| 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 | T | 59 | Low | 91.3 | Very high | 156 Ų | 156 | 56.7 Ų | 56.7 | 96% | 0.957 | 29% | 0.29 | S | S | * | . | 0 | 116.5 | 0 | 20.2 | 0 | 0 | 0 | 0 | 108 | |||||
| 2 | M | 71.6 | Confident | 91.9 | Very high | 44 Ų | 44 | 54.1 Ų | 54.1 | 22% | 0.217 | 28% | 0.276 | C | S | . | . | P | Polyproline II helix | trans | -77.4 | 135.2 | 175.5 | -67.9 | -166.1 | -152.3 | 0 | 0 | 111.3 | K28 K29 S84 V85 E126 | M2-K28 HydrophobicContact CE-CB 4.32Å; M2-K28 HydrophobicContact SD-CB 3.57Å; M2-K28 VanDerWaalsContact SD-CB 3.57Å; M2-K28 HydrophobicContact SD-CD 4.48Å; M2-K28 HydrophobicContact SD-CG 4.24Å; M2-K29 HydrophobicContact CE-CD 3.78Å; M2-K29 VanDerWaalsContact CE-CE 3.48Å; M2-K29 HydrophobicContact CE-CG 3.81Å; M2-K29 HydrophobicContact SD-CD 4.4Å; M2-K29 HydrophobicContact SD-CG 3.78Å; M2-S84 WeakPolarHBondContact O-CA 3.49Å; M2-S84 PolarHBondContact O-OG 3.01Å; M2-S84 VanDerWaalsContact O-OG 3.13Å; M2-V85 PolarHBondContact O-N 3.39Å; M2-E126 WeakPolarHBondContact CB-OE1 3.04Å; M2-E126 WeakPolarHBondContact CB-OE2 3.48Å; M2-E126 WeakPolarHBondContact CE-OE2 3.47Å; M2-E126 WeakPolarHBondContact CG-OE1 3.47Å; M2-E126 WeakPolarHBondContact CG-OE2 3.11Å; M2-E126 PolarHBondContact N-OE1 3.13Å |
| 3 | S | 87.1 | Confident | 92.4 | Very high | 29 Ų | 29 | 57.8 Ų | 57.8 | 20% | 0.203 | 29% | 0.29 | C | S | . | . | B | Isolated β-bridge | trans | -100.5 | 167.6 | 173.8 | 52.5 | 0 | 0 | 0 | 0 | 112 | L5 D82 | S3-L5 PolarHBondContact O-N 2.85Å; S3-D82 WeakPolarHBondContact CB-OD1 3.48Å; S3-D82 PolarHBondContact OG-OD1 2.74Å |
| 4 | I | 97.1 | Very high | 92.8 | Very high | 6 Ų | 6 | 54.4 Ų | 54.4 | 3% | 0.031 | 27% | 0.273 | C | S | . | . | P | Polyproline II helix | trans | -73.1 | 122.4 | 179.9 | -58.6 | 170 | 0 | 0 | 0 | 109 | I7 L25 L78 V79 V85 I91 | I4-I7 HydrophobicContact CD1-CD1 4.4Å; I4-I7 HydrophobicContact CG2-CD1 3.87Å; I4-I7 HydrophobicContact CG2-CG1 3.66Å; I4-L25 HydrophobicContact CD1-CD1 4.19Å; I4-L25 HydrophobicContact CG1-CD1 4.22Å; I4-L25 HydrophobicContact CG1-CD2 4.47Å; I4-L25 HydrophobicContact CG2-CD1 4.31Å; I4-L25 HydrophobicContact CG2-CD2 4.43Å; I4-L25 HydrophobicContact CG2-CG 4.12Å; I4-L78 HydrophobicContact CD1-CB 4.19Å; I4-V79 HydrophobicContact CG2-CG2 3.91Å; I4-V85 HydrophobicContact CD1-CG1 4.37Å; I4-V85 HydrophobicContact CG1-CG1 3.57Å; I4-I91 HydrophobicContact CD1-CD1 4.25Å |
| 5 | L | 97.1 | Very high | 93.1 | Very high | 92 Ų | 92 | 52.5 Ų | 52.5 | 48% | 0.482 | 27% | 0.267 | S | S | . | . | trans | -88.8 | -38 | 178.6 | -59.5 | 178.7 | 0 | 0 | 0 | 112.3 | S3 Y26 K28 | S3-L5 PolarHBondContact O-N 2.85Å; L5-Y26 WeakPolarHBondContact CB-O 3.48Å; L5-Y26 PolarHBondContact N-O 2.87Å; L5-K28 HydrophobicContact CD1-CG 4.03Å | ||
| 6 | K | 98.1 | Very high | 93.3 | Very high | 111 Ų | 111 | 53.3 Ų | 53.3 | 48% | 0.483 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.6 | 145.9 | -178.4 | -178.6 | 179.6 | 179.2 | -175.9 | 0 | 109.5 | Y26 | K6-Y26 HydrophobicContact CB-CD2 3.86Å; K6-Y26 HydrophobicContact CB-CG 4.25Å; K6-Y26 HydrophobicContact CD-CD2 4.14Å; K6-Y26 HydrophobicContact CD-CE2 4.24Å; K6-Y26 HydrophobicContact CG-CD2 4.05Å; K6-Y26 HydrophobicContact CG-CE2 4.47Å; K6-Y26 PolarHBondContact O-N 3.45Å |
| 7 | I | 98.8 | Very high | 93.5 | Very high | 9 Ų | 9 | 52.8 Ų | 52.8 | 5% | 0.046 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 139.3 | 164.1 | -64.6 | 168.1 | 0 | 0 | 0 | 107 | I4 V23 D24 L25 I70 A75 L78 V115 | I4-I7 HydrophobicContact CD1-CD1 4.4Å; I4-I7 HydrophobicContact CG2-CD1 3.87Å; I4-I7 HydrophobicContact CG2-CG1 3.66Å; I7-V23 HydrophobicContact CG2-CG1 3.68Å; I7-D24 CarbonylContact C-O 3.6Å; I7-D24 WeakPolarHBondContact CA-O 3.33Å; I7-L25 HydrophobicContact CD1-CD1 4.18Å; I7-L25 HydrophobicContact CG1-CB 4.4Å; I7-L25 HydrophobicContact CG1-CD1 4.06Å; I7-L25 HydrophobicContact CG1-CG 3.99Å; I7-I70 HydrophobicContact CG2-CG2 3.75Å; I7-A75 HydrophobicContact CB-CB 3.64Å; I7-A75 HydrophobicContact CG2-CB 4.07Å; I7-L78 HydrophobicContact CD1-CB 4.22Å; I7-L78 HydrophobicContact CD1-CD1 3.91Å; I7-V115 HydrophobicContact CD1-CG1 4.03Å; I7-V115 HydrophobicContact CG2-CG2 4.35Å |
| 8 | H | 98.8 | Very high | 93.7 | Very high | 66 Ų | 66 | 51.2 Ų | 51.2 | 31% | 0.306 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 127.8 | 173.9 | 177.7 | 51.6 | 0 | 0 | 0 | 110.3 | R10 D24 N71 | H8-R10 PolarHBondContact CD2-NH2 2.97Å; H8-R10 VanDerWaalsContact CD2-NH2 3.35Å; H8-D24 PolarHBondContact N-O 3.2Å; H8-D24 PolarHBondContact O-N 2.97Å; H8-N71 WeakPolarHBondContact CA-OD1 3.37Å; H8-N71 PolarHBondContact ND1-OD1 3.32Å; H8-N71 VanDerWaalsContact ND1-OD1 3.07Å |
| 9 | A | 98.9 | Very high | 94 | Very high | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.008 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 151.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | E22 V23 V67 I70 N71 | A9-E22 CarbonylContact C-O 3.6Å; A9-E22 WeakPolarHBondContact CA-O 3.45Å; A9-V23 HydrophobicContact CB-CG2 4.17Å; A9-V67 HydrophobicContact CB-CG1 4.17Å; A9-V67 WeakPolarHBondContact O-CG1 3.45Å; A9-I70 HydrophobicContact CB-CB 3.68Å; A9-I70 HydrophobicContact CB-CD1 3.53Å; A9-I70 HydrophobicContact CB-CG1 4.23Å; A9-I70 HydrophobicContact CB-CG2 3.67Å; A9-N71 PolarHBondContact N-OD1 3.46Å; A9-N71 PolarHBondContact O-ND2 3.44Å |
| 10 | R | 98.9 | Very high | 94.2 | Very high | 63 Ų | 63 | 46.1 Ų | 46.1 | 24% | 0.238 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 166.7 | 173.6 | 67 | -175.1 | 67.2 | 81.2 | 0.8 | 110.9 | H8 I12 E22 D24 | H8-R10 PolarHBondContact CD2-NH2 2.97Å; H8-R10 VanDerWaalsContact CD2-NH2 3.35Å; R10-I12 HydrophobicContact CG-CG2 4.11Å; R10-E22 WeakPolarHBondContact CD-OE1 3.42Å; R10-E22 HydrophobicContact CG-CB 4.04Å; R10-E22 IonicContact CZ-OE1 3.74Å; R10-E22 PolarHBondContact N-O 3.03Å; R10-E22 IonicContact NE-OE1 3.58Å; R10-E22 IonicContact NH1-OE1 3.23Å; R10-E22 PolarHBondContact NH1-OE1 3.08Å; R10-E22 PolarHBondContact O-N 3.12Å; R10-D24 IonicContact CZ-OD1 3.59Å; R10-D24 IonicContact CZ-OD2 2.81Å; R10-D24 VanDerWaalsContact CZ-OD2 3.3Å; R10-D24 IonicContact NH1-OD1 3.08Å; R10-D24 PolarHBondContact NH1-OD1 3.25Å; R10-D24 IonicContact NH1-OD2 3.98Å; R10-D24 PolarHBondContact NH1-OD2 3.48Å; R10-D24 IonicContact NH2-OD1 3.66Å; R10-D24 IonicContact NH2-OD2 3.85Å; R10-D24 PolarHBondContact NH2-OD2 2.88Å |
| 11 | E | 98.7 | Very high | 94.4 | Very high | 47 Ų | 47 | 43.9 Ų | 43.9 | 22% | 0.22 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 128.5 | 171.8 | -174.9 | 176.8 | -100.9 | 0 | 0 | 109.3 | P19 T20 R57 Y58 V63 V67 | E11-P19 HydrophobicContact CG-CB 3.69Å; E11-P19 WeakPolarHBondContact OE1-CB 3.34Å; E11-T20 WeakPolarHBondContact CA-O 3.49Å; E11-R57 IonicContact OE1-CZ 2.62Å; E11-R57 IonicContact OE1-NH1 3.27Å; E11-R57 PolarHBondContact OE1-NH1 3.47Å; E11-R57 IonicContact OE1-NH2 3.49Å; E11-R57 IonicContact OE2-CZ 2.69Å; E11-R57 VanDerWaalsContact OE2-CZ 3.27Å; E11-R57 IonicContact OE2-NH1 3.98Å; E11-R57 PolarHBondContact OE2-NH1 2.84Å; E11-R57 VanDerWaalsContact OE2-NH1 3.14Å; E11-R57 IonicContact OE2-NH2 3.71Å; E11-R57 PolarHBondContact OE2-NH2 3.19Å; E11-Y58 WeakPolarHBondContact OE2-CE2 3.46Å; E11-V63 HydrophobicContact CB-CG2 4.12Å; E11-V63 HydrophobicContact CG-CG2 3.59Å; E11-V63 WeakPolarHBondContact OE1-CG2 3.42Å; E11-V63 PolarHBondContact OE1-N 3.25Å; E11-V67 HydrophobicContact CB-CG2 4.49Å |
| 12 | I | 98.8 | Very high | 96.3 | Very high | 25 Ų | 25 | 37.2 Ų | 37.2 | 13% | 0.128 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | -173.6 | 171.7 | 66.8 | 163.4 | 0 | 0 | 0 | 109.3 | R10 P19 T20 E22 A35 | R10-I12 HydrophobicContact CG-CG2 4.11Å; I12-P19 CarbonylContact O-C 3.53Å; I12-P19 VanDerWaalsContact O-CA 3.25Å; I12-P19 WeakPolarHBondContact O-CA 3.38Å; I12-T20 HydrophobicContact CD1-CG2 4.23Å; I12-T20 HydrophobicContact CG1-CG2 3.72Å; I12-T20 PolarHBondContact N-O 3.13Å; I12-T20 PolarHBondContact O-N 3.36Å; I12-E22 HydrophobicContact CD1-CB 3.97Å; I12-E22 HydrophobicContact CG1-CB 4.02Å; I12-E22 HydrophobicContact CG2-CB 3.82Å; I12-A35 HydrophobicContact CD1-CB 3.76Å |
| 13 | F | 98.6 | Very high | 97.6 | Very high | 103 Ų | 103 | 35.1 Ų | 35.1 | 45% | 0.452 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 139.7 | 177.1 | -66.9 | -84.7 | 0 | 0 | 0 | 112 | G17 N18 P19 Y58 | F13-G17 WeakPolarHBondContact CD1-O 3.37Å; F13-N18 CarbonylContact C-O 3.57Å; F13-N18 WeakPolarHBondContact CA-O 3.07Å; F13-P19 HydrophobicContact CE1-CG 4.46Å; F13-Y58 HydrophobicContact CE1-CD1 4.15Å; F13-Y58 AromaticContact CE1-CE1 3.63Å; F13-Y58 HydrophobicContact CE1-CE1 3.63Å; F13-Y58 AromaticContact CZ-CE1 3.67Å; F13-Y58 HydrophobicContact CZ-CE1 3.67Å; F13-Y58 AromaticContact CZ-CZ 3.81Å |
| 14 | D | 98.4 | Very high | 98.2 | Very high | 9 Ų | 9 | 33.8 Ų | 33.8 | 5% | 0.048 | 17% | 0.169 | C | C | . | . | trans | -77.6 | 176.9 | 169.2 | 79.3 | 3.1 | 0 | 0 | 0 | 111.8 | R16 G17 N18 T20 G375 E376 | D14-R16 PolarHBondContact O-N 3.23Å; D14-R16 WeakPolarHBondContact OD1-CA 3.43Å; D14-R16 WeakPolarHBondContact OD1-CB 3.33Å; D14-R16 PolarHBondContact OD1-N 2.71Å; D14-R16 IonicContact OD2-NE 3.55Å; D14-R16 IonicContact OD2-NH2 3.67Å; D14-G17 PolarHBondContact O-N 2.78Å; D14-G17 PolarHBondContact OD1-N 3.48Å; D14-N18 PolarHBondContact N-O 2.84Å; D14-N18 PolarHBondContact OD1-N 2.96Å; D14-T20 HydrophobicContact CB-CG2 4.33Å; D14-G375 WeakPolarHBondContact OD2-CA 3.37Å; D14-E376 CarbonylContact C-O 3.59Å; D14-E376 WeakPolarHBondContact CA-O 3.43Å | ||
| 15 | S | 97.1 | Very high | 98.3 | Very high | 26 Ų | 26 | 33.5 Ų | 33.5 | 18% | 0.182 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -12.4 | -178.7 | 64.7 | 0 | 0 | 0 | 0 | 114.8 | S374 E376 R401 E403 | S15-S374 PolarHBondContact OG-O 3.35Å; S15-E376 WeakPolarHBondContact CB-O 3.48Å; S15-E376 PolarHBondContact N-O 3.09Å; S15-E376 PolarHBondContact OG-N 3.01Å; S15-E376 VanDerWaalsContact OG-N 3.07Å; S15-E376 PolarHBondContact OG-O 3.17Å; S15-R401 PolarHBondContact O-NH2 2.83Å; S15-E403 VanDerWaalsContact CB-CG 3.48Å |
| 16 | R | 95.4 | Very high | 98.4 | Very high | 66 Ų | 66 | 32.3 Ų | 32.3 | 25% | 0.249 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.5 | 2.1 | 177.3 | -59.5 | 178.2 | -61.1 | 175.6 | -4.8 | 111.9 | D14 N18 G39 D210 | D14-R16 PolarHBondContact O-N 3.23Å; D14-R16 WeakPolarHBondContact OD1-CA 3.43Å; D14-R16 WeakPolarHBondContact OD1-CB 3.33Å; D14-R16 PolarHBondContact OD1-N 2.71Å; D14-R16 IonicContact OD2-NE 3.55Å; D14-R16 IonicContact OD2-NH2 3.67Å; R16-N18 VanDerWaalsContact C-N 3.34Å; R16-G39 PolarHBondContact NH1-O 3.24Å; R16-G39 PolarHBondContact NH2-O 2.94Å; R16-D210 WeakPolarHBondContact CD-OD2 3.36Å |
| 17 | G | 97.1 | Very high | 98.4 | Very high | 45 Ų | 45 | 27.3 Ų | 27.3 | 46% | 0.464 | 14% | 0.136 | S | C | . | . | S | Bend | trans | 76.3 | 17.8 | -178 | 0 | 0 | 0 | 0 | 0 | 114 | F13 D14 | F13-G17 WeakPolarHBondContact CD1-O 3.37Å; D14-G17 PolarHBondContact O-N 2.78Å; D14-G17 PolarHBondContact OD1-N 3.48Å |
| 18 | N | 97.9 | Very high | 98.3 | Very high | 23 Ų | 23 | 35 Ų | 35 | 12% | 0.123 | 17% | 0.169 | C | C | . | . | trans | -89.6 | 149 | 170.6 | -54.9 | -69.3 | 0 | 0 | 0 | 110.1 | F13 D14 R16 K61 | F13-N18 CarbonylContact C-O 3.57Å; F13-N18 WeakPolarHBondContact CA-O 3.07Å; D14-N18 PolarHBondContact N-O 2.84Å; D14-N18 PolarHBondContact OD1-N 2.96Å; R16-N18 VanDerWaalsContact C-N 3.34Å; N18-K61 HydrophobicContact CB-CD 4.29Å; N18-K61 WeakPolarHBondContact OD1-CD 3.47Å; N18-K61 PolarHBondContact OD1-NZ 3.29Å | ||
| 19 | P | 98.4 | Very high | 98.2 | Very high | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.006 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.2 | 146.6 | 173 | -26.1 | 35.5 | 0 | 0 | 0 | 113.2 | E11 I12 F13 R51 Y58 V63 | E11-P19 HydrophobicContact CG-CB 3.69Å; E11-P19 WeakPolarHBondContact OE1-CB 3.34Å; I12-P19 CarbonylContact O-C 3.53Å; I12-P19 VanDerWaalsContact O-CA 3.25Å; I12-P19 WeakPolarHBondContact O-CA 3.38Å; F13-P19 HydrophobicContact CE1-CG 4.46Å; P19-R51 PolarHBondContact O-NH1 3.11Å; P19-Y58 HydrophobicContact CG-CD1 4.01Å; P19-Y58 HydrophobicContact CG-CD2 3.36Å; P19-Y58 HydrophobicContact CG-CE2 3.95Å; P19-Y58 HydrophobicContact CG-CG 3.41Å; P19-Y58 VanDerWaalsContact CG-CG 3.41Å; P19-V63 HydrophobicContact CB-CG2 4.21Å |
| 20 | T | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 168.6 | 168.3 | -165.8 | 0 | 0 | 0 | 0 | 111.6 | E11 I12 D14 V36 T377 | E11-T20 WeakPolarHBondContact CA-O 3.49Å; I12-T20 HydrophobicContact CD1-CG2 4.23Å; I12-T20 HydrophobicContact CG1-CG2 3.72Å; I12-T20 PolarHBondContact N-O 3.13Å; I12-T20 PolarHBondContact O-N 3.36Å; D14-T20 HydrophobicContact CB-CG2 4.33Å; T20-V36 WeakPolarHBondContact CG2-O 3.25Å; T20-V36 PolarHBondContact OG1-O 3.03Å; T20-T377 HydrophobicContact CG2-CG2 3.89Å |
| 21 | V | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 131.6 | -175.8 | 177.5 | 0 | 0 | 0 | 0 | 110.8 | V23 A35 V36 V63 A66 V67 I70 N110 | V21-V23 HydrophobicContact CG1-CG2 3.97Å; V21-A35 WeakPolarHBondContact O-CA 3.36Å; V21-V36 PolarHBondContact O-N 3.43Å; V21-V63 HydrophobicContact CG2-CB 4.01Å; V21-V63 HydrophobicContact CG2-CG2 4Å; V21-A66 HydrophobicContact CG2-CB 3.89Å; V21-V67 HydrophobicContact CG2-CG2 4.35Å; V21-I70 HydrophobicContact CG1-CD1 3.53Å; V21-N110 HydrophobicContact CG2-CB 4.27Å |
| 22 | E | 98.9 | Very high | 98.1 | Very high | 16 Ų | 16 | 38.5 Ų | 38.5 | 8% | 0.075 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 140.3 | 164.8 | -176.7 | -176.3 | 81.7 | 0 | 0 | 110 | A9 R10 I12 R33 A34 A35 | A9-E22 CarbonylContact C-O 3.6Å; A9-E22 WeakPolarHBondContact CA-O 3.45Å; R10-E22 WeakPolarHBondContact CD-OE1 3.42Å; R10-E22 HydrophobicContact CG-CB 4.04Å; R10-E22 IonicContact CZ-OE1 3.74Å; R10-E22 PolarHBondContact N-O 3.03Å; R10-E22 IonicContact NE-OE1 3.58Å; R10-E22 IonicContact NH1-OE1 3.23Å; R10-E22 PolarHBondContact NH1-OE1 3.08Å; R10-E22 PolarHBondContact O-N 3.12Å; I12-E22 HydrophobicContact CD1-CB 3.97Å; I12-E22 HydrophobicContact CG1-CB 4.02Å; I12-E22 HydrophobicContact CG2-CB 3.82Å; E22-R33 VanDerWaalsContact CD-CD 3.47Å; E22-R33 HydrophobicContact CG-CG 3.81Å; E22-R33 IonicContact OE1-NE 2.82Å; E22-R33 VanDerWaalsContact OE2-CD 3.29Å; E22-R33 WeakPolarHBondContact OE2-CD 3.44Å; E22-R33 IonicContact OE2-NE 2.89Å; E22-A34 CarbonylContact C-O 3.55Å; E22-A34 WeakPolarHBondContact CA-O 2.85Å; E22-A35 HydrophobicContact CB-CB 4.38Å; E22-A35 HydrophobicContact CG-CB 4.39Å |
| 23 | V | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 128.1 | -178.8 | -177 | 0 | 0 | 0 | 0 | 110.6 | I7 A9 V21 R33 A34 I70 V115 A118 | I7-V23 HydrophobicContact CG2-CG1 3.68Å; A9-V23 HydrophobicContact CB-CG2 4.17Å; V21-V23 HydrophobicContact CG1-CG2 3.97Å; V23-R33 CarbonylContact O-C 3.57Å; V23-R33 VanDerWaalsContact O-CA 3.29Å; V23-R33 WeakPolarHBondContact O-CA 3.42Å; V23-A34 PolarHBondContact N-O 3.23Å; V23-A34 PolarHBondContact O-N 3.29Å; V23-I70 HydrophobicContact CG2-CD1 3.7Å; V23-V115 HydrophobicContact CG1-CG2 4.12Å; V23-V115 HydrophobicContact CG2-CG2 4.34Å; V23-A118 HydrophobicContact CB-CB 4.46Å; V23-A118 HydrophobicContact CG1-CB 4.22Å |
| 24 | D | 98.9 | Very high | 98.1 | Very high | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 124.3 | 165 | -71 | 0.2 | 0 | 0 | 0 | 109.8 | I7 H8 R10 Y26 L31 F32 R33 | I7-D24 CarbonylContact C-O 3.6Å; I7-D24 WeakPolarHBondContact CA-O 3.33Å; H8-D24 PolarHBondContact N-O 3.2Å; H8-D24 PolarHBondContact O-N 2.97Å; R10-D24 IonicContact CZ-OD1 3.59Å; R10-D24 IonicContact CZ-OD2 2.81Å; R10-D24 VanDerWaalsContact CZ-OD2 3.3Å; R10-D24 IonicContact NH1-OD1 3.08Å; R10-D24 PolarHBondContact NH1-OD1 3.25Å; R10-D24 IonicContact NH1-OD2 3.98Å; R10-D24 PolarHBondContact NH1-OD2 3.48Å; R10-D24 IonicContact NH2-OD1 3.66Å; R10-D24 IonicContact NH2-OD2 3.85Å; R10-D24 PolarHBondContact NH2-OD2 2.88Å; D24-Y26 HydrophobicContact CB-CD2 4.5Å; D24-Y26 HydrophobicContact CB-CE2 3.7Å; D24-L31 HydrophobicContact CB-CD1 4.44Å; D24-L31 HydrophobicContact CB-CD2 4.28Å; D24-L31 HydrophobicContact CB-CG 4.2Å; D24-F32 WeakPolarHBondContact CA-O 3.44Å; D24-R33 WeakPolarHBondContact OD1-CG 3.43Å; D24-R33 IonicContact OD1-CZ 3.36Å; D24-R33 IonicContact OD1-NE 2.78Å; D24-R33 PolarHBondContact OD1-NE 3.05Å; D24-R33 IonicContact OD1-NH2 3.41Å; D24-R33 PolarHBondContact OD1-NH2 3.09Å; D24-R33 IonicContact OD2-CZ 2.84Å; D24-R33 IonicContact OD2-NE 2.86Å; D24-R33 IonicContact OD2-NH2 2.63Å; D24-R33 PolarHBondContact OD2-NH2 3.41Å |
| 25 | L | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 132.6 | 170.6 | -172.6 | 153.5 | 0 | 0 | 0 | 109.5 | I4 I7 T27 L31 F32 V85 A118 V119 A122 | I4-L25 HydrophobicContact CD1-CD1 4.19Å; I4-L25 HydrophobicContact CG1-CD1 4.22Å; I4-L25 HydrophobicContact CG1-CD2 4.47Å; I4-L25 HydrophobicContact CG2-CD1 4.31Å; I4-L25 HydrophobicContact CG2-CD2 4.43Å; I4-L25 HydrophobicContact CG2-CG 4.12Å; I7-L25 HydrophobicContact CD1-CD1 4.18Å; I7-L25 HydrophobicContact CG1-CB 4.4Å; I7-L25 HydrophobicContact CG1-CD1 4.06Å; I7-L25 HydrophobicContact CG1-CG 3.99Å; L25-T27 HydrophobicContact CD2-CG2 3.55Å; L25-L31 CarbonylContact O-C 3.49Å; L25-L31 WeakPolarHBondContact O-CA 3.41Å; L25-F32 HydrophobicContact CD2-CD2 4.36Å; L25-F32 PolarHBondContact N-O 3.18Å; L25-F32 PolarHBondContact O-N 2.9Å; L25-V85 HydrophobicContact CD2-CG1 4.18Å; L25-A118 HydrophobicContact CB-CB 3.87Å; L25-V119 HydrophobicContact CD1-CB 4.34Å; L25-V119 HydrophobicContact CD1-CG2 3.42Å; L25-V119 VanDerWaalsContact CD1-CG2 3.42Å; L25-A122 HydrophobicContact CD2-CB 3.75Å |
| 26 | Y | 98.6 | Very high | 98.2 | Very high | 66 Ų | 66 | 36.3 Ų | 36.3 | 26% | 0.259 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 131.3 | -179 | -61.1 | -101.1 | 0 | 0 | 0 | 110.7 | L5 K6 D24 G30 L31 | L5-Y26 WeakPolarHBondContact CB-O 3.48Å; L5-Y26 PolarHBondContact N-O 2.87Å; K6-Y26 HydrophobicContact CB-CD2 3.86Å; K6-Y26 HydrophobicContact CB-CG 4.25Å; K6-Y26 HydrophobicContact CD-CD2 4.14Å; K6-Y26 HydrophobicContact CD-CE2 4.24Å; K6-Y26 HydrophobicContact CG-CD2 4.05Å; K6-Y26 HydrophobicContact CG-CE2 4.47Å; K6-Y26 PolarHBondContact O-N 3.45Å; D24-Y26 HydrophobicContact CB-CD2 4.5Å; D24-Y26 HydrophobicContact CB-CE2 3.7Å; Y26-G30 WeakPolarHBondContact CA-O 3.17Å; Y26-L31 HydrophobicContact CD1-CB 4.12Å; Y26-L31 HydrophobicContact CD1-CG 4.33Å; Y26-L31 HydrophobicContact CE1-CB 3.96Å; Y26-L31 HydrophobicContact CE1-CD1 3.57Å; Y26-L31 HydrophobicContact CE1-CG 3.83Å; Y26-L31 WeakPolarHBondContact OH-CD1 3.38Å |
| 27 | T | 98.1 | Very high | 98.3 | Very high | 7 Ų | 7 | 33.7 Ų | 33.7 | 4% | 0.043 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | -177.9 | 166.3 | 81 | 0 | 0 | 0 | 0 | 109 | L25 K29 G30 F32 V85 A122 | L25-T27 HydrophobicContact CD2-CG2 3.55Å; T27-K29 PolarHBondContact O-N 3.37Å; T27-K29 WeakPolarHBondContact OG1-CB 3.38Å; T27-K29 PolarHBondContact OG1-N 2.86Å; T27-G30 PolarHBondContact N-O 3.27Å; T27-G30 PolarHBondContact O-N 2.93Å; T27-G30 VanDerWaalsContact O-N 3.14Å; T27-F32 HydrophobicContact CG2-CD2 4.33Å; T27-F32 HydrophobicContact CG2-CE2 4.09Å; T27-F32 WeakPolarHBondContact OG1-CE2 3.42Å; T27-V85 HydrophobicContact CG2-CG1 3.92Å; T27-V85 HydrophobicContact CG2-CG2 4.43Å; T27-A122 HydrophobicContact CG2-CB 4.1Å |
| 28 | K | 96.4 | Very high | 98 | Very high | 169 Ų | 169 | 31.7 Ų | 31.7 | 74% | 0.735 | 15% | 0.151 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68 | -12.2 | 172.6 | -50.5 | 175.7 | 175.6 | 176.3 | 0 | 112.9 | M2 L5 | M2-K28 HydrophobicContact CE-CB 4.32Å; M2-K28 HydrophobicContact SD-CB 3.57Å; M2-K28 VanDerWaalsContact SD-CB 3.57Å; M2-K28 HydrophobicContact SD-CD 4.48Å; M2-K28 HydrophobicContact SD-CG 4.24Å; L5-K28 HydrophobicContact CD1-CG 4.03Å |
| 29 | K | 97.3 | Very high | 97.1 | Very high | 118 Ų | 118 | 31.1 Ų | 31.1 | 51% | 0.513 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -14.8 | 172.6 | -67.2 | -63.2 | -166.7 | 175.4 | 0 | 113.4 | M2 T27 F32 | M2-K29 HydrophobicContact CE-CD 3.78Å; M2-K29 VanDerWaalsContact CE-CE 3.48Å; M2-K29 HydrophobicContact CE-CG 3.81Å; M2-K29 HydrophobicContact SD-CD 4.4Å; M2-K29 HydrophobicContact SD-CG 3.78Å; T27-K29 PolarHBondContact O-N 3.37Å; T27-K29 WeakPolarHBondContact OG1-CB 3.38Å; T27-K29 PolarHBondContact OG1-N 2.86Å; K29-F32 HydrophobicContact CB-CE2 4.17Å; K29-F32 HydrophobicContact CB-CZ 3.77Å |
| 30 | G | 97.9 | Very high | 95.5 | Very high | 33 Ų | 33 | 33.2 Ų | 33.2 | 34% | 0.34 | 17% | 0.167 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 131.3 | -155.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y26 T27 | Y26-G30 WeakPolarHBondContact CA-O 3.17Å; T27-G30 PolarHBondContact N-O 3.27Å; T27-G30 PolarHBondContact O-N 2.93Å; T27-G30 VanDerWaalsContact O-N 3.14Å |
| 31 | L | 98.5 | Very high | 93.6 | Very high | 73 Ų | 73 | 33.6 Ų | 33.6 | 38% | 0.382 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 130.3 | -179.7 | -176.9 | 166.8 | 0 | 0 | 0 | 109.6 | D24 L25 Y26 R33 | D24-L31 HydrophobicContact CB-CD1 4.44Å; D24-L31 HydrophobicContact CB-CD2 4.28Å; D24-L31 HydrophobicContact CB-CG 4.2Å; L25-L31 CarbonylContact O-C 3.49Å; L25-L31 WeakPolarHBondContact O-CA 3.41Å; Y26-L31 HydrophobicContact CD1-CB 4.12Å; Y26-L31 HydrophobicContact CD1-CG 4.33Å; Y26-L31 HydrophobicContact CE1-CB 3.96Å; Y26-L31 HydrophobicContact CE1-CD1 3.57Å; Y26-L31 HydrophobicContact CE1-CG 3.83Å; Y26-L31 WeakPolarHBondContact OH-CD1 3.38Å; L31-R33 HydrophobicContact CD2-CB 3.92Å |
| 32 | F | 98.8 | Very high | 92.3 | Very high | 27 Ų | 27 | 37.6 Ų | 37.6 | 12% | 0.118 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 121.3 | 176.2 | -56.3 | -78 | 0 | 0 | 0 | 109.3 | D24 L25 T27 K29 K121 A122 A125 | D24-F32 WeakPolarHBondContact CA-O 3.44Å; L25-F32 HydrophobicContact CD2-CD2 4.36Å; L25-F32 PolarHBondContact N-O 3.18Å; L25-F32 PolarHBondContact O-N 2.9Å; T27-F32 HydrophobicContact CG2-CD2 4.33Å; T27-F32 HydrophobicContact CG2-CE2 4.09Å; T27-F32 WeakPolarHBondContact OG1-CE2 3.42Å; K29-F32 HydrophobicContact CB-CE2 4.17Å; K29-F32 HydrophobicContact CB-CZ 3.77Å; F32-K121 HydrophobicContact CB-CB 4.12Å; F32-K121 HydrophobicContact CD1-CB 4.29Å; F32-A122 HydrophobicContact CB-CB 4.13Å; F32-A122 HydrophobicContact CD1-CB 4.28Å; F32-A122 HydrophobicContact CD2-CB 3.37Å; F32-A122 HydrophobicContact CE2-CB 3.83Å; F32-A122 HydrophobicContact CG-CB 3.62Å; F32-A122 HydrophobicContact CZ-CB 4.46Å; F32-A125 HydrophobicContact CD1-CB 4.33Å; F32-A125 HydrophobicContact CE1-CB 3.21Å; F32-A125 HydrophobicContact CZ-CB 3.39Å |
| 33 | R | 98.9 | Very high | 91.1 | Very high | 112 Ų | 112 | 37 Ų | 37 | 42% | 0.423 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 136.2 | -172.1 | 179.8 | 171.2 | -72.1 | 167.6 | 4.6 | 111.1 | E22 V23 D24 L31 K121 | E22-R33 VanDerWaalsContact CD-CD 3.47Å; E22-R33 HydrophobicContact CG-CG 3.81Å; E22-R33 IonicContact OE1-NE 2.82Å; E22-R33 VanDerWaalsContact OE2-CD 3.29Å; E22-R33 WeakPolarHBondContact OE2-CD 3.44Å; E22-R33 IonicContact OE2-NE 2.89Å; V23-R33 CarbonylContact O-C 3.57Å; V23-R33 VanDerWaalsContact O-CA 3.29Å; V23-R33 WeakPolarHBondContact O-CA 3.42Å; D24-R33 WeakPolarHBondContact OD1-CG 3.43Å; D24-R33 IonicContact OD1-CZ 3.36Å; D24-R33 IonicContact OD1-NE 2.78Å; D24-R33 PolarHBondContact OD1-NE 3.05Å; D24-R33 IonicContact OD1-NH2 3.41Å; D24-R33 PolarHBondContact OD1-NH2 3.09Å; D24-R33 IonicContact OD2-CZ 2.84Å; D24-R33 IonicContact OD2-NE 2.86Å; D24-R33 IonicContact OD2-NH2 2.63Å; D24-R33 PolarHBondContact OD2-NH2 3.41Å; L31-R33 HydrophobicContact CD2-CB 3.92Å; R33-K121 WeakPolarHBondContact O-CD 3.39Å; R33-K121 WeakPolarHBondContact O-CE 3.27Å; R33-K121 PolarHBondContact O-NZ 2.89Å |
| 34 | A | 98.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 143.2 | 169.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | E22 V23 L117 A118 K121 D379 | E22-A34 CarbonylContact C-O 3.55Å; E22-A34 WeakPolarHBondContact CA-O 2.85Å; V23-A34 PolarHBondContact N-O 3.23Å; V23-A34 PolarHBondContact O-N 3.29Å; A34-L117 HydrophobicContact CB-CB 3.39Å; A34-L117 HydrophobicContact CB-CD1 4.29Å; A34-L117 HydrophobicContact CB-CG 4.5Å; A34-A118 HydrophobicContact CB-CB 4.13Å; A34-K121 HydrophobicContact CB-CD 4.42Å; A34-D379 WeakPolarHBondContact CA-OD2 3.48Å |
| 35 | A | 98.8 | Very high | 89.9 | Confident | 5 Ų | 5 | 46.8 Ų | 46.8 | 4% | 0.041 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 149.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | I12 V21 E22 T377 D379 | I12-A35 HydrophobicContact CD1-CB 3.76Å; V21-A35 WeakPolarHBondContact O-CA 3.36Å; E22-A35 HydrophobicContact CB-CB 4.38Å; E22-A35 HydrophobicContact CG-CB 4.39Å; A35-T377 HydrophobicContact CB-CG2 3.92Å; A35-D379 HydrophobicContact CB-CB 4.32Å; A35-D379 PolarHBondContact N-OD2 3.14Å |
| 36 | V | 98.6 | Very high | 89.5 | Confident | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.006 | 24% | 0.243 | C | C | . | . | trans | -103.2 | 131.2 | -174.1 | 176.8 | 0 | 0 | 0 | 0 | 110.8 | T20 V21 N110 L113 G114 N346 | T20-V36 WeakPolarHBondContact CG2-O 3.25Å; T20-V36 PolarHBondContact OG1-O 3.03Å; V21-V36 PolarHBondContact O-N 3.43Å; V36-N110 HydrophobicContact CG1-CB 3.95Å; V36-N110 WeakPolarHBondContact CG2-O 3.33Å; V36-L113 HydrophobicContact CG1-CD2 3.9Å; V36-L113 HydrophobicContact CG2-CB 4.29Å; V36-L113 HydrophobicContact CG2-CD2 4.34Å; V36-L113 HydrophobicContact CG2-CG 4.38Å; V36-G114 VanDerWaalsContact CG2-CA 3.47Å; V36-N346 HydrophobicContact CG1-CB 4.5Å | ||
| 37 | P | 97.3 | Very high | 89.2 | Confident | 10 Ų | 10 | 45.5 Ų | 45.5 | 7% | 0.065 | 24% | 0.236 | C | C | . | . | trans | -80.2 | 164.1 | 174.9 | 34.9 | -36.9 | 0 | 0 | 0 | 112 | N346 R373 G375 | P37-N346 HydrophobicContact CG-CB 4.35Å; P37-N346 PolarHBondContact O-ND2 2.64Å; P37-R373 HydrophobicContact CB-CB 4.09Å; P37-R373 HydrophobicContact CB-CG 3.98Å; P37-R373 HydrophobicContact CG-CG 4.08Å; P37-G375 CarbonylContact C-O 3.56Å; P37-G375 VanDerWaalsContact CA-O 3.31Å; P37-G375 WeakPolarHBondContact CA-O 3.35Å; P37-G375 WeakPolarHBondContact CB-O 3.46Å | ||
| 38 | S | 90.7 | Very high | 88.9 | Confident | 4 Ų | 4 | 48.6 Ų | 48.6 | 3% | 0.028 | 25% | 0.252 | C | S | . | . | B | Isolated β-bridge | trans | -130.2 | 145.9 | 177.3 | -175.8 | 0 | 0 | 0 | 0 | 112 | E49 R51 R373 G375 | S38-E49 PolarHBondContact OG-OE2 3.38Å; S38-R51 PolarHBondContact OG-NH2 2.93Å; S38-R373 WeakPolarHBondContact O-CB 3.48Å; S38-G375 PolarHBondContact N-O 3.04Å; S38-G375 CarbonylContact O-C 3.59Å; S38-G375 WeakPolarHBondContact O-CA 3.17Å; S38-G375 PolarHBondContact O-N 2.99Å |
| 39 | G | 78.3 | Confident | 88.8 | Confident | 10 Ų | 10 | 43 Ų | 43 | 10% | 0.103 | 23% | 0.229 | C | C | . | . | trans | -84.7 | 171.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | R16 | R16-G39 PolarHBondContact NH1-O 3.24Å; R16-G39 PolarHBondContact NH2-O 2.94Å | ||
| 40 | A | 65.3 | Low | 88.8 | Confident | 46 Ų | 46 | 38.7 Ų | 38.7 | 38% | 0.38 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -114 | -59.4 | 168.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | S374 | A40-S374 WeakPolarHBondContact CB-OG 3.14Å; A40-S374 PolarHBondContact N-OG 2.89Å |
| 41 | S | 59.7 | Low | 88.8 | Confident | 8 Ų | 8 | 38.7 Ų | 38.7 | 6% | 0.056 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -79.3 | 127 | 159.1 | 53.7 | 0 | 0 | 0 | 0 | 108.5 | R373 | S41-R373 PolarHBondContact O-NH2 3.1Š|
| 42 | T | 71.8 | Confident | 88.7 | Confident | 83 Ų | 83 | 35.7 Ų | 35.7 | 51% | 0.509 | 19% | 0.185 | S | C | . | . | trans | -129.4 | 115.7 | 177.5 | 55 | 0 | 0 | 0 | 0 | 107.9 | E46 | T42-E46 WeakPolarHBondContact CA-OE1 3.46Š| ||
| 43 | G | 72.3 | Confident | 88.6 | Confident | 5 Ų | 5 | 40.4 Ų | 40.4 | 5% | 0.052 | 21% | 0.212 | C | C | . | . | trans | -57.1 | 146.4 | 171 | 0 | 0 | 0 | 0 | 0 | 111 | Y45 E46 D320 | G43-Y45 PolarHBondContact O-N 2.94Å; G43-E46 PolarHBondContact N-OE1 3.17Å; G43-E46 WeakPolarHBondContact O-CG 3.49Å; G43-E46 PolarHBondContact O-N 3.05Å; G43-D320 WeakPolarHBondContact CA-OD1 3.46Å; G43-D320 PolarHBondContact N-OD1 2.97Å; G43-D320 VanDerWaalsContact N-OD1 3.16Å | ||
| 44 | I | 84.6 | Confident | 88.5 | Confident | 112 Ų | 112 | 38.4 Ų | 38.4 | 57% | 0.574 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -8.4 | -171.5 | 63.5 | 173.1 | 0 | 0 | 0 | 113.6 | Q299 | I44-Q299 VanDerWaalsContact N-OE1 3.13Š|
| 45 | Y | 89.3 | Confident | 88.4 | Confident | 94 Ų | 94 | 47.5 Ų | 47.5 | 37% | 0.369 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.3 | 3.7 | -176.6 | -60.1 | -72.2 | 0 | 0 | 0 | 113.7 | G43 D300 R328 | G43-Y45 PolarHBondContact O-N 2.94Å; Y45-D300 PolarHBondContact OH-OD1 2.77Å; Y45-D300 PolarHBondContact OH-OD2 3.35Å; Y45-R328 VanDerWaalsContact CD2-CZ 3.5Å; Y45-R328 VanDerWaalsContact CE2-CZ 3.47Å |
| 46 | E | 89.6 | Confident | 88.3 | Confident | 25 Ų | 25 | 53.4 Ų | 53.4 | 12% | 0.117 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -61.9 | 154 | 177.1 | -69.4 | -171.7 | -164.9 | 0 | 0 | 111.9 | T42 G43 V323 Q347 R373 | T42-E46 WeakPolarHBondContact CA-OE1 3.46Å; G43-E46 PolarHBondContact N-OE1 3.17Å; G43-E46 WeakPolarHBondContact O-CG 3.49Å; G43-E46 PolarHBondContact O-N 3.05Å; E46-V323 HydrophobicContact CG-CB 3.91Å; E46-V323 HydrophobicContact CG-CG1 3.68Å; E46-Q347 VanDerWaalsContact CD-CG 3.45Å; E46-Q347 HydrophobicContact CG-CB 4.08Å; E46-Q347 HydrophobicContact CG-CG 3.77Å; E46-Q347 PolarHBondContact OE1-NE2 3.21Å; E46-R373 IonicContact OE1-CZ 3.79Å; E46-R373 IonicContact OE1-NH1 3.3Å; E46-R373 IonicContact OE1-NH2 3.91Å; E46-R373 PolarHBondContact OE1-NH2 2.87Å; E46-R373 IonicContact OE2-CZ 3.59Å; E46-R373 IonicContact OE2-NH1 3.96Å; E46-R373 PolarHBondContact OE2-NH1 3.28Å; E46-R373 IonicContact OE2-NH2 2.93Å; E46-R373 PolarHBondContact OE2-NH2 3.06Å |
| 47 | A | 92.4 | Very high | 88.3 | Confident | 13 Ų | 13 | 57.3 Ų | 57.3 | 11% | 0.107 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -59.9 | 141.5 | 161.6 | 0 | 0 | 0 | 0 | 0 | 110 | E49 K104 A109 Q347 | A47-E49 PolarHBondContact O-N 3.44Å; A47-K104 HydrophobicContact CB-CD 4.07Å; A47-A109 HydrophobicContact CB-CB 3.62Å; A47-Q347 WeakPolarHBondContact CB-O 3.25Å; A47-Q347 PolarHBondContact N-O 2.95Å |
| 48 | L | 92.5 | Very high | 88.2 | Confident | 72 Ų | 72 | 61.4 Ų | 61.4 | 38% | 0.377 | 31% | 0.314 | S | S | . | . | P | Polyproline II helix | trans | -81.8 | 118.9 | -165.8 | -174.1 | 135 | 0 | 0 | 0 | 111.8 | L50 N103 G108 A109 | L48-L50 PolarHBondContact O-N 2.82Å; L48-N103 PolarHBondContact N-O 3.46Å; L48-G108 CarbonylContact O-C 3.56Å; L48-G108 WeakPolarHBondContact O-CA 3.35Å; L48-A109 WeakPolarHBondContact O-CB 3.47Å; L48-A109 PolarHBondContact O-N 2.93Å |
| 49 | E | 94.3 | Very high | 88.5 | Confident | 51 Ų | 51 | 69 Ų | 69 | 24% | 0.238 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -69.1 | 120.6 | 165.3 | -175.4 | 178.1 | -173.9 | 0 | 0 | 110 | S38 A47 R51 N110 | S38-E49 PolarHBondContact OG-OE2 3.38Å; A47-E49 PolarHBondContact O-N 3.44Å; E49-R51 VanDerWaalsContact CD-NE 3.28Å; E49-R51 VanDerWaalsContact CD-NH2 3.29Å; E49-R51 PolarHBondContact O-N 2.64Å; E49-R51 IonicContact OE1-CZ 3.4Å; E49-R51 IonicContact OE1-NE 3.59Å; E49-R51 PolarHBondContact OE1-NE 3.5Å; E49-R51 IonicContact OE1-NH1 3.35Å; E49-R51 IonicContact OE1-NH2 2.82Å; E49-R51 PolarHBondContact OE1-NH2 3.33Å; E49-R51 IonicContact OE2-CZ 2.79Å; E49-R51 IonicContact OE2-NE 2.77Å; E49-R51 IonicContact OE2-NH2 3.8Å; E49-R51 PolarHBondContact OE2-NH2 3.08Å; E49-N110 HydrophobicContact CG-CB 4.08Å; E49-N110 WeakPolarHBondContact CG-ND2 3.27Å |
| 50 | L | 96.6 | Very high | 89.4 | Confident | 28 Ų | 28 | 68.9 Ų | 68.9 | 15% | 0.147 | 35% | 0.35 | C | S | . | . | trans | -83.5 | 115.5 | 178.8 | -176.8 | 65.3 | 0 | 0 | 0 | 110.7 | L48 K65 A66 F107 N110 | L48-L50 PolarHBondContact O-N 2.82Å; L50-K65 HydrophobicContact CD2-CB 3.99Å; L50-K65 HydrophobicContact CG-CB 4.38Å; L50-A66 HydrophobicContact CB-CB 4.41Å; L50-A66 HydrophobicContact CD2-CB 4.49Å; L50-F107 WeakPolarHBondContact CD2-O 3.41Å; L50-N110 PolarHBondContact N-OD1 3.35Å; L50-N110 PolarHBondContact O-ND2 3.3Å | ||
| 51 | R | 97.2 | Very high | 90.9 | Very high | 33 Ų | 33 | 70.9 Ų | 70.9 | 13% | 0.125 | 35% | 0.35 | C | S | . | . | trans | -110.1 | 153.4 | 174 | -62.7 | -67.8 | -172.9 | 166.4 | -8.5 | 111.3 | P19 S38 E49 N53 K61 G62 | P19-R51 PolarHBondContact O-NH1 3.11Å; S38-R51 PolarHBondContact OG-NH2 2.93Å; E49-R51 VanDerWaalsContact CD-NE 3.28Å; E49-R51 VanDerWaalsContact CD-NH2 3.29Å; E49-R51 PolarHBondContact O-N 2.64Å; E49-R51 IonicContact OE1-CZ 3.4Å; E49-R51 IonicContact OE1-NE 3.59Å; E49-R51 PolarHBondContact OE1-NE 3.5Å; E49-R51 IonicContact OE1-NH1 3.35Å; E49-R51 IonicContact OE1-NH2 2.82Å; E49-R51 PolarHBondContact OE1-NH2 3.33Å; E49-R51 IonicContact OE2-CZ 2.79Å; E49-R51 IonicContact OE2-NE 2.77Å; E49-R51 IonicContact OE2-NH2 3.8Å; E49-R51 PolarHBondContact OE2-NH2 3.08Å; R51-N53 VanDerWaalsContact C-N 3.33Å; R51-N53 PolarHBondContact O-N 3.42Å; R51-N53 PolarHBondContact O-ND2 3.11Å; R51-K61 PolarHBondContact NH1-O 2.75Å; R51-G62 CarbonylContact C-O 3.57Å; R51-G62 WeakPolarHBondContact CA-O 3.15Å | ||
| 52 | D | 97.2 | Very high | 92.8 | Very high | 11 Ų | 11 | 70.5 Ų | 70.5 | 6% | 0.059 | 35% | 0.348 | C | S | . | . | trans | -67.9 | -34.4 | -177.7 | -68.3 | -17.5 | 0 | 0 | 0 | 112.3 | D54 R57 G62 V63 S64 K65 | D52-D54 PolarHBondContact O-N 3.47Å; D52-R57 IonicContact OD2-NH1 3.14Å; D52-G62 WeakPolarHBondContact CB-O 3.12Å; D52-G62 VanDerWaalsContact CG-O 3.25Å; D52-G62 PolarHBondContact N-O 3.05Å; D52-G62 VanDerWaalsContact OD2-CA 3.27Å; D52-G62 WeakPolarHBondContact OD2-CA 3.28Å; D52-V63 PolarHBondContact OD2-N 3.24Å; D52-S64 PolarHBondContact OD1-N 3.29Å; D52-S64 PolarHBondContact OD1-OG 2.89Å; D52-S64 VanDerWaalsContact OD1-OG 3.11Å; D52-S64 WeakPolarHBondContact OD2-CB 3.22Å; D52-S64 PolarHBondContact OD2-N 3.47Å; D52-S64 PolarHBondContact OD2-OG 3.15Å; D52-K65 PolarHBondContact O-NZ 3.35Å; D52-K65 WeakPolarHBondContact OD1-CG 3.25Å; D52-K65 PolarHBondContact OD1-N 3.24Å | ||
| 53 | N | 96.3 | Very high | 94.1 | Very high | 126 Ų | 126 | 66.6 Ų | 66.6 | 67% | 0.674 | 32% | 0.324 | S | S | * | . | trans | 59.1 | 20.4 | -174.1 | -65 | -52 | 0 | 0 | 0 | 114.5 | R51 K55 G60 | R51-N53 VanDerWaalsContact C-N 3.33Å; R51-N53 PolarHBondContact O-N 3.42Å; R51-N53 PolarHBondContact O-ND2 3.11Å; N53-K55 PolarHBondContact O-N 3.05Å; N53-G60 VanDerWaalsContact CA-O 3.28Å; N53-G60 WeakPolarHBondContact CA-O 3.45Å; N53-G60 PolarHBondContact N-O 3.34Å | ||
| 54 | D | 96.9 | Very high | 95.3 | Very high | 70 Ų | 70 | 68.9 Ų | 68.9 | 37% | 0.374 | 34% | 0.339 | S | S | . | . | trans | -82 | 103 | 170.6 | 178.8 | 0.4 | 0 | 0 | 0 | 110.6 | D52 T56 R57 G60 | D52-D54 PolarHBondContact O-N 3.47Å; D54-T56 VanDerWaalsContact CG-OG1 3.27Å; D54-T56 PolarHBondContact O-N 3.33Å; D54-T56 WeakPolarHBondContact OD1-CB 3.3Å; D54-T56 PolarHBondContact OD1-N 3.4Å; D54-T56 PolarHBondContact OD1-OG1 3.33Å; D54-T56 PolarHBondContact OD2-OG1 2.89Å; D54-R57 HydrophobicContact CB-CB 4.45Å; D54-R57 PolarHBondContact O-N 2.99Å; D54-G60 WeakPolarHBondContact O-CA 3.22Å; D54-G60 PolarHBondContact O-N 2.72Å; D54-G60 VanDerWaalsContact O-N 3.09Å | ||
| 55 | K | 96.1 | Very high | 96 | Very high | 190 Ų | 190 | 68.1 Ų | 68.1 | 83% | 0.826 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -20.3 | -178.9 | -66.3 | -173.8 | 178.8 | -178.4 | 0 | 113.6 | N53 R57 | N53-K55 PolarHBondContact O-N 3.05Å; K55-R57 VanDerWaalsContact C-N 3.31Å |
| 56 | T | 97.5 | Very high | 96.4 | Very high | 130 Ų | 130 | 63.6 Ų | 63.6 | 80% | 0.798 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -14.1 | 178.7 | 73.1 | 0 | 0 | 0 | 0 | 112.9 | D54 | D54-T56 VanDerWaalsContact CG-OG1 3.27Å; D54-T56 PolarHBondContact O-N 3.33Å; D54-T56 WeakPolarHBondContact OD1-CB 3.3Å; D54-T56 PolarHBondContact OD1-N 3.4Å; D54-T56 PolarHBondContact OD1-OG1 3.33Å; D54-T56 PolarHBondContact OD2-OG1 2.89Å |
| 57 | R | 97.6 | Very high | 96.9 | Very high | 82 Ų | 82 | 63.3 Ų | 63.3 | 31% | 0.309 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -125.3 | 118.6 | -176.7 | -170.1 | -177 | -175.7 | -93.8 | -3.8 | 111.2 | E11 D52 D54 K55 M59 G60 | E11-R57 IonicContact OE1-CZ 2.62Å; E11-R57 IonicContact OE1-NH1 3.27Å; E11-R57 PolarHBondContact OE1-NH1 3.47Å; E11-R57 IonicContact OE1-NH2 3.49Å; E11-R57 IonicContact OE2-CZ 2.69Å; E11-R57 VanDerWaalsContact OE2-CZ 3.27Å; E11-R57 IonicContact OE2-NH1 3.98Å; E11-R57 PolarHBondContact OE2-NH1 2.84Å; E11-R57 VanDerWaalsContact OE2-NH1 3.14Å; E11-R57 IonicContact OE2-NH2 3.71Å; E11-R57 PolarHBondContact OE2-NH2 3.19Å; D52-R57 IonicContact OD2-NH1 3.14Å; D54-R57 HydrophobicContact CB-CB 4.45Å; D54-R57 PolarHBondContact O-N 2.99Å; K55-R57 VanDerWaalsContact C-N 3.31Å; R57-M59 PolarHBondContact O-N 3.31Å; R57-M59 VanDerWaalsContact O-N 3.08Å; R57-G60 PolarHBondContact O-N 2.78Å |
| 58 | Y | 97.1 | Very high | 97.2 | Very high | 96 Ų | 96 | 67 Ų | 67 | 38% | 0.376 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | 48.4 | 37.9 | 179.2 | -57.1 | -64.1 | 0 | 0 | 0 | 113.7 | E11 F13 P19 G60 K61 | E11-Y58 WeakPolarHBondContact OE2-CE2 3.46Å; F13-Y58 HydrophobicContact CE1-CD1 4.15Å; F13-Y58 AromaticContact CE1-CE1 3.63Å; F13-Y58 HydrophobicContact CE1-CE1 3.63Å; F13-Y58 AromaticContact CZ-CE1 3.67Å; F13-Y58 HydrophobicContact CZ-CE1 3.67Å; F13-Y58 AromaticContact CZ-CZ 3.81Å; P19-Y58 HydrophobicContact CG-CD1 4.01Å; P19-Y58 HydrophobicContact CG-CD2 3.36Å; P19-Y58 HydrophobicContact CG-CE2 3.95Å; P19-Y58 HydrophobicContact CG-CG 3.41Å; P19-Y58 VanDerWaalsContact CG-CG 3.41Å; Y58-G60 PolarHBondContact O-N 2.89Å; Y58-K61 WeakPolarHBondContact O-CB 3.3Å; Y58-K61 PolarHBondContact O-N 2.93Å |
| 59 | M | 96.6 | Very high | 97.5 | Very high | 163 Ų | 163 | 66 Ų | 66 | 80% | 0.803 | 32% | 0.322 | S | S | * | . | G | 310 helix | trans | 57.3 | 31.3 | -179.7 | -44.8 | -56.3 | 146.3 | 0 | 0 | 113.8 | R57 | R57-M59 PolarHBondContact O-N 3.31Å; R57-M59 VanDerWaalsContact O-N 3.08Å |
| 60 | G | 96.8 | Very high | 97.7 | Very high | 8 Ų | 8 | 63.6 Ų | 63.6 | 8% | 0.082 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | 89.3 | -5.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | N53 D54 R57 Y58 | N53-G60 VanDerWaalsContact CA-O 3.28Å; N53-G60 WeakPolarHBondContact CA-O 3.45Å; N53-G60 PolarHBondContact N-O 3.34Å; D54-G60 WeakPolarHBondContact O-CA 3.22Å; D54-G60 PolarHBondContact O-N 2.72Å; D54-G60 VanDerWaalsContact O-N 3.09Å; R57-G60 PolarHBondContact O-N 2.78Å; Y58-G60 PolarHBondContact O-N 2.89Å |
| 61 | K | 97.6 | Very high | 97.8 | Very high | 89 Ų | 89 | 64.5 Ų | 64.5 | 39% | 0.387 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | 12.5 | -171.1 | -55.9 | 179.9 | -177.3 | -178.2 | 0 | 114.4 | N18 R51 Y58 | N18-K61 HydrophobicContact CB-CD 4.29Å; N18-K61 WeakPolarHBondContact OD1-CD 3.47Å; N18-K61 PolarHBondContact OD1-NZ 3.29Å; R51-K61 PolarHBondContact NH1-O 2.75Å; Y58-K61 WeakPolarHBondContact O-CB 3.3Å; Y58-K61 PolarHBondContact O-N 2.93Å |
| 62 | G | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 69.8 Ų | 69.8 | 0% | 0 | 34% | 0.339 | C | S | . | . | trans | -56.9 | 155.9 | 172 | 0 | 0 | 0 | 0 | 0 | 112.4 | R51 D52 | R51-G62 CarbonylContact C-O 3.57Å; R51-G62 WeakPolarHBondContact CA-O 3.15Å; D52-G62 WeakPolarHBondContact CB-O 3.12Å; D52-G62 VanDerWaalsContact CG-O 3.25Å; D52-G62 PolarHBondContact N-O 3.05Å; D52-G62 VanDerWaalsContact OD2-CA 3.27Å; D52-G62 WeakPolarHBondContact OD2-CA 3.28Å | ||
| 63 | V | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 35% | 0.353 | C | S | . | . | trans | -124.1 | 23.8 | 176.2 | -64.6 | 0 | 0 | 0 | 0 | 112.2 | E11 P19 V21 D52 K65 A66 V67 | E11-V63 HydrophobicContact CB-CG2 4.12Å; E11-V63 HydrophobicContact CG-CG2 3.59Å; E11-V63 WeakPolarHBondContact OE1-CG2 3.42Å; E11-V63 PolarHBondContact OE1-N 3.25Å; P19-V63 HydrophobicContact CB-CG2 4.21Å; V21-V63 HydrophobicContact CG2-CB 4.01Å; V21-V63 HydrophobicContact CG2-CG2 4Å; D52-V63 PolarHBondContact OD2-N 3.24Å; V63-K65 VanDerWaalsContact C-N 3.26Å; V63-K65 PolarHBondContact O-N 3.42Å; V63-A66 HydrophobicContact CB-CB 4.46Å; V63-A66 PolarHBondContact O-N 2.9Å; V63-V67 HydrophobicContact CG2-CG2 4.36Å; V63-V67 WeakPolarHBondContact O-CG2 3.47Å; V63-V67 PolarHBondContact O-N 3.49Å | ||
| 64 | S | 98.5 | Very high | 98 | Very high | 54 Ų | 54 | 66 Ų | 66 | 38% | 0.378 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60.5 | -34.4 | -177.8 | 64.3 | 0 | 0 | 0 | 0 | 112.7 | D52 V67 E68 | D52-S64 PolarHBondContact OD1-N 3.29Å; D52-S64 PolarHBondContact OD1-OG 2.89Å; D52-S64 VanDerWaalsContact OD1-OG 3.11Å; D52-S64 WeakPolarHBondContact OD2-CB 3.22Å; D52-S64 PolarHBondContact OD2-N 3.47Å; D52-S64 PolarHBondContact OD2-OG 3.15Å; S64-V67 PolarHBondContact O-N 3.34Å; S64-E68 WeakPolarHBondContact O-CB 3.07Å; S64-E68 PolarHBondContact O-N 2.76Å |
| 65 | K | 98.6 | Very high | 98.1 | Very high | 95 Ų | 95 | 63 Ų | 63 | 41% | 0.413 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -63.5 | -45.7 | 174.3 | -68.9 | 175.6 | -176.6 | 166.2 | 0 | 112.5 | L50 D52 V63 E68 H69 | L50-K65 HydrophobicContact CD2-CB 3.99Å; L50-K65 HydrophobicContact CG-CB 4.38Å; D52-K65 PolarHBondContact O-NZ 3.35Å; D52-K65 WeakPolarHBondContact OD1-CG 3.25Å; D52-K65 PolarHBondContact OD1-N 3.24Å; V63-K65 VanDerWaalsContact C-N 3.26Å; V63-K65 PolarHBondContact O-N 3.42Å; K65-E68 WeakPolarHBondContact O-CB 3.46Å; K65-E68 PolarHBondContact O-N 2.89Å; K65-H69 PolarHBondContact O-CD2 2.99Å; K65-H69 PolarHBondContact O-N 3.46Å |
| 66 | A | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.6 | -43.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | V21 L50 V63 E68 H69 I70 A111 | V21-A66 HydrophobicContact CG2-CB 3.89Å; L50-A66 HydrophobicContact CB-CB 4.41Å; L50-A66 HydrophobicContact CD2-CB 4.49Å; V63-A66 HydrophobicContact CB-CB 4.46Å; V63-A66 PolarHBondContact O-N 2.9Å; A66-E68 VanDerWaalsContact C-N 3.3Å; A66-E68 PolarHBondContact O-N 2.89Å; A66-H69 PolarHBondContact O-N 3.3Å; A66-I70 WeakPolarHBondContact O-CG1 3.48Å; A66-I70 PolarHBondContact O-N 3.16Å; A66-I70 VanDerWaalsContact O-N 3.1Å; A66-A111 HydrophobicContact CB-CB 4.26Å |
