| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 61.5 | Low | 73.2 | Confident | 21 Ų | 21 | 55.2 Ų | 55.2 | 10% | 0.103 | 29% | 0.292 | C | S | . | . | 0 | 151.6 | 0 | 179.6 | -172 | 173 | 0 | 0 | 109 | C4 F607 E608 C611 H644 C645 S648 | M1-C4 HydrophobicContact CE-CB 4.47Å; M1-C4 WeakPolarHBondContact CE-SG 3.09Å; M1-F607 HydrophobicContact CB-CE1 4.25Å; M1-F607 HydrophobicContact CB-CZ 3.78Å; M1-F607 HydrophobicContact CE-CD1 4.29Å; M1-F607 HydrophobicContact CE-CE1 3.71Å; M1-F607 HydrophobicContact CG-CE1 3.48Å; M1-F607 VanDerWaalsContact CG-CE1 3.48Å; M1-F607 HydrophobicContact CG-CZ 3.49Å; M1-F607 VanDerWaalsContact CG-CZ 3.49Å; M1-F607 HydrophobicContact SD-CD1 4.1Å; M1-F607 HydrophobicContact SD-CE1 3.41Å; M1-F607 WeakPolarHBondContact SD-CE1 3.24Å; M1-F607 HydrophobicContact SD-CZ 3.9Å; M1-E608 WeakPolarHBondContact CE-OE2 3.32Å; M1-C611 HydrophobicContact CB-CB 4.09Å; M1-C611 VanDerWaalsContact CB-SG 3.53Å; M1-C611 HydrophobicContact SD-CB 3.59Å; M1-C611 VanDerWaalsContact SD-CB 3.59Å; M1-H644 PolarHBondContact N-O 3.34Å; M1-C645 PolarHBondContact N-SG 3.47Å; M1-C645 VanDerWaalsContact N-SG 3.43Å; M1-S648 PolarHBondContact N-OG 3.44Å; M1-S648 VanDerWaalsContact N-OG 3.12Å | |||
| 2 | A | 60.1 | Low | 74.5 | Confident | 5 Ų | 5 | 50.6 Ų | 50.6 | 4% | 0.041 | 27% | 0.267 | C | S | . | . | trans | -54.2 | 141.2 | 166.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | C4 T118 L120 | A2-C4 PolarHBondContact O-N 3.47Å; A2-C4 VanDerWaalsContact O-N 3.09Å; A2-T118 CarbonylContact C-O 3.58Å; A2-T118 WeakPolarHBondContact CA-O 3.5Å; A2-L120 HydrophobicContact CB-CB 3.94Å; A2-L120 HydrophobicContact CB-CD1 3.38Å; A2-L120 HydrophobicContact CB-CG 4.12Å | ||
| 3 | K | 66.5 | Low | 75.4 | Confident | 133 Ų | 133 | 50.2 Ų | 50.2 | 58% | 0.578 | 27% | 0.266 | S | S | * | . | trans | -65.3 | 113.6 | 172.6 | -70.1 | -172.8 | 178.2 | -177.3 | 0 | 108.4 | T118 S119 | K3-T118 PolarHBondContact N-O 3.11Å; K3-S119 VanDerWaalsContact O-CB 3.31Å; K3-S119 WeakPolarHBondContact O-CB 3.38Å | ||
| 4 | C | 66.8 | Low | 76 | Confident | 29 Ų | 29 | 50.1 Ų | 50.1 | 20% | 0.196 | 26% | 0.262 | C | S | . | . | trans | -74.6 | 148.8 | 172.8 | -77.1 | 0 | 0 | 0 | 0 | 112.2 | M1 A2 I6 E124 | M1-C4 HydrophobicContact CE-CB 4.47Å; M1-C4 WeakPolarHBondContact CE-SG 3.09Å; A2-C4 PolarHBondContact O-N 3.47Å; A2-C4 VanDerWaalsContact O-N 3.09Å; C4-I6 WeakPolarHBondContact CB-O 3.44Å; C4-I6 PolarHBondContact O-N 3.15Å; C4-E124 VanDerWaalsContact CA-OE1 3.28Å; C4-E124 WeakPolarHBondContact CA-OE1 3.45Å | ||
| 5 | S | 64.7 | Low | 76.6 | Confident | 86 Ų | 86 | 47.4 Ų | 47.4 | 60% | 0.601 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -60.8 | -31.6 | 175.7 | 54.4 | 0 | 0 | 0 | 0 | 113 | E124 | S5-E124 PolarHBondContact N-OE2 2.93Å; S5-E124 PolarHBondContact OG-OE2 3.45Å |
| 6 | I | 73.5 | Confident | 77.4 | Confident | 54 Ų | 54 | 45.1 Ų | 45.1 | 28% | 0.277 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -121.4 | 152.7 | 179.8 | 58 | 175.6 | 0 | 0 | 0 | 111.1 | C4 F11 | C4-I6 WeakPolarHBondContact CB-O 3.44Å; C4-I6 PolarHBondContact O-N 3.15Å; I6-F11 HydrophobicContact CD1-CB 3.71Å; I6-F11 HydrophobicContact CD1-CD2 3.98Å; I6-F11 HydrophobicContact CD1-CG 4.34Å; I6-F11 HydrophobicContact CG1-CB 4.15Å |
| 7 | S | 78.6 | Confident | 78.1 | Confident | 59 Ų | 59 | 42.6 Ų | 42.6 | 41% | 0.413 | 22% | 0.223 | S | C | . | . | trans | -69.1 | 152.3 | 174.6 | 64.9 | 0 | 0 | 0 | 0 | 111.2 | E9 K10 F11 | S7-E9 VanDerWaalsContact C-N 3.29Å; S7-E9 PolarHBondContact O-N 3.5Å; S7-K10 WeakPolarHBondContact O-CB 3.5Å; S7-K10 PolarHBondContact O-N 3.48Å; S7-K10 WeakPolarHBondContact OG-CG 3.36Å; S7-K10 PolarHBondContact OG-N 3.45Å; S7-F11 PolarHBondContact O-N 2.98Å | ||
| 8 | G | 80 | Confident | 79 | Confident | 3 Ų | 3 | 40.3 Ų | 40.3 | 3% | 0.031 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -56.6 | -40.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | K10 F11 I12 E608 | G8-K10 PolarHBondContact O-N 2.94Å; G8-F11 PolarHBondContact O-N 3.27Å; G8-I12 VanDerWaalsContact O-CG1 3.26Å; G8-I12 WeakPolarHBondContact O-CG1 3.48Å; G8-I12 PolarHBondContact O-N 2.7Å; G8-E608 VanDerWaalsContact CA-CD 3.49Å; G8-E608 WeakPolarHBondContact CA-OE1 3.08Å; G8-E608 PolarHBondContact N-OE1 3.4Å |
| 9 | E | 84.7 | Confident | 79.7 | Confident | 78 Ų | 78 | 38.6 Ų | 38.6 | 36% | 0.364 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -60.9 | -43.7 | 174.8 | -64.9 | 176.2 | 177.7 | 0 | 0 | 111.9 | S7 I12 N13 Y567 L568 | S7-E9 VanDerWaalsContact C-N 3.29Å; S7-E9 PolarHBondContact O-N 3.5Å; E9-I12 PolarHBondContact O-N 3.29Å; E9-N13 WeakPolarHBondContact O-CB 3.33Å; E9-N13 VanDerWaalsContact O-CG 3.23Å; E9-N13 PolarHBondContact O-N 3.35Å; E9-N13 PolarHBondContact O-ND2 2.95Å; E9-Y567 HydrophobicContact CG-CE1 3.94Å; E9-L568 HydrophobicContact CB-CD2 4.14Å; E9-L568 HydrophobicContact CG-CD2 4.32Å |
| 10 | K | 83.4 | Confident | 80.4 | Confident | 139 Ų | 139 | 36.7 Ų | 36.7 | 60% | 0.604 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -65.5 | -41.3 | 176.3 | -75.5 | -175.9 | 178.1 | -172.4 | 0 | 111.7 | S7 G8 N13 F14 | S7-K10 WeakPolarHBondContact O-CB 3.5Å; S7-K10 PolarHBondContact O-N 3.48Å; S7-K10 WeakPolarHBondContact OG-CG 3.36Å; S7-K10 PolarHBondContact OG-N 3.45Å; G8-K10 PolarHBondContact O-N 2.94Å; K10-N13 PolarHBondContact O-N 3Å; K10-F14 WeakPolarHBondContact O-CB 3.42Å; K10-F14 PolarHBondContact O-N 3.05Å |
| 11 | F | 85.8 | Confident | 80.9 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.6 | -46.4 | 176.4 | 173.4 | -105 | 0 | 0 | 0 | 111.7 | I6 S7 G8 F14 V15 R127 I131 H289 L605 E608 | I6-F11 HydrophobicContact CD1-CB 3.71Å; I6-F11 HydrophobicContact CD1-CD2 3.98Å; I6-F11 HydrophobicContact CD1-CG 4.34Å; I6-F11 HydrophobicContact CG1-CB 4.15Å; S7-F11 PolarHBondContact O-N 2.98Å; G8-F11 PolarHBondContact O-N 3.27Å; F11-F14 WeakPolarHBondContact O-CB 3.18Å; F11-F14 PolarHBondContact O-N 3.49Å; F11-V15 HydrophobicContact CD1-CG2 4.4Å; F11-V15 HydrophobicContact CD2-CG2 4.17Å; F11-V15 HydrophobicContact CE1-CG2 3.95Å; F11-V15 HydrophobicContact CE2-CG2 3.73Å; F11-V15 HydrophobicContact CZ-CG2 3.6Å; F11-V15 WeakPolarHBondContact O-CB 3.26Å; F11-V15 WeakPolarHBondContact O-CG2 3.29Å; F11-V15 PolarHBondContact O-N 2.97Å; F11-R127 HydrophobicContact CZ-CG 3.85Å; F11-I131 HydrophobicContact CE1-CD1 4.2Å; F11-I131 HydrophobicContact CZ-CD1 3.96Å; F11-H289 AromaticContact CD2-NE2 3.6Å; F11-H289 AromaticContact CE2-NE2 3.35Å; F11-H289 VanDerWaalsContact CE2-NE2 3.35Å; F11-H289 WeakPolarHBondContact CE2-NE2 3.27Å; F11-L605 HydrophobicContact CE1-CD2 4.21Å; F11-E608 HydrophobicContact CD1-CG 4.47Å |
