å |
| 984 | M | 82 | Confident | 84.6 | Confident | 14 Ų | 14 | 44.3 Ų | 44.3 | 7% | 0.069 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 148 | -178.9 | -60.3 | -66.9 | -96.1 | 0 | 0 | 110 | L921 T922 E924 F926 I982 V996 K998 | L921-M984 WeakPolarHBondContact CA-O 3.34Å; T922-M984 PolarHBondContact N-O 2.87Å; T922-M984 PolarHBondContact O-N 3.46Å; E924-M984 HydrophobicContact CB-CG 3.93Å; E924-M984 HydrophobicContact CG-CG 4.05Å; E924-M984 VanDerWaalsContact OE2-CE 3.29Å; E924-M984 WeakPolarHBondContact OE2-CE 3.42Å; F926-M984 HydrophobicContact CZ-CE 4.37Å; I982-M984 HydrophobicContact CG2-SD 3.99Å; I982-M984 PolarHBondContact O-N 3Å; M984-V996 HydrophobicContact CB-CG1 3.84Å; M984-V996 HydrophobicContact CE-CG1 4.17Å; M984-K998 HydrophobicContact CE-CG 4.05Å; M984-K998 HydrophobicContact SD-CB 4.35Å; M984-K998 HydrophobicContact SD-CG 3.44Å; M984-K998 WeakPolarHBondContact SD-CG 3.33Å |
| 985 | Y | 86.8 | Confident | 84.4 | Confident | 13 Ų | 13 | 46.3 Ų | 46.3 | 5% | 0.051 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 116.9 | -176.5 | -57.5 | -94.6 | 0 | 0 | 0 | 108.6 | I898 V918 L921 Q983 V996 V997 R999 | I898-Y985 HydrophobicContact CB-CD1 4.15Å; I898-Y985 HydrophobicContact CB-CE1 3.7Å; I898-Y985 HydrophobicContact CG2-CD1 3.83Å; I898-Y985 HydrophobicContact CG2-CE1 3.9Å; V918-Y985 HydrophobicContact CG1-CD1 4.38Å; L921-Y985 HydrophobicContact CD2-CD1 3.99Å; L921-Y985 HydrophobicContact CD2-CE1 3.5Å; L921-Y985 VanDerWaalsContact CD2-CE1 3.5Å; L921-Y985 HydrophobicContact CG-CD1 3.99Å; L921-Y985 HydrophobicContact CG-CE1 4.03Å; Q983-Y985 HydrophobicContact CG-CE2 4.28Å; Q983-Y985 WeakPolarHBondContact O-CE2 3.34Å; Q983-Y985 PolarHBondContact OE1-OH 3.03Å; Y985-V996 WeakPolarHBondContact O-CA 3.49Å; Y985-V997 PolarHBondContact N-O 2.61Å; Y985-V997 WeakPolarHBondContact O-CG2 3.47Å; Y985-V997 PolarHBondContact O-N 2.65Å; Y985-R999 HydrophobicContact CE2-CB 3.78Å; Y985-R999 HydrophobicContact CE2-CG 4.35Å |
| 986 | Q | 87.7 | Confident | 84.1 | Confident | 24 Ų | 24 | 44.7 Ų | 44.7 | 11% | 0.112 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 111.4 | 171 | -175 | 165.6 | -23.9 | 0 | 0 | 108.6 | V918 V919 R920 L995 V996 | V918-Q986 CarbonylContact C-O 3.57Å; V919-Q986 PolarHBondContact N-O 2.98Å; R920-Q986 HydrophobicContact CG-CB 3.9Å; R920-Q986 PolarHBondContact O-N 2.94Å; Q986-L995 CarbonylContact C-O 3.6Å; Q986-L995 WeakPolarHBondContact CA-O 3.44Å; Q986-V996 HydrophobicContact CB-CG2 4.27Å; Q986-V996 HydrophobicContact CG-CG2 4.21Å |
| 987 | V | 90.3 | Very high | 83.7 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 144.7 | 179.1 | -64.5 | 0 | 0 | 0 | 0 | 111.4 | V904 C916 E917 V918 F989 Q994 L995 V997 | V904-V987 HydrophobicContact CG2-CG1 3.9Å; C916-V987 HydrophobicContact CB-CB 4.18Å; E917-V987 CarbonylContact O-C 3.49Å; E917-V987 VanDerWaalsContact O-CA 3.32Å; E917-V987 WeakPolarHBondContact O-CA 3.47Å; V918-V987 HydrophobicContact CG2-CG1 4.04Å; V987-F989 HydrophobicContact CG2-CE2 4.08Å; V987-F989 HydrophobicContact CG2-CZ 4.19Å; V987-Q994 CarbonylContact O-C 3.58Å; V987-Q994 VanDerWaalsContact O-CA 3.3Å; V987-Q994 WeakPolarHBondContact O-CA 3.41Å; V987-L995 HydrophobicContact CG2-CB 4.07Å; V987-L995 PolarHBondContact N-O 3.37Å; V987-L995 PolarHBondContact O-N 2.84Å; V987-V997 HydrophobicContact CG1-CG2 4.39Å; V987-V997 HydrophobicContact CG2-CG2 4.01Å |
| 988 | E | 88.8 | Confident | 83.5 | Confident | 71 Ų | 71 | 46.7 Ų | 46.7 | 33% | 0.332 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 130.4 | 175.3 | 179.6 | 161.2 | -118.5 | 0 | 0 | 110.2 | C916 E917 V919 S993 Q994 | C916-E988 CarbonylContact C-O 3.49Å; C916-E988 WeakPolarHBondContact CA-O 3.13Å; C916-E988 WeakPolarHBondContact CB-O 3.15Å; E917-E988 PolarHBondContact N-O 3.44Å; E917-E988 PolarHBondContact O-N 3.49Å; V919-E988 HydrophobicContact CG2-CB 3.42Å; V919-E988 VanDerWaalsContact CG2-CB 3.42Å; V919-E988 HydrophobicContact CG2-CG 4.45Å; E988-S993 WeakPolarHBondContact CA-O 3.33Å; E988-Q994 HydrophobicContact CB-CG 4.02Å; E988-Q994 HydrophobicContact CG-CG 4.04Å; E988-Q994 PolarHBondContact OE1-NE2 3.08Å |
| 989 | F | 87.6 | Confident | 83.4 | Confident | 6 Ų | 6 | 47 Ų | 47 | 3% | 0.026 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 165.4 | 179.6 | -60.7 | -91.1 | 0 | 0 | 0 | 111.1 | H908 C916 V987 D991 G992 S993 L995 M1023 | H908-F989 HydrophobicContact CB-CD1 4.33Å; H908-F989 HydrophobicContact CB-CE1 3.96Å; H908-F989 HydrophobicContact CB-CE2 4.47Å; H908-F989 HydrophobicContact CB-CZ 4.04Å; H908-F989 AromaticContact CD2-CD2 3.94Å; H908-F989 AromaticContact CD2-CE2 3.99Å; C916-F989 HydrophobicContact CB-CD1 3.61Å; C916-F989 HydrophobicContact CB-CE1 3.82Å; C916-F989 HydrophobicContact CB-CG 4.03Å; C916-F989 HydrophobicContact CB-CZ 4.4Å; V987-F989 HydrophobicContact CG2-CE2 4.08Å; V987-F989 HydrophobicContact CG2-CZ 4.19Å; F989-D991 PolarHBondContact O-N 3.38Å; F989-G992 PolarHBondContact O-N 3.41Å; F989-S993 WeakPolarHBondContact CD2-O 3.44Å; F989-S993 WeakPolarHBondContact CD2-OG 3.38Å; F989-S993 PolarHBondContact N-O 2.89Å; F989-L995 HydrophobicContact CE2-CB 4Å; F989-L995 HydrophobicContact CE2-CD2 4.41Å; F989-L995 HydrophobicContact CZ-CD2 4.5Å; F989-M1023 HydrophobicContact CB-CE 3.61Å; F989-M1023 HydrophobicContact CB-SD 4.2Å; F989-M1023 HydrophobicContact CD1-SD 4.48Å; F989-M1023 HydrophobicContact CG-CE 4.31Å |