| 67 | V | 98.9 | Very high | 98.2 | Very high | 19 Ų | 19 | 52.2 Ų | 52.2 | 12% | 0.115 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.9 | -40.6 | 174.1 | 169.6 | 0 | 0 | 0 | 0 | 111.4 | A9 E11 V21 V63 S64 I70 N71 | A9-V67 HydrophobicContact CB-CG1 4.17Å; A9-V67 WeakPolarHBondContact O-CG1 3.45Å; E11-V67 HydrophobicContact CB-CG2 4.49Å; V21-V67 HydrophobicContact CG2-CG2 4.35Å; V63-V67 HydrophobicContact CG2-CG2 4.36Å; V63-V67 WeakPolarHBondContact O-CG2 3.47Å; V63-V67 PolarHBondContact O-N 3.49Å; S64-V67 PolarHBondContact O-N 3.34Å; V67-I70 PolarHBondContact O-N 3.46Å; V67-N71 VanDerWaalsContact CG1-ND2 3.34Å; V67-N71 WeakPolarHBondContact CG1-ND2 3.16Å; V67-N71 WeakPolarHBondContact O-CB 3.44Å; V67-N71 PolarHBondContact O-N 2.91Å; V67-N71 PolarHBondContact O-ND2 2.9Å; V67-N71 VanDerWaalsContact O-ND2 3.09Å |
| 68 | E | 98.8 | Very high | 98.2 | Very high | 90 Ų | 90 | 48.5 Ų | 48.5 | 42% | 0.421 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -65.3 | -44.4 | 176.4 | -175.4 | 172.4 | -171.5 | 0 | 0 | 112 | S64 K65 A66 I70 N71 K72 | S64-E68 WeakPolarHBondContact O-CB 3.07Å; S64-E68 PolarHBondContact O-N 2.76Å; K65-E68 WeakPolarHBondContact O-CB 3.46Å; K65-E68 PolarHBondContact O-N 2.89Å; A66-E68 VanDerWaalsContact C-N 3.3Å; A66-E68 PolarHBondContact O-N 2.89Å; E68-I70 VanDerWaalsContact C-N 3.29Å; E68-I70 PolarHBondContact O-N 3.21Å; E68-N71 PolarHBondContact O-N 2.95Å; E68-K72 HydrophobicContact CG-CD 3.65Å; E68-K72 HydrophobicContact CG-CG 4.05Å; E68-K72 WeakPolarHBondContact O-CB 3.27Å; E68-K72 PolarHBondContact O-N 2.93Å; E68-K72 WeakPolarHBondContact OE1-CD 3.42Å; E68-K72 WeakPolarHBondContact OE1-CE 3.46Å; E68-K72 IonicContact OE1-NZ 3.3Å; E68-K72 PolarHBondContact OE1-NZ 3.28Å |
| 69 | H | 98.8 | Very high | 98.1 | Very high | 52 Ų | 52 | 46.4 Ų | 46.4 | 24% | 0.241 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -57.4 | -41.8 | 174.8 | -73.3 | -50.7 | 0 | 0 | 0 | 112.2 | K65 A66 T73 I74 K106 F107 | K65-H69 PolarHBondContact O-CD2 2.99Å; K65-H69 PolarHBondContact O-N 3.46Å; A66-H69 PolarHBondContact O-N 3.3Å; H69-T73 WeakPolarHBondContact O-CA 3.44Å; H69-T73 VanDerWaalsContact O-CB 3.27Å; H69-T73 WeakPolarHBondContact O-CB 3.39Å; H69-T73 PolarHBondContact O-N 2.91Å; H69-I74 PolarHBondContact O-N 3.14Å; H69-K106 PolarHBondContact NE2-O 3.1Å; H69-F107 HydrophobicContact CB-CB 4.4Å; H69-F107 HydrophobicContact CB-CD1 4.11Å; H69-F107 AromaticContact CG-CD1 3.91Å; H69-F107 AromaticContact ND1-CD1 3.86Å |
| 70 | I | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.236 | C | C | . | . | I | π-helix | trans | -63.5 | -55.1 | 175.5 | -62.1 | 163.3 | 0 | 0 | 0 | 110.2 | I7 A9 V21 V23 A66 V67 E68 K72 I74 A75 A111 V115 | I7-I70 HydrophobicContact CG2-CG2 3.75Å; A9-I70 HydrophobicContact CB-CB 3.68Å; A9-I70 HydrophobicContact CB-CD1 3.53Å; A9-I70 HydrophobicContact CB-CG1 4.23Å; A9-I70 HydrophobicContact CB-CG2 3.67Å; V21-I70 HydrophobicContact CG1-CD1 3.53Å; V23-I70 HydrophobicContact CG2-CD1 3.7Å; A66-I70 WeakPolarHBondContact O-CG1 3.48Å; A66-I70 PolarHBondContact O-N 3.16Å; A66-I70 VanDerWaalsContact O-N 3.1Å; V67-I70 PolarHBondContact O-N 3.46Å; E68-I70 VanDerWaalsContact C-N 3.29Å; E68-I70 PolarHBondContact O-N 3.21Å; I70-K72 PolarHBondContact O-N 3.12Å; I70-I74 HydrophobicContact CG1-CD1 4.22Å; I70-I74 PolarHBondContact O-N 3.05Å; I70-A75 WeakPolarHBondContact O-CB 3.4Å; I70-A75 PolarHBondContact O-N 3.25Å; I70-A111 HydrophobicContact CD1-CB 4.13Å; I70-A111 HydrophobicContact CG1-CB 3.82Å; I70-V115 HydrophobicContact CD1-CG2 4.45Å; I70-V115 HydrophobicContact CG1-CG2 4.16Å; I70-V115 HydrophobicContact CG2-CG2 3.78Å |
| 71 | N | 98.9 | Very high | 97.9 | Very high | 47 Ų | 47 | 48.9 Ų | 48.9 | 25% | 0.251 | 26% | 0.259 | S | S | . | . | I | π-helix | trans | -67.7 | -36.9 | -171.3 | -76.2 | -45 | 0 | 0 | 0 | 113.5 | H8 A9 V67 E68 | H8-N71 WeakPolarHBondContact CA-OD1 3.37Å; H8-N71 PolarHBondContact ND1-OD1 3.32Å; H8-N71 VanDerWaalsContact ND1-OD1 3.07Å; A9-N71 PolarHBondContact N-OD1 3.46Å; A9-N71 PolarHBondContact O-ND2 3.44Å; V67-N71 VanDerWaalsContact CG1-ND2 3.34Å; V67-N71 WeakPolarHBondContact CG1-ND2 3.16Å; V67-N71 WeakPolarHBondContact O-CB 3.44Å; V67-N71 PolarHBondContact O-N 2.91Å; V67-N71 PolarHBondContact O-ND2 2.9Å; V67-N71 VanDerWaalsContact O-ND2 3.09Å; E68-N71 PolarHBondContact O-N 2.95Å |
| 72 | K | 98.7 | Very high | 97.5 | Very high | 143 Ų | 143 | 50 Ų | 50 | 62% | 0.622 | 27% | 0.269 | S | S | * | . | I | π-helix | trans | -100.4 | -20.4 | -172.8 | -62.1 | -169.2 | -175.1 | 172.2 | 0 | 114.3 | E68 I70 | E68-K72 HydrophobicContact CG-CD 3.65Å; E68-K72 HydrophobicContact CG-CG 4.05Å; E68-K72 WeakPolarHBondContact O-CB 3.27Å; E68-K72 PolarHBondContact O-N 2.93Å; E68-K72 WeakPolarHBondContact OE1-CD 3.42Å; E68-K72 WeakPolarHBondContact OE1-CE 3.46Å; E68-K72 IonicContact OE1-NZ 3.3Å; E68-K72 PolarHBondContact OE1-NZ 3.28Å; I70-K72 PolarHBondContact O-N 3.12Å |
| 73 | T | 98.6 | Very high | 97.1 | Very high | 57 Ų | 57 | 50.3 Ų | 50.3 | 35% | 0.35 | 27% | 0.271 | S | S | . | . | I | π-helix | trans | -122 | -58.7 | -174.2 | -50.8 | 0 | 0 | 0 | 0 | 112.4 | H69 A77 M98 F107 | H69-T73 WeakPolarHBondContact O-CA 3.44Å; H69-T73 VanDerWaalsContact O-CB 3.27Å; H69-T73 WeakPolarHBondContact O-CB 3.39Å; H69-T73 PolarHBondContact O-N 2.91Å; T73-A77 VanDerWaalsContact O-CB 3.31Å; T73-A77 WeakPolarHBondContact O-CB 3.26Å; T73-A77 PolarHBondContact O-N 3.28Å; T73-M98 HydrophobicContact CG2-CE 4.03Å; T73-F107 HydrophobicContact CG2-CE1 3.99Å; T73-F107 HydrophobicContact CG2-CZ 3.88Å |
| 74 | I | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 27% | 0.273 | C | S | . | . | I | π-helix | trans | -69.2 | -47 | -174.7 | -58.8 | 172.9 | 0 | 0 | 0 | 110.6 | H69 I70 A77 L78 M95 F107 A111 V115 | H69-I74 PolarHBondContact O-N 3.14Å; I70-I74 HydrophobicContact CG1-CD1 4.22Å; I70-I74 PolarHBondContact O-N 3.05Å; I74-A77 PolarHBondContact O-N 3.44Å; I74-L78 HydrophobicContact CG2-CD1 3.72Å; I74-L78 HydrophobicContact CG2-CG 4.06Å; I74-L78 WeakPolarHBondContact O-CG 3.47Å; I74-L78 PolarHBondContact O-N 2.78Å; I74-M95 HydrophobicContact CG2-CG 4.03Å; I74-M95 HydrophobicContact CG2-SD 3.87Å; I74-F107 HydrophobicContact CD1-CB 4.45Å; I74-F107 HydrophobicContact CD1-CD2 4Å; I74-F107 HydrophobicContact CD1-CG 4.32Å; I74-F107 HydrophobicContact CG1-CD2 4.16Å; I74-F107 HydrophobicContact CG1-CE2 4.21Å; I74-A111 HydrophobicContact CD1-CB 4.35Å; I74-V115 HydrophobicContact CG2-CG1 4.38Å; I74-V115 HydrophobicContact CG2-CG2 4.18Å |
| 75 | A | 98.4 | Very high | 96.9 | Very high | 7 Ų | 7 | 48 Ų | 48 | 6% | 0.058 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.5 | -52.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113 | I7 I70 A77 V79 | I7-A75 HydrophobicContact CB-CB 3.64Å; I7-A75 HydrophobicContact CG2-CB 4.07Å; I70-A75 WeakPolarHBondContact O-CB 3.4Å; I70-A75 PolarHBondContact O-N 3.25Å; A75-A77 VanDerWaalsContact C-N 3.3Å; A75-A77 PolarHBondContact O-N 2.85Å; A75-V79 WeakPolarHBondContact O-CB 3.46Å; A75-V79 VanDerWaalsContact O-CG2 3.25Å; A75-V79 WeakPolarHBondContact O-CG2 3.46Å; A75-V79 PolarHBondContact O-N 3.09Å; A75-V79 VanDerWaalsContact O-N 3.09Å |
| 76 | P | 97.9 | Very high | 96.9 | Very high | 70 Ų | 70 | 45.4 Ų | 45.4 | 46% | 0.455 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -61.6 | -38.6 | 176.9 | -23.2 | 35 | 0 | 0 | 0 | 112.6 | S80 | P76-S80 VanDerWaalsContact O-CB 3.3Å; P76-S80 WeakPolarHBondContact O-CB 3.41Å; P76-S80 PolarHBondContact O-N 3.37Å; P76-S80 PolarHBondContact O-OG 2.96Å |
| 77 | A | 97.4 | Very high | 96.8 | Very high | 24 Ų | 24 | 48.9 Ų | 48.9 | 20% | 0.198 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.8 | -52.3 | -180 | 0 | 0 | 0 | 0 | 0 | 111.6 | T73 I74 A75 V79 S80 K81 M98 | T73-A77 VanDerWaalsContact O-CB 3.31Å; T73-A77 WeakPolarHBondContact O-CB 3.26Å; T73-A77 PolarHBondContact O-N 3.28Å; I74-A77 PolarHBondContact O-N 3.44Å; A75-A77 VanDerWaalsContact C-N 3.3Å; A75-A77 PolarHBondContact O-N 2.85Å; A77-V79 PolarHBondContact O-N 3.49Å; A77-S80 PolarHBondContact O-N 3.28Å; A77-S80 PolarHBondContact O-OG 3.02Å; A77-K81 VanDerWaalsContact O-CG 3.28Å; A77-K81 WeakPolarHBondContact O-CG 3.29Å; A77-K81 PolarHBondContact O-N 3.21Å; A77-M98 HydrophobicContact CB-CE 3.47Å; A77-M98 VanDerWaalsContact CB-CE 3.47Å; A77-M98 HydrophobicContact CB-SD 3.66Å |
| 78 | L | 96.9 | Very high | 96.8 | Very high | 4 Ų | 4 | 48 Ų | 48 | 2% | 0.021 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.5 | -40 | -179.1 | -67.4 | -175.5 | 0 | 0 | 0 | 112.7 | I4 I7 I74 S80 K81 I91 L94 M95 V115 | I4-L78 HydrophobicContact CD1-CB 4.19Å; I7-L78 HydrophobicContact CD1-CB 4.22Å; I7-L78 HydrophobicContact CD1-CD1 3.91Å; I74-L78 HydrophobicContact CG2-CD1 3.72Å; I74-L78 HydrophobicContact CG2-CG 4.06Å; I74-L78 WeakPolarHBondContact O-CG 3.47Å; I74-L78 PolarHBondContact O-N 2.78Å; L78-S80 VanDerWaalsContact C-N 3.33Å; L78-S80 PolarHBondContact O-N 3.5Å; L78-K81 PolarHBondContact O-N 3.01Å; L78-I91 HydrophobicContact CD1-CG2 3.96Å; L78-I91 HydrophobicContact CD2-CG2 4.14Å; L78-L94 HydrophobicContact CD2-CB 4.2Å; L78-L94 HydrophobicContact CD2-CD1 4.35Å; L78-M95 HydrophobicContact CD1-CG 4.15Å; L78-M95 HydrophobicContact CD1-SD 4.07Å; L78-M95 HydrophobicContact CD2-CG 4.37Å; L78-V115 HydrophobicContact CD1-CG1 3.68Å |
| 79 | V | 96.7 | Very high | 96.8 | Very high | 53 Ų | 53 | 49.8 Ų | 49.8 | 32% | 0.321 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62.1 | -42.1 | 175.3 | 172.3 | 0 | 0 | 0 | 0 | 110.7 | I4 A75 A77 K81 D82 | I4-V79 HydrophobicContact CG2-CG2 3.91Å; A75-V79 WeakPolarHBondContact O-CB 3.46Å; A75-V79 VanDerWaalsContact O-CG2 3.25Å; A75-V79 WeakPolarHBondContact O-CG2 3.46Å; A75-V79 PolarHBondContact O-N 3.09Å; A75-V79 VanDerWaalsContact O-N 3.09Å; A77-V79 PolarHBondContact O-N 3.49Å; V79-K81 VanDerWaalsContact C-N 3.28Å; V79-K81 PolarHBondContact O-N 3.05Å; V79-D82 PolarHBondContact O-N 2.68Å |
| 80 | S | 95.6 | Very high | 96.8 | Very high | 91 Ų | 91 | 51.9 Ų | 51.9 | 64% | 0.636 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -68.6 | -23 | -179.4 | 74.4 | 0 | 0 | 0 | 0 | 114.6 | P76 A77 L78 D82 | P76-S80 VanDerWaalsContact O-CB 3.3Å; P76-S80 WeakPolarHBondContact O-CB 3.41Å; P76-S80 PolarHBondContact O-N 3.37Å; P76-S80 PolarHBondContact O-OG 2.96Å; A77-S80 PolarHBondContact O-N 3.28Å; A77-S80 PolarHBondContact O-OG 3.02Å; L78-S80 VanDerWaalsContact C-N 3.33Å; L78-S80 PolarHBondContact O-N 3.5Å; S80-D82 VanDerWaalsContact C-N 3.34Å |
| 81 | K | 93 | Very high | 96.7 | Very high | 131 Ų | 131 | 51.9 Ų | 51.9 | 57% | 0.57 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | -12.7 | -178.3 | -69.1 | -72.6 | -177.7 | -176.3 | 0 | 113.3 | A77 L78 V79 V83 L94 | A77-K81 VanDerWaalsContact O-CG 3.28Å; A77-K81 WeakPolarHBondContact O-CG 3.29Å; A77-K81 PolarHBondContact O-N 3.21Å; L78-K81 PolarHBondContact O-N 3.01Å; V79-K81 VanDerWaalsContact C-N 3.28Å; V79-K81 PolarHBondContact O-N 3.05Å; K81-V83 HydrophobicContact CB-CG2 3.85Å; K81-V83 PolarHBondContact O-N 3.42Å; K81-V83 VanDerWaalsContact O-N 3.11Å; K81-L94 HydrophobicContact CG-CD1 4.49Å |
| 82 | D | 88.6 | Confident | 96.7 | Very high | 113 Ų | 113 | 49.7 Ų | 49.7 | 60% | 0.604 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51 | 34.1 | 178.5 | -158.4 | 39.7 | 0 | 0 | 0 | 113.7 | S3 V79 S80 | S3-D82 WeakPolarHBondContact CB-OD1 3.48Å; S3-D82 PolarHBondContact OG-OD1 2.74Å; V79-D82 PolarHBondContact O-N 2.68Å; S80-D82 VanDerWaalsContact C-N 3.34Å |
| 83 | V | 91.3 | Very high | 96.7 | Very high | 7 Ų | 7 | 48.2 Ų | 48.2 | 4% | 0.042 | 26% | 0.256 | C | S | . | . | trans | -76.7 | 143.2 | 178.8 | -177.1 | 0 | 0 | 0 | 0 | 109.6 | K81 E87 K90 I91 L94 | K81-V83 HydrophobicContact CB-CG2 3.85Å; K81-V83 PolarHBondContact O-N 3.42Å; K81-V83 VanDerWaalsContact O-N 3.11Å; V83-E87 HydrophobicContact CG1-CB 3.99Å; V83-E87 HydrophobicContact CG1-CG 4.5Å; V83-E87 WeakPolarHBondContact CG1-OE2 3.36Å; V83-K90 HydrophobicContact CG1-CB 4.46Å; V83-K90 HydrophobicContact CG1-CD 3.75Å; V83-K90 HydrophobicContact CG1-CG 4.12Å; V83-K90 HydrophobicContact CG2-CD 4.49Å; V83-I91 HydrophobicContact CB-CG1 4.18Å; V83-I91 HydrophobicContact CG1-CD1 4.12Å; V83-I91 HydrophobicContact CG1-CG1 3.66Å; V83-L94 HydrophobicContact CG2-CD1 3.89Å | ||
| 84 | S | 95.5 | Very high | 96.7 | Very high | 5 Ų | 5 | 47.5 Ų | 47.5 | 4% | 0.035 | 25% | 0.25 | C | S | . | . | B | Isolated β-bridge | trans | -75.5 | 139.3 | 178.5 | -166.8 | 0 | 0 | 0 | 0 | 111.4 | M2 V86 E87 I91 | M2-S84 WeakPolarHBondContact O-CA 3.49Å; M2-S84 PolarHBondContact O-OG 3.01Å; M2-S84 VanDerWaalsContact O-OG 3.13Å; S84-V86 PolarHBondContact O-N 2.9Å; S84-E87 PolarHBondContact N-OE2 3.33Å; S84-E87 WeakPolarHBondContact O-CB 3.38Å; S84-E87 PolarHBondContact O-N 3.07Å; S84-I91 WeakPolarHBondContact O-CD1 3.47Å |
| 85 | V | 96.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -13.1 | 179 | -66.9 | 0 | 0 | 0 | 0 | 114.5 | M2 I4 L25 T27 E87 A122 G123 E126 | M2-V85 PolarHBondContact O-N 3.39Å; I4-V85 HydrophobicContact CD1-CG1 4.37Å; I4-V85 HydrophobicContact CG1-CG1 3.57Å; L25-V85 HydrophobicContact CD2-CG1 4.18Å; T27-V85 HydrophobicContact CG2-CG1 3.92Å; T27-V85 HydrophobicContact CG2-CG2 4.43Å; V85-E87 VanDerWaalsContact C-N 3.35Å; V85-A122 HydrophobicContact CB-CB 4.01Å; V85-A122 HydrophobicContact CG1-CB 4.06Å; V85-A122 HydrophobicContact CG2-CB 4.15Å; V85-G123 WeakPolarHBondContact O-CA 3.32Å; V85-E126 HydrophobicContact CG2-CB 3.9Å; V85-E126 HydrophobicContact CG2-CG 4.28Å |
| 86 | V | 97.4 | Very high | 96.7 | Very high | 41 Ų | 41 | 49.2 Ų | 49.2 | 25% | 0.248 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -13.5 | 172.9 | -57.8 | 0 | 0 | 0 | 0 | 113.2 | S84 Q88 E126 K127 | S84-V86 PolarHBondContact O-N 2.9Å; V86-Q88 VanDerWaalsContact C-N 3.28Å; V86-Q88 PolarHBondContact O-N 3.5Å; V86-Q88 VanDerWaalsContact O-N 3.17Å; V86-E126 HydrophobicContact CG1-CB 3.93Å; V86-E126 HydrophobicContact CG1-CG 3.72Å; V86-K127 HydrophobicContact CG1-CG 3.94Å |
| 87 | E | 97.6 | Very high | 96.8 | Very high | 72 Ų | 72 | 50.5 Ų | 50.5 | 34% | 0.336 | 26% | 0.261 | S | S | . | . | trans | -87.7 | 58.5 | 178.6 | -60.1 | 179.8 | 83.6 | 0 | 0 | 110.9 | V83 S84 V85 E89 K90 I91 | V83-E87 HydrophobicContact CG1-CB 3.99Å; V83-E87 HydrophobicContact CG1-CG 4.5Å; V83-E87 WeakPolarHBondContact CG1-OE2 3.36Å; S84-E87 PolarHBondContact N-OE2 3.33Å; S84-E87 WeakPolarHBondContact O-CB 3.38Å; S84-E87 PolarHBondContact O-N 3.07Å; V85-E87 VanDerWaalsContact C-N 3.35Å; E87-E89 VanDerWaalsContact C-N 3.35Å; E87-E89 PolarHBondContact O-N 2.93Å; E87-K90 HydrophobicContact CB-CB 3.97Å; E87-K90 HydrophobicContact CB-CD 4.3Å; E87-K90 WeakPolarHBondContact O-CB 3.45Å; E87-K90 PolarHBondContact O-N 3.44Å; E87-K90 VanDerWaalsContact O-N 3.08Å; E87-K90 WeakPolarHBondContact OE1-CD 3.38Å; E87-K90 IonicContact OE1-NZ 2.74Å; E87-K90 PolarHBondContact OE1-NZ 3.15Å; E87-K90 IonicContact OE2-NZ 3.29Å; E87-K90 PolarHBondContact OE2-NZ 2.92Å; E87-I91 PolarHBondContact O-N 3.17Å | ||
| 88 | Q | 98.7 | Very high | 96.8 | Very high | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -49.3 | -51.3 | -175.3 | -176 | 68.1 | 45.6 | 0 | 0 | 112.7 | V86 K90 I91 D92 S116 C120 L138 V351 | V86-Q88 VanDerWaalsContact C-N 3.28Å; V86-Q88 PolarHBondContact O-N 3.5Å; V86-Q88 VanDerWaalsContact O-N 3.17Å; Q88-K90 VanDerWaalsContact C-N 3.3Å; Q88-K90 PolarHBondContact O-N 2.99Å; Q88-I91 PolarHBondContact O-N 3.33Å; Q88-D92 VanDerWaalsContact NE2-CG 3.33Å; Q88-D92 PolarHBondContact NE2-OD1 3.43Å; Q88-D92 PolarHBondContact NE2-OD2 3.23Å; Q88-D92 WeakPolarHBondContact O-CB 3.22Å; Q88-D92 PolarHBondContact O-N 2.97Å; Q88-S116 PolarHBondContact NE2-O 3.43Å; Q88-S116 VanDerWaalsContact NE2-O 3.15Å; Q88-S116 PolarHBondContact NE2-OG 3.26Å; Q88-S116 VanDerWaalsContact NE2-OG 3.15Å; Q88-C120 VanDerWaalsContact OE1-CB 3.25Å; Q88-C120 VanDerWaalsContact OE1-N 3.15Å; Q88-L138 HydrophobicContact CB-CD1 3.97Å; Q88-L138 HydrophobicContact CB-CD2 3.96Å; Q88-L138 HydrophobicContact CG-CD1 4.09Å; Q88-V351 HydrophobicContact CG-CB 4.38Å; Q88-V351 HydrophobicContact CG-CG1 4.28Å |
| 89 | E | 98.4 | Very high | 96.9 | Very high | 128 Ų | 128 | 52 Ų | 52 | 60% | 0.598 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -59.2 | -40.1 | -179.1 | 176.4 | 173.1 | -165.5 | 0 | 0 | 112.4 | E87 K93 T352 | E87-E89 VanDerWaalsContact C-N 3.35Å; E87-E89 PolarHBondContact O-N 2.93Å; E89-K93 WeakPolarHBondContact O-CB 3.2Å; E89-K93 PolarHBondContact O-N 3.34Å; E89-T352 WeakPolarHBondContact CA-OG1 3.49Å; E89-T352 HydrophobicContact CB-CG2 4.1Å; E89-T352 HydrophobicContact CG-CG2 4.01Å |
| 90 | K | 98.2 | Very high | 97 | Very high | 96 Ų | 96 | 52.5 Ų | 52.5 | 42% | 0.417 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -69.9 | -41.2 | 179.8 | -175.1 | 177 | 170.8 | -172.8 | 0 | 111.5 | V83 E87 Q88 L94 | V83-K90 HydrophobicContact CG1-CB 4.46Å; V83-K90 HydrophobicContact CG1-CD 3.75Å; V83-K90 HydrophobicContact CG1-CG 4.12Å; V83-K90 HydrophobicContact CG2-CD 4.49Å; E87-K90 HydrophobicContact CB-CB 3.97Å; E87-K90 HydrophobicContact CB-CD 4.3Å; E87-K90 WeakPolarHBondContact O-CB 3.45Å; E87-K90 PolarHBondContact O-N 3.44Å; E87-K90 VanDerWaalsContact O-N 3.08Å; E87-K90 WeakPolarHBondContact OE1-CD 3.38Å; E87-K90 IonicContact OE1-NZ 2.74Å; E87-K90 PolarHBondContact OE1-NZ 3.15Å; E87-K90 IonicContact OE2-NZ 3.29Å; E87-K90 PolarHBondContact OE2-NZ 2.92Å; Q88-K90 VanDerWaalsContact C-N 3.3Å; Q88-K90 PolarHBondContact O-N 2.99Å; K90-L94 VanDerWaalsContact O-CG 3.25Å; K90-L94 WeakPolarHBondContact O-CG 3.39Å; K90-L94 PolarHBondContact O-N 3.15Å |
| 91 | I | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -68.6 | -45.7 | 178.5 | -67.1 | 168.3 | 0 | 0 | 0 | 110.6 | I4 L78 V83 S84 E87 Q88 K93 L94 M95 V119 | I4-I91 HydrophobicContact CD1-CD1 4.25Å; L78-I91 HydrophobicContact CD1-CG2 3.96Å; L78-I91 HydrophobicContact CD2-CG2 4.14Å; V83-I91 HydrophobicContact CB-CG1 4.18Å; V83-I91 HydrophobicContact CG1-CD1 4.12Å; V83-I91 HydrophobicContact CG1-CG1 3.66Å; S84-I91 WeakPolarHBondContact O-CD1 3.47Å; E87-I91 PolarHBondContact O-N 3.17Å; Q88-I91 PolarHBondContact O-N 3.33Å; I91-K93 VanDerWaalsContact C-N 3.35Å; I91-K93 PolarHBondContact O-N 3.36Å; I91-L94 PolarHBondContact O-N 2.88Å; I91-M95 HydrophobicContact CG2-CE 4.26Å; I91-M95 PolarHBondContact O-N 2.88Å; I91-M95 VanDerWaalsContact O-N 3.14Å; I91-V119 HydrophobicContact CB-CG1 4.35Å; I91-V119 HydrophobicContact CD1-CG1 3.52Å; I91-V119 HydrophobicContact CD1-CG2 4.39Å; I91-V119 HydrophobicContact CG2-CG1 4.26Å; I91-V119 HydrophobicContact CG2-CG2 3.92Å |
| 92 | D | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59 | -47.9 | 175.1 | -74.3 | -20.7 | 0 | 0 | 0 | 110.4 | Q88 L94 M95 L96 S116 T352 | Q88-D92 VanDerWaalsContact NE2-CG 3.33Å; Q88-D92 PolarHBondContact NE2-OD1 3.43Å; Q88-D92 PolarHBondContact NE2-OD2 3.23Å; Q88-D92 WeakPolarHBondContact O-CB 3.22Å; Q88-D92 PolarHBondContact O-N 2.97Å; D92-L94 VanDerWaalsContact C-N 3.32Å; D92-L94 PolarHBondContact O-N 3.28Å; D92-M95 PolarHBondContact O-N 3.07Å; D92-M95 VanDerWaalsContact O-N 3.1Å; D92-M95 WeakPolarHBondContact OD1-CE 3.4Å; D92-L96 VanDerWaalsContact O-CG 3.26Å; D92-L96 WeakPolarHBondContact O-CG 3.18Å; D92-L96 PolarHBondContact O-N 3.03Å; D92-S116 VanDerWaalsContact CG-OG 3.23Å; D92-S116 WeakPolarHBondContact OD1-CB 3.4Å; D92-S116 PolarHBondContact OD1-OG 2.86Å; D92-S116 PolarHBondContact OD2-OG 3.05Å; D92-T352 WeakPolarHBondContact OD2-CB 3.02Å; D92-T352 PolarHBondContact OD2-N 2.86Å; D92-T352 PolarHBondContact OD2-OG1 3.02Å |
| 93 | K | 98.6 | Very high | 97.3 | Very high | 112 Ų | 112 | 49.3 Ų | 49.3 | 49% | 0.487 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -56.6 | -42.9 | 176.3 | 177.7 | 163.7 | 176.9 | 42.7 | 0 | 113 | E89 I91 M95 L96 D97 | E89-K93 WeakPolarHBondContact O-CB 3.2Å; E89-K93 PolarHBondContact O-N 3.34Å; I91-K93 VanDerWaalsContact C-N 3.35Å; I91-K93 PolarHBondContact O-N 3.36Å; K93-M95 VanDerWaalsContact C-N 3.33Å; K93-M95 PolarHBondContact O-N 3.38Å; K93-L96 PolarHBondContact O-N 3.16Å; K93-D97 WeakPolarHBondContact CE-OD2 3.25Å; K93-D97 WeakPolarHBondContact CG-OD2 3.3Å; K93-D97 VanDerWaalsContact NZ-CG 3.25Å; K93-D97 IonicContact NZ-OD1 3.07Å; K93-D97 PolarHBondContact NZ-OD1 2.6Å; K93-D97 IonicContact NZ-OD2 3.83Å; K93-D97 PolarHBondContact NZ-OD2 2.95Å; K93-D97 WeakPolarHBondContact O-CB 3.35Å; K93-D97 PolarHBondContact O-N 3.17Å |
| 94 | L | 98.3 | Very high | 97.6 | Very high | 43 Ų | 43 | 49.2 Ų | 49.2 | 23% | 0.225 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.3 | -42.9 | 176.9 | -75.2 | 168.8 | 0 | 0 | 0 | 111.7 | L78 K81 V83 K90 I91 D92 M98 | L78-L94 HydrophobicContact CD2-CB 4.2Å; L78-L94 HydrophobicContact CD2-CD1 4.35Å; K81-L94 HydrophobicContact CG-CD1 4.49Å; V83-L94 HydrophobicContact CG2-CD1 3.89Å; K90-L94 VanDerWaalsContact O-CG 3.25Å; K90-L94 WeakPolarHBondContact O-CG 3.39Å; K90-L94 PolarHBondContact O-N 3.15Å; I91-L94 PolarHBondContact O-N 2.88Å; D92-L94 VanDerWaalsContact C-N 3.32Å; D92-L94 PolarHBondContact O-N 3.28Å; L94-M98 WeakPolarHBondContact O-CB 3.46Å; L94-M98 WeakPolarHBondContact O-CG 3.47Å; L94-M98 PolarHBondContact O-N 2.61Å |
| 95 | M | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.6 | -41.4 | 177.5 | -65.5 | -172.2 | -68.5 | 0 | 0 | 112 | I74 L78 I91 D92 K93 M98 D99 I112 V115 | I74-M95 HydrophobicContact CG2-CG 4.03Å; I74-M95 HydrophobicContact CG2-SD 3.87Å; L78-M95 HydrophobicContact CD1-CG 4.15Å; L78-M95 HydrophobicContact CD1-SD 4.07Å; L78-M95 HydrophobicContact CD2-CG 4.37Å; I91-M95 HydrophobicContact CG2-CE 4.26Å; I91-M95 PolarHBondContact O-N 2.88Å; I91-M95 VanDerWaalsContact O-N 3.14Å; D92-M95 PolarHBondContact O-N 3.07Å; D92-M95 VanDerWaalsContact O-N 3.1Å; D92-M95 WeakPolarHBondContact OD1-CE 3.4Å; K93-M95 VanDerWaalsContact C-N 3.33Å; K93-M95 PolarHBondContact O-N 3.38Å; M95-M98 PolarHBondContact O-N 3.18Å; M95-D99 WeakPolarHBondContact O-CB 3.3Å; M95-D99 PolarHBondContact O-N 2.57Å; M95-I112 HydrophobicContact CB-CG2 4.04Å; M95-I112 HydrophobicContact CE-CG2 3.99Å; M95-I112 HydrophobicContact SD-CG2 4.31Å; M95-V115 HydrophobicContact CE-CB 4.34Å; M95-V115 HydrophobicContact CE-CG1 4.23Å; M95-V115 HydrophobicContact SD-CB 3.67Å; M95-V115 HydrophobicContact SD-CG1 3.55Å; M95-V115 VanDerWaalsContact SD-CG1 3.55Å; M95-V115 HydrophobicContact SD-CG2 4.46Å |
| 96 | L | 98.6 | Very high | 97.7 | Very high | 43 Ų | 43 | 56.4 Ų | 56.4 | 23% | 0.225 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.4 | -45.7 | 176.2 | -64.8 | 173.4 | 0 | 0 | 0 | 111.8 | D92 K93 M98 D99 G100 K104 E353 | D92-L96 VanDerWaalsContact O-CG 3.26Å; D92-L96 WeakPolarHBondContact O-CG 3.18Å; D92-L96 PolarHBondContact O-N 3.03Å; K93-L96 PolarHBondContact O-N 3.16Å; L96-M98 VanDerWaalsContact C-N 3.32Å; L96-M98 PolarHBondContact O-N 3.37Å; L96-D99 PolarHBondContact O-N 3.11Å; L96-G100 PolarHBondContact O-N 3.43Å; L96-K104 HydrophobicContact CD2-CD 4.33Å; L96-K104 HydrophobicContact CD2-CG 4.38Å; L96-E353 HydrophobicContact CD1-CG 4.28Å |
| 97 | D | 98.4 | Very high | 97.8 | Very high | 97 Ų | 97 | 54.8 Ų | 54.8 | 52% | 0.519 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -66 | -35.3 | 178.3 | -67.8 | -17.2 | 0 | 0 | 0 | 111.5 | K93 | K93-D97 WeakPolarHBondContact CE-OD2 3.25Å; K93-D97 WeakPolarHBondContact CG-OD2 3.3Å; K93-D97 VanDerWaalsContact NZ-CG 3.25Å; K93-D97 IonicContact NZ-OD1 3.07Å; K93-D97 PolarHBondContact NZ-OD1 2.6Å; K93-D97 IonicContact NZ-OD2 3.83Å; K93-D97 PolarHBondContact NZ-OD2 2.95Å; K93-D97 WeakPolarHBondContact O-CB 3.35Å; K93-D97 PolarHBondContact O-N 3.17Å |
| 98 | M | 98.3 | Very high | 97.8 | Very high | 55 Ų | 55 | 51.3 Ų | 51.3 | 27% | 0.271 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -70.7 | -36.1 | 175.8 | -75.9 | 174.1 | 56.2 | 0 | 0 | 113.3 | T73 A77 L94 M95 L96 K106 F107 | T73-M98 HydrophobicContact CG2-CE 4.03Å; A77-M98 HydrophobicContact CB-CE 3.47Å; A77-M98 VanDerWaalsContact CB-CE 3.47Å; A77-M98 HydrophobicContact CB-SD 3.66Å; L94-M98 WeakPolarHBondContact O-CB 3.46Å; L94-M98 WeakPolarHBondContact O-CG 3.47Å; L94-M98 PolarHBondContact O-N 2.61Å; M95-M98 PolarHBondContact O-N 3.18Å; L96-M98 VanDerWaalsContact C-N 3.32Å; L96-M98 PolarHBondContact O-N 3.37Å; M98-K106 PolarHBondContact O-NZ 3.32Å; M98-F107 HydrophobicContact CB-CE2 3.7Å; M98-F107 HydrophobicContact CB-CZ 4.09Å; M98-F107 HydrophobicContact CE-CE2 4.38Å; M98-F107 HydrophobicContact CE-CZ 4.35Å |
| 99 | D | 98.6 | Very high | 97.7 | Very high | 4 Ų | 4 | 51.4 Ų | 51.4 | 2% | 0.021 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -66.4 | -52.8 | 172.2 | -179 | -80.5 | 0 | 0 | 0 | 109.7 | M95 L96 T101 K104 K106 F107 I112 | M95-D99 WeakPolarHBondContact O-CB 3.3Å; M95-D99 PolarHBondContact O-N 2.57Å; L96-D99 PolarHBondContact O-N 3.11Å; D99-T101 PolarHBondContact O-N 3.12Å; D99-T101 WeakPolarHBondContact OD1-CB 3.46Å; D99-T101 PolarHBondContact OD1-N 3.09Å; D99-T101 PolarHBondContact OD1-OG1 3.47Å; D99-K104 WeakPolarHBondContact OD1-CA 3.31Å; D99-K106 WeakPolarHBondContact O-CD 3.26Å; D99-K106 WeakPolarHBondContact OD2-CB 3.38Å; D99-K106 PolarHBondContact OD2-N 3.32Å; D99-F107 HydrophobicContact CB-CD2 3.7Å; D99-F107 HydrophobicContact CB-CE2 4.03Å; D99-F107 HydrophobicContact CB-CG 4.38Å; D99-F107 PolarHBondContact OD2-N 3.49Å; D99-I112 HydrophobicContact CB-CD1 3.93Å |
| 100 | G | 98.1 | Very high | 97.7 | Very high | 64 Ų | 64 | 45.5 Ų | 45.5 | 66% | 0.66 | 24% | 0.242 | S | C | * | . | trans | 73.2 | 7.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115 | L96 | L96-G100 PolarHBondContact O-N 3.43Š| ||
| 101 | T | 97.7 | Very high | 97.8 | Very high | 50 Ų | 50 | 40.9 Ų | 40.9 | 31% | 0.307 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -109.4 | 151.8 | 176.8 | 74.8 | 0 | 0 | 0 | 0 | 111.4 | D99 N103 K104 S105 K106 | D99-T101 PolarHBondContact O-N 3.12Å; D99-T101 WeakPolarHBondContact OD1-CB 3.46Å; D99-T101 PolarHBondContact OD1-N 3.09Å; D99-T101 PolarHBondContact OD1-OG1 3.47Å; T101-N103 VanDerWaalsContact C-N 3.32Å; T101-N103 PolarHBondContact O-N 3.02Å; T101-K104 VanDerWaalsContact OG1-CA 3.3Å; T101-K104 WeakPolarHBondContact OG1-CA 3.37Å; T101-K104 PolarHBondContact OG1-N 3.49Å; T101-S105 PolarHBondContact OG1-N 3.48Å; T101-S105 PolarHBondContact OG1-OG 2.94Å; T101-K106 HydrophobicContact CG2-CB 3.95Å |
| 102 | E | 93.8 | Very high | 97.8 | Very high | 152 Ų | 152 | 40.9 Ų | 40.9 | 71% | 0.71 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -36.9 | -178.8 | -178.2 | 171.2 | -167.8 | 0 | 0 | 112.7 | K327 | E102-K327 IonicContact OE1-NZ 2.97Å; E102-K327 PolarHBondContact OE1-NZ 3.04Å |
| 103 | N | 93.8 | Very high | 97.8 | Very high | 65 Ų | 65 | 40.9 Ų | 40.9 | 35% | 0.348 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.9 | 17.4 | -174.7 | 67.3 | -17.9 | 0 | 0 | 0 | 113.4 | L48 T101 S105 | L48-N103 PolarHBondContact N-O 3.46Å; T101-N103 VanDerWaalsContact C-N 3.32Å; T101-N103 PolarHBondContact O-N 3.02Å; N103-S105 PolarHBondContact O-N 3.22Å; N103-S105 WeakPolarHBondContact OD1-CB 3.17Å; N103-S105 PolarHBondContact OD1-N 2.94Å; N103-S105 PolarHBondContact OD1-OG 3.49Å |
| 104 | K | 97.8 | Very high | 97.8 | Very high | 5 Ų | 5 | 35.6 Ų | 35.6 | 2% | 0.022 | 20% | 0.199 | C | C | . | . | trans | 59.8 | 28 | 178.6 | -56.1 | 171.3 | 169.6 | 66.5 | 0 | 113.4 | A47 L96 D99 T101 K106 G108 A109 I112 I348 E353 | A47-K104 HydrophobicContact CB-CD 4.07Å; L96-K104 HydrophobicContact CD2-CD 4.33Å; L96-K104 HydrophobicContact CD2-CG 4.38Å; D99-K104 WeakPolarHBondContact OD1-CA 3.31Å; T101-K104 VanDerWaalsContact OG1-CA 3.3Å; T101-K104 WeakPolarHBondContact OG1-CA 3.37Å; T101-K104 PolarHBondContact OG1-N 3.49Å; K104-K106 VanDerWaalsContact C-N 3.31Å; K104-K106 PolarHBondContact O-N 3.48Å; K104-G108 CarbonylContact O-C 3.42Å; K104-G108 WeakPolarHBondContact O-CA 3.25Å; K104-G108 PolarHBondContact O-N 3.14Å; K104-A109 HydrophobicContact CB-CB 4.24Å; K104-A109 HydrophobicContact CD-CB 4.11Å; K104-I112 HydrophobicContact CB-CD1 3.97Å; K104-I112 HydrophobicContact CD-CD1 4.07Å; K104-I112 HydrophobicContact CG-CD1 3.88Å; K104-I348 WeakPolarHBondContact CD-O 3.46Å; K104-I348 WeakPolarHBondContact CE-O 3.38Å; K104-I348 PolarHBondContact NZ-O 2.84Å; K104-E353 WeakPolarHBondContact CE-OE2 3.45Å; K104-E353 IonicContact NZ-OE1 3.01Å; K104-E353 PolarHBondContact NZ-OE1 3.45Å; K104-E353 IonicContact NZ-OE2 3.03Å; K104-E353 PolarHBondContact NZ-OE2 2.85Å | ||
| 105 | S | 96.6 | Very high | 97.8 | Very high | 47 Ų | 47 | 33.5 Ų | 33.5 | 33% | 0.329 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -14.8 | -172.3 | 51.5 | 0 | 0 | 0 | 0 | 114.3 | T101 N103 | T101-S105 PolarHBondContact OG1-N 3.48Å; T101-S105 PolarHBondContact OG1-OG 2.94Å; N103-S105 PolarHBondContact O-N 3.22Å; N103-S105 WeakPolarHBondContact OD1-CB 3.17Å; N103-S105 PolarHBondContact OD1-N 2.94Å; N103-S105 PolarHBondContact OD1-OG 3.49Å |
| 106 | K | 97.6 | Very high | 97.8 | Very high | 110 Ų | 110 | 33.5 Ų | 33.5 | 48% | 0.478 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -48 | 178.4 | -180 | -172.9 | 177.5 | -173.4 | 0 | 111.7 | H69 M98 D99 T101 K104 | H69-K106 PolarHBondContact NE2-O 3.1Å; M98-K106 PolarHBondContact O-NZ 3.32Å; D99-K106 WeakPolarHBondContact O-CD 3.26Å; D99-K106 WeakPolarHBondContact OD2-CB 3.38Å; D99-K106 PolarHBondContact OD2-N 3.32Å; T101-K106 HydrophobicContact CG2-CB 3.95Å; K104-K106 VanDerWaalsContact C-N 3.31Å; K104-K106 PolarHBondContact O-N 3.48Å |
| 107 | F | 98.2 | Very high | 97.9 | Very high | 6 Ų | 6 | 31.7 Ų | 31.7 | 3% | 0.026 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97 | -24.2 | 178.1 | -62.3 | -29.6 | 0 | 0 | 0 | 113.3 | L50 H69 T73 I74 M98 D99 A111 I112 | L50-F107 WeakPolarHBondContact CD2-O 3.41Å; H69-F107 HydrophobicContact CB-CB 4.4Å; H69-F107 HydrophobicContact CB-CD1 4.11Å; H69-F107 AromaticContact CG-CD1 3.91Å; H69-F107 AromaticContact ND1-CD1 3.86Å; T73-F107 HydrophobicContact CG2-CE1 3.99Å; T73-F107 HydrophobicContact CG2-CZ 3.88Å; I74-F107 HydrophobicContact CD1-CB 4.45Å; I74-F107 HydrophobicContact CD1-CD2 4Å; I74-F107 HydrophobicContact CD1-CG 4.32Å; I74-F107 HydrophobicContact CG1-CD2 4.16Å; I74-F107 HydrophobicContact CG1-CE2 4.21Å; M98-F107 HydrophobicContact CB-CE2 3.7Å; M98-F107 HydrophobicContact CB-CZ 4.09Å; M98-F107 HydrophobicContact CE-CE2 4.38Å; M98-F107 HydrophobicContact CE-CZ 4.35Å; D99-F107 HydrophobicContact CB-CD2 3.7Å; D99-F107 HydrophobicContact CB-CE2 4.03Å; D99-F107 HydrophobicContact CB-CG 4.38Å; D99-F107 PolarHBondContact OD2-N 3.49Å; F107-A111 HydrophobicContact CB-CB 4.25Å; F107-A111 WeakPolarHBondContact O-CB 3.49Å; F107-I112 HydrophobicContact CB-CG1 4.35Å; F107-I112 HydrophobicContact CD2-CG1 4.47Å |
| 108 | G | 98.1 | Very high | 97.9 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.154 | C | C | . | . | trans | 90.2 | 135 | -166.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | L48 K104 N110 A111 I112 | L48-G108 CarbonylContact O-C 3.56Å; L48-G108 WeakPolarHBondContact O-CA 3.35Å; K104-G108 CarbonylContact O-C 3.42Å; K104-G108 WeakPolarHBondContact O-CA 3.25Å; K104-G108 PolarHBondContact O-N 3.14Å; G108-N110 WeakPolarHBondContact CA-OD1 3.48Å; G108-N110 PolarHBondContact O-N 3.38Å; G108-A111 WeakPolarHBondContact O-CB 3.42Å; G108-A111 PolarHBondContact O-N 3.44Å; G108-I112 PolarHBondContact O-N 3.25Å | ||
| 109 | A | 97.9 | Very high | 97.9 | Very high | 3 Ų | 3 | 24.4 Ų | 24.4 | 3% | 0.025 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -57.4 | -33.3 | 173 | 0 | 0 | 0 | 0 | 0 | 111.8 | A47 L48 K104 A111 I112 L113 | A47-A109 HydrophobicContact CB-CB 3.62Å; L48-A109 WeakPolarHBondContact O-CB 3.47Å; L48-A109 PolarHBondContact O-N 2.93Å; K104-A109 HydrophobicContact CB-CB 4.24Å; K104-A109 HydrophobicContact CD-CB 4.11Å; A109-A111 VanDerWaalsContact C-N 3.35Å; A109-A111 PolarHBondContact O-N 3.24Å; A109-I112 PolarHBondContact O-N 3.01Å; A109-L113 WeakPolarHBondContact O-CB 3.34Å; A109-L113 PolarHBondContact O-N 3.46Å |
| 110 | N | 98.3 | Very high | 97.9 | Very high | 3 Ų | 3 | 24.2 Ų | 24.2 | 2% | 0.016 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -65.5 | -32.7 | 173.9 | 55.1 | -17.7 | 0 | 0 | 0 | 113.5 | V21 V36 E49 L50 G108 G114 | V21-N110 HydrophobicContact CG2-CB 4.27Å; V36-N110 HydrophobicContact CG1-CB 3.95Å; V36-N110 WeakPolarHBondContact CG2-O 3.33Å; E49-N110 HydrophobicContact CG-CB 4.08Å; E49-N110 WeakPolarHBondContact CG-ND2 3.27Å; L50-N110 PolarHBondContact N-OD1 3.35Å; L50-N110 PolarHBondContact O-ND2 3.3Å; G108-N110 WeakPolarHBondContact CA-OD1 3.48Å; G108-N110 PolarHBondContact O-N 3.38Å; N110-G114 PolarHBondContact O-N 2.75Å |
| 111 | A | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -69.7 | -49.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | A66 I70 I74 F107 G108 A109 | A66-A111 HydrophobicContact CB-CB 4.26Å; I70-A111 HydrophobicContact CD1-CB 4.13Å; I70-A111 HydrophobicContact CG1-CB 3.82Å; I74-A111 HydrophobicContact CD1-CB 4.35Å; F107-A111 HydrophobicContact CB-CB 4.25Å; F107-A111 WeakPolarHBondContact O-CB 3.49Å; G108-A111 WeakPolarHBondContact O-CB 3.42Å; G108-A111 PolarHBondContact O-N 3.44Å; A109-A111 VanDerWaalsContact C-N 3.35Å; A109-A111 PolarHBondContact O-N 3.24Å |
| 112 | I | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -64.7 | -46.5 | -178.1 | -62 | 177.9 | 0 | 0 | 0 | 110.4 | M95 D99 K104 F107 G108 A109 G114 V115 S116 G349 | M95-I112 HydrophobicContact CB-CG2 4.04Å; M95-I112 HydrophobicContact CE-CG2 3.99Å; M95-I112 HydrophobicContact SD-CG2 4.31Å; D99-I112 HydrophobicContact CB-CD1 3.93Å; K104-I112 HydrophobicContact CB-CD1 3.97Å; K104-I112 HydrophobicContact CD-CD1 4.07Å; K104-I112 HydrophobicContact CG-CD1 3.88Å; F107-I112 HydrophobicContact CB-CG1 4.35Å; F107-I112 HydrophobicContact CD2-CG1 4.47Å; G108-I112 PolarHBondContact O-N 3.25Å; A109-I112 PolarHBondContact O-N 3.01Å; I112-G114 PolarHBondContact O-N 2.86Å; I112-V115 PolarHBondContact O-N 2.87Å; I112-S116 WeakPolarHBondContact O-CB 3.44Å; I112-S116 PolarHBondContact O-N 3.34Å; I112-G349 WeakPolarHBondContact CG2-O 3.33Å |
| 113 | L | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -63 | -43.9 | -177.2 | -175.4 | 66.7 | 0 | 0 | 0 | 111.9 | V36 A109 V115 S116 L117 V345 N346 G349 | V36-L113 HydrophobicContact CG1-CD2 3.9Å; V36-L113 HydrophobicContact CG2-CB 4.29Å; V36-L113 HydrophobicContact CG2-CD2 4.34Å; V36-L113 HydrophobicContact CG2-CG 4.38Å; A109-L113 WeakPolarHBondContact O-CB 3.34Å; A109-L113 PolarHBondContact O-N 3.46Å; L113-V115 VanDerWaalsContact C-N 3.27Å; L113-V115 PolarHBondContact O-N 3Å; L113-S116 WeakPolarHBondContact O-CB 3.39Å; L113-S116 PolarHBondContact O-N 3.36Å; L113-S116 VanDerWaalsContact O-N 3.09Å; L113-L117 HydrophobicContact CD1-CD1 4.31Å; L113-L117 HydrophobicContact CD1-CD2 4.13Å; L113-L117 HydrophobicContact CD1-CG 3.98Å; L113-L117 HydrophobicContact CD2-CD1 4.33Å; L113-L117 HydrophobicContact CG-CD1 3.89Å; L113-L117 HydrophobicContact CG-CG 4.01Å; L113-L117 VanDerWaalsContact O-CG 3.25Å; L113-L117 WeakPolarHBondContact O-CG 3.42Å; L113-L117 PolarHBondContact O-N 2.8Å; L113-V345 HydrophobicContact CD1-CB 4.23Å; L113-V345 HydrophobicContact CD1-CG2 4.43Å; L113-V345 HydrophobicContact CD2-CG2 4.15Å; L113-N346 VanDerWaalsContact CD2-CA 3.46Å; L113-N346 HydrophobicContact CD2-CB 3.43Å; L113-N346 VanDerWaalsContact CD2-CB 3.43Å; L113-G349 WeakPolarHBondContact CA-O 3.27Å; L113-G349 PolarHBondContact N-O 3.29Å |
| 114 | G | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -56.9 | -42.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | V36 N110 I112 A118 | V36-G114 VanDerWaalsContact CG2-CA 3.47Å; N110-G114 PolarHBondContact O-N 2.75Å; I112-G114 PolarHBondContact O-N 2.86Å; G114-A118 WeakPolarHBondContact O-CB 3.32Å; G114-A118 PolarHBondContact O-N 3.04Å |
| 115 | V | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -68.5 | -45.6 | 174.7 | 179.5 | 0 | 0 | 0 | 0 | 111 | I7 V23 I70 I74 L78 M95 I112 L113 L117 A118 V119 | I7-V115 HydrophobicContact CD1-CG1 4.03Å; I7-V115 HydrophobicContact CG2-CG2 4.35Å; V23-V115 HydrophobicContact CG1-CG2 4.12Å; V23-V115 HydrophobicContact CG2-CG2 4.34Å; I70-V115 HydrophobicContact CD1-CG2 4.45Å; I70-V115 HydrophobicContact CG1-CG2 4.16Å; I70-V115 HydrophobicContact CG2-CG2 3.78Å; I74-V115 HydrophobicContact CG2-CG1 4.38Å; I74-V115 HydrophobicContact CG2-CG2 4.18Å; L78-V115 HydrophobicContact CD1-CG1 3.68Å; M95-V115 HydrophobicContact CE-CB 4.34Å; M95-V115 HydrophobicContact CE-CG1 4.23Å; M95-V115 HydrophobicContact SD-CB 3.67Å; M95-V115 HydrophobicContact SD-CG1 3.55Å; M95-V115 VanDerWaalsContact SD-CG1 3.55Å; M95-V115 HydrophobicContact SD-CG2 4.46Å; I112-V115 PolarHBondContact O-N 2.87Å; L113-V115 VanDerWaalsContact C-N 3.27Å; L113-V115 PolarHBondContact O-N 3Å; V115-L117 VanDerWaalsContact C-N 3.33Å; V115-L117 PolarHBondContact O-N 3.3Å; V115-A118 PolarHBondContact O-N 2.91Å; V115-V119 HydrophobicContact CG1-CG2 4.14Å; V115-V119 WeakPolarHBondContact O-CB 3.44Å; V115-V119 VanDerWaalsContact O-CG2 3.22Å; V115-V119 WeakPolarHBondContact O-CG2 3.34Å; V115-V119 PolarHBondContact O-N 3.12Å |
| 116 | S | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -55.4 | -44.7 | 179.5 | -171.9 | 0 | 0 | 0 | 0 | 112.7 | Q88 D92 I112 L113 C120 V351 | Q88-S116 PolarHBondContact NE2-O 3.43Å; Q88-S116 VanDerWaalsContact NE2-O 3.15Å; Q88-S116 PolarHBondContact NE2-OG 3.26Å; Q88-S116 VanDerWaalsContact NE2-OG 3.15Å; D92-S116 VanDerWaalsContact CG-OG 3.23Å; D92-S116 WeakPolarHBondContact OD1-CB 3.4Å; D92-S116 PolarHBondContact OD1-OG 2.86Å; D92-S116 PolarHBondContact OD2-OG 3.05Å; I112-S116 WeakPolarHBondContact O-CB 3.44Å; I112-S116 PolarHBondContact O-N 3.34Å; L113-S116 WeakPolarHBondContact O-CB 3.39Å; L113-S116 PolarHBondContact O-N 3.36Å; L113-S116 VanDerWaalsContact O-N 3.09Å; S116-C120 PolarHBondContact O-N 3.23Å; S116-C120 VanDerWaalsContact O-N 3.07Å; S116-V351 WeakPolarHBondContact OG-CG2 3.25Å; S116-V351 PolarHBondContact OG-N 3.35Å |
| 117 | L | 98.9 | Very high | 98.6 | Very high | 4 Ų | 4 | 10.6 Ų | 10.6 | 2% | 0.021 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -67.1 | -43.5 | 177.2 | -63.7 | 175.8 | 0 | 0 | 0 | 112.1 | A34 L113 V115 V119 C120 K121 V351 F381 | A34-L117 HydrophobicContact CB-CB 3.39Å; A34-L117 HydrophobicContact CB-CD1 4.29Å; A34-L117 HydrophobicContact CB-CG 4.5Å; L113-L117 HydrophobicContact CD1-CD1 4.31Å; L113-L117 HydrophobicContact CD1-CD2 4.13Å; L113-L117 HydrophobicContact CD1-CG 3.98Å; L113-L117 HydrophobicContact CD2-CD1 4.33Å; L113-L117 HydrophobicContact CG-CD1 3.89Å; L113-L117 HydrophobicContact CG-CG 4.01Å; L113-L117 VanDerWaalsContact O-CG 3.25Å; L113-L117 WeakPolarHBondContact O-CG 3.42Å; L113-L117 PolarHBondContact O-N 2.8Å; V115-L117 VanDerWaalsContact C-N 3.33Å; V115-L117 PolarHBondContact O-N 3.3Å; L117-V119 VanDerWaalsContact C-N 3.33Å; L117-V119 PolarHBondContact O-N 2.91Å; L117-C120 PolarHBondContact O-N 3.33Å; L117-K121 WeakPolarHBondContact O-CG 3.44Å; L117-K121 PolarHBondContact O-N 3.2Å; L117-V351 HydrophobicContact CD2-CG2 3.72Å; L117-F381 HydrophobicContact CB-CD2 4.4Å; L117-F381 HydrophobicContact CB-CE2 4.44Å; L117-F381 HydrophobicContact CD2-CD1 3.46Å; L117-F381 VanDerWaalsContact CD2-CD1 3.46Å; L117-F381 HydrophobicContact CD2-CD2 3.73Å; L117-F381 HydrophobicContact CD2-CE1 3.35Å; L117-F381 HydrophobicContact CD2-CE2 3.63Å; L117-F381 HydrophobicContact CD2-CG 3.66Å; L117-F381 HydrophobicContact CD2-CZ 3.44Å; L117-F381 VanDerWaalsContact CD2-CZ 3.44Å |
| 118 | A | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -66 | -36 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112 | V23 L25 A34 G114 V115 K121 A122 | V23-A118 HydrophobicContact CB-CB 4.46Å; V23-A118 HydrophobicContact CG1-CB 4.22Å; L25-A118 HydrophobicContact CB-CB 3.87Å; A34-A118 HydrophobicContact CB-CB 4.13Å; G114-A118 WeakPolarHBondContact O-CB 3.32Å; G114-A118 PolarHBondContact O-N 3.04Å; V115-A118 PolarHBondContact O-N 2.91Å; A118-K121 PolarHBondContact O-N 2.95Å; A118-A122 WeakPolarHBondContact O-CB 3.43Å; A118-A122 PolarHBondContact O-N 2.98Å |
| 119 | V | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -61.8 | -47.9 | 171.7 | 170 | 0 | 0 | 0 | 0 | 110.6 | L25 I91 V115 L117 K121 A122 G123 | L25-V119 HydrophobicContact CD1-CB 4.34Å; L25-V119 HydrophobicContact CD1-CG2 3.42Å; L25-V119 VanDerWaalsContact CD1-CG2 3.42Å; I91-V119 HydrophobicContact CB-CG1 4.35Å; I91-V119 HydrophobicContact CD1-CG1 3.52Å; I91-V119 HydrophobicContact CD1-CG2 4.39Å; I91-V119 HydrophobicContact CG2-CG1 4.26Å; I91-V119 HydrophobicContact CG2-CG2 3.92Å; V115-V119 HydrophobicContact CG1-CG2 4.14Å; V115-V119 WeakPolarHBondContact O-CB 3.44Å; V115-V119 VanDerWaalsContact O-CG2 3.22Å; V115-V119 WeakPolarHBondContact O-CG2 3.34Å; V115-V119 PolarHBondContact O-N 3.12Å; L117-V119 VanDerWaalsContact C-N 3.33Å; L117-V119 PolarHBondContact O-N 2.91Å; V119-K121 VanDerWaalsContact C-N 3.32Å; V119-K121 PolarHBondContact O-N 3.38Å; V119-A122 CarbonylContact O-C 3.57Å; V119-A122 WeakPolarHBondContact O-CB 3.27Å; V119-A122 PolarHBondContact O-N 3.11Å; V119-A122 VanDerWaalsContact O-N 3.09Å; V119-G123 PolarHBondContact O-N 3.38Å |
| 120 | C | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -59.4 | -42.7 | 179.2 | -172.1 | 0 | 0 | 0 | 0 | 111.9 | Q88 S116 L117 A122 G123 A124 H134 V351 F381 | Q88-C120 VanDerWaalsContact OE1-CB 3.25Å; Q88-C120 VanDerWaalsContact OE1-N 3.15Å; S116-C120 PolarHBondContact O-N 3.23Å; S116-C120 VanDerWaalsContact O-N 3.07Å; L117-C120 PolarHBondContact O-N 3.33Å; C120-A122 PolarHBondContact O-N 3.38Å; C120-G123 PolarHBondContact O-N 3.47Å; C120-A124 PolarHBondContact O-N 3.17Å; C120-H134 PolarHBondContact O-CD2 3.19Å; C120-H134 VanDerWaalsContact O-CD2 3.23Å; C120-V351 HydrophobicContact CB-CG2 4.3Å; C120-F381 HydrophobicContact CB-CE2 3.99Å; C120-F381 HydrophobicContact CB-CZ 4.34Å |