| 12 | I | 88.7 | Confident | 82.4 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -67.4 | -42.6 | -179.4 | -63.7 | 177.9 | 0 | 0 | 0 | 110.9 | G8 E9 F14 V15 F16 L564 Y567 L568 L605 | G8-I12 VanDerWaalsContact O-CG1 3.26Å; G8-I12 WeakPolarHBondContact O-CG1 3.48Å; G8-I12 PolarHBondContact O-N 2.7Å; E9-I12 PolarHBondContact O-N 3.29Å; I12-F14 VanDerWaalsContact C-N 3.27Å; I12-F14 PolarHBondContact O-N 2.91Å; I12-V15 PolarHBondContact O-N 2.87Å; I12-F16 HydrophobicContact CG2-CD2 3.79Å; I12-F16 HydrophobicContact CG2-CE2 4.19Å; I12-F16 WeakPolarHBondContact O-CD2 3.29Å; I12-F16 PolarHBondContact O-N 3.19Å; I12-L564 HydrophobicContact CD1-CD2 4.01Å; I12-Y567 HydrophobicContact CD1-CD1 3.62Å; I12-Y567 HydrophobicContact CD1-CE1 3.47Å; I12-Y567 VanDerWaalsContact CD1-CE1 3.47Å; I12-L568 HydrophobicContact CB-CD2 4.19Å; I12-L568 HydrophobicContact CG2-CD1 3.89Å; I12-L568 HydrophobicContact CG2-CD2 4.18Å; I12-L568 HydrophobicContact CG2-CG 4.35Å; I12-L605 HydrophobicContact CD1-CD2 4.48Å; I12-L605 HydrophobicContact CG1-CD2 3.99Å |
| 13 | N | 85.9 | Confident | 83.9 | Confident | 46 Ų | 46 | 34.2 Ų | 34.2 | 25% | 0.246 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62 | -36.6 | 174.1 | -70.2 | -14.1 | 0 | 0 | 0 | 112.2 | E9 K10 F16 S17 Y532 | E9-N13 WeakPolarHBondContact O-CB 3.33Å; E9-N13 VanDerWaalsContact O-CG 3.23Å; E9-N13 PolarHBondContact O-N 3.35Å; E9-N13 PolarHBondContact O-ND2 2.95Å; K10-N13 PolarHBondContact O-N 3Å; N13-F16 CarbonylContact O-C 3.56Å; N13-S17 PolarHBondContact O-N 2.92Å; N13-Y532 PolarHBondContact OD1-OH 3.05Å |
| 14 | F | 83.5 | Confident | 85 | Confident | 48 Ų | 48 | 28.6 Ų | 28.6 | 21% | 0.211 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -68.1 | -42.6 | 175.2 | -174.8 | -72.7 | 0 | 0 | 0 | 111.3 | K10 F11 I12 S17 Q69 K71 Y128 H289 | K10-F14 WeakPolarHBondContact O-CB 3.42Å; K10-F14 PolarHBondContact O-N 3.05Å; F11-F14 WeakPolarHBondContact O-CB 3.18Å; F11-F14 PolarHBondContact O-N 3.49Å; I12-F14 VanDerWaalsContact C-N 3.27Å; I12-F14 PolarHBondContact O-N 2.91Å; F14-S17 PolarHBondContact O-OG 3.42Å; F14-Q69 VanDerWaalsContact CD2-CD 3.48Å; F14-K71 WeakPolarHBondContact O-CE 3.04Å; F14-K71 PolarHBondContact O-NZ 3.29Å; F14-Y128 AromaticContact CD1-CE2 3.9Å; F14-Y128 HydrophobicContact CD1-CE2 3.9Å; F14-Y128 HydrophobicContact CE1-CD2 4.27Å; F14-Y128 AromaticContact CE1-CE2 3.32Å; F14-Y128 HydrophobicContact CE1-CE2 3.32Å; F14-Y128 AromaticContact CE1-CZ 3.65Å; F14-Y128 WeakPolarHBondContact CE1-OH 3.36Å; F14-Y128 HydrophobicContact CZ-CE2 4.36Å; F14-H289 AromaticContact CD1-CE1 3.29Å; F14-H289 WeakPolarHBondContact CD1-CE1 3.07Å; F14-H289 AromaticContact CD1-ND1 3.84Å; F14-H289 AromaticContact CE1-CE1 3.3Å; F14-H289 WeakPolarHBondContact CE1-CE1 3.45Å; F14-H289 AromaticContact CE1-ND1 3.45Å; F14-H289 WeakPolarHBondContact CE1-ND1 3.49Å; F14-H289 AromaticContact CZ-ND1 3.71Å |
| 15 | V | 85 | Confident | 86.1 | Confident | 10 Ų | 10 | 27.5 Ų | 27.5 | 6% | 0.061 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -65.3 | -42.5 | 178 | 165.5 | 0 | 0 | 0 | 0 | 110.9 | F11 I12 K71 I131 | F11-V15 HydrophobicContact CD1-CG2 4.4Å; F11-V15 HydrophobicContact CD2-CG2 4.17Å; F11-V15 HydrophobicContact CE1-CG2 3.95Å; F11-V15 HydrophobicContact CE2-CG2 3.73Å; F11-V15 HydrophobicContact CZ-CG2 3.6Å; F11-V15 WeakPolarHBondContact O-CB 3.26Å; F11-V15 WeakPolarHBondContact O-CG2 3.29Å; F11-V15 PolarHBondContact O-N 2.97Å; I12-V15 PolarHBondContact O-N 2.87Å; V15-K71 VanDerWaalsContact C-NZ 3.35Å; V15-K71 PolarHBondContact O-NZ 3.46Å; V15-I131 HydrophobicContact CG1-CB 4.44Å; V15-I131 HydrophobicContact CG1-CG2 3.42Å; V15-I131 VanDerWaalsContact CG1-CG2 3.42Å |
| 16 | F | 89.4 | Confident | 87 | Confident | 10 Ų | 10 | 28.1 Ų | 28.1 | 4% | 0.044 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.8 | 60.9 | 179.6 | -61.1 | -68.8 | 0 | 0 | 0 | 111.9 | I12 N13 N142 F527 L528 L564 L605 | I12-F16 HydrophobicContact CG2-CD2 3.79Å; I12-F16 HydrophobicContact CG2-CE2 4.19Å; I12-F16 WeakPolarHBondContact O-CD2 3.29Å; I12-F16 PolarHBondContact O-N 3.19Å; N13-F16 CarbonylContact O-C 3.56Å; F16-N142 HydrophobicContact CD1-CB 4.05Å; F16-N142 WeakPolarHBondContact CE1-ND2 3.48Å; F16-F527 HydrophobicContact CB-CD1 4.4Å; F16-F527 HydrophobicContact CB-CE1 3.77Å; F16-F527 HydrophobicContact CD2-CE1 4.14Å; F16-F527 HydrophobicContact CD2-CZ 4.48Å; F16-F527 HydrophobicContact CG-CE1 4.09Å; F16-L528 HydrophobicContact CB-CD2 4.43Å; F16-L528 VanDerWaalsContact O-CD2 3.28Å; F16-L528 WeakPolarHBondContact O-CD2 3.26Å; F16-L564 HydrophobicContact CE2-CD1 3.97Å; F16-L564 HydrophobicContact CZ-CD1 4.47Å; F16-L605 HydrophobicContact CE2-CD1 3.75Å; F16-L605 HydrophobicContact CE2-CD2 4.2Å; F16-L605 HydrophobicContact CZ-CD1 3.8Å |
| 17 | S | 89.8 | Confident | 87.6 | Confident | 3 Ų | 3 | 27.2 Ų | 27.2 | 2% | 0.021 | 15% | 0.147 | C | C | . | . | P | Polyproline II helix | trans | -100.8 | 144 | 172.9 | 60.4 | 0 | 0 | 0 | 0 | 110.7 | N13 F14 C19 Q69 K71 | N13-S17 PolarHBondContact O-N 2.92Å; F14-S17 PolarHBondContact O-OG 3.42Å; S17-C19 PolarHBondContact O-N 3.43Å; S17-Q69 WeakPolarHBondContact CB-O 3.34Å; S17-K71 WeakPolarHBondContact OG-CD 3.33Å; S17-K71 WeakPolarHBondContact OG-CE 3.47Å; S17-K71 WeakPolarHBondContact OG-CG 3.18Å |
| 18 | P | 93.9 | Very high | 88 | Confident | 1 Ų | 1 | 24.4 Ų | 24.4 | 1% | 0.006 | 13% | 0.127 | C | C | . | . | P | Polyproline II helix | trans | -47.7 | 127.8 | 177.9 | -28 | 28.9 | 0 | 0 | 0 | 114.5 | L68 Q69 L70 K71 L146 L528 F529 | P18-L68 HydrophobicContact CG-CD1 4.21Å; P18-Q69 WeakPolarHBondContact CD-O 3.5Å; P18-L70 HydrophobicContact CB-CD2 3.83Å; P18-L70 HydrophobicContact CG-CD2 4.13Å; P18-K71 PolarHBondContact O-N 2.71Å; P18-L146 HydrophobicContact CB-CD1 3.88Å; P18-L528 HydrophobicContact CG-CB 4.18Å; P18-F529 HydrophobicContact CB-CZ 4.42Å; P18-F529 HydrophobicContact CG-CE1 4.43Å; P18-F529 HydrophobicContact CG-CE2 4.14Å; P18-F529 HydrophobicContact CG-CZ 3.95Å |