| 990 | E | 80.1 | Confident | 83 | Confident | 75 Ų | 75 | 50 Ų | 50 | 35% | 0.35 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -6.8 | -178.3 | -71.2 | -153.5 | 172.3 | 0 | 0 | 115.1 | A1020 R1024 | E990-A1020 HydrophobicContact CG-CB 4.29Å; E990-R1024 VanDerWaalsContact CD-NH2 3.33Å; E990-R1024 IonicContact OE1-NH2 3.27Å; E990-R1024 PolarHBondContact OE1-NH2 3.28Å; E990-R1024 IonicContact OE2-CZ 3.18Å; E990-R1024 IonicContact OE2-NE 2.74Å; E990-R1024 PolarHBondContact OE2-NE 2.87Å; E990-R1024 IonicContact OE2-NH2 2.77Å; E990-R1024 PolarHBondContact OE2-NH2 3.22Å |
| 991 | D | 77.9 | Confident | 83.1 | Confident | 58 Ų | 58 | 49.6 Ų | 49.6 | 31% | 0.31 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | 8.4 | 171.2 | 65.5 | -0.4 | 0 | 0 | 0 | 113.7 | H908 F989 S993 M1023 | H908-D991 IonicContact CE1-OD2 3.3Å; F989-D991 PolarHBondContact O-N 3.38Å; D991-S993 PolarHBondContact O-N 2.69Å; D991-S993 WeakPolarHBondContact OD1-CB 3.47Å; D991-S993 PolarHBondContact OD1-N 3.5Å; D991-S993 PolarHBondContact OD1-OG 2.61Å; D991-M1023 HydrophobicContact CB-CE 3.94Å; D991-M1023 WeakPolarHBondContact OD1-CE 3.46Å; D991-M1023 WeakPolarHBondContact OD2-CE 3.34Å |
| 992 | G | 77.9 | Confident | 83.2 | Confident | 49 Ų | 49 | 45.4 Ų | 45.4 | 51% | 0.505 | 24% | 0.241 | S | C | . | . | S | Bend | trans | 73.1 | 5.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | F989 | F989-G992 PolarHBondContact O-N 3.41Š|
| 993 | S | 83.8 | Confident | 83.5 | Confident | 27 Ų | 27 | 44.1 Ų | 44.1 | 19% | 0.189 | 23% | 0.233 | C | C | . | . | trans | -73.7 | 139.3 | 172.1 | 70.6 | 0 | 0 | 0 | 0 | 110.7 | H908 E988 F989 D991 | H908-S993 PolarHBondContact NE2-OG 3.39Å; E988-S993 WeakPolarHBondContact CA-O 3.33Å; F989-S993 WeakPolarHBondContact CD2-O 3.44Å; F989-S993 WeakPolarHBondContact CD2-OG 3.38Å; F989-S993 PolarHBondContact N-O 2.89Å; D991-S993 PolarHBondContact O-N 2.69Å; D991-S993 WeakPolarHBondContact OD1-CB 3.47Å; D991-S993 PolarHBondContact OD1-N 3.5Å; D991-S993 PolarHBondContact OD1-OG 2.61Å | ||
| 994 | Q | 86.9 | Confident | 83.7 | Confident | 82 Ų | 82 | 39.7 Ų | 39.7 | 38% | 0.383 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 148.8 | 177.9 | -59.6 | -171.3 | 4.5 | 0 | 0 | 111.8 | V987 E988 | V987-Q994 CarbonylContact O-C 3.58Å; V987-Q994 VanDerWaalsContact O-CA 3.3Å; V987-Q994 WeakPolarHBondContact O-CA 3.41Å; E988-Q994 HydrophobicContact CB-CG 4.02Å; E988-Q994 HydrophobicContact CG-CG 4.04Å; E988-Q994 PolarHBondContact OE1-NE2 3.08Å |
| 995 | L | 85.4 | Confident | 83.5 | Confident | 43 Ų | 43 | 43 Ų | 43 | 23% | 0.225 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 142.6 | -177.2 | -167.8 | 78.7 | 0 | 0 | 0 | 110 | K907 K909 Q986 V987 F989 V997 | K907-L995 WeakPolarHBondContact O-CD2 3.32Å; K909-L995 HydrophobicContact CG-CD1 4.38Å; Q986-L995 CarbonylContact C-O 3.6Å; Q986-L995 WeakPolarHBondContact CA-O 3.44Å; V987-L995 HydrophobicContact CG2-CB 4.07Å; V987-L995 PolarHBondContact N-O 3.37Å; V987-L995 PolarHBondContact O-N 2.84Å; F989-L995 HydrophobicContact CE2-CB 4Å; F989-L995 HydrophobicContact CE2-CD2 4.41Å; F989-L995 HydrophobicContact CZ-CD2 4.5Å; L995-V997 HydrophobicContact CD2-CG1 3.71Å; L995-V997 HydrophobicContact CG-CG1 4.22Å |
| 996 | V | 84.6 | Confident | 82.6 | Confident | 62 Ų | 62 | 48.8 Ų | 48.8 | 38% | 0.376 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 132 | 172 | -173.5 | 0 | 0 | 0 | 0 | 108.9 | M984 Y985 Q986 | M984-V996 HydrophobicContact CB-CG1 3.84Å; M984-V996 HydrophobicContact CE-CG1 4.17Å; Y985-V996 WeakPolarHBondContact O-CA 3.49Å; Q986-V996 HydrophobicContact CB-CG2 4.27Å; Q986-V996 HydrophobicContact CG-CG2 4.21Å |
| 997 | V | 83.8 | Confident | 81.9 | Confident | 18 Ų | 18 | 49 Ų | 49 | 11% | 0.109 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 147.7 | -172.3 | -87.4 | 0 | 0 | 0 | 0 | 112.8 | Y985 V987 L995 D1001 V1002 | Y985-V997 PolarHBondContact N-O 2.61Å; Y985-V997 WeakPolarHBondContact O-CG2 3.47Å; Y985-V997 PolarHBondContact O-N 2.65Å; V987-V997 HydrophobicContact CG1-CG2 4.39Å; V987-V997 HydrophobicContact CG2-CG2 4.01Å; L995-V997 HydrophobicContact CD2-CG1 3.71Å; L995-V997 HydrophobicContact CG-CG1 4.22Å; V997-D1001 HydrophobicContact CB-CB 4.48Å; V997-D1001 HydrophobicContact CG1-CB 4.32Å; V997-V1002 HydrophobicContact CB-CG2 4.11Å; V997-V1002 HydrophobicContact CG2-CG2 3.39Å |