| 121 | K | 98.9 | Very high | 98.7 | Very high | 39 Ų | 39 | 18.5 Ų | 18.5 | 17% | 0.17 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -60.7 | -44 | 173.3 | -72.1 | 175.1 | 177.6 | 179.1 | 0 | 112.3 | F32 R33 A34 L117 A118 V119 A124 A125 L131 D379 | F32-K121 HydrophobicContact CB-CB 4.12Å; F32-K121 HydrophobicContact CD1-CB 4.29Å; R33-K121 WeakPolarHBondContact O-CD 3.39Å; R33-K121 WeakPolarHBondContact O-CE 3.27Å; R33-K121 PolarHBondContact O-NZ 2.89Å; A34-K121 HydrophobicContact CB-CD 4.42Å; L117-K121 WeakPolarHBondContact O-CG 3.44Å; L117-K121 PolarHBondContact O-N 3.2Å; A118-K121 PolarHBondContact O-N 2.95Å; V119-K121 VanDerWaalsContact C-N 3.32Å; V119-K121 PolarHBondContact O-N 3.38Å; K121-A124 PolarHBondContact O-N 3.34Å; K121-A125 PolarHBondContact O-N 3.16Å; K121-L131 HydrophobicContact CG-CD1 4.35Å; K121-L131 HydrophobicContact CG-CD2 4.01Å; K121-D379 IonicContact NZ-OD1 3.35Å; K121-D379 PolarHBondContact NZ-OD1 2.62Å; K121-D379 IonicContact NZ-OD2 3.47Å; K121-D379 PolarHBondContact NZ-OD2 3.45Å |
| 122 | A | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -66.6 | -37.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L25 T27 F32 V85 A118 V119 C120 A124 A125 E126 | L25-A122 HydrophobicContact CD2-CB 3.75Å; T27-A122 HydrophobicContact CG2-CB 4.1Å; F32-A122 HydrophobicContact CB-CB 4.13Å; F32-A122 HydrophobicContact CD1-CB 4.28Å; F32-A122 HydrophobicContact CD2-CB 3.37Å; F32-A122 HydrophobicContact CE2-CB 3.83Å; F32-A122 HydrophobicContact CG-CB 3.62Å; F32-A122 HydrophobicContact CZ-CB 4.46Å; V85-A122 HydrophobicContact CB-CB 4.01Å; V85-A122 HydrophobicContact CG1-CB 4.06Å; V85-A122 HydrophobicContact CG2-CB 4.15Å; A118-A122 WeakPolarHBondContact O-CB 3.43Å; A118-A122 PolarHBondContact O-N 2.98Å; V119-A122 CarbonylContact O-C 3.57Å; V119-A122 WeakPolarHBondContact O-CB 3.27Å; V119-A122 PolarHBondContact O-N 3.11Å; V119-A122 VanDerWaalsContact O-N 3.09Å; C120-A122 PolarHBondContact O-N 3.38Å; A122-A124 VanDerWaalsContact C-N 3.35Å; A122-A125 PolarHBondContact O-N 3.08Å; A122-E126 WeakPolarHBondContact O-CB 3.22Å; A122-E126 PolarHBondContact O-N 3.47Å |
| 123 | G | 98.6 | Very high | 98.7 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -61.6 | -40.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | V85 V119 C120 E126 K127 | V85-G123 WeakPolarHBondContact O-CA 3.32Å; V119-G123 PolarHBondContact O-N 3.38Å; C120-G123 PolarHBondContact O-N 3.47Å; G123-E126 PolarHBondContact O-N 3.39Å; G123-K127 PolarHBondContact O-N 2.83Å; G123-K127 VanDerWaalsContact O-N 3.09Å |
| 124 | A | 98.8 | Very high | 98.7 | Very high | 4 Ų | 4 | 21.9 Ų | 21.9 | 3% | 0.033 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -61 | -48 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | C120 K121 A122 E126 K127 G128 V129 L131 H134 | C120-A124 PolarHBondContact O-N 3.17Å; K121-A124 PolarHBondContact O-N 3.34Å; A122-A124 VanDerWaalsContact C-N 3.35Å; A124-E126 PolarHBondContact O-N 2.79Å; A124-K127 CarbonylContact O-C 3.32Å; A124-K127 PolarHBondContact O-N 3.03Å; A124-G128 PolarHBondContact O-N 2.89Å; A124-V129 CarbonylContact C-O 3.5Å; A124-V129 PolarHBondContact O-N 2.79Å; A124-V129 VanDerWaalsContact O-N 3.08Å; A124-L131 HydrophobicContact CB-CB 4.41Å; A124-L131 HydrophobicContact CB-CD1 4.17Å; A124-H134 HydrophobicContact CB-CB 3.5Å |
| 125 | A | 98.5 | Very high | 98.7 | Very high | 32 Ų | 32 | 21.9 Ų | 21.9 | 26% | 0.264 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -68.8 | -32.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | F32 K121 A122 K127 G128 | F32-A125 HydrophobicContact CD1-CB 4.33Å; F32-A125 HydrophobicContact CE1-CB 3.21Å; F32-A125 HydrophobicContact CZ-CB 3.39Å; K121-A125 PolarHBondContact O-N 3.16Å; A122-A125 PolarHBondContact O-N 3.08Å; A125-K127 VanDerWaalsContact C-N 3.34Å; A125-G128 PolarHBondContact O-N 2.81Å |
| 126 | E | 98.1 | Very high | 98.7 | Very high | 42 Ų | 42 | 21.9 Ų | 21.9 | 20% | 0.196 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -64.8 | -40.2 | 172.7 | 178.7 | 65.3 | 174.5 | 0 | 0 | 111.2 | M2 V85 V86 A122 G123 A124 G128 | M2-E126 WeakPolarHBondContact CB-OE1 3.04Å; M2-E126 WeakPolarHBondContact CB-OE2 3.48Å; M2-E126 WeakPolarHBondContact CE-OE2 3.47Å; M2-E126 WeakPolarHBondContact CG-OE1 3.47Å; M2-E126 WeakPolarHBondContact CG-OE2 3.11Å; M2-E126 PolarHBondContact N-OE1 3.13Å; V85-E126 HydrophobicContact CG2-CB 3.9Å; V85-E126 HydrophobicContact CG2-CG 4.28Å; V86-E126 HydrophobicContact CG1-CB 3.93Å; V86-E126 HydrophobicContact CG1-CG 3.72Å; A122-E126 WeakPolarHBondContact O-CB 3.22Å; A122-E126 PolarHBondContact O-N 3.47Å; G123-E126 PolarHBondContact O-N 3.39Å; A124-E126 PolarHBondContact O-N 2.79Å; E126-G128 VanDerWaalsContact C-N 3.26Å; E126-G128 PolarHBondContact O-N 2.94Å |
| 127 | K | 98 | Very high | 98.7 | Very high | 90 Ų | 90 | 25.1 Ų | 25.1 | 39% | 0.391 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -74.4 | -13.8 | 173 | -70.7 | -169.6 | -173.8 | 177.4 | 0 | 113.7 | V86 G123 A124 A125 V129 D137 | V86-K127 HydrophobicContact CG1-CG 3.94Å; G123-K127 PolarHBondContact O-N 2.83Å; G123-K127 VanDerWaalsContact O-N 3.09Å; A124-K127 CarbonylContact O-C 3.32Å; A124-K127 PolarHBondContact O-N 3.03Å; A125-K127 VanDerWaalsContact C-N 3.34Å; K127-V129 HydrophobicContact CB-CG2 3.94Å; K127-D137 IonicContact NZ-OD2 3.54Å |
| 128 | G | 98.1 | Very high | 98.7 | Very high | 67 Ų | 67 | 27.5 Ų | 27.5 | 69% | 0.691 | 16% | 0.159 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 69 | 31 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | A124 A125 E126 | A124-G128 PolarHBondContact O-N 2.89Å; A125-G128 PolarHBondContact O-N 2.81Å; E126-G128 VanDerWaalsContact C-N 3.26Å; E126-G128 PolarHBondContact O-N 2.94Å |
| 129 | V | 98.7 | Very high | 98.6 | Very high | 45 Ų | 45 | 28.8 Ų | 28.8 | 27% | 0.273 | 17% | 0.169 | S | C | . | . | S | Bend | trans | -122.7 | 157.2 | 179.6 | -60 | 0 | 0 | 0 | 0 | 111.2 | A124 K127 R133 H134 | A124-V129 CarbonylContact C-O 3.5Å; A124-V129 PolarHBondContact O-N 2.79Å; A124-V129 VanDerWaalsContact O-N 3.08Å; K127-V129 HydrophobicContact CB-CG2 3.94Å; V129-R133 HydrophobicContact CB-CB 4.2Å; V129-R133 HydrophobicContact CB-CG 4.11Å; V129-R133 HydrophobicContact CG1-CG 4.43Å; V129-R133 HydrophobicContact CG2-CB 4.34Å; V129-R133 HydrophobicContact CG2-CG 4.39Å; V129-H134 HydrophobicContact CG2-CB 3.98Å |
| 130 | P | 98.8 | Very high | 98.6 | Very high | 41 Ų | 41 | 31.6 Ų | 31.6 | 27% | 0.266 | 20% | 0.198 | S | C | . | . | trans | -58.3 | 155.4 | 169.7 | -24.8 | 35.9 | 0 | 0 | 0 | 112.4 | Y132 R133 H134 E417 | P130-Y132 HydrophobicContact CB-CD1 3.77Å; P130-Y132 HydrophobicContact CB-CE1 3.3Å; P130-Y132 HydrophobicContact CB-CE2 4.42Å; P130-Y132 HydrophobicContact CG-CE1 4.01Å; P130-Y132 PolarHBondContact O-N 2.98Å; P130-R133 WeakPolarHBondContact O-CB 3.25Å; P130-R133 PolarHBondContact O-N 2.96Å; P130-R133 VanDerWaalsContact O-N 3.12Å; P130-H134 PolarHBondContact O-N 3.49Å; P130-E417 WeakPolarHBondContact CG-OE1 3.31Å | ||
| 131 | L | 98.9 | Very high | 98.5 | Very high | 24 Ų | 24 | 33.2 Ų | 33.2 | 13% | 0.126 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.9 | -44.7 | -175.4 | 175.1 | 64.2 | 0 | 0 | 0 | 112.3 | K121 A124 R133 H134 I135 F381 D384 | K121-L131 HydrophobicContact CG-CD1 4.35Å; K121-L131 HydrophobicContact CG-CD2 4.01Å; A124-L131 HydrophobicContact CB-CB 4.41Å; A124-L131 HydrophobicContact CB-CD1 4.17Å; L131-R133 PolarHBondContact O-N 2.97Å; L131-H134 WeakPolarHBondContact O-CB 3.49Å; L131-H134 PolarHBondContact O-N 2.88Å; L131-H134 VanDerWaalsContact O-N 3.12Å; L131-I135 HydrophobicContact CD1-CD1 3.98Å; L131-I135 HydrophobicContact CD1-CG1 4.1Å; L131-I135 HydrophobicContact CD2-CD1 4.49Å; L131-I135 HydrophobicContact CG-CD1 3.86Å; L131-I135 HydrophobicContact CG-CG1 4.39Å; L131-I135 WeakPolarHBondContact O-CG1 3.42Å; L131-I135 PolarHBondContact O-N 3.03Å; L131-F381 HydrophobicContact CD1-CE2 4.31Å; L131-F381 HydrophobicContact CD2-CD2 3.79Å; L131-F381 HydrophobicContact CD2-CE2 4.1Å; L131-D384 HydrophobicContact CB-CB 4.06Å; L131-D384 WeakPolarHBondContact CB-OD1 3.49Å; L131-D384 HydrophobicContact CD2-CB 3.75Å; L131-D384 HydrophobicContact CG-CB 3.74Å |
| 132 | Y | 98.9 | Very high | 98.4 | Very high | 15 Ų | 15 | 36.3 Ų | 36.3 | 6% | 0.059 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -56.8 | -34.9 | 175.9 | 64.4 | -96 | 0 | 0 | 0 | 112.9 | P130 A136 V144 D384 V387 G388 I414 E417 L418 | P130-Y132 HydrophobicContact CB-CD1 3.77Å; P130-Y132 HydrophobicContact CB-CE1 3.3Å; P130-Y132 HydrophobicContact CB-CE2 4.42Å; P130-Y132 HydrophobicContact CG-CE1 4.01Å; P130-Y132 PolarHBondContact O-N 2.98Å; Y132-A136 WeakPolarHBondContact O-CB 3.39Å; Y132-A136 PolarHBondContact O-N 2.87Å; Y132-V144 HydrophobicContact CD2-CG1 4.34Å; Y132-D384 WeakPolarHBondContact CA-O 3.25Å; Y132-D384 WeakPolarHBondContact CB-O 3.45Å; Y132-D384 WeakPolarHBondContact CD1-OD1 3.33Å; Y132-D384 PolarHBondContact N-OD1 3.5Å; Y132-V387 HydrophobicContact CD2-CG1 4.08Å; Y132-V387 HydrophobicContact CG-CG1 4.13Å; Y132-G388 VanDerWaalsContact O-CA 3.27Å; Y132-G388 WeakPolarHBondContact O-CA 3.17Å; Y132-I414 HydrophobicContact CD1-CB 4.39Å; Y132-I414 HydrophobicContact CD1-CD1 3.98Å; Y132-I414 HydrophobicContact CD1-CG1 3.75Å; Y132-I414 HydrophobicContact CD1-CG2 3.82Å; Y132-I414 HydrophobicContact CE1-CB 4.38Å; Y132-I414 HydrophobicContact CE1-CG1 4.01Å; Y132-I414 HydrophobicContact CE1-CG2 3.83Å; Y132-I414 HydrophobicContact CG-CG2 4.2Å; Y132-E417 WeakPolarHBondContact CE1-OE2 3.46Å; Y132-E417 VanDerWaalsContact OH-CD 3.27Å; Y132-E417 PolarHBondContact OH-OE2 2.99Å; Y132-L418 HydrophobicContact CE2-CD2 4.01Å; Y132-L418 HydrophobicContact CE2-CG 4.46Å |
| 133 | R | 98.8 | Very high | 98.3 | Very high | 56 Ų | 56 | 41.6 Ų | 41.6 | 21% | 0.211 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -72.4 | -41.5 | 178.1 | -175.2 | 61 | -95.4 | 169.2 | -7.5 | 111 | V129 P130 L131 I135 A136 D137 N141 P142 | V129-R133 HydrophobicContact CB-CB 4.2Å; V129-R133 HydrophobicContact CB-CG 4.11Å; V129-R133 HydrophobicContact CG1-CG 4.43Å; V129-R133 HydrophobicContact CG2-CB 4.34Å; V129-R133 HydrophobicContact CG2-CG 4.39Å; P130-R133 WeakPolarHBondContact O-CB 3.25Å; P130-R133 PolarHBondContact O-N 2.96Å; P130-R133 VanDerWaalsContact O-N 3.12Å; L131-R133 PolarHBondContact O-N 2.97Å; R133-I135 VanDerWaalsContact C-N 3.33Å; R133-I135 PolarHBondContact O-N 3.47Å; R133-A136 PolarHBondContact O-N 2.88Å; R133-D137 IonicContact CZ-OD1 2.8Å; R133-D137 VanDerWaalsContact CZ-OD1 3.29Å; R133-D137 IonicContact NE-OD1 2.84Å; R133-D137 PolarHBondContact NE-OD1 2.95Å; R133-D137 IonicContact NH2-OD1 2.54Å; R133-D137 PolarHBondContact NH2-OD1 3.24Å; R133-D137 VanDerWaalsContact O-CG 3.23Å; R133-D137 PolarHBondContact O-N 3.36Å; R133-N141 PolarHBondContact NH2-O 2.96Å; R133-P142 PolarHBondContact NH1-O 2.91Å |
| 134 | H | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.5 | -44.3 | 173 | -177.4 | 64.3 | 0 | 0 | 0 | 112 | C120 A124 V129 P130 L131 D137 L138 | C120-H134 PolarHBondContact O-CD2 3.19Å; C120-H134 VanDerWaalsContact O-CD2 3.23Å; A124-H134 HydrophobicContact CB-CB 3.5Å; V129-H134 HydrophobicContact CG2-CB 3.98Å; P130-H134 PolarHBondContact O-N 3.49Å; L131-H134 WeakPolarHBondContact O-CB 3.49Å; L131-H134 PolarHBondContact O-N 2.88Å; L131-H134 VanDerWaalsContact O-N 3.12Å; H134-D137 WeakPolarHBondContact O-CB 3.48Å; H134-D137 PolarHBondContact O-N 2.83Å; H134-L138 WeakPolarHBondContact O-CG 3.48Å; H134-L138 PolarHBondContact O-N 3.09Å |
| 135 | I | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63 | -44 | 176.2 | -68.8 | 172.8 | 0 | 0 | 0 | 110.8 | L131 R133 D137 L138 A139 L355 F381 D384 L385 L389 | L131-I135 HydrophobicContact CD1-CD1 3.98Å; L131-I135 HydrophobicContact CD1-CG1 4.1Å; L131-I135 HydrophobicContact CD2-CD1 4.49Å; L131-I135 HydrophobicContact CG-CD1 3.86Å; L131-I135 HydrophobicContact CG-CG1 4.39Å; L131-I135 WeakPolarHBondContact O-CG1 3.42Å; L131-I135 PolarHBondContact O-N 3.03Å; R133-I135 VanDerWaalsContact C-N 3.33Å; R133-I135 PolarHBondContact O-N 3.47Å; I135-D137 VanDerWaalsContact C-N 3.31Å; I135-D137 PolarHBondContact O-N 2.81Å; I135-L138 PolarHBondContact O-N 3.29Å; I135-A139 WeakPolarHBondContact O-CB 3.39Å; I135-A139 PolarHBondContact O-N 3.45Å; I135-L355 HydrophobicContact CG2-CD2 4.14Å; I135-F381 HydrophobicContact CD1-CE1 4.38Å; I135-F381 HydrophobicContact CD1-CE2 4.27Å; I135-F381 HydrophobicContact CD1-CZ 3.95Å; I135-D384 HydrophobicContact CD1-CB 4.24Å; I135-L385 HydrophobicContact CD1-CB 4.3Å; I135-L385 HydrophobicContact CD1-CD1 4.25Å; I135-L385 HydrophobicContact CG2-CD1 3.93Å; I135-L389 HydrophobicContact CG2-CG 4.49Å |
| 136 | A | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.6 | -40.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y132 R133 A139 G140 N141 V144 G388 | Y132-A136 WeakPolarHBondContact O-CB 3.39Å; Y132-A136 PolarHBondContact O-N 2.87Å; R133-A136 PolarHBondContact O-N 2.88Å; A136-A139 CarbonylContact O-C 3.59Å; A136-A139 PolarHBondContact O-N 3.22Å; A136-G140 PolarHBondContact O-N 2.92Å; A136-N141 HydrophobicContact CB-CB 4.22Å; A136-N141 PolarHBondContact O-N 3.35Å; A136-V144 HydrophobicContact CB-CG1 3.84Å; A136-G388 WeakPolarHBondContact CA-O 3.34Å; A136-G388 WeakPolarHBondContact CB-O 3.19Å |
| 137 | D | 98.6 | Very high | 98.3 | Very high | 68 Ų | 68 | 39.4 Ų | 39.4 | 36% | 0.364 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -63 | -42.5 | 174.6 | -61.6 | -11.1 | 0 | 0 | 0 | 112 | K127 R133 H134 I135 A139 G140 | K127-D137 IonicContact NZ-OD2 3.54Å; R133-D137 IonicContact CZ-OD1 2.8Å; R133-D137 VanDerWaalsContact CZ-OD1 3.29Å; R133-D137 IonicContact NE-OD1 2.84Å; R133-D137 PolarHBondContact NE-OD1 2.95Å; R133-D137 IonicContact NH2-OD1 2.54Å; R133-D137 PolarHBondContact NH2-OD1 3.24Å; R133-D137 VanDerWaalsContact O-CG 3.23Å; R133-D137 PolarHBondContact O-N 3.36Å; H134-D137 WeakPolarHBondContact O-CB 3.48Å; H134-D137 PolarHBondContact O-N 2.83Å; I135-D137 VanDerWaalsContact C-N 3.31Å; I135-D137 PolarHBondContact O-N 2.81Å; D137-A139 VanDerWaalsContact C-N 3.29Å; D137-A139 PolarHBondContact O-N 3.23Å; D137-G140 PolarHBondContact O-N 2.74Å |
| 138 | L | 98.6 | Very high | 98.4 | Very high | 55 Ų | 55 | 35.1 Ų | 35.1 | 29% | 0.288 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -64.2 | -35.4 | 176.6 | -69.2 | 173.3 | 0 | 0 | 0 | 111.8 | Q88 H134 I135 G140 L355 | Q88-L138 HydrophobicContact CB-CD1 3.97Å; Q88-L138 HydrophobicContact CB-CD2 3.96Å; Q88-L138 HydrophobicContact CG-CD1 4.09Å; H134-L138 WeakPolarHBondContact O-CG 3.48Å; H134-L138 PolarHBondContact O-N 3.09Å; I135-L138 PolarHBondContact O-N 3.29Å; L138-G140 VanDerWaalsContact C-N 3.34Å; L138-L355 HydrophobicContact CB-CD1 3.67Å; L138-L355 HydrophobicContact CD1-CD1 4.38Å |
| 139 | A | 98.1 | Very high | 98.4 | Very high | 27 Ų | 27 | 32 Ų | 32 | 22% | 0.223 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -79.2 | -15.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | I135 A136 D137 L355 L389 | I135-A139 WeakPolarHBondContact O-CB 3.39Å; I135-A139 PolarHBondContact O-N 3.45Å; A136-A139 CarbonylContact O-C 3.59Å; A136-A139 PolarHBondContact O-N 3.22Å; D137-A139 VanDerWaalsContact C-N 3.29Å; D137-A139 PolarHBondContact O-N 3.23Å; A139-L355 HydrophobicContact CB-CD2 4.36Å; A139-L389 HydrophobicContact CB-CD2 3.94Å |
| 140 | G | 97.9 | Very high | 98.4 | Very high | 59 Ų | 59 | 29.8 Ų | 29.8 | 61% | 0.608 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 78.3 | 22.8 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | A136 D137 L138 | A136-G140 PolarHBondContact O-N 2.92Å; D137-G140 PolarHBondContact O-N 2.74Å; L138-G140 VanDerWaalsContact C-N 3.34Å |
| 141 | N | 97.8 | Very high | 98.4 | Very high | 34 Ų | 34 | 27.9 Ų | 27.9 | 18% | 0.182 | 17% | 0.167 | C | C | . | . | trans | -91.3 | 115.3 | -179.7 | -69.2 | -25.7 | 0 | 0 | 0 | 110.3 | R133 A136 G388 L389 | R133-N141 PolarHBondContact NH2-O 2.96Å; A136-N141 HydrophobicContact CB-CB 4.22Å; A136-N141 PolarHBondContact O-N 3.35Å; N141-G388 PolarHBondContact ND2-O 3.33Å; N141-L389 PolarHBondContact ND2-O 3.41Å | ||
| 142 | P | 96.6 | Very high | 98.4 | Very high | 103 Ų | 103 | 26.7 Ų | 26.7 | 67% | 0.669 | 16% | 0.161 | S | C | * | . | S | Bend | trans | -71 | -41.3 | -180 | 27.1 | -32.8 | 0 | 0 | 0 | 111.9 | R133 | R133-P142 PolarHBondContact NH1-O 2.91Š|
| 143 | D | 95.7 | Very high | 98.4 | Very high | 112 Ų | 112 | 26 Ų | 26 | 60% | 0.599 | 16% | 0.158 | S | C | * | . | S | Bend | trans | -99.9 | 171.4 | 177.3 | -62.4 | -58.6 | 0 | 0 | 0 | 111.2 | C390 | D143-C390 PolarHBondContact O-SG 3.3Š|
| 144 | V | 98.3 | Very high | 98.3 | Very high | 19 Ų | 19 | 23.3 Ų | 23.3 | 12% | 0.115 | 15% | 0.148 | C | C | . | . | trans | -131.7 | 154.1 | 174.9 | -65.8 | 0 | 0 | 0 | 0 | 111 | Y132 A136 V387 C390 L418 | Y132-V144 HydrophobicContact CD2-CG1 4.34Å; A136-V144 HydrophobicContact CB-CG1 3.84Å; V144-V387 HydrophobicContact CB-CG1 3.75Å; V144-V387 HydrophobicContact CG1-CG1 4.29Å; V144-V387 HydrophobicContact CG2-CG1 4.16Å; V144-C390 VanDerWaalsContact CA-SG 3.57Å; V144-L418 HydrophobicContact CG2-CD1 3.8Å; V144-L418 HydrophobicContact CG2-CD2 3.77Å; V144-L418 HydrophobicContact CG2-CG 4.48Å | ||
| 145 | I | 98.7 | Very high | 98.1 | Very high | 13 Ų | 13 | 23.3 Ų | 23.3 | 7% | 0.067 | 15% | 0.148 | C | C | . | . | trans | -133.9 | 140.6 | 178.7 | -137.7 | 173 | 0 | 0 | 0 | 112.5 | V387 C390 R423 A425 P432 | I145-V387 WeakPolarHBondContact O-CA 3.45Å; I145-C390 HydrophobicContact CG2-CB 4.4Å; I145-R423 HydrophobicContact CD1-CB 4.39Å; I145-R423 HydrophobicContact CG1-CB 3.86Å; I145-R423 VanDerWaalsContact CG1-O 3.22Å; I145-R423 WeakPolarHBondContact CG1-O 3.46Å; I145-A425 HydrophobicContact CD1-CB 4.28Å; I145-P432 HydrophobicContact CD1-CB 3.42Å; I145-P432 VanDerWaalsContact CD1-CB 3.42Å; I145-P432 HydrophobicContact CG1-CB 4.48Å; I145-P432 HydrophobicContact CG2-CB 3.89Å; I145-P432 HydrophobicContact CG2-CG 4.05Å | ||
| 146 | L | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 15% | 0.148 | C | C | . | . | B | Isolated β-bridge | trans | -79 | 134.6 | 170.5 | -83.4 | -67.3 | 0 | 0 | 0 | 109.7 | F179 V387 L411 E415 L418 A422 R423 F424 A425 | L146-F179 HydrophobicContact CB-CB 4.2Å; L146-F179 HydrophobicContact CD1-CB 4.21Å; L146-F179 HydrophobicContact CD1-CG 4.26Å; L146-F179 HydrophobicContact CG-CB 4.2Å; L146-V387 HydrophobicContact CD1-CG2 4.1Å; L146-L411 HydrophobicContact CD1-CB 4.43Å; L146-L411 HydrophobicContact CD1-CD2 4.13Å; L146-E415 HydrophobicContact CD1-CB 4.16Å; L146-E415 HydrophobicContact CG-CB 4.17Å; L146-L418 HydrophobicContact CD2-CD1 3.63Å; L146-A422 HydrophobicContact CD2-CB 4.46Å; L146-R423 WeakPolarHBondContact CB-O 3.36Å; L146-R423 PolarHBondContact N-O 2.65Å; L146-F424 HydrophobicContact CB-CD2 4.29Å; L146-A425 PolarHBondContact O-N 3.04Å |
| 147 | P | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 15% | 0.149 | C | C | . | . | P | Polyproline II helix | trans | -82.4 | 157.1 | -175.1 | 35.7 | -38.7 | 0 | 0 | 0 | 112.5 | P149 F179 V386 G392 I394 L411 F424 | P147-P149 WeakPolarHBondContact O-CD 3.16Å; P147-F179 HydrophobicContact CG-CE2 4.47Å; P147-F179 VanDerWaalsContact O-CD2 3.32Å; P147-F179 WeakPolarHBondContact O-CD2 3.32Å; P147-V386 HydrophobicContact CB-CG1 4.38Å; P147-V386 HydrophobicContact CB-CG2 3.71Å; P147-V386 HydrophobicContact CG-CG1 3.74Å; P147-V386 HydrophobicContact CG-CG2 4.03Å; P147-G392 CarbonylContact C-O 3.52Å; P147-G392 VanDerWaalsContact CA-C 3.47Å; P147-G392 WeakPolarHBondContact CA-O 3.41Å; P147-I394 HydrophobicContact CB-CB 4.27Å; P147-I394 HydrophobicContact CB-CG2 3.9Å; P147-I394 HydrophobicContact CG-CB 4.21Å; P147-I394 HydrophobicContact CG-CG2 3.55Å; P147-L411 HydrophobicContact CG-CD1 3.96Å; P147-L411 HydrophobicContact CG-CD2 4.06Å; P147-F424 WeakPolarHBondContact O-CE2 3.43Å |
| 148 | V | 98.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 125.4 | 158.1 | 178.1 | 0 | 0 | 0 | 0 | 108.9 | L172 V174 G392 Q393 I394 F424 A425 G426 F429 | V148-L172 HydrophobicContact CG1-CB 4.01Å; V148-L172 HydrophobicContact CG1-CD2 4.45Å; V148-L172 HydrophobicContact CG1-CG 4.49Å; V148-V174 HydrophobicContact CG1-CG1 4Å; V148-V174 HydrophobicContact CG2-CG1 4.41Å; V148-G392 PolarHBondContact N-O 2.89Å; V148-Q393 WeakPolarHBondContact O-CA 3.19Å; V148-I394 PolarHBondContact O-N 3.23Å; V148-I394 VanDerWaalsContact O-N 3.09Å; V148-F424 HydrophobicContact CB-CZ 4.42Å; V148-F424 HydrophobicContact CG2-CE1 4.33Å; V148-F424 HydrophobicContact CG2-CE2 4.13Å; V148-F424 HydrophobicContact CG2-CZ 3.74Å; V148-A425 HydrophobicContact CG2-CB 4.45Å; V148-G426 VanDerWaalsContact CG2-O 3.27Å; V148-G426 WeakPolarHBondContact CG2-O 3.3Å; V148-F429 HydrophobicContact CB-CB 3.99Å; V148-F429 HydrophobicContact CG2-CB 3.66Å |
| 149 | P | 98.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 130.4 | 173.1 | 30.7 | -33.4 | 0 | 0 | 0 | 111.2 | P147 F151 P173 F179 A182 I394 Y408 | P147-P149 WeakPolarHBondContact O-CD 3.16Å; P149-F151 HydrophobicContact CB-CD1 4.42Å; P149-F151 HydrophobicContact CB-CD2 4.36Å; P149-F151 HydrophobicContact CB-CE1 3.82Å; P149-F151 HydrophobicContact CB-CE2 3.78Å; P149-F151 HydrophobicContact CB-CZ 3.46Å; P149-F151 VanDerWaalsContact CB-CZ 3.46Å; P149-F151 HydrophobicContact CG-CD2 4.34Å; P149-F151 HydrophobicContact CG-CE1 4.21Å; P149-F151 HydrophobicContact CG-CE2 3.43Å; P149-F151 VanDerWaalsContact CG-CE2 3.43Å; P149-F151 HydrophobicContact CG-CZ 3.34Å; P149-P173 HydrophobicContact CG-CG 4.02Å; P149-P173 VanDerWaalsContact O-CD 3.26Å; P149-P173 WeakPolarHBondContact O-CD 3.42Å; P149-F179 HydrophobicContact CB-CE2 4.21Å; P149-F179 HydrophobicContact CG-CE2 4.04Å; P149-A182 HydrophobicContact CG-CB 4.06Å; P149-I394 CarbonylContact C-O 3.07Å; P149-Y408 HydrophobicContact CB-CD1 4.26Å; P149-Y408 HydrophobicContact CB-CE1 3.61Å |
| 150 | A | 98.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 99.3 | 167.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | M170 L172 I394 K395 | A150-M170 HydrophobicContact CB-CB 4.44Å; A150-M170 HydrophobicContact CB-SD 3.82Å; A150-L172 HydrophobicContact CB-CD1 4.01Å; A150-L172 HydrophobicContact CB-CD2 4.18Å; A150-L172 HydrophobicContact CB-CG 3.83Å; A150-I394 PolarHBondContact N-O 2.86Å; A150-K395 HydrophobicContact CB-CB 4.3Å |
| 151 | F | 98.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 114 | -177.1 | -59.1 | -72.7 | 0 | 0 | 0 | 110.4 | P149 V153 M170 I171 P173 M183 G397 P399 Y408 | P149-F151 HydrophobicContact CB-CD1 4.42Å; P149-F151 HydrophobicContact CB-CD2 4.36Å; P149-F151 HydrophobicContact CB-CE1 3.82Å; P149-F151 HydrophobicContact CB-CE2 3.78Å; P149-F151 HydrophobicContact CB-CZ 3.46Å; P149-F151 VanDerWaalsContact CB-CZ 3.46Å; P149-F151 HydrophobicContact CG-CD2 4.34Å; P149-F151 HydrophobicContact CG-CE1 4.21Å; P149-F151 HydrophobicContact CG-CE2 3.43Å; P149-F151 VanDerWaalsContact CG-CE2 3.43Å; P149-F151 HydrophobicContact CG-CZ 3.34Å; F151-V153 HydrophobicContact CB-CG1 4.02Å; F151-V153 WeakPolarHBondContact O-CG1 3.39Å; F151-V153 PolarHBondContact O-N 3.35Å; F151-M170 CarbonylContact O-C 3.54Å; F151-M170 WeakPolarHBondContact O-CA 3.5Å; F151-I171 HydrophobicContact CB-CG1 3.92Å; F151-I171 HydrophobicContact CD2-CG1 4.15Å; F151-I171 PolarHBondContact N-O 2.73Å; F151-I171 PolarHBondContact O-N 3.26Å; F151-P173 HydrophobicContact CE2-CG 4.07Å; F151-M183 HydrophobicContact CE1-CE 4Å; F151-M183 HydrophobicContact CE1-SD 3.63Å; F151-M183 HydrophobicContact CZ-CE 4.18Å; F151-M183 HydrophobicContact CZ-SD 3.48Å; F151-M183 WeakPolarHBondContact CZ-SD 3.22Å; F151-G397 WeakPolarHBondContact CA-O 3.17Å; F151-P399 HydrophobicContact CD1-CB 4.37Å; F151-P399 HydrophobicContact CD1-CG 4.38Å; F151-P399 HydrophobicContact CE1-CB 4.4Å; F151-Y408 HydrophobicContact CD1-CE1 4.08Å; F151-Y408 AromaticContact CD1-CE2 3.75Å; F151-Y408 HydrophobicContact CD1-CE2 3.75Å; F151-Y408 AromaticContact CD1-CZ 3.47Å; F151-Y408 VanDerWaalsContact CD1-CZ 3.47Å; F151-Y408 WeakPolarHBondContact CD1-OH 3.31Å; F151-Y408 HydrophobicContact CE1-CD1 4.03Å; F151-Y408 HydrophobicContact CE1-CD2 4.11Å; F151-Y408 AromaticContact CE1-CE1 3.61Å; F151-Y408 HydrophobicContact CE1-CE1 3.61Å; F151-Y408 AromaticContact CE1-CE2 3.7Å; F151-Y408 HydrophobicContact CE1-CE2 3.7Å; F151-Y408 HydrophobicContact CE1-CG 4.27Å; F151-Y408 AromaticContact CE1-CZ 3.43Å; F151-Y408 VanDerWaalsContact CE1-CZ 3.43Å; F151-Y408 HydrophobicContact CZ-CE1 4.43Å |
| 152 | N | 98.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 111.4 | 170.4 | -178.3 | 12.2 | 0 | 0 | 0 | 110 | I154 N155 E168 M170 E211 A398 | N152-I154 PolarHBondContact OD1-O 3.36Å; N152-N155 PolarHBondContact ND2-OD1 3.16Å; N152-N155 PolarHBondContact OD1-OD1 3.26Å; N152-N155 VanDerWaalsContact OD1-OD1 3.11Å; N152-E168 WeakPolarHBondContact CB-OE2 3.38Å; N152-E168 VanDerWaalsContact CG-OE2 3.3Å; N152-E168 WeakPolarHBondContact ND2-CG 3.38Å; N152-E168 PolarHBondContact ND2-OE2 2.95Å; N152-E168 WeakPolarHBondContact OD1-CB 3.49Å; N152-M170 HydrophobicContact CB-CG 4.16Å; N152-E211 PolarHBondContact ND2-OE2 3.22Å; N152-A398 VanDerWaalsContact O-CA 3.27Å; N152-A398 WeakPolarHBondContact O-CA 3.4Å; N152-A398 WeakPolarHBondContact O-CB 3.37Å; N152-A398 PolarHBondContact O-N 2.9Å |
| 153 | V | 98.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | -18 | -170.9 | -67.2 | 0 | 0 | 0 | 0 | 114.2 | F151 F169 I171 Y190 L193 G213 F214 L228 | F151-V153 HydrophobicContact CB-CG1 4.02Å; F151-V153 WeakPolarHBondContact O-CG1 3.39Å; F151-V153 PolarHBondContact O-N 3.35Å; V153-F169 VanDerWaalsContact CG2-O 3.25Å; V153-F169 WeakPolarHBondContact CG2-O 3.32Å; V153-F169 PolarHBondContact N-O 3.34Å; V153-I171 HydrophobicContact CG1-CD1 4.01Å; V153-I171 HydrophobicContact CG1-CG1 3.91Å; V153-I171 HydrophobicContact CG2-CG1 4.32Å; V153-I171 HydrophobicContact CG2-CG2 4.04Å; V153-Y190 HydrophobicContact CB-CD2 4.17Å; V153-Y190 HydrophobicContact CG1-CD2 3.78Å; V153-L193 HydrophobicContact CB-CD2 3.78Å; V153-L193 HydrophobicContact CG2-CD2 3.91Å; V153-G213 WeakPolarHBondContact O-CA 3.5Å; V153-F214 WeakPolarHBondContact O-CD2 3.33Å; V153-F214 PolarHBondContact O-N 2.85Å; V153-L228 HydrophobicContact CG2-CD1 4.36Å; V153-L228 HydrophobicContact CG2-CD2 3.46Å; V153-L228 VanDerWaalsContact CG2-CD2 3.46Å |
| 154 | I | 98.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 128.7 | 168.5 | -57.8 | 176 | 0 | 0 | 0 | 108.4 | N152 L164 F169 L193 F214 P216 I218 A224 L227 L228 | N152-I154 PolarHBondContact OD1-O 3.36Å; I154-L164 HydrophobicContact CG2-CD2 4.08Å; I154-F169 HydrophobicContact CB-CB 4.17Å; I154-F169 HydrophobicContact CB-CD2 4.37Å; I154-F169 HydrophobicContact CG2-CD2 4.37Å; I154-F169 PolarHBondContact N-O 2.87Å; I154-F169 PolarHBondContact O-N 2.64Å; I154-L193 HydrophobicContact CD1-CD1 4.27Å; I154-L193 HydrophobicContact CD1-CD2 4.31Å; I154-L193 HydrophobicContact CG1-CD2 3.85Å; I154-F214 CarbonylContact C-O 3.59Å; I154-F214 WeakPolarHBondContact CA-O 3.39Å; I154-P216 HydrophobicContact CG2-CG 4.23Å; I154-I218 HydrophobicContact CG2-CD1 4.5Å; I154-A224 HydrophobicContact CD1-CB 4.2Å; I154-A224 HydrophobicContact CG2-CB 4.42Å; I154-L227 HydrophobicContact CD1-CB 4.13Å; I154-L227 HydrophobicContact CD1-CD1 4.34Å; I154-L228 HydrophobicContact CD1-CD2 3.69Å; I154-L228 HydrophobicContact CD1-CG 3.99Å; I154-L228 HydrophobicContact CG1-CD2 4.02Å |
| 155 | N | 93.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 138 | 179.6 | -64.7 | 20.4 | 0 | 0 | 0 | 110.4 | N152 H159 A160 N162 Q167 G213 F214 | N152-N155 PolarHBondContact ND2-OD1 3.16Å; N152-N155 PolarHBondContact OD1-OD1 3.26Å; N152-N155 VanDerWaalsContact OD1-OD1 3.11Å; N155-H159 HydrophobicContact CB-CB 4.34Å; N155-A160 HydrophobicContact CB-CB 4.12Å; N155-A160 WeakPolarHBondContact O-CB 3.15Å; N155-N162 PolarHBondContact O-ND2 2.82Å; N155-Q167 WeakPolarHBondContact CA-O 3.36Å; N155-G213 VanDerWaalsContact OD1-CA 3.32Å; N155-G213 WeakPolarHBondContact OD1-CA 3.36Å; N155-F214 PolarHBondContact N-O 2.89Å |
| 156 | G | 92.7 | Very high | 94 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 9% | 0.094 | C | C | . | . | trans | -133.5 | -146.4 | 167.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | S158 H159 A160 L164 M166 Q167 | G156-S158 PolarHBondContact O-N 2.92Å; G156-H159 PolarHBondContact O-N 3.06Å; G156-H159 VanDerWaalsContact O-N 3.1Å; G156-A160 PolarHBondContact O-N 2.78Å; G156-L164 CarbonylContact C-O 3.48Å; G156-M166 CarbonylContact C-O 3.59Å; G156-M166 WeakPolarHBondContact CA-O 3.17Å; G156-Q167 PolarHBondContact N-O 3.07Å | ||
| 157 | G | 91.6 | Very high | 93.8 | Very high | 2 Ų | 2 | 13.2 Ų | 13.2 | 2% | 0.021 | 9% | 0.094 | C | C | . | . | G | 310 helix | trans | 50.2 | -137.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113 | H159 L164 A165 M166 K263 | G157-H159 VanDerWaalsContact C-N 3.26Å; G157-H159 PolarHBondContact O-N 3.1Å; G157-L164 PolarHBondContact N-O 2.82Å; G157-A165 WeakPolarHBondContact CA-O 3.48Å; G157-A165 PolarHBondContact N-O 2.98Å; G157-M166 PolarHBondContact N-O 2.91Å; G157-K263 PolarHBondContact O-NZ 2.95Å |
| 158 | S | 88.1 | Confident | 93.8 | Very high | 57 Ų | 57 | 13.3 Ų | 13.3 | 40% | 0.399 | 10% | 0.095 | S | C | . | . | G | 310 helix | trans | -77 | -8.2 | 178.2 | -64.6 | 0 | 0 | 0 | 0 | 113.5 | G156 E251 | G156-S158 PolarHBondContact O-N 2.92Å; S158-E251 PolarHBondContact OG-OE2 2.97Å |
| 159 | H | 83.1 | Confident | 93.8 | Very high | 12 Ų | 12 | 13.3 Ų | 13.3 | 6% | 0.056 | 10% | 0.095 | C | C | . | . | G | 310 helix | trans | -88.6 | -6.1 | 179 | -69.4 | 175.4 | 0 | 0 | 0 | 114 | N155 G156 G157 Q167 E168 E211 | N155-H159 HydrophobicContact CB-CB 4.34Å; G156-H159 PolarHBondContact O-N 3.06Å; G156-H159 VanDerWaalsContact O-N 3.1Å; G157-H159 VanDerWaalsContact C-N 3.26Å; G157-H159 PolarHBondContact O-N 3.1Å; H159-Q167 HydrophobicContact CB-CG 4.29Å; H159-Q167 WeakPolarHBondContact ND1-CG 3.37Å; H159-E168 IonicContact CE1-OE1 3.02Å; H159-E168 IonicContact ND1-OE1 3.73Å; H159-E211 IonicContact CE1-OE1 3.74Å; H159-E211 PolarHBondContact CE1-OE1 2.72Å; H159-E211 VanDerWaalsContact CE1-OE1 3.23Å; H159-E211 IonicContact ND1-OE1 2.84Å |
| 160 | A | 84.1 | Confident | 93.8 | Very high | 14 Ų | 14 | 13.4 Ų | 13.4 | 12% | 0.116 | 10% | 0.095 | C | C | . | . | trans | -148.8 | 141.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | N155 G156 N162 A215 K263 | N155-A160 HydrophobicContact CB-CB 4.12Å; N155-A160 WeakPolarHBondContact O-CB 3.15Å; G156-A160 PolarHBondContact O-N 2.78Å; A160-N162 PolarHBondContact O-N 2.95Å; A160-N162 VanDerWaalsContact O-N 3.12Å; A160-A215 HydrophobicContact CB-CB 3.74Å; A160-K263 PolarHBondContact O-NZ 2.75Å; A160-K263 VanDerWaalsContact O-NZ 3.15Å | ||
| 161 | G | 83.9 | Confident | 93.8 | Very high | 91 Ų | 91 | 13.4 Ų | 13.4 | 94% | 0.938 | 10% | 0.095 | S | C | * | . | S | Bend | trans | -76.1 | 14.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 162 | N | 89.8 | Confident | 93.8 | Very high | 8 Ų | 8 | 13.5 Ų | 13.5 | 4% | 0.043 | 10% | 0.096 | C | C | . | . | S | Bend | trans | -82.7 | -173.7 | 173.1 | 60.8 | 16.7 | 0 | 0 | 0 | 111 | N155 A160 P216 K263 | N155-N162 PolarHBondContact O-ND2 2.82Å; A160-N162 PolarHBondContact O-N 2.95Å; A160-N162 VanDerWaalsContact O-N 3.12Å; N162-P216 VanDerWaalsContact CB-O 3.24Å; N162-P216 WeakPolarHBondContact CB-O 3.47Å; N162-P216 PolarHBondContact ND2-O 2.86Å; N162-K263 VanDerWaalsContact O-CD 3.3Å; N162-K263 WeakPolarHBondContact O-CD 3.33Å; N162-K263 WeakPolarHBondContact O-CE 3.12Å; N162-K263 PolarHBondContact O-NZ 2.66Å; N162-K263 PolarHBondContact OD1-NZ 2.69Å |
| 163 | K | 92.1 | Very high | 93.8 | Very high | 90 Ų | 90 | 13.5 Ų | 13.5 | 39% | 0.391 | 10% | 0.096 | S | C | . | . | S | Bend | trans | -91.5 | -19.5 | 176.9 | -65.6 | -163.1 | 170.6 | -153.6 | 0 | 114.9 | A165 I218 L219 K263 S264 | K163-A165 PolarHBondContact O-N 3.43Å; K163-I218 CarbonylContact C-O 3.58Å; K163-I218 PolarHBondContact N-O 2.86Å; K163-L219 HydrophobicContact CB-CB 4.01Å; K163-L219 HydrophobicContact CB-CD1 3.68Å; K163-L219 HydrophobicContact CB-CG 4.44Å; K163-L219 HydrophobicContact CD-CD1 4.29Å; K163-K263 WeakPolarHBondContact O-CE 3.43Å; K163-S264 PolarHBondContact NZ-OG 2.68Å; K163-S264 VanDerWaalsContact NZ-OG 3.16Å |
| 164 | L | 94.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 10% | 0.1 | C | C | . | . | trans | -49.5 | 119.4 | -179 | -172 | 64.4 | 0 | 0 | 0 | 111.5 | I154 G156 G157 F169 I218 N221 A224 K263 | I154-L164 HydrophobicContact CG2-CD2 4.08Å; G156-L164 CarbonylContact C-O 3.48Å; G157-L164 PolarHBondContact N-O 2.82Å; L164-F169 HydrophobicContact CD1-CE2 4.11Å; L164-F169 HydrophobicContact CD1-CZ 4.14Å; L164-F169 HydrophobicContact CD2-CD2 4.09Å; L164-F169 HydrophobicContact CD2-CE2 3.49Å; L164-F169 VanDerWaalsContact CD2-CE2 3.49Å; L164-F169 HydrophobicContact CD2-CZ 4.31Å; L164-F169 HydrophobicContact CG-CE2 3.99Å; L164-F169 HydrophobicContact CG-CZ 4.5Å; L164-I218 HydrophobicContact CB-CG1 4.23Å; L164-I218 WeakPolarHBondContact CB-O 3.4Å; L164-I218 HydrophobicContact CD1-CD1 4.25Å; L164-I218 HydrophobicContact CD1-CG1 4.2Å; L164-I218 HydrophobicContact CD2-CD1 3.95Å; L164-I218 HydrophobicContact CD2-CG1 4.08Å; L164-I218 HydrophobicContact CG-CG1 4.43Å; L164-I218 PolarHBondContact N-O 3.07Å; L164-N221 HydrophobicContact CD1-CB 4.32Å; L164-N221 WeakPolarHBondContact CD1-OD1 3.16Å; L164-A224 HydrophobicContact CD2-CB 4.35Å; L164-K263 WeakPolarHBondContact O-CE 3.3Å; L164-K263 PolarHBondContact O-NZ 3.17Å | ||
| 165 | A | 95.4 | Very high | 93.9 | Very high | 1 Ų | 1 | 15.3 Ų | 15.3 | 1% | 0.008 | 11% | 0.112 | C | C | . | . | trans | -76.4 | -41.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | G157 K163 F252 L260 F262 | G157-A165 WeakPolarHBondContact CA-O 3.48Å; G157-A165 PolarHBondContact N-O 2.98Å; K163-A165 PolarHBondContact O-N 3.43Å; A165-F252 HydrophobicContact CB-CD1 4.3Å; A165-F252 HydrophobicContact CB-CE1 4.38Å; A165-L260 HydrophobicContact CB-CB 4.37Å; A165-L260 HydrophobicContact CB-CD2 4.26Å; A165-L260 VanDerWaalsContact CB-O 3.23Å; A165-L260 WeakPolarHBondContact CB-O 3.38Å; A165-F262 HydrophobicContact CB-CD1 4.02Å; A165-F262 HydrophobicContact CB-CE1 4.09Å | ||
| 166 | M | 97.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 12% | 0.115 | C | C | . | . | S | Bend | trans | -69.3 | 137.2 | -180 | -63.2 | 177.9 | -171.7 | 0 | 0 | 110.6 | G156 G157 F169 N221 M245 V247 L260 L280 Y281 F284 | G156-M166 CarbonylContact C-O 3.59Å; G156-M166 WeakPolarHBondContact CA-O 3.17Å; G157-M166 PolarHBondContact N-O 2.91Å; M166-F169 HydrophobicContact CB-CE2 3.89Å; M166-F169 HydrophobicContact CB-CZ 3.81Å; M166-F169 HydrophobicContact SD-CZ 4.28Å; M166-N221 WeakPolarHBondContact CB-OD1 3.33Å; M166-N221 HydrophobicContact CE-CB 4.03Å; M166-N221 HydrophobicContact CG-CB 4.42Å; M166-N221 WeakPolarHBondContact CG-OD1 2.92Å; M166-N221 PolarHBondContact N-OD1 2.63Å; M166-N221 HydrophobicContact SD-CB 3.7Å; M166-N221 VanDerWaalsContact SD-CG 3.51Å; M166-M245 HydrophobicContact SD-CE 3.27Å; M166-M245 WeakPolarHBondContact SD-CE 3.37Å; M166-V247 HydrophobicContact CE-CG1 4.44Å; M166-V247 HydrophobicContact CG-CB 4.4Å; M166-V247 HydrophobicContact CG-CG1 3.84Å; M166-V247 HydrophobicContact CG-CG2 4.43Å; M166-V247 HydrophobicContact SD-CG1 4.47Å; M166-V247 HydrophobicContact SD-CG2 4.3Å; M166-L260 HydrophobicContact CE-CD2 4.46Å; M166-L280 HydrophobicContact CE-CD2 4.25Å; M166-Y281 HydrophobicContact CE-CD1 4.29Å; M166-Y281 HydrophobicContact CE-CE1 3.53Å; M166-Y281 HydrophobicContact SD-CE1 4.37Å; M166-F284 HydrophobicContact CE-CE2 3.84Å; M166-F284 HydrophobicContact SD-CE2 4.07Å |
| 167 | Q | 95.6 | Very high | 94.4 | Very high | 2 Ų | 2 | 20 Ų | 20 | 1% | 0.009 | 15% | 0.145 | C | C | . | . | trans | -74.7 | -41.1 | -166.3 | -170.1 | 162.8 | -99.5 | 0 | 0 | 113.3 | N155 G156 H159 D246 V247 A248 | N155-Q167 WeakPolarHBondContact CA-O 3.36Å; G156-Q167 PolarHBondContact N-O 3.07Å; H159-Q167 HydrophobicContact CB-CG 4.29Å; H159-Q167 WeakPolarHBondContact ND1-CG 3.37Å; Q167-D246 PolarHBondContact N-O 3.16Å; Q167-D246 PolarHBondContact NE2-OD2 2.93Å; Q167-V247 PolarHBondContact N-O 3.41Å; Q167-A248 HydrophobicContact CB-CB 3.78Å; Q167-A248 HydrophobicContact CG-CB 4.4Å | ||
| 168 | E | 97.9 | Very high | 94.7 | Very high | 3 Ų | 3 | 22.8 Ų | 22.8 | 1% | 0.014 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 141.9 | -173.3 | -46.8 | -176.3 | -154.8 | 0 | 0 | 113.8 | N152 H159 M245 D246 K395 | N152-E168 WeakPolarHBondContact CB-OE2 3.38Å; N152-E168 VanDerWaalsContact CG-OE2 3.3Å; N152-E168 WeakPolarHBondContact ND2-CG 3.38Å; N152-E168 PolarHBondContact ND2-OE2 2.95Å; N152-E168 WeakPolarHBondContact OD1-CB 3.49Å; H159-E168 IonicContact CE1-OE1 3.02Å; H159-E168 IonicContact ND1-OE1 3.73Å; E168-M245 WeakPolarHBondContact O-CA 3.26Å; E168-D246 HydrophobicContact CB-CB 3.93Å; E168-D246 HydrophobicContact CG-CB 4.03Å; E168-D246 PolarHBondContact N-O 2.96Å; E168-D246 PolarHBondContact O-N 2.55Å; E168-K395 WeakPolarHBondContact OE1-CE 3.44Å; E168-K395 IonicContact OE1-NZ 3.56Å; E168-K395 PolarHBondContact OE1-NZ 2.82Å; E168-K395 WeakPolarHBondContact OE2-CE 3.42Å; E168-K395 IonicContact OE2-NZ 3.9Å; E168-K395 PolarHBondContact OE2-NZ 2.95Å; E168-K395 VanDerWaalsContact OE2-NZ 3.08Å |
| 169 | F | 98.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 115.6 | 170.3 | -59.4 | -105.9 | 0 | 0 | 0 | 108.4 | V153 I154 L164 M166 N221 A224 L225 L228 M245 | V153-F169 VanDerWaalsContact CG2-O 3.25Å; V153-F169 WeakPolarHBondContact CG2-O 3.32Å; V153-F169 PolarHBondContact N-O 3.34Å; I154-F169 HydrophobicContact CB-CB 4.17Å; I154-F169 HydrophobicContact CB-CD2 4.37Å; I154-F169 HydrophobicContact CG2-CD2 4.37Å; I154-F169 PolarHBondContact N-O 2.87Å; I154-F169 PolarHBondContact O-N 2.64Å; L164-F169 HydrophobicContact CD1-CE2 4.11Å; L164-F169 HydrophobicContact CD1-CZ 4.14Å; L164-F169 HydrophobicContact CD2-CD2 4.09Å; L164-F169 HydrophobicContact CD2-CE2 3.49Å; L164-F169 VanDerWaalsContact CD2-CE2 3.49Å; L164-F169 HydrophobicContact CD2-CZ 4.31Å; L164-F169 HydrophobicContact CG-CE2 3.99Å; L164-F169 HydrophobicContact CG-CZ 4.5Å; M166-F169 HydrophobicContact CB-CE2 3.89Å; M166-F169 HydrophobicContact CB-CZ 3.81Å; M166-F169 HydrophobicContact SD-CZ 4.28Å; F169-N221 HydrophobicContact CZ-CB 4.06Å; F169-A224 HydrophobicContact CD1-CB 3.77Å; F169-A224 HydrophobicContact CD2-CB 3.95Å; F169-A224 HydrophobicContact CE1-CB 3.63Å; F169-A224 HydrophobicContact CE2-CB 3.88Å; F169-A224 HydrophobicContact CG-CB 3.93Å; F169-A224 HydrophobicContact CZ-CB 3.7Å; F169-L225 HydrophobicContact CD1-CD2 3.84Å; F169-L225 HydrophobicContact CD1-CG 4.15Å; F169-L225 HydrophobicContact CE1-CD2 4.17Å; F169-L225 HydrophobicContact CE1-CG 4.04Å; F169-L228 HydrophobicContact CB-CD1 3.77Å; F169-M245 HydrophobicContact CD1-CE 4.14Å; F169-M245 HydrophobicContact CD1-CG 4.25Å; F169-M245 HydrophobicContact CE1-CE 3.55Å; F169-M245 HydrophobicContact CE1-SD 4.41Å; F169-M245 HydrophobicContact CZ-CE 4.12Å |
| 170 | M | 98.8 | Very high | 96 | Very high | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 148 | -171 | -64.5 | 173.6 | -88.5 | 0 | 0 | 112.1 | A150 F151 N152 L172 I243 G244 D246 K395 | A150-M170 HydrophobicContact CB-CB 4.44Å; A150-M170 HydrophobicContact CB-SD 3.82Å; F151-M170 CarbonylContact O-C 3.54Å; F151-M170 WeakPolarHBondContact O-CA 3.5Å; N152-M170 HydrophobicContact CB-CG 4.16Å; M170-L172 HydrophobicContact CB-CD1 4.16Å; M170-I243 WeakPolarHBondContact O-CA 3.42Å; M170-G244 WeakPolarHBondContact CA-O 3.04Å; M170-G244 PolarHBondContact N-O 3.4Å; M170-G244 PolarHBondContact O-N 3.17Å; M170-D246 HydrophobicContact CE-CB 4.2Å; M170-K395 HydrophobicContact CE-CD 4.27Å; M170-K395 HydrophobicContact SD-CB 4.5Å; M170-K395 HydrophobicContact SD-CD 3.74Å; M170-K395 HydrophobicContact SD-CG 3.8Å |
| 171 | I | 98.9 | Very high | 96.7 | Very high | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 136.4 | 167.3 | 59 | 173 | 0 | 0 | 0 | 110.4 | F151 V153 V189 L228 I232 I241 | F151-I171 HydrophobicContact CB-CG1 3.92Å; F151-I171 HydrophobicContact CD2-CG1 4.15Å; F151-I171 PolarHBondContact N-O 2.73Å; F151-I171 PolarHBondContact O-N 3.26Å; V153-I171 HydrophobicContact CG1-CD1 4.01Å; V153-I171 HydrophobicContact CG1-CG1 3.91Å; V153-I171 HydrophobicContact CG2-CG1 4.32Å; V153-I171 HydrophobicContact CG2-CG2 4.04Å; I171-V189 HydrophobicContact CD1-CB 3.66Å; I171-V189 HydrophobicContact CD1-CG1 3.56Å; I171-L228 HydrophobicContact CG2-CD1 4.27Å; I171-L228 HydrophobicContact CG2-CD2 4.4Å; I171-I232 HydrophobicContact CG2-CD1 4.2Å; I171-I241 HydrophobicContact CB-CG2 3.78Å; I171-I241 HydrophobicContact CG2-CG2 4.08Å |
| 172 | L | 98.9 | Very high | 97.4 | Very high | 1 Ų | 1 | 22.4 Ų | 22.4 | 1% | 0.005 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 109.4 | -179.6 | -70 | 81.7 | 0 | 0 | 0 | 109.1 | V148 A150 M170 V174 I241 V242 F429 | V148-L172 HydrophobicContact CG1-CB 4.01Å; V148-L172 HydrophobicContact CG1-CD2 4.45Å; V148-L172 HydrophobicContact CG1-CG 4.49Å; A150-L172 HydrophobicContact CB-CD1 4.01Å; A150-L172 HydrophobicContact CB-CD2 4.18Å; A150-L172 HydrophobicContact CB-CG 3.83Å; M170-L172 HydrophobicContact CB-CD1 4.16Å; L172-V174 HydrophobicContact CB-CG1 4.15Å; L172-V174 PolarHBondContact O-N 3.42Å; L172-I241 WeakPolarHBondContact O-CA 3.14Å; L172-V242 HydrophobicContact CB-CG2 3.8Å; L172-V242 PolarHBondContact N-O 2.81Å; L172-V242 PolarHBondContact O-N 3.17Å; L172-F429 HydrophobicContact CD2-CE2 4.38Å |
| 173 | P | 98.8 | Very high | 97.8 | Very high | 1 Ų | 1 | 22.9 Ų | 22.9 | 1% | 0.006 | 13% | 0.125 | C | C | . | . | trans | -79.5 | 61.6 | 180 | 35.8 | -38.5 | 0 | 0 | 0 | 111.9 | P149 F151 G175 A176 A182 I185 K240 I241 | P149-P173 HydrophobicContact CG-CG 4.02Å; P149-P173 VanDerWaalsContact O-CD 3.26Å; P149-P173 WeakPolarHBondContact O-CD 3.42Å; F151-P173 HydrophobicContact CE2-CG 4.07Å; P173-G175 PolarHBondContact O-N 3.34Å; P173-G175 VanDerWaalsContact O-N 3.16Å; P173-A176 HydrophobicContact CB-CB 4.45Å; P173-A176 WeakPolarHBondContact O-CB 3.35Å; P173-A176 PolarHBondContact O-N 2.9Å; P173-A176 VanDerWaalsContact O-N 3.12Å; P173-A182 HydrophobicContact CB-CB 4.24Å; P173-A182 HydrophobicContact CG-CB 3.54Å; P173-A182 WeakPolarHBondContact CG-O 3.48Å; P173-I185 HydrophobicContact CB-CB 4.2Å; P173-I185 HydrophobicContact CB-CG2 3.79Å; P173-K240 CarbonylContact C-O 3.53Å; P173-K240 VanDerWaalsContact C-O 3.32Å; P173-K240 WeakPolarHBondContact CA-O 3.4Å; P173-I241 HydrophobicContact CB-CG1 4.32Å | ||