| 19 | C | 91.7 | Very high | 88.3 | Confident | 9 Ų | 9 | 25.9 Ų | 25.9 | 6% | 0.061 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 135.6 | 177.7 | -59 | 0 | 0 | 0 | 0 | 111.5 | S17 K71 F73 N145 L146 | S17-C19 PolarHBondContact O-N 3.43Å; C19-K71 CarbonylContact C-O 3.58Å; C19-F73 HydrophobicContact CB-CD2 4.31Å; C19-F73 HydrophobicContact CB-CE2 4.04Å; C19-N145 WeakPolarHBondContact CB-OD1 3.36Å; C19-N145 WeakPolarHBondContact O-CA 3.38Å; C19-L146 PolarHBondContact O-N 3.46Å |
| 20 | V | 93.9 | Very high | 88.2 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 120.1 | 177.1 | 180 | 0 | 0 | 0 | 0 | 108.1 | K71 F72 F73 A147 I149 F389 | V20-K71 PolarHBondContact N-O 3.15Å; V20-F72 HydrophobicContact CB-CD1 3.86Å; V20-F72 HydrophobicContact CB-CE1 4.03Å; V20-F72 HydrophobicContact CG1-CD1 3.96Å; V20-F72 HydrophobicContact CG1-CE1 4.01Å; V20-F72 HydrophobicContact CG2-CE1 4.39Å; V20-F72 WeakPolarHBondContact O-CA 3.37Å; V20-F73 PolarHBondContact O-N 3.44Å; V20-A147 HydrophobicContact CG1-CB 4.18Å; V20-A147 HydrophobicContact CG2-CB 4.5Å; V20-I149 HydrophobicContact CG1-CD1 3.67Å; V20-I149 HydrophobicContact CG1-CG1 3.69Å; V20-F389 HydrophobicContact CG1-CE1 4.22Å; V20-F389 HydrophobicContact CG1-CZ 3.95Å; V20-F389 HydrophobicContact CG2-CE1 3.96Å; V20-F389 HydrophobicContact CG2-CZ 4.12Å |
| 21 | G | 91.1 | Very high | 88.2 | Confident | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 143.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | F73 A147 C148 I149 | G21-F73 CarbonylContact C-O 3.49Å; G21-A147 PolarHBondContact N-O 3.42Å; G21-C148 CarbonylContact O-C 3.53Å; G21-C148 WeakPolarHBondContact O-CA 3.39Å; G21-I149 PolarHBondContact O-N 3.18Å |
| 22 | L | 93.4 | Very high | 88.2 | Confident | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 130.8 | 173.3 | -55 | 177.8 | 0 | 0 | 0 | 109.2 | V24 F39 E40 L43 F72 F73 I75 I149 | L22-V24 HydrophobicContact CB-CG2 3.93Å; L22-F39 HydrophobicContact CD1-CD1 4.16Å; L22-E40 HydrophobicContact CD1-CB 3.93Å; L22-E40 HydrophobicContact CD1-CG 4.16Å; L22-L43 HydrophobicContact CD1-CD1 4.4Å; L22-L43 HydrophobicContact CD2-CD1 4.42Å; L22-F72 HydrophobicContact CD1-CB 3.93Å; L22-F72 HydrophobicContact CD2-CB 4.48Å; L22-F72 HydrophobicContact CD2-CD1 3.99Å; L22-F72 HydrophobicContact CG-CB 4.22Å; L22-F73 PolarHBondContact N-O 2.79Å; L22-I75 WeakPolarHBondContact O-CB 3.45Å; L22-I75 PolarHBondContact O-N 3.05Å; L22-I149 WeakPolarHBondContact CA-O 3.49Å; L22-I149 HydrophobicContact CD2-CB 3.75Å; L22-I149 HydrophobicContact CD2-CD1 4.07Å; L22-I149 HydrophobicContact CD2-CG1 4.27Å; L22-I149 HydrophobicContact CD2-CG2 4.35Å |
| 23 | L | 91.4 | Very high | 87.9 | Confident | 10 Ų | 10 | 26 Ų | 26 | 5% | 0.052 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 99.9 | 164.6 | -80 | 170.6 | 0 | 0 | 0 | 107.7 | I75 I149 F150 V151 Q170 | L23-I75 HydrophobicContact CD1-CD1 4.34Å; L23-I75 HydrophobicContact CD2-CB 3.89Å; L23-I75 HydrophobicContact CD2-CD1 4.41Å; L23-I75 HydrophobicContact CD2-CG2 3.92Å; L23-I75 HydrophobicContact CG-CB 4.25Å; L23-I75 HydrophobicContact CG-CD1 3.86Å; L23-I149 PolarHBondContact N-O 2.82Å; L23-F150 HydrophobicContact CB-CD1 3.99Å; L23-F150 HydrophobicContact CB-CE1 4.34Å; L23-F150 HydrophobicContact CD1-CD1 4.16Å; L23-F150 HydrophobicContact CD1-CE1 3.67Å; L23-F150 WeakPolarHBondContact O-CA 3.08Å; L23-V151 PolarHBondContact O-N 3.1Å; L23-Q170 HydrophobicContact CD1-CB 3.58Å; L23-Q170 HydrophobicContact CD1-CG 4.13Å |
| 24 | V | 90.7 | Very high | 87.7 | Confident | 15 Ų | 15 | 30.4 Ų | 30.4 | 9% | 0.091 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 129.7 | -173.1 | -176.3 | 0 | 0 | 0 | 0 | 108.2 | L22 V28 F39 V151 | L22-V24 HydrophobicContact CB-CG2 3.93Å; V24-V28 HydrophobicContact CG1-CB 3.49Å; V24-V28 VanDerWaalsContact CG1-CB 3.49Å; V24-V28 HydrophobicContact CG1-CG1 3.39Å; V24-V28 HydrophobicContact CG1-CG2 4.34Å; V24-F39 HydrophobicContact CG1-CB 4.04Å; V24-F39 HydrophobicContact CG2-CB 4.16Å; V24-F39 HydrophobicContact CG2-CD1 3.94Å; V24-F39 HydrophobicContact CG2-CG 4.37Å; V24-V151 HydrophobicContact CG1-CB 4.46Å; V24-V151 HydrophobicContact CG2-CB 4.35Å; V24-V151 HydrophobicContact CG2-CG2 4.14Å |
| 25 | S | 89 | Confident | 87.4 | Confident | 6 Ų | 6 | 28.4 Ų | 28.4 | 4% | 0.042 | 14% | 0.144 | C | C | . | . | trans | -73.5 | 153.7 | 174.6 | 57.3 | 0 | 0 | 0 | 0 | 112.1 | D27 V28 N29 V151 L152 | S25-D27 VanDerWaalsContact C-N 3.28Å; S25-D27 WeakPolarHBondContact CB-OD1 3.41Å; S25-D27 PolarHBondContact O-N 2.89Å; S25-D27 PolarHBondContact OG-OD1 3.04Å; S25-V28 WeakPolarHBondContact O-CB 3.48Å; S25-V28 PolarHBondContact O-N 3.21Å; S25-V28 WeakPolarHBondContact OG-CG2 3.48Å; S25-N29 PolarHBondContact O-N 2.84Å; S25-V151 PolarHBondContact N-O 2.75Å; S25-V151 VanDerWaalsContact N-O 3.13Å; S25-V151 PolarHBondContact OG-O 3.26Å; S25-V151 VanDerWaalsContact OG-O 3.13Å; S25-L152 VanDerWaalsContact CB-CD2 3.41Å; S25-L152 VanDerWaalsContact OG-CD2 3.25Å; S25-L152 WeakPolarHBondContact OG-CD2 3.45Å | ||
| 26 | P | 84.3 | Confident | 87.3 | Confident | 99 Ų | 99 | 29 Ų | 29 | 64% | 0.643 | 15% | 0.147 | S | C | * | . | H | α-helix | trans | -56.2 | -38.3 | -175.3 | -27.5 | 35.7 | 0 | 0 | 0 | 114.4 | V28 N29 E30 | P26-V28 VanDerWaalsContact C-N 3.3Å; P26-V28 PolarHBondContact O-N 2.88Å; P26-N29 PolarHBondContact O-N 3.27Å; P26-E30 WeakPolarHBondContact O-CG 3.12Å; P26-E30 PolarHBondContact O-N 3.42Å |
| 27 | D | 85.9 | Confident | 87.1 | Confident | 36 Ų | 36 | 28.5 Ų | 28.5 | 19% | 0.193 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60.6 | -32.9 | 176.6 | 57.5 | -40.7 | 0 | 0 | 0 | 113.3 | S25 L31 T153 | S25-D27 VanDerWaalsContact C-N 3.28Å; S25-D27 WeakPolarHBondContact CB-OD1 3.41Å; S25-D27 PolarHBondContact O-N 2.89Å; S25-D27 PolarHBondContact OG-OD1 3.04Å; D27-L31 WeakPolarHBondContact O-CB 3.35Å; D27-L31 PolarHBondContact O-N 3.33Å; D27-T153 HydrophobicContact CB-CG2 4.19Å; D27-T153 VanDerWaalsContact OD2-CB 3.31Å; D27-T153 WeakPolarHBondContact OD2-CB 3.48Å; D27-T153 WeakPolarHBondContact OD2-CG2 3.32Å; D27-T153 PolarHBondContact OD2-N 3.14Å; D27-T153 PolarHBondContact OD2-OG1 3.19Å |