| 998 | K | 83.1 | Confident | 80.8 | Confident | 63 Ų | 63 | 55.2 Ų | 55.2 | 27% | 0.274 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 157.6 | 169.9 | -68.6 | -176.5 | 179.5 | -169.8 | 0 | 110.3 | N939 I982 M984 D1000 D1001 | N939-K998 PolarHBondContact OD1-NZ 3.16Å; I982-K998 HydrophobicContact CG2-CG 4.29Å; M984-K998 HydrophobicContact CE-CG 4.05Å; M984-K998 HydrophobicContact SD-CB 4.35Å; M984-K998 HydrophobicContact SD-CG 3.44Å; M984-K998 WeakPolarHBondContact SD-CG 3.33Å; K998-D1000 PolarHBondContact O-N 3.35Å; K998-D1001 PolarHBondContact O-N 3.06Å; K998-D1001 VanDerWaalsContact O-N 3.16Å |
| 999 | R | 81.4 | Confident | 80.1 | Confident | 33 Ų | 33 | 52.7 Ų | 52.7 | 13% | 0.125 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -54.3 | -30.7 | -174.9 | -175.7 | 52.9 | 177.8 | 91.2 | -7.7 | 114.4 | L895 Q896 I898 Y985 D1001 V1002 E1007 | L895-R999 HydrophobicContact CD1-CG 4.12Å; Q896-R999 PolarHBondContact O-NH2 3.47Å; I898-R999 VanDerWaalsContact CD1-CZ 3.45Å; Y985-R999 HydrophobicContact CE2-CB 3.78Å; Y985-R999 HydrophobicContact CE2-CG 4.35Å; R999-D1001 VanDerWaalsContact C-N 3.29Å; R999-D1001 PolarHBondContact O-N 3.29Å; R999-V1002 PolarHBondContact NH1-O 2.71Å; R999-V1002 PolarHBondContact O-N 2.88Å; R999-E1007 IonicContact CZ-OE1 3.93Å; R999-E1007 IonicContact CZ-OE2 3.53Å; R999-E1007 IonicContact NH1-OE1 3.9Å; R999-E1007 IonicContact NH1-OE2 2.68Å; R999-E1007 PolarHBondContact NH1-OE2 2.69Å; R999-E1007 IonicContact NH2-OE1 3.7Å; R999-E1007 PolarHBondContact NH2-OE1 3.22Å; R999-E1007 IonicContact NH2-OE2 3.5Å; R999-E1007 PolarHBondContact NH2-OE2 2.89Å |
| 1000 | D | 76.9 | Confident | 79.4 | Confident | 111 Ų | 111 | 54.9 Ų | 54.9 | 59% | 0.594 | 30% | 0.295 | S | S | * | . | G | 310 helix | trans | -71.7 | -18.7 | -175.7 | -56.7 | -36.2 | 0 | 0 | 0 | 114.5 | K998 Y1003 | K998-D1000 PolarHBondContact O-N 3.35Å; D1000-Y1003 VanDerWaalsContact O-CZ 3.26Å; D1000-Y1003 PolarHBondContact O-OH 2.97Å |
| 1001 | D | 80.4 | Confident | 78.7 | Confident | 63 Ų | 63 | 60.5 Ų | 60.5 | 34% | 0.337 | 32% | 0.318 | S | S | . | . | G | 310 helix | trans | -103.8 | 10.8 | 177 | -79.7 | -45.8 | 0 | 0 | 0 | 112.7 | S906 V997 K998 R999 R1012 | S906-D1001 WeakPolarHBondContact CB-O 3.37Å; S906-D1001 PolarHBondContact OG-O 2.97Å; V997-D1001 HydrophobicContact CB-CB 4.48Å; V997-D1001 HydrophobicContact CG1-CB 4.32Å; K998-D1001 PolarHBondContact O-N 3.06Å; K998-D1001 VanDerWaalsContact O-N 3.16Å; R999-D1001 VanDerWaalsContact C-N 3.29Å; R999-D1001 PolarHBondContact O-N 3.29Å; D1001-R1012 IonicContact OD1-NH2 3.51Å |
| 1002 | V | 83.4 | Confident | 78.3 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 130.7 | 173.4 | -173.2 | 0 | 0 | 0 | 0 | 109.1 | I898 V904 V997 R999 | I898-V1002 HydrophobicContact CD1-CB 4.29Å; I898-V1002 HydrophobicContact CD1-CG1 3.63Å; V904-V1002 HydrophobicContact CB-CG1 3.65Å; V904-V1002 HydrophobicContact CG1-CG1 4Å; V904-V1002 HydrophobicContact CG2-CG1 3.6Å; V997-V1002 HydrophobicContact CB-CG2 4.11Å; V997-V1002 HydrophobicContact CG2-CG2 3.39Å; R999-V1002 PolarHBondContact NH1-O 2.71Å; R999-V1002 PolarHBondContact O-N 2.88Å |
| 1003 | Y | 85.6 | Confident | 78.3 | Confident | 21 Ų | 21 | 62.1 Ų | 62.1 | 8% | 0.082 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 138.5 | 178.3 | -50.4 | -75.3 | 0 | 0 | 0 | 110.2 | V904 I905 F913 D1000 E1007 L1009 P1010 R1012 V1013 | V904-Y1003 CarbonylContact C-O 3.57Å; V904-Y1003 WeakPolarHBondContact CA-O 3.36Å; V904-Y1003 WeakPolarHBondContact CB-O 3.21Å; I905-Y1003 PolarHBondContact N-O 3.12Å; I905-Y1003 PolarHBondContact O-N 2.78Å; F913-Y1003 HydrophobicContact CE1-CE2 4.11Å; D1000-Y1003 VanDerWaalsContact O-CZ 3.26Å; D1000-Y1003 PolarHBondContact O-OH 2.97Å; Y1003-E1007 WeakPolarHBondContact CA-OE2 3.44Å; Y1003-L1009 VanDerWaalsContact CB-CD2 3.41Å; Y1003-L1009 HydrophobicContact CD2-CD2 4.31Å; Y1003-L1009 HydrophobicContact CG-CD2 3.89Å; Y1003-P1010 HydrophobicContact CE1-CG 4.3Å; Y1003-R1012 PolarHBondContact OH-NH2 3.41Å; Y1003-V1013 HydrophobicContact CD2-CG1 4.34Å; Y1003-V1013 HydrophobicContact CD2-CG2 4.31Å; Y1003-V1013 HydrophobicContact CE2-CG1 4.47Å; Y1003-V1013 HydrophobicContact CE2-CG2 3.71Å |
| 1004 | T | 83.5 | Confident | 77.9 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 164.8 | 171.3 | 73.8 | 0 | 0 | 0 | 0 | 111 | Q896 I898 D1006 E1007 | Q896-T1004 HydrophobicContact CB-CG2 4.11Å; Q896-T1004 PolarHBondContact OE1-OG1 2.97Å; I898-T1004 HydrophobicContact CD1-CG2 4.13Å; I898-T1004 HydrophobicContact CG1-CG2 3.87Å; T1004-D1006 PolarHBondContact O-N 2.91Å; T1004-E1007 PolarHBondContact N-OE2 3Å; T1004-E1007 PolarHBondContact O-N 3.31Å; T1004-E1007 WeakPolarHBondContact OG1-CB 3.24Å; T1004-E1007 VanDerWaalsContact OG1-CG 3.25Å; T1004-E1007 WeakPolarHBondContact OG1-CG 3.28Å; T1004-E1007 PolarHBondContact OG1-N 3.38Å |