| 174 | V | 98.8 | Very high | 98.2 | Very high | 15 Ų | 15 | 23.5 Ų | 23.5 | 9% | 0.091 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -19.8 | -177.6 | -63.6 | 0 | 0 | 0 | 0 | 114.1 | V148 L172 K240 V242 G426 K427 F429 | V148-V174 HydrophobicContact CG1-CG1 4Å; V148-V174 HydrophobicContact CG2-CG1 4.41Å; L172-V174 HydrophobicContact CB-CG1 4.15Å; L172-V174 PolarHBondContact O-N 3.42Å; V174-K240 PolarHBondContact N-O 2.79Å; V174-K240 VanDerWaalsContact N-O 3.16Å; V174-V242 HydrophobicContact CB-CG2 4.33Å; V174-V242 HydrophobicContact CG1-CG2 3.61Å; V174-V242 HydrophobicContact CG2-CB 4.41Å; V174-V242 HydrophobicContact CG2-CG1 3.87Å; V174-V242 HydrophobicContact CG2-CG2 3.72Å; V174-G426 CarbonylContact O-C 3.52Å; V174-G426 VanDerWaalsContact O-C 3.3Å; V174-G426 WeakPolarHBondContact O-CA 3.37Å; V174-K427 PolarHBondContact O-N 3.05Å; V174-F429 HydrophobicContact CG1-CD1 3.91Å; V174-F429 HydrophobicContact CG1-CE1 4.18Å |
| 175 | G | 98.7 | Very high | 98.4 | Very high | 23 Ų | 23 | 23.5 Ų | 23.5 | 24% | 0.237 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | 7.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | P173 K240 | P173-G175 PolarHBondContact O-N 3.34Å; P173-G175 VanDerWaalsContact O-N 3.16Å; G175-K240 PolarHBondContact N-O 3.39Å |
| 176 | A | 98.8 | Very high | 98.5 | Very high | 9 Ų | 9 | 23.5 Ų | 23.5 | 7% | 0.074 | 13% | 0.125 | C | C | . | . | trans | -68.4 | 152.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | P173 D181 A182 I185 F424 | P173-A176 HydrophobicContact CB-CB 4.45Å; P173-A176 WeakPolarHBondContact O-CB 3.35Å; P173-A176 PolarHBondContact O-N 2.9Å; P173-A176 VanDerWaalsContact O-N 3.12Å; A176-D181 HydrophobicContact CB-CB 4.21Å; A176-A182 HydrophobicContact CB-CB 3.69Å; A176-I185 HydrophobicContact CB-CD1 4Å; A176-F424 HydrophobicContact CB-CE1 3.92Å; A176-F424 HydrophobicContact CB-CZ 4.24Å; A176-F424 WeakPolarHBondContact O-CE1 3.32Å | ||
| 177 | S | 98.4 | Very high | 98.6 | Very high | 90 Ų | 90 | 24.8 Ų | 24.8 | 63% | 0.629 | 14% | 0.135 | S | C | * | . | S | Bend | trans | -78.2 | -27.1 | 179.4 | 55.3 | 0 | 0 | 0 | 0 | 113.7 | D181 | S177-D181 PolarHBondContact N-OD2 2.9Š|
| 178 | N | 98.8 | Very high | 98.8 | Very high | 59 Ų | 59 | 27.8 Ų | 27.8 | 32% | 0.316 | 15% | 0.149 | S | C | . | . | S | Bend | trans | -160.1 | 176 | -177.1 | 58.7 | 39.5 | 0 | 0 | 0 | 109.5 | K180 D181 A182 E415 | N178-K180 PolarHBondContact OD1-N 3.16Å; N178-D181 PolarHBondContact O-N 3.47Å; N178-D181 WeakPolarHBondContact OD1-CB 3.19Å; N178-D181 PolarHBondContact OD1-N 2.87Å; N178-A182 PolarHBondContact O-N 2.82Å; N178-E415 WeakPolarHBondContact CB-OE1 3.22Å |
| 179 | F | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -66.2 | -39.5 | -176.7 | -175.3 | -93.7 | 0 | 0 | 0 | 112.2 | L146 P147 P149 D181 A182 M183 Y408 L411 L412 E415 F424 | L146-F179 HydrophobicContact CB-CB 4.2Å; L146-F179 HydrophobicContact CD1-CB 4.21Å; L146-F179 HydrophobicContact CD1-CG 4.26Å; L146-F179 HydrophobicContact CG-CB 4.2Å; P147-F179 HydrophobicContact CG-CE2 4.47Å; P147-F179 VanDerWaalsContact O-CD2 3.32Å; P147-F179 WeakPolarHBondContact O-CD2 3.32Å; P149-F179 HydrophobicContact CB-CE2 4.21Å; P149-F179 HydrophobicContact CG-CE2 4.04Å; F179-D181 VanDerWaalsContact C-N 3.34Å; F179-D181 PolarHBondContact O-N 3.12Å; F179-A182 WeakPolarHBondContact O-CB 3.48Å; F179-A182 PolarHBondContact O-N 3.44Å; F179-A182 VanDerWaalsContact O-N 3.17Å; F179-M183 HydrophobicContact CD1-CG 3.99Å; F179-M183 HydrophobicContact CE1-CG 3.36Å; F179-M183 HydrophobicContact CE1-SD 4Å; F179-M183 HydrophobicContact CZ-CG 3.69Å; F179-M183 HydrophobicContact CZ-SD 3.76Å; F179-M183 PolarHBondContact O-N 3.17Å; F179-Y408 WeakPolarHBondContact CE1-O 3.35Å; F179-Y408 HydrophobicContact CZ-CD1 4.08Å; F179-L411 HydrophobicContact CD1-CB 3.79Å; F179-L411 HydrophobicContact CD2-CB 4.41Å; F179-L411 HydrophobicContact CE1-CB 3.24Å; F179-L411 HydrophobicContact CE1-CD1 4.26Å; F179-L411 HydrophobicContact CE1-CG 4.37Å; F179-L411 HydrophobicContact CE2-CB 3.94Å; F179-L411 HydrophobicContact CE2-CD1 3.58Å; F179-L411 HydrophobicContact CE2-CG 4.33Å; F179-L411 HydrophobicContact CG-CB 4.35Å; F179-L411 HydrophobicContact CZ-CB 3.33Å; F179-L411 HydrophobicContact CZ-CD1 3.42Å; F179-L411 VanDerWaalsContact CZ-CD1 3.42Å; F179-L411 HydrophobicContact CZ-CG 4Å; F179-L412 HydrophobicContact CD1-CD2 3.9Å; F179-L412 HydrophobicContact CD1-CG 4.22Å; F179-L412 HydrophobicContact CE1-CD2 4.13Å; F179-L412 HydrophobicContact CE1-CG 4.04Å; F179-E415 WeakPolarHBondContact CA-OE1 3.44Å; F179-E415 VanDerWaalsContact CB-OE1 3.25Å; F179-E415 WeakPolarHBondContact CB-OE1 3.26Å; F179-E415 PolarHBondContact N-OE1 3.12Å; F179-F424 HydrophobicContact CB-CD2 4.18Å; F179-F424 HydrophobicContact CB-CE2 4.47Å; F179-F424 HydrophobicContact CD2-CE2 4.35Å |
| 180 | K | 98.9 | Very high | 98.8 | Very high | 146 Ų | 146 | 28.1 Ų | 28.1 | 64% | 0.635 | 15% | 0.151 | S | C | * | . | H | α-helix | trans | -58.1 | -43.1 | 173.7 | -179.4 | 175 | -179.6 | 174.8 | 0 | 113.1 | N178 M183 R184 L412 E415 | N178-K180 PolarHBondContact OD1-N 3.16Å; K180-M183 PolarHBondContact O-N 2.97Å; K180-R184 PolarHBondContact O-N 3.11Å; K180-R184 VanDerWaalsContact O-N 3.11Å; K180-L412 HydrophobicContact CB-CD2 3.83Å; K180-L412 HydrophobicContact CG-CD2 4.14Å; K180-E415 VanDerWaalsContact CB-OE2 3.22Å; K180-E415 WeakPolarHBondContact CB-OE2 3.41Å; K180-E415 PolarHBondContact N-OE2 2.77Å |
| 181 | D | 98.9 | Very high | 98.8 | Very high | 20 Ų | 20 | 33.2 Ų | 33.2 | 11% | 0.107 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -67.9 | -38.9 | 175.3 | -168.2 | 46.5 | 0 | 0 | 0 | 111.1 | A176 S177 N178 F179 M183 R184 I185 K240 | A176-D181 HydrophobicContact CB-CB 4.21Å; S177-D181 PolarHBondContact N-OD2 2.9Å; N178-D181 PolarHBondContact O-N 3.47Å; N178-D181 WeakPolarHBondContact OD1-CB 3.19Å; N178-D181 PolarHBondContact OD1-N 2.87Å; F179-D181 VanDerWaalsContact C-N 3.34Å; F179-D181 PolarHBondContact O-N 3.12Å; D181-M183 PolarHBondContact O-N 3.38Å; D181-R184 PolarHBondContact O-N 3.23Å; D181-R184 IonicContact OD1-CZ 2.64Å; D181-R184 IonicContact OD1-NE 2.66Å; D181-R184 PolarHBondContact OD1-NE 3.13Å; D181-R184 IonicContact OD1-NH2 3.85Å; D181-R184 PolarHBondContact OD1-NH2 3.48Å; D181-I185 WeakPolarHBondContact O-CB 3.45Å; D181-I185 VanDerWaalsContact O-CG1 3.26Å; D181-I185 WeakPolarHBondContact O-CG1 3.42Å; D181-I185 PolarHBondContact O-N 2.96Å; D181-I185 WeakPolarHBondContact OD2-CD1 3.32Å; D181-K240 IonicContact OD2-NZ 3.63Å |
| 182 | A | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -58.9 | -45.1 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | P149 P173 A176 N178 F179 I185 G186 F424 | P149-A182 HydrophobicContact CG-CB 4.06Å; P173-A182 HydrophobicContact CB-CB 4.24Å; P173-A182 HydrophobicContact CG-CB 3.54Å; P173-A182 WeakPolarHBondContact CG-O 3.48Å; A176-A182 HydrophobicContact CB-CB 3.69Å; N178-A182 PolarHBondContact O-N 2.82Å; F179-A182 WeakPolarHBondContact O-CB 3.48Å; F179-A182 PolarHBondContact O-N 3.44Å; F179-A182 VanDerWaalsContact O-N 3.17Å; A182-I185 PolarHBondContact O-N 3.44Å; A182-G186 PolarHBondContact O-N 2.92Å; A182-F424 HydrophobicContact CB-CE2 4.03Å; A182-F424 HydrophobicContact CB-CZ 3.74Å |
| 183 | M | 98.9 | Very high | 98.8 | Very high | 18 Ų | 18 | 35.2 Ų | 35.2 | 9% | 0.089 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.5 | -45.9 | 175.1 | -79 | -56.6 | -52.4 | 0 | 0 | 112.4 | F151 F179 K180 D181 G186 A187 Y408 L412 | F151-M183 HydrophobicContact CE1-CE 4Å; F151-M183 HydrophobicContact CE1-SD 3.63Å; F151-M183 HydrophobicContact CZ-CE 4.18Å; F151-M183 HydrophobicContact CZ-SD 3.48Å; F151-M183 WeakPolarHBondContact CZ-SD 3.22Å; F179-M183 HydrophobicContact CD1-CG 3.99Å; F179-M183 HydrophobicContact CE1-CG 3.36Å; F179-M183 HydrophobicContact CE1-SD 4Å; F179-M183 HydrophobicContact CZ-CG 3.69Å; F179-M183 HydrophobicContact CZ-SD 3.76Å; F179-M183 PolarHBondContact O-N 3.17Å; K180-M183 PolarHBondContact O-N 2.97Å; D181-M183 PolarHBondContact O-N 3.38Å; M183-G186 PolarHBondContact O-N 3.24Å; M183-A187 WeakPolarHBondContact O-CB 3.49Å; M183-A187 PolarHBondContact O-N 3.03Å; M183-Y408 HydrophobicContact CE-CD1 4.48Å; M183-Y408 HydrophobicContact CE-CD2 4.24Å; M183-Y408 HydrophobicContact CE-CG 3.88Å; M183-Y408 VanDerWaalsContact SD-CB 3.59Å; M183-Y408 HydrophobicContact SD-CD1 3.67Å; M183-Y408 HydrophobicContact SD-CD2 4.44Å; M183-Y408 HydrophobicContact SD-CE1 4.46Å; M183-Y408 HydrophobicContact SD-CG 3.65Å; M183-L412 HydrophobicContact CB-CD2 4.4Å; M183-L412 HydrophobicContact CG-CD2 4.12Å; M183-L412 HydrophobicContact CG-CG 4.35Å |
| 184 | R | 98.9 | Very high | 98.8 | Very high | 104 Ų | 104 | 39.4 Ų | 39.4 | 39% | 0.392 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -61.5 | -50.6 | 178.2 | -177.4 | -175 | 67.5 | 81.3 | 3.6 | 111.3 | K180 D181 G186 A187 E188 Y237 | K180-R184 PolarHBondContact O-N 3.11Å; K180-R184 VanDerWaalsContact O-N 3.11Å; D181-R184 PolarHBondContact O-N 3.23Å; D181-R184 IonicContact OD1-CZ 2.64Å; D181-R184 IonicContact OD1-NE 2.66Å; D181-R184 PolarHBondContact OD1-NE 3.13Å; D181-R184 IonicContact OD1-NH2 3.85Å; D181-R184 PolarHBondContact OD1-NH2 3.48Å; R184-G186 PolarHBondContact O-N 3.05Å; R184-A187 PolarHBondContact O-N 3.4Å; R184-E188 WeakPolarHBondContact CG-OE1 3.43Å; R184-E188 IonicContact CZ-OE1 3.26Å; R184-E188 IonicContact NH1-OE1 2.73Å; R184-E188 PolarHBondContact NH1-OE1 2.93Å; R184-E188 IonicContact NH1-OE2 2.7Å; R184-E188 PolarHBondContact NH1-OE2 3.47Å; R184-E188 WeakPolarHBondContact O-CG 3.43Å; R184-E188 PolarHBondContact O-N 2.95Å; R184-Y237 PolarHBondContact NH1-OH 3.13Å |
| 185 | I | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -57 | -49.5 | 178.3 | -72.4 | 169.6 | 0 | 0 | 0 | 110.4 | P173 A176 D181 A182 A187 E188 V189 Y237 K240 I241 | P173-I185 HydrophobicContact CB-CB 4.2Å; P173-I185 HydrophobicContact CB-CG2 3.79Å; A176-I185 HydrophobicContact CB-CD1 4Å; D181-I185 WeakPolarHBondContact O-CB 3.45Å; D181-I185 VanDerWaalsContact O-CG1 3.26Å; D181-I185 WeakPolarHBondContact O-CG1 3.42Å; D181-I185 PolarHBondContact O-N 2.96Å; D181-I185 WeakPolarHBondContact OD2-CD1 3.32Å; A182-I185 PolarHBondContact O-N 3.44Å; I185-A187 PolarHBondContact O-N 2.79Å; I185-E188 PolarHBondContact O-N 3.09Å; I185-V189 WeakPolarHBondContact O-CG2 3.35Å; I185-V189 PolarHBondContact O-N 2.91Å; I185-Y237 HydrophobicContact CB-CD2 4.5Å; I185-Y237 HydrophobicContact CB-CE2 4.45Å; I185-Y237 HydrophobicContact CD1-CD1 4.38Å; I185-Y237 HydrophobicContact CD1-CE1 4.31Å; I185-Y237 HydrophobicContact CG1-CD1 4.12Å; I185-Y237 HydrophobicContact CG1-CD2 4.5Å; I185-Y237 HydrophobicContact CG1-CE1 3.82Å; I185-Y237 HydrophobicContact CG1-CE2 4.23Å; I185-Y237 HydrophobicContact CG1-CG 4.46Å; I185-Y237 HydrophobicContact CG2-CD1 4.29Å; I185-Y237 HydrophobicContact CG2-CD2 3.86Å; I185-Y237 HydrophobicContact CG2-CE2 4.29Å; I185-Y237 HydrophobicContact CG2-CG 3.87Å; I185-K240 HydrophobicContact CD1-CD 3.7Å; I185-I241 HydrophobicContact CG2-CD1 3.56Å; I185-I241 HydrophobicContact CG2-CG1 3.76Å |
| 186 | G | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.5 | -44.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | A182 M183 R184 V189 Y190 | A182-G186 PolarHBondContact O-N 2.92Å; M183-G186 PolarHBondContact O-N 3.24Å; R184-G186 PolarHBondContact O-N 3.05Å; G186-V189 PolarHBondContact O-N 3.28Å; G186-Y190 WeakPolarHBondContact O-CB 3.36Å; G186-Y190 PolarHBondContact O-N 2.87Å |
| 187 | A | 98.9 | Very high | 98.7 | Very high | 27 Ų | 27 | 42.2 Ų | 42.2 | 22% | 0.223 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.4 | -41.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | M183 R184 I185 Y190 H191 P399 | M183-A187 WeakPolarHBondContact O-CB 3.49Å; M183-A187 PolarHBondContact O-N 3.03Å; R184-A187 PolarHBondContact O-N 3.4Å; I185-A187 PolarHBondContact O-N 2.79Å; A187-Y190 PolarHBondContact O-N 3.49Å; A187-H191 PolarHBondContact O-N 2.7Å; A187-H191 PolarHBondContact O-ND1 2.78Å; A187-P399 HydrophobicContact CB-CB 4.33Å |
| 188 | E | 98.9 | Very high | 98.7 | Very high | 66 Ų | 66 | 43.4 Ų | 43.4 | 31% | 0.308 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -63.9 | -40.4 | 176.9 | -74 | 175 | -159.8 | 0 | 0 | 111.8 | R184 I185 N192 Y237 | R184-E188 WeakPolarHBondContact CG-OE1 3.43Å; R184-E188 IonicContact CZ-OE1 3.26Å; R184-E188 IonicContact NH1-OE1 2.73Å; R184-E188 PolarHBondContact NH1-OE1 2.93Å; R184-E188 IonicContact NH1-OE2 2.7Å; R184-E188 PolarHBondContact NH1-OE2 3.47Å; R184-E188 WeakPolarHBondContact O-CG 3.43Å; R184-E188 PolarHBondContact O-N 2.95Å; I185-E188 PolarHBondContact O-N 3.09Å; E188-N192 PolarHBondContact O-N 2.93Å; E188-N192 PolarHBondContact O-ND2 3.3Å; E188-Y237 HydrophobicContact CB-CE2 4.1Å; E188-Y237 WeakPolarHBondContact OE2-CE2 3.41Å; E188-Y237 VanDerWaalsContact OE2-CZ 3.25Å; E188-Y237 PolarHBondContact OE2-OH 2.75Å |
| 189 | V | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.006 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -67 | -42.7 | 173.8 | 176.9 | 0 | 0 | 0 | 0 | 111.7 | I171 I185 G186 H191 N192 L193 A231 I232 A235 Y237 I241 | I171-V189 HydrophobicContact CD1-CB 3.66Å; I171-V189 HydrophobicContact CD1-CG1 3.56Å; I185-V189 WeakPolarHBondContact O-CG2 3.35Å; I185-V189 PolarHBondContact O-N 2.91Å; G186-V189 PolarHBondContact O-N 3.28Å; V189-H191 VanDerWaalsContact C-N 3.33Å; V189-H191 PolarHBondContact O-N 2.93Å; V189-N192 PolarHBondContact O-N 2.7Å; V189-L193 WeakPolarHBondContact O-CB 3.33Å; V189-L193 PolarHBondContact O-N 2.89Å; V189-A231 HydrophobicContact CG1-CB 4.27Å; V189-I232 HydrophobicContact CG1-CG1 3.83Å; V189-A235 HydrophobicContact CG2-CB 3.69Å; V189-Y237 HydrophobicContact CG2-CD2 3.87Å; V189-I241 HydrophobicContact CB-CD1 4.17Å; V189-I241 HydrophobicContact CG1-CD1 4.45Å; V189-I241 HydrophobicContact CG2-CD1 3.22Å |
| 190 | Y | 98.9 | Very high | 98.6 | Very high | 9 Ų | 9 | 53.2 Ų | 53.2 | 4% | 0.035 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -58.8 | -42.9 | 176.3 | 177.5 | -100.2 | 0 | 0 | 0 | 112.1 | V153 G186 A187 L193 K194 V208 G212 F214 A398 P399 C400 | V153-Y190 HydrophobicContact CB-CD2 4.17Å; V153-Y190 HydrophobicContact CG1-CD2 3.78Å; G186-Y190 WeakPolarHBondContact O-CB 3.36Å; G186-Y190 PolarHBondContact O-N 2.87Å; A187-Y190 PolarHBondContact O-N 3.49Å; Y190-L193 WeakPolarHBondContact O-CB 3.48Å; Y190-L193 PolarHBondContact O-N 2.71Å; Y190-K194 PolarHBondContact O-N 2.88Å; Y190-V208 VanDerWaalsContact OH-CG1 3.32Å; Y190-V208 WeakPolarHBondContact OH-CG1 3.26Å; Y190-G212 WeakPolarHBondContact CE2-O 3.44Å; Y190-G212 PolarHBondContact OH-O 2.94Å; Y190-F214 HydrophobicContact CD1-CZ 4.36Å; Y190-F214 HydrophobicContact CD2-CD2 4.46Å; Y190-F214 AromaticContact CD2-CE2 3.69Å; Y190-F214 HydrophobicContact CD2-CE2 3.69Å; Y190-F214 HydrophobicContact CD2-CZ 4.14Å; Y190-F214 HydrophobicContact CE1-CE2 4.28Å; Y190-F214 AromaticContact CE1-CZ 3.75Å; Y190-F214 HydrophobicContact CE1-CZ 3.75Å; Y190-F214 HydrophobicContact CE2-CD2 4.02Å; Y190-F214 HydrophobicContact CE2-CE1 4.34Å; Y190-F214 AromaticContact CE2-CE2 3.37Å; Y190-F214 HydrophobicContact CE2-CE2 3.37Å; Y190-F214 AromaticContact CE2-CZ 3.54Å; Y190-F214 HydrophobicContact CE2-CZ 3.54Å; Y190-F214 HydrophobicContact CG-CE2 4.3Å; Y190-F214 AromaticContact CZ-CE1 3.95Å; Y190-F214 AromaticContact CZ-CE2 3.7Å; Y190-F214 AromaticContact CZ-CZ 3.3Å; Y190-F214 WeakPolarHBondContact OH-CZ 3.42Å; Y190-A398 HydrophobicContact CD2-CB 4.49Å; Y190-A398 HydrophobicContact CE2-CB 4.02Å; Y190-P399 HydrophobicContact CD1-CG 4.08Å; Y190-P399 HydrophobicContact CD2-CG 4.3Å; Y190-P399 HydrophobicContact CG-CG 3.75Å; Y190-C400 HydrophobicContact CE1-CB 3.95Å; Y190-C400 WeakPolarHBondContact OH-CB 3.49Å |
| 191 | H | 98.8 | Very high | 98.4 | Very high | 107 Ų | 107 | 49.2 Ų | 49.2 | 50% | 0.495 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -68.3 | -37.2 | 175.6 | -66.4 | 151.4 | 0 | 0 | 0 | 113.2 | A187 V189 K194 N195 | A187-H191 PolarHBondContact O-N 2.7Å; A187-H191 PolarHBondContact O-ND1 2.78Å; V189-H191 VanDerWaalsContact C-N 3.33Å; V189-H191 PolarHBondContact O-N 2.93Å; H191-K194 WeakPolarHBondContact O-CB 3.32Å; H191-K194 PolarHBondContact O-N 2.84Å; H191-N195 PolarHBondContact O-N 3.46Å; H191-N195 PolarHBondContact O-ND2 3.03Å |
| 192 | N | 98.8 | Very high | 98.3 | Very high | 44 Ų | 44 | 49.8 Ų | 49.8 | 24% | 0.235 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.7 | -41.9 | 172.6 | -86.3 | -79.5 | 0 | 0 | 0 | 111.7 | E188 V189 K194 N195 V196 A235 | E188-N192 PolarHBondContact O-N 2.93Å; E188-N192 PolarHBondContact O-ND2 3.3Å; V189-N192 PolarHBondContact O-N 2.7Å; N192-K194 VanDerWaalsContact C-N 3.32Å; N192-K194 PolarHBondContact O-N 2.93Å; N192-N195 WeakPolarHBondContact O-CB 3.37Å; N192-N195 PolarHBondContact O-N 2.87Å; N192-N195 VanDerWaalsContact O-N 3.11Å; N192-V196 WeakPolarHBondContact O-CG2 3.34Å; N192-V196 PolarHBondContact O-N 2.8Å; N192-A235 HydrophobicContact CB-CB 4.38Å |
| 193 | L | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.7 | -43 | 175.4 | 179.8 | 63 | 0 | 0 | 0 | 111.2 | V153 I154 V189 Y190 N195 V196 I197 F214 L227 L228 A231 | V153-L193 HydrophobicContact CB-CD2 3.78Å; V153-L193 HydrophobicContact CG2-CD2 3.91Å; I154-L193 HydrophobicContact CD1-CD1 4.27Å; I154-L193 HydrophobicContact CD1-CD2 4.31Å; I154-L193 HydrophobicContact CG1-CD2 3.85Å; V189-L193 WeakPolarHBondContact O-CB 3.33Å; V189-L193 PolarHBondContact O-N 2.89Å; Y190-L193 WeakPolarHBondContact O-CB 3.48Å; Y190-L193 PolarHBondContact O-N 2.71Å; L193-N195 VanDerWaalsContact C-N 3.26Å; L193-N195 PolarHBondContact O-N 2.89Å; L193-V196 PolarHBondContact O-N 2.79Å; L193-I197 HydrophobicContact CD1-CD1 3.89Å; L193-I197 HydrophobicContact CD1-CG1 4.1Å; L193-I197 HydrophobicContact CD2-CD1 4.42Å; L193-I197 HydrophobicContact CG-CD1 3.8Å; L193-I197 HydrophobicContact CG-CG1 4.38Å; L193-I197 WeakPolarHBondContact O-CB 3.37Å; L193-I197 WeakPolarHBondContact O-CG1 3.35Å; L193-I197 PolarHBondContact O-N 3.03Å; L193-F214 HydrophobicContact CB-CE2 4.38Å; L193-F214 HydrophobicContact CD2-CD2 3.89Å; L193-F214 HydrophobicContact CD2-CE2 4.25Å; L193-F214 HydrophobicContact CG-CD2 3.99Å; L193-F214 HydrophobicContact CG-CE2 4.22Å; L193-L227 HydrophobicContact CD1-CB 4.05Å; L193-L228 HydrophobicContact CD1-CD2 4.13Å; L193-L228 HydrophobicContact CD2-CD2 3.66Å; L193-A231 HydrophobicContact CB-CB 3.67Å; L193-A231 HydrophobicContact CD1-CB 3.91Å; L193-A231 HydrophobicContact CG-CB 4.39Å |
| 194 | K | 98.7 | Very high | 98 | Very high | 89 Ų | 89 | 61.2 Ų | 61.2 | 39% | 0.387 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -52.7 | -45.9 | 173.3 | -168 | 174.1 | 178.7 | 170.6 | 0 | 111.8 | Y190 H191 N192 K198 T206 F214 | Y190-K194 PolarHBondContact O-N 2.88Å; H191-K194 WeakPolarHBondContact O-CB 3.32Å; H191-K194 PolarHBondContact O-N 2.84Å; N192-K194 VanDerWaalsContact C-N 3.32Å; N192-K194 PolarHBondContact O-N 2.93Å; K194-K198 VanDerWaalsContact O-CB 3.27Å; K194-K198 WeakPolarHBondContact O-CB 3.28Å; K194-K198 PolarHBondContact O-N 3.3Å; K194-T206 HydrophobicContact CG-CG2 3.85Å; K194-T206 WeakPolarHBondContact O-CG2 3.33Å; K194-F214 HydrophobicContact CB-CE1 4.06Å; K194-F214 HydrophobicContact CB-CE2 3.88Å; K194-F214 HydrophobicContact CB-CZ 3.39Å; K194-F214 HydrophobicContact CD-CE1 4.11Å; K194-F214 HydrophobicContact CD-CZ 4.01Å; K194-F214 HydrophobicContact CG-CE1 3.76Å; K194-F214 HydrophobicContact CG-CE2 4.49Å; K194-F214 HydrophobicContact CG-CZ 3.62Å |
| 195 | N | 98.3 | Very high | 97.8 | Very high | 94 Ų | 94 | 56.8 Ų | 56.8 | 50% | 0.503 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -68.5 | -43 | -179.3 | -67.6 | -26.7 | 0 | 0 | 0 | 111.8 | H191 N192 L193 I197 K198 E199 | H191-N195 PolarHBondContact O-N 3.46Å; H191-N195 PolarHBondContact O-ND2 3.03Å; N192-N195 WeakPolarHBondContact O-CB 3.37Å; N192-N195 PolarHBondContact O-N 2.87Å; N192-N195 VanDerWaalsContact O-N 3.11Å; L193-N195 VanDerWaalsContact C-N 3.26Å; L193-N195 PolarHBondContact O-N 2.89Å; N195-I197 PolarHBondContact O-N 2.82Å; N195-K198 PolarHBondContact O-N 3.04Å; N195-E199 VanDerWaalsContact O-CB 3.31Å; N195-E199 WeakPolarHBondContact O-CB 3.29Å; N195-E199 PolarHBondContact O-N 2.89Å |
| 196 | V | 98.1 | Very high | 97.7 | Very high | 12 Ų | 12 | 57.9 Ų | 57.9 | 7% | 0.073 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.4 | -46 | 175.3 | 172.2 | 0 | 0 | 0 | 0 | 111.1 | N192 L193 E199 K200 L227 K234 | N192-V196 WeakPolarHBondContact O-CG2 3.34Å; N192-V196 PolarHBondContact O-N 2.8Å; L193-V196 PolarHBondContact O-N 2.79Å; V196-E199 PolarHBondContact O-N 3.5Å; V196-K200 WeakPolarHBondContact O-CB 3.46Å; V196-K200 PolarHBondContact O-N 3.44Å; V196-K200 VanDerWaalsContact O-N 3.09Å; V196-L227 HydrophobicContact CG1-CD2 3.75Å; V196-K234 HydrophobicContact CG2-CD 3.7Å |
| 197 | I | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -64.8 | -45 | 178 | -71.5 | 173.1 | 0 | 0 | 0 | 110.6 | L193 N195 E199 K200 Y201 A205 T206 F214 P216 L227 | L193-I197 HydrophobicContact CD1-CD1 3.89Å; L193-I197 HydrophobicContact CD1-CG1 4.1Å; L193-I197 HydrophobicContact CD2-CD1 4.42Å; L193-I197 HydrophobicContact CG-CD1 3.8Å; L193-I197 HydrophobicContact CG-CG1 4.38Å; L193-I197 WeakPolarHBondContact O-CB 3.37Å; L193-I197 WeakPolarHBondContact O-CG1 3.35Å; L193-I197 PolarHBondContact O-N 3.03Å; N195-I197 PolarHBondContact O-N 2.82Å; I197-E199 VanDerWaalsContact C-N 3.31Å; I197-E199 PolarHBondContact O-N 3.25Å; I197-K200 PolarHBondContact O-N 3.1Å; I197-Y201 HydrophobicContact CG2-CD2 4.15Å; I197-Y201 PolarHBondContact O-N 3.35Å; I197-A205 HydrophobicContact CG2-CB 3.68Å; I197-A205 WeakPolarHBondContact CG2-O 3.18Å; I197-T206 HydrophobicContact CB-CG2 4.48Å; I197-T206 HydrophobicContact CG2-CG2 4.09Å; I197-F214 HydrophobicContact CD1-CB 3.53Å; I197-F214 HydrophobicContact CD1-CD2 3.69Å; I197-F214 HydrophobicContact CD1-CG 3.77Å; I197-P216 HydrophobicContact CD1-CG 4.23Å; I197-P216 HydrophobicContact CG2-CB 4.15Å; I197-L227 HydrophobicContact CG1-CD1 4.44Å |
| 198 | K | 97.9 | Very high | 97.3 | Very high | 115 Ų | 115 | 64.2 Ų | 64.2 | 50% | 0.5 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -59.1 | -42.9 | 178.1 | -174.9 | 174.4 | 176.9 | -173.9 | 0 | 112.3 | K194 N195 G202 T206 | K194-K198 VanDerWaalsContact O-CB 3.27Å; K194-K198 WeakPolarHBondContact O-CB 3.28Å; K194-K198 PolarHBondContact O-N 3.3Å; N195-K198 PolarHBondContact O-N 3.04Å; K198-G202 CarbonylContact O-C 3.35Å; K198-G202 WeakPolarHBondContact O-CA 3.39Å; K198-G202 PolarHBondContact O-N 2.79Å; K198-T206 HydrophobicContact CB-CG2 3.71Å; K198-T206 HydrophobicContact CG-CG2 4.45Å |
| 199 | E | 97.5 | Very high | 96.8 | Very high | 150 Ų | 150 | 61.7 Ų | 61.7 | 70% | 0.701 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -65.2 | -42.4 | 179.8 | -174.7 | 177.9 | -175.1 | 0 | 0 | 111.2 | N195 V196 I197 K234 | N195-E199 VanDerWaalsContact O-CB 3.31Å; N195-E199 WeakPolarHBondContact O-CB 3.29Å; N195-E199 PolarHBondContact O-N 2.89Å; V196-E199 PolarHBondContact O-N 3.5Å; I197-E199 VanDerWaalsContact C-N 3.31Å; I197-E199 PolarHBondContact O-N 3.25Å; E199-K234 IonicContact OE2-NZ 2.7Å; E199-K234 PolarHBondContact OE2-NZ 2.82Å |
| 200 | K | 97.3 | Very high | 96.3 | Very high | 116 Ų | 116 | 64.1 Ų | 64.1 | 50% | 0.504 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -86 | -40 | -174.7 | -170.2 | 174.3 | 176.1 | -160.9 | 0 | 114.5 | V196 I197 E223 L227 | V196-K200 WeakPolarHBondContact O-CB 3.46Å; V196-K200 PolarHBondContact O-N 3.44Å; V196-K200 VanDerWaalsContact O-N 3.09Å; I197-K200 PolarHBondContact O-N 3.1Å; K200-E223 IonicContact NZ-OE1 3.4Å; K200-E223 PolarHBondContact NZ-OE1 3.46Å; K200-L227 HydrophobicContact CD-CD2 4.27Å |
| 201 | Y | 96.2 | Very high | 96.1 | Very high | 62 Ų | 62 | 63.9 Ų | 63.9 | 24% | 0.243 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -118.6 | 2.7 | -171.5 | -51.9 | -75.7 | 0 | 0 | 0 | 113.7 | I197 P216 I218 E223 L227 | I197-Y201 HydrophobicContact CG2-CD2 4.15Å; I197-Y201 PolarHBondContact O-N 3.35Å; Y201-P216 HydrophobicContact CD2-CB 3.95Å; Y201-P216 HydrophobicContact CE2-CB 4.17Å; Y201-P216 HydrophobicContact CG-CB 4.39Å; Y201-I218 HydrophobicContact CE1-CG2 3.8Å; Y201-I218 HydrophobicContact CE2-CG2 4.2Å; Y201-I218 VanDerWaalsContact OH-CG2 3.32Å; Y201-I218 WeakPolarHBondContact OH-CG2 3.29Å; Y201-E223 WeakPolarHBondContact OH-CG 3.35Å; Y201-E223 PolarHBondContact OH-OE1 3.31Å; Y201-L227 HydrophobicContact CE2-CD1 3.74Å; Y201-L227 HydrophobicContact CE2-CD2 3.88Å; Y201-L227 HydrophobicContact CE2-CG 4.42Å |
| 202 | G | 96.9 | Very high | 96 | Very high | 32 Ų | 32 | 58.8 Ų | 58.8 | 33% | 0.33 | 30% | 0.298 | S | S | . | . | trans | 84.7 | 170.5 | -179 | 0 | 0 | 0 | 0 | 0 | 114 | K198 D204 A205 | K198-G202 CarbonylContact O-C 3.35Å; K198-G202 WeakPolarHBondContact O-CA 3.39Å; K198-G202 PolarHBondContact O-N 2.79Å; G202-D204 VanDerWaalsContact C-N 3.3Å; G202-D204 PolarHBondContact O-N 2.94Å; G202-A205 PolarHBondContact O-N 3.11Å | ||
| 203 | K | 95.7 | Very high | 95.9 | Very high | 142 Ų | 142 | 56.7 Ų | 56.7 | 62% | 0.617 | 29% | 0.287 | S | S | * | . | G | 310 helix | trans | -61.8 | -34.2 | -173.5 | 68.7 | 179 | -175.8 | 174.9 | 0 | 113.5 | A205 T206 | K203-A205 PolarHBondContact O-N 2.66Å; K203-T206 WeakPolarHBondContact O-CB 3.4Å; K203-T206 PolarHBondContact O-N 2.88Å; K203-T206 PolarHBondContact O-OG1 3.03Å |
| 204 | D | 94.1 | Very high | 95.9 | Very high | 115 Ų | 115 | 56.7 Ų | 56.7 | 62% | 0.615 | 29% | 0.287 | S | S | * | . | G | 310 helix | trans | -71.5 | -24.6 | -173.4 | -58.7 | -29.1 | 0 | 0 | 0 | 111.4 | G202 T206 N207 | G202-D204 VanDerWaalsContact C-N 3.3Å; G202-D204 PolarHBondContact O-N 2.94Å; D204-T206 PolarHBondContact O-N 3.39Å; D204-N207 PolarHBondContact O-N 3.4Å; D204-N207 PolarHBondContact O-ND2 3.5Å |
| 205 | A | 95.2 | Very high | 95.7 | Very high | 12 Ų | 12 | 53.9 Ų | 53.9 | 10% | 0.099 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -70 | -7.9 | 172 | 0 | 0 | 0 | 0 | 0 | 113.7 | I197 G202 K203 P216 | I197-A205 HydrophobicContact CG2-CB 3.68Å; I197-A205 WeakPolarHBondContact CG2-O 3.18Å; G202-A205 PolarHBondContact O-N 3.11Å; K203-A205 PolarHBondContact O-N 2.66Å; A205-P216 HydrophobicContact CB-CB 4.39Å |
| 206 | T | 96.3 | Very high | 95.5 | Very high | 22 Ų | 22 | 49.4 Ų | 49.4 | 14% | 0.135 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -94.1 | 6.6 | 175.8 | 69.3 | 0 | 0 | 0 | 0 | 114.1 | K194 I197 K198 K203 D204 F214 | K194-T206 HydrophobicContact CG-CG2 3.85Å; K194-T206 WeakPolarHBondContact O-CG2 3.33Å; I197-T206 HydrophobicContact CB-CG2 4.48Å; I197-T206 HydrophobicContact CG2-CG2 4.09Å; K198-T206 HydrophobicContact CB-CG2 3.71Å; K198-T206 HydrophobicContact CG-CG2 4.45Å; K203-T206 WeakPolarHBondContact O-CB 3.4Å; K203-T206 PolarHBondContact O-N 2.88Å; K203-T206 PolarHBondContact O-OG1 3.03Å; D204-T206 PolarHBondContact O-N 3.39Å; T206-F214 WeakPolarHBondContact O-CD1 3.4Å; T206-F214 WeakPolarHBondContact O-CE1 3.46Å |
| 207 | N | 95.1 | Very high | 95.2 | Very high | 109 Ų | 109 | 54.6 Ų | 54.6 | 58% | 0.583 | 28% | 0.284 | S | S | * | . | trans | -64.2 | 155 | 162.9 | -67.1 | -33.1 | 0 | 0 | 0 | 109.7 | D204 A215 | D204-N207 PolarHBondContact O-N 3.4Å; D204-N207 PolarHBondContact O-ND2 3.5Å; N207-A215 PolarHBondContact O-N 2.89Å | ||
| 208 | V | 94.5 | Very high | 94.9 | Very high | 52 Ų | 52 | 54.8 Ų | 54.8 | 32% | 0.315 | 29% | 0.285 | S | S | . | . | B | Isolated β-bridge | trans | -112.1 | 145.2 | -174.3 | -60.3 | 0 | 0 | 0 | 0 | 111.1 | Y190 G212 G213 F214 R401 | Y190-V208 VanDerWaalsContact OH-CG1 3.32Å; Y190-V208 WeakPolarHBondContact OH-CG1 3.26Å; V208-G212 WeakPolarHBondContact CG1-O 3.49Å; V208-G213 CarbonylContact C-O 3.55Å; V208-G213 VanDerWaalsContact CA-O 3.23Å; V208-G213 WeakPolarHBondContact CA-O 3.35Å; V208-F214 HydrophobicContact CG1-CD1 4.1Å; V208-F214 HydrophobicContact CG1-CE1 4.08Å; V208-R401 HydrophobicContact CG2-CG 4.46Å |
| 209 | G | 88.9 | Confident | 94.6 | Very high | 12 Ų | 12 | 52.1 Ų | 52.1 | 12% | 0.124 | 28% | 0.276 | C | S | . | . | trans | -78 | -168.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | E211 G212 G213 | G209-E211 PolarHBondContact O-N 3.48Å; G209-E211 VanDerWaalsContact O-N 3.08Å; G209-G212 PolarHBondContact O-N 3.37Å; G209-G212 VanDerWaalsContact O-N 3.11Å; G209-G213 PolarHBondContact N-O 3.05Å | ||
| 210 | D | 88.7 | Confident | 94.4 | Very high | 53 Ų | 53 | 50.7 Ų | 50.7 | 28% | 0.283 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | -33.8 | -176.6 | -76.3 | -4.2 | 0 | 0 | 0 | 113.2 | R16 R401 R404 | R16-D210 WeakPolarHBondContact CD-OD2 3.36Å; D210-R401 PolarHBondContact O-NE 2.87Å; D210-R404 PolarHBondContact O-NH2 2.79Å |
| 211 | E | 94.3 | Very high | 94.2 | Very high | 4 Ų | 4 | 45.4 Ų | 45.4 | 2% | 0.019 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | 8.2 | -173.6 | -60.7 | -176.7 | 177.4 | 0 | 0 | 114.3 | N152 H159 G209 G213 H372 A398 | N152-E211 PolarHBondContact ND2-OE2 3.22Å; H159-E211 IonicContact CE1-OE1 3.74Å; H159-E211 PolarHBondContact CE1-OE1 2.72Å; H159-E211 VanDerWaalsContact CE1-OE1 3.23Å; H159-E211 IonicContact ND1-OE1 2.84Å; G209-E211 PolarHBondContact O-N 3.48Å; G209-E211 VanDerWaalsContact O-N 3.08Å; E211-G213 VanDerWaalsContact C-N 3.32Å; E211-G213 PolarHBondContact O-N 2.94Å; E211-H372 IonicContact OE1-CE1 3.03Å; E211-H372 IonicContact OE1-NE2 2.71Å; E211-H372 IonicContact OE2-CE1 2.7Å; E211-H372 PolarHBondContact OE2-CE1 2.95Å; E211-H372 IonicContact OE2-NE2 3.2Å; E211-H372 PolarHBondContact OE2-NE2 2.98Å; E211-A398 WeakPolarHBondContact O-CB 3.36Å; E211-A398 PolarHBondContact O-N 3.2Å |
| 212 | G | 96.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | S | Bend | trans | 86.6 | -7.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115 | Y190 V208 G209 A398 | Y190-G212 WeakPolarHBondContact CE2-O 3.44Å; Y190-G212 PolarHBondContact OH-O 2.94Å; V208-G212 WeakPolarHBondContact CG1-O 3.49Å; G209-G212 PolarHBondContact O-N 3.37Å; G209-G212 VanDerWaalsContact O-N 3.11Å; G212-A398 WeakPolarHBondContact O-CB 3.48Å |
| 213 | G | 97.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.251 | C | S | . | . | trans | -71.9 | 155.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | V153 N155 V208 G209 E211 | V153-G213 WeakPolarHBondContact O-CA 3.5Å; N155-G213 VanDerWaalsContact OD1-CA 3.32Å; N155-G213 WeakPolarHBondContact OD1-CA 3.36Å; V208-G213 CarbonylContact C-O 3.55Å; V208-G213 VanDerWaalsContact CA-O 3.23Å; V208-G213 WeakPolarHBondContact CA-O 3.35Å; G209-G213 PolarHBondContact N-O 3.05Å; E211-G213 VanDerWaalsContact C-N 3.32Å; E211-G213 PolarHBondContact O-N 2.94Å | ||
| 214 | F | 98.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | B | Isolated β-bridge | trans | -75.1 | 150.6 | 179.8 | -58.9 | -65.1 | 0 | 0 | 0 | 111.6 | V153 I154 N155 Y190 L193 K194 I197 T206 V208 P216 | V153-F214 WeakPolarHBondContact O-CD2 3.33Å; V153-F214 PolarHBondContact O-N 2.85Å; I154-F214 CarbonylContact C-O 3.59Å; I154-F214 WeakPolarHBondContact CA-O 3.39Å; N155-F214 PolarHBondContact N-O 2.89Å; Y190-F214 HydrophobicContact CD1-CZ 4.36Å; Y190-F214 HydrophobicContact CD2-CD2 4.46Å; Y190-F214 AromaticContact CD2-CE2 3.69Å; Y190-F214 HydrophobicContact CD2-CE2 3.69Å; Y190-F214 HydrophobicContact CD2-CZ 4.14Å; Y190-F214 HydrophobicContact CE1-CE2 4.28Å; Y190-F214 AromaticContact CE1-CZ 3.75Å; Y190-F214 HydrophobicContact CE1-CZ 3.75Å; Y190-F214 HydrophobicContact CE2-CD2 4.02Å; Y190-F214 HydrophobicContact CE2-CE1 4.34Å; Y190-F214 AromaticContact CE2-CE2 3.37Å; Y190-F214 HydrophobicContact CE2-CE2 3.37Å; Y190-F214 AromaticContact CE2-CZ 3.54Å; Y190-F214 HydrophobicContact CE2-CZ 3.54Å; Y190-F214 HydrophobicContact CG-CE2 4.3Å; Y190-F214 AromaticContact CZ-CE1 3.95Å; Y190-F214 AromaticContact CZ-CE2 3.7Å; Y190-F214 AromaticContact CZ-CZ 3.3Å; Y190-F214 WeakPolarHBondContact OH-CZ 3.42Å; L193-F214 HydrophobicContact CB-CE2 4.38Å; L193-F214 HydrophobicContact CD2-CD2 3.89Å; L193-F214 HydrophobicContact CD2-CE2 4.25Å; L193-F214 HydrophobicContact CG-CD2 3.99Å; L193-F214 HydrophobicContact CG-CE2 4.22Å; K194-F214 HydrophobicContact CB-CE1 4.06Å; K194-F214 HydrophobicContact CB-CE2 3.88Å; K194-F214 HydrophobicContact CB-CZ 3.39Å; K194-F214 HydrophobicContact CD-CE1 4.11Å; K194-F214 HydrophobicContact CD-CZ 4.01Å; K194-F214 HydrophobicContact CG-CE1 3.76Å; K194-F214 HydrophobicContact CG-CE2 4.49Å; K194-F214 HydrophobicContact CG-CZ 3.62Å; I197-F214 HydrophobicContact CD1-CB 3.53Å; I197-F214 HydrophobicContact CD1-CD2 3.69Å; I197-F214 HydrophobicContact CD1-CG 3.77Å; T206-F214 WeakPolarHBondContact O-CD1 3.4Å; T206-F214 WeakPolarHBondContact O-CE1 3.46Å; V208-F214 HydrophobicContact CG1-CD1 4.1Å; V208-F214 HydrophobicContact CG1-CE1 4.08Å; F214-P216 VanDerWaalsContact O-CD 3.3Å; F214-P216 WeakPolarHBondContact O-CD 3.4Å |
| 215 | A | 95.5 | Very high | 94.5 | Very high | 30 Ų | 30 | 35.9 Ų | 35.9 | 25% | 0.248 | 19% | 0.192 | C | C | . | . | trans | -119.9 | 63.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | A160 N207 | A160-A215 HydrophobicContact CB-CB 3.74Å; N207-A215 PolarHBondContact O-N 2.89Å | ||
| 216 | P | 94.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.202 | C | C | . | . | trans | -63.2 | 149.6 | 176.5 | 30 | -34.6 | 0 | 0 | 0 | 110.4 | I154 N162 I197 Y201 A205 F214 I218 L227 | I154-P216 HydrophobicContact CG2-CG 4.23Å; N162-P216 VanDerWaalsContact CB-O 3.24Å; N162-P216 WeakPolarHBondContact CB-O 3.47Å; N162-P216 PolarHBondContact ND2-O 2.86Å; I197-P216 HydrophobicContact CD1-CG 4.23Å; I197-P216 HydrophobicContact CG2-CB 4.15Å; Y201-P216 HydrophobicContact CD2-CB 3.95Å; Y201-P216 HydrophobicContact CE2-CB 4.17Å; Y201-P216 HydrophobicContact CG-CB 4.39Å; A205-P216 HydrophobicContact CB-CB 4.39Å; F214-P216 VanDerWaalsContact O-CD 3.3Å; F214-P216 WeakPolarHBondContact O-CD 3.4Å; P216-I218 HydrophobicContact CB-CG2 4.3Å; P216-I218 HydrophobicContact CG-CD1 4.02Å; P216-I218 HydrophobicContact CG-CG1 4.18Å; P216-I218 HydrophobicContact CG-CG2 4.44Å; P216-I218 PolarHBondContact O-N 3.31Å; P216-L227 HydrophobicContact CG-CD1 4.4Å | ||
| 217 | N | 90.6 | Very high | 94.7 | Very high | 121 Ų | 121 | 37.5 Ų | 37.5 | 65% | 0.647 | 20% | 0.197 | S | C | * | . | S | Bend | trans | -78.2 | 70.4 | 179.3 | -170.7 | 32.7 | 0 | 0 | 0 | 111.3 | ||
| 218 | I | 92.6 | Very high | 94.9 | Very high | 3 Ų | 3 | 32.3 Ų | 32.3 | 2% | 0.015 | 17% | 0.169 | C | C | . | . | trans | -110.8 | 150.6 | 176.6 | 60.1 | 178.5 | 0 | 0 | 0 | 109.7 | I154 K163 L164 Y201 P216 E223 A224 L227 | I154-I218 HydrophobicContact CG2-CD1 4.5Å; K163-I218 CarbonylContact C-O 3.58Å; K163-I218 PolarHBondContact N-O 2.86Å; L164-I218 HydrophobicContact CB-CG1 4.23Å; L164-I218 WeakPolarHBondContact CB-O 3.4Å; L164-I218 HydrophobicContact CD1-CD1 4.25Å; L164-I218 HydrophobicContact CD1-CG1 4.2Å; L164-I218 HydrophobicContact CD2-CD1 3.95Å; L164-I218 HydrophobicContact CD2-CG1 4.08Å; L164-I218 HydrophobicContact CG-CG1 4.43Å; L164-I218 PolarHBondContact N-O 3.07Å; Y201-I218 HydrophobicContact CE1-CG2 3.8Å; Y201-I218 HydrophobicContact CE2-CG2 4.2Å; Y201-I218 VanDerWaalsContact OH-CG2 3.32Å; Y201-I218 WeakPolarHBondContact OH-CG2 3.29Å; P216-I218 HydrophobicContact CB-CG2 4.3Å; P216-I218 HydrophobicContact CG-CD1 4.02Å; P216-I218 HydrophobicContact CG-CG1 4.18Å; P216-I218 HydrophobicContact CG-CG2 4.44Å; P216-I218 PolarHBondContact O-N 3.31Å; I218-E223 HydrophobicContact CB-CG 4.48Å; I218-E223 HydrophobicContact CG2-CG 4Å; I218-E223 WeakPolarHBondContact CG2-OE2 3.35Å; I218-A224 HydrophobicContact CD1-CB 3.67Å; I218-L227 HydrophobicContact CD1-CD1 4.31Å | ||
| 219 | L | 91.6 | Very high | 95.1 | Very high | 60 Ų | 60 | 34.5 Ų | 34.5 | 31% | 0.314 | 17% | 0.174 | S | C | . | . | trans | -105.9 | -48.8 | 174.8 | 172.2 | 64.4 | 0 | 0 | 0 | 110.4 | K163 N221 D261 | K163-L219 HydrophobicContact CB-CB 4.01Å; K163-L219 HydrophobicContact CB-CD1 3.68Å; K163-L219 HydrophobicContact CB-CG 4.44Å; K163-L219 HydrophobicContact CD-CD1 4.29Å; L219-N221 PolarHBondContact O-N 3.39Å; L219-D261 HydrophobicContact CD1-CB 3.98Å; L219-D261 WeakPolarHBondContact CD1-OD1 3.14Å | ||
| 220 | E | 93.6 | Very high | 95.5 | Very high | 119 Ų | 119 | 37.7 Ų | 37.7 | 56% | 0.556 | 19% | 0.188 | S | C | * | . | trans | -74.2 | 122.1 | -174.1 | -66.3 | -63.5 | 160.3 | 0 | 0 | 111.9 | K222 E223 | E220-K222 PolarHBondContact O-N 2.76Å; E220-E223 HydrophobicContact CB-CB 4.17Å; E220-E223 VanDerWaalsContact O-CB 3.28Å; E220-E223 WeakPolarHBondContact O-CB 3.37Å; E220-E223 PolarHBondContact O-N 3.05Å | ||
| 221 | N | 93.2 | Very high | 96 | Very high | 5 Ų | 5 | 35.2 Ų | 35.2 | 3% | 0.027 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60 | -31.3 | 177.1 | -57.3 | -68.3 | 0 | 0 | 0 | 112.5 | L164 M166 F169 L219 E223 A224 L225 F284 | L164-N221 HydrophobicContact CD1-CB 4.32Å; L164-N221 WeakPolarHBondContact CD1-OD1 3.16Å; M166-N221 WeakPolarHBondContact CB-OD1 3.33Å; M166-N221 HydrophobicContact CE-CB 4.03Å; M166-N221 HydrophobicContact CG-CB 4.42Å; M166-N221 WeakPolarHBondContact CG-OD1 2.92Å; M166-N221 PolarHBondContact N-OD1 2.63Å; M166-N221 HydrophobicContact SD-CB 3.7Å; M166-N221 VanDerWaalsContact SD-CG 3.51Å; F169-N221 HydrophobicContact CZ-CB 4.06Å; L219-N221 PolarHBondContact O-N 3.39Å; N221-E223 VanDerWaalsContact C-N 3.26Å; N221-E223 PolarHBondContact O-N 2.94Å; N221-A224 WeakPolarHBondContact O-CB 3.48Å; N221-A224 PolarHBondContact O-N 2.74Å; N221-L225 PolarHBondContact O-N 2.82Å; N221-F284 HydrophobicContact CB-CE2 3.97Å; N221-F284 HydrophobicContact CB-CZ 3.85Å |
| 222 | K | 96.1 | Very high | 96.2 | Very high | 94 Ų | 94 | 35.3 Ų | 35.3 | 41% | 0.409 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -61.4 | -34.8 | 173.8 | -169.7 | 172.4 | -176 | 163.1 | 0 | 112.4 | E220 A224 L225 E226 F284 D287 Y288 | E220-K222 PolarHBondContact O-N 2.76Å; K222-A224 VanDerWaalsContact C-N 3.33Å; K222-A224 PolarHBondContact O-N 3.38Å; K222-L225 PolarHBondContact O-N 3.25Å; K222-E226 PolarHBondContact O-N 3.5Å; K222-F284 HydrophobicContact CB-CE1 4.16Å; K222-D287 IonicContact NZ-OD2 3.29Å; K222-Y288 WeakPolarHBondContact CE-OH 3.36Å; K222-Y288 HydrophobicContact CG-CE2 4.15Å; K222-Y288 WeakPolarHBondContact CG-OH 3.49Å |
| 223 | E | 96.9 | Very high | 96.3 | Very high | 57 Ų | 57 | 37.9 Ų | 37.9 | 27% | 0.266 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -67 | -35.6 | 179 | -174.6 | 165 | -146.2 | 0 | 0 | 111.8 | K200 Y201 I218 E220 N221 E226 L227 | K200-E223 IonicContact NZ-OE1 3.4Å; K200-E223 PolarHBondContact NZ-OE1 3.46Å; Y201-E223 WeakPolarHBondContact OH-CG 3.35Å; Y201-E223 PolarHBondContact OH-OE1 3.31Å; I218-E223 HydrophobicContact CB-CG 4.48Å; I218-E223 HydrophobicContact CG2-CG 4Å; I218-E223 WeakPolarHBondContact CG2-OE2 3.35Å; E220-E223 HydrophobicContact CB-CB 4.17Å; E220-E223 VanDerWaalsContact O-CB 3.28Å; E220-E223 WeakPolarHBondContact O-CB 3.37Å; E220-E223 PolarHBondContact O-N 3.05Å; N221-E223 VanDerWaalsContact C-N 3.26Å; N221-E223 PolarHBondContact O-N 2.94Å; E223-E226 PolarHBondContact O-N 3.5Å; E223-L227 VanDerWaalsContact O-CG 3.3Å; E223-L227 WeakPolarHBondContact O-CG 3.46Å; E223-L227 PolarHBondContact O-N 3.26Å |
| 224 | A | 97.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.3 | -45.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | I154 L164 F169 I218 N221 K222 E226 L227 L228 | I154-A224 HydrophobicContact CD1-CB 4.2Å; I154-A224 HydrophobicContact CG2-CB 4.42Å; L164-A224 HydrophobicContact CD2-CB 4.35Å; F169-A224 HydrophobicContact CD1-CB 3.77Å; F169-A224 HydrophobicContact CD2-CB 3.95Å; F169-A224 HydrophobicContact CE1-CB 3.63Å; F169-A224 HydrophobicContact CE2-CB 3.88Å; F169-A224 HydrophobicContact CG-CB 3.93Å; F169-A224 HydrophobicContact CZ-CB 3.7Å; I218-A224 HydrophobicContact CD1-CB 3.67Å; N221-A224 WeakPolarHBondContact O-CB 3.48Å; N221-A224 PolarHBondContact O-N 2.74Å; K222-A224 VanDerWaalsContact C-N 3.33Å; K222-A224 PolarHBondContact O-N 3.38Å; A224-E226 PolarHBondContact O-N 2.8Å; A224-L227 WeakPolarHBondContact O-CB 3.4Å; A224-L227 PolarHBondContact O-N 2.98Å; A224-L228 WeakPolarHBondContact O-CG 3.41Å; A224-L228 PolarHBondContact O-N 3.26Å |
| 225 | L | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.6 | -39.1 | 177.8 | -66 | 171.9 | 0 | 0 | 0 | 112.5 | F169 N221 K222 L228 K229 I243 M245 F284 Y288 V290 | F169-L225 HydrophobicContact CD1-CD2 3.84Å; F169-L225 HydrophobicContact CD1-CG 4.15Å; F169-L225 HydrophobicContact CE1-CD2 4.17Å; F169-L225 HydrophobicContact CE1-CG 4.04Å; N221-L225 PolarHBondContact O-N 2.82Å; K222-L225 PolarHBondContact O-N 3.25Å; L225-L228 PolarHBondContact O-N 3Å; L225-K229 WeakPolarHBondContact O-CB 3.48Å; L225-K229 PolarHBondContact O-N 3.36Å; L225-I243 HydrophobicContact CD2-CD1 4.13Å; L225-I243 HydrophobicContact CD2-CG2 3.84Å; L225-M245 HydrophobicContact CD1-SD 4.34Å; L225-M245 HydrophobicContact CD2-SD 4.05Å; L225-F284 HydrophobicContact CD1-CB 3.83Å; L225-F284 HydrophobicContact CD1-CD1 3.83Å; L225-F284 HydrophobicContact CD1-CD2 3.82Å; L225-F284 HydrophobicContact CD1-CE1 4.33Å; L225-F284 HydrophobicContact CD1-CE2 4.31Å; L225-F284 HydrophobicContact CD1-CG 3.56Å; L225-Y288 HydrophobicContact CB-CD1 3.81Å; L225-Y288 HydrophobicContact CB-CD2 3.96Å; L225-Y288 HydrophobicContact CB-CE1 3.8Å; L225-Y288 HydrophobicContact CB-CE2 3.94Å; L225-Y288 HydrophobicContact CB-CG 3.9Å; L225-Y288 HydrophobicContact CD1-CD2 3.56Å; L225-Y288 HydrophobicContact CD1-CE2 3.83Å; L225-Y288 HydrophobicContact CD1-CG 4.11Å; L225-Y288 HydrophobicContact CG-CD2 4.31Å; L225-Y288 HydrophobicContact CG-CG 4.46Å; L225-V290 HydrophobicContact CD2-CG2 4.09Å |