| 28 | V | 87.4 | Confident | 86.9 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -69.8 | -43.3 | 175.6 | 170.9 | 0 | 0 | 0 | 0 | 110.8 | V24 S25 P26 L31 C32 F39 V151 T153 L196 | V24-V28 HydrophobicContact CG1-CB 3.49Å; V24-V28 VanDerWaalsContact CG1-CB 3.49Å; V24-V28 HydrophobicContact CG1-CG1 3.39Å; V24-V28 HydrophobicContact CG1-CG2 4.34Å; S25-V28 WeakPolarHBondContact O-CB 3.48Å; S25-V28 PolarHBondContact O-N 3.21Å; S25-V28 WeakPolarHBondContact OG-CG2 3.48Å; P26-V28 VanDerWaalsContact C-N 3.3Å; P26-V28 PolarHBondContact O-N 2.88Å; V28-L31 WeakPolarHBondContact O-CB 3.19Å; V28-L31 PolarHBondContact O-N 3.43Å; V28-C32 PolarHBondContact O-N 3.23Å; V28-C32 PolarHBondContact O-SG 3.27Å; V28-F39 HydrophobicContact CG1-CB 4.05Å; V28-F39 HydrophobicContact CG1-CD2 3.88Å; V28-F39 HydrophobicContact CG1-CG 4.08Å; V28-V151 HydrophobicContact CG1-CG1 3.87Å; V28-V151 HydrophobicContact CG2-CB 4.42Å; V28-V151 HydrophobicContact CG2-CG1 3.93Å; V28-T153 HydrophobicContact CB-CG2 4.2Å; V28-T153 HydrophobicContact CG2-CG2 3.52Å; V28-L196 HydrophobicContact CB-CD2 4.47Å; V28-L196 HydrophobicContact CG1-CD2 3.69Å; V28-L196 HydrophobicContact CG2-CD2 4.41Å |
| 29 | N | 84.8 | Confident | 86.7 | Confident | 33 Ų | 33 | 30 Ų | 30 | 18% | 0.176 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -66.5 | -39.9 | 176.9 | -81.8 | -29.8 | 0 | 0 | 0 | 110.7 | S25 P26 L31 C32 L33 F39 | S25-N29 PolarHBondContact O-N 2.84Å; P26-N29 PolarHBondContact O-N 3.27Å; N29-L31 VanDerWaalsContact C-N 3.28Å; N29-L31 PolarHBondContact O-N 3.14Å; N29-C32 PolarHBondContact O-N 3.24Å; N29-L33 VanDerWaalsContact O-CB 3.29Å; N29-L33 WeakPolarHBondContact O-CB 3.26Å; N29-L33 WeakPolarHBondContact O-CG 3.46Å; N29-L33 PolarHBondContact O-N 2.88Å; N29-F39 PolarHBondContact OD1-N 3.18Å |
| 30 | E | 83.5 | Confident | 86.5 | Confident | 132 Ų | 132 | 30.9 Ų | 30.9 | 62% | 0.617 | 16% | 0.157 | S | C | * | . | H | α-helix | trans | -57.6 | -39.9 | 172.4 | -73.9 | 176.8 | -170.5 | 0 | 0 | 112.6 | P26 | P26-E30 WeakPolarHBondContact O-CG 3.12Å; P26-E30 PolarHBondContact O-N 3.42Å |
| 31 | L | 83.2 | Confident | 86.2 | Confident | 10 Ų | 10 | 31.4 Ų | 31.4 | 5% | 0.052 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -65 | -47.2 | 175.2 | -176.5 | 65.7 | 0 | 0 | 0 | 111.8 | D27 V28 N29 L33 R34 T153 L196 D198 I229 T231 | D27-L31 WeakPolarHBondContact O-CB 3.35Å; D27-L31 PolarHBondContact O-N 3.33Å; V28-L31 WeakPolarHBondContact O-CB 3.19Å; V28-L31 PolarHBondContact O-N 3.43Å; N29-L31 VanDerWaalsContact C-N 3.28Å; N29-L31 PolarHBondContact O-N 3.14Å; L31-L33 VanDerWaalsContact C-N 3.34Å; L31-L33 PolarHBondContact O-N 3.33Å; L31-R34 VanDerWaalsContact CD1-NH1 3.28Å; L31-R34 WeakPolarHBondContact O-CB 3.49Å; L31-R34 PolarHBondContact O-N 3.02Å; L31-T153 HydrophobicContact CD2-CG2 4.35Å; L31-L196 HydrophobicContact CD2-CD2 3.71Å; L31-L196 HydrophobicContact CD2-CG 4Å; L31-D198 HydrophobicContact CD1-CB 3.92Å; L31-D198 WeakPolarHBondContact CD1-OD2 3.39Å; L31-D198 HydrophobicContact CD2-CB 4.15Å; L31-I229 HydrophobicContact CD2-CD1 4Å; L31-I229 HydrophobicContact CD2-CG1 4.31Å; L31-I229 HydrophobicContact CG-CD1 4.32Å; L31-T231 HydrophobicContact CD1-CG2 3.76Å; L31-T231 VanDerWaalsContact CD1-OG1 3.27Å; L31-T231 WeakPolarHBondContact CD1-OG1 3.48Å; L31-T231 HydrophobicContact CG-CG2 3.96Å |
| 32 | C | 85 | Confident | 86.1 | Confident | 3 Ų | 3 | 31.6 Ų | 31.6 | 2% | 0.02 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -69.5 | -30.7 | -179.7 | -60.4 | 0 | 0 | 0 | 0 | 112.7 | V28 N29 R34 D35 L37 | V28-C32 PolarHBondContact O-N 3.23Å; V28-C32 PolarHBondContact O-SG 3.27Å; N29-C32 PolarHBondContact O-N 3.24Å; C32-R34 PolarHBondContact O-N 3.35Å; C32-D35 WeakPolarHBondContact O-CA 3.47Å; C32-D35 PolarHBondContact O-N 3.49Å; C32-L37 CarbonylContact C-O 3.58Å; C32-L37 WeakPolarHBondContact CB-O 3.41Å; C32-L37 PolarHBondContact O-N 3.44Å |
| 33 | L | 83.2 | Confident | 86 | Confident | 74 Ų | 74 | 31.6 Ų | 31.6 | 39% | 0.387 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -65.1 | -20 | 179.7 | -78.4 | 169.6 | 0 | 0 | 0 | 112.8 | N29 L31 D35 N36 L37 R365 | N29-L33 VanDerWaalsContact O-CB 3.29Å; N29-L33 WeakPolarHBondContact O-CB 3.26Å; N29-L33 WeakPolarHBondContact O-CG 3.46Å; N29-L33 PolarHBondContact O-N 2.88Å; L31-L33 VanDerWaalsContact C-N 3.34Å; L31-L33 PolarHBondContact O-N 3.33Å; L33-D35 PolarHBondContact O-N 3.43Å; L33-N36 PolarHBondContact O-N 3.01Å; L33-L37 PolarHBondContact N-O 3.1Å; L33-R365 VanDerWaalsContact CD2-NH2 3.32Å |
| 34 | R | 80.9 | Confident | 85.7 | Confident | 139 Ų | 139 | 34.7 Ų | 34.7 | 53% | 0.525 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -26.1 | 170 | -60.5 | 177.7 | -176.3 | 167.5 | 0.5 | 112.7 | L31 C32 D198 T231 | L31-R34 VanDerWaalsContact CD1-NH1 3.28Å; L31-R34 WeakPolarHBondContact O-CB 3.49Å; L31-R34 PolarHBondContact O-N 3.02Å; C32-R34 PolarHBondContact O-N 3.35Å; R34-D198 IonicContact NH1-OD2 3.2Å; R34-D198 PolarHBondContact NH1-OD2 2.97Å; R34-T231 PolarHBondContact NH1-OG1 2.71Å; R34-T231 VanDerWaalsContact NH1-OG1 3.08Å |
| 35 | D | 77.5 | Confident | 85.4 | Confident | 7 Ų | 7 | 35.4 Ų | 35.4 | 4% | 0.037 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | 16.7 | 174.4 | -79.7 | -46.5 | 0 | 0 | 0 | 112.9 | C32 L33 L37 G371 H373 | C32-D35 WeakPolarHBondContact O-CA 3.47Å; C32-D35 PolarHBondContact O-N 3.49Å; L33-D35 PolarHBondContact O-N 3.43Å; D35-L37 PolarHBondContact O-N 3.18Å; D35-G371 PolarHBondContact O-N 3.31Å; D35-H373 WeakPolarHBondContact OD1-CB 2.97Å; D35-H373 IonicContact OD1-CG 3Å; D35-H373 VanDerWaalsContact OD1-CG 3.28Å; D35-H373 PolarHBondContact OD1-N 2.91Å; D35-H373 IonicContact OD1-ND1 2.75Å; D35-H373 PolarHBondContact OD1-ND1 3.29Å |
| 36 | N | 84.2 | Confident | 85.4 | Confident | 21 Ų | 21 | 36.2 Ų | 36.2 | 11% | 0.112 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.2 | 25.3 | -179.5 | -161.6 | 34.5 | 0 | 0 | 0 | 113.9 | L33 R365 E368 H370 | L33-N36 PolarHBondContact O-N 3.01Å; N36-R365 PolarHBondContact ND2-O 3.38Å; N36-R365 WeakPolarHBondContact OD1-CG 3.25Å; N36-E368 PolarHBondContact ND2-O 3.39Å; N36-H370 PolarHBondContact ND2-CD2 3.09Å; N36-H370 PolarHBondContact O-CD2 3.49Å |
| 37 | L | 85 | Confident | 85.6 | Confident | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | trans | -130 | 148.7 | -174.8 | -70.8 | 166.3 | 0 | 0 | 0 | 112 | C32 L33 D35 E41 L42 W282 L286 H370 L374 | C32-L37 CarbonylContact C-O 3.58Å; C32-L37 WeakPolarHBondContact CB-O 3.41Å; C32-L37 PolarHBondContact O-N 3.44Å; L33-L37 PolarHBondContact N-O 3.1Å; D35-L37 PolarHBondContact O-N 3.18Å; L37-E41 HydrophobicContact CD2-CB 3.83Å; L37-L42 HydrophobicContact CD1-CD1 4.17Å; L37-W282 HydrophobicContact CD1-CD2 4.44Å; L37-W282 HydrophobicContact CD1-CG 4.41Å; L37-W282 HydrophobicContact CD2-CG 4.39Å; L37-L286 HydrophobicContact CD2-CD1 4.17Å; L37-L286 HydrophobicContact CD2-CD2 4.27Å; L37-H370 HydrophobicContact CD2-CB 3.98Å; L37-H370 HydrophobicContact CG-CB 4.18Å; L37-L374 HydrophobicContact CD1-CD1 4.26Å | ||