| 1005 | L | 77.8 | Confident | 77.1 | Confident | 83 Ų | 83 | 66.6 Ų | 66.6 | 44% | 0.435 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -66.7 | -26.6 | 178 | -61.5 | 174.4 | 0 | 0 | 0 | 112.6 | K903 I905 Q915 | K903-L1005 HydrophobicContact CB-CD1 4.08Å; I905-L1005 HydrophobicContact CD1-CD2 3.93Å; I905-L1005 HydrophobicContact CG1-CD2 3.99Å; Q915-L1005 HydrophobicContact CG-CD2 4.22Å |
| 1006 | D | 68.3 | Low | 76.7 | Confident | 135 Ų | 135 | 71 Ų | 71 | 72% | 0.722 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -92.3 | -9.9 | -179.7 | -51.6 | -74.9 | 0 | 0 | 0 | 112.9 | T1004 | T1004-D1006 PolarHBondContact O-N 2.91Š|
| 1007 | E | 72.7 | Confident | 76.5 | Confident | 28 Ų | 28 | 71.4 Ų | 71.4 | 13% | 0.131 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -75.1 | 140.5 | 176.3 | -90.1 | 167.9 | -175.6 | 0 | 0 | 111.9 | Q896 R999 Y1003 T1004 L1009 | Q896-E1007 PolarHBondContact N-OE1 2.65Å; R999-E1007 IonicContact CZ-OE1 3.93Å; R999-E1007 IonicContact CZ-OE2 3.53Å; R999-E1007 IonicContact NH1-OE1 3.9Å; R999-E1007 IonicContact NH1-OE2 2.68Å; R999-E1007 PolarHBondContact NH1-OE2 2.69Å; R999-E1007 IonicContact NH2-OE1 3.7Å; R999-E1007 PolarHBondContact NH2-OE1 3.22Å; R999-E1007 IonicContact NH2-OE2 3.5Å; R999-E1007 PolarHBondContact NH2-OE2 2.89Å; Y1003-E1007 WeakPolarHBondContact CA-OE2 3.44Å; T1004-E1007 PolarHBondContact N-OE2 3Å; T1004-E1007 PolarHBondContact O-N 3.31Å; T1004-E1007 WeakPolarHBondContact OG1-CB 3.24Å; T1004-E1007 VanDerWaalsContact OG1-CG 3.25Å; T1004-E1007 WeakPolarHBondContact OG1-CG 3.28Å; T1004-E1007 PolarHBondContact OG1-N 3.38Å; E1007-L1009 VanDerWaalsContact C-N 3.35Å; E1007-L1009 PolarHBondContact O-N 2.8Å |
| 1008 | E | 66.5 | Low | 76.3 | Confident | 131 Ų | 131 | 71 Ų | 71 | 61% | 0.612 | 34% | 0.343 | S | S | * | . | trans | -76.1 | 86.1 | -176.4 | -168.2 | -176.5 | 172.2 | 0 | 0 | 111.8 | R890 K1014 | R890-E1008 IonicContact NH1-OE2 3.45Å; R890-E1008 PolarHBondContact NH1-OE2 2.89Å; E1008-K1014 IonicContact OE1-NZ 3.34Å | ||
| 1009 | L | 74.6 | Confident | 75.7 | Confident | 19 Ų | 19 | 72.7 Ų | 72.7 | 10% | 0.099 | 36% | 0.358 | C | S | . | . | trans | -46.6 | 130 | -175.6 | -57 | 179.8 | 0 | 0 | 0 | 113.2 | I905 Y1003 E1007 V1013 K1014 L1017 | I905-L1009 HydrophobicContact CD1-CD1 3.68Å; I905-L1009 HydrophobicContact CD1-CD2 4.16Å; Y1003-L1009 VanDerWaalsContact CB-CD2 3.41Å; Y1003-L1009 HydrophobicContact CD2-CD2 4.31Å; Y1003-L1009 HydrophobicContact CG-CD2 3.89Å; E1007-L1009 VanDerWaalsContact C-N 3.35Å; E1007-L1009 PolarHBondContact O-N 2.8Å; L1009-V1013 HydrophobicContact CB-CB 4.33Å; L1009-V1013 HydrophobicContact CB-CG1 4.25Å; L1009-V1013 HydrophobicContact CD1-CG1 4.31Å; L1009-V1013 HydrophobicContact CD2-CG1 4.29Å; L1009-K1014 HydrophobicContact CB-CD 4.37Å; L1009-K1014 HydrophobicContact CB-CG 3.69Å; L1009-K1014 WeakPolarHBondContact O-CD 3.4Å; L1009-K1014 WeakPolarHBondContact O-CE 3.46Å; L1009-K1014 WeakPolarHBondContact O-CG 3.27Å; L1009-K1014 PolarHBondContact O-NZ 3.37Å; L1009-L1017 HydrophobicContact CD1-CD2 3.82Å | ||
| 1010 | P | 72.3 | Confident | 74.3 | Confident | 51 Ų | 51 | 71.9 Ų | 71.9 | 33% | 0.331 | 36% | 0.358 | S | S | . | . | trans | -58.7 | 155.1 | 177.1 | -27.6 | 35.2 | 0 | 0 | 0 | 113.3 | Y1003 R1012 V1013 K1014 | Y1003-P1010 HydrophobicContact CE1-CG 4.3Å; P1010-R1012 HydrophobicContact CB-CG 4.2Å; P1010-R1012 PolarHBondContact O-N 3.3Å; P1010-R1012 VanDerWaalsContact O-N 3.07Å; P1010-V1013 HydrophobicContact CB-CG2 4.25Å; P1010-V1013 HydrophobicContact CG-CG2 4.31Å; P1010-V1013 WeakPolarHBondContact O-CA 3.36Å; P1010-V1013 WeakPolarHBondContact O-CB 3.28Å; P1010-V1013 PolarHBondContact O-N 2.66Å; P1010-K1014 PolarHBondContact O-N 3.04Å | ||
| 1011 | K | 66.9 | Low | 73.2 | Confident | 193 Ų | 193 | 69.6 Ų | 69.6 | 84% | 0.839 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -56 | -29.7 | 179.5 | -68.7 | -176.7 | 179.1 | 178.6 | 0 | 113.8 | V1013 S1015 | K1011-V1013 VanDerWaalsContact C-N 3.31Å; K1011-S1015 PolarHBondContact O-N 3.09Å; K1011-S1015 PolarHBondContact O-OG 2.66Å |
| 1012 | R | 69.2 | Low | 71.9 | Confident | 142 Ų | 142 | 71 Ų | 71 | 54% | 0.536 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -68.6 | -26.4 | 174.2 | 76.2 | -179.2 | -173.5 | 168.8 | 6.8 | 113.8 | D1001 Y1003 P1010 | D1001-R1012 IonicContact OD1-NH2 3.51Å; Y1003-R1012 PolarHBondContact OH-NH2 3.41Å; P1010-R1012 HydrophobicContact CB-CG 4.2Å; P1010-R1012 PolarHBondContact O-N 3.3Å; P1010-R1012 VanDerWaalsContact O-N 3.07Å |