| 226 | E | 98.1 | Very high | 96.5 | Very high | 65 Ų | 65 | 45.9 Ų | 45.9 | 30% | 0.304 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -64.5 | -39.6 | 173.6 | -73.2 | -59.8 | 156.4 | 0 | 0 | 112.6 | K222 E223 A224 L228 K229 N230 Y288 | K222-E226 PolarHBondContact O-N 3.5Å; E223-E226 PolarHBondContact O-N 3.5Å; A224-E226 PolarHBondContact O-N 2.8Å; E226-L228 VanDerWaalsContact C-N 3.33Å; E226-L228 PolarHBondContact O-N 3.45Å; E226-K229 PolarHBondContact O-N 3.42Å; E226-N230 WeakPolarHBondContact O-CB 3.37Å; E226-N230 VanDerWaalsContact O-CG 3.22Å; E226-N230 PolarHBondContact O-N 3.05Å; E226-N230 PolarHBondContact O-ND2 2.83Å; E226-N230 VanDerWaalsContact O-ND2 3.13Å; E226-Y288 HydrophobicContact CG-CE1 4.2Å; E226-Y288 WeakPolarHBondContact CG-OH 3.23Å; E226-Y288 WeakPolarHBondContact OE1-CE1 3.17Å; E226-Y288 VanDerWaalsContact OE1-CZ 3.24Å; E226-Y288 PolarHBondContact OE1-OH 2.64Å |
| 227 | L | 98.1 | Very high | 96.6 | Very high | 4 Ų | 4 | 47.2 Ų | 47.2 | 2% | 0.021 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.3 | -43.4 | 174.4 | -68.5 | 168.4 | 0 | 0 | 0 | 111.3 | I154 L193 V196 I197 K200 Y201 P216 I218 E223 A224 N230 A231 | I154-L227 HydrophobicContact CD1-CB 4.13Å; I154-L227 HydrophobicContact CD1-CD1 4.34Å; L193-L227 HydrophobicContact CD1-CB 4.05Å; V196-L227 HydrophobicContact CG1-CD2 3.75Å; I197-L227 HydrophobicContact CG1-CD1 4.44Å; K200-L227 HydrophobicContact CD-CD2 4.27Å; Y201-L227 HydrophobicContact CE2-CD1 3.74Å; Y201-L227 HydrophobicContact CE2-CD2 3.88Å; Y201-L227 HydrophobicContact CE2-CG 4.42Å; P216-L227 HydrophobicContact CG-CD1 4.4Å; I218-L227 HydrophobicContact CD1-CD1 4.31Å; E223-L227 VanDerWaalsContact O-CG 3.3Å; E223-L227 WeakPolarHBondContact O-CG 3.46Å; E223-L227 PolarHBondContact O-N 3.26Å; A224-L227 WeakPolarHBondContact O-CB 3.4Å; A224-L227 PolarHBondContact O-N 2.98Å; L227-N230 PolarHBondContact O-N 3.29Å; L227-A231 WeakPolarHBondContact O-CB 3.43Å; L227-A231 PolarHBondContact O-N 2.79Å |
| 228 | L | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.7 | -48.3 | 176.4 | -66.3 | -168.1 | 0 | 0 | 0 | 111.9 | V153 I154 F169 I171 L193 A224 L225 E226 N230 A231 I232 I243 | V153-L228 HydrophobicContact CG2-CD1 4.36Å; V153-L228 HydrophobicContact CG2-CD2 3.46Å; V153-L228 VanDerWaalsContact CG2-CD2 3.46Å; I154-L228 HydrophobicContact CD1-CD2 3.69Å; I154-L228 HydrophobicContact CD1-CG 3.99Å; I154-L228 HydrophobicContact CG1-CD2 4.02Å; F169-L228 HydrophobicContact CB-CD1 3.77Å; I171-L228 HydrophobicContact CG2-CD1 4.27Å; I171-L228 HydrophobicContact CG2-CD2 4.4Å; L193-L228 HydrophobicContact CD1-CD2 4.13Å; L193-L228 HydrophobicContact CD2-CD2 3.66Å; A224-L228 WeakPolarHBondContact O-CG 3.41Å; A224-L228 PolarHBondContact O-N 3.26Å; L225-L228 PolarHBondContact O-N 3Å; E226-L228 VanDerWaalsContact C-N 3.33Å; E226-L228 PolarHBondContact O-N 3.45Å; L228-N230 VanDerWaalsContact C-N 3.28Å; L228-N230 PolarHBondContact O-N 2.93Å; L228-A231 PolarHBondContact O-N 2.71Å; L228-A231 VanDerWaalsContact O-N 3.14Å; L228-I232 WeakPolarHBondContact O-CB 3.09Å; L228-I232 WeakPolarHBondContact O-CD1 3.4Å; L228-I232 WeakPolarHBondContact O-CG1 3.22Å; L228-I232 PolarHBondContact O-N 3.4Å; L228-I243 HydrophobicContact CB-CD1 4.02Å; L228-I243 HydrophobicContact CD1-CD1 4.17Å; L228-I243 HydrophobicContact CD1-CG1 4.32Å; L228-I243 HydrophobicContact CD1-CG2 4.24Å |
| 229 | K | 97.8 | Very high | 97.2 | Very high | 98 Ų | 98 | 52.8 Ų | 52.8 | 43% | 0.426 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -54.7 | -45.8 | 177 | -178.7 | -179.5 | 176.7 | -179.7 | 0 | 111.5 | L225 E226 A233 Y288 | L225-K229 WeakPolarHBondContact O-CB 3.48Å; L225-K229 PolarHBondContact O-N 3.36Å; E226-K229 PolarHBondContact O-N 3.42Å; K229-A233 WeakPolarHBondContact O-CB 3.5Å; K229-A233 PolarHBondContact O-N 3.1Å; K229-Y288 HydrophobicContact CD-CD1 4.27Å; K229-Y288 HydrophobicContact CD-CE1 4.23Å |
| 230 | N | 98 | Very high | 97.5 | Very high | 79 Ų | 79 | 53.4 Ų | 53.4 | 42% | 0.422 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -65.4 | -42.3 | 177.3 | -72.1 | -29.1 | 0 | 0 | 0 | 112.5 | E226 L227 L228 A233 K234 | E226-N230 WeakPolarHBondContact O-CB 3.37Å; E226-N230 VanDerWaalsContact O-CG 3.22Å; E226-N230 PolarHBondContact O-N 3.05Å; E226-N230 PolarHBondContact O-ND2 2.83Å; E226-N230 VanDerWaalsContact O-ND2 3.13Å; L227-N230 PolarHBondContact O-N 3.29Å; L228-N230 VanDerWaalsContact C-N 3.28Å; L228-N230 PolarHBondContact O-N 2.93Å; N230-A233 PolarHBondContact O-N 3.07Å; N230-K234 WeakPolarHBondContact O-CB 3.27Å; N230-K234 WeakPolarHBondContact O-CG 3.44Å; N230-K234 PolarHBondContact O-N 2.86Å |
| 231 | A | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.8 | -42.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | V189 L193 L227 L228 K234 A235 | V189-A231 HydrophobicContact CG1-CB 4.27Å; L193-A231 HydrophobicContact CB-CB 3.67Å; L193-A231 HydrophobicContact CD1-CB 3.91Å; L193-A231 HydrophobicContact CG-CB 4.39Å; L227-A231 WeakPolarHBondContact O-CB 3.43Å; L227-A231 PolarHBondContact O-N 2.79Å; L228-A231 PolarHBondContact O-N 2.71Å; L228-A231 VanDerWaalsContact O-N 3.14Å; A231-K234 PolarHBondContact O-N 3.21Å; A231-A235 WeakPolarHBondContact O-CB 3.38Å; A231-A235 PolarHBondContact O-N 3.4Å |
| 232 | I | 98.6 | Very high | 98 | Very high | 7 Ų | 7 | 48.9 Ų | 48.9 | 4% | 0.036 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.3 | -45 | 176.1 | -68 | 163.4 | 0 | 0 | 0 | 110.4 | I171 V189 L228 A235 G236 Y237 I241 I243 | I171-I232 HydrophobicContact CG2-CD1 4.2Å; V189-I232 HydrophobicContact CG1-CG1 3.83Å; L228-I232 WeakPolarHBondContact O-CB 3.09Å; L228-I232 WeakPolarHBondContact O-CD1 3.4Å; L228-I232 WeakPolarHBondContact O-CG1 3.22Å; L228-I232 PolarHBondContact O-N 3.4Å; I232-A235 PolarHBondContact O-N 3.27Å; I232-G236 PolarHBondContact O-N 3.46Å; I232-Y237 PolarHBondContact O-N 3.33Å; I232-Y237 VanDerWaalsContact O-N 3.1Å; I232-I241 HydrophobicContact CD1-CB 4.29Å; I232-I241 HydrophobicContact CD1-CG2 3.63Å; I232-I241 HydrophobicContact CG1-CB 4.38Å; I232-I241 HydrophobicContact CG1-CD1 4.23Å; I232-I241 HydrophobicContact CG1-CG2 4Å; I232-I241 HydrophobicContact CG2-CB 4.18Å; I232-I241 HydrophobicContact CG2-CD1 4.38Å; I232-I243 HydrophobicContact CD1-CD1 4.47Å; I232-I243 HydrophobicContact CD1-CG1 4.36Å |
| 233 | A | 98.4 | Very high | 98.2 | Very high | 53 Ų | 53 | 44.4 Ų | 44.4 | 44% | 0.438 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -65.2 | -45.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | K229 N230 A235 G236 | K229-A233 WeakPolarHBondContact O-CB 3.5Å; K229-A233 PolarHBondContact O-N 3.1Å; N230-A233 PolarHBondContact O-N 3.07Å; A233-A235 PolarHBondContact O-N 2.83Å; A233-G236 PolarHBondContact O-N 2.82Å |
| 234 | K | 98.3 | Very high | 98.3 | Very high | 120 Ų | 120 | 41.8 Ų | 41.8 | 52% | 0.522 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -59.9 | -32.9 | 176 | -79.8 | -170.9 | 177.8 | -171.8 | 0 | 112.4 | V196 E199 N230 A231 G236 | V196-K234 HydrophobicContact CG2-CD 3.7Å; E199-K234 IonicContact OE2-NZ 2.7Å; E199-K234 PolarHBondContact OE2-NZ 2.82Å; N230-K234 WeakPolarHBondContact O-CB 3.27Å; N230-K234 WeakPolarHBondContact O-CG 3.44Å; N230-K234 PolarHBondContact O-N 2.86Å; A231-K234 PolarHBondContact O-N 3.21Å; K234-G236 VanDerWaalsContact C-N 3.33Å |
| 235 | A | 98.4 | Very high | 98.3 | Very high | 18 Ų | 18 | 41.8 Ų | 41.8 | 15% | 0.149 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -9.5 | 176 | 0 | 0 | 0 | 0 | 0 | 114.1 | V189 N192 A231 I232 A233 Y237 | V189-A235 HydrophobicContact CG2-CB 3.69Å; N192-A235 HydrophobicContact CB-CB 4.38Å; A231-A235 WeakPolarHBondContact O-CB 3.38Å; A231-A235 PolarHBondContact O-N 3.4Å; I232-A235 PolarHBondContact O-N 3.27Å; A233-A235 PolarHBondContact O-N 2.83Å; A235-Y237 HydrophobicContact CB-CD2 3.71Å; A235-Y237 HydrophobicContact CB-CE2 4.13Å; A235-Y237 WeakPolarHBondContact O-CD2 3.43Å; A235-Y237 VanDerWaalsContact O-CE2 3.31Å; A235-Y237 WeakPolarHBondContact O-CE2 3.3Å |
| 236 | G | 98.4 | Very high | 98.3 | Very high | 61 Ų | 61 | 41.8 Ų | 41.8 | 63% | 0.629 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 78.6 | 25.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | I232 A233 K234 | I232-G236 PolarHBondContact O-N 3.46Å; A233-G236 PolarHBondContact O-N 2.82Å; K234-G236 VanDerWaalsContact C-N 3.33Å |
| 237 | Y | 98.6 | Very high | 98.4 | Very high | 27 Ų | 27 | 38.7 Ų | 38.7 | 11% | 0.106 | 22% | 0.22 | C | C | . | . | trans | -119.7 | 24.3 | -173.1 | -62.9 | -54.8 | 0 | 0 | 0 | 115.2 | R184 I185 E188 V189 I232 A235 D239 K240 I241 | R184-Y237 PolarHBondContact NH1-OH 3.13Å; I185-Y237 HydrophobicContact CB-CD2 4.5Å; I185-Y237 HydrophobicContact CB-CE2 4.45Å; I185-Y237 HydrophobicContact CD1-CD1 4.38Å; I185-Y237 HydrophobicContact CD1-CE1 4.31Å; I185-Y237 HydrophobicContact CG1-CD1 4.12Å; I185-Y237 HydrophobicContact CG1-CD2 4.5Å; I185-Y237 HydrophobicContact CG1-CE1 3.82Å; I185-Y237 HydrophobicContact CG1-CE2 4.23Å; I185-Y237 HydrophobicContact CG1-CG 4.46Å; I185-Y237 HydrophobicContact CG2-CD1 4.29Å; I185-Y237 HydrophobicContact CG2-CD2 3.86Å; I185-Y237 HydrophobicContact CG2-CE2 4.29Å; I185-Y237 HydrophobicContact CG2-CG 3.87Å; E188-Y237 HydrophobicContact CB-CE2 4.1Å; E188-Y237 WeakPolarHBondContact OE2-CE2 3.41Å; E188-Y237 VanDerWaalsContact OE2-CZ 3.25Å; E188-Y237 PolarHBondContact OE2-OH 2.75Å; V189-Y237 HydrophobicContact CG2-CD2 3.87Å; I232-Y237 PolarHBondContact O-N 3.33Å; I232-Y237 VanDerWaalsContact O-N 3.1Å; A235-Y237 HydrophobicContact CB-CD2 3.71Å; A235-Y237 HydrophobicContact CB-CE2 4.13Å; A235-Y237 WeakPolarHBondContact O-CD2 3.43Å; A235-Y237 VanDerWaalsContact O-CE2 3.31Å; A235-Y237 WeakPolarHBondContact O-CE2 3.3Å; Y237-D239 PolarHBondContact O-N 3.31Å; Y237-K240 HydrophobicContact CD1-CD 4.09Å; Y237-K240 PolarHBondContact O-N 2.82Å; Y237-I241 PolarHBondContact O-N 3.35Å; Y237-I241 VanDerWaalsContact O-N 3.17Å | ||
| 238 | T | 98.1 | Very high | 98.3 | Very high | 88 Ų | 88 | 38.6 Ų | 38.6 | 54% | 0.54 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | -40.2 | -179.3 | -56.4 | 0 | 0 | 0 | 0 | 113.3 | K240 | T238-K240 VanDerWaalsContact C-N 3.35Š|
| 239 | D | 97.3 | Very high | 98.3 | Very high | 154 Ų | 154 | 38.6 Ų | 38.6 | 82% | 0.824 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | -2.8 | -178.4 | -57.6 | -42.3 | 0 | 0 | 0 | 114.1 | Y237 | Y237-D239 PolarHBondContact O-N 3.31Š|
| 240 | K | 98.3 | Very high | 98.3 | Very high | 73 Ų | 73 | 34.9 Ų | 34.9 | 32% | 0.317 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111.7 | -19.1 | -175.1 | -68 | -163 | 176.8 | -170.7 | 0 | 114.3 | P173 V174 G175 D181 I185 Y237 T238 | P173-K240 CarbonylContact C-O 3.53Å; P173-K240 VanDerWaalsContact C-O 3.32Å; P173-K240 WeakPolarHBondContact CA-O 3.4Å; V174-K240 PolarHBondContact N-O 2.79Å; V174-K240 VanDerWaalsContact N-O 3.16Å; G175-K240 PolarHBondContact N-O 3.39Å; D181-K240 IonicContact OD2-NZ 3.63Å; I185-K240 HydrophobicContact CD1-CD 3.7Å; Y237-K240 HydrophobicContact CD1-CD 4.09Å; Y237-K240 PolarHBondContact O-N 2.82Å; T238-K240 VanDerWaalsContact C-N 3.35Å |
| 241 | I | 98.6 | Very high | 98.1 | Very high | 4 Ų | 4 | 34.4 Ų | 34.4 | 2% | 0.021 | 20% | 0.201 | C | C | . | . | trans | -116.6 | 136.8 | -174.6 | -64.6 | 174.3 | 0 | 0 | 0 | 110.6 | I171 L172 P173 I185 V189 I232 Y237 | I171-I241 HydrophobicContact CB-CG2 3.78Å; I171-I241 HydrophobicContact CG2-CG2 4.08Å; L172-I241 WeakPolarHBondContact O-CA 3.14Å; P173-I241 HydrophobicContact CB-CG1 4.32Å; I185-I241 HydrophobicContact CG2-CD1 3.56Å; I185-I241 HydrophobicContact CG2-CG1 3.76Å; V189-I241 HydrophobicContact CB-CD1 4.17Å; V189-I241 HydrophobicContact CG1-CD1 4.45Å; V189-I241 HydrophobicContact CG2-CD1 3.22Å; I232-I241 HydrophobicContact CD1-CB 4.29Å; I232-I241 HydrophobicContact CD1-CG2 3.63Å; I232-I241 HydrophobicContact CG1-CB 4.38Å; I232-I241 HydrophobicContact CG1-CD1 4.23Å; I232-I241 HydrophobicContact CG1-CG2 4Å; I232-I241 HydrophobicContact CG2-CB 4.18Å; I232-I241 HydrophobicContact CG2-CD1 4.38Å; Y237-I241 PolarHBondContact O-N 3.35Å; Y237-I241 VanDerWaalsContact O-N 3.17Å | ||
| 242 | V | 98.8 | Very high | 98 | Very high | 25 Ų | 25 | 34.5 Ų | 34.5 | 15% | 0.152 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 166.9 | 167.6 | -63.4 | 0 | 0 | 0 | 0 | 109.4 | L172 V174 P289 V291 | L172-V242 HydrophobicContact CB-CG2 3.8Å; L172-V242 PolarHBondContact N-O 2.81Å; L172-V242 PolarHBondContact O-N 3.17Å; V174-V242 HydrophobicContact CB-CG2 4.33Å; V174-V242 HydrophobicContact CG1-CG2 3.61Å; V174-V242 HydrophobicContact CG2-CB 4.41Å; V174-V242 HydrophobicContact CG2-CG1 3.87Å; V174-V242 HydrophobicContact CG2-CG2 3.72Å; V242-P289 WeakPolarHBondContact CB-O 3.21Å; V242-P289 HydrophobicContact CG1-CB 4.49Å; V242-V291 HydrophobicContact CB-CB 4.43Å; V242-V291 HydrophobicContact CB-CG1 3.81Å; V242-V291 HydrophobicContact CB-CG2 3.75Å; V242-V291 HydrophobicContact CG1-CG1 3.93Å; V242-V291 HydrophobicContact CG2-CB 4.4Å; V242-V291 HydrophobicContact CG2-CG1 4.2Å; V242-V291 HydrophobicContact CG2-CG2 3.34Å |
| 243 | I | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 138.5 | -175.8 | -64.7 | 172.8 | 0 | 0 | 0 | 110.1 | M170 L225 L228 I232 M245 P289 V290 V291 | M170-I243 WeakPolarHBondContact O-CA 3.42Å; L225-I243 HydrophobicContact CD2-CD1 4.13Å; L225-I243 HydrophobicContact CD2-CG2 3.84Å; L228-I243 HydrophobicContact CB-CD1 4.02Å; L228-I243 HydrophobicContact CD1-CD1 4.17Å; L228-I243 HydrophobicContact CD1-CG1 4.32Å; L228-I243 HydrophobicContact CD1-CG2 4.24Å; I232-I243 HydrophobicContact CD1-CD1 4.47Å; I232-I243 HydrophobicContact CD1-CG1 4.36Å; I243-M245 HydrophobicContact CG2-CG 4.26Å; I243-P289 HydrophobicContact CD1-CG 4.26Å; I243-P289 HydrophobicContact CG1-CG 4.35Å; I243-P289 PolarHBondContact N-O 2.95Å; I243-V290 HydrophobicContact CB-CG2 4.11Å; I243-V290 HydrophobicContact CG2-CG2 3.98Å; I243-V290 CarbonylContact O-C 3.57Å; I243-V290 WeakPolarHBondContact O-CA 3.31Å; I243-V291 PolarHBondContact O-N 3.49Å |
| 244 | G | 98.8 | Very high | 97.9 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.01 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 155.1 | 165.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | M170 S292 | M170-G244 WeakPolarHBondContact CA-O 3.04Å; M170-G244 PolarHBondContact N-O 3.4Å; M170-G244 PolarHBondContact O-N 3.17Å; G244-S292 CarbonylContact C-O 3.59Å; G244-S292 VanDerWaalsContact CA-O 3.3Å; G244-S292 WeakPolarHBondContact CA-O 3.46Å |
| 245 | M | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 139.5 | 176.8 | -61.3 | 174.9 | 59.2 | 0 | 0 | 109.4 | M166 E168 F169 L225 I243 F284 V290 S292 I293 E294 | M166-M245 HydrophobicContact SD-CE 3.27Å; M166-M245 WeakPolarHBondContact SD-CE 3.37Å; E168-M245 WeakPolarHBondContact O-CA 3.26Å; F169-M245 HydrophobicContact CD1-CE 4.14Å; F169-M245 HydrophobicContact CD1-CG 4.25Å; F169-M245 HydrophobicContact CE1-CE 3.55Å; F169-M245 HydrophobicContact CE1-SD 4.41Å; F169-M245 HydrophobicContact CZ-CE 4.12Å; L225-M245 HydrophobicContact CD1-SD 4.34Å; L225-M245 HydrophobicContact CD2-SD 4.05Å; I243-M245 HydrophobicContact CG2-CG 4.26Å; M245-F284 HydrophobicContact CE-CD2 3.93Å; M245-F284 HydrophobicContact CE-CE2 4.15Å; M245-F284 HydrophobicContact SD-CD2 4.2Å; M245-V290 HydrophobicContact CG-CG1 4.46Å; M245-V290 HydrophobicContact SD-CG1 4.15Å; M245-V290 HydrophobicContact SD-CG2 4.05Å; M245-S292 PolarHBondContact N-O 2.66Å; M245-I293 CarbonylContact O-C 3.59Å; M245-I293 WeakPolarHBondContact O-CA 3.34Å; M245-E294 WeakPolarHBondContact O-CB 3.39Å; M245-E294 PolarHBondContact O-N 3.18Å |
| 246 | D | 98.4 | Very high | 97.4 | Very high | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 116.6 | 158.7 | 169.6 | 23.5 | 0 | 0 | 0 | 107.8 | Q167 E168 M170 A248 E294 K395 | Q167-D246 PolarHBondContact N-O 3.16Å; Q167-D246 PolarHBondContact NE2-OD2 2.93Å; E168-D246 HydrophobicContact CB-CB 3.93Å; E168-D246 HydrophobicContact CG-CB 4.03Å; E168-D246 PolarHBondContact N-O 2.96Å; E168-D246 PolarHBondContact O-N 2.55Å; M170-D246 HydrophobicContact CE-CB 4.2Å; D246-A248 PolarHBondContact OD1-N 3.48Å; D246-E294 HydrophobicContact CB-CB 4Å; D246-E294 HydrophobicContact CB-CG 4.12Å; D246-E294 VanDerWaalsContact CG-OE1 3.27Å; D246-K395 IonicContact OD2-NZ 3.51Å; D246-K395 PolarHBondContact OD2-NZ 3.46Å |
| 247 | V | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 22% | 0.222 | C | C | . | . | trans | -83.9 | -36.7 | -178.2 | -176.7 | 0 | 0 | 0 | 0 | 109.8 | M166 Q167 A249 F252 Y281 I293 E294 D295 | M166-V247 HydrophobicContact CE-CG1 4.44Å; M166-V247 HydrophobicContact CG-CB 4.4Å; M166-V247 HydrophobicContact CG-CG1 3.84Å; M166-V247 HydrophobicContact CG-CG2 4.43Å; M166-V247 HydrophobicContact SD-CG1 4.47Å; M166-V247 HydrophobicContact SD-CG2 4.3Å; Q167-V247 PolarHBondContact N-O 3.41Å; V247-A249 VanDerWaalsContact C-N 3.34Å; V247-A249 HydrophobicContact CG1-CB 4.06Å; V247-F252 HydrophobicContact CG1-CE1 3.94Å; V247-F252 HydrophobicContact CG1-CZ 3.48Å; V247-F252 VanDerWaalsContact CG1-CZ 3.48Å; V247-F252 WeakPolarHBondContact O-CE1 3.48Å; V247-Y281 HydrophobicContact CG1-CE1 4.25Å; V247-Y281 WeakPolarHBondContact CG1-OH 3.46Å; V247-Y281 HydrophobicContact CG2-CE1 3.76Å; V247-I293 HydrophobicContact CG2-CG2 3.75Å; V247-E294 PolarHBondContact N-O 2.52Å; V247-D295 WeakPolarHBondContact CB-O 3.5Å | ||
| 248 | A | 96.9 | Very high | 97.4 | Very high | 2 Ų | 2 | 37.9 Ų | 37.9 | 2% | 0.017 | 22% | 0.217 | C | C | . | . | trans | 49.9 | 50.4 | -170.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q167 D246 S250 E251 | Q167-A248 HydrophobicContact CB-CB 3.78Å; Q167-A248 HydrophobicContact CG-CB 4.4Å; D246-A248 PolarHBondContact OD1-N 3.48Å; A248-S250 PolarHBondContact O-N 3.49Å; A248-S250 VanDerWaalsContact O-N 3.09Å; A248-E251 HydrophobicContact CB-CG 4.25Å; A248-E251 WeakPolarHBondContact O-CB 3.26Å; A248-E251 PolarHBondContact O-N 2.89Å | ||
| 249 | A | 98 | Very high | 97.4 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | -62.5 | -22 | -168.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | V247 E251 F252 Y253 Y258 D295 | V247-A249 VanDerWaalsContact C-N 3.34Å; V247-A249 HydrophobicContact CG1-CB 4.06Å; A249-E251 PolarHBondContact O-N 3.27Å; A249-F252 HydrophobicContact CB-CE1 4.39Å; A249-F252 HydrophobicContact CB-CE2 4.01Å; A249-F252 HydrophobicContact CB-CZ 3.79Å; A249-F252 CarbonylContact O-C 3.51Å; A249-F252 PolarHBondContact O-N 2.98Å; A249-Y253 PolarHBondContact O-N 2.75Å; A249-Y253 VanDerWaalsContact O-N 3.09Å; A249-Y258 HydrophobicContact CB-CD1 4.13Å; A249-Y258 HydrophobicContact CB-CE1 3.85Å; A249-D295 VanDerWaalsContact CB-O 3.25Å; A249-D295 WeakPolarHBondContact CB-O 3.26Å; A249-D295 PolarHBondContact N-O 3.36Å; A249-D295 VanDerWaalsContact N-O 3.08Å |
| 250 | S | 97 | Very high | 97.4 | Very high | 19 Ų | 19 | 28 Ų | 28 | 13% | 0.133 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | -56.9 | -32.5 | 172.3 | -82.2 | 0 | 0 | 0 | 0 | 113.3 | A248 F252 Y253 D298 Q299 | A248-S250 PolarHBondContact O-N 3.49Å; A248-S250 VanDerWaalsContact O-N 3.09Å; S250-F252 PolarHBondContact O-N 2.84Å; S250-Y253 PolarHBondContact O-N 3.4Å; S250-D298 WeakPolarHBondContact CA-OD1 3.47Å; S250-D298 WeakPolarHBondContact CB-OD1 3.39Å; S250-D298 WeakPolarHBondContact OG-CA 3.47Å; S250-D298 PolarHBondContact OG-OD1 3.46Å; S250-Q299 PolarHBondContact OG-N 2.96Å |
| 251 | E | 95.2 | Very high | 97.3 | Very high | 70 Ų | 70 | 26 Ų | 26 | 33% | 0.327 | 15% | 0.153 | S | C | . | . | G | 310 helix | trans | -66 | -24 | -178.3 | -64.9 | -66.9 | 112.5 | 0 | 0 | 112.8 | S158 A248 A249 | S158-E251 PolarHBondContact OG-OE2 2.97Å; A248-E251 HydrophobicContact CB-CG 4.25Å; A248-E251 WeakPolarHBondContact O-CB 3.26Å; A248-E251 PolarHBondContact O-N 2.89Å; A249-E251 PolarHBondContact O-N 3.27Å |
| 252 | F | 96.7 | Very high | 97.1 | Very high | 1 Ų | 1 | 27.7 Ų | 27.7 | 0% | 0.004 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | -123.9 | 17.5 | -179.1 | 59.1 | -102.7 | 0 | 0 | 0 | 113.6 | A165 V247 A249 S250 Y258 D259 L260 F262 L277 | A165-F252 HydrophobicContact CB-CD1 4.3Å; A165-F252 HydrophobicContact CB-CE1 4.38Å; V247-F252 HydrophobicContact CG1-CE1 3.94Å; V247-F252 HydrophobicContact CG1-CZ 3.48Å; V247-F252 VanDerWaalsContact CG1-CZ 3.48Å; V247-F252 WeakPolarHBondContact O-CE1 3.48Å; A249-F252 HydrophobicContact CB-CE1 4.39Å; A249-F252 HydrophobicContact CB-CE2 4.01Å; A249-F252 HydrophobicContact CB-CZ 3.79Å; A249-F252 CarbonylContact O-C 3.51Å; A249-F252 PolarHBondContact O-N 2.98Å; S250-F252 PolarHBondContact O-N 2.84Å; F252-Y258 AromaticContact CD2-CD1 3.9Å; F252-Y258 HydrophobicContact CD2-CD1 3.9Å; F252-Y258 HydrophobicContact CD2-CG 4.4Å; F252-Y258 AromaticContact CE2-CD1 3.76Å; F252-Y258 HydrophobicContact CE2-CD1 3.76Å; F252-Y258 HydrophobicContact CE2-CG 4.23Å; F252-Y258 WeakPolarHBondContact O-CA 3.26Å; F252-D259 VanDerWaalsContact CB-O 3.29Å; F252-D259 WeakPolarHBondContact CB-O 3.49Å; F252-D259 PolarHBondContact O-N 3.11Å; F252-L260 HydrophobicContact CD2-CD2 4.38Å; F252-L260 HydrophobicContact CE2-CD2 3.81Å; F252-L260 HydrophobicContact CZ-CD2 4.02Å; F252-F262 HydrophobicContact CB-CB 3.79Å; F252-F262 HydrophobicContact CB-CD1 3.51Å; F252-F262 HydrophobicContact CB-CD2 4.44Å; F252-F262 HydrophobicContact CB-CE1 4.14Å; F252-F262 HydrophobicContact CB-CG 3.67Å; F252-F262 HydrophobicContact CD1-CD1 4.27Å; F252-F262 HydrophobicContact CD1-CE1 4.2Å; F252-F262 HydrophobicContact CG-CD1 4.26Å; F252-L277 HydrophobicContact CE2-CD2 4.39Å |
| 253 | Y | 97.8 | Very high | 96.9 | Very high | 78 Ų | 78 | 29.7 Ų | 29.7 | 31% | 0.306 | 17% | 0.167 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 131.1 | 170.8 | -178.9 | -114.1 | 0 | 0 | 0 | 111 | A249 S250 G256 K257 Y258 D298 | A249-Y253 PolarHBondContact O-N 2.75Å; A249-Y253 VanDerWaalsContact O-N 3.09Å; S250-Y253 PolarHBondContact O-N 3.4Å; Y253-G256 VanDerWaalsContact CZ-N 3.3Å; Y253-G256 VanDerWaalsContact OH-CA 3.24Å; Y253-G256 WeakPolarHBondContact OH-CA 3.5Å; Y253-G256 PolarHBondContact OH-N 3.37Å; Y253-K257 CarbonylContact C-O 3.57Å; Y253-K257 WeakPolarHBondContact CA-O 3.41Å; Y253-K257 WeakPolarHBondContact CD2-O 3.12Å; Y253-Y258 HydrophobicContact CD2-CD1 4.04Å; Y253-Y258 AromaticContact CD2-CE1 3.56Å; Y253-Y258 HydrophobicContact CD2-CE1 3.56Å; Y253-Y258 HydrophobicContact CD2-CE2 4.21Å; Y253-Y258 AromaticContact CD2-CZ 3.64Å; Y253-Y258 HydrophobicContact CE2-CE1 4.46Å; Y253-Y258 HydrophobicContact CE2-CE2 4.45Å; Y253-Y258 HydrophobicContact CG-CE1 4.25Å; Y253-D298 HydrophobicContact CD1-CB 3.91Å; Y253-D298 HydrophobicContact CD2-CB 3.82Å; Y253-D298 HydrophobicContact CE1-CB 4.32Å; Y253-D298 HydrophobicContact CE2-CB 4.24Å; Y253-D298 HydrophobicContact CG-CB 3.62Å |
| 254 | K | 96.2 | Very high | 96.7 | Very high | 76 Ų | 76 | 30.5 Ų | 30.5 | 33% | 0.33 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 90.8 | -174.3 | -60.6 | -67.2 | -179.1 | 173.5 | 0 | 110.1 | G256 K257 D259 D266 Y271 | K254-G256 PolarHBondContact O-N 2.76Å; K254-K257 PolarHBondContact N-O 3.38Å; K254-K257 PolarHBondContact O-N 3.14Å; K254-K257 VanDerWaalsContact O-N 3.16Å; K254-D259 HydrophobicContact CG-CB 4.1Å; K254-D266 IonicContact NZ-OD1 3.66Å; K254-Y271 HydrophobicContact CB-CD2 3.81Å; K254-Y271 HydrophobicContact CB-CE2 3.45Å; K254-Y271 VanDerWaalsContact CB-CE2 3.45Å; K254-Y271 HydrophobicContact CG-CD2 4.49Å; K254-Y271 HydrophobicContact CG-CE1 4.36Å; K254-Y271 HydrophobicContact CG-CE2 3.9Å |
| 255 | G | 89.6 | Confident | 96.5 | Very high | 84 Ų | 84 | 36 Ų | 36 | 87% | 0.866 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.6 | 47 | 168.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 256 | G | 96.4 | Very high | 96.4 | Very high | 31 Ų | 31 | 41 Ų | 41 | 32% | 0.32 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 92.1 | 1.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115 | Y253 K254 | Y253-G256 VanDerWaalsContact CZ-N 3.3Å; Y253-G256 VanDerWaalsContact OH-CA 3.24Å; Y253-G256 WeakPolarHBondContact OH-CA 3.5Å; Y253-G256 PolarHBondContact OH-N 3.37Å; K254-G256 PolarHBondContact O-N 2.76Å |
| 257 | K | 98.4 | Very high | 96.3 | Very high | 88 Ų | 88 | 44.3 Ų | 44.3 | 38% | 0.383 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 176.9 | 178.3 | -63.7 | -171.2 | 176.3 | -172.8 | 0 | 111 | Y253 K254 Y271 I272 | Y253-K257 CarbonylContact C-O 3.57Å; Y253-K257 WeakPolarHBondContact CA-O 3.41Å; Y253-K257 WeakPolarHBondContact CD2-O 3.12Å; K254-K257 PolarHBondContact N-O 3.38Å; K254-K257 PolarHBondContact O-N 3.14Å; K254-K257 VanDerWaalsContact O-N 3.16Å; K257-Y271 HydrophobicContact CB-CD2 4.47Å; K257-I272 CarbonylContact C-O 3.58Å; K257-I272 WeakPolarHBondContact CA-O 2.87Å; K257-I272 WeakPolarHBondContact CB-O 3.45Å |
| 258 | Y | 98.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 137.5 | -176.4 | -62.7 | -86.4 | 0 | 0 | 0 | 111.5 | A249 F252 Y253 Y271 I272 P274 L277 F297 D298 D301 | A249-Y258 HydrophobicContact CB-CD1 4.13Å; A249-Y258 HydrophobicContact CB-CE1 3.85Å; F252-Y258 AromaticContact CD2-CD1 3.9Å; F252-Y258 HydrophobicContact CD2-CD1 3.9Å; F252-Y258 HydrophobicContact CD2-CG 4.4Å; F252-Y258 AromaticContact CE2-CD1 3.76Å; F252-Y258 HydrophobicContact CE2-CD1 3.76Å; F252-Y258 HydrophobicContact CE2-CG 4.23Å; F252-Y258 WeakPolarHBondContact O-CA 3.26Å; Y253-Y258 HydrophobicContact CD2-CD1 4.04Å; Y253-Y258 AromaticContact CD2-CE1 3.56Å; Y253-Y258 HydrophobicContact CD2-CE1 3.56Å; Y253-Y258 HydrophobicContact CD2-CE2 4.21Å; Y253-Y258 AromaticContact CD2-CZ 3.64Å; Y253-Y258 HydrophobicContact CE2-CE1 4.46Å; Y253-Y258 HydrophobicContact CE2-CE2 4.45Å; Y253-Y258 HydrophobicContact CG-CE1 4.25Å; Y258-Y271 WeakPolarHBondContact O-CA 3.19Å; Y258-I272 PolarHBondContact N-O 3.16Å; Y258-I272 PolarHBondContact O-N 2.54Å; Y258-P274 HydrophobicContact CE2-CB 4.04Å; Y258-P274 HydrophobicContact CE2-CG 3.9Å; Y258-L277 HydrophobicContact CD1-CD2 3.83Å; Y258-L277 HydrophobicContact CD2-CB 4.49Å; Y258-L277 HydrophobicContact CD2-CD2 3.63Å; Y258-L277 HydrophobicContact CE1-CD2 4.23Å; Y258-L277 HydrophobicContact CE2-CD2 4.07Å; Y258-L277 HydrophobicContact CG-CD2 3.51Å; Y258-F297 HydrophobicContact CE2-CD1 4.06Å; Y258-F297 AromaticContact CZ-CD1 3.96Å; Y258-F297 WeakPolarHBondContact OH-CB 3.47Å; Y258-D298 HydrophobicContact CE1-CB 4.23Å; Y258-D298 PolarHBondContact OH-N 2.81Å; Y258-D301 PolarHBondContact OH-OD2 3.38Å |
| 259 | D | 98 | Very high | 96.2 | Very high | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.005 | 31% | 0.311 | C | S | . | . | trans | -109.1 | 98.2 | 179.7 | -174.6 | 4.3 | 0 | 0 | 0 | 112.4 | F252 K254 D261 F262 R270 Y271 | F252-D259 VanDerWaalsContact CB-O 3.29Å; F252-D259 WeakPolarHBondContact CB-O 3.49Å; F252-D259 PolarHBondContact O-N 3.11Å; K254-D259 HydrophobicContact CG-CB 4.1Å; D259-D261 PolarHBondContact O-N 2.88Å; D259-D261 VanDerWaalsContact O-N 3.08Å; D259-D261 PolarHBondContact OD1-N 2.78Å; D259-F262 HydrophobicContact CB-CB 4.06Å; D259-F262 WeakPolarHBondContact O-CB 3.35Å; D259-F262 PolarHBondContact O-N 2.93Å; D259-F262 PolarHBondContact OD1-N 2.89Å; D259-F262 VanDerWaalsContact OD2-CA 3.26Å; D259-F262 WeakPolarHBondContact OD2-CA 3.38Å; D259-F262 PolarHBondContact OD2-N 3.38Å; D259-R270 VanDerWaalsContact CG-NE 3.33Å; D259-R270 WeakPolarHBondContact OD1-CD 3.35Å; D259-R270 IonicContact OD1-CZ 2.62Å; D259-R270 IonicContact OD1-NE 2.87Å; D259-R270 PolarHBondContact OD1-NE 3.49Å; D259-R270 IonicContact OD1-NH2 3.72Å; D259-R270 IonicContact OD2-CZ 3.9Å; D259-R270 IonicContact OD2-NE 2.82Å; D259-R270 PolarHBondContact OD2-NE 2.96Å; D259-R270 IonicContact OD2-NH2 3.49Å; D259-R270 PolarHBondContact OD2-NH2 2.8Å; D259-Y271 HydrophobicContact CB-CD1 3.62Å; D259-Y271 HydrophobicContact CB-CE1 3.51Å; D259-Y271 VanDerWaalsContact CG-CE1 3.41Å; D259-Y271 VanDerWaalsContact OD2-CE1 3.31Å; D259-Y271 WeakPolarHBondContact OD2-CE1 3.44Å | ||
| 260 | L | 97.3 | Very high | 96.1 | Very high | 35 Ų | 35 | 55.9 Ų | 55.9 | 18% | 0.183 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | 3.3 | 179.1 | -61.7 | -178.2 | 0 | 0 | 0 | 114.7 | A165 M166 F252 I272 L277 L280 | A165-L260 HydrophobicContact CB-CB 4.37Å; A165-L260 HydrophobicContact CB-CD2 4.26Å; A165-L260 VanDerWaalsContact CB-O 3.23Å; A165-L260 WeakPolarHBondContact CB-O 3.38Å; M166-L260 HydrophobicContact CE-CD2 4.46Å; F252-L260 HydrophobicContact CD2-CD2 4.38Å; F252-L260 HydrophobicContact CE2-CD2 3.81Å; F252-L260 HydrophobicContact CZ-CD2 4.02Å; L260-I272 HydrophobicContact CD1-CD1 3.6Å; L260-I272 HydrophobicContact CG-CD1 3.97Å; L260-L277 HydrophobicContact CD1-CD1 4.47Å; L260-L277 HydrophobicContact CD2-CD1 4.11Å; L260-L280 HydrophobicContact CD1-CD2 3.57Å |
| 261 | D | 96.1 | Very high | 96.1 | Very high | 29 Ų | 29 | 56.2 Ų | 56.2 | 16% | 0.155 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -131.3 | 33 | 172.2 | -175.1 | 32.8 | 0 | 0 | 0 | 110.9 | L219 D259 K263 S264 R270 | L219-D261 HydrophobicContact CD1-CB 3.98Å; L219-D261 WeakPolarHBondContact CD1-OD1 3.14Å; D259-D261 PolarHBondContact O-N 2.88Å; D259-D261 VanDerWaalsContact O-N 3.08Å; D259-D261 PolarHBondContact OD1-N 2.78Å; D261-K263 PolarHBondContact O-N 2.82Å; D261-S264 VanDerWaalsContact CG-CB 3.45Å; D261-S264 WeakPolarHBondContact O-CB 3.24Å; D261-S264 PolarHBondContact O-N 2.93Å; D261-S264 VanDerWaalsContact OD1-CB 3.28Å; D261-S264 WeakPolarHBondContact OD1-CB 3.25Å; D261-S264 PolarHBondContact OD1-OG 2.64Å; D261-S264 WeakPolarHBondContact OD2-CB 3.44Å; D261-S264 PolarHBondContact OD2-OG 3.06Å; D261-S264 VanDerWaalsContact OD2-OG 3.11Å; D261-R270 VanDerWaalsContact O-CZ 3.22Å; D261-R270 PolarHBondContact O-NH1 2.98Å; D261-R270 PolarHBondContact O-NH2 3.45Å; D261-R270 IonicContact OD2-CZ 2.72Å; D261-R270 IonicContact OD2-NH1 3.25Å; D261-R270 PolarHBondContact OD2-NH1 2.85Å |
| 262 | F | 95.7 | Very high | 96.3 | Very high | 40 Ų | 40 | 54.6 Ų | 54.6 | 18% | 0.175 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -15 | -175.4 | 80.1 | -82.5 | 0 | 0 | 0 | 116.2 | A165 F252 D259 | A165-F262 HydrophobicContact CB-CD1 4.02Å; A165-F262 HydrophobicContact CB-CE1 4.09Å; F252-F262 HydrophobicContact CB-CB 3.79Å; F252-F262 HydrophobicContact CB-CD1 3.51Å; F252-F262 HydrophobicContact CB-CD2 4.44Å; F252-F262 HydrophobicContact CB-CE1 4.14Å; F252-F262 HydrophobicContact CB-CG 3.67Å; F252-F262 HydrophobicContact CD1-CD1 4.27Å; F252-F262 HydrophobicContact CD1-CE1 4.2Å; F252-F262 HydrophobicContact CG-CD1 4.26Å; D259-F262 HydrophobicContact CB-CB 4.06Å; D259-F262 WeakPolarHBondContact O-CB 3.35Å; D259-F262 PolarHBondContact O-N 2.93Å; D259-F262 PolarHBondContact OD1-N 2.89Å; D259-F262 VanDerWaalsContact OD2-CA 3.26Å; D259-F262 WeakPolarHBondContact OD2-CA 3.38Å; D259-F262 PolarHBondContact OD2-N 3.38Å |
| 263 | K | 94.1 | Very high | 96.4 | Very high | 68 Ų | 68 | 56.8 Ų | 56.8 | 30% | 0.296 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -12 | 175.9 | -68.5 | -174.6 | -78.3 | -174.5 | 0 | 113.1 | G157 A160 N162 K163 L164 D261 | G157-K263 PolarHBondContact O-NZ 2.95Å; A160-K263 PolarHBondContact O-NZ 2.75Å; A160-K263 VanDerWaalsContact O-NZ 3.15Å; N162-K263 VanDerWaalsContact O-CD 3.3Å; N162-K263 WeakPolarHBondContact O-CD 3.33Å; N162-K263 WeakPolarHBondContact O-CE 3.12Å; N162-K263 PolarHBondContact O-NZ 2.66Å; N162-K263 PolarHBondContact OD1-NZ 2.69Å; K163-K263 WeakPolarHBondContact O-CE 3.43Å; L164-K263 WeakPolarHBondContact O-CE 3.3Å; L164-K263 PolarHBondContact O-NZ 3.17Å; D261-K263 PolarHBondContact O-N 2.82Å |
| 264 | S | 93.9 | Very high | 96.4 | Very high | 16 Ų | 16 | 54.4 Ų | 54.4 | 11% | 0.112 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -90.6 | 163.5 | 168 | -63.5 | 0 | 0 | 0 | 0 | 110 | K163 D261 D266 R270 | K163-S264 PolarHBondContact NZ-OG 2.68Å; K163-S264 VanDerWaalsContact NZ-OG 3.16Å; D261-S264 VanDerWaalsContact CG-CB 3.45Å; D261-S264 WeakPolarHBondContact O-CB 3.24Å; D261-S264 PolarHBondContact O-N 2.93Å; D261-S264 VanDerWaalsContact OD1-CB 3.28Å; D261-S264 WeakPolarHBondContact OD1-CB 3.25Å; D261-S264 PolarHBondContact OD1-OG 2.64Å; D261-S264 WeakPolarHBondContact OD2-CB 3.44Å; D261-S264 PolarHBondContact OD2-OG 3.06Å; D261-S264 VanDerWaalsContact OD2-OG 3.11Å; S264-D266 PolarHBondContact O-N 3.41Å; S264-R270 PolarHBondContact O-NH2 2.9Å |
| 265 | P | 95.4 | Very high | 96.5 | Very high | 117 Ų | 117 | 55.2 Ų | 55.2 | 76% | 0.76 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -47.6 | 139.9 | 175.3 | -29.1 | 36 | 0 | 0 | 0 | 112.6 | D267 R270 | P265-D267 PolarHBondContact O-N 2.7Å; P265-R270 PolarHBondContact O-NH1 2.87Å; P265-R270 VanDerWaalsContact O-NH1 3.13Å; P265-R270 PolarHBondContact O-NH2 2.83Å |
| 266 | D | 95.8 | Very high | 96.9 | Very high | 105 Ų | 105 | 56.2 Ų | 56.2 | 56% | 0.561 | 31% | 0.311 | S | S | * | . | P | Polyproline II helix | trans | -59.8 | 127.3 | -172.8 | -156.3 | 77.8 | 0 | 0 | 0 | 111.3 | K254 S264 Y271 | K254-D266 IonicContact NZ-OD1 3.66Å; S264-D266 PolarHBondContact O-N 3.41Å; D266-Y271 PolarHBondContact OD1-OH 2.78Å; D266-Y271 PolarHBondContact OD2-OH 3.47Å |
| 267 | D | 96.3 | Very high | 97 | Very high | 70 Ų | 70 | 54.7 Ų | 54.7 | 37% | 0.374 | 30% | 0.296 | S | S | . | . | trans | -141.8 | 100.4 | 176.5 | -179 | -5.1 | 0 | 0 | 0 | 110.2 | P265 S269 R270 Y271 | P265-D267 PolarHBondContact O-N 2.7Å; D267-S269 VanDerWaalsContact CG-OG 3.24Å; D267-S269 PolarHBondContact O-N 2.77Å; D267-S269 VanDerWaalsContact OD1-CB 3.27Å; D267-S269 WeakPolarHBondContact OD1-CB 3.28Å; D267-S269 PolarHBondContact OD1-N 3.49Å; D267-S269 PolarHBondContact OD1-OG 2.82Å; D267-S269 PolarHBondContact OD2-OG 2.61Å; D267-R270 HydrophobicContact CB-CG 4.11Å; D267-R270 WeakPolarHBondContact O-CG 2.74Å; D267-R270 PolarHBondContact O-N 2.97Å; D267-Y271 WeakPolarHBondContact O-CD1 3.49Å; D267-Y271 WeakPolarHBondContact O-CE1 3.49Å | ||
| 268 | P | 96.3 | Very high | 97.1 | Very high | 81 Ų | 81 | 50.9 Ų | 50.9 | 53% | 0.526 | 28% | 0.281 | S | S | . | . | G | 310 helix | trans | -61.7 | -15.6 | -179.4 | -26.5 | 35.8 | 0 | 0 | 0 | 115.5 | R270 Y271 | P268-R270 VanDerWaalsContact C-N 3.32Å; P268-Y271 HydrophobicContact CB-CD2 4.15Å; P268-Y271 HydrophobicContact CB-CE2 3.94Å; P268-Y271 HydrophobicContact CG-CE2 4.19Å; P268-Y271 PolarHBondContact O-N 3.12Å |
| 269 | S | 96.7 | Very high | 97 | Very high | 101 Ų | 101 | 55.3 Ų | 55.3 | 71% | 0.706 | 31% | 0.305 | S | S | * | . | G | 310 helix | trans | -73.2 | -23.5 | 179.8 | 75.7 | 0 | 0 | 0 | 0 | 113.3 | D267 | D267-S269 VanDerWaalsContact CG-OG 3.24Å; D267-S269 PolarHBondContact O-N 2.77Å; D267-S269 VanDerWaalsContact OD1-CB 3.27Å; D267-S269 WeakPolarHBondContact OD1-CB 3.28Å; D267-S269 PolarHBondContact OD1-N 3.49Å; D267-S269 PolarHBondContact OD1-OG 2.82Å; D267-S269 PolarHBondContact OD2-OG 2.61Å |
| 270 | R | 95.8 | Very high | 97.1 | Very high | 64 Ų | 64 | 57.5 Ų | 57.5 | 24% | 0.242 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -87.2 | -4.5 | 175 | 59.4 | 167 | -166.7 | -132.1 | -9.5 | 114 | D259 D261 S264 P265 D267 P268 I272 | D259-R270 VanDerWaalsContact CG-NE 3.33Å; D259-R270 WeakPolarHBondContact OD1-CD 3.35Å; D259-R270 IonicContact OD1-CZ 2.62Å; D259-R270 IonicContact OD1-NE 2.87Å; D259-R270 PolarHBondContact OD1-NE 3.49Å; D259-R270 IonicContact OD1-NH2 3.72Å; D259-R270 IonicContact OD2-CZ 3.9Å; D259-R270 IonicContact OD2-NE 2.82Å; D259-R270 PolarHBondContact OD2-NE 2.96Å; D259-R270 IonicContact OD2-NH2 3.49Å; D259-R270 PolarHBondContact OD2-NH2 2.8Å; D261-R270 VanDerWaalsContact O-CZ 3.22Å; D261-R270 PolarHBondContact O-NH1 2.98Å; D261-R270 PolarHBondContact O-NH2 3.45Å; D261-R270 IonicContact OD2-CZ 2.72Å; D261-R270 IonicContact OD2-NH1 3.25Å; D261-R270 PolarHBondContact OD2-NH1 2.85Å; S264-R270 PolarHBondContact O-NH2 2.9Å; P265-R270 PolarHBondContact O-NH1 2.87Å; P265-R270 VanDerWaalsContact O-NH1 3.13Å; P265-R270 PolarHBondContact O-NH2 2.83Å; D267-R270 HydrophobicContact CB-CG 4.11Å; D267-R270 WeakPolarHBondContact O-CG 2.74Å; D267-R270 PolarHBondContact O-N 2.97Å; P268-R270 VanDerWaalsContact C-N 3.32Å; R270-I272 PolarHBondContact O-N 2.84Å |
| 271 | Y | 98.1 | Very high | 97.1 | Very high | 25 Ų | 25 | 55.9 Ų | 55.9 | 10% | 0.098 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -70.7 | 131 | -177.3 | -62.9 | -4.2 | 0 | 0 | 0 | 111.4 | K254 K257 Y258 D259 D266 D267 P268 | K254-Y271 HydrophobicContact CB-CD2 3.81Å; K254-Y271 HydrophobicContact CB-CE2 3.45Å; K254-Y271 VanDerWaalsContact CB-CE2 3.45Å; K254-Y271 HydrophobicContact CG-CD2 4.49Å; K254-Y271 HydrophobicContact CG-CE1 4.36Å; K254-Y271 HydrophobicContact CG-CE2 3.9Å; K257-Y271 HydrophobicContact CB-CD2 4.47Å; Y258-Y271 WeakPolarHBondContact O-CA 3.19Å; D259-Y271 HydrophobicContact CB-CD1 3.62Å; D259-Y271 HydrophobicContact CB-CE1 3.51Å; D259-Y271 VanDerWaalsContact CG-CE1 3.41Å; D259-Y271 VanDerWaalsContact OD2-CE1 3.31Å; D259-Y271 WeakPolarHBondContact OD2-CE1 3.44Å; D266-Y271 PolarHBondContact OD1-OH 2.78Å; D266-Y271 PolarHBondContact OD2-OH 3.47Å; D267-Y271 WeakPolarHBondContact O-CD1 3.49Å; D267-Y271 WeakPolarHBondContact O-CE1 3.49Å; P268-Y271 HydrophobicContact CB-CD2 4.15Å; P268-Y271 HydrophobicContact CB-CE2 3.94Å; P268-Y271 HydrophobicContact CG-CE2 4.19Å; P268-Y271 PolarHBondContact O-N 3.12Å |
| 272 | I | 98.5 | Very high | 97.2 | Very high | 36 Ų | 36 | 58.3 Ų | 58.3 | 19% | 0.185 | 32% | 0.317 | C | S | . | . | B | Isolated β-bridge | trans | -103.4 | 150.2 | -179.8 | 63 | 172.5 | 0 | 0 | 0 | 111.4 | K257 Y258 L260 R270 Q276 L277 | K257-I272 CarbonylContact C-O 3.58Å; K257-I272 WeakPolarHBondContact CA-O 2.87Å; K257-I272 WeakPolarHBondContact CB-O 3.45Å; Y258-I272 PolarHBondContact N-O 3.16Å; Y258-I272 PolarHBondContact O-N 2.54Å; L260-I272 HydrophobicContact CD1-CD1 3.6Å; L260-I272 HydrophobicContact CG-CD1 3.97Å; R270-I272 PolarHBondContact O-N 2.84Å; I272-Q276 HydrophobicContact CB-CB 3.96Å; I272-L277 HydrophobicContact CD1-CB 3.91Å; I272-L277 HydrophobicContact CD1-CD1 3.92Å; I272-L277 HydrophobicContact CD1-CG 4.48Å; I272-L277 HydrophobicContact CG1-CB 4.41Å |
| 273 | T | 98.6 | Very high | 97.4 | Very high | 47 Ų | 47 | 58.3 Ų | 58.3 | 29% | 0.288 | 32% | 0.322 | S | S | . | . | P | Polyproline II helix | trans | -74.6 | 163.6 | 177.7 | 66.9 | 0 | 0 | 0 | 0 | 111.4 | D275 Q276 L277 | T273-D275 PolarHBondContact O-N 3.27Å; T273-Q276 PolarHBondContact O-N 3.07Å; T273-Q276 WeakPolarHBondContact OG1-CG 3.34Å; T273-Q276 PolarHBondContact OG1-N 3.03Å; T273-Q276 PolarHBondContact OG1-OE1 3.01Å; T273-L277 PolarHBondContact O-N 2.88Å |
| 274 | P | 98.6 | Very high | 97.6 | Very high | 29 Ų | 29 | 55.2 Ų | 55.2 | 19% | 0.188 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -54.7 | -39.1 | 172.2 | -19.1 | 25.4 | 0 | 0 | 0 | 112.8 | Y258 L277 A278 F297 A304 | Y258-P274 HydrophobicContact CE2-CB 4.04Å; Y258-P274 HydrophobicContact CE2-CG 3.9Å; P274-L277 PolarHBondContact O-N 3Å; P274-A278 WeakPolarHBondContact O-CB 3.42Å; P274-A278 PolarHBondContact O-N 2.8Å; P274-F297 HydrophobicContact CB-CD1 4.29Å; P274-F297 HydrophobicContact CB-CE1 4.23Å; P274-F297 WeakPolarHBondContact O-CE1 3.42Å; P274-A304 HydrophobicContact CB-CB 3.65Å; P274-A304 HydrophobicContact CG-CB 4.46Å |
| 275 | D | 98.6 | Very high | 97.8 | Very high | 93 Ų | 93 | 56.5 Ų | 56.5 | 50% | 0.497 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -65.6 | -42.1 | 178.3 | -68.2 | -27.4 | 0 | 0 | 0 | 112.3 | T273 L277 A278 D279 | T273-D275 PolarHBondContact O-N 3.27Å; D275-L277 VanDerWaalsContact C-N 3.32Å; D275-L277 PolarHBondContact O-N 3.24Å; D275-A278 WeakPolarHBondContact O-CB 3.37Å; D275-A278 PolarHBondContact O-N 2.98Å; D275-D279 PolarHBondContact O-N 2.91Å |
| 276 | Q | 98.6 | Very high | 97.9 | Very high | 104 Ų | 104 | 59.4 Ų | 59.4 | 49% | 0.486 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -64.5 | -38.7 | 176 | -73.3 | 174.2 | -46.3 | 0 | 0 | 111.7 | I272 T273 D279 L280 | I272-Q276 HydrophobicContact CB-CB 3.96Å; T273-Q276 PolarHBondContact O-N 3.07Å; T273-Q276 WeakPolarHBondContact OG1-CG 3.34Å; T273-Q276 PolarHBondContact OG1-N 3.03Å; T273-Q276 PolarHBondContact OG1-OE1 3.01Å; Q276-D279 PolarHBondContact O-N 3.09Å; Q276-L280 PolarHBondContact O-N 3.03Å |
| 277 | L | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -67.5 | -41 | 175.6 | -176.5 | 60 | 0 | 0 | 0 | 111.4 | F252 Y258 L260 I272 T273 P274 D275 D279 L280 Y281 P296 F297 | F252-L277 HydrophobicContact CE2-CD2 4.39Å; Y258-L277 HydrophobicContact CD1-CD2 3.83Å; Y258-L277 HydrophobicContact CD2-CB 4.49Å; Y258-L277 HydrophobicContact CD2-CD2 3.63Å; Y258-L277 HydrophobicContact CE1-CD2 4.23Å; Y258-L277 HydrophobicContact CE2-CD2 4.07Å; Y258-L277 HydrophobicContact CG-CD2 3.51Å; L260-L277 HydrophobicContact CD1-CD1 4.47Å; L260-L277 HydrophobicContact CD2-CD1 4.11Å; I272-L277 HydrophobicContact CD1-CB 3.91Å; I272-L277 HydrophobicContact CD1-CD1 3.92Å; I272-L277 HydrophobicContact CD1-CG 4.48Å; I272-L277 HydrophobicContact CG1-CB 4.41Å; T273-L277 PolarHBondContact O-N 2.88Å; P274-L277 PolarHBondContact O-N 3Å; D275-L277 VanDerWaalsContact C-N 3.32Å; D275-L277 PolarHBondContact O-N 3.24Å; L277-D279 VanDerWaalsContact C-N 3.33Å; L277-D279 PolarHBondContact O-N 3.17Å; L277-L280 HydrophobicContact CD1-CD2 4.38Å; L277-L280 WeakPolarHBondContact O-CB 3.47Å; L277-L280 PolarHBondContact O-N 3.32Å; L277-Y281 HydrophobicContact CD1-CE1 4.02Å; L277-Y281 HydrophobicContact CD1-CE2 4.04Å; L277-Y281 WeakPolarHBondContact CD1-OH 3.17Å; L277-Y281 HydrophobicContact CD2-CE2 4.13Å; L277-Y281 WeakPolarHBondContact CD2-OH 3.43Å; L277-Y281 HydrophobicContact CG-CD2 4.42Å; L277-Y281 HydrophobicContact CG-CE1 4.43Å; L277-Y281 HydrophobicContact CG-CE2 3.53Å; L277-Y281 WeakPolarHBondContact CG-OH 3.36Å; L277-Y281 VanDerWaalsContact O-CD2 3.27Å; L277-Y281 WeakPolarHBondContact O-CD2 3.31Å; L277-Y281 PolarHBondContact O-N 3.05Å; L277-P296 WeakPolarHBondContact CD2-O 3.47Å; L277-F297 HydrophobicContact CB-CE1 4.31Å; L277-F297 HydrophobicContact CD2-CD1 4.15Å; L277-F297 HydrophobicContact CD2-CE1 4.15Å; L277-F297 HydrophobicContact CG-CE1 4.29Å |