| 38 | T | 86 | Confident | 85.7 | Confident | 36 Ų | 36 | 35.4 Ų | 35.4 | 22% | 0.221 | 17% | 0.168 | C | C | . | . | trans | -84.4 | 163.2 | 158.7 | 59.3 | 0 | 0 | 0 | 0 | 110.7 | E40 E41 L42 | T38-E40 VanDerWaalsContact C-N 3.28Å; T38-E40 PolarHBondContact O-N 2.88Å; T38-E41 WeakPolarHBondContact CB-OE2 3.38Å; T38-E41 WeakPolarHBondContact CG2-OE2 3.44Å; T38-E41 PolarHBondContact N-OE2 3.39Å; T38-E41 PolarHBondContact O-N 2.68Å; T38-E41 VanDerWaalsContact O-N 3.14Å; T38-E41 WeakPolarHBondContact OG1-CB 3.49Å; T38-E41 VanDerWaalsContact OG1-CD 3.23Å; T38-E41 WeakPolarHBondContact OG1-CG 3.47Å; T38-E41 PolarHBondContact OG1-N 2.89Å; T38-E41 PolarHBondContact OG1-OE2 3.14Å; T38-L42 PolarHBondContact O-N 3.43Å | ||
| 39 | F | 89.1 | Confident | 85.8 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.8 | -34.5 | 178 | -172.2 | -98 | 0 | 0 | 0 | 112.7 | L22 V24 V28 N29 L42 L43 V151 L196 L227 F385 | L22-F39 HydrophobicContact CD1-CD1 4.16Å; V24-F39 HydrophobicContact CG1-CB 4.04Å; V24-F39 HydrophobicContact CG2-CB 4.16Å; V24-F39 HydrophobicContact CG2-CD1 3.94Å; V24-F39 HydrophobicContact CG2-CG 4.37Å; V28-F39 HydrophobicContact CG1-CB 4.05Å; V28-F39 HydrophobicContact CG1-CD2 3.88Å; V28-F39 HydrophobicContact CG1-CG 4.08Å; N29-F39 PolarHBondContact OD1-N 3.18Å; F39-L42 HydrophobicContact CD2-CD2 4.12Å; F39-L42 HydrophobicContact CE2-CD2 4.28Å; F39-L42 WeakPolarHBondContact O-CB 3.48Å; F39-L42 PolarHBondContact O-N 3.19Å; F39-L43 HydrophobicContact CD1-CD1 4.24Å; F39-L43 HydrophobicContact CE1-CD1 3.64Å; F39-L43 HydrophobicContact CE1-CG 4.15Å; F39-L43 HydrophobicContact CZ-CD1 4.19Å; F39-L43 HydrophobicContact CZ-CD2 4.34Å; F39-L43 HydrophobicContact CZ-CG 4.39Å; F39-L43 PolarHBondContact O-N 3.22Å; F39-V151 HydrophobicContact CD1-CG1 4.5Å; F39-V151 HydrophobicContact CD1-CG2 3.95Å; F39-V151 HydrophobicContact CD2-CG1 4.38Å; F39-V151 HydrophobicContact CE1-CB 4.42Å; F39-V151 HydrophobicContact CE1-CG1 4.17Å; F39-V151 HydrophobicContact CE1-CG2 3.53Å; F39-V151 HydrophobicContact CE2-CG1 4.04Å; F39-V151 HydrophobicContact CZ-CG1 3.92Å; F39-V151 HydrophobicContact CZ-CG2 4.02Å; F39-L196 HydrophobicContact CD2-CD2 4.5Å; F39-L227 HydrophobicContact CE2-CD2 4.27Å; F39-F385 HydrophobicContact CZ-CE1 4.46Å |
| 40 | E | 87.8 | Confident | 85.5 | Confident | 27 Ų | 27 | 37.5 Ų | 37.5 | 13% | 0.126 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.9 | -48.7 | 172.1 | -172.1 | -158.1 | 123 | 0 | 0 | 111.1 | L22 T38 L42 L43 R44 F72 D74 | L22-E40 HydrophobicContact CD1-CB 3.93Å; L22-E40 HydrophobicContact CD1-CG 4.16Å; T38-E40 VanDerWaalsContact C-N 3.28Å; T38-E40 PolarHBondContact O-N 2.88Å; E40-L42 VanDerWaalsContact C-N 3.3Å; E40-L42 PolarHBondContact O-N 2.96Å; E40-L43 PolarHBondContact O-N 2.88Å; E40-L43 VanDerWaalsContact O-N 3.16Å; E40-R44 PolarHBondContact O-N 2.86Å; E40-R44 IonicContact OE1-CZ 2.91Å; E40-R44 IonicContact OE1-NE 3.97Å; E40-R44 PolarHBondContact OE1-NE 3.03Å; E40-R44 IonicContact OE1-NH2 3.72Å; E40-R44 PolarHBondContact OE1-NH2 3.23Å; E40-F72 HydrophobicContact CG-CB 4.43Å; E40-F72 WeakPolarHBondContact CG-O 3.24Å; E40-D74 PolarHBondContact OE2-N 3.43Å |
| 41 | E | 87 | Confident | 85.6 | Confident | 11 Ų | 11 | 37.4 Ų | 37.4 | 5% | 0.051 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63.2 | -34.2 | 179.4 | -73.3 | 171.6 | 146.5 | 0 | 0 | 112.6 | L37 T38 L43 R44 W282 L286 R365 Y366 | L37-E41 HydrophobicContact CD2-CB 3.83Å; T38-E41 WeakPolarHBondContact CB-OE2 3.38Å; T38-E41 WeakPolarHBondContact CG2-OE2 3.44Å; T38-E41 PolarHBondContact N-OE2 3.39Å; T38-E41 PolarHBondContact O-N 2.68Å; T38-E41 VanDerWaalsContact O-N 3.14Å; T38-E41 WeakPolarHBondContact OG1-CB 3.49Å; T38-E41 VanDerWaalsContact OG1-CD 3.23Å; T38-E41 WeakPolarHBondContact OG1-CG 3.47Å; T38-E41 PolarHBondContact OG1-N 2.89Å; T38-E41 PolarHBondContact OG1-OE2 3.14Å; E41-L43 VanDerWaalsContact C-N 3.3Å; E41-L43 PolarHBondContact O-N 3.22Å; E41-R44 PolarHBondContact O-N 3.19Å; E41-W282 PolarHBondContact O-NE1 3.05Å; E41-L286 HydrophobicContact CB-CD2 3.62Å; E41-L286 HydrophobicContact CG-CD2 3.55Å; E41-R365 IonicContact OE2-NH1 2.78Å; E41-Y366 PolarHBondContact OE1-OH 3.29Å |
| 42 | L | 88.6 | Confident | 85.8 | Confident | 4 Ų | 4 | 40.8 Ų | 40.8 | 2% | 0.021 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.1 | -39.6 | 173.6 | -177.2 | 69.3 | 0 | 0 | 0 | 112 | L37 T38 F39 E40 W282 L374 I382 | L37-L42 HydrophobicContact CD1-CD1 4.17Å; T38-L42 PolarHBondContact O-N 3.43Å; F39-L42 HydrophobicContact CD2-CD2 4.12Å; F39-L42 HydrophobicContact CE2-CD2 4.28Å; F39-L42 WeakPolarHBondContact O-CB 3.48Å; F39-L42 PolarHBondContact O-N 3.19Å; E40-L42 VanDerWaalsContact C-N 3.3Å; E40-L42 PolarHBondContact O-N 2.96Å; L42-W282 HydrophobicContact CD1-CZ2 4.32Å; L42-L374 HydrophobicContact CD1-CD1 3.45Å; L42-L374 VanDerWaalsContact CD1-CD1 3.45Å; L42-L374 HydrophobicContact CD1-CD2 4.23Å; L42-L374 HydrophobicContact CD1-CG 4.49Å; L42-I382 HydrophobicContact CD1-CD1 3.81Å; L42-I382 HydrophobicContact CD2-CD1 4.19Å; L42-I382 HydrophobicContact CG-CD1 3.98Å |
| 43 | L | 90.8 | Very high | 86.1 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -80.9 | -20.9 | -177.6 | -63.1 | -176.3 | 0 | 0 | 0 | 114 | L22 F39 E40 E41 F46 S47 F72 I382 F385 V386 | L22-L43 HydrophobicContact CD1-CD1 4.4Å; L22-L43 HydrophobicContact CD2-CD1 4.42Å; F39-L43 HydrophobicContact CD1-CD1 4.24Å; F39-L43 HydrophobicContact CE1-CD1 3.64Å; F39-L43 HydrophobicContact CE1-CG 4.15Å; F39-L43 HydrophobicContact CZ-CD1 4.19Å; F39-L43 HydrophobicContact CZ-CD2 4.34Å; F39-L43 HydrophobicContact CZ-CG 4.39Å; F39-L43 PolarHBondContact O-N 3.22Å; E40-L43 PolarHBondContact O-N 2.88Å; E40-L43 VanDerWaalsContact O-N 3.16Å; E41-L43 VanDerWaalsContact C-N 3.3Å; E41-L43 PolarHBondContact O-N 3.22Å; L43-F46 CarbonylContact O-C 3.52Å; L43-F46 PolarHBondContact O-N 3.44Å; L43-S47 PolarHBondContact O-N 2.94Å; L43-F72 HydrophobicContact CB-CD2 3.93Å; L43-F72 HydrophobicContact CB-CE2 4.3Å; L43-F72 HydrophobicContact CB-CG 4.41Å; L43-F72 HydrophobicContact CD1-CD1 4.15Å; L43-F72 HydrophobicContact CD1-CD2 4.25Å; L43-F72 HydrophobicContact CD1-CE1 4.4Å; L43-F72 HydrophobicContact CD1-CE2 4.49Å; L43-F72 HydrophobicContact CD1-CG 4.07Å; L43-I382 HydrophobicContact CD2-CG2 3.72Å; L43-F385 HydrophobicContact CD1-CE1 4Å; L43-F385 HydrophobicContact CD2-CD1 3.9Å; L43-F385 HydrophobicContact CD2-CE1 3.71Å; L43-V386 HydrophobicContact CD2-CG2 4.17Å |