| 1013 | V | 76.7 | Confident | 70.5 | Confident | 0 Ų | 0 | 71.2 Ų | 71.2 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -90.4 | -50.5 | -179.8 | -177.6 | 0 | 0 | 0 | 0 | 108.9 | I905 F913 Y1003 L1009 P1010 K1011 S1015 R1016 L1017 | I905-V1013 HydrophobicContact CG2-CG1 4.23Å; F913-V1013 HydrophobicContact CB-CG1 4.14Å; F913-V1013 HydrophobicContact CD1-CG1 3.87Å; F913-V1013 HydrophobicContact CD1-CG2 4.4Å; F913-V1013 HydrophobicContact CD2-CG1 4.2Å; F913-V1013 HydrophobicContact CE1-CG1 4.32Å; F913-V1013 HydrophobicContact CE1-CG2 4.01Å; F913-V1013 HydrophobicContact CE2-CG2 4.22Å; F913-V1013 HydrophobicContact CG-CG1 3.81Å; F913-V1013 HydrophobicContact CZ-CG2 3.92Å; Y1003-V1013 HydrophobicContact CD2-CG1 4.34Å; Y1003-V1013 HydrophobicContact CD2-CG2 4.31Å; Y1003-V1013 HydrophobicContact CE2-CG1 4.47Å; Y1003-V1013 HydrophobicContact CE2-CG2 3.71Å; L1009-V1013 HydrophobicContact CB-CB 4.33Å; L1009-V1013 HydrophobicContact CB-CG1 4.25Å; L1009-V1013 HydrophobicContact CD1-CG1 4.31Å; L1009-V1013 HydrophobicContact CD2-CG1 4.29Å; P1010-V1013 HydrophobicContact CB-CG2 4.25Å; P1010-V1013 HydrophobicContact CG-CG2 4.31Å; P1010-V1013 WeakPolarHBondContact O-CA 3.36Å; P1010-V1013 WeakPolarHBondContact O-CB 3.28Å; P1010-V1013 PolarHBondContact O-N 2.66Å; K1011-V1013 VanDerWaalsContact C-N 3.31Å; V1013-S1015 PolarHBondContact O-N 2.66Å; V1013-S1015 VanDerWaalsContact O-N 3.08Å; V1013-R1016 CarbonylContact O-C 3.56Å; V1013-R1016 PolarHBondContact O-N 3.19Å; V1013-L1017 WeakPolarHBondContact O-CB 3.31Å; V1013-L1017 PolarHBondContact O-N 2.89Å |
| 1014 | K | 76.6 | Confident | 68.7 | Low | 109 Ų | 109 | 78.5 Ų | 78.5 | 47% | 0.474 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -53.7 | -31.3 | 177.6 | -73.2 | 179.6 | 167.5 | 130 | 0 | 113.8 | E1008 L1009 P1010 | E1008-K1014 IonicContact OE1-NZ 3.34Å; L1009-K1014 HydrophobicContact CB-CD 4.37Å; L1009-K1014 HydrophobicContact CB-CG 3.69Å; L1009-K1014 WeakPolarHBondContact O-CD 3.4Å; L1009-K1014 WeakPolarHBondContact O-CE 3.46Å; L1009-K1014 WeakPolarHBondContact O-CG 3.27Å; L1009-K1014 PolarHBondContact O-NZ 3.37Å; P1010-K1014 PolarHBondContact O-N 3.04Å |
| 1015 | S | 70.5 | Confident | 66.9 | Low | 94 Ų | 94 | 86.9 Ų | 86.9 | 66% | 0.657 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -7.4 | 177.5 | 62.3 | 0 | 0 | 0 | 0 | 115.4 | K1011 V1013 | K1011-S1015 PolarHBondContact O-N 3.09Å; K1011-S1015 PolarHBondContact O-OG 2.66Å; V1013-S1015 PolarHBondContact O-N 2.66Å; V1013-S1015 VanDerWaalsContact O-N 3.08Å |
| 1016 | R | 76.7 | Confident | 65.3 | Low | 134 Ų | 134 | 87.5 Ų | 87.5 | 51% | 0.506 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -128.2 | -0.8 | -177.1 | -66.6 | 176.3 | 72.6 | 135 | 2.2 | 113.5 | G911 F913 V1013 S1018 | G911-R1016 PolarHBondContact O-NE 3.49Å; G911-R1016 PolarHBondContact O-NH2 3.13Å; F913-R1016 HydrophobicContact CD2-CB 3.9Å; F913-R1016 HydrophobicContact CE2-CB 4.43Å; F913-R1016 PolarHBondContact N-O 3.17Å; V1013-R1016 CarbonylContact O-C 3.56Å; V1013-R1016 PolarHBondContact O-N 3.19Å; R1016-S1018 PolarHBondContact O-OG 3.07Å |
| 1017 | L | 80.4 | Confident | 63.8 | Low | 71 Ų | 71 | 90.3 Ų | 90.3 | 37% | 0.372 | 44% | 0.436 | S | S | . | . | B | Isolated β-bridge | trans | -64.7 | 132.5 | 170.8 | -174.7 | 64.4 | 0 | 0 | 0 | 109.5 | I905 F913 L1009 V1013 | I905-L1017 HydrophobicContact CD1-CD1 3.96Å; I905-L1017 HydrophobicContact CD1-CD2 4.21Å; I905-L1017 HydrophobicContact CG1-CD1 4.22Å; I905-L1017 HydrophobicContact CG2-CD1 3.74Å; F913-L1017 HydrophobicContact CB-CD1 4.16Å; F913-L1017 CarbonylContact O-C 3.55Å; F913-L1017 WeakPolarHBondContact O-CA 3.32Å; L1009-L1017 HydrophobicContact CD1-CD2 3.82Å; V1013-L1017 WeakPolarHBondContact O-CB 3.31Å; V1013-L1017 PolarHBondContact O-N 2.89Å |
| 1018 | S | 78.4 | Confident | 62.1 | Low | 10 Ų | 10 | 96.1 Ų | 96.1 | 7% | 0.07 | 47% | 0.467 | C | S | . | . | trans | -127 | 150.7 | -179 | -49.8 | 0 | 0 | 0 | 0 | 109.1 | R912 F913 R1016 | R912-S1018 VanDerWaalsContact CZ-OG 3.3Å; R912-S1018 PolarHBondContact NE-OG 2.92Å; R912-S1018 PolarHBondContact NH2-OG 2.88Å; F913-S1018 PolarHBondContact O-N 3.11Å; R1016-S1018 PolarHBondContact O-OG 3.07Å | ||
| 1019 | V | 70 | Confident | 60.5 | Low | 99 Ų | 99 | 98.3 Ų | 98.3 | 60% | 0.6 | 47% | 0.474 | S | S | * | . | trans | -80.6 | 143.8 | -172.6 | -173.4 | 0 | 0 | 0 | 0 | 109.3 | S1021 D1022 | V1019-S1021 WeakPolarHBondContact CG1-OG 3.27Å; V1019-S1021 PolarHBondContact O-N 2.92Å; V1019-S1021 VanDerWaalsContact O-N 3.09Å; V1019-D1022 VanDerWaalsContact O-CB 3.31Å; V1019-D1022 WeakPolarHBondContact O-CB 3.45Å; V1019-D1022 PolarHBondContact O-N 2.93Å | ||
| 1020 | A | 53.7 | Low | 58.7 | Low | 15 Ų | 15 | 103.4 Ų | 103.4 | 12% | 0.124 | 51% | 0.506 | C | S | . | . | G | 310 helix | trans | -56.3 | -28.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114 | E990 D1022 M1023 | E990-A1020 HydrophobicContact CG-CB 4.29Å; A1020-D1022 PolarHBondContact O-N 2.92Å; A1020-D1022 VanDerWaalsContact O-N 3.16Å; A1020-M1023 WeakPolarHBondContact O-CB 3.28Å; A1020-M1023 PolarHBondContact O-N 3.21Å |