| 278 | A | 98.6 | Very high | 98 | Very high | 8 Ų | 8 | 54.9 Ų | 54.9 | 7% | 0.066 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59.5 | -42.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | P274 D275 L280 Y281 K282 F297 F308 | P274-A278 WeakPolarHBondContact O-CB 3.42Å; P274-A278 PolarHBondContact O-N 2.8Å; D275-A278 WeakPolarHBondContact O-CB 3.37Å; D275-A278 PolarHBondContact O-N 2.98Å; A278-L280 VanDerWaalsContact C-N 3.34Å; A278-Y281 PolarHBondContact O-N 2.91Å; A278-K282 WeakPolarHBondContact O-CG 3.43Å; A278-K282 PolarHBondContact O-N 3.24Å; A278-F297 HydrophobicContact CB-CE1 4.47Å; A278-F297 HydrophobicContact CB-CZ 3.91Å; A278-F308 HydrophobicContact CB-CD2 4.02Å |
| 279 | D | 98.5 | Very high | 98.1 | Very high | 92 Ų | 92 | 53.9 Ų | 53.9 | 49% | 0.492 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -67.6 | -34.4 | 177.7 | -74 | -15.1 | 0 | 0 | 0 | 112.3 | D275 Q276 L277 K282 S283 | D275-D279 PolarHBondContact O-N 2.91Å; Q276-D279 PolarHBondContact O-N 3.09Å; L277-D279 VanDerWaalsContact C-N 3.33Å; L277-D279 PolarHBondContact O-N 3.17Å; D279-K282 PolarHBondContact O-N 2.98Å; D279-K282 IonicContact OD1-NZ 3.78Å; D279-K282 PolarHBondContact OD1-NZ 2.87Å; D279-S283 PolarHBondContact O-N 3.27Å |
| 280 | L | 98.4 | Very high | 98.2 | Very high | 48 Ų | 48 | 49.3 Ų | 49.3 | 25% | 0.251 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -60.2 | -47.2 | 169.8 | -177.2 | 64.3 | 0 | 0 | 0 | 111.1 | M166 L260 Q276 L277 A278 K282 S283 F284 | M166-L280 HydrophobicContact CE-CD2 4.25Å; L260-L280 HydrophobicContact CD1-CD2 3.57Å; Q276-L280 PolarHBondContact O-N 3.03Å; L277-L280 HydrophobicContact CD1-CD2 4.38Å; L277-L280 WeakPolarHBondContact O-CB 3.47Å; L277-L280 PolarHBondContact O-N 3.32Å; A278-L280 VanDerWaalsContact C-N 3.34Å; L280-K282 PolarHBondContact O-N 2.99Å; L280-S283 WeakPolarHBondContact O-CB 3.31Å; L280-S283 PolarHBondContact O-N 3.27Å; L280-S283 VanDerWaalsContact O-N 3.14Å; L280-S283 PolarHBondContact O-OG 3.39Å; L280-F284 HydrophobicContact CD1-CD1 4.49Å; L280-F284 HydrophobicContact CD1-CE1 3.62Å; L280-F284 HydrophobicContact CD1-CE2 4.43Å; L280-F284 HydrophobicContact CD1-CZ 3.58Å; L280-F284 HydrophobicContact CD2-CE2 4.36Å; L280-F284 HydrophobicContact CD2-CZ 4.03Å; L280-F284 HydrophobicContact CG-CE1 4.06Å; L280-F284 HydrophobicContact CG-CE2 4Å; L280-F284 HydrophobicContact CG-CZ 3.61Å; L280-F284 PolarHBondContact O-N 3.06Å; L280-F284 VanDerWaalsContact O-N 3.09Å |
| 281 | Y | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.8 | -42.2 | 176.4 | -59.6 | -41.9 | 0 | 0 | 0 | 112.9 | M166 V247 L277 A278 S283 F284 V285 I293 P296 F297 F308 | M166-Y281 HydrophobicContact CE-CD1 4.29Å; M166-Y281 HydrophobicContact CE-CE1 3.53Å; M166-Y281 HydrophobicContact SD-CE1 4.37Å; V247-Y281 HydrophobicContact CG1-CE1 4.25Å; V247-Y281 WeakPolarHBondContact CG1-OH 3.46Å; V247-Y281 HydrophobicContact CG2-CE1 3.76Å; L277-Y281 HydrophobicContact CD1-CE1 4.02Å; L277-Y281 HydrophobicContact CD1-CE2 4.04Å; L277-Y281 WeakPolarHBondContact CD1-OH 3.17Å; L277-Y281 HydrophobicContact CD2-CE2 4.13Å; L277-Y281 WeakPolarHBondContact CD2-OH 3.43Å; L277-Y281 HydrophobicContact CG-CD2 4.42Å; L277-Y281 HydrophobicContact CG-CE1 4.43Å; L277-Y281 HydrophobicContact CG-CE2 3.53Å; L277-Y281 WeakPolarHBondContact CG-OH 3.36Å; L277-Y281 VanDerWaalsContact O-CD2 3.27Å; L277-Y281 WeakPolarHBondContact O-CD2 3.31Å; L277-Y281 PolarHBondContact O-N 3.05Å; A278-Y281 PolarHBondContact O-N 2.91Å; Y281-S283 PolarHBondContact O-N 3.04Å; Y281-F284 HydrophobicContact CD1-CD2 4.43Å; Y281-F284 WeakPolarHBondContact O-CB 3.45Å; Y281-F284 PolarHBondContact O-N 3.06Å; Y281-V285 WeakPolarHBondContact O-CG2 3.46Å; Y281-V285 PolarHBondContact O-N 3.41Å; Y281-I293 HydrophobicContact CD1-CD1 4.39Å; Y281-I293 HydrophobicContact CG-CD1 4.28Å; Y281-P296 HydrophobicContact CD2-CB 4.01Å; Y281-P296 HydrophobicContact CE2-CB 3.47Å; Y281-P296 VanDerWaalsContact CE2-CB 3.47Å; Y281-P296 WeakPolarHBondContact CE2-O 3.49Å; Y281-P296 PolarHBondContact OH-O 3.3Å; Y281-F297 HydrophobicContact CD2-CZ 4.31Å; Y281-F297 HydrophobicContact CE2-CE1 4.28Å; Y281-F297 HydrophobicContact CE2-CZ 4.08Å; Y281-F308 HydrophobicContact CD2-CE2 4.13Å; Y281-F308 HydrophobicContact CD2-CZ 4.13Å; Y281-F308 HydrophobicContact CG-CE2 4.43Å; Y281-F308 HydrophobicContact CG-CZ 4.32Å |
| 282 | K | 98.3 | Very high | 98.4 | Very high | 81 Ų | 81 | 47 Ų | 47 | 35% | 0.352 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -59.3 | -37.9 | 175.2 | -69.1 | 171.2 | -158.7 | 155.9 | 0 | 111.4 | A278 D279 L280 F284 V285 K286 F308 T311 | A278-K282 WeakPolarHBondContact O-CG 3.43Å; A278-K282 PolarHBondContact O-N 3.24Å; D279-K282 PolarHBondContact O-N 2.98Å; D279-K282 IonicContact OD1-NZ 3.78Å; D279-K282 PolarHBondContact OD1-NZ 2.87Å; L280-K282 PolarHBondContact O-N 2.99Å; K282-F284 VanDerWaalsContact C-N 3.32Å; K282-F284 PolarHBondContact O-N 3.41Å; K282-V285 PolarHBondContact O-N 3.17Å; K282-K286 WeakPolarHBondContact O-CB 3.19Å; K282-K286 PolarHBondContact O-N 3.42Å; K282-F308 HydrophobicContact CG-CE2 4.44Å; K282-T311 WeakPolarHBondContact CE-OG1 3.5Å |
| 283 | S | 98.1 | Very high | 98.4 | Very high | 40 Ų | 40 | 45.2 Ų | 45.2 | 28% | 0.28 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -62.9 | -39.1 | 174 | 85 | 0 | 0 | 0 | 0 | 111.8 | D279 L280 Y281 K286 D287 | D279-S283 PolarHBondContact O-N 3.27Å; L280-S283 WeakPolarHBondContact O-CB 3.31Å; L280-S283 PolarHBondContact O-N 3.27Å; L280-S283 VanDerWaalsContact O-N 3.14Å; L280-S283 PolarHBondContact O-OG 3.39Å; Y281-S283 PolarHBondContact O-N 3.04Å; S283-K286 PolarHBondContact O-N 3.24Å; S283-D287 WeakPolarHBondContact O-CB 3.5Å; S283-D287 PolarHBondContact O-N 3.45Å |
| 284 | F | 98.4 | Very high | 98.4 | Very high | 3 Ų | 3 | 43 Ų | 43 | 1% | 0.013 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -67.4 | -43.8 | 177.2 | -62.7 | -14.7 | 0 | 0 | 0 | 112.3 | M166 N221 K222 L225 M245 L280 Y281 K282 K286 D287 Y288 | M166-F284 HydrophobicContact CE-CE2 3.84Å; M166-F284 HydrophobicContact SD-CE2 4.07Å; N221-F284 HydrophobicContact CB-CE2 3.97Å; N221-F284 HydrophobicContact CB-CZ 3.85Å; K222-F284 HydrophobicContact CB-CE1 4.16Å; L225-F284 HydrophobicContact CD1-CB 3.83Å; L225-F284 HydrophobicContact CD1-CD1 3.83Å; L225-F284 HydrophobicContact CD1-CD2 3.82Å; L225-F284 HydrophobicContact CD1-CE1 4.33Å; L225-F284 HydrophobicContact CD1-CE2 4.31Å; L225-F284 HydrophobicContact CD1-CG 3.56Å; M245-F284 HydrophobicContact CE-CD2 3.93Å; M245-F284 HydrophobicContact CE-CE2 4.15Å; M245-F284 HydrophobicContact SD-CD2 4.2Å; L280-F284 HydrophobicContact CD1-CD1 4.49Å; L280-F284 HydrophobicContact CD1-CE1 3.62Å; L280-F284 HydrophobicContact CD1-CE2 4.43Å; L280-F284 HydrophobicContact CD1-CZ 3.58Å; L280-F284 HydrophobicContact CD2-CE2 4.36Å; L280-F284 HydrophobicContact CD2-CZ 4.03Å; L280-F284 HydrophobicContact CG-CE1 4.06Å; L280-F284 HydrophobicContact CG-CE2 4Å; L280-F284 HydrophobicContact CG-CZ 3.61Å; L280-F284 PolarHBondContact O-N 3.06Å; L280-F284 VanDerWaalsContact O-N 3.09Å; Y281-F284 HydrophobicContact CD1-CD2 4.43Å; Y281-F284 WeakPolarHBondContact O-CB 3.45Å; Y281-F284 PolarHBondContact O-N 3.06Å; K282-F284 VanDerWaalsContact C-N 3.32Å; K282-F284 PolarHBondContact O-N 3.41Å; F284-K286 PolarHBondContact O-N 2.86Å; F284-D287 PolarHBondContact O-N 3.01Å; F284-Y288 HydrophobicContact CB-CD2 4.44Å; F284-Y288 HydrophobicContact CD1-CE2 4.46Å; F284-Y288 WeakPolarHBondContact O-CB 3.36Å; F284-Y288 WeakPolarHBondContact O-CD2 3.49Å; F284-Y288 PolarHBondContact O-N 3.15Å |
| 285 | V | 98.1 | Very high | 98.4 | Very high | 42 Ų | 42 | 41.8 Ų | 41.8 | 26% | 0.255 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -63.5 | -31.9 | 176.5 | 175.1 | 0 | 0 | 0 | 0 | 111.8 | Y281 K282 V290 I293 I314 | Y281-V285 WeakPolarHBondContact O-CG2 3.46Å; Y281-V285 PolarHBondContact O-N 3.41Å; K282-V285 PolarHBondContact O-N 3.17Å; V285-V290 HydrophobicContact CG2-CB 4.31Å; V285-V290 HydrophobicContact CG2-CG1 4.26Å; V285-I293 HydrophobicContact CG2-CD1 4.18Å; V285-I314 HydrophobicContact CG1-CG2 3.77Å; V285-I314 HydrophobicContact CG2-CD1 3.71Å; V285-I314 HydrophobicContact CG2-CG2 4.32Å |
| 286 | K | 97.5 | Very high | 98.4 | Very high | 178 Ų | 178 | 37.3 Ų | 37.3 | 77% | 0.774 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -73.5 | -44.2 | 176.4 | -178.4 | -174.2 | 173.1 | -171.9 | 0 | 112.4 | K282 S283 F284 | K282-K286 WeakPolarHBondContact O-CB 3.19Å; K282-K286 PolarHBondContact O-N 3.42Å; S283-K286 PolarHBondContact O-N 3.24Å; F284-K286 PolarHBondContact O-N 2.86Å |
| 287 | D | 97.6 | Very high | 98.4 | Very high | 71 Ų | 71 | 32.4 Ų | 32.4 | 38% | 0.38 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -91.1 | -18.7 | -169 | -68.6 | -5.8 | 0 | 0 | 0 | 113.2 | K222 S283 F284 | K222-D287 IonicContact NZ-OD2 3.29Å; S283-D287 WeakPolarHBondContact O-CB 3.5Å; S283-D287 PolarHBondContact O-N 3.45Å; F284-D287 PolarHBondContact O-N 3.01Å |
| 288 | Y | 98.2 | Very high | 98.4 | Very high | 10 Ų | 10 | 33.2 Ų | 33.2 | 4% | 0.039 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -134.6 | 157.6 | -175.6 | -54.3 | -80.3 | 0 | 0 | 0 | 111.4 | K222 L225 E226 K229 F284 V290 | K222-Y288 WeakPolarHBondContact CE-OH 3.36Å; K222-Y288 HydrophobicContact CG-CE2 4.15Å; K222-Y288 WeakPolarHBondContact CG-OH 3.49Å; L225-Y288 HydrophobicContact CB-CD1 3.81Å; L225-Y288 HydrophobicContact CB-CD2 3.96Å; L225-Y288 HydrophobicContact CB-CE1 3.8Å; L225-Y288 HydrophobicContact CB-CE2 3.94Å; L225-Y288 HydrophobicContact CB-CG 3.9Å; L225-Y288 HydrophobicContact CD1-CD2 3.56Å; L225-Y288 HydrophobicContact CD1-CE2 3.83Å; L225-Y288 HydrophobicContact CD1-CG 4.11Å; L225-Y288 HydrophobicContact CG-CD2 4.31Å; L225-Y288 HydrophobicContact CG-CG 4.46Å; E226-Y288 HydrophobicContact CG-CE1 4.2Å; E226-Y288 WeakPolarHBondContact CG-OH 3.23Å; E226-Y288 WeakPolarHBondContact OE1-CE1 3.17Å; E226-Y288 VanDerWaalsContact OE1-CZ 3.24Å; E226-Y288 PolarHBondContact OE1-OH 2.64Å; K229-Y288 HydrophobicContact CD-CD1 4.27Å; K229-Y288 HydrophobicContact CD-CE1 4.23Å; F284-Y288 HydrophobicContact CB-CD2 4.44Å; F284-Y288 HydrophobicContact CD1-CE2 4.46Å; F284-Y288 WeakPolarHBondContact O-CB 3.36Å; F284-Y288 WeakPolarHBondContact O-CD2 3.49Å; F284-Y288 PolarHBondContact O-N 3.15Å; Y288-V290 PolarHBondContact O-N 3.31Å |
| 289 | P | 97.6 | Very high | 98.3 | Very high | 60 Ų | 60 | 33.9 Ų | 33.9 | 39% | 0.39 | 18% | 0.177 | S | C | . | . | trans | -76.2 | 48.6 | 178.7 | 34.5 | -37.9 | 0 | 0 | 0 | 112.2 | V242 I243 V291 | V242-P289 WeakPolarHBondContact CB-O 3.21Å; V242-P289 HydrophobicContact CG1-CB 4.49Å; I243-P289 HydrophobicContact CD1-CG 4.26Å; I243-P289 HydrophobicContact CG1-CG 4.35Å; I243-P289 PolarHBondContact N-O 2.95Å; P289-V291 PolarHBondContact O-N 3.05Å | ||
| 290 | V | 98.7 | Very high | 98.3 | Very high | 4 Ų | 4 | 32.6 Ų | 32.6 | 2% | 0.024 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 120.6 | 177 | 177.4 | 0 | 0 | 0 | 0 | 109 | L225 I243 M245 V285 Y288 I293 | L225-V290 HydrophobicContact CD2-CG2 4.09Å; I243-V290 HydrophobicContact CB-CG2 4.11Å; I243-V290 HydrophobicContact CG2-CG2 3.98Å; I243-V290 CarbonylContact O-C 3.57Å; I243-V290 WeakPolarHBondContact O-CA 3.31Å; M245-V290 HydrophobicContact CG-CG1 4.46Å; M245-V290 HydrophobicContact SD-CG1 4.15Å; M245-V290 HydrophobicContact SD-CG2 4.05Å; V285-V290 HydrophobicContact CG2-CB 4.31Å; V285-V290 HydrophobicContact CG2-CG1 4.26Å; Y288-V290 PolarHBondContact O-N 3.31Å; V290-I293 HydrophobicContact CG1-CD1 4.09Å; V290-I293 HydrophobicContact CG1-CG1 3.77Å |
| 291 | V | 98.7 | Very high | 98.3 | Very high | 38 Ų | 38 | 31.5 Ų | 31.5 | 23% | 0.23 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | -6.7 | -177.3 | -59.1 | 0 | 0 | 0 | 0 | 113.7 | V242 I243 P289 I314 Q315 F429 | V242-V291 HydrophobicContact CB-CB 4.43Å; V242-V291 HydrophobicContact CB-CG1 3.81Å; V242-V291 HydrophobicContact CB-CG2 3.75Å; V242-V291 HydrophobicContact CG1-CG1 3.93Å; V242-V291 HydrophobicContact CG2-CB 4.4Å; V242-V291 HydrophobicContact CG2-CG1 4.2Å; V242-V291 HydrophobicContact CG2-CG2 3.34Å; I243-V291 PolarHBondContact O-N 3.49Å; P289-V291 PolarHBondContact O-N 3.05Å; V291-I314 WeakPolarHBondContact O-CB 3.38Å; V291-Q315 WeakPolarHBondContact O-CB 3.1Å; V291-Q315 PolarHBondContact O-N 3.07Å; V291-F429 HydrophobicContact CG2-CE1 4.5Å; V291-F429 HydrophobicContact CG2-CZ 4.12Å |
| 292 | S | 98.9 | Very high | 98.3 | Very high | 2 Ų | 2 | 33.1 Ų | 33.1 | 1% | 0.014 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 129.5 | 178.9 | -168.7 | 0 | 0 | 0 | 0 | 110.3 | G244 M245 Q315 V317 | G244-S292 CarbonylContact C-O 3.59Å; G244-S292 VanDerWaalsContact CA-O 3.3Å; G244-S292 WeakPolarHBondContact CA-O 3.46Å; M245-S292 PolarHBondContact N-O 2.66Å; S292-Q315 CarbonylContact C-O 3.59Å; S292-Q315 VanDerWaalsContact CA-O 3.28Å; S292-Q315 WeakPolarHBondContact CA-O 3.37Å; S292-Q315 PolarHBondContact OG-NE2 3.1Å; S292-V317 WeakPolarHBondContact OG-CG2 3.41Å |
| 293 | I | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 122.9 | 171.5 | -62.5 | 175.3 | 0 | 0 | 0 | 108.2 | M245 V247 Y281 V285 V290 P296 F308 I314 Q315 V316 V317 | M245-I293 CarbonylContact O-C 3.59Å; M245-I293 WeakPolarHBondContact O-CA 3.34Å; V247-I293 HydrophobicContact CG2-CG2 3.75Å; Y281-I293 HydrophobicContact CD1-CD1 4.39Å; Y281-I293 HydrophobicContact CG-CD1 4.28Å; V285-I293 HydrophobicContact CG2-CD1 4.18Å; V290-I293 HydrophobicContact CG1-CD1 4.09Å; V290-I293 HydrophobicContact CG1-CG1 3.77Å; I293-P296 HydrophobicContact CG2-CB 3.9Å; I293-P296 HydrophobicContact CG2-CG 4.4Å; I293-F308 HydrophobicContact CD1-CZ 4.17Å; I293-I314 HydrophobicContact CB-CD1 4.23Å; I293-I314 HydrophobicContact CD1-CD1 3.67Å; I293-I314 HydrophobicContact CG1-CD1 3.68Å; I293-Q315 PolarHBondContact N-O 2.99Å; I293-V316 CarbonylContact O-C 3.44Å; I293-V316 WeakPolarHBondContact O-CA 3.25Å; I293-V317 PolarHBondContact O-N 3.26Å |
| 294 | E | 98.9 | Very high | 98.3 | Very high | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 139.2 | 176.3 | 177.5 | -179 | 134.1 | 0 | 0 | 109.7 | M245 D246 V247 P296 V317 D319 L342 K395 | M245-E294 WeakPolarHBondContact O-CB 3.39Å; M245-E294 PolarHBondContact O-N 3.18Å; D246-E294 HydrophobicContact CB-CB 4Å; D246-E294 HydrophobicContact CB-CG 4.12Å; D246-E294 VanDerWaalsContact CG-OE1 3.27Å; V247-E294 PolarHBondContact N-O 2.52Å; E294-P296 VanDerWaalsContact C-CD 3.47Å; E294-V317 WeakPolarHBondContact CA-O 3.44Å; E294-V317 HydrophobicContact CB-CB 3.8Å; E294-V317 HydrophobicContact CB-CG1 4.42Å; E294-V317 HydrophobicContact CB-CG2 4.34Å; E294-V317 HydrophobicContact CG-CB 4.06Å; E294-V317 HydrophobicContact CG-CG1 4.2Å; E294-D319 HydrophobicContact CG-CB 3.98Å; E294-L342 WeakPolarHBondContact OE1-CD2 3.44Å; E294-L342 WeakPolarHBondContact OE2-CD1 3.35Å; E294-K395 IonicContact OE1-NZ 3.76Å; E294-K395 PolarHBondContact OE1-NZ 3.04Å; E294-K395 IonicContact OE2-NZ 3.57Å; E294-K395 PolarHBondContact OE2-NZ 3.43Å |
| 295 | D | 98.5 | Very high | 98.3 | Very high | 2 Ų | 2 | 33.3 Ų | 33.3 | 1% | 0.011 | 17% | 0.169 | C | C | . | . | trans | 42.9 | 53.4 | -180 | -72 | -2.8 | 0 | 0 | 0 | 116.1 | V247 A249 F297 W305 V317 D319 D320 | V247-D295 WeakPolarHBondContact CB-O 3.5Å; A249-D295 VanDerWaalsContact CB-O 3.25Å; A249-D295 WeakPolarHBondContact CB-O 3.26Å; A249-D295 PolarHBondContact N-O 3.36Å; A249-D295 VanDerWaalsContact N-O 3.08Å; D295-F297 PolarHBondContact O-N 2.93Å; D295-F297 VanDerWaalsContact O-N 3.16Å; D295-W305 HydrophobicContact CB-CH2 4.4Å; D295-W305 HydrophobicContact CB-CZ2 4.32Å; D295-W305 VanDerWaalsContact OD1-CH2 3.23Å; D295-W305 WeakPolarHBondContact OD1-CH2 3.17Å; D295-W305 WeakPolarHBondContact OD1-CZ2 3.31Å; D295-V317 PolarHBondContact N-O 3.49Å; D295-V317 VanDerWaalsContact N-O 3.12Å; D295-D319 PolarHBondContact OD1-N 3.33Å; D295-D319 WeakPolarHBondContact OD2-CB 3.3Å; D295-D320 PolarHBondContact OD1-N 3.45Å; D295-D320 VanDerWaalsContact OD2-CB 3.31Å; D295-D320 WeakPolarHBondContact OD2-CB 3.36Å; D295-D320 PolarHBondContact OD2-N 2.94Å | ||
| 296 | P | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.17 | C | C | . | . | trans | -62.6 | -19.2 | 178.6 | 26.8 | -36.5 | 0 | 0 | 0 | 114.3 | L277 Y281 I293 E294 W305 F308 V316 | L277-P296 WeakPolarHBondContact CD2-O 3.47Å; Y281-P296 HydrophobicContact CD2-CB 4.01Å; Y281-P296 HydrophobicContact CE2-CB 3.47Å; Y281-P296 VanDerWaalsContact CE2-CB 3.47Å; Y281-P296 WeakPolarHBondContact CE2-O 3.49Å; Y281-P296 PolarHBondContact OH-O 3.3Å; I293-P296 HydrophobicContact CG2-CB 3.9Å; I293-P296 HydrophobicContact CG2-CG 4.4Å; E294-P296 VanDerWaalsContact C-CD 3.47Å; P296-W305 HydrophobicContact CG-CD2 4.44Å; P296-W305 HydrophobicContact CG-CE3 4.08Å; P296-W305 HydrophobicContact CG-CH2 4.3Å; P296-W305 HydrophobicContact CG-CZ3 4.04Å; P296-F308 HydrophobicContact CB-CD1 4.37Å; P296-F308 HydrophobicContact CB-CE1 4.34Å; P296-F308 HydrophobicContact CG-CD1 4.16Å; P296-F308 HydrophobicContact CG-CE1 4.34Å; P296-V316 HydrophobicContact CG-CG1 4.12Å | ||
| 297 | F | 98.8 | Very high | 98.4 | Very high | 1 Ų | 1 | 29.6 Ų | 29.6 | 0% | 0.004 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -139.8 | 167.5 | -179.6 | -56.2 | -73.7 | 0 | 0 | 0 | 110.1 | Y258 P274 L277 A278 Y281 D295 D301 A304 W305 F308 | Y258-F297 HydrophobicContact CE2-CD1 4.06Å; Y258-F297 AromaticContact CZ-CD1 3.96Å; Y258-F297 WeakPolarHBondContact OH-CB 3.47Å; P274-F297 HydrophobicContact CB-CD1 4.29Å; P274-F297 HydrophobicContact CB-CE1 4.23Å; P274-F297 WeakPolarHBondContact O-CE1 3.42Å; L277-F297 HydrophobicContact CB-CE1 4.31Å; L277-F297 HydrophobicContact CD2-CD1 4.15Å; L277-F297 HydrophobicContact CD2-CE1 4.15Å; L277-F297 HydrophobicContact CG-CE1 4.29Å; A278-F297 HydrophobicContact CB-CE1 4.47Å; A278-F297 HydrophobicContact CB-CZ 3.91Å; Y281-F297 HydrophobicContact CD2-CZ 4.31Å; Y281-F297 HydrophobicContact CE2-CE1 4.28Å; Y281-F297 HydrophobicContact CE2-CZ 4.08Å; D295-F297 PolarHBondContact O-N 2.93Å; D295-F297 VanDerWaalsContact O-N 3.16Å; F297-D301 HydrophobicContact CB-CB 4.28Å; F297-A304 HydrophobicContact CB-CB 4.08Å; F297-A304 HydrophobicContact CD1-CB 3.59Å; F297-A304 HydrophobicContact CD2-CB 3.9Å; F297-A304 HydrophobicContact CE1-CB 3.99Å; F297-A304 HydrophobicContact CE2-CB 4.3Å; F297-A304 HydrophobicContact CG-CB 3.54Å; F297-A304 HydrophobicContact CZ-CB 4.33Å; F297-W305 HydrophobicContact CB-CG 4.32Å; F297-W305 HydrophobicContact CD2-CD2 4.48Å; F297-W305 HydrophobicContact CD2-CG 4.25Å; F297-W305 PolarHBondContact O-NE1 3.25Å; F297-F308 HydrophobicContact CD2-CB 4.48Å; F297-F308 HydrophobicContact CE2-CB 3.37Å; F297-F308 AromaticContact CE2-CD1 3.98Å; F297-F308 HydrophobicContact CE2-CD1 3.98Å; F297-F308 AromaticContact CE2-CG 3.73Å; F297-F308 HydrophobicContact CE2-CG 3.73Å; F297-F308 HydrophobicContact CZ-CB 3.85Å; F297-F308 HydrophobicContact CZ-CG 4.12Å |
| 298 | D | 98.3 | Very high | 98.5 | Very high | 16 Ų | 16 | 26.3 Ų | 26.3 | 9% | 0.086 | 14% | 0.135 | C | C | . | . | trans | -55.9 | 147.4 | 177.8 | 177.2 | 68.5 | 0 | 0 | 0 | 111.9 | S250 Y253 Y258 D300 D301 W305 | S250-D298 WeakPolarHBondContact CA-OD1 3.47Å; S250-D298 WeakPolarHBondContact CB-OD1 3.39Å; S250-D298 WeakPolarHBondContact OG-CA 3.47Å; S250-D298 PolarHBondContact OG-OD1 3.46Å; Y253-D298 HydrophobicContact CD1-CB 3.91Å; Y253-D298 HydrophobicContact CD2-CB 3.82Å; Y253-D298 HydrophobicContact CE1-CB 4.32Å; Y253-D298 HydrophobicContact CE2-CB 4.24Å; Y253-D298 HydrophobicContact CG-CB 3.62Å; Y258-D298 HydrophobicContact CE1-CB 4.23Å; Y258-D298 PolarHBondContact OH-N 2.81Å; D298-D300 PolarHBondContact O-N 2.92Å; D298-D300 PolarHBondContact OD2-N 2.99Å; D298-D301 HydrophobicContact CB-CB 4.08Å; D298-D301 PolarHBondContact O-N 3.35Å; D298-W305 PolarHBondContact O-NE1 3.11Å | ||
| 299 | Q | 97.1 | Very high | 98.5 | Very high | 23 Ų | 23 | 26.7 Ų | 26.7 | 11% | 0.107 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | -21.8 | -178.8 | 67.4 | -166.1 | -41.7 | 0 | 0 | 114.3 | I44 S250 D320 L321 R328 | I44-Q299 VanDerWaalsContact N-OE1 3.13Å; S250-Q299 PolarHBondContact OG-N 2.96Å; Q299-D320 HydrophobicContact CB-CB 4.03Å; Q299-L321 WeakPolarHBondContact O-CD1 3.27Å; Q299-R328 PolarHBondContact O-NH2 3Å |
| 300 | D | 97.8 | Very high | 98.5 | Very high | 64 Ų | 64 | 28 Ų | 28 | 34% | 0.342 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -115.2 | 3.1 | 176 | -68.3 | -44.2 | 0 | 0 | 0 | 114.8 | Y45 D298 W302 R328 | Y45-D300 PolarHBondContact OH-OD1 2.77Å; Y45-D300 PolarHBondContact OH-OD2 3.35Å; D298-D300 PolarHBondContact O-N 2.92Å; D298-D300 PolarHBondContact OD2-N 2.99Å; D300-W302 VanDerWaalsContact O-CD1 3.23Å; D300-W302 PolarHBondContact O-N 3.25Å; D300-R328 IonicContact OD1-CZ 2.64Å; D300-R328 IonicContact OD1-NH1 3.42Å; D300-R328 PolarHBondContact OD1-NH1 2.81Å; D300-R328 IonicContact OD1-NH2 3.79Å; D300-R328 PolarHBondContact OD1-NH2 3.23Å |
| 301 | D | 98 | Very high | 98.4 | Very high | 26 Ų | 26 | 31.8 Ų | 31.8 | 14% | 0.139 | 18% | 0.178 | C | C | . | . | trans | -81.7 | 53.7 | 175.6 | -167.9 | -1.3 | 0 | 0 | 0 | 112.4 | Y258 F297 D298 E303 A304 W305 | Y258-D301 PolarHBondContact OH-OD2 3.38Å; F297-D301 HydrophobicContact CB-CB 4.28Å; D298-D301 HydrophobicContact CB-CB 4.08Å; D298-D301 PolarHBondContact O-N 3.35Å; D301-E303 PolarHBondContact O-N 2.99Å; D301-A304 HydrophobicContact CB-CB 4.32Å; D301-A304 PolarHBondContact O-N 2.9Å; D301-A304 VanDerWaalsContact OD1-CB 3.3Å; D301-A304 WeakPolarHBondContact OD1-CB 3.49Å; D301-A304 PolarHBondContact OD1-N 3.16Å; D301-A304 VanDerWaalsContact OD2-CB 3.26Å; D301-A304 WeakPolarHBondContact OD2-CB 3.32Å; D301-W305 VanDerWaalsContact O-CD1 3.22Å; D301-W305 PolarHBondContact O-N 3.3Å | ||
| 302 | W | 98.6 | Very high | 98.3 | Very high | 33 Ų | 33 | 31.4 Ų | 31.4 | 13% | 0.125 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -53.3 | -30.8 | -174.8 | -68.6 | 94.7 | 0 | 0 | 0 | 114 | D300 T306 L321 R328 K331 A337 | D300-W302 VanDerWaalsContact O-CD1 3.23Å; D300-W302 PolarHBondContact O-N 3.25Å; W302-T306 WeakPolarHBondContact O-CB 3.17Å; W302-T306 PolarHBondContact O-N 3.37Å; W302-T306 PolarHBondContact O-OG1 3Å; W302-L321 HydrophobicContact CD2-CD1 3.92Å; W302-L321 HydrophobicContact CE3-CD1 3.76Å; W302-L321 HydrophobicContact CH2-CD1 3.58Å; W302-L321 HydrophobicContact CH2-CG 3.91Å; W302-L321 HydrophobicContact CZ2-CD1 3.77Å; W302-L321 HydrophobicContact CZ2-CG 4.49Å; W302-L321 HydrophobicContact CZ3-CD1 3.55Å; W302-L321 HydrophobicContact CZ3-CD2 4.08Å; W302-L321 HydrophobicContact CZ3-CG 3.93Å; W302-R328 VanDerWaalsContact CZ2-NH2 3.26Å; W302-K331 HydrophobicContact CD2-CD 4.2Å; W302-K331 VanDerWaalsContact CD2-CE 3.43Å; W302-K331 HydrophobicContact CD2-CG 4.45Å; W302-K331 HydrophobicContact CE3-CD 4.46Å; W302-K331 HydrophobicContact CE3-CG 4.21Å; W302-K331 HydrophobicContact CH2-CB 4.06Å; W302-K331 HydrophobicContact CH2-CD 3.97Å; W302-K331 HydrophobicContact CH2-CG 3.81Å; W302-K331 HydrophobicContact CZ2-CB 4.49Å; W302-K331 HydrophobicContact CZ2-CD 3.63Å; W302-K331 HydrophobicContact CZ2-CG 4.02Å; W302-K331 HydrophobicContact CZ3-CB 4.43Å; W302-K331 HydrophobicContact CZ3-CD 4.39Å; W302-K331 HydrophobicContact CZ3-CG 3.93Å; W302-A337 HydrophobicContact CE3-CB 3.76Å; W302-A337 HydrophobicContact CZ3-CB 3.86Å |
| 303 | E | 98.5 | Very high | 98.2 | Very high | 123 Ų | 123 | 36.2 Ų | 36.2 | 58% | 0.575 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -67.2 | -47.2 | 177.5 | -171.1 | -177.1 | 159.4 | 0 | 0 | 111.2 | D301 T306 K307 | D301-E303 PolarHBondContact O-N 2.99Å; E303-T306 PolarHBondContact O-N 3.35Å; E303-K307 HydrophobicContact CG-CD 4.13Å; E303-K307 WeakPolarHBondContact O-CB 3.45Å; E303-K307 WeakPolarHBondContact O-CG 3.39Å; E303-K307 PolarHBondContact O-N 3.45Å; E303-K307 WeakPolarHBondContact OE1-CE 3.42Å; E303-K307 IonicContact OE1-NZ 2.89Å; E303-K307 PolarHBondContact OE1-NZ 3.5Å |
| 304 | A | 98.7 | Very high | 98.2 | Very high | 6 Ų | 6 | 36.8 Ų | 36.8 | 5% | 0.05 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.4 | -43.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | P274 F297 D301 T306 K307 F308 | P274-A304 HydrophobicContact CB-CB 3.65Å; P274-A304 HydrophobicContact CG-CB 4.46Å; F297-A304 HydrophobicContact CB-CB 4.08Å; F297-A304 HydrophobicContact CD1-CB 3.59Å; F297-A304 HydrophobicContact CD2-CB 3.9Å; F297-A304 HydrophobicContact CE1-CB 3.99Å; F297-A304 HydrophobicContact CE2-CB 4.3Å; F297-A304 HydrophobicContact CG-CB 3.54Å; F297-A304 HydrophobicContact CZ-CB 4.33Å; D301-A304 HydrophobicContact CB-CB 4.32Å; D301-A304 PolarHBondContact O-N 2.9Å; D301-A304 VanDerWaalsContact OD1-CB 3.3Å; D301-A304 WeakPolarHBondContact OD1-CB 3.49Å; D301-A304 PolarHBondContact OD1-N 3.16Å; D301-A304 VanDerWaalsContact OD2-CB 3.26Å; D301-A304 WeakPolarHBondContact OD2-CB 3.32Å; A304-T306 PolarHBondContact O-N 3.34Å; A304-K307 PolarHBondContact O-N 2.94Å; A304-F308 WeakPolarHBondContact O-CB 3.38Å; A304-F308 PolarHBondContact O-N 3.02Å |
| 305 | W | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -53.9 | -52.7 | 173.5 | -80.7 | 95.2 | 0 | 0 | 0 | 112.1 | D295 P296 F297 D298 D301 K307 F308 T309 V316 V317 L321 A337 C338 | D295-W305 HydrophobicContact CB-CH2 4.4Å; D295-W305 HydrophobicContact CB-CZ2 4.32Å; D295-W305 VanDerWaalsContact OD1-CH2 3.23Å; D295-W305 WeakPolarHBondContact OD1-CH2 3.17Å; D295-W305 WeakPolarHBondContact OD1-CZ2 3.31Å; P296-W305 HydrophobicContact CG-CD2 4.44Å; P296-W305 HydrophobicContact CG-CE3 4.08Å; P296-W305 HydrophobicContact CG-CH2 4.3Å; P296-W305 HydrophobicContact CG-CZ3 4.04Å; F297-W305 HydrophobicContact CB-CG 4.32Å; F297-W305 HydrophobicContact CD2-CD2 4.48Å; F297-W305 HydrophobicContact CD2-CG 4.25Å; F297-W305 PolarHBondContact O-NE1 3.25Å; D298-W305 PolarHBondContact O-NE1 3.11Å; D301-W305 VanDerWaalsContact O-CD1 3.22Å; D301-W305 PolarHBondContact O-N 3.3Å; W305-K307 PolarHBondContact O-N 3.45Å; W305-F308 PolarHBondContact O-N 3.06Å; W305-T309 WeakPolarHBondContact O-CB 3.36Å; W305-T309 PolarHBondContact O-N 2.98Å; W305-T309 PolarHBondContact O-OG1 2.77Å; W305-T309 VanDerWaalsContact O-OG1 3.11Å; W305-V316 HydrophobicContact CE3-CG1 4Å; W305-V316 HydrophobicContact CZ3-CG1 3.82Å; W305-V317 WeakPolarHBondContact CH2-O 3.32Å; W305-V317 WeakPolarHBondContact CZ3-O 3.36Å; W305-L321 HydrophobicContact CD2-CD1 4.32Å; W305-L321 HydrophobicContact CD2-CD2 3.67Å; W305-L321 HydrophobicContact CD2-CG 4.42Å; W305-L321 HydrophobicContact CE3-CD2 3.64Å; W305-L321 HydrophobicContact CG-CD1 4.32Å; W305-L321 HydrophobicContact CG-CD2 4.22Å; W305-L321 HydrophobicContact CH2-CB 3.86Å; W305-L321 HydrophobicContact CH2-CD2 3.93Å; W305-L321 HydrophobicContact CH2-CG 4.47Å; W305-L321 HydrophobicContact CZ2-CB 3.6Å; W305-L321 HydrophobicContact CZ2-CD1 4.47Å; W305-L321 HydrophobicContact CZ2-CD2 4.04Å; W305-L321 HydrophobicContact CZ2-CG 4.23Å; W305-L321 HydrophobicContact CZ3-CD2 3.75Å; W305-A337 CarbonylContact C-O 3.3Å; W305-A337 HydrophobicContact CB-CB 3.97Å; W305-C338 HydrophobicContact CE3-CB 4.03Å; W305-C338 HydrophobicContact CZ3-CB 3.86Å |
| 306 | T | 98.8 | Very high | 98.2 | Very high | 45 Ų | 45 | 36.6 Ų | 36.6 | 28% | 0.276 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -62.1 | -46.4 | -178.6 | -58.8 | 0 | 0 | 0 | 0 | 111.7 | W302 E303 A304 A310 D335 | W302-T306 WeakPolarHBondContact O-CB 3.17Å; W302-T306 PolarHBondContact O-N 3.37Å; W302-T306 PolarHBondContact O-OG1 3Å; E303-T306 PolarHBondContact O-N 3.35Å; A304-T306 PolarHBondContact O-N 3.34Å; T306-A310 WeakPolarHBondContact O-CB 3.45Å; T306-A310 PolarHBondContact O-N 3.35Å; T306-A310 VanDerWaalsContact O-N 3.1Å; T306-D335 WeakPolarHBondContact CG2-O 3.27Å; T306-D335 PolarHBondContact OG1-O 2.71Å |
| 307 | K | 98.5 | Very high | 98.2 | Very high | 96 Ų | 96 | 36.6 Ų | 36.6 | 42% | 0.417 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -60 | -48.7 | 177.6 | -79 | 173.9 | 170 | 173.8 | 0 | 111.5 | E303 A304 W305 A310 T311 | E303-K307 HydrophobicContact CG-CD 4.13Å; E303-K307 WeakPolarHBondContact O-CB 3.45Å; E303-K307 WeakPolarHBondContact O-CG 3.39Å; E303-K307 PolarHBondContact O-N 3.45Å; E303-K307 WeakPolarHBondContact OE1-CE 3.42Å; E303-K307 IonicContact OE1-NZ 2.89Å; E303-K307 PolarHBondContact OE1-NZ 3.5Å; A304-K307 PolarHBondContact O-N 2.94Å; W305-K307 PolarHBondContact O-N 3.45Å; K307-A310 PolarHBondContact O-N 3.26Å; K307-T311 WeakPolarHBondContact O-CG2 3.2Å; K307-T311 PolarHBondContact O-N 3.03Å |
| 308 | F | 98.8 | Very high | 98.2 | Very high | 2 Ų | 2 | 36.6 Ų | 36.6 | 1% | 0.009 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.8 | -48.1 | -178.2 | 178 | -112.5 | 0 | 0 | 0 | 112 | A278 Y281 K282 I293 P296 F297 A304 W305 A310 T311 T312 V316 | A278-F308 HydrophobicContact CB-CD2 4.02Å; Y281-F308 HydrophobicContact CD2-CE2 4.13Å; Y281-F308 HydrophobicContact CD2-CZ 4.13Å; Y281-F308 HydrophobicContact CG-CE2 4.43Å; Y281-F308 HydrophobicContact CG-CZ 4.32Å; K282-F308 HydrophobicContact CG-CE2 4.44Å; I293-F308 HydrophobicContact CD1-CZ 4.17Å; P296-F308 HydrophobicContact CB-CD1 4.37Å; P296-F308 HydrophobicContact CB-CE1 4.34Å; P296-F308 HydrophobicContact CG-CD1 4.16Å; P296-F308 HydrophobicContact CG-CE1 4.34Å; F297-F308 HydrophobicContact CD2-CB 4.48Å; F297-F308 HydrophobicContact CE2-CB 3.37Å; F297-F308 AromaticContact CE2-CD1 3.98Å; F297-F308 HydrophobicContact CE2-CD1 3.98Å; F297-F308 AromaticContact CE2-CG 3.73Å; F297-F308 HydrophobicContact CE2-CG 3.73Å; F297-F308 HydrophobicContact CZ-CB 3.85Å; F297-F308 HydrophobicContact CZ-CG 4.12Å; A304-F308 WeakPolarHBondContact O-CB 3.38Å; A304-F308 PolarHBondContact O-N 3.02Å; W305-F308 PolarHBondContact O-N 3.06Å; F308-A310 PolarHBondContact O-N 3.08Å; F308-T311 PolarHBondContact O-N 3.13Å; F308-T311 PolarHBondContact O-OG1 3.09Å; F308-T312 HydrophobicContact CE1-CG2 4.21Å; F308-T312 HydrophobicContact CZ-CG2 4.31Å; F308-T312 PolarHBondContact O-N 2.73Å; F308-V316 HydrophobicContact CD1-CG2 4.27Å; F308-V316 HydrophobicContact CE1-CG2 4.03Å |
| 309 | T | 98.8 | Very high | 98.2 | Very high | 19 Ų | 19 | 35.9 Ų | 35.9 | 12% | 0.117 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -58.8 | -35 | 179.2 | -66.9 | 0 | 0 | 0 | 0 | 111.9 | W305 T311 K336 A337 | W305-T309 WeakPolarHBondContact O-CB 3.36Å; W305-T309 PolarHBondContact O-N 2.98Å; W305-T309 PolarHBondContact O-OG1 2.77Å; W305-T309 VanDerWaalsContact O-OG1 3.11Å; T309-T311 PolarHBondContact O-N 2.76Å; T309-K336 WeakPolarHBondContact CG2-O 3.48Å; T309-A337 WeakPolarHBondContact CB-O 3.38Å; T309-A337 PolarHBondContact OG1-O 3.47Å |
| 310 | A | 98.4 | Very high | 98.1 | Very high | 87 Ų | 87 | 35 Ų | 35 | 72% | 0.719 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -67.3 | -19.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | T306 K307 F308 | T306-A310 WeakPolarHBondContact O-CB 3.45Å; T306-A310 PolarHBondContact O-N 3.35Å; T306-A310 VanDerWaalsContact O-N 3.1Å; K307-A310 PolarHBondContact O-N 3.26Å; F308-A310 PolarHBondContact O-N 3.08Å |
| 311 | T | 97.2 | Very high | 98.1 | Very high | 84 Ų | 84 | 31.9 Ų | 31.9 | 52% | 0.515 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | -1.1 | -175.5 | 65.1 | 0 | 0 | 0 | 0 | 114.4 | K282 K307 F308 T309 | K282-T311 WeakPolarHBondContact CE-OG1 3.5Å; K307-T311 WeakPolarHBondContact O-CG2 3.2Å; K307-T311 PolarHBondContact O-N 3.03Å; F308-T311 PolarHBondContact O-N 3.13Å; F308-T311 PolarHBondContact O-OG1 3.09Å; T309-T311 PolarHBondContact O-N 2.76Å |
| 312 | T | 96.7 | Very high | 98.1 | Very high | 29 Ų | 29 | 30.7 Ų | 30.7 | 18% | 0.178 | 18% | 0.18 | C | C | . | . | trans | -134.1 | 149.8 | -175.6 | -167.7 | 0 | 0 | 0 | 0 | 112.9 | F308 I314 V316 | F308-T312 HydrophobicContact CE1-CG2 4.21Å; F308-T312 HydrophobicContact CZ-CG2 4.31Å; F308-T312 PolarHBondContact O-N 2.73Å; T312-I314 HydrophobicContact CG2-CG1 3.93Å; T312-I314 WeakPolarHBondContact OG1-CG1 3.32Å; T312-I314 PolarHBondContact OG1-N 2.78Å; T312-V316 HydrophobicContact CG2-CG2 3.84Å | ||
| 313 | S | 96.3 | Very high | 98 | Very high | 103 Ų | 103 | 29.1 Ų | 29.1 | 72% | 0.72 | 18% | 0.175 | S | C | * | . | trans | -97.5 | -6.1 | 175.2 | 61 | 0 | 0 | 0 | 0 | 113.2 | R430 | S313-R430 PolarHBondContact O-NH1 2.94Š| ||
| 314 | I | 98.6 | Very high | 98 | Very high | 12 Ų | 12 | 23.3 Ų | 23.3 | 6% | 0.062 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -70.5 | 174.3 | -178.8 | 76.3 | 170 | 0 | 0 | 0 | 111.2 | V285 V291 I293 T312 V316 N339 R430 | V285-I314 HydrophobicContact CG1-CG2 3.77Å; V285-I314 HydrophobicContact CG2-CD1 3.71Å; V285-I314 HydrophobicContact CG2-CG2 4.32Å; V291-I314 WeakPolarHBondContact O-CB 3.38Å; I293-I314 HydrophobicContact CB-CD1 4.23Å; I293-I314 HydrophobicContact CD1-CD1 3.67Å; I293-I314 HydrophobicContact CG1-CD1 3.68Å; T312-I314 HydrophobicContact CG2-CG1 3.93Å; T312-I314 WeakPolarHBondContact OG1-CG1 3.32Å; T312-I314 PolarHBondContact OG1-N 2.78Å; I314-V316 HydrophobicContact CG1-CG2 4.47Å; I314-N339 PolarHBondContact O-ND2 2.86Å; I314-R430 PolarHBondContact O-NH2 2.9Å; I314-R430 VanDerWaalsContact O-NH2 3.08Å |
| 315 | Q | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 129.1 | 168.1 | -175.9 | 168.9 | -89.3 | 0 | 0 | 110.4 | V291 S292 I293 V317 N339 C340 | V291-Q315 WeakPolarHBondContact O-CB 3.1Å; V291-Q315 PolarHBondContact O-N 3.07Å; S292-Q315 CarbonylContact C-O 3.59Å; S292-Q315 VanDerWaalsContact CA-O 3.28Å; S292-Q315 WeakPolarHBondContact CA-O 3.37Å; S292-Q315 PolarHBondContact OG-NE2 3.1Å; I293-Q315 PolarHBondContact N-O 2.99Å; Q315-V317 HydrophobicContact CG-CG2 3.83Å; Q315-N339 VanDerWaalsContact CA-OD1 3.32Å; Q315-N339 WeakPolarHBondContact CA-OD1 3.5Å; Q315-C340 VanDerWaalsContact CD-SG 3.56Å; Q315-C340 HydrophobicContact CG-CB 3.48Å; Q315-C340 VanDerWaalsContact CG-CB 3.48Å |
| 316 | V | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 115 | 171.3 | -177 | 0 | 0 | 0 | 0 | 106.9 | I293 P296 W305 F308 T312 I314 C338 N339 C340 | I293-V316 CarbonylContact O-C 3.44Å; I293-V316 WeakPolarHBondContact O-CA 3.25Å; P296-V316 HydrophobicContact CG-CG1 4.12Å; W305-V316 HydrophobicContact CE3-CG1 4Å; W305-V316 HydrophobicContact CZ3-CG1 3.82Å; F308-V316 HydrophobicContact CD1-CG2 4.27Å; F308-V316 HydrophobicContact CE1-CG2 4.03Å; T312-V316 HydrophobicContact CG2-CG2 3.84Å; I314-V316 HydrophobicContact CG1-CG2 4.47Å; V316-C338 HydrophobicContact CB-CB 4.36Å; V316-C338 HydrophobicContact CG1-CB 4Å; V316-C338 WeakPolarHBondContact O-CB 3.14Å; V316-N339 PolarHBondContact N-OD1 3.23Å; V316-N339 PolarHBondContact O-N 3.02Å; V316-N339 PolarHBondContact O-OD1 3.18Å; V316-C340 PolarHBondContact O-N 3.28Å |
| 317 | V | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 126.6 | -172 | -168.9 | 0 | 0 | 0 | 0 | 109.3 | S292 I293 E294 D295 W305 Q315 C340 L342 | S292-V317 WeakPolarHBondContact OG-CG2 3.41Å; I293-V317 PolarHBondContact O-N 3.26Å; E294-V317 WeakPolarHBondContact CA-O 3.44Å; E294-V317 HydrophobicContact CB-CB 3.8Å; E294-V317 HydrophobicContact CB-CG1 4.42Å; E294-V317 HydrophobicContact CB-CG2 4.34Å; E294-V317 HydrophobicContact CG-CB 4.06Å; E294-V317 HydrophobicContact CG-CG1 4.2Å; D295-V317 PolarHBondContact N-O 3.49Å; D295-V317 VanDerWaalsContact N-O 3.12Å; W305-V317 WeakPolarHBondContact CH2-O 3.32Å; W305-V317 WeakPolarHBondContact CZ3-O 3.36Å; Q315-V317 HydrophobicContact CG-CG2 3.83Å; V317-C340 CarbonylContact C-O 3.57Å; V317-C340 WeakPolarHBondContact CA-O 3.48Å; V317-C340 HydrophobicContact CB-CB 4.34Å; V317-C340 HydrophobicContact CG1-CB 4.39Å; V317-C340 HydrophobicContact CG2-CB 3.97Å; V317-L342 HydrophobicContact CG1-CB 3.74Å; V317-L342 HydrophobicContact CG1-CD1 4.18Å |
| 318 | G | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 115.5 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111 | T322 C340 L342 | G318-T322 PolarHBondContact O-OG1 2.73Å; G318-C340 PolarHBondContact N-O 2.7Å; G318-L342 PolarHBondContact O-N 2.98Å |
| 319 | D | 97.6 | Very high | 97.5 | Very high | 2 Ų | 2 | 28.1 Ų | 28.1 | 1% | 0.011 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -104.9 | -84.2 | 170.7 | 175.9 | 26.7 | 0 | 0 | 0 | 109.8 | E294 D295 L321 T322 V323 L342 K344 Q347 | E294-D319 HydrophobicContact CG-CB 3.98Å; D295-D319 PolarHBondContact OD1-N 3.33Å; D295-D319 WeakPolarHBondContact OD2-CB 3.3Å; D319-L321 PolarHBondContact O-N 3.14Å; D319-T322 PolarHBondContact O-N 2.99Å; D319-T322 PolarHBondContact O-OG1 3.06Å; D319-V323 WeakPolarHBondContact O-CA 3.27Å; D319-V323 PolarHBondContact O-N 3.45Å; D319-L342 HydrophobicContact CB-CB 3.82Å; D319-L342 HydrophobicContact CB-CD2 3.61Å; D319-L342 HydrophobicContact CB-CG 4.36Å; D319-L342 WeakPolarHBondContact OD2-CD2 3.16Å; D319-K344 WeakPolarHBondContact OD1-CE 3.21Å; D319-K344 IonicContact OD1-NZ 3.99Å; D319-K344 PolarHBondContact OD1-NZ 3.01Å; D319-K344 IonicContact OD2-NZ 2.7Å; D319-K344 PolarHBondContact OD2-NZ 3.28Å; D319-Q347 PolarHBondContact OD1-NE2 3.38Å |
| 320 | D | 95 | Very high | 97.5 | Very high | 3 Ų | 3 | 29.5 Ų | 29.5 | 2% | 0.016 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -27.4 | 177.4 | -72.1 | -27.7 | 0 | 0 | 0 | 112 | G43 D295 Q299 T322 V323 | G43-D320 WeakPolarHBondContact CA-OD1 3.46Å; G43-D320 PolarHBondContact N-OD1 2.97Å; G43-D320 VanDerWaalsContact N-OD1 3.16Å; D295-D320 PolarHBondContact OD1-N 3.45Å; D295-D320 VanDerWaalsContact OD2-CB 3.31Å; D295-D320 WeakPolarHBondContact OD2-CB 3.36Å; D295-D320 PolarHBondContact OD2-N 2.94Å; Q299-D320 HydrophobicContact CB-CB 4.03Å; D320-T322 PolarHBondContact O-N 3.05Å; D320-V323 WeakPolarHBondContact O-CG1 3.47Å |
| 321 | L | 98 | Very high | 97.5 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | -38.7 | 171 | -179.7 | 70.2 | 0 | 0 | 0 | 112.1 | Q299 W302 W305 D319 R328 A337 C338 | Q299-L321 WeakPolarHBondContact O-CD1 3.27Å; W302-L321 HydrophobicContact CD2-CD1 3.92Å; W302-L321 HydrophobicContact CE3-CD1 3.76Å; W302-L321 HydrophobicContact CH2-CD1 3.58Å; W302-L321 HydrophobicContact CH2-CG 3.91Å; W302-L321 HydrophobicContact CZ2-CD1 3.77Å; W302-L321 HydrophobicContact CZ2-CG 4.49Å; W302-L321 HydrophobicContact CZ3-CD1 3.55Å; W302-L321 HydrophobicContact CZ3-CD2 4.08Å; W302-L321 HydrophobicContact CZ3-CG 3.93Å; W305-L321 HydrophobicContact CD2-CD1 4.32Å; W305-L321 HydrophobicContact CD2-CD2 3.67Å; W305-L321 HydrophobicContact CD2-CG 4.42Å; W305-L321 HydrophobicContact CE3-CD2 3.64Å; W305-L321 HydrophobicContact CG-CD1 4.32Å; W305-L321 HydrophobicContact CG-CD2 4.22Å; W305-L321 HydrophobicContact CH2-CB 3.86Å; W305-L321 HydrophobicContact CH2-CD2 3.93Å; W305-L321 HydrophobicContact CH2-CG 4.47Å; W305-L321 HydrophobicContact CZ2-CB 3.6Å; W305-L321 HydrophobicContact CZ2-CD1 4.47Å; W305-L321 HydrophobicContact CZ2-CD2 4.04Å; W305-L321 HydrophobicContact CZ2-CG 4.23Å; W305-L321 HydrophobicContact CZ3-CD2 3.75Å; D319-L321 PolarHBondContact O-N 3.14Å; L321-R328 PolarHBondContact O-NE 3.26Å; L321-A337 HydrophobicContact CD2-CB 4.1Å; L321-C338 HydrophobicContact CD2-CB 4.38Å |
| 322 | T | 98.2 | Very high | 97.6 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.5 | -26.8 | -170 | 69.3 | 0 | 0 | 0 | 0 | 113.6 | G318 D319 D320 T324 N325 I329 L341 W366 | G318-T322 PolarHBondContact O-OG1 2.73Å; D319-T322 PolarHBondContact O-N 2.99Å; D319-T322 PolarHBondContact O-OG1 3.06Å; D320-T322 PolarHBondContact O-N 3.05Å; T322-T324 PolarHBondContact O-N 3.22Å; T322-N325 WeakPolarHBondContact O-CB 3.46Å; T322-N325 PolarHBondContact O-N 2.96Å; T322-I329 HydrophobicContact CG2-CG1 4.38Å; T322-L341 WeakPolarHBondContact OG1-CD1 3.44Å; T322-W366 HydrophobicContact CG2-CZ3 4.38Å |
| 323 | V | 96.4 | Very high | 97.6 | Very high | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.006 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 41.6 | 36.6 | -177.3 | -68.1 | 0 | 0 | 0 | 0 | 113.6 | E46 D319 D320 N325 Q347 | E46-V323 HydrophobicContact CG-CB 3.91Å; E46-V323 HydrophobicContact CG-CG1 3.68Å; D319-V323 WeakPolarHBondContact O-CA 3.27Å; D319-V323 PolarHBondContact O-N 3.45Å; D320-V323 WeakPolarHBondContact O-CG1 3.47Å; V323-N325 HydrophobicContact CG2-CB 3.76Å; V323-N325 PolarHBondContact O-N 3.41Å; V323-Q347 VanDerWaalsContact C-OE1 3.24Å; V323-Q347 WeakPolarHBondContact O-CB 3.49Å |
| 324 | T | 97.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.7 | 23 | -173 | -45.2 | 0 | 0 | 0 | 0 | 113.4 | T322 L342 L343 K344 Q347 I348 A357 | T322-T324 PolarHBondContact O-N 3.22Å; T324-L342 PolarHBondContact OG1-O 2.61Å; T324-L343 HydrophobicContact CG2-CG 4.11Å; T324-K344 PolarHBondContact OG1-N 3.31Å; T324-K344 PolarHBondContact OG1-O 2.79Å; T324-Q347 PolarHBondContact OG1-OE1 3.48Å; T324-I348 HydrophobicContact CG2-CB 4.06Å; T324-I348 HydrophobicContact CG2-CG2 3.91Å; T324-A357 HydrophobicContact CG2-CB 3.99Å |
| 325 | N | 95.6 | Very high | 97.7 | Very high | 35 Ų | 35 | 26.3 Ų | 26.3 | 19% | 0.187 | 15% | 0.148 | C | C | . | . | trans | -96.1 | 120.6 | -175.6 | -177.2 | -50.2 | 0 | 0 | 0 | 110.9 | T322 V323 K327 R328 I329 | T322-N325 WeakPolarHBondContact O-CB 3.46Å; T322-N325 PolarHBondContact O-N 2.96Å; V323-N325 HydrophobicContact CG2-CB 3.76Å; V323-N325 PolarHBondContact O-N 3.41Å; N325-K327 PolarHBondContact O-N 2.96Å; N325-K327 VanDerWaalsContact O-N 3.1Å; N325-K327 WeakPolarHBondContact OD1-CB 3.35Å; N325-K327 PolarHBondContact OD1-N 2.87Å; N325-R328 HydrophobicContact CB-CB 4.46Å; N325-R328 HydrophobicContact CB-CG 4.49Å; N325-R328 PolarHBondContact O-N 2.92Å; N325-I329 VanDerWaalsContact O-CG1 3.31Å; N325-I329 WeakPolarHBondContact O-CG1 3.44Å; N325-I329 PolarHBondContact O-N 2.8Å | ||
| 326 | P | 95 | Very high | 97.7 | Very high | 47 Ų | 47 | 33.7 Ų | 33.7 | 31% | 0.305 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -53.9 | -34.2 | -177.7 | -29.5 | 36.1 | 0 | 0 | 0 | 115.2 | A330 L360 | P326-A330 VanDerWaalsContact O-CB 3.3Å; P326-A330 WeakPolarHBondContact O-CB 3.19Å; P326-A330 PolarHBondContact O-N 3.43Å; P326-L360 HydrophobicContact CB-CD2 4.29Å |
| 327 | K | 96.1 | Very high | 97.7 | Very high | 140 Ų | 140 | 33.7 Ų | 33.7 | 61% | 0.609 | 18% | 0.18 | S | C | * | . | H | α-helix | trans | -68.2 | -43.4 | 178.7 | -64 | -179.8 | -179.2 | 176 | 0 | 111.5 | E102 N325 A330 K331 | E102-K327 IonicContact OE1-NZ 2.97Å; E102-K327 PolarHBondContact OE1-NZ 3.04Å; N325-K327 PolarHBondContact O-N 2.96Å; N325-K327 VanDerWaalsContact O-N 3.1Å; N325-K327 WeakPolarHBondContact OD1-CB 3.35Å; N325-K327 PolarHBondContact OD1-N 2.87Å; K327-A330 PolarHBondContact O-N 2.84Å; K327-K331 PolarHBondContact O-N 2.92Å |