| 44 | R | 85.5 | Confident | 86.4 | Confident | 74 Ų | 74 | 41.4 Ų | 41.4 | 28% | 0.279 | 21% | 0.208 | S | C | . | . | G | 310 helix | trans | -53.1 | -43.3 | -172.4 | -75.8 | -177.4 | -176.7 | 174.3 | 5.3 | 114.7 | E40 E41 F46 S47 H285 | E40-R44 PolarHBondContact O-N 2.86Å; E40-R44 IonicContact OE1-CZ 2.91Å; E40-R44 IonicContact OE1-NE 3.97Å; E40-R44 PolarHBondContact OE1-NE 3.03Å; E40-R44 IonicContact OE1-NH2 3.72Å; E40-R44 PolarHBondContact OE1-NH2 3.23Å; E41-R44 PolarHBondContact O-N 3.19Å; R44-F46 PolarHBondContact O-N 3.33Å; R44-S47 VanDerWaalsContact O-CB 3.24Å; R44-S47 WeakPolarHBondContact O-CB 3.35Å; R44-S47 PolarHBondContact O-N 3.19Å; R44-S47 PolarHBondContact O-OG 3.24Å; R44-H285 HydrophobicContact CB-CB 4.32Å |
| 45 | P | 85.2 | Confident | 86.6 | Confident | 31 Ų | 31 | 34.9 Ų | 34.9 | 20% | 0.201 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -64 | -28.1 | 177.5 | -21.8 | 33.5 | 0 | 0 | 0 | 114 | W282 H285 | P45-W282 HydrophobicContact CG-CD2 4.13Å; P45-W282 HydrophobicContact CG-CG 4.21Å; P45-W282 HydrophobicContact CG-CZ2 4.11Å; P45-W282 VanDerWaalsContact CG-NE1 3.33Å; P45-H285 HydrophobicContact CG-CB 4.07Å |
| 46 | F | 88.6 | Confident | 86.9 | Confident | 23 Ų | 23 | 41.3 Ų | 41.3 | 10% | 0.101 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -95.4 | 4 | -176.8 | -50.7 | -78.5 | 0 | 0 | 0 | 112.7 | L43 R44 Q48 W282 R379 I382 H383 V386 | L43-F46 CarbonylContact O-C 3.52Å; L43-F46 PolarHBondContact O-N 3.44Å; R44-F46 PolarHBondContact O-N 3.33Å; F46-Q48 PolarHBondContact O-N 3.46Å; F46-W282 HydrophobicContact CE2-CH2 4.34Å; F46-W282 AromaticContact CE2-CZ2 3.89Å; F46-W282 HydrophobicContact CE2-CZ2 3.89Å; F46-W282 HydrophobicContact CZ-CH2 4.37Å; F46-W282 HydrophobicContact CZ-CZ2 4.36Å; F46-R379 HydrophobicContact CE1-CB 4.15Å; F46-R379 WeakPolarHBondContact CE1-O 3.21Å; F46-R379 HydrophobicContact CZ-CB 3.87Å; F46-R379 HydrophobicContact CZ-CG 4.09Å; F46-I382 HydrophobicContact CB-CG2 4.4Å; F46-I382 HydrophobicContact CD2-CB 4.11Å; F46-I382 HydrophobicContact CD2-CG2 3.32Å; F46-I382 HydrophobicContact CE2-CB 3.98Å; F46-I382 HydrophobicContact CE2-CD1 4.23Å; F46-I382 HydrophobicContact CE2-CG2 3.61Å; F46-I382 HydrophobicContact CG-CG2 3.86Å; F46-I382 HydrophobicContact CZ-CB 4.31Å; F46-I382 HydrophobicContact CZ-CG2 4.38Å; F46-H383 HydrophobicContact CD1-CB 3.65Å; F46-H383 HydrophobicContact CE1-CB 4.07Å; F46-V386 HydrophobicContact CB-CG2 4.07Å; F46-V386 WeakPolarHBondContact O-CG1 3.17Å |
| 47 | S | 87.9 | Confident | 86.7 | Confident | 19 Ų | 19 | 41.4 Ų | 41.4 | 13% | 0.133 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -62.8 | -24.2 | -178.8 | 63.6 | 0 | 0 | 0 | 0 | 114 | L43 R44 Q69 L70 | L43-S47 PolarHBondContact O-N 2.94Å; R44-S47 VanDerWaalsContact O-CB 3.24Å; R44-S47 WeakPolarHBondContact O-CB 3.35Å; R44-S47 PolarHBondContact O-N 3.19Å; R44-S47 PolarHBondContact O-OG 3.24Å; S47-Q69 WeakPolarHBondContact O-CA 3.42Å; S47-L70 WeakPolarHBondContact CB-O 3.48Å; S47-L70 PolarHBondContact O-N 3.03Å |
| 48 | Q | 88.4 | Confident | 86.3 | Confident | 99 Ų | 99 | 43.8 Ų | 43.8 | 46% | 0.463 | 22% | 0.22 | S | C | . | . | B | Isolated β-bridge | trans | -99.7 | 122.3 | 173.5 | -176.2 | 165.5 | 36.2 | 0 | 0 | 110.3 | F46 S50 N67 Q69 | F46-Q48 PolarHBondContact O-N 3.46Å; Q48-S50 PolarHBondContact O-N 2.95Å; Q48-N67 HydrophobicContact CG-CB 4.41Å; Q48-Q69 HydrophobicContact CB-CG 4.47Å |
| 49 | L | 88.7 | Confident | 85.9 | Confident | 2 Ų | 2 | 46.6 Ų | 46.6 | 1% | 0.01 | 23% | 0.234 | C | C | . | . | trans | -69.8 | 131 | 176.5 | -59.3 | -175.1 | 0 | 0 | 0 | 110.4 | K51 V53 L68 V386 Y387 | L49-K51 VanDerWaalsContact C-N 3.32Å; L49-V53 HydrophobicContact CD1-CG2 3.67Å; L49-L68 HydrophobicContact CD1-CB 4.08Å; L49-L68 HydrophobicContact CD1-CD2 4.09Å; L49-L68 HydrophobicContact CD1-CG 4.39Å; L49-L68 HydrophobicContact CG-CB 4.47Å; L49-L68 PolarHBondContact N-O 3.36Å; L49-V386 HydrophobicContact CD2-CG1 3.94Å; L49-Y387 HydrophobicContact CD2-CD2 4.48Å | ||
| 50 | S | 80.3 | Confident | 85.5 | Confident | 75 Ų | 75 | 52 Ų | 52 | 52% | 0.524 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -73.5 | -21.3 | 178.4 | 53.2 | 0 | 0 | 0 | 0 | 114.1 | Q48 H383 | Q48-S50 PolarHBondContact O-N 2.95Å; S50-H383 PolarHBondContact OG-CE1 2.82Å; S50-H383 PolarHBondContact OG-NE2 3.17Å |
| 51 | K | 84.5 | Confident | 85.3 | Confident | 129 Ų | 129 | 54.1 Ų | 54.1 | 56% | 0.561 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -110.6 | 139.4 | -179.6 | -65.4 | 179.6 | -177.8 | 175.4 | 0 | 110.2 | L49 V53 Y387 | L49-K51 VanDerWaalsContact C-N 3.32Å; K51-V53 WeakPolarHBondContact O-CG2 3.46Å; K51-Y387 HydrophobicContact CB-CE2 4.16Å; K51-Y387 HydrophobicContact CD-CE2 4.31Å |
| 52 | D | 88.1 | Confident | 85.3 | Confident | 81 Ų | 81 | 57.5 Ų | 57.5 | 43% | 0.433 | 30% | 0.298 | S | S | . | . | trans | -61.3 | 137.8 | 168.7 | -71 | -8.9 | 0 | 0 | 0 | 109.8 | K66 N67 | D52-K66 VanDerWaalsContact OD1-CA 3.27Å; D52-K66 WeakPolarHBondContact OD1-CA 3.26Å; D52-N67 PolarHBondContact OD1-N 3.21Å | ||
| 53 | V | 90 | Very high | 85.1 | Confident | 8 Ų | 8 | 60 Ų | 60 | 5% | 0.048 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 150.6 | -178.2 | -161 | 0 | 0 | 0 | 0 | 109.6 | L49 K51 V65 V391 L395 | L49-V53 HydrophobicContact CD1-CG2 3.67Å; K51-V53 WeakPolarHBondContact O-CG2 3.46Å; V53-V65 PolarHBondContact N-O 2.97Å; V53-V65 PolarHBondContact O-N 3.2Å; V53-V391 HydrophobicContact CG1-CG2 3.89Å; V53-L395 HydrophobicContact CB-CD1 3.95Å; V53-L395 HydrophobicContact CG1-CD1 3.11Å |
| 54 | T | 89.5 | Confident | 85 | Confident | 83 Ų | 83 | 63.2 Ų | 63.2 | 51% | 0.509 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 147.7 | 179.6 | 62.7 | 0 | 0 | 0 | 0 | 111.2 | V62 H63 | T54-V62 HydrophobicContact CG2-CG1 4.08Å; T54-H63 CarbonylContact C-O 3.53Å; T54-H63 WeakPolarHBondContact CA-O 2.74Å |