| 1021 | S | 52.8 | Low | 57.4 | Low | 64 Ų | 64 | 109.5 Ų | 109.5 | 45% | 0.448 | 53% | 0.531 | S | S | . | . | G | 310 helix | trans | -55.8 | -27.6 | 171.5 | 52.9 | 0 | 0 | 0 | 0 | 114.2 | V1019 M1023 | V1019-S1021 WeakPolarHBondContact CG1-OG 3.27Å; V1019-S1021 PolarHBondContact O-N 2.92Å; V1019-S1021 VanDerWaalsContact O-N 3.09Å; S1021-M1023 PolarHBondContact O-N 3.18Å |
| 1022 | D | 53.8 | Low | 55.9 | Low | 92 Ų | 92 | 109 Ų | 109 | 49% | 0.492 | 53% | 0.528 | S | S | . | . | G | 310 helix | trans | -74.6 | -11 | 178.1 | -61.3 | -10.9 | 0 | 0 | 0 | 112.5 | V1019 A1020 | V1019-D1022 VanDerWaalsContact O-CB 3.31Å; V1019-D1022 WeakPolarHBondContact O-CB 3.45Å; V1019-D1022 PolarHBondContact O-N 2.93Å; A1020-D1022 PolarHBondContact O-N 2.92Å; A1020-D1022 VanDerWaalsContact O-N 3.16Å |
| 1023 | M | 54.6 | Low | 54.5 | Low | 5 Ų | 5 | 110.4 Ų | 110.4 | 3% | 0.025 | 54% | 0.541 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | -25.9 | 179 | -63.2 | -165 | 64.9 | 0 | 0 | 113.7 | Y914 F989 D991 A1020 S1021 F1025 | Y914-M1023 HydrophobicContact CD1-CG 3.45Å; Y914-M1023 VanDerWaalsContact CD1-CG 3.45Å; Y914-M1023 HydrophobicContact CD1-SD 3.39Å; Y914-M1023 WeakPolarHBondContact CD1-SD 3.26Å; Y914-M1023 HydrophobicContact CD2-SD 4.11Å; Y914-M1023 HydrophobicContact CE1-CG 3.45Å; Y914-M1023 VanDerWaalsContact CE1-CG 3.45Å; Y914-M1023 HydrophobicContact CE1-SD 3.9Å; Y914-M1023 HydrophobicContact CG-CG 4.18Å; Y914-M1023 HydrophobicContact CG-SD 3.48Å; F989-M1023 HydrophobicContact CB-CE 3.61Å; F989-M1023 HydrophobicContact CB-SD 4.2Å; F989-M1023 HydrophobicContact CD1-SD 4.48Å; F989-M1023 HydrophobicContact CG-CE 4.31Å; D991-M1023 HydrophobicContact CB-CE 3.94Å; D991-M1023 WeakPolarHBondContact OD1-CE 3.46Å; D991-M1023 WeakPolarHBondContact OD2-CE 3.34Å; A1020-M1023 WeakPolarHBondContact O-CB 3.28Å; A1020-M1023 PolarHBondContact O-N 3.21Å; S1021-M1023 PolarHBondContact O-N 3.18Å; M1023-F1025 PolarHBondContact O-N 3Å; M1023-F1025 VanDerWaalsContact O-N 3.09Å |
| 1024 | R | 47.2 | Very low | 52.4 | Low | 174 Ų | 174 | 115.9 Ų | 115.9 | 66% | 0.657 | 57% | 0.574 | S | S | * | * | S | Bend | trans | -73.6 | 1 | -172.7 | -61.8 | -170.4 | -175.4 | -159.6 | -1.1 | 115.2 | E990 | E990-R1024 VanDerWaalsContact CD-NH2 3.33Å; E990-R1024 IonicContact OE1-NH2 3.27Å; E990-R1024 PolarHBondContact OE1-NH2 3.28Å; E990-R1024 IonicContact OE2-CZ 3.18Å; E990-R1024 IonicContact OE2-NE 2.74Å; E990-R1024 PolarHBondContact OE2-NE 2.87Å; E990-R1024 IonicContact OE2-NH2 2.77Å; E990-R1024 PolarHBondContact OE2-NH2 3.22Å |
| 1025 | F | 46.3 | Very low | 50.2 | Low | 176 Ų | 176 | 120 Ų | 120 | 77% | 0.772 | 59% | 0.592 | S | S | * | * | trans | -114.9 | 53.4 | -177.8 | -73.9 | -79.7 | 0 | 0 | 0 | 112 | M1023 | M1023-F1025 PolarHBondContact O-N 3Å; M1023-F1025 VanDerWaalsContact O-N 3.09Å | ||
| 1026 | N | 42.3 | Very low | 48.8 | Very low | 96 Ų | 96 | 124.7 Ų | 124.7 | 51% | 0.513 | 60% | 0.604 | S | S | . | * | trans | -119.2 | -6.3 | -179.7 | -88.6 | -17.2 | 0 | 0 | 0 | 115.5 | I1028 | N1026-I1028 PolarHBondContact O-N 2.67Å; N1026-I1028 VanDerWaalsContact O-N 3.08Å | ||
| 1027 | E | 37 | Very low | 46.6 | Very low | 193 Ų | 193 | 126.4 Ų | 126.4 | 90% | 0.902 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.8 | -1.6 | 179.7 | -69.5 | -165.2 | 136.3 | 0 | 0 | 114.9 | ||
| 1028 | I | 36.9 | Very low | 44.7 | Very low | 150 Ų | 150 | 132.1 Ų | 132.1 | 77% | 0.769 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.3 | 34.1 | -177.1 | -34.8 | -179.2 | 0 | 0 | 0 | 112.3 | N1026 | N1026-I1028 PolarHBondContact O-N 2.67Å; N1026-I1028 VanDerWaalsContact O-N 3.08Å |
| 1029 | F | 34.6 | Very low | 42.6 | Very low | 177 Ų | 177 | 141.6 Ų | 141.6 | 78% | 0.776 | 68% | 0.679 | S | S | * | * | trans | -137.1 | 51.7 | 165.5 | -84.4 | -68.5 | 0 | 0 | 0 | 113.1 | ||||
| 1030 | T | 35.8 | Very low | 40.9 | Very low | 126 Ų | 126 | 148.8 Ų | 148.8 | 77% | 0.773 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -67.8 | 161 | 143.3 | 40 | 0 | 0 | 0 | 0 | 110 | K1032 | T1030-K1032 PolarHBondContact O-N 2.65Š|
| 1031 | E | 46.1 | Very low | 39.8 | Very low | 180 Ų | 180 | 156.2 Ų | 156.2 | 84% | 0.841 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -67 | 109.8 | -165.4 | -56.4 | 172.2 | 152.3 | 0 | 0 | 113.8 | ||
| 1032 | K | 34.9 | Very low | 39 | Very low | 182 Ų | 182 | 164.1 Ų | 164.1 | 79% | 0.791 | 75% | 0.748 | S | S | * | * | 172.8 | 130.1 | 127.6 | -91.9 | 148.9 | -166.2 | 168.5 | 0 | 114.8 | T1030 | T1030-K1032 PolarHBondContact O-N 2.65Š| |||
| 1033 | E | 40.3 | Very low | 38.3 | Very low | 172 Ų | 172 | 166.9 Ų | 166.9 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | trans | 62.3 | -176.5 | 153.3 | -59.3 | -164.5 | 158.4 | 0 | 0 | 120.2 | ||||
| 1034 | V | 31.6 | Very low | 37.6 | Very low | 114 Ų | 114 | 170.8 Ų | 170.8 | 69% | 0.691 | 79% | 0.788 | S | S | * | * | trans | 83.6 | 85.3 | 166 | -164.8 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1035 | K | 30.7 | Very low | 37 | Very low | 197 Ų | 197 | 168.3 Ų | 168.3 | 86% | 0.857 | 79% | 0.788 | S | S | * | * | trans | 66.4 | 140.9 | 131.7 | -61.9 | 175.2 | -172.8 | 172.6 | 0 | 120.9 | ||||