| 328 | R | 97.9 | Very high | 97.7 | Very high | 28 Ų | 28 | 33.9 Ų | 33.9 | 11% | 0.106 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -73.3 | -37.2 | 178.4 | -64.2 | -163.8 | 73.4 | 97.4 | -7 | 111.7 | Y45 Q299 D300 W302 L321 N325 A330 K331 G332 | Y45-R328 VanDerWaalsContact CD2-CZ 3.5Å; Y45-R328 VanDerWaalsContact CE2-CZ 3.47Å; Q299-R328 PolarHBondContact O-NH2 3Å; D300-R328 IonicContact OD1-CZ 2.64Å; D300-R328 IonicContact OD1-NH1 3.42Å; D300-R328 PolarHBondContact OD1-NH1 2.81Å; D300-R328 IonicContact OD1-NH2 3.79Å; D300-R328 PolarHBondContact OD1-NH2 3.23Å; W302-R328 VanDerWaalsContact CZ2-NH2 3.26Å; L321-R328 PolarHBondContact O-NE 3.26Å; N325-R328 HydrophobicContact CB-CB 4.46Å; N325-R328 HydrophobicContact CB-CG 4.49Å; N325-R328 PolarHBondContact O-N 2.92Å; R328-A330 PolarHBondContact O-N 2.83Å; R328-K331 PolarHBondContact O-N 2.96Å; R328-G332 PolarHBondContact O-N 3.43Å |
| 329 | I | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -57.8 | -49.4 | 171 | -64.5 | 165.2 | 0 | 0 | 0 | 110.1 | T322 N325 K331 G332 V333 L341 A357 L360 W366 | T322-I329 HydrophobicContact CG2-CG1 4.38Å; N325-I329 VanDerWaalsContact O-CG1 3.31Å; N325-I329 WeakPolarHBondContact O-CG1 3.44Å; N325-I329 PolarHBondContact O-N 2.8Å; I329-K331 VanDerWaalsContact C-N 3.31Å; I329-K331 PolarHBondContact O-N 3.44Å; I329-G332 PolarHBondContact O-N 3.31Å; I329-G332 VanDerWaalsContact O-N 3.16Å; I329-V333 HydrophobicContact CG2-CG2 4.47Å; I329-V333 WeakPolarHBondContact O-CG2 3.36Å; I329-V333 PolarHBondContact O-N 2.84Å; I329-L341 HydrophobicContact CD1-CD1 3.94Å; I329-L341 HydrophobicContact CD1-CD2 3.87Å; I329-L341 HydrophobicContact CG1-CD1 4.07Å; I329-A357 HydrophobicContact CD1-CB 3.79Å; I329-L360 HydrophobicContact CB-CD2 3.94Å; I329-L360 HydrophobicContact CG2-CD2 3.63Å; I329-L360 HydrophobicContact CG2-CG 3.83Å; I329-W366 HydrophobicContact CG2-CZ3 4.25Å |
| 330 | A | 98.3 | Very high | 97.8 | Very high | 48 Ų | 48 | 35.3 Ų | 35.3 | 40% | 0.397 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -59.8 | -40.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | P326 K327 R328 V333 A334 | P326-A330 VanDerWaalsContact O-CB 3.3Å; P326-A330 WeakPolarHBondContact O-CB 3.19Å; P326-A330 PolarHBondContact O-N 3.43Å; K327-A330 PolarHBondContact O-N 2.84Å; R328-A330 PolarHBondContact O-N 2.83Å; A330-V333 PolarHBondContact O-N 2.81Å; A330-A334 WeakPolarHBondContact O-CB 3.41Å; A330-A334 PolarHBondContact O-N 3.08Å |
| 331 | K | 98.5 | Very high | 98 | Very high | 87 Ų | 87 | 35.1 Ų | 35.1 | 38% | 0.378 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -63 | -47.5 | 173.1 | 178.9 | 169.3 | 169.4 | 51.2 | 0 | 111.9 | W302 K327 R328 I329 V333 A334 D335 | W302-K331 HydrophobicContact CD2-CD 4.2Å; W302-K331 VanDerWaalsContact CD2-CE 3.43Å; W302-K331 HydrophobicContact CD2-CG 4.45Å; W302-K331 HydrophobicContact CE3-CD 4.46Å; W302-K331 HydrophobicContact CE3-CG 4.21Å; W302-K331 HydrophobicContact CH2-CB 4.06Å; W302-K331 HydrophobicContact CH2-CD 3.97Å; W302-K331 HydrophobicContact CH2-CG 3.81Å; W302-K331 HydrophobicContact CZ2-CB 4.49Å; W302-K331 HydrophobicContact CZ2-CD 3.63Å; W302-K331 HydrophobicContact CZ2-CG 4.02Å; W302-K331 HydrophobicContact CZ3-CB 4.43Å; W302-K331 HydrophobicContact CZ3-CD 4.39Å; W302-K331 HydrophobicContact CZ3-CG 3.93Å; K327-K331 PolarHBondContact O-N 2.92Å; R328-K331 PolarHBondContact O-N 2.96Å; I329-K331 VanDerWaalsContact C-N 3.31Å; I329-K331 PolarHBondContact O-N 3.44Å; K331-V333 VanDerWaalsContact C-N 3.28Å; K331-V333 PolarHBondContact O-N 3.48Å; K331-A334 PolarHBondContact O-N 2.83Å; K331-A334 VanDerWaalsContact O-N 3.12Å; K331-D335 WeakPolarHBondContact CG-OD2 3.35Å; K331-D335 IonicContact NZ-OD2 3.89Å; K331-D335 PolarHBondContact NZ-OD2 2.7Å; K331-D335 WeakPolarHBondContact O-CB 3.45Å; K331-D335 PolarHBondContact O-N 2.94Å |
| 332 | G | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.8 | -34.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | R328 I329 K336 A337 W366 | R328-G332 PolarHBondContact O-N 3.43Å; I329-G332 PolarHBondContact O-N 3.31Å; I329-G332 VanDerWaalsContact O-N 3.16Å; G332-K336 CarbonylContact O-C 3.57Å; G332-K336 WeakPolarHBondContact O-CA 3.5Å; G332-K336 PolarHBondContact O-N 2.68Å; G332-A337 PolarHBondContact O-N 2.7Å; G332-W366 WeakPolarHBondContact O-CZ2 3.35Å |
| 333 | V | 98.5 | Very high | 98 | Very high | 31 Ų | 31 | 35.1 Ų | 35.1 | 19% | 0.188 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.2 | -49.7 | 170.9 | 167.3 | 0 | 0 | 0 | 0 | 110.9 | I329 A330 K331 D335 K336 N364 W366 | I329-V333 HydrophobicContact CG2-CG2 4.47Å; I329-V333 WeakPolarHBondContact O-CG2 3.36Å; I329-V333 PolarHBondContact O-N 2.84Å; A330-V333 PolarHBondContact O-N 2.81Å; K331-V333 VanDerWaalsContact C-N 3.28Å; K331-V333 PolarHBondContact O-N 3.48Å; V333-D335 PolarHBondContact O-N 3.16Å; V333-K336 PolarHBondContact O-N 2.89Å; V333-N364 HydrophobicContact CG1-CB 3.85Å; V333-N364 WeakPolarHBondContact CG1-OD1 3.24Å; V333-N364 HydrophobicContact CG2-CB 3.81Å; V333-W366 HydrophobicContact CB-CZ2 4.26Å; V333-W366 HydrophobicContact CG2-CD2 4.2Å; V333-W366 HydrophobicContact CG2-CH2 4.01Å; V333-W366 HydrophobicContact CG2-CZ2 3.63Å; V333-W366 HydrophobicContact CG2-CZ3 4.45Å |
| 334 | A | 98.5 | Very high | 98.1 | Very high | 73 Ų | 73 | 35.7 Ų | 35.7 | 60% | 0.603 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -61.7 | -43.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | A330 K331 K336 | A330-A334 WeakPolarHBondContact O-CB 3.41Å; A330-A334 PolarHBondContact O-N 3.08Å; K331-A334 PolarHBondContact O-N 2.83Å; K331-A334 VanDerWaalsContact O-N 3.12Å; A334-K336 VanDerWaalsContact C-N 3.29Å; A334-K336 PolarHBondContact O-N 3.33Å |
| 335 | D | 98.4 | Very high | 98.1 | Very high | 58 Ų | 58 | 36 Ų | 36 | 31% | 0.31 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -81.1 | -11 | -179.1 | -64.3 | -11.6 | 0 | 0 | 0 | 112.4 | T306 K331 V333 A337 | T306-D335 WeakPolarHBondContact CG2-O 3.27Å; T306-D335 PolarHBondContact OG1-O 2.71Å; K331-D335 WeakPolarHBondContact CG-OD2 3.35Å; K331-D335 IonicContact NZ-OD2 3.89Å; K331-D335 PolarHBondContact NZ-OD2 2.7Å; K331-D335 WeakPolarHBondContact O-CB 3.45Å; K331-D335 PolarHBondContact O-N 2.94Å; V333-D335 PolarHBondContact O-N 3.16Å; D335-A337 HydrophobicContact CB-CB 4.4Å; D335-A337 PolarHBondContact O-N 3.2Å |
| 336 | K | 98.6 | Very high | 98.2 | Very high | 155 Ų | 155 | 35.1 Ų | 35.1 | 67% | 0.674 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.4 | 38.9 | -170 | -53.9 | 178.2 | -178.5 | 177.7 | 0 | 112.1 | T309 G332 V333 A334 | T309-K336 WeakPolarHBondContact CG2-O 3.48Å; G332-K336 CarbonylContact O-C 3.57Å; G332-K336 WeakPolarHBondContact O-CA 3.5Å; G332-K336 PolarHBondContact O-N 2.68Å; V333-K336 PolarHBondContact O-N 2.89Å; A334-K336 VanDerWaalsContact C-N 3.29Å; A334-K336 PolarHBondContact O-N 3.33Å |
| 337 | A | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.174 | C | C | . | . | trans | -69.2 | -35.2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | W302 W305 T309 L321 G332 D335 | W302-A337 HydrophobicContact CE3-CB 3.76Å; W302-A337 HydrophobicContact CZ3-CB 3.86Å; W305-A337 CarbonylContact C-O 3.3Å; W305-A337 HydrophobicContact CB-CB 3.97Å; T309-A337 WeakPolarHBondContact CB-O 3.38Å; T309-A337 PolarHBondContact OG1-O 3.47Å; L321-A337 HydrophobicContact CD2-CB 4.1Å; G332-A337 PolarHBondContact O-N 2.7Å; D335-A337 HydrophobicContact CB-CB 4.4Å; D335-A337 PolarHBondContact O-N 3.2Å | ||
| 338 | C | 98.8 | Very high | 98.3 | Very high | 3 Ų | 3 | 26.8 Ų | 26.8 | 2% | 0.02 | 15% | 0.147 | C | C | . | . | trans | -146.1 | -179 | 175.5 | 68.9 | 0 | 0 | 0 | 0 | 110.6 | W305 V316 L321 W366 | W305-C338 HydrophobicContact CE3-CB 4.03Å; W305-C338 HydrophobicContact CZ3-CB 3.86Å; V316-C338 HydrophobicContact CB-CB 4.36Å; V316-C338 HydrophobicContact CG1-CB 4Å; V316-C338 WeakPolarHBondContact O-CB 3.14Å; L321-C338 HydrophobicContact CD2-CB 4.38Å; C338-W366 WeakPolarHBondContact O-CZ2 3.4Å; C338-W366 PolarHBondContact O-NE1 3.11Å; C338-W366 WeakPolarHBondContact SG-CH2 3.37Å; C338-W366 WeakPolarHBondContact SG-CZ3 3.38Å | ||
| 339 | N | 98.8 | Very high | 98.2 | Very high | 32 Ų | 32 | 25.4 Ų | 25.4 | 17% | 0.171 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -136.8 | 13.9 | -178.9 | 66.4 | 39.3 | 0 | 0 | 0 | 113.7 | I314 Q315 V316 W366 G367 R430 | I314-N339 PolarHBondContact O-ND2 2.86Å; Q315-N339 VanDerWaalsContact CA-OD1 3.32Å; Q315-N339 WeakPolarHBondContact CA-OD1 3.5Å; V316-N339 PolarHBondContact N-OD1 3.23Å; V316-N339 PolarHBondContact O-N 3.02Å; V316-N339 PolarHBondContact O-OD1 3.18Å; N339-W366 VanDerWaalsContact O-CA 3.29Å; N339-W366 WeakPolarHBondContact O-CA 3.42Å; N339-G367 PolarHBondContact O-N 2.84Å; N339-R430 PolarHBondContact ND2-NH2 2.75Å; N339-R430 PolarHBondContact OD1-NH2 3.05Å |
| 340 | C | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 141.3 | 173.4 | -176.9 | 0 | 0 | 0 | 0 | 110 | Q315 V316 V317 G318 G367 | Q315-C340 VanDerWaalsContact CD-SG 3.56Å; Q315-C340 HydrophobicContact CG-CB 3.48Å; Q315-C340 VanDerWaalsContact CG-CB 3.48Å; V316-C340 PolarHBondContact O-N 3.28Å; V317-C340 CarbonylContact C-O 3.57Å; V317-C340 WeakPolarHBondContact CA-O 3.48Å; V317-C340 HydrophobicContact CB-CB 4.34Å; V317-C340 HydrophobicContact CG1-CB 4.39Å; V317-C340 HydrophobicContact CG2-CB 3.97Å; G318-C340 PolarHBondContact N-O 2.7Å; C340-G367 CarbonylContact C-O 3.56Å; C340-G367 VanDerWaalsContact CA-O 3.25Å; C340-G367 WeakPolarHBondContact CA-O 3.5Å; C340-G367 VanDerWaalsContact SG-C 3.5Å; C340-G367 PolarHBondContact SG-O 3.08Å |
| 341 | L | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 132.5 | 171.4 | 168.5 | 63.9 | 0 | 0 | 0 | 109.4 | T322 I329 L343 A357 A361 W366 G367 V368 M369 | T322-L341 WeakPolarHBondContact OG1-CD1 3.44Å; I329-L341 HydrophobicContact CD1-CD1 3.94Å; I329-L341 HydrophobicContact CD1-CD2 3.87Å; I329-L341 HydrophobicContact CG1-CD1 4.07Å; L341-L343 HydrophobicContact CD2-CB 4.39Å; L341-L343 HydrophobicContact CD2-CD1 4.36Å; L341-L343 HydrophobicContact CG-CB 4.39Å; L341-A357 HydrophobicContact CD2-CB 4.31Å; L341-A361 HydrophobicContact CB-CB 3.92Å; L341-A361 HydrophobicContact CD2-CB 4Å; L341-W366 HydrophobicContact CB-CE3 4.42Å; L341-G367 PolarHBondContact N-O 3.49Å; L341-V368 HydrophobicContact CB-CG2 4.34Å; L341-V368 HydrophobicContact CD2-CG1 4.41Å; L341-V368 CarbonylContact O-C 3.54Å; L341-V368 WeakPolarHBondContact O-CA 3.42Å; L341-M369 PolarHBondContact O-N 2.83Å |
| 342 | L | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 117.7 | 157.9 | -160.3 | 75.2 | 0 | 0 | 0 | 108.5 | E294 V317 G318 D319 T324 K344 M369 K395 | E294-L342 WeakPolarHBondContact OE1-CD2 3.44Å; E294-L342 WeakPolarHBondContact OE2-CD1 3.35Å; V317-L342 HydrophobicContact CG1-CB 3.74Å; V317-L342 HydrophobicContact CG1-CD1 4.18Å; G318-L342 PolarHBondContact O-N 2.98Å; D319-L342 HydrophobicContact CB-CB 3.82Å; D319-L342 HydrophobicContact CB-CD2 3.61Å; D319-L342 HydrophobicContact CB-CG 4.36Å; D319-L342 WeakPolarHBondContact OD2-CD2 3.16Å; T324-L342 PolarHBondContact OG1-O 2.61Å; L342-K344 HydrophobicContact CD2-CD 4.2Å; L342-K344 HydrophobicContact CD2-CG 4.44Å; L342-M369 WeakPolarHBondContact CA-O 3.33Å; L342-M369 HydrophobicContact CD1-CB 3.9Å; L342-M369 HydrophobicContact CD1-CG 3.87Å; L342-M369 HydrophobicContact CD1-SD 3.8Å; L342-K395 HydrophobicContact CD1-CD 4.36Å |
| 343 | L | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 108 | -176.3 | -172.6 | 150.3 | 0 | 0 | 0 | 110 | T324 L341 V345 S354 C358 V368 M369 V370 S371 L385 L389 | T324-L343 HydrophobicContact CG2-CG 4.11Å; L341-L343 HydrophobicContact CD2-CB 4.39Å; L341-L343 HydrophobicContact CD2-CD1 4.36Å; L341-L343 HydrophobicContact CG-CB 4.39Å; L343-V345 HydrophobicContact CD2-CG1 3.93Å; L343-S354 WeakPolarHBondContact CD1-O 3.36Å; L343-C358 HydrophobicContact CD1-CB 3.62Å; L343-V368 HydrophobicContact CB-CG1 3.72Å; L343-V368 HydrophobicContact CD1-CG1 3.91Å; L343-V368 HydrophobicContact CG-CG1 4.48Å; L343-M369 PolarHBondContact N-O 2.94Å; L343-V370 HydrophobicContact CD2-CG2 4.49Å; L343-S371 PolarHBondContact O-N 3.04Å; L343-L385 HydrophobicContact CD2-CD2 3.94Å; L343-L389 HydrophobicContact CD1-CD1 4.23Å |
| 344 | K | 98.5 | Very high | 98.3 | Very high | 13 Ų | 13 | 19.9 Ų | 19.9 | 6% | 0.057 | 11% | 0.108 | C | C | . | . | trans | -114.5 | 107.3 | 173.8 | -71.3 | 167 | 169.8 | 165.9 | 0 | 108.8 | D319 T324 L342 N346 Q347 | D319-K344 WeakPolarHBondContact OD1-CE 3.21Å; D319-K344 IonicContact OD1-NZ 3.99Å; D319-K344 PolarHBondContact OD1-NZ 3.01Å; D319-K344 IonicContact OD2-NZ 2.7Å; D319-K344 PolarHBondContact OD2-NZ 3.28Å; T324-K344 PolarHBondContact OG1-N 3.31Å; T324-K344 PolarHBondContact OG1-O 2.79Å; L342-K344 HydrophobicContact CD2-CD 4.2Å; L342-K344 HydrophobicContact CD2-CG 4.44Å; K344-N346 PolarHBondContact O-N 2.91Å; K344-Q347 HydrophobicContact CB-CB 4.21Å; K344-Q347 HydrophobicContact CB-CG 3.59Å; K344-Q347 VanDerWaalsContact CD-CD 3.47Å; K344-Q347 HydrophobicContact CD-CG 3.99Å; K344-Q347 HydrophobicContact CG-CG 4.44Å; K344-Q347 WeakPolarHBondContact O-CB 3.37Å; K344-Q347 PolarHBondContact O-N 3.11Å | ||
| 345 | V | 97.8 | Very high | 98.3 | Very high | 7 Ų | 7 | 17.3 Ų | 17.3 | 4% | 0.042 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -56.2 | -30.8 | -174 | -66.2 | 0 | 0 | 0 | 0 | 114 | L113 L343 G349 L385 | L113-V345 HydrophobicContact CD1-CB 4.23Å; L113-V345 HydrophobicContact CD1-CG2 4.43Å; L113-V345 HydrophobicContact CD2-CG2 4.15Å; L343-V345 HydrophobicContact CD2-CG1 3.93Å; V345-G349 PolarHBondContact O-N 3.46Å; V345-L385 HydrophobicContact CG1-CD2 3.37Å |
| 346 | N | 96.3 | Very high | 98.3 | Very high | 15 Ų | 15 | 19.1 Ų | 19.1 | 8% | 0.08 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -80.5 | -17.8 | 179.9 | 76 | -36.6 | 0 | 0 | 0 | 113.7 | V36 P37 L113 K344 I348 R373 | V36-N346 HydrophobicContact CG1-CB 4.5Å; P37-N346 HydrophobicContact CG-CB 4.35Å; P37-N346 PolarHBondContact O-ND2 2.64Å; L113-N346 VanDerWaalsContact CD2-CA 3.46Å; L113-N346 HydrophobicContact CD2-CB 3.43Å; L113-N346 VanDerWaalsContact CD2-CB 3.43Å; K344-N346 PolarHBondContact O-N 2.91Å; N346-I348 VanDerWaalsContact C-N 3.29Å; N346-R373 VanDerWaalsContact CG-NH1 3.26Å; N346-R373 PolarHBondContact ND2-NH1 3.37Å; N346-R373 VanDerWaalsContact OD1-CD 3.31Å; N346-R373 WeakPolarHBondContact OD1-CD 3.46Å; N346-R373 WeakPolarHBondContact OD1-CG 3.02Å; N346-R373 PolarHBondContact OD1-NH1 3.45Å |
| 347 | Q | 95.9 | Very high | 98.3 | Very high | 2 Ų | 2 | 11.8 Ų | 11.8 | 1% | 0.009 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -70.3 | -28.1 | 173 | -68.2 | -172.9 | -41.2 | 0 | 0 | 111.9 | E46 A47 D319 V323 T324 K344 | E46-Q347 VanDerWaalsContact CD-CG 3.45Å; E46-Q347 HydrophobicContact CG-CB 4.08Å; E46-Q347 HydrophobicContact CG-CG 3.77Å; E46-Q347 PolarHBondContact OE1-NE2 3.21Å; A47-Q347 WeakPolarHBondContact CB-O 3.25Å; A47-Q347 PolarHBondContact N-O 2.95Å; D319-Q347 PolarHBondContact OD1-NE2 3.38Å; V323-Q347 VanDerWaalsContact C-OE1 3.24Å; V323-Q347 WeakPolarHBondContact O-CB 3.49Å; T324-Q347 PolarHBondContact OG1-OE1 3.48Å; K344-Q347 HydrophobicContact CB-CB 4.21Å; K344-Q347 HydrophobicContact CB-CG 3.59Å; K344-Q347 VanDerWaalsContact CD-CD 3.47Å; K344-Q347 HydrophobicContact CD-CG 3.99Å; K344-Q347 HydrophobicContact CG-CG 4.44Å; K344-Q347 WeakPolarHBondContact O-CB 3.37Å; K344-Q347 PolarHBondContact O-N 3.11Å |
| 348 | I | 97.6 | Very high | 98.3 | Very high | 10 Ų | 10 | 11.8 Ų | 11.8 | 5% | 0.051 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -102 | -33.1 | 175.8 | -163.4 | 57.4 | 0 | 0 | 0 | 112.7 | K104 T324 N346 E353 S354 | K104-I348 WeakPolarHBondContact CD-O 3.46Å; K104-I348 WeakPolarHBondContact CE-O 3.38Å; K104-I348 PolarHBondContact NZ-O 2.84Å; T324-I348 HydrophobicContact CG2-CB 4.06Å; T324-I348 HydrophobicContact CG2-CG2 3.91Å; N346-I348 VanDerWaalsContact C-N 3.29Å; I348-E353 HydrophobicContact CB-CB 4.48Å; I348-E353 HydrophobicContact CD1-CB 4.48Å; I348-E353 HydrophobicContact CG1-CB 3.47Å; I348-E353 VanDerWaalsContact CG1-CB 3.47Å; I348-E353 HydrophobicContact CG1-CG 4.33Å; I348-E353 HydrophobicContact CG2-CB 4.19Å; I348-S354 WeakPolarHBondContact CG2-OG 3.42Å |
| 349 | G | 97.1 | Very high | 98.3 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 9% | 0.088 | C | C | . | . | trans | 96 | 3.4 | 165.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | I112 L113 V345 | I112-G349 WeakPolarHBondContact CG2-O 3.33Å; L113-G349 WeakPolarHBondContact CA-O 3.27Å; L113-G349 PolarHBondContact N-O 3.29Å; V345-G349 PolarHBondContact O-N 3.46Å | ||
| 350 | S | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 9% | 0.092 | C | C | . | . | S | Bend | trans | -147.4 | 156.3 | 168.9 | 73.9 | 0 | 0 | 0 | 0 | 112.1 | E353 S354 | S350-E353 WeakPolarHBondContact CB-OE2 3.49Å; S350-E353 WeakPolarHBondContact OG-CB 3.37Å; S350-E353 VanDerWaalsContact OG-CG 3.3Å; S350-E353 WeakPolarHBondContact OG-CG 3.35Å; S350-E353 PolarHBondContact OG-N 3.42Å; S350-E353 VanDerWaalsContact OG-N 3.17Å; S350-E353 PolarHBondContact OG-OE2 3.01Å; S350-S354 WeakPolarHBondContact O-CB 3.43Å; S350-S354 PolarHBondContact O-N 3.14Å; S350-S354 VanDerWaalsContact O-N 3.16Å; S350-S354 PolarHBondContact O-OG 3.41Å |
| 351 | V | 98.9 | Very high | 98.2 | Very high | 1 Ų | 1 | 19.3 Ų | 19.3 | 1% | 0.006 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -62.6 | -47.1 | 174.8 | 174.5 | 0 | 0 | 0 | 0 | 109.9 | Q88 S116 L117 C120 E353 S354 L355 F381 | Q88-V351 HydrophobicContact CG-CB 4.38Å; Q88-V351 HydrophobicContact CG-CG1 4.28Å; S116-V351 WeakPolarHBondContact OG-CG2 3.25Å; S116-V351 PolarHBondContact OG-N 3.35Å; L117-V351 HydrophobicContact CD2-CG2 3.72Å; C120-V351 HydrophobicContact CB-CG2 4.3Å; V351-E353 PolarHBondContact O-N 2.9Å; V351-S354 WeakPolarHBondContact O-CB 3.47Å; V351-S354 PolarHBondContact O-N 2.94Å; V351-S354 VanDerWaalsContact O-N 3.11Å; V351-L355 HydrophobicContact CG1-CD1 4.15Å; V351-L355 HydrophobicContact CG1-CG 4.24Å; V351-L355 WeakPolarHBondContact O-CG 3.38Å; V351-L355 PolarHBondContact O-N 3.34Å; V351-F381 HydrophobicContact CG1-CZ 4.42Å; V351-F381 HydrophobicContact CG2-CE1 4.3Å; V351-F381 HydrophobicContact CG2-CZ 3.72Å |
| 352 | T | 98.8 | Very high | 98.2 | Very high | 16 Ų | 16 | 22.6 Ų | 22.6 | 10% | 0.098 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -57.8 | -49.2 | -178.2 | -62.3 | 0 | 0 | 0 | 0 | 112.5 | E89 D92 S354 L355 Q356 | E89-T352 WeakPolarHBondContact CA-OG1 3.49Å; E89-T352 HydrophobicContact CB-CG2 4.1Å; E89-T352 HydrophobicContact CG-CG2 4.01Å; D92-T352 WeakPolarHBondContact OD2-CB 3.02Å; D92-T352 PolarHBondContact OD2-N 2.86Å; D92-T352 PolarHBondContact OD2-OG1 3.02Å; T352-S354 VanDerWaalsContact C-N 3.26Å; T352-S354 PolarHBondContact O-N 2.8Å; T352-L355 PolarHBondContact O-N 2.97Å; T352-Q356 WeakPolarHBondContact O-CG 3.45Å; T352-Q356 PolarHBondContact O-N 2.97Å |
| 353 | E | 98.7 | Very high | 98.2 | Very high | 33 Ų | 33 | 26.8 Ų | 26.8 | 15% | 0.154 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -66.4 | -31.4 | 178.7 | -66.7 | 164 | 107.7 | 0 | 0 | 111.6 | L96 K104 I348 S350 V351 Q356 A357 | L96-E353 HydrophobicContact CD1-CG 4.28Å; K104-E353 WeakPolarHBondContact CE-OE2 3.45Å; K104-E353 IonicContact NZ-OE1 3.01Å; K104-E353 PolarHBondContact NZ-OE1 3.45Å; K104-E353 IonicContact NZ-OE2 3.03Å; K104-E353 PolarHBondContact NZ-OE2 2.85Å; I348-E353 HydrophobicContact CB-CB 4.48Å; I348-E353 HydrophobicContact CD1-CB 4.48Å; I348-E353 HydrophobicContact CG1-CB 3.47Å; I348-E353 VanDerWaalsContact CG1-CB 3.47Å; I348-E353 HydrophobicContact CG1-CG 4.33Å; I348-E353 HydrophobicContact CG2-CB 4.19Å; S350-E353 WeakPolarHBondContact CB-OE2 3.49Å; S350-E353 WeakPolarHBondContact OG-CB 3.37Å; S350-E353 VanDerWaalsContact OG-CG 3.3Å; S350-E353 WeakPolarHBondContact OG-CG 3.35Å; S350-E353 PolarHBondContact OG-N 3.42Å; S350-E353 VanDerWaalsContact OG-N 3.17Å; S350-E353 PolarHBondContact OG-OE2 3.01Å; V351-E353 PolarHBondContact O-N 2.9Å; E353-Q356 PolarHBondContact O-N 3.33Å; E353-A357 WeakPolarHBondContact O-CB 3.33Å; E353-A357 PolarHBondContact O-N 3.45Å |
| 354 | S | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64.9 | -44.9 | 173.7 | -57.5 | 0 | 0 | 0 | 0 | 112 | L343 I348 S350 V351 T352 Q356 A357 C358 | L343-S354 WeakPolarHBondContact CD1-O 3.36Å; I348-S354 WeakPolarHBondContact CG2-OG 3.42Å; S350-S354 WeakPolarHBondContact O-CB 3.43Å; S350-S354 PolarHBondContact O-N 3.14Å; S350-S354 VanDerWaalsContact O-N 3.16Å; S350-S354 PolarHBondContact O-OG 3.41Å; V351-S354 WeakPolarHBondContact O-CB 3.47Å; V351-S354 PolarHBondContact O-N 2.94Å; V351-S354 VanDerWaalsContact O-N 3.11Å; T352-S354 VanDerWaalsContact C-N 3.26Å; T352-S354 PolarHBondContact O-N 2.8Å; S354-Q356 VanDerWaalsContact C-N 3.3Å; S354-Q356 PolarHBondContact O-N 3.37Å; S354-A357 PolarHBondContact O-N 3.21Å; S354-C358 PolarHBondContact O-N 3.02Å |
| 355 | L | 98.6 | Very high | 98.1 | Very high | 19 Ų | 19 | 31 Ų | 31 | 10% | 0.099 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60.6 | -41.9 | 175.3 | -62.4 | 175.8 | 0 | 0 | 0 | 110.9 | I135 L138 A139 V351 T352 C358 K359 L385 L389 | I135-L355 HydrophobicContact CG2-CD2 4.14Å; L138-L355 HydrophobicContact CB-CD1 3.67Å; L138-L355 HydrophobicContact CD1-CD1 4.38Å; A139-L355 HydrophobicContact CB-CD2 4.36Å; V351-L355 HydrophobicContact CG1-CD1 4.15Å; V351-L355 HydrophobicContact CG1-CG 4.24Å; V351-L355 WeakPolarHBondContact O-CG 3.38Å; V351-L355 PolarHBondContact O-N 3.34Å; T352-L355 PolarHBondContact O-N 2.97Å; L355-C358 PolarHBondContact O-N 3.34Å; L355-K359 WeakPolarHBondContact O-CB 3.42Å; L355-K359 PolarHBondContact O-N 3.05Å; L355-L385 HydrophobicContact CD2-CD1 4.35Å; L355-L389 HydrophobicContact CD2-CD2 3.36Å; L355-L389 HydrophobicContact CD2-CG 4.08Å |
| 356 | Q | 98.5 | Very high | 98.1 | Very high | 96 Ų | 96 | 31.5 Ų | 31.5 | 45% | 0.449 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -65.6 | -42.2 | 177.6 | -70 | 171.5 | -4.6 | 0 | 0 | 112.2 | T352 E353 S354 K359 L360 | T352-Q356 WeakPolarHBondContact O-CG 3.45Å; T352-Q356 PolarHBondContact O-N 2.97Å; E353-Q356 PolarHBondContact O-N 3.33Å; S354-Q356 VanDerWaalsContact C-N 3.3Å; S354-Q356 PolarHBondContact O-N 3.37Å; Q356-K359 PolarHBondContact O-N 3.48Å; Q356-L360 WeakPolarHBondContact O-CB 3.5Å; Q356-L360 PolarHBondContact O-N 2.96Å |
| 357 | A | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.8 | -44.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | T324 I329 L341 E353 S354 K359 L360 A361 | T324-A357 HydrophobicContact CG2-CB 3.99Å; I329-A357 HydrophobicContact CD1-CB 3.79Å; L341-A357 HydrophobicContact CD2-CB 4.31Å; E353-A357 WeakPolarHBondContact O-CB 3.33Å; E353-A357 PolarHBondContact O-N 3.45Å; S354-A357 PolarHBondContact O-N 3.21Å; A357-K359 PolarHBondContact O-N 3.33Å; A357-L360 PolarHBondContact O-N 2.68Å; A357-A361 PolarHBondContact O-N 2.53Å |
| 358 | C | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -57.9 | -49.5 | 173.8 | -173.4 | 0 | 0 | 0 | 0 | 111.5 | L343 S354 L355 L360 A361 Q362 L389 | L343-C358 HydrophobicContact CD1-CB 3.62Å; S354-C358 PolarHBondContact O-N 3.02Å; L355-C358 PolarHBondContact O-N 3.34Å; C358-L360 VanDerWaalsContact C-N 3.34Å; C358-L360 PolarHBondContact O-N 3.43Å; C358-A361 PolarHBondContact O-N 2.9Å; C358-Q362 WeakPolarHBondContact O-CG 3.35Å; C358-Q362 PolarHBondContact O-N 3.4Å; C358-Q362 VanDerWaalsContact SG-CD 3.56Å; C358-Q362 PolarHBondContact SG-OE1 3.26Å; C358-Q362 VanDerWaalsContact SG-OE1 3.33Å; C358-L389 HydrophobicContact CB-CD1 3.98Å; C358-L389 HydrophobicContact CB-CD2 4.05Å |
| 359 | K | 98.1 | Very high | 98.5 | Very high | 145 Ų | 145 | 30.6 Ų | 30.6 | 63% | 0.63 | 16% | 0.163 | S | C | * | . | H | α-helix | trans | -62.2 | -40.5 | 179.9 | -174.6 | 174.6 | -177.4 | 173.5 | 0 | 112.1 | L355 Q356 A357 S363 | L355-K359 WeakPolarHBondContact O-CB 3.42Å; L355-K359 PolarHBondContact O-N 3.05Å; Q356-K359 PolarHBondContact O-N 3.48Å; A357-K359 PolarHBondContact O-N 3.33Å; K359-S363 VanDerWaalsContact O-CB 3.25Å; K359-S363 WeakPolarHBondContact O-CB 3.27Å; K359-S363 PolarHBondContact O-N 3.47Å; K359-S363 PolarHBondContact O-OG 3.11Å |
| 360 | L | 98.4 | Very high | 98.5 | Very high | 49 Ų | 49 | 30.6 Ų | 30.6 | 26% | 0.257 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -60.5 | -45.9 | 175.6 | 178.1 | 61.5 | 0 | 0 | 0 | 111.1 | P326 I329 Q356 A357 C358 S363 N364 | P326-L360 HydrophobicContact CB-CD2 4.29Å; I329-L360 HydrophobicContact CB-CD2 3.94Å; I329-L360 HydrophobicContact CG2-CD2 3.63Å; I329-L360 HydrophobicContact CG2-CG 3.83Å; Q356-L360 WeakPolarHBondContact O-CB 3.5Å; Q356-L360 PolarHBondContact O-N 2.96Å; A357-L360 PolarHBondContact O-N 2.68Å; C358-L360 VanDerWaalsContact C-N 3.34Å; C358-L360 PolarHBondContact O-N 3.43Å; L360-S363 PolarHBondContact O-OG 2.77Å; L360-S363 VanDerWaalsContact O-OG 3.11Å; L360-N364 PolarHBondContact O-N 3.29Å; L360-N364 PolarHBondContact O-ND2 2.63Å |
| 361 | A | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.4 | -53.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L341 A357 C358 S363 N364 G365 W366 V368 | L341-A361 HydrophobicContact CB-CB 3.92Å; L341-A361 HydrophobicContact CD2-CB 4Å; A357-A361 PolarHBondContact O-N 2.53Å; C358-A361 PolarHBondContact O-N 2.9Å; A361-S363 PolarHBondContact O-N 2.92Å; A361-N364 CarbonylContact O-C 3.56Å; A361-N364 PolarHBondContact O-N 3Å; A361-N364 VanDerWaalsContact O-N 3.07Å; A361-G365 PolarHBondContact O-N 3.38Å; A361-W366 HydrophobicContact CB-CB 4.06Å; A361-W366 HydrophobicContact CB-CE3 4.32Å; A361-W366 WeakPolarHBondContact O-CB 3.41Å; A361-W366 PolarHBondContact O-N 2.97Å; A361-V368 HydrophobicContact CB-CG2 3.66Å |
| 362 | Q | 98.2 | Very high | 98.5 | Very high | 68 Ų | 68 | 30.9 Ų | 30.9 | 32% | 0.318 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -61.6 | -41.5 | -176.9 | -73.5 | 172.3 | -39.8 | 0 | 0 | 112.6 | C358 N364 G365 V368 L389 | C358-Q362 WeakPolarHBondContact O-CG 3.35Å; C358-Q362 PolarHBondContact O-N 3.4Å; C358-Q362 VanDerWaalsContact SG-CD 3.56Å; C358-Q362 PolarHBondContact SG-OE1 3.26Å; C358-Q362 VanDerWaalsContact SG-OE1 3.33Å; Q362-N364 PolarHBondContact O-N 3.47Å; Q362-G365 PolarHBondContact O-N 3.37Å; Q362-V368 HydrophobicContact CG-CG2 3.9Å; Q362-L389 PolarHBondContact NE2-O 2.95Å |
| 363 | S | 97.6 | Very high | 98.3 | Very high | 89 Ų | 89 | 30.4 Ų | 30.4 | 62% | 0.622 | 16% | 0.161 | S | C | * | . | H | α-helix | trans | -65.2 | -20.7 | 177.2 | 58.9 | 0 | 0 | 0 | 0 | 113.9 | K359 L360 A361 G365 | K359-S363 VanDerWaalsContact O-CB 3.25Å; K359-S363 WeakPolarHBondContact O-CB 3.27Å; K359-S363 PolarHBondContact O-N 3.47Å; K359-S363 PolarHBondContact O-OG 3.11Å; L360-S363 PolarHBondContact O-OG 2.77Å; L360-S363 VanDerWaalsContact O-OG 3.11Å; A361-S363 PolarHBondContact O-N 2.92Å; S363-G365 VanDerWaalsContact C-N 3.34Å |
| 364 | N | 98.3 | Very high | 98 | Very high | 76 Ų | 76 | 29 Ų | 29 | 41% | 0.406 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | 13.8 | 172.3 | -72.9 | -77.9 | 0 | 0 | 0 | 112.8 | V333 L360 A361 Q362 W366 | V333-N364 HydrophobicContact CG1-CB 3.85Å; V333-N364 WeakPolarHBondContact CG1-OD1 3.24Å; V333-N364 HydrophobicContact CG2-CB 3.81Å; L360-N364 PolarHBondContact O-N 3.29Å; L360-N364 PolarHBondContact O-ND2 2.63Å; A361-N364 CarbonylContact O-C 3.56Å; A361-N364 PolarHBondContact O-N 3Å; A361-N364 VanDerWaalsContact O-N 3.07Å; Q362-N364 PolarHBondContact O-N 3.47Å; N364-W366 VanDerWaalsContact C-N 3.29Å; N364-W366 PolarHBondContact O-N 3.22Å |
| 365 | G | 97.6 | Very high | 97.8 | Very high | 24 Ų | 24 | 29 Ų | 29 | 25% | 0.247 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.2 | 13 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | A361 Q362 S363 R431 | A361-G365 PolarHBondContact O-N 3.38Å; Q362-G365 PolarHBondContact O-N 3.37Å; S363-G365 VanDerWaalsContact C-N 3.34Å; G365-R431 PolarHBondContact O-NE 3.35Å; G365-R431 PolarHBondContact O-NH2 3.16Å |
| 366 | W | 98.6 | Very high | 97.8 | Very high | 19 Ų | 19 | 28.4 Ų | 28.4 | 7% | 0.072 | 15% | 0.152 | C | C | . | . | trans | -79 | 151.5 | 174.2 | -70.5 | 12.4 | 0 | 0 | 0 | 111.4 | T322 I329 G332 V333 C338 N339 L341 A361 N364 | T322-W366 HydrophobicContact CG2-CZ3 4.38Å; I329-W366 HydrophobicContact CG2-CZ3 4.25Å; G332-W366 WeakPolarHBondContact O-CZ2 3.35Å; V333-W366 HydrophobicContact CB-CZ2 4.26Å; V333-W366 HydrophobicContact CG2-CD2 4.2Å; V333-W366 HydrophobicContact CG2-CH2 4.01Å; V333-W366 HydrophobicContact CG2-CZ2 3.63Å; V333-W366 HydrophobicContact CG2-CZ3 4.45Å; C338-W366 WeakPolarHBondContact O-CZ2 3.4Å; C338-W366 PolarHBondContact O-NE1 3.11Å; C338-W366 WeakPolarHBondContact SG-CH2 3.37Å; C338-W366 WeakPolarHBondContact SG-CZ3 3.38Å; N339-W366 VanDerWaalsContact O-CA 3.29Å; N339-W366 WeakPolarHBondContact O-CA 3.42Å; L341-W366 HydrophobicContact CB-CE3 4.42Å; A361-W366 HydrophobicContact CB-CB 4.06Å; A361-W366 HydrophobicContact CB-CE3 4.32Å; A361-W366 WeakPolarHBondContact O-CB 3.41Å; A361-W366 PolarHBondContact O-N 2.97Å; N364-W366 VanDerWaalsContact C-N 3.29Å; N364-W366 PolarHBondContact O-N 3.22Å | ||
| 367 | G | 98.8 | Very high | 97.8 | Very high | 4 Ų | 4 | 24 Ų | 24 | 4% | 0.041 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 164.5 | 160 | 0 | 0 | 0 | 0 | 0 | 111 | N339 C340 L341 R430 | N339-G367 PolarHBondContact O-N 2.84Å; C340-G367 CarbonylContact C-O 3.56Å; C340-G367 VanDerWaalsContact CA-O 3.25Å; C340-G367 WeakPolarHBondContact CA-O 3.5Å; C340-G367 VanDerWaalsContact SG-C 3.5Å; C340-G367 PolarHBondContact SG-O 3.08Å; L341-G367 PolarHBondContact N-O 3.49Å; G367-R430 WeakPolarHBondContact CA-O 3.02Å |
| 368 | V | 98.9 | Very high | 97.8 | Very high | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.006 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 125.4 | 169.6 | -179 | 0 | 0 | 0 | 0 | 108.1 | L341 L343 A361 Q362 T391 Q393 | L341-V368 HydrophobicContact CB-CG2 4.34Å; L341-V368 HydrophobicContact CD2-CG1 4.41Å; L341-V368 CarbonylContact O-C 3.54Å; L341-V368 WeakPolarHBondContact O-CA 3.42Å; L343-V368 HydrophobicContact CB-CG1 3.72Å; L343-V368 HydrophobicContact CD1-CG1 3.91Å; L343-V368 HydrophobicContact CG-CG1 4.48Å; A361-V368 HydrophobicContact CB-CG2 3.66Å; Q362-V368 HydrophobicContact CG-CG2 3.9Å; V368-T391 HydrophobicContact CB-CG2 3.98Å; V368-T391 HydrophobicContact CG1-CG2 3.99Å; V368-T391 WeakPolarHBondContact O-CB 3.14Å; V368-T391 PolarHBondContact O-OG1 3.44Å; V368-Q393 VanDerWaalsContact O-CG 3.22Å; V368-Q393 WeakPolarHBondContact O-CG 3.42Å |
| 369 | M | 98.9 | Very high | 97.8 | Very high | 2 Ų | 2 | 31 Ų | 31 | 1% | 0.01 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 109.8 | 173.3 | -176.2 | -176.9 | -63.4 | 0 | 0 | 108.6 | L341 L342 L343 S371 Q393 K395 | L341-M369 PolarHBondContact O-N 2.83Å; L342-M369 WeakPolarHBondContact CA-O 3.33Å; L342-M369 HydrophobicContact CD1-CB 3.9Å; L342-M369 HydrophobicContact CD1-CG 3.87Å; L342-M369 HydrophobicContact CD1-SD 3.8Å; L343-M369 PolarHBondContact N-O 2.94Å; M369-S371 PolarHBondContact O-N 3.32Å; M369-Q393 HydrophobicContact CB-CG 4.04Å; M369-Q393 HydrophobicContact CG-CG 4.35Å; M369-K395 HydrophobicContact CG-CB 4.12Å; M369-K395 HydrophobicContact SD-CB 3.6Å; M369-K395 VanDerWaalsContact SD-CB 3.6Å; M369-K395 HydrophobicContact SD-CD 4.35Å |
| 370 | V | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 134.8 | 173 | 175.6 | 0 | 0 | 0 | 0 | 108.2 | L343 I382 L385 V386 T391 Q393 I394 K395 | L343-V370 HydrophobicContact CD2-CG2 4.49Å; V370-I382 HydrophobicContact CG1-CB 3.85Å; V370-I382 HydrophobicContact CG1-CG2 4.33Å; V370-L385 HydrophobicContact CG1-CD2 4.15Å; V370-V386 HydrophobicContact CB-CB 3.86Å; V370-V386 HydrophobicContact CB-CG2 4.01Å; V370-V386 HydrophobicContact CG1-CB 4.29Å; V370-V386 HydrophobicContact CG2-CB 3.76Å; V370-V386 HydrophobicContact CG2-CG2 3.88Å; V370-T391 HydrophobicContact CG2-CG2 3.95Å; V370-Q393 PolarHBondContact N-O 3.03Å; V370-I394 HydrophobicContact CB-CG1 4.49Å; V370-I394 WeakPolarHBondContact O-CA 3.35Å; V370-I394 WeakPolarHBondContact O-CG1 3.36Å; V370-K395 PolarHBondContact O-N 3.48Å |
| 371 | S | 98.8 | Very high | 97.9 | Very high | 4 Ų | 4 | 23.8 Ų | 23.8 | 3% | 0.028 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 145.4 | -173.4 | -177.6 | 0 | 0 | 0 | 0 | 112.9 | L343 M369 K395 | L343-S371 PolarHBondContact O-N 3.04Å; M369-S371 PolarHBondContact O-N 3.32Å; S371-K395 WeakPolarHBondContact CA-O 3.32Å |
| 372 | H | 97.8 | Very high | 97.9 | Very high | 3 Ų | 3 | 24.1 Ų | 24.1 | 1% | 0.014 | 14% | 0.136 | C | C | . | . | trans | -70 | -174.6 | 159.9 | 69 | 170.9 | 0 | 0 | 0 | 112.4 | E211 E376 I382 K395 T396 G397 R404 | E211-H372 IonicContact OE1-CE1 3.03Å; E211-H372 IonicContact OE1-NE2 2.71Å; E211-H372 IonicContact OE2-CE1 2.7Å; E211-H372 PolarHBondContact OE2-CE1 2.95Å; E211-H372 IonicContact OE2-NE2 3.2Å; E211-H372 PolarHBondContact OE2-NE2 2.98Å; H372-E376 HydrophobicContact CB-CG 3.85Å; H372-I382 HydrophobicContact CB-CD1 3.97Å; H372-K395 PolarHBondContact CD2-O 3.47Å; H372-K395 PolarHBondContact N-O 3.26Å; H372-T396 WeakPolarHBondContact ND1-CA 3.09Å; H372-G397 VanDerWaalsContact CE1-CA 3.44Å; H372-G397 WeakPolarHBondContact CE1-CA 3.32Å; H372-G397 PolarHBondContact CE1-N 2.94Å; H372-G397 PolarHBondContact ND1-N 2.89Å; H372-R404 PolarHBondContact ND1-NH1 3.45Å; H372-R404 VanDerWaalsContact ND1-NH1 3.13Å | ||
| 373 | R | 95.4 | Very high | 97.9 | Very high | 7 Ų | 7 | 20.9 Ų | 20.9 | 3% | 0.026 | 12% | 0.121 | C | C | . | . | trans | -120.3 | 165.7 | 158 | -54.7 | -63.7 | -66.5 | -102.1 | 13.5 | 110.6 | P37 S38 S41 E46 N346 G375 E376 R404 | P37-R373 HydrophobicContact CB-CB 4.09Å; P37-R373 HydrophobicContact CB-CG 3.98Å; P37-R373 HydrophobicContact CG-CG 4.08Å; S38-R373 WeakPolarHBondContact O-CB 3.48Å; S41-R373 PolarHBondContact O-NH2 3.1Å; E46-R373 IonicContact OE1-CZ 3.79Å; E46-R373 IonicContact OE1-NH1 3.3Å; E46-R373 IonicContact OE1-NH2 3.91Å; E46-R373 PolarHBondContact OE1-NH2 2.87Å; E46-R373 IonicContact OE2-CZ 3.59Å; E46-R373 IonicContact OE2-NH1 3.96Å; E46-R373 PolarHBondContact OE2-NH1 3.28Å; E46-R373 IonicContact OE2-NH2 2.93Å; E46-R373 PolarHBondContact OE2-NH2 3.06Å; N346-R373 VanDerWaalsContact CG-NH1 3.26Å; N346-R373 PolarHBondContact ND2-NH1 3.37Å; N346-R373 VanDerWaalsContact OD1-CD 3.31Å; N346-R373 WeakPolarHBondContact OD1-CD 3.46Å; N346-R373 WeakPolarHBondContact OD1-CG 3.02Å; N346-R373 PolarHBondContact OD1-NH1 3.45Å; R373-G375 VanDerWaalsContact C-N 3.34Å; R373-G375 PolarHBondContact O-N 3.33Å; R373-E376 WeakPolarHBondContact O-CG 3.47Å; R373-R404 PolarHBondContact O-NH1 2.92Å | ||
| 374 | S | 91.7 | Very high | 98 | Very high | 4 Ų | 4 | 17 Ų | 17 | 3% | 0.028 | 9% | 0.093 | C | C | . | . | S | Bend | trans | -62.1 | -37.1 | 175.9 | 53.3 | 0 | 0 | 0 | 0 | 113 | S15 A40 R404 | S15-S374 PolarHBondContact OG-O 3.35Å; A40-S374 WeakPolarHBondContact CB-OG 3.14Å; A40-S374 PolarHBondContact N-OG 2.89Å; S374-R404 PolarHBondContact O-NH2 3.12Å |
| 375 | G | 94.8 | Very high | 98 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 7% | 0.074 | C | C | . | . | B | Isolated β-bridge | trans | -92.7 | 86.6 | 166.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | D14 P37 S38 R373 | D14-G375 WeakPolarHBondContact OD2-CA 3.37Å; P37-G375 CarbonylContact C-O 3.56Å; P37-G375 VanDerWaalsContact CA-O 3.31Å; P37-G375 WeakPolarHBondContact CA-O 3.35Å; P37-G375 WeakPolarHBondContact CB-O 3.46Å; S38-G375 PolarHBondContact N-O 3.04Å; S38-G375 CarbonylContact O-C 3.59Å; S38-G375 WeakPolarHBondContact O-CA 3.17Å; S38-G375 PolarHBondContact O-N 2.99Å; R373-G375 VanDerWaalsContact C-N 3.34Å; R373-G375 PolarHBondContact O-N 3.33Å |
| 376 | E | 98.1 | Very high | 98.1 | Very high | 6 Ų | 6 | 12.2 Ų | 12.2 | 3% | 0.028 | 6% | 0.062 | C | C | . | . | trans | -93.7 | 172.9 | 177.1 | -104 | -68.6 | 179.3 | 0 | 0 | 112.6 | D14 S15 H372 R373 E403 R404 K407 | D14-E376 CarbonylContact C-O 3.59Å; D14-E376 WeakPolarHBondContact CA-O 3.43Å; S15-E376 WeakPolarHBondContact CB-O 3.48Å; S15-E376 PolarHBondContact N-O 3.09Å; S15-E376 PolarHBondContact OG-N 3.01Å; S15-E376 VanDerWaalsContact OG-N 3.07Å; S15-E376 PolarHBondContact OG-O 3.17Å; H372-E376 HydrophobicContact CB-CG 3.85Å; R373-E376 WeakPolarHBondContact O-CG 3.47Å; E376-E403 HydrophobicContact CB-CB 3.9Å; E376-E403 HydrophobicContact CB-CG 3.67Å; E376-R404 VanDerWaalsContact CB-NH1 3.34Å; E376-K407 WeakPolarHBondContact OE1-CE 3.28Å; E376-K407 IonicContact OE1-NZ 3.43Å; E376-K407 WeakPolarHBondContact OE2-CE 3.3Å; E376-K407 IonicContact OE2-NZ 2.84Å; E376-K407 PolarHBondContact OE2-NZ 3.45Å | ||
| 377 | T | 98.8 | Very high | 98.1 | Very high | 3 Ų | 3 | 11.3 Ų | 11.3 | 2% | 0.018 | 6% | 0.058 | C | C | . | . | trans | -121.6 | -178.7 | 173.8 | 68 | 0 | 0 | 0 | 0 | 110 | T20 A35 D379 E403 K407 | T20-T377 HydrophobicContact CG2-CG2 3.89Å; A35-T377 HydrophobicContact CB-CG2 3.92Å; T377-D379 PolarHBondContact O-N 2.71Å; T377-D379 VanDerWaalsContact OG1-CB 3.28Å; T377-D379 WeakPolarHBondContact OG1-CB 3.34Å; T377-D379 PolarHBondContact OG1-N 2.98Å; T377-E403 WeakPolarHBondContact O-CB 3.28Å; T377-K407 PolarHBondContact O-NZ 2.92Å | ||
| 378 | E | 98.6 | Very high | 98.1 | Very high | 128 Ų | 128 | 11.1 Ų | 11.1 | 60% | 0.598 | 6% | 0.056 | S | C | * | . | S | Bend | trans | -73 | -8 | 169.7 | 66.5 | -92.7 | -124.6 | 0 | 0 | 113.7 | ||
| 379 | D | 98.8 | Very high | 98.1 | Very high | 18 Ų | 18 | 11.2 Ų | 11.2 | 10% | 0.096 | 6% | 0.057 | C | C | . | . | trans | -60.4 | 137.7 | 178.4 | -161.7 | -43.9 | 0 | 0 | 0 | 110.5 | A34 A35 K121 T377 F381 K407 | A34-D379 WeakPolarHBondContact CA-OD2 3.48Å; A35-D379 HydrophobicContact CB-CB 4.32Å; A35-D379 PolarHBondContact N-OD2 3.14Å; K121-D379 IonicContact NZ-OD1 3.35Å; K121-D379 PolarHBondContact NZ-OD1 2.62Å; K121-D379 IonicContact NZ-OD2 3.47Å; K121-D379 PolarHBondContact NZ-OD2 3.45Å; T377-D379 PolarHBondContact O-N 2.71Å; T377-D379 VanDerWaalsContact OG1-CB 3.28Å; T377-D379 WeakPolarHBondContact OG1-CB 3.34Å; T377-D379 PolarHBondContact OG1-N 2.98Å; D379-F381 WeakPolarHBondContact OD1-CB 3.32Å; D379-F381 PolarHBondContact OD1-N 3.09Å; D379-K407 WeakPolarHBondContact O-CD 3.49Å; D379-K407 WeakPolarHBondContact O-CE 3.3Å; D379-K407 PolarHBondContact O-NZ 3.41Å | ||
| 380 | T | 98.9 | Very high | 98.1 | Very high | 36 Ų | 36 | 11.3 Ų | 11.3 | 22% | 0.221 | 6% | 0.058 | C | C | . | . | trans | -106.8 | 9 | -176.1 | 53.2 | 0 | 0 | 0 | 0 | 113.6 | I382 A383 A406 Q410 | T380-I382 VanDerWaalsContact C-N 3.26Å; T380-I382 PolarHBondContact O-N 2.85Å; T380-A383 VanDerWaalsContact O-CB 3.26Å; T380-A383 WeakPolarHBondContact O-CB 3.44Å; T380-A383 PolarHBondContact O-N 3.38Å; T380-A406 HydrophobicContact CG2-CB 3.77Å; T380-A406 VanDerWaalsContact CG2-O 3.26Å; T380-A406 WeakPolarHBondContact CG2-O 3.46Å; T380-Q410 HydrophobicContact CG2-CB 4.04Å | ||
| 381 | F | 98.9 | Very high | 98.1 | Very high | 7 Ų | 7 | 11.4 Ų | 11.4 | 3% | 0.031 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -47.5 | -43.4 | -172.5 | -173.2 | -88.8 | 0 | 0 | 0 | 114.4 | L117 C120 L131 I135 V351 D379 A383 D384 L385 | L117-F381 HydrophobicContact CB-CD2 4.4Å; L117-F381 HydrophobicContact CB-CE2 4.44Å; L117-F381 HydrophobicContact CD2-CD1 3.46Å; L117-F381 VanDerWaalsContact CD2-CD1 3.46Å; L117-F381 HydrophobicContact CD2-CD2 3.73Å; L117-F381 HydrophobicContact CD2-CE1 3.35Å; L117-F381 HydrophobicContact CD2-CE2 3.63Å; L117-F381 HydrophobicContact CD2-CG 3.66Å; L117-F381 HydrophobicContact CD2-CZ 3.44Å; L117-F381 VanDerWaalsContact CD2-CZ 3.44Å; C120-F381 HydrophobicContact CB-CE2 3.99Å; C120-F381 HydrophobicContact CB-CZ 4.34Å; L131-F381 HydrophobicContact CD1-CE2 4.31Å; L131-F381 HydrophobicContact CD2-CD2 3.79Å; L131-F381 HydrophobicContact CD2-CE2 4.1Å; I135-F381 HydrophobicContact CD1-CE1 4.38Å; I135-F381 HydrophobicContact CD1-CE2 4.27Å; I135-F381 HydrophobicContact CD1-CZ 3.95Å; V351-F381 HydrophobicContact CG1-CZ 4.42Å; V351-F381 HydrophobicContact CG2-CE1 4.3Å; V351-F381 HydrophobicContact CG2-CZ 3.72Å; D379-F381 WeakPolarHBondContact OD1-CB 3.32Å; D379-F381 PolarHBondContact OD1-N 3.09Å; F381-A383 PolarHBondContact O-N 2.88Å; F381-D384 PolarHBondContact O-N 3.22Å; F381-D384 VanDerWaalsContact O-N 3.16Å; F381-L385 HydrophobicContact CD1-CB 4.22Å; F381-L385 HydrophobicContact CD1-CD2 4.49Å; F381-L385 HydrophobicContact CE1-CB 4.12Å; F381-L385 HydrophobicContact CE1-CD1 4.07Å; F381-L385 HydrophobicContact CE1-CD2 4.21Å; F381-L385 HydrophobicContact CE1-CG 4.36Å; F381-L385 WeakPolarHBondContact O-CB 3.39Å; F381-L385 PolarHBondContact O-N 3.28Å |
| 382 | I | 98.9 | Very high | 98.1 | Very high | 8 Ų | 8 | 11.2 Ų | 11.2 | 4% | 0.041 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -67.8 | -20 | -176.5 | 63.5 | 171.2 | 0 | 0 | 0 | 113.8 | V370 H372 T380 L385 V386 I394 K407 | V370-I382 HydrophobicContact CG1-CB 3.85Å; V370-I382 HydrophobicContact CG1-CG2 4.33Å; H372-I382 HydrophobicContact CB-CD1 3.97Å; T380-I382 VanDerWaalsContact C-N 3.26Å; T380-I382 PolarHBondContact O-N 2.85Å; I382-L385 HydrophobicContact CG2-CD2 4.47Å; I382-V386 WeakPolarHBondContact O-CG1 3.2Å; I382-V386 PolarHBondContact O-N 3.22Å; I382-I394 HydrophobicContact CD1-CD1 4.49Å; I382-I394 HydrophobicContact CG1-CD1 4.42Å; I382-K407 HydrophobicContact CD1-CG 4.02Å; I382-K407 HydrophobicContact CG1-CG 3.58Å |
| 383 | A | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -69.5 | -44.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | T380 F381 L385 V386 V387 K407 Q410 L411 | T380-A383 VanDerWaalsContact O-CB 3.26Å; T380-A383 WeakPolarHBondContact O-CB 3.44Å; T380-A383 PolarHBondContact O-N 3.38Å; F381-A383 PolarHBondContact O-N 2.88Å; A383-L385 VanDerWaalsContact C-N 3.35Å; A383-V386 VanDerWaalsContact O-CG1 3.27Å; A383-V386 WeakPolarHBondContact O-CG1 3.33Å; A383-V387 WeakPolarHBondContact O-CG2 3.36Å; A383-K407 HydrophobicContact CB-CB 4.21Å; A383-K407 WeakPolarHBondContact CB-O 3.45Å; A383-Q410 HydrophobicContact CB-CB 3.74Å; A383-Q410 HydrophobicContact CB-CG 3.67Å; A383-L411 HydrophobicContact CB-CD2 4.12Å; A383-L411 HydrophobicContact CB-CG 3.89Å; A383-L411 WeakPolarHBondContact O-CD2 3.47Å |