| 55 | F | 85.2 | Confident | 85.1 | Confident | 1 Ų | 1 | 59.8 Ų | 59.8 | 0% | 0.004 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 158.4 | 173.4 | 80.2 | -77.3 | 0 | 0 | 0 | 111 | H63 V65 L395 E399 M402 F529 Q531 | F55-H63 HydrophobicContact CD1-CB 4.37Å; F55-H63 HydrophobicContact CE1-CB 4.18Å; F55-H63 PolarHBondContact N-O 2.93Å; F55-H63 PolarHBondContact O-N 3.29Å; F55-V65 HydrophobicContact CD1-CG2 3.51Å; F55-V65 HydrophobicContact CE1-CG2 3.42Å; F55-V65 VanDerWaalsContact CE1-CG2 3.42Å; F55-L395 HydrophobicContact CB-CD2 4.22Å; F55-E399 WeakPolarHBondContact CA-OE1 3.3Å; F55-E399 HydrophobicContact CB-CG 4.07Å; F55-E399 HydrophobicContact CD2-CG 4.02Å; F55-M402 HydrophobicContact CE2-CE 4.44Å; F55-M402 HydrophobicContact CE2-SD 3.7Å; F55-M402 HydrophobicContact CZ-SD 4.46Å; F55-F529 HydrophobicContact CE1-CB 3.96Å; F55-F529 HydrophobicContact CZ-CB 3.75Å; F55-Q531 HydrophobicContact CE1-CG 4.14Å; F55-Q531 VanDerWaalsContact CZ-CD 3.48Å; F55-Q531 HydrophobicContact CZ-CG 3.66Å |
| 56 | R | 84.8 | Confident | 85.2 | Confident | 142 Ų | 142 | 64.5 Ų | 64.5 | 54% | 0.536 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 134.1 | -173.8 | -63.2 | 179.2 | -163.9 | 158 | 6.1 | 112.1 | V61 V62 E399 | R56-V61 WeakPolarHBondContact CA-O 3.45Å; R56-V62 HydrophobicContact CG-CG2 4.01Å; R56-E399 PolarHBondContact N-OE1 3.22Å; R56-E399 WeakPolarHBondContact O-CG 3.39Å |
| 57 | D | 80.4 | Confident | 84.9 | Confident | 24 Ų | 24 | 67.2 Ų | 67.2 | 13% | 0.128 | 35% | 0.353 | C | S | . | . | trans | -79.3 | -176.9 | 170.5 | 73.8 | 13 | 0 | 0 | 0 | 112.9 | N59 N60 V61 H63 | D57-N59 PolarHBondContact O-N 3.29Å; D57-N59 WeakPolarHBondContact OD1-CA 3.44Å; D57-N59 WeakPolarHBondContact OD1-CB 3.29Å; D57-N59 PolarHBondContact OD1-N 3.49Å; D57-N60 PolarHBondContact O-N 2.76Å; D57-N60 PolarHBondContact OD1-N 3.39Å; D57-N60 VanDerWaalsContact OD1-N 3.14Å; D57-V61 PolarHBondContact N-O 2.89Å; D57-V61 WeakPolarHBondContact OD1-CB 3.35Å; D57-V61 PolarHBondContact OD1-N 2.83Å; D57-V61 WeakPolarHBondContact OD2-CB 3.39Å; D57-H63 IonicContact OD2-CD2 3.71Å; D57-H63 IonicContact OD2-CE1 3.21Å; D57-H63 IonicContact OD2-NE2 3.78Å; D57-H63 PolarHBondContact OD2-NE2 3.25Å | ||
| 58 | N | 75.2 | Confident | 85 | Confident | 51 Ų | 51 | 66.4 Ų | 66.4 | 27% | 0.273 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -26.2 | 177.7 | -80.8 | 54.5 | 0 | 0 | 0 | 114.6 | N60 N406 | N58-N60 VanDerWaalsContact C-N 3.26Å; N58-N406 WeakPolarHBondContact ND2-CB 3.42Å; N58-N406 PolarHBondContact ND2-ND2 3.41Å; N58-N406 PolarHBondContact OD1-ND2 2.84Å |
| 59 | N | 77.7 | Confident | 85.1 | Confident | 95 Ų | 95 | 62.9 Ų | 62.9 | 51% | 0.508 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | 12.1 | 177.4 | -67 | -35.4 | 0 | 0 | 0 | 111.5 | D57 V61 N421 | D57-N59 PolarHBondContact O-N 3.29Å; D57-N59 WeakPolarHBondContact OD1-CA 3.44Å; D57-N59 WeakPolarHBondContact OD1-CB 3.29Å; D57-N59 PolarHBondContact OD1-N 3.49Å; N59-V61 HydrophobicContact CB-CG2 4.15Å; N59-V61 PolarHBondContact O-N 3.2Å; N59-N421 PolarHBondContact ND2-OD1 2.88Å |
| 60 | N | 81 | Confident | 85.3 | Confident | 112 Ų | 112 | 62.9 Ų | 62.9 | 60% | 0.599 | 33% | 0.33 | S | S | * | . | trans | 58.5 | 21.5 | -173.1 | -63 | -47.5 | 0 | 0 | 0 | 114.1 | D57 N58 | D57-N60 PolarHBondContact O-N 2.76Å; D57-N60 PolarHBondContact OD1-N 3.39Å; D57-N60 VanDerWaalsContact OD1-N 3.14Å; N58-N60 VanDerWaalsContact C-N 3.26Å | ||
| 61 | V | 84.9 | Confident | 85.7 | Confident | 73 Ų | 73 | 60.4 Ų | 60.4 | 44% | 0.442 | 31% | 0.31 | S | S | . | . | trans | -78.1 | 130.4 | 171.8 | -178.8 | 0 | 0 | 0 | 0 | 108.3 | R56 D57 N59 H63 | R56-V61 WeakPolarHBondContact CA-O 3.45Å; D57-V61 PolarHBondContact N-O 2.89Å; D57-V61 WeakPolarHBondContact OD1-CB 3.35Å; D57-V61 PolarHBondContact OD1-N 2.83Å; D57-V61 WeakPolarHBondContact OD2-CB 3.39Å; N59-V61 HydrophobicContact CB-CG2 4.15Å; N59-V61 PolarHBondContact O-N 3.2Å; V61-H63 PolarHBondContact O-CD2 2.83Å; V61-H63 VanDerWaalsContact O-CD2 3.29Å | ||
| 62 | V | 86.2 | Confident | 86 | Confident | 81 Ų | 81 | 54.8 Ų | 54.8 | 49% | 0.491 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 123.6 | 179.7 | -176.8 | 0 | 0 | 0 | 0 | 109.1 | T54 R56 | T54-V62 HydrophobicContact CG2-CG1 4.08Å; R56-V62 HydrophobicContact CG-CG2 4.01Å |
| 63 | H | 84.7 | Confident | 85.7 | Confident | 57 Ų | 57 | 54.9 Ų | 54.9 | 26% | 0.264 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 140.7 | 174.4 | -62.8 | -85.8 | 0 | 0 | 0 | 109.5 | T54 F55 D57 V61 Q531 | T54-H63 CarbonylContact C-O 3.53Å; T54-H63 WeakPolarHBondContact CA-O 2.74Å; F55-H63 HydrophobicContact CD1-CB 4.37Å; F55-H63 HydrophobicContact CE1-CB 4.18Å; F55-H63 PolarHBondContact N-O 2.93Å; F55-H63 PolarHBondContact O-N 3.29Å; D57-H63 IonicContact OD2-CD2 3.71Å; D57-H63 IonicContact OD2-CE1 3.21Å; D57-H63 IonicContact OD2-NE2 3.78Å; D57-H63 PolarHBondContact OD2-NE2 3.25Å; V61-H63 PolarHBondContact O-CD2 2.83Å; V61-H63 VanDerWaalsContact O-CD2 3.29Å; H63-Q531 PolarHBondContact CD2-NE2 3.4Å; H63-Q531 VanDerWaalsContact CD2-NE2 3.28Å |
| 64 | S | 88.3 | Confident | 85.3 | Confident | 68 Ų | 68 | 55.2 Ų | 55.2 | 48% | 0.476 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 130.2 | 175.6 | -175.2 | 0 | 0 | 0 | 0 | 110.4 | ||
| 65 | V | 88.2 | Confident | 84.8 | Confident | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.006 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 114.4 | 177.4 | -174.2 | 0 | 0 | 0 | 0 | 107.4 | V53 F55 L68 F529 Q530 | V53-V65 PolarHBondContact N-O 2.97Å; V53-V65 PolarHBondContact O-N 3.2Å; F55-V65 HydrophobicContact CD1-CG2 3.51Å; F55-V65 HydrophobicContact CE1-CG2 3.42Å; F55-V65 VanDerWaalsContact CE1-CG2 3.42Å; V65-L68 HydrophobicContact CG1-CB 3.99Å; V65-L68 HydrophobicContact CG1-CD1 4.06Å; V65-F529 WeakPolarHBondContact CG2-O 3.31Å; V65-Q530 HydrophobicContact CG1-CB 4.39Å; V65-Q530 HydrophobicContact CG1-CG 3.91Å |
| 66 | K | 87 | Confident | 84.1 | Confident | 131 Ų | 131 | 55.4 Ų | 55.4 | 57% | 0.57 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | 131.5 | -173.6 | -62.9 | -175.5 | 178.1 | 178.8 | 0 | 110.6 | D52 L68 Q530 | D52-K66 VanDerWaalsContact OD1-CA 3.27Å; D52-K66 WeakPolarHBondContact OD1-CA 3.26Å; K66-L68 VanDerWaalsContact C-N 3.3Å; K66-L68 PolarHBondContact O-N 3.21Å; K66-Q530 VanDerWaalsContact N-OE1 3.15Å; K66-Q530 PolarHBondContact O-NE2 3.47Å; K66-Q530 PolarHBondContact O-OE1 3.34Å |
| 67 | N | 83 | Confident | 83.2 | Confident | 80 Ų | 80 | 52.5 Ų | 52.5 | 43% | 0.428 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 43.9 | 51.2 | 177 | -58.1 | -42.7 | 0 | 0 | 0 | 113.6 | Q48 D52 Q69 | Q48-N67 HydrophobicContact CG-CB 4.41Å; D52-N67 PolarHBondContact OD1-N 3.21Å; N67-Q69 PolarHBondContact O-N 3.36Å |