| 1036 | Q | 39.8 | Very low | 36.6 | Very low | 191 Ų | 191 | 164.8 Ų | 164.8 | 89% | 0.893 | 79% | 0.785 | S | S | * | * | trans | -81.3 | 132.7 | 170.8 | -55.8 | 169.2 | 1.5 | 0 | 0 | 110.7 | ||||
| 1037 | E | 32.4 | Very low | 36.5 | Very low | 170 Ų | 170 | 170.6 Ų | 170.6 | 79% | 0.794 | 80% | 0.799 | S | S | * | * | trans | -133.7 | 121.1 | 151.9 | -79.3 | -132.1 | 109.2 | 0 | 0 | 113 | ||||
| 1038 | K | 39.3 | Very low | 36.8 | Very low | 192 Ų | 192 | 168.7 Ų | 168.7 | 84% | 0.835 | 79% | 0.785 | S | S | * | * | trans | 1 | 109.9 | 162.3 | -65.3 | 155.9 | -174.5 | 161.8 | 0 | 118.3 | ||||
| 1039 | K | 35.4 | Very low | 37 | Very low | 209 Ų | 209 | 171.7 Ų | 171.7 | 91% | 0.909 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 151.9 | 158.3 | -74.5 | -178.8 | 177.8 | 173.6 | 0 | 111.4 | ||
| 1040 | R | 33.6 | Very low | 37.4 | Very low | 249 Ų | 249 | 172.5 Ų | 172.5 | 94% | 0.94 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 134.4 | -178.2 | -76.7 | 179.5 | 169.7 | 174.4 | -3.9 | 113 | ||
| 1041 | Q | 31.1 | Very low | 38 | Very low | 171 Ų | 171 | 172.7 Ų | 172.7 | 80% | 0.799 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 140.1 | 175.5 | -144.5 | 170 | 18.3 | 0 | 0 | 110.9 | ||
| 1042 | R | 35.7 | Very low | 37.8 | Very low | 230 Ų | 230 | 169.9 Ų | 169.9 | 87% | 0.868 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -92.1 | 136.4 | 169.2 | -83 | -176.7 | 170.1 | 175.8 | -3.2 | 109.6 | I1044 | R1042-I1044 PolarHBondContact O-N 3.11Š|
| 1043 | V | 38.1 | Very low | 38.7 | Very low | 151 Ų | 151 | 165.9 Ų | 165.9 | 92% | 0.915 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 122.8 | 171.1 | -177.3 | 0 | 0 | 0 | 0 | 108.8 | ||
| 1044 | I | 39.7 | Very low | 39 | Very low | 87 Ų | 87 | 162.9 Ų | 162.9 | 45% | 0.446 | 74% | 0.744 | S | S | . | * | P | Polyproline II helix | trans | -84.2 | 143.9 | 179 | -64 | 178.8 | 0 | 0 | 0 | 109.8 | R1042 Y1052 | R1042-I1044 PolarHBondContact O-N 3.11Å; I1044-Y1052 HydrophobicContact CD1-CD1 3.66Å; I1044-Y1052 HydrophobicContact CD1-CD2 4.31Å; I1044-Y1052 HydrophobicContact CD1-CE1 3.63Å; I1044-Y1052 HydrophobicContact CD1-CE2 4.3Å; I1044-Y1052 HydrophobicContact CD1-CG 4.02Å |
| 1045 | N | 34.8 | Very low | 39.5 | Very low | 122 Ų | 122 | 160.9 Ų | 160.9 | 65% | 0.652 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 137.2 | 179.8 | -165.8 | -5.9 | 0 | 0 | 0 | 110.6 | R1047 Y1048 | N1045-R1047 PolarHBondContact O-N 3.29Å; N1045-Y1048 PolarHBondContact O-N 3.36Å |
| 1046 | S | 39.5 | Very low | 40.1 | Very low | 102 Ų | 102 | 154.9 Ų | 154.9 | 71% | 0.713 | 72% | 0.72 | S | S | * | * | G | 310 helix | trans | -63.8 | -15.8 | -163.6 | 53.7 | 0 | 0 | 0 | 0 | 115.8 | Y1048 | S1046-Y1048 VanDerWaalsContact C-N 3.35Å; S1046-Y1048 PolarHBondContact O-N 3.47Å |
| 1047 | R | 40.3 | Very low | 40.1 | Very low | 217 Ų | 217 | 150.8 Ų | 150.8 | 82% | 0.819 | 70% | 0.704 | S | S | * | * | G | 310 helix | trans | -81.9 | -3.3 | -173.8 | -140.5 | -179.4 | -164.9 | 175.9 | 4.9 | 115.7 | N1045 | N1045-R1047 PolarHBondContact O-N 3.29Š|
| 1048 | Y | 41.6 | Very low | 40.6 | Very low | 154 Ų | 154 | 149.2 Ų | 149.2 | 60% | 0.604 | 69% | 0.692 | S | S | * | * | G | 310 helix | trans | -135.5 | 37.8 | -178.9 | -62.7 | -74.5 | 0 | 0 | 0 | 111.3 | N1045 S1046 | N1045-Y1048 PolarHBondContact O-N 3.36Å; S1046-Y1048 VanDerWaalsContact C-N 3.35Å; S1046-Y1048 PolarHBondContact O-N 3.47Å |
| 1049 | R | 42.3 | Very low | 40.8 | Very low | 213 Ų | 213 | 148.2 Ų | 148.2 | 80% | 0.804 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -84.6 | -19.8 | -172.6 | -157.5 | 176.7 | -172.6 | -179.2 | 2.1 | 113.7 | ||
| 1050 | E | 43.3 | Very low | 41.2 | Very low | 194 Ų | 194 | 141.6 Ų | 141.6 | 91% | 0.907 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -95.7 | -33 | -177.2 | -70.9 | 163.5 | -172.8 | 0 | 0 | 111.6 | Y1052 | E1050-Y1052 VanDerWaalsContact C-N 3.29Å; E1050-Y1052 PolarHBondContact O-N 3.48Å |
| 1051 | D | 47.8 | Very low | 41.8 | Very low | 129 Ų | 129 | 135.1 Ų | 135.1 | 69% | 0.69 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -75.3 | -10.9 | 174.8 | -53 | -54.2 | 0 | 0 | 0 | 114.2 | I1053 | D1051-I1053 PolarHBondContact O-N 3.28Š|
| 1052 | Y | 42.6 | Very low | 42.2 | Very low | 122 Ų | 122 | 133.3 Ų | 133.3 | 48% | 0.478 | 64% | 0.643 | S | S | . | * | trans | -90.5 | 84.1 | -172 | -166.7 | -97.8 | 0 | 0 | 0 | 112.8 | I1044 E1050 E1054 | I1044-Y1052 HydrophobicContact CD1-CD1 3.66Å; I1044-Y1052 HydrophobicContact CD1-CD2 4.31Å; I1044-Y1052 HydrophobicContact CD1-CE1 3.63Å; I1044-Y1052 HydrophobicContact CD1-CE2 4.3Å; I1044-Y1052 HydrophobicContact CD1-CG 4.02Å; E1050-Y1052 VanDerWaalsContact C-N 3.29Å; E1050-Y1052 PolarHBondContact O-N 3.48Å; Y1052-E1054 PolarHBondContact O-N 3.32Å | ||