| 384 | D | 98.9 | Very high | 98.3 | Very high | 6 Ų | 6 | 10.7 Ų | 10.7 | 3% | 0.032 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -69.3 | -36.1 | 172.9 | -74.8 | -100.3 | 0 | 0 | 0 | 111.6 | L131 Y132 I135 F381 V387 G388 Q410 | L131-D384 HydrophobicContact CB-CB 4.06Å; L131-D384 WeakPolarHBondContact CB-OD1 3.49Å; L131-D384 HydrophobicContact CD2-CB 3.75Å; L131-D384 HydrophobicContact CG-CB 3.74Å; Y132-D384 WeakPolarHBondContact CA-O 3.25Å; Y132-D384 WeakPolarHBondContact CB-O 3.45Å; Y132-D384 WeakPolarHBondContact CD1-OD1 3.33Å; Y132-D384 PolarHBondContact N-OD1 3.5Å; I135-D384 HydrophobicContact CD1-CB 4.24Å; F381-D384 PolarHBondContact O-N 3.22Å; F381-D384 VanDerWaalsContact O-N 3.16Å; D384-V387 PolarHBondContact O-N 3.16Å; D384-G388 PolarHBondContact O-N 3.37Å; D384-Q410 WeakPolarHBondContact OD2-CG 2.92Å; D384-Q410 PolarHBondContact OD2-NE2 2.67Å |
| 385 | L | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 10.6 Ų | 10.6 | 1% | 0.005 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -61 | -50.2 | 178.4 | -175.4 | 66.6 | 0 | 0 | 0 | 112.4 | I135 L343 V345 L355 V370 F381 I382 A383 V387 G388 L389 | I135-L385 HydrophobicContact CD1-CB 4.3Å; I135-L385 HydrophobicContact CD1-CD1 4.25Å; I135-L385 HydrophobicContact CG2-CD1 3.93Å; L343-L385 HydrophobicContact CD2-CD2 3.94Å; V345-L385 HydrophobicContact CG1-CD2 3.37Å; L355-L385 HydrophobicContact CD2-CD1 4.35Å; V370-L385 HydrophobicContact CG1-CD2 4.15Å; F381-L385 HydrophobicContact CD1-CB 4.22Å; F381-L385 HydrophobicContact CD1-CD2 4.49Å; F381-L385 HydrophobicContact CE1-CB 4.12Å; F381-L385 HydrophobicContact CE1-CD1 4.07Å; F381-L385 HydrophobicContact CE1-CD2 4.21Å; F381-L385 HydrophobicContact CE1-CG 4.36Å; F381-L385 WeakPolarHBondContact O-CB 3.39Å; F381-L385 PolarHBondContact O-N 3.28Å; I382-L385 HydrophobicContact CG2-CD2 4.47Å; A383-L385 VanDerWaalsContact C-N 3.35Å; L385-V387 VanDerWaalsContact C-N 3.28Å; L385-V387 PolarHBondContact O-N 2.75Å; L385-G388 PolarHBondContact O-N 3.43Å; L385-L389 HydrophobicContact CD1-CD1 3.7Å; L385-L389 HydrophobicContact CD1-CG 3.99Å; L385-L389 HydrophobicContact CD2-CD1 4.44Å; L385-L389 HydrophobicContact CG-CD1 3.78Å; L385-L389 HydrophobicContact CG-CG 4.33Å; L385-L389 VanDerWaalsContact O-CB 3.26Å; L385-L389 WeakPolarHBondContact O-CB 3.35Å; L385-L389 WeakPolarHBondContact O-CG 3.18Å; L385-L389 PolarHBondContact O-N 3.29Å |
| 386 | V | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -63.2 | -36.9 | -177.8 | 66.7 | 0 | 0 | 0 | 0 | 112.1 | P147 V370 I382 A383 C390 T391 Q393 I394 L411 | P147-V386 HydrophobicContact CB-CG1 4.38Å; P147-V386 HydrophobicContact CB-CG2 3.71Å; P147-V386 HydrophobicContact CG-CG1 3.74Å; P147-V386 HydrophobicContact CG-CG2 4.03Å; V370-V386 HydrophobicContact CB-CB 3.86Å; V370-V386 HydrophobicContact CB-CG2 4.01Å; V370-V386 HydrophobicContact CG1-CB 4.29Å; V370-V386 HydrophobicContact CG2-CB 3.76Å; V370-V386 HydrophobicContact CG2-CG2 3.88Å; I382-V386 WeakPolarHBondContact O-CG1 3.2Å; I382-V386 PolarHBondContact O-N 3.22Å; A383-V386 VanDerWaalsContact O-CG1 3.27Å; A383-V386 WeakPolarHBondContact O-CG1 3.33Å; V386-C390 PolarHBondContact O-N 2.97Å; V386-C390 VanDerWaalsContact O-N 3.17Å; V386-T391 VanDerWaalsContact CG2-OG1 3.27Å; V386-T391 WeakPolarHBondContact CG2-OG1 3.39Å; V386-T391 PolarHBondContact O-N 2.94Å; V386-Q393 WeakPolarHBondContact CG2-O 3.44Å; V386-I394 HydrophobicContact CB-CB 4.41Å; V386-I394 HydrophobicContact CB-CD1 4.33Å; V386-I394 HydrophobicContact CG1-CB 4.27Å; V386-I394 HydrophobicContact CG1-CD1 3.85Å; V386-I394 HydrophobicContact CG2-CB 4.06Å; V386-L411 HydrophobicContact CG1-CD2 3.94Å |
| 387 | V | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 10.3 Ų | 10.3 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -69.5 | -47.3 | 176.7 | 175 | 0 | 0 | 0 | 0 | 110.5 | Y132 V144 I145 L146 A383 D384 L385 L389 C390 L411 I414 | Y132-V387 HydrophobicContact CD2-CG1 4.08Å; Y132-V387 HydrophobicContact CG-CG1 4.13Å; V144-V387 HydrophobicContact CB-CG1 3.75Å; V144-V387 HydrophobicContact CG1-CG1 4.29Å; V144-V387 HydrophobicContact CG2-CG1 4.16Å; I145-V387 WeakPolarHBondContact O-CA 3.45Å; L146-V387 HydrophobicContact CD1-CG2 4.1Å; A383-V387 WeakPolarHBondContact O-CG2 3.36Å; D384-V387 PolarHBondContact O-N 3.16Å; L385-V387 VanDerWaalsContact C-N 3.28Å; L385-V387 PolarHBondContact O-N 2.75Å; V387-L389 PolarHBondContact O-N 3.35Å; V387-C390 PolarHBondContact O-N 3.28Å; V387-C390 VanDerWaalsContact O-N 3.16Å; V387-L411 HydrophobicContact CG2-CD2 3.56Å; V387-I414 HydrophobicContact CG1-CG2 4Å; V387-I414 HydrophobicContact CG2-CD1 4.31Å; V387-I414 HydrophobicContact CG2-CG2 4.14Å |
| 388 | G | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 10.2 Ų | 10.2 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -65 | -37.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y132 A136 N141 D384 L385 C390 | Y132-G388 VanDerWaalsContact O-CA 3.27Å; Y132-G388 WeakPolarHBondContact O-CA 3.17Å; A136-G388 WeakPolarHBondContact CA-O 3.34Å; A136-G388 WeakPolarHBondContact CB-O 3.19Å; N141-G388 PolarHBondContact ND2-O 3.33Å; D384-G388 PolarHBondContact O-N 3.37Å; L385-G388 PolarHBondContact O-N 3.43Å; G388-C390 VanDerWaalsContact C-N 3.26Å; G388-C390 PolarHBondContact O-N 3.21Å |
| 389 | L | 98.8 | Very high | 98.8 | Very high | 3 Ų | 3 | 4.8 Ų | 4.8 | 2% | 0.016 | 3% | 0.028 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -9.3 | 175.8 | -76 | -178.8 | 0 | 0 | 0 | 114.1 | I135 A139 N141 L343 L355 C358 Q362 L385 V387 T391 | I135-L389 HydrophobicContact CG2-CG 4.49Å; A139-L389 HydrophobicContact CB-CD2 3.94Å; N141-L389 PolarHBondContact ND2-O 3.41Å; L343-L389 HydrophobicContact CD1-CD1 4.23Å; L355-L389 HydrophobicContact CD2-CD2 3.36Å; L355-L389 HydrophobicContact CD2-CG 4.08Å; C358-L389 HydrophobicContact CB-CD1 3.98Å; C358-L389 HydrophobicContact CB-CD2 4.05Å; Q362-L389 PolarHBondContact NE2-O 2.95Å; L385-L389 HydrophobicContact CD1-CD1 3.7Å; L385-L389 HydrophobicContact CD1-CG 3.99Å; L385-L389 HydrophobicContact CD2-CD1 4.44Å; L385-L389 HydrophobicContact CG-CD1 3.78Å; L385-L389 HydrophobicContact CG-CG 4.33Å; L385-L389 VanDerWaalsContact O-CB 3.26Å; L385-L389 WeakPolarHBondContact O-CB 3.35Å; L385-L389 WeakPolarHBondContact O-CG 3.18Å; L385-L389 PolarHBondContact O-N 3.29Å; V387-L389 PolarHBondContact O-N 3.35Å; L389-T391 HydrophobicContact CB-CG2 3.43Å; L389-T391 VanDerWaalsContact CB-CG2 3.43Å; L389-T391 HydrophobicContact CD1-CG2 4.26Å; L389-T391 HydrophobicContact CG-CG2 4.49Å; L389-T391 PolarHBondContact O-N 3.25Å |
| 390 | C | 98.6 | Very high | 98.8 | Very high | 4 Ų | 4 | 5.5 Ų | 5.5 | 3% | 0.027 | 3% | 0.034 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.1 | 38.7 | -178.3 | -59.1 | 0 | 0 | 0 | 0 | 113.3 | D143 V144 I145 V386 V387 G388 G392 P432 I433 | D143-C390 PolarHBondContact O-SG 3.3Å; V144-C390 VanDerWaalsContact CA-SG 3.57Å; I145-C390 HydrophobicContact CG2-CB 4.4Å; V386-C390 PolarHBondContact O-N 2.97Å; V386-C390 VanDerWaalsContact O-N 3.17Å; V387-C390 PolarHBondContact O-N 3.28Å; V387-C390 VanDerWaalsContact O-N 3.16Å; G388-C390 VanDerWaalsContact C-N 3.26Å; G388-C390 PolarHBondContact O-N 3.21Å; C390-G392 VanDerWaalsContact C-N 3.31Å; C390-G392 PolarHBondContact O-N 3.11Å; C390-P432 WeakPolarHBondContact O-CG 3.18Å; C390-I433 HydrophobicContact CB-CD1 3.46Å; C390-I433 VanDerWaalsContact CB-CD1 3.46Å; C390-I433 HydrophobicContact CB-CG1 4.34Å |
| 391 | T | 98.8 | Very high | 98.7 | Very high | 1 Ų | 1 | 7.7 Ų | 7.7 | 1% | 0.006 | 4% | 0.038 | C | C | . | . | trans | -79.3 | -19.7 | -172 | 84.1 | 0 | 0 | 0 | 0 | 113.2 | V368 V370 V386 L389 Q393 | V368-T391 HydrophobicContact CB-CG2 3.98Å; V368-T391 HydrophobicContact CG1-CG2 3.99Å; V368-T391 WeakPolarHBondContact O-CB 3.14Å; V368-T391 PolarHBondContact O-OG1 3.44Å; V370-T391 HydrophobicContact CG2-CG2 3.95Å; V386-T391 VanDerWaalsContact CG2-OG1 3.27Å; V386-T391 WeakPolarHBondContact CG2-OG1 3.39Å; V386-T391 PolarHBondContact O-N 2.94Å; L389-T391 HydrophobicContact CB-CG2 3.43Å; L389-T391 VanDerWaalsContact CB-CG2 3.43Å; L389-T391 HydrophobicContact CD1-CG2 4.26Å; L389-T391 HydrophobicContact CG-CG2 4.49Å; L389-T391 PolarHBondContact O-N 3.25Å; T391-Q393 VanDerWaalsContact C-N 3.28Å; T391-Q393 PolarHBondContact O-N 3.13Å; T391-Q393 PolarHBondContact OG1-O 3.4Å; T391-Q393 VanDerWaalsContact OG1-O 3.13Å | ||
| 392 | G | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 7% | 0.069 | C | C | . | . | S | Bend | trans | 80.8 | -1.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | P147 V148 C390 A425 F429 | P147-G392 CarbonylContact C-O 3.52Å; P147-G392 VanDerWaalsContact CA-C 3.47Å; P147-G392 WeakPolarHBondContact CA-O 3.41Å; V148-G392 PolarHBondContact N-O 2.89Å; C390-G392 VanDerWaalsContact C-N 3.31Å; C390-G392 PolarHBondContact O-N 3.11Å; G392-A425 WeakPolarHBondContact O-CB 3.5Å; G392-F429 WeakPolarHBondContact O-CB 3.41Å |
| 393 | Q | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 140.4 | -178.4 | 48.3 | -178.1 | -46.1 | 0 | 0 | 112.5 | V148 V368 M369 V370 V386 T391 F429 | V148-Q393 WeakPolarHBondContact O-CA 3.19Å; V368-Q393 VanDerWaalsContact O-CG 3.22Å; V368-Q393 WeakPolarHBondContact O-CG 3.42Å; M369-Q393 HydrophobicContact CB-CG 4.04Å; M369-Q393 HydrophobicContact CG-CG 4.35Å; V370-Q393 PolarHBondContact N-O 3.03Å; V386-Q393 WeakPolarHBondContact CG2-O 3.44Å; T391-Q393 VanDerWaalsContact C-N 3.28Å; T391-Q393 PolarHBondContact O-N 3.13Å; T391-Q393 PolarHBondContact OG1-O 3.4Å; T391-Q393 VanDerWaalsContact OG1-O 3.13Å; Q393-F429 HydrophobicContact CB-CB 4.38Å; Q393-F429 HydrophobicContact CB-CD2 4.03Å; Q393-F429 HydrophobicContact CG-CD2 4.23Å; Q393-F429 PolarHBondContact NE2-O 3.43Å; Q393-F429 VanDerWaalsContact NE2-O 3.11Å |
| 394 | I | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 135.6 | 178.9 | -174.4 | 167.2 | 0 | 0 | 0 | 110.8 | P147 V148 P149 A150 V370 I382 V386 T396 L411 | P147-I394 HydrophobicContact CB-CB 4.27Å; P147-I394 HydrophobicContact CB-CG2 3.9Å; P147-I394 HydrophobicContact CG-CB 4.21Å; P147-I394 HydrophobicContact CG-CG2 3.55Å; V148-I394 PolarHBondContact O-N 3.23Å; V148-I394 VanDerWaalsContact O-N 3.09Å; P149-I394 CarbonylContact C-O 3.07Å; A150-I394 PolarHBondContact N-O 2.86Å; V370-I394 HydrophobicContact CB-CG1 4.49Å; V370-I394 WeakPolarHBondContact O-CA 3.35Å; V370-I394 WeakPolarHBondContact O-CG1 3.36Å; I382-I394 HydrophobicContact CD1-CD1 4.49Å; I382-I394 HydrophobicContact CG1-CD1 4.42Å; V386-I394 HydrophobicContact CB-CB 4.41Å; V386-I394 HydrophobicContact CB-CD1 4.33Å; V386-I394 HydrophobicContact CG1-CB 4.27Å; V386-I394 HydrophobicContact CG1-CD1 3.85Å; V386-I394 HydrophobicContact CG2-CB 4.06Å; I394-T396 HydrophobicContact CD1-CG2 4Å; I394-T396 HydrophobicContact CG1-CG2 4.12Å; I394-L411 HydrophobicContact CD1-CD1 4.39Å; I394-L411 HydrophobicContact CG2-CD1 4Å |
| 395 | K | 98.8 | Very high | 98.7 | Very high | 2 Ų | 2 | 14.4 Ų | 14.4 | 1% | 0.009 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 106.5 | 168.2 | 173.9 | -172.7 | 177.8 | -179 | 0 | 108.1 | A150 E168 M170 D246 E294 L342 M369 V370 S371 H372 | A150-K395 HydrophobicContact CB-CB 4.3Å; E168-K395 WeakPolarHBondContact OE1-CE 3.44Å; E168-K395 IonicContact OE1-NZ 3.56Å; E168-K395 PolarHBondContact OE1-NZ 2.82Å; E168-K395 WeakPolarHBondContact OE2-CE 3.42Å; E168-K395 IonicContact OE2-NZ 3.9Å; E168-K395 PolarHBondContact OE2-NZ 2.95Å; E168-K395 VanDerWaalsContact OE2-NZ 3.08Å; M170-K395 HydrophobicContact CE-CD 4.27Å; M170-K395 HydrophobicContact SD-CB 4.5Å; M170-K395 HydrophobicContact SD-CD 3.74Å; M170-K395 HydrophobicContact SD-CG 3.8Å; D246-K395 IonicContact OD2-NZ 3.51Å; D246-K395 PolarHBondContact OD2-NZ 3.46Å; E294-K395 IonicContact OE1-NZ 3.76Å; E294-K395 PolarHBondContact OE1-NZ 3.04Å; E294-K395 IonicContact OE2-NZ 3.57Å; E294-K395 PolarHBondContact OE2-NZ 3.43Å; L342-K395 HydrophobicContact CD1-CD 4.36Å; M369-K395 HydrophobicContact CG-CB 4.12Å; M369-K395 HydrophobicContact SD-CB 3.6Å; M369-K395 VanDerWaalsContact SD-CB 3.6Å; M369-K395 HydrophobicContact SD-CD 4.35Å; V370-K395 PolarHBondContact O-N 3.48Å; S371-K395 WeakPolarHBondContact CA-O 3.32Å; H372-K395 PolarHBondContact CD2-O 3.47Å; H372-K395 PolarHBondContact N-O 3.26Å |
| 396 | T | 98.6 | Very high | 98.7 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 9% | 0.089 | C | C | . | . | trans | -135.5 | 33 | -179.5 | -164 | 0 | 0 | 0 | 0 | 113 | H372 I394 R404 K407 Y408 | H372-T396 WeakPolarHBondContact ND1-CA 3.09Å; I394-T396 HydrophobicContact CD1-CG2 4Å; I394-T396 HydrophobicContact CG1-CG2 4.12Å; T396-R404 VanDerWaalsContact O-CB 3.24Å; T396-R404 WeakPolarHBondContact O-CB 3.43Å; T396-R404 WeakPolarHBondContact O-CD 3.39Å; T396-K407 HydrophobicContact CG2-CB 3.8Å; T396-Y408 HydrophobicContact CG2-CD1 3.74Å; T396-Y408 HydrophobicContact CG2-CD2 4.19Å; T396-Y408 HydrophobicContact CG2-CE1 3.25Å; T396-Y408 HydrophobicContact CG2-CE2 3.74Å; T396-Y408 HydrophobicContact CG2-CG 4.19Å; T396-Y408 PolarHBondContact N-OH 3Å | ||
| 397 | G | 98.1 | Very high | 98.7 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 9% | 0.089 | C | C | . | . | trans | 89.7 | -173 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | F151 H372 Y408 | F151-G397 WeakPolarHBondContact CA-O 3.17Å; H372-G397 VanDerWaalsContact CE1-CA 3.44Å; H372-G397 WeakPolarHBondContact CE1-CA 3.32Å; H372-G397 PolarHBondContact CE1-N 2.94Å; H372-G397 PolarHBondContact ND1-N 2.89Å; G397-Y408 WeakPolarHBondContact O-CE2 3.19Å; G397-Y408 PolarHBondContact O-OH 3.09Å | ||
| 398 | A | 98.6 | Very high | 98.7 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 9% | 0.089 | C | C | . | . | trans | -64.6 | 164 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | N152 Y190 E211 G212 C400 R404 | N152-A398 VanDerWaalsContact O-CA 3.27Å; N152-A398 WeakPolarHBondContact O-CA 3.4Å; N152-A398 WeakPolarHBondContact O-CB 3.37Å; N152-A398 PolarHBondContact O-N 2.9Å; Y190-A398 HydrophobicContact CD2-CB 4.49Å; Y190-A398 HydrophobicContact CE2-CB 4.02Å; E211-A398 WeakPolarHBondContact O-CB 3.36Å; E211-A398 PolarHBondContact O-N 3.2Å; G212-A398 WeakPolarHBondContact O-CB 3.48Å; A398-C400 HydrophobicContact CB-CB 3.96Å; A398-C400 PolarHBondContact O-N 3.43Å; A398-R404 WeakPolarHBondContact O-CB 3.42Å | ||
| 399 | P | 98.6 | Very high | 98.7 | Very high | 15 Ų | 15 | 18.4 Ų | 18.4 | 10% | 0.097 | 11% | 0.105 | C | C | . | . | S | Bend | trans | -72.3 | 47.6 | 160.4 | 34.3 | -36.4 | 0 | 0 | 0 | 111.1 | F151 A187 Y190 L405 | F151-P399 HydrophobicContact CD1-CB 4.37Å; F151-P399 HydrophobicContact CD1-CG 4.38Å; F151-P399 HydrophobicContact CE1-CB 4.4Å; A187-P399 HydrophobicContact CB-CB 4.33Å; Y190-P399 HydrophobicContact CD1-CG 4.08Å; Y190-P399 HydrophobicContact CD2-CG 4.3Å; Y190-P399 HydrophobicContact CG-CG 3.75Å; P399-L405 HydrophobicContact CB-CD2 4.41Å |
| 400 | C | 98.4 | Very high | 98.7 | Very high | 33 Ų | 33 | 20 Ų | 20 | 22% | 0.223 | 11% | 0.112 | C | C | . | . | trans | -150.5 | 149.8 | -178.1 | -173.9 | 0 | 0 | 0 | 0 | 109 | Y190 A398 R404 | Y190-C400 HydrophobicContact CE1-CB 3.95Å; Y190-C400 WeakPolarHBondContact OH-CB 3.49Å; A398-C400 HydrophobicContact CB-CB 3.96Å; A398-C400 PolarHBondContact O-N 3.43Å; C400-R404 WeakPolarHBondContact O-CB 3.41Å; C400-R404 VanDerWaalsContact O-CG 3.27Å; C400-R404 WeakPolarHBondContact O-CG 3.36Å | ||
| 401 | R | 98.1 | Very high | 98.7 | Very high | 82 Ų | 82 | 19.8 Ų | 19.8 | 31% | 0.309 | 11% | 0.111 | S | C | . | . | S | Bend | trans | 66.8 | 132.8 | -173.3 | -47.1 | 174.4 | 52.7 | 98 | 6.3 | 113.3 | S15 V208 D210 E403 R404 L405 | S15-R401 PolarHBondContact O-NH2 2.83Å; V208-R401 HydrophobicContact CG2-CG 4.46Å; D210-R401 PolarHBondContact O-NE 2.87Å; R401-E403 WeakPolarHBondContact CB-OE1 3.32Å; R401-E403 WeakPolarHBondContact CB-OE2 3.21Å; R401-E403 IonicContact CZ-OE1 3.45Å; R401-E403 IonicContact NE-OE1 2.75Å; R401-E403 PolarHBondContact NE-OE1 2.99Å; R401-E403 IonicContact NE-OE2 2.98Å; R401-E403 IonicContact NH2-OE1 3.55Å; R401-E403 PolarHBondContact NH2-OE1 2.91Å; R401-E403 PolarHBondContact O-N 3.2Å; R401-R404 HydrophobicContact CB-CG 4.28Å; R401-R404 WeakPolarHBondContact O-CB 3.48Å; R401-R404 PolarHBondContact O-N 2.76Å; R401-R404 VanDerWaalsContact O-N 3.11Å; R401-L405 PolarHBondContact O-N 3.29Å |
| 402 | S | 98.8 | Very high | 98.7 | Very high | 97 Ų | 97 | 22.2 Ų | 22.2 | 68% | 0.678 | 12% | 0.123 | S | C | * | . | H | α-helix | trans | -73.1 | -24.7 | -164.4 | -64.8 | 0 | 0 | 0 | 0 | 114.1 | R404 L405 A406 | S402-R404 PolarHBondContact O-N 3.15Å; S402-L405 PolarHBondContact O-N 3.49Å; S402-A406 WeakPolarHBondContact O-CA 3.38Å; S402-A406 WeakPolarHBondContact O-CB 3.38Å; S402-A406 PolarHBondContact O-N 3.5Å |
| 403 | E | 98.6 | Very high | 98.7 | Very high | 20 Ų | 20 | 28.7 Ų | 28.7 | 9% | 0.093 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63.8 | -22.8 | 172.4 | 77.3 | -79 | -172.4 | 0 | 0 | 112.3 | S15 E376 T377 R401 K407 | S15-E403 VanDerWaalsContact CB-CG 3.48Å; E376-E403 HydrophobicContact CB-CB 3.9Å; E376-E403 HydrophobicContact CB-CG 3.67Å; T377-E403 WeakPolarHBondContact O-CB 3.28Å; R401-E403 WeakPolarHBondContact CB-OE1 3.32Å; R401-E403 WeakPolarHBondContact CB-OE2 3.21Å; R401-E403 IonicContact CZ-OE1 3.45Å; R401-E403 IonicContact NE-OE1 2.75Å; R401-E403 PolarHBondContact NE-OE1 2.99Å; R401-E403 IonicContact NE-OE2 2.98Å; R401-E403 IonicContact NH2-OE1 3.55Å; R401-E403 PolarHBondContact NH2-OE1 2.91Å; R401-E403 PolarHBondContact O-N 3.2Å; E403-K407 VanDerWaalsContact O-CD 3.25Å; E403-K407 WeakPolarHBondContact O-CD 3.42Å; E403-K407 WeakPolarHBondContact O-CE 3.19Å; E403-K407 PolarHBondContact O-NZ 2.8Å |
| 404 | R | 98.7 | Very high | 98.7 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -87.2 | -55.4 | 174 | -43.6 | -52.6 | 166.1 | -178.8 | 5.3 | 109.8 | D210 H372 R373 S374 E376 T396 A398 C400 R401 S402 A406 K407 Y408 | D210-R404 PolarHBondContact O-NH2 2.79Å; H372-R404 PolarHBondContact ND1-NH1 3.45Å; H372-R404 VanDerWaalsContact ND1-NH1 3.13Å; R373-R404 PolarHBondContact O-NH1 2.92Å; S374-R404 PolarHBondContact O-NH2 3.12Å; E376-R404 VanDerWaalsContact CB-NH1 3.34Å; T396-R404 VanDerWaalsContact O-CB 3.24Å; T396-R404 WeakPolarHBondContact O-CB 3.43Å; T396-R404 WeakPolarHBondContact O-CD 3.39Å; A398-R404 WeakPolarHBondContact O-CB 3.42Å; C400-R404 WeakPolarHBondContact O-CB 3.41Å; C400-R404 VanDerWaalsContact O-CG 3.27Å; C400-R404 WeakPolarHBondContact O-CG 3.36Å; R401-R404 HydrophobicContact CB-CG 4.28Å; R401-R404 WeakPolarHBondContact O-CB 3.48Å; R401-R404 PolarHBondContact O-N 2.76Å; R401-R404 VanDerWaalsContact O-N 3.11Å; S402-R404 PolarHBondContact O-N 3.15Å; R404-A406 PolarHBondContact O-N 3.41Å; R404-A406 VanDerWaalsContact O-N 3.14Å; R404-K407 PolarHBondContact O-N 3.08Å; R404-Y408 HydrophobicContact CB-CE2 4.49Å; R404-Y408 WeakPolarHBondContact O-CD2 3.23Å; R404-Y408 PolarHBondContact O-N 2.69Å |
| 405 | L | 98.9 | Very high | 98.7 | Very high | 45 Ų | 45 | 29.9 Ų | 29.9 | 24% | 0.236 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -60.7 | -26 | -179.8 | -67.5 | 171.1 | 0 | 0 | 0 | 112.7 | P399 R401 S402 K407 Y408 N409 | P399-L405 HydrophobicContact CB-CD2 4.41Å; R401-L405 PolarHBondContact O-N 3.29Å; S402-L405 PolarHBondContact O-N 3.49Å; L405-K407 VanDerWaalsContact C-N 3.29Å; L405-K407 PolarHBondContact O-N 3.24Å; L405-Y408 HydrophobicContact CD2-CD2 4.48Å; L405-Y408 PolarHBondContact O-N 3.2Å; L405-N409 WeakPolarHBondContact O-CB 3.47Å; L405-N409 PolarHBondContact O-N 3.08Å; L405-N409 PolarHBondContact O-ND2 2.99Å; L405-N409 VanDerWaalsContact O-ND2 3.11Å |
| 406 | A | 98.9 | Very high | 98.7 | Very high | 20 Ų | 20 | 37.7 Ų | 37.7 | 17% | 0.165 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -57 | -43.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | T380 S402 R404 Q410 | T380-A406 HydrophobicContact CG2-CB 3.77Å; T380-A406 VanDerWaalsContact CG2-O 3.26Å; T380-A406 WeakPolarHBondContact CG2-O 3.46Å; S402-A406 WeakPolarHBondContact O-CA 3.38Å; S402-A406 WeakPolarHBondContact O-CB 3.38Å; S402-A406 PolarHBondContact O-N 3.5Å; R404-A406 PolarHBondContact O-N 3.41Å; R404-A406 VanDerWaalsContact O-N 3.14Å; A406-Q410 WeakPolarHBondContact O-CB 3.18Å; A406-Q410 PolarHBondContact O-N 3.06Å |
| 407 | K | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 43.3 Ų | 43.3 | 0% | 0.004 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -72.4 | -45.6 | 179.4 | -73.8 | 65.1 | 160.2 | 175.4 | 0 | 110.9 | E376 T377 D379 I382 A383 T396 E403 R404 L405 N409 Q410 L411 | E376-K407 WeakPolarHBondContact OE1-CE 3.28Å; E376-K407 IonicContact OE1-NZ 3.43Å; E376-K407 WeakPolarHBondContact OE2-CE 3.3Å; E376-K407 IonicContact OE2-NZ 2.84Å; E376-K407 PolarHBondContact OE2-NZ 3.45Å; T377-K407 PolarHBondContact O-NZ 2.92Å; D379-K407 WeakPolarHBondContact O-CD 3.49Å; D379-K407 WeakPolarHBondContact O-CE 3.3Å; D379-K407 PolarHBondContact O-NZ 3.41Å; I382-K407 HydrophobicContact CD1-CG 4.02Å; I382-K407 HydrophobicContact CG1-CG 3.58Å; A383-K407 HydrophobicContact CB-CB 4.21Å; A383-K407 WeakPolarHBondContact CB-O 3.45Å; T396-K407 HydrophobicContact CG2-CB 3.8Å; E403-K407 VanDerWaalsContact O-CD 3.25Å; E403-K407 WeakPolarHBondContact O-CD 3.42Å; E403-K407 WeakPolarHBondContact O-CE 3.19Å; E403-K407 PolarHBondContact O-NZ 2.8Å; R404-K407 PolarHBondContact O-N 3.08Å; L405-K407 VanDerWaalsContact C-N 3.29Å; L405-K407 PolarHBondContact O-N 3.24Å; K407-N409 VanDerWaalsContact C-N 3.34Å; K407-N409 PolarHBondContact O-N 2.97Å; K407-Q410 WeakPolarHBondContact O-CB 3.47Å; K407-Q410 PolarHBondContact O-N 2.91Å; K407-Q410 VanDerWaalsContact O-N 3.13Å; K407-L411 WeakPolarHBondContact O-CG 3.29Å; K407-L411 PolarHBondContact O-N 2.92Å |
| 408 | Y | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.4 | -41.7 | 176.3 | -67.9 | -48.4 | 0 | 0 | 0 | 112.6 | P149 F151 F179 M183 T396 G397 R404 L405 Q410 L411 L412 | P149-Y408 HydrophobicContact CB-CD1 4.26Å; P149-Y408 HydrophobicContact CB-CE1 3.61Å; F151-Y408 HydrophobicContact CD1-CE1 4.08Å; F151-Y408 AromaticContact CD1-CE2 3.75Å; F151-Y408 HydrophobicContact CD1-CE2 3.75Å; F151-Y408 AromaticContact CD1-CZ 3.47Å; F151-Y408 VanDerWaalsContact CD1-CZ 3.47Å; F151-Y408 WeakPolarHBondContact CD1-OH 3.31Å; F151-Y408 HydrophobicContact CE1-CD1 4.03Å; F151-Y408 HydrophobicContact CE1-CD2 4.11Å; F151-Y408 AromaticContact CE1-CE1 3.61Å; F151-Y408 HydrophobicContact CE1-CE1 3.61Å; F151-Y408 AromaticContact CE1-CE2 3.7Å; F151-Y408 HydrophobicContact CE1-CE2 3.7Å; F151-Y408 HydrophobicContact CE1-CG 4.27Å; F151-Y408 AromaticContact CE1-CZ 3.43Å; F151-Y408 VanDerWaalsContact CE1-CZ 3.43Å; F151-Y408 HydrophobicContact CZ-CE1 4.43Å; F179-Y408 WeakPolarHBondContact CE1-O 3.35Å; F179-Y408 HydrophobicContact CZ-CD1 4.08Å; M183-Y408 HydrophobicContact CE-CD1 4.48Å; M183-Y408 HydrophobicContact CE-CD2 4.24Å; M183-Y408 HydrophobicContact CE-CG 3.88Å; M183-Y408 VanDerWaalsContact SD-CB 3.59Å; M183-Y408 HydrophobicContact SD-CD1 3.67Å; M183-Y408 HydrophobicContact SD-CD2 4.44Å; M183-Y408 HydrophobicContact SD-CE1 4.46Å; M183-Y408 HydrophobicContact SD-CG 3.65Å; T396-Y408 HydrophobicContact CG2-CD1 3.74Å; T396-Y408 HydrophobicContact CG2-CD2 4.19Å; T396-Y408 HydrophobicContact CG2-CE1 3.25Å; T396-Y408 HydrophobicContact CG2-CE2 3.74Å; T396-Y408 HydrophobicContact CG2-CG 4.19Å; T396-Y408 PolarHBondContact N-OH 3Å; G397-Y408 WeakPolarHBondContact O-CE2 3.19Å; G397-Y408 PolarHBondContact O-OH 3.09Å; R404-Y408 HydrophobicContact CB-CE2 4.49Å; R404-Y408 WeakPolarHBondContact O-CD2 3.23Å; R404-Y408 PolarHBondContact O-N 2.69Å; L405-Y408 HydrophobicContact CD2-CD2 4.48Å; L405-Y408 PolarHBondContact O-N 3.2Å; Y408-Q410 VanDerWaalsContact C-N 3.31Å; Y408-Q410 PolarHBondContact O-N 3.21Å; Y408-L411 HydrophobicContact CD1-CD1 4.47Å; Y408-L411 WeakPolarHBondContact O-CB 3.23Å; Y408-L411 PolarHBondContact O-N 3.4Å; Y408-L412 PolarHBondContact O-N 3.32Å |
| 409 | N | 98.9 | Very high | 98.8 | Very high | 64 Ų | 64 | 46.4 Ų | 46.4 | 34% | 0.342 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -67.3 | -33.4 | 174.8 | -71 | -27.1 | 0 | 0 | 0 | 111.8 | L405 K407 L412 R413 | L405-N409 WeakPolarHBondContact O-CB 3.47Å; L405-N409 PolarHBondContact O-N 3.08Å; L405-N409 PolarHBondContact O-ND2 2.99Å; L405-N409 VanDerWaalsContact O-ND2 3.11Å; K407-N409 VanDerWaalsContact C-N 3.34Å; K407-N409 PolarHBondContact O-N 2.97Å; N409-L412 PolarHBondContact O-N 3.49Å; N409-R413 WeakPolarHBondContact O-CG 3.38Å; N409-R413 PolarHBondContact O-N 3.09Å; N409-R413 VanDerWaalsContact O-N 3.13Å |
| 410 | Q | 98.9 | Very high | 98.7 | Very high | 36 Ų | 36 | 53.3 Ų | 53.3 | 17% | 0.168 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65 | -41.1 | 172.4 | -178.8 | 61.9 | 5.4 | 0 | 0 | 111.5 | T380 A383 D384 A406 K407 Y408 L412 R413 I414 | T380-Q410 HydrophobicContact CG2-CB 4.04Å; A383-Q410 HydrophobicContact CB-CB 3.74Å; A383-Q410 HydrophobicContact CB-CG 3.67Å; D384-Q410 WeakPolarHBondContact OD2-CG 2.92Å; D384-Q410 PolarHBondContact OD2-NE2 2.67Å; A406-Q410 WeakPolarHBondContact O-CB 3.18Å; A406-Q410 PolarHBondContact O-N 3.06Å; K407-Q410 WeakPolarHBondContact O-CB 3.47Å; K407-Q410 PolarHBondContact O-N 2.91Å; K407-Q410 VanDerWaalsContact O-N 3.13Å; Y408-Q410 VanDerWaalsContact C-N 3.31Å; Y408-Q410 PolarHBondContact O-N 3.21Å; Q410-L412 VanDerWaalsContact C-N 3.34Å; Q410-L412 PolarHBondContact O-N 3.29Å; Q410-R413 WeakPolarHBondContact O-CB 3.42Å; Q410-R413 PolarHBondContact O-N 2.9Å; Q410-R413 VanDerWaalsContact O-N 3.12Å; Q410-I414 HydrophobicContact CG-CD1 4.01Å; Q410-I414 HydrophobicContact CG-CG1 4.48Å; Q410-I414 WeakPolarHBondContact O-CG1 3.31Å; Q410-I414 PolarHBondContact O-N 2.65Å |
| 411 | L | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.1 | -36.8 | 174.2 | -69.7 | 168.4 | 0 | 0 | 0 | 112.7 | L146 P147 F179 A383 V386 V387 I394 K407 Y408 R413 I414 E415 | L146-L411 HydrophobicContact CD1-CB 4.43Å; L146-L411 HydrophobicContact CD1-CD2 4.13Å; P147-L411 HydrophobicContact CG-CD1 3.96Å; P147-L411 HydrophobicContact CG-CD2 4.06Å; F179-L411 HydrophobicContact CD1-CB 3.79Å; F179-L411 HydrophobicContact CD2-CB 4.41Å; F179-L411 HydrophobicContact CE1-CB 3.24Å; F179-L411 HydrophobicContact CE1-CD1 4.26Å; F179-L411 HydrophobicContact CE1-CG 4.37Å; F179-L411 HydrophobicContact CE2-CB 3.94Å; F179-L411 HydrophobicContact CE2-CD1 3.58Å; F179-L411 HydrophobicContact CE2-CG 4.33Å; F179-L411 HydrophobicContact CG-CB 4.35Å; F179-L411 HydrophobicContact CZ-CB 3.33Å; F179-L411 HydrophobicContact CZ-CD1 3.42Å; F179-L411 VanDerWaalsContact CZ-CD1 3.42Å; F179-L411 HydrophobicContact CZ-CG 4Å; A383-L411 HydrophobicContact CB-CD2 4.12Å; A383-L411 HydrophobicContact CB-CG 3.89Å; A383-L411 WeakPolarHBondContact O-CD2 3.47Å; V386-L411 HydrophobicContact CG1-CD2 3.94Å; V387-L411 HydrophobicContact CG2-CD2 3.56Å; I394-L411 HydrophobicContact CD1-CD1 4.39Å; I394-L411 HydrophobicContact CG2-CD1 4Å; K407-L411 WeakPolarHBondContact O-CG 3.29Å; K407-L411 PolarHBondContact O-N 2.92Å; Y408-L411 HydrophobicContact CD1-CD1 4.47Å; Y408-L411 WeakPolarHBondContact O-CB 3.23Å; Y408-L411 PolarHBondContact O-N 3.4Å; L411-R413 VanDerWaalsContact C-N 3.32Å; L411-R413 PolarHBondContact O-N 2.81Å; L411-I414 PolarHBondContact O-N 3.44Å; L411-E415 WeakPolarHBondContact O-CB 3.2Å; L411-E415 PolarHBondContact O-N 3.23Å |
| 412 | L | 98.9 | Very high | 98.6 | Very high | 51 Ų | 51 | 56.7 Ų | 56.7 | 27% | 0.267 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60.6 | -41.3 | 171.3 | -69.8 | 171.2 | 0 | 0 | 0 | 111.9 | F179 K180 M183 Y408 N409 Q410 E416 | F179-L412 HydrophobicContact CD1-CD2 3.9Å; F179-L412 HydrophobicContact CD1-CG 4.22Å; F179-L412 HydrophobicContact CE1-CD2 4.13Å; F179-L412 HydrophobicContact CE1-CG 4.04Å; K180-L412 HydrophobicContact CB-CD2 3.83Å; K180-L412 HydrophobicContact CG-CD2 4.14Å; M183-L412 HydrophobicContact CB-CD2 4.4Å; M183-L412 HydrophobicContact CG-CD2 4.12Å; M183-L412 HydrophobicContact CG-CG 4.35Å; Y408-L412 PolarHBondContact O-N 3.32Å; N409-L412 PolarHBondContact O-N 3.49Å; Q410-L412 VanDerWaalsContact C-N 3.34Å; Q410-L412 PolarHBondContact O-N 3.29Å; L412-E416 PolarHBondContact O-N 3.06Å |
| 413 | R | 98.9 | Very high | 98.6 | Very high | 136 Ų | 136 | 59.1 Ų | 59.1 | 51% | 0.513 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -68.3 | -41 | 177 | -66.1 | 178.9 | -156.9 | 109.9 | 3.7 | 112.1 | N409 Q410 L411 E416 E417 | N409-R413 WeakPolarHBondContact O-CG 3.38Å; N409-R413 PolarHBondContact O-N 3.09Å; N409-R413 VanDerWaalsContact O-N 3.13Å; Q410-R413 WeakPolarHBondContact O-CB 3.42Å; Q410-R413 PolarHBondContact O-N 2.9Å; Q410-R413 VanDerWaalsContact O-N 3.12Å; L411-R413 VanDerWaalsContact C-N 3.32Å; L411-R413 PolarHBondContact O-N 2.81Å; R413-E416 PolarHBondContact O-N 3.31Å; R413-E417 WeakPolarHBondContact O-CB 3.4Å; R413-E417 PolarHBondContact O-N 2.86Å |
| 414 | I | 98.9 | Very high | 98.6 | Very high | 2 Ų | 2 | 59.8 Ų | 59.8 | 1% | 0.01 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.7 | -43.1 | 176.6 | -67 | 167.3 | 0 | 0 | 0 | 110.4 | Y132 V387 Q410 L411 E416 E417 L418 | Y132-I414 HydrophobicContact CD1-CB 4.39Å; Y132-I414 HydrophobicContact CD1-CD1 3.98Å; Y132-I414 HydrophobicContact CD1-CG1 3.75Å; Y132-I414 HydrophobicContact CD1-CG2 3.82Å; Y132-I414 HydrophobicContact CE1-CB 4.38Å; Y132-I414 HydrophobicContact CE1-CG1 4.01Å; Y132-I414 HydrophobicContact CE1-CG2 3.83Å; Y132-I414 HydrophobicContact CG-CG2 4.2Å; V387-I414 HydrophobicContact CG1-CG2 4Å; V387-I414 HydrophobicContact CG2-CD1 4.31Å; V387-I414 HydrophobicContact CG2-CG2 4.14Å; Q410-I414 HydrophobicContact CG-CD1 4.01Å; Q410-I414 HydrophobicContact CG-CG1 4.48Å; Q410-I414 WeakPolarHBondContact O-CG1 3.31Å; Q410-I414 PolarHBondContact O-N 2.65Å; L411-I414 PolarHBondContact O-N 3.44Å; I414-E416 VanDerWaalsContact C-N 3.35Å; I414-E416 PolarHBondContact O-N 3.03Å; I414-E417 PolarHBondContact O-N 3.11Å; I414-L418 HydrophobicContact CG2-CD1 3.79Å; I414-L418 HydrophobicContact CG2-CG 4.39Å; I414-L418 WeakPolarHBondContact O-CB 3.27Å; I414-L418 VanDerWaalsContact O-CG 3.3Å; I414-L418 WeakPolarHBondContact O-CG 3.49Å; I414-L418 PolarHBondContact O-N 2.87Å |
| 415 | E | 98.9 | Very high | 98.6 | Very high | 24 Ų | 24 | 60 Ų | 60 | 11% | 0.112 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -59.4 | -45.1 | 174.3 | 178.5 | 170.4 | -110.1 | 0 | 0 | 111.8 | L146 N178 F179 K180 L411 L418 G419 A422 | L146-E415 HydrophobicContact CD1-CB 4.16Å; L146-E415 HydrophobicContact CG-CB 4.17Å; N178-E415 WeakPolarHBondContact CB-OE1 3.22Å; F179-E415 WeakPolarHBondContact CA-OE1 3.44Å; F179-E415 VanDerWaalsContact CB-OE1 3.25Å; F179-E415 WeakPolarHBondContact CB-OE1 3.26Å; F179-E415 PolarHBondContact N-OE1 3.12Å; K180-E415 VanDerWaalsContact CB-OE2 3.22Å; K180-E415 WeakPolarHBondContact CB-OE2 3.41Å; K180-E415 PolarHBondContact N-OE2 2.77Å; L411-E415 WeakPolarHBondContact O-CB 3.2Å; L411-E415 PolarHBondContact O-N 3.23Å; E415-L418 PolarHBondContact O-N 3.34Å; E415-G419 PolarHBondContact O-N 2.62Å; E415-G419 VanDerWaalsContact O-N 3.15Å; E415-A422 HydrophobicContact CG-CB 4.14Å |
| 416 | E | 98.8 | Very high | 98.6 | Very high | 166 Ų | 166 | 58.2 Ų | 58.2 | 78% | 0.776 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -61.8 | -44.3 | 176.5 | -175 | 177.5 | 95 | 0 | 0 | 112.2 | L412 R413 I414 L418 G419 | L412-E416 PolarHBondContact O-N 3.06Å; R413-E416 PolarHBondContact O-N 3.31Å; I414-E416 VanDerWaalsContact C-N 3.35Å; I414-E416 PolarHBondContact O-N 3.03Å; E416-L418 VanDerWaalsContact C-N 3.35Å; E416-L418 PolarHBondContact O-N 2.85Å; E416-G419 PolarHBondContact O-N 3.48Å |
| 417 | E | 98.8 | Very high | 98.6 | Very high | 117 Ų | 117 | 65.1 Ų | 65.1 | 55% | 0.547 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -64.5 | -37.7 | 178.8 | -173.6 | -178.9 | -160 | 0 | 0 | 112.5 | P130 Y132 R413 I414 G419 | P130-E417 WeakPolarHBondContact CG-OE1 3.31Å; Y132-E417 WeakPolarHBondContact CE1-OE2 3.46Å; Y132-E417 VanDerWaalsContact OH-CD 3.27Å; Y132-E417 PolarHBondContact OH-OE2 2.99Å; R413-E417 WeakPolarHBondContact O-CB 3.4Å; R413-E417 PolarHBondContact O-N 2.86Å; I414-E417 PolarHBondContact O-N 3.11Å; E417-G419 VanDerWaalsContact C-N 3.31Å |
| 418 | L | 98.6 | Very high | 98.6 | Very high | 25 Ų | 25 | 70.3 Ų | 70.3 | 13% | 0.131 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -71.3 | -26.1 | 177.3 | -73 | 168.6 | 0 | 0 | 0 | 112.7 | Y132 V144 L146 I414 E415 E416 D420 K421 A422 | Y132-L418 HydrophobicContact CE2-CD2 4.01Å; Y132-L418 HydrophobicContact CE2-CG 4.46Å; V144-L418 HydrophobicContact CG2-CD1 3.8Å; V144-L418 HydrophobicContact CG2-CD2 3.77Å; V144-L418 HydrophobicContact CG2-CG 4.48Å; L146-L418 HydrophobicContact CD2-CD1 3.63Å; I414-L418 HydrophobicContact CG2-CD1 3.79Å; I414-L418 HydrophobicContact CG2-CG 4.39Å; I414-L418 WeakPolarHBondContact O-CB 3.27Å; I414-L418 VanDerWaalsContact O-CG 3.3Å; I414-L418 WeakPolarHBondContact O-CG 3.49Å; I414-L418 PolarHBondContact O-N 2.87Å; E415-L418 PolarHBondContact O-N 3.34Å; E416-L418 VanDerWaalsContact C-N 3.35Å; E416-L418 PolarHBondContact O-N 2.85Å; L418-D420 PolarHBondContact O-N 3.42Å; L418-K421 WeakPolarHBondContact O-CB 3.39Å; L418-K421 PolarHBondContact O-N 2.92Å; L418-A422 HydrophobicContact CB-CB 3.92Å |
| 419 | G | 98.4 | Very high | 98.6 | Very high | 40 Ų | 40 | 70.9 Ų | 70.9 | 41% | 0.412 | 34% | 0.343 | S | S | . | . | G | 310 helix | trans | 52.2 | -128.1 | 179 | 0 | 0 | 0 | 0 | 0 | 112.2 | E415 E416 E417 K421 A422 | E415-G419 PolarHBondContact O-N 2.62Å; E415-G419 VanDerWaalsContact O-N 3.15Å; E416-G419 PolarHBondContact O-N 3.48Å; E417-G419 VanDerWaalsContact C-N 3.31Å; G419-K421 PolarHBondContact O-N 2.6Å; G419-A422 VanDerWaalsContact O-CB 3.22Å; G419-A422 WeakPolarHBondContact O-CB 3.38Å; G419-A422 PolarHBondContact O-N 3Å |
| 420 | D | 97.6 | Very high | 98.5 | Very high | 161 Ų | 161 | 71.7 Ų | 71.7 | 86% | 0.861 | 34% | 0.342 | S | S | * | . | G | 310 helix | trans | -63.4 | -14.2 | -179.5 | -62.1 | -27.6 | 0 | 0 | 0 | 114.3 | L418 R423 | L418-D420 PolarHBondContact O-N 3.42Å; D420-R423 PolarHBondContact O-NH1 2.86Å |
| 421 | K | 97.3 | Very high | 98.4 | Very high | 165 Ų | 165 | 78.2 Ų | 78.2 | 72% | 0.717 | 37% | 0.365 | S | S | * | . | G | 310 helix | trans | -84.5 | -13.2 | 174.5 | -58.2 | -179.8 | -178 | 175.9 | 0 | 112.5 | L418 G419 R423 | L418-K421 WeakPolarHBondContact O-CB 3.39Å; L418-K421 PolarHBondContact O-N 2.92Å; G419-K421 PolarHBondContact O-N 2.6Å; K421-R423 PolarHBondContact O-N 3.19Å |
| 422 | A | 97.8 | Very high | 98.1 | Very high | 21 Ų | 21 | 79.6 Ų | 79.6 | 17% | 0.174 | 37% | 0.373 | C | S | . | . | trans | -60.3 | 131.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | L146 E415 L418 G419 | L146-A422 HydrophobicContact CD2-CB 4.46Å; E415-A422 HydrophobicContact CG-CB 4.14Å; L418-A422 HydrophobicContact CB-CB 3.92Å; G419-A422 VanDerWaalsContact O-CB 3.22Å; G419-A422 WeakPolarHBondContact O-CB 3.38Å; G419-A422 PolarHBondContact O-N 3Å | ||
| 423 | R | 98.4 | Very high | 97.5 | Very high | 148 Ų | 148 | 84.6 Ų | 84.6 | 56% | 0.558 | 40% | 0.399 | S | S | * | . | trans | -127 | 129.3 | 173.8 | -65.8 | -64.8 | 177.5 | -87.7 | -2 | 107.3 | I145 L146 D420 K421 | I145-R423 HydrophobicContact CD1-CB 4.39Å; I145-R423 HydrophobicContact CG1-CB 3.86Å; I145-R423 VanDerWaalsContact CG1-O 3.22Å; I145-R423 WeakPolarHBondContact CG1-O 3.46Å; L146-R423 WeakPolarHBondContact CB-O 3.36Å; L146-R423 PolarHBondContact N-O 2.65Å; D420-R423 PolarHBondContact O-NH1 2.86Å; K421-R423 PolarHBondContact O-N 3.19Å | ||
| 424 | F | 98.8 | Very high | 97.4 | Very high | 34 Ų | 34 | 82 Ų | 82 | 15% | 0.149 | 39% | 0.393 | C | S | . | . | B | Isolated β-bridge | trans | -102.6 | 132 | 178.3 | 175.4 | -114.3 | 0 | 0 | 0 | 109.3 | L146 P147 V148 A176 F179 A182 G426 | L146-F424 HydrophobicContact CB-CD2 4.29Å; P147-F424 WeakPolarHBondContact O-CE2 3.43Å; V148-F424 HydrophobicContact CB-CZ 4.42Å; V148-F424 HydrophobicContact CG2-CE1 4.33Å; V148-F424 HydrophobicContact CG2-CE2 4.13Å; V148-F424 HydrophobicContact CG2-CZ 3.74Å; A176-F424 HydrophobicContact CB-CE1 3.92Å; A176-F424 HydrophobicContact CB-CZ 4.24Å; A176-F424 WeakPolarHBondContact O-CE1 3.32Å; F179-F424 HydrophobicContact CB-CD2 4.18Å; F179-F424 HydrophobicContact CB-CE2 4.47Å; F179-F424 HydrophobicContact CD2-CE2 4.35Å; A182-F424 HydrophobicContact CB-CE2 4.03Å; A182-F424 HydrophobicContact CB-CZ 3.74Å; F424-G426 VanDerWaalsContact C-N 3.3Å; F424-G426 VanDerWaalsContact CE1-CA 3.5Å; F424-G426 PolarHBondContact O-N 3.24Å |
| 425 | A | 98.8 | Very high | 97.3 | Very high | 5 Ų | 5 | 86.2 Ų | 86.2 | 4% | 0.041 | 41% | 0.413 | C | S | . | . | trans | -63.1 | -35.1 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | I145 L146 V148 G392 K427 N428 F429 P432 | I145-A425 HydrophobicContact CD1-CB 4.28Å; L146-A425 PolarHBondContact O-N 3.04Å; V148-A425 HydrophobicContact CG2-CB 4.45Å; G392-A425 WeakPolarHBondContact O-CB 3.5Å; A425-K427 PolarHBondContact O-N 3.33Å; A425-N428 WeakPolarHBondContact O-CA 3.24Å; A425-N428 WeakPolarHBondContact O-CB 3.28Å; A425-N428 PolarHBondContact O-N 3.13Å; A425-F429 HydrophobicContact CB-CB 4.48Å; A425-P432 HydrophobicContact CB-CB 4.04Å | ||
| 426 | G | 98.7 | Very high | 97.2 | Very high | 7 Ų | 7 | 89.7 Ų | 89.7 | 7% | 0.072 | 43% | 0.43 | C | S | . | . | G | 310 helix | trans | 49.3 | -128.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | V148 V174 F424 N428 F429 | V148-G426 VanDerWaalsContact CG2-O 3.27Å; V148-G426 WeakPolarHBondContact CG2-O 3.3Å; V174-G426 CarbonylContact O-C 3.52Å; V174-G426 VanDerWaalsContact O-C 3.3Å; V174-G426 WeakPolarHBondContact O-CA 3.37Å; F424-G426 VanDerWaalsContact C-N 3.3Å; F424-G426 VanDerWaalsContact CE1-CA 3.5Å; F424-G426 PolarHBondContact O-N 3.24Å; G426-N428 PolarHBondContact O-N 3.25Å; G426-N428 VanDerWaalsContact O-N 3.12Å; G426-F429 WeakPolarHBondContact O-CB 3.19Å; G426-F429 PolarHBondContact O-N 2.72Å |
| 427 | K | 98.3 | Very high | 97.1 | Very high | 164 Ų | 164 | 85.2 Ų | 85.2 | 71% | 0.713 | 41% | 0.41 | S | S | * | . | G | 310 helix | trans | -62.9 | -17.3 | 178.8 | -64 | -174.2 | 178.9 | -178.1 | 0 | 114.1 | V174 A425 F429 | V174-K427 PolarHBondContact O-N 3.05Å; A425-K427 PolarHBondContact O-N 3.33Å; K427-F429 VanDerWaalsContact C-N 3.35Å |
| 428 | N | 98.3 | Very high | 97 | Very high | 111 Ų | 111 | 83.2 Ų | 83.2 | 59% | 0.594 | 40% | 0.401 | S | S | * | . | G | 310 helix | trans | -92.5 | 14.1 | 179.3 | -60.6 | -30.8 | 0 | 0 | 0 | 113.2 | A425 G426 R430 R431 P432 | A425-N428 WeakPolarHBondContact O-CA 3.24Å; A425-N428 WeakPolarHBondContact O-CB 3.28Å; A425-N428 PolarHBondContact O-N 3.13Å; G426-N428 PolarHBondContact O-N 3.25Å; G426-N428 VanDerWaalsContact O-N 3.12Å; N428-R430 PolarHBondContact O-N 3.45Å; N428-R431 CarbonylContact O-C 3.51Å; N428-R431 PolarHBondContact O-N 3.31Å; N428-P432 WeakPolarHBondContact O-CA 3.27Å; N428-P432 VanDerWaalsContact O-N 3.15Å |
| 429 | F | 98.7 | Very high | 96.9 | Very high | 12 Ų | 12 | 87.1 Ų | 87.1 | 5% | 0.053 | 42% | 0.419 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49.5 | -28.4 | -175.4 | 77.4 | -84.9 | 0 | 0 | 0 | 115.8 | V148 L172 V174 V291 G392 Q393 A425 G426 K427 | V148-F429 HydrophobicContact CB-CB 3.99Å; V148-F429 HydrophobicContact CG2-CB 3.66Å; L172-F429 HydrophobicContact CD2-CE2 4.38Å; V174-F429 HydrophobicContact CG1-CD1 3.91Å; V174-F429 HydrophobicContact CG1-CE1 4.18Å; V291-F429 HydrophobicContact CG2-CE1 4.5Å; V291-F429 HydrophobicContact CG2-CZ 4.12Å; G392-F429 WeakPolarHBondContact O-CB 3.41Å; Q393-F429 HydrophobicContact CB-CB 4.38Å; Q393-F429 HydrophobicContact CB-CD2 4.03Å; Q393-F429 HydrophobicContact CG-CD2 4.23Å; Q393-F429 PolarHBondContact NE2-O 3.43Å; Q393-F429 VanDerWaalsContact NE2-O 3.11Å; A425-F429 HydrophobicContact CB-CB 4.48Å; G426-F429 WeakPolarHBondContact O-CB 3.19Å; G426-F429 PolarHBondContact O-N 2.72Å; K427-F429 VanDerWaalsContact C-N 3.35Å |
| 430 | R | 98.6 | Very high | 96.8 | Very high | 81 Ų | 81 | 90.4 Ų | 90.4 | 31% | 0.306 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -34.1 | 178 | -59.5 | 178.1 | 65.7 | 179 | 5.5 | 113 | S313 I314 N339 G367 N428 | S313-R430 PolarHBondContact O-NH1 2.94Å; I314-R430 PolarHBondContact O-NH2 2.9Å; I314-R430 VanDerWaalsContact O-NH2 3.08Å; N339-R430 PolarHBondContact ND2-NH2 2.75Å; N339-R430 PolarHBondContact OD1-NH2 3.05Å; G367-R430 WeakPolarHBondContact CA-O 3.02Å; N428-R430 PolarHBondContact O-N 3.45Å |
| 431 | R | 95.8 | Very high | 96.7 | Very high | 173 Ų | 173 | 85 Ų | 85 | 65% | 0.653 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -151.1 | 78.7 | -175.3 | -65.6 | -171.9 | -174.7 | 168.7 | 3.8 | 108.9 | G365 N428 | G365-R431 PolarHBondContact O-NE 3.35Å; G365-R431 PolarHBondContact O-NH2 3.16Å; N428-R431 CarbonylContact O-C 3.51Å; N428-R431 PolarHBondContact O-N 3.31Å |
| 432 | P | 93.7 | Very high | 96.7 | Very high | 28 Ų | 28 | 78.3 Ų | 78.3 | 18% | 0.182 | 36% | 0.358 | C | S | . | . | trans | -75.7 | -21.8 | -171.7 | 27.5 | -35.8 | 0 | 0 | 0 | 114.8 | I145 C390 A425 N428 | I145-P432 HydrophobicContact CD1-CB 3.42Å; I145-P432 VanDerWaalsContact CD1-CB 3.42Å; I145-P432 HydrophobicContact CG1-CB 4.48Å; I145-P432 HydrophobicContact CG2-CB 3.89Å; I145-P432 HydrophobicContact CG2-CG 4.05Å; C390-P432 WeakPolarHBondContact O-CG 3.18Å; A425-P432 HydrophobicContact CB-CB 4.04Å; N428-P432 WeakPolarHBondContact O-CA 3.27Å; N428-P432 VanDerWaalsContact O-N 3.15Å | ||
| 433 | I | 84.6 | Confident | 96.6 | Very high | 156 Ų | 156 | 83.5 Ų | 83.5 | 80% | 0.8 | 38% | 0.375 | S | S | * | . | trans | -130.6 | 0 | -176.8 | -54.9 | -174.1 | 0 | 0 | 0 | 109.1 | C390 | C390-I433 HydrophobicContact CB-CD1 3.46Å; C390-I433 VanDerWaalsContact CB-CD1 3.46Å; C390-I433 HydrophobicContact CB-CG1 4.34Å |
Retrieved 433 of 433 residues in 858.6 ms
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