| 1053 | I | 53.3 | Low | 42.3 | Very low | 97 Ų | 97 | 132.7 Ų | 132.7 | 50% | 0.497 | 65% | 0.65 | S | S | . | * | trans | -68.4 | 121.8 | 164.8 | -58.2 | 177.7 | 0 | 0 | 0 | 108.6 | D1051 L1057 | D1051-I1053 PolarHBondContact O-N 3.28Å; I1053-L1057 HydrophobicContact CG2-CB 4.36Å; I1053-L1057 HydrophobicContact CG2-CD2 4.44Å | ||
| 1054 | E | 45.8 | Very low | 42.5 | Very low | 110 Ų | 110 | 131.8 Ų | 131.8 | 51% | 0.514 | 64% | 0.636 | S | S | . | * | trans | -67 | 133.7 | -178.1 | -167.2 | 166.1 | -134.2 | 0 | 0 | 110.6 | Y1052 A1056 L1057 Y1058 | Y1052-E1054 PolarHBondContact O-N 3.32Å; E1054-A1056 PolarHBondContact O-N 3.38Å; E1054-L1057 WeakPolarHBondContact O-CB 3.42Å; E1054-L1057 PolarHBondContact O-N 2.61Å; E1054-Y1058 PolarHBondContact O-N 2.66Å | ||
| 1055 | P | 42.3 | Very low | 42.6 | Very low | 72 Ų | 72 | 134.1 Ų | 134.1 | 47% | 0.468 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -61.1 | -13.1 | -169.2 | -29 | 36.2 | 0 | 0 | 0 | 117 | R1059 | P1055-R1059 WeakPolarHBondContact O-CG 3.36Å |
| 1056 | A | 42.7 | Very low | 43 | Very low | 70 Ų | 70 | 134.8 Ų | 134.8 | 58% | 0.579 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -77 | -42.1 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | E1054 Y1058 R1059 A1060 | E1054-A1056 PolarHBondContact O-N 3.38Å; A1056-Y1058 VanDerWaalsContact C-N 3.35Å; A1056-R1059 PolarHBondContact O-N 3.47Å; A1056-A1060 PolarHBondContact O-N 3.32Å; A1056-A1060 VanDerWaalsContact O-N 3.13Å |
| 1057 | L | 41.1 | Very low | 43.3 | Very low | 105 Ų | 105 | 136.7 Ų | 136.7 | 55% | 0.55 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -67.8 | -37.2 | 177.4 | -167.4 | 69.2 | 0 | 0 | 0 | 111.1 | I1053 E1054 R1059 A1060 I1061 | I1053-L1057 HydrophobicContact CG2-CB 4.36Å; I1053-L1057 HydrophobicContact CG2-CD2 4.44Å; E1054-L1057 WeakPolarHBondContact O-CB 3.42Å; E1054-L1057 PolarHBondContact O-N 2.61Å; L1057-R1059 VanDerWaalsContact C-N 3.26Å; L1057-R1059 PolarHBondContact O-N 3.32Å; L1057-A1060 PolarHBondContact O-N 3.11Å; L1057-I1061 HydrophobicContact CG-CD1 4.12Å; L1057-I1061 WeakPolarHBondContact O-CD1 3.46Å; L1057-I1061 WeakPolarHBondContact O-CG1 3.42Å; L1057-I1061 PolarHBondContact O-N 3.24Å |
| 1058 | Y | 43.3 | Very low | 43.4 | Very low | 138 Ų | 138 | 131.7 Ų | 131.7 | 54% | 0.541 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -62.7 | -29.9 | 174.4 | -171 | -95.5 | 0 | 0 | 0 | 113.2 | E1054 A1056 M1062 | E1054-Y1058 PolarHBondContact O-N 2.66Å; A1056-Y1058 VanDerWaalsContact C-N 3.35Å; Y1058-M1062 HydrophobicContact CD1-CG 4.45Å; Y1058-M1062 HydrophobicContact CE1-CG 4.16Å; Y1058-M1062 WeakPolarHBondContact O-CG 3.1Å |
| 1059 | R | 41.8 | Very low | 43.6 | Very low | 171 Ų | 171 | 130.2 Ų | 130.2 | 65% | 0.645 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -76.2 | -43 | 173.1 | -69.6 | -178 | -165 | -170.4 | 1.7 | 112.2 | P1055 A1056 L1057 I1061 M1062 E1063 | P1055-R1059 WeakPolarHBondContact O-CG 3.36Å; A1056-R1059 PolarHBondContact O-N 3.47Å; L1057-R1059 VanDerWaalsContact C-N 3.26Å; L1057-R1059 PolarHBondContact O-N 3.32Å; R1059-I1061 PolarHBondContact O-N 3.06Å; R1059-M1062 CarbonylContact O-C 3.54Å; R1059-M1062 PolarHBondContact O-N 3.32Å; R1059-E1063 PolarHBondContact O-N 2.88Å |
| 1060 | A | 44.3 | Very low | 43.6 | Very low | 70 Ų | 70 | 124.3 Ų | 124.3 | 58% | 0.579 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.7 | 9.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | A1056 L1057 | A1056-A1060 PolarHBondContact O-N 3.32Å; A1056-A1060 VanDerWaalsContact O-N 3.13Å; L1057-A1060 PolarHBondContact O-N 3.11Å |
| 1061 | I | 46 | Very low | 43.7 | Very low | 113 Ų | 113 | 118.9 Ų | 118.9 | 58% | 0.579 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117 | -10.2 | 171.4 | -68.1 | 167.3 | 0 | 0 | 0 | 110.7 | L1057 R1059 | L1057-I1061 HydrophobicContact CG-CD1 4.12Å; L1057-I1061 WeakPolarHBondContact O-CD1 3.46Å; L1057-I1061 WeakPolarHBondContact O-CG1 3.42Å; L1057-I1061 PolarHBondContact O-N 3.24Å; R1059-I1061 PolarHBondContact O-N 3.06Å |
| 1062 | M | 40 | Very low | 43.3 | Very low | 132 Ų | 132 | 118.1 Ų | 118.1 | 65% | 0.65 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.5 | 2.1 | -176.2 | -64.7 | -71.4 | -62.1 | 0 | 0 | 112.6 | Y1058 R1059 | Y1058-M1062 HydrophobicContact CD1-CG 4.45Å; Y1058-M1062 HydrophobicContact CE1-CG 4.16Å; Y1058-M1062 WeakPolarHBondContact O-CG 3.1Å; R1059-M1062 CarbonylContact O-C 3.54Å; R1059-M1062 PolarHBondContact O-N 3.32Å |
| 1063 | E | 36.8 | Very low | 43.4 | Very low | 217 Ų | 217 | 117.7 Ų | 117.7 | 100% | 1.014 | 60% | 0.601 | S | S | * | * | trans | -113.8 | 0 | 166.9 | -71.6 | 175.3 | -172.3 | 0 | 0 | 108.3 | R1059 | R1059-E1063 PolarHBondContact O-N 2.88Š|
Retrieved 1,063 of 1,063 residues in 300.2 ms
(Link to these results)