| 68 | L | 90 | Very high | 82 | Confident | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | trans | -52.4 | 125.2 | -178.8 | 175.7 | 63.4 | 0 | 0 | 0 | 109.8 | P18 L49 V65 K66 L70 F529 | P18-L68 HydrophobicContact CG-CD1 4.21Å; L49-L68 HydrophobicContact CD1-CB 4.08Å; L49-L68 HydrophobicContact CD1-CD2 4.09Å; L49-L68 HydrophobicContact CD1-CG 4.39Å; L49-L68 HydrophobicContact CG-CB 4.47Å; L49-L68 PolarHBondContact N-O 3.36Å; V65-L68 HydrophobicContact CG1-CB 3.99Å; V65-L68 HydrophobicContact CG1-CD1 4.06Å; K66-L68 VanDerWaalsContact C-N 3.3Å; K66-L68 PolarHBondContact O-N 3.21Å; L68-L70 HydrophobicContact CD1-CD2 4.49Å; L68-L70 HydrophobicContact CD2-CD2 4.32Å; L68-L70 HydrophobicContact CG-CD2 4.24Å; L68-F529 HydrophobicContact CD1-CD1 4.37Å; L68-F529 HydrophobicContact CD1-CE1 4.32Å; L68-F529 HydrophobicContact CD2-CE1 4.15Å | ||
| 69 | Q | 89.4 | Confident | 80.6 | Confident | 26 Ų | 26 | 58.3 Ų | 58.3 | 12% | 0.121 | 32% | 0.322 | C | S | . | . | B | Isolated β-bridge | trans | -108.4 | 135.8 | 177.5 | -175.5 | 167.1 | 24.6 | 0 | 0 | 109.3 | F14 S17 P18 S47 Q48 N67 | F14-Q69 VanDerWaalsContact CD2-CD 3.48Å; S17-Q69 WeakPolarHBondContact CB-O 3.34Å; P18-Q69 WeakPolarHBondContact CD-O 3.5Å; S47-Q69 WeakPolarHBondContact O-CA 3.42Å; Q48-Q69 HydrophobicContact CB-CG 4.47Å; N67-Q69 PolarHBondContact O-N 3.36Å |
| 70 | L | 92.7 | Very high | 79.2 | Confident | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.005 | 32% | 0.318 | C | S | . | . | trans | -112.2 | 154.7 | 175.4 | -58.5 | -178.4 | 0 | 0 | 0 | 109.6 | P18 S47 L68 F72 V386 F389 S390 L394 | P18-L70 HydrophobicContact CB-CD2 3.83Å; P18-L70 HydrophobicContact CG-CD2 4.13Å; S47-L70 WeakPolarHBondContact CB-O 3.48Å; S47-L70 PolarHBondContact O-N 3.03Å; L68-L70 HydrophobicContact CD1-CD2 4.49Å; L68-L70 HydrophobicContact CD2-CD2 4.32Å; L68-L70 HydrophobicContact CG-CD2 4.24Å; L70-F72 HydrophobicContact CB-CE2 4.17Å; L70-F72 HydrophobicContact CB-CZ 4.11Å; L70-F72 HydrophobicContact CD1-CZ 4.04Å; L70-V386 HydrophobicContact CD1-CG1 4.48Å; L70-F389 HydrophobicContact CD1-CD1 4.2Å; L70-F389 HydrophobicContact CD1-CE1 4.09Å; L70-S390 WeakPolarHBondContact CD1-OG 3.32Å; L70-L394 HydrophobicContact CD1-CD2 4.16Å; L70-L394 HydrophobicContact CD2-CD2 3.68Å | ||
| 71 | K | 89 | Confident | 77.6 | Confident | 23 Ų | 23 | 54.6 Ų | 54.6 | 10% | 0.1 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 124.7 | 168.5 | -81.1 | 170 | -177.7 | 172.5 | 0 | 109.8 | F14 V15 S17 P18 C19 V20 F73 | F14-K71 WeakPolarHBondContact O-CE 3.04Å; F14-K71 PolarHBondContact O-NZ 3.29Å; V15-K71 VanDerWaalsContact C-NZ 3.35Å; V15-K71 PolarHBondContact O-NZ 3.46Å; S17-K71 WeakPolarHBondContact OG-CD 3.33Å; S17-K71 WeakPolarHBondContact OG-CE 3.47Å; S17-K71 WeakPolarHBondContact OG-CG 3.18Å; P18-K71 PolarHBondContact O-N 2.71Å; C19-K71 CarbonylContact C-O 3.58Å; V20-K71 PolarHBondContact N-O 3.15Å; K71-F73 HydrophobicContact CB-CD2 4.17Å; K71-F73 HydrophobicContact CB-CE2 3.38Å; K71-F73 HydrophobicContact CB-CZ 3.76Å; K71-F73 HydrophobicContact CD-CE2 4.12Å; K71-F73 HydrophobicContact CD-CZ 3.83Å; K71-F73 HydrophobicContact CG-CE2 4.29Å; K71-F73 HydrophobicContact CG-CZ 4.21Å |
| 72 | F | 90 | Very high | 75.9 | Confident | 12 Ų | 12 | 57 Ų | 57 | 5% | 0.053 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 133.5 | 174 | -59.3 | -75 | 0 | 0 | 0 | 109.1 | V20 L22 E40 L43 L70 I149 V386 | V20-F72 HydrophobicContact CB-CD1 3.86Å; V20-F72 HydrophobicContact CB-CE1 4.03Å; V20-F72 HydrophobicContact CG1-CD1 3.96Å; V20-F72 HydrophobicContact CG1-CE1 4.01Å; V20-F72 HydrophobicContact CG2-CE1 4.39Å; V20-F72 WeakPolarHBondContact O-CA 3.37Å; L22-F72 HydrophobicContact CD1-CB 3.93Å; L22-F72 HydrophobicContact CD2-CB 4.48Å; L22-F72 HydrophobicContact CD2-CD1 3.99Å; L22-F72 HydrophobicContact CG-CB 4.22Å; E40-F72 HydrophobicContact CG-CB 4.43Å; E40-F72 WeakPolarHBondContact CG-O 3.24Å; L43-F72 HydrophobicContact CB-CD2 3.93Å; L43-F72 HydrophobicContact CB-CE2 4.3Å; L43-F72 HydrophobicContact CB-CG 4.41Å; L43-F72 HydrophobicContact CD1-CD1 4.15Å; L43-F72 HydrophobicContact CD1-CD2 4.25Å; L43-F72 HydrophobicContact CD1-CE1 4.4Å; L43-F72 HydrophobicContact CD1-CE2 4.49Å; L43-F72 HydrophobicContact CD1-CG 4.07Å; L70-F72 HydrophobicContact CB-CE2 4.17Å; L70-F72 HydrophobicContact CB-CZ 4.11Å; L70-F72 HydrophobicContact CD1-CZ 4.04Å; F72-I149 HydrophobicContact CD1-CD1 4.28Å; F72-I149 HydrophobicContact CE1-CD1 3.84Å; F72-V386 HydrophobicContact CE2-CG1 4.27Å; F72-V386 HydrophobicContact CE2-CG2 4.46Å; F72-V386 HydrophobicContact CZ-CG1 4.01Å; F72-V386 HydrophobicContact CZ-CG2 4.37Å |
| 73 | F | 82.1 | Confident | 74.2 | Confident | 83 Ų | 83 | 60.3 Ų | 60.3 | 36% | 0.364 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 128.1 | 177.7 | -60.4 | -80.6 | 0 | 0 | 0 | 109.6 | C19 V20 G21 L22 K71 I75 | C19-F73 HydrophobicContact CB-CD2 4.31Å; C19-F73 HydrophobicContact CB-CE2 4.04Å; V20-F73 PolarHBondContact O-N 3.44Å; G21-F73 CarbonylContact C-O 3.49Å; L22-F73 PolarHBondContact N-O 2.79Å; K71-F73 HydrophobicContact CB-CD2 4.17Å; K71-F73 HydrophobicContact CB-CE2 3.38Å; K71-F73 HydrophobicContact CB-CZ 3.76Å; K71-F73 HydrophobicContact CD-CE2 4.12Å; K71-F73 HydrophobicContact CD-CZ 3.83Å; K71-F73 HydrophobicContact CG-CE2 4.29Å; K71-F73 HydrophobicContact CG-CZ 4.21Å; F73-I75 PolarHBondContact O-N 3.45Å |
| 74 | D | 82.3 | Confident | 72.2 | Confident | 15 Ų | 15 | 61.6 Ų | 61.6 | 8% | 0.08 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 116.2 | 167.3 | 179.7 | 7.3 | 0 | 0 | 0 | 110.4 | E40 S76 S77 | E40-D74 PolarHBondContact OE2-N 3.43Å; D74-S76 PolarHBondContact O-N 2.8Å; D74-S76 WeakPolarHBondContact OD1-CB 3.48Å; D74-S76 PolarHBondContact OD1-N 3.1Å; D74-S76 PolarHBondContact OD1-OG 2.99Å; D74-S76 PolarHBondContact OD2-OG 3.25Å; D74-S77 PolarHBondContact O-N 2.77Å; D74-S77 PolarHBondContact OD2-OG 3.26Å |
| 75 | I | 78.3 | Confident | 70.5 | Confident | 9 Ų | 9 | 59.9 Ų | 59.9 | 5% | 0.046 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -63.8 | -32.3 | -179.8 | -72.4 | 160.5 | 0 | 0 | 0 | 110.9 | L22 L23 F73 S77 C78 Q173 P182 W184 | L22-I75 WeakPolarHBondContact O-CB 3.45Å; L22-I75 PolarHBondContact O-N 3.05Å; L23-I75 HydrophobicContact CD1-CD1 4.34Å; L23-I75 HydrophobicContact CD2-CB 3.89Å; L23-I75 HydrophobicContact CD2-CD1 4.41Å; L23-I75 HydrophobicContact CD2-CG2 3.92Å; L23-I75 HydrophobicContact CG-CB 4.25Å; L23-I75 HydrophobicContact CG-CD1 3.86Å; F73-I75 PolarHBondContact O-N 3.45Å; I75-S77 VanDerWaalsContact C-N 3.3Å; I75-S77 PolarHBondContact O-N 3.24Å; I75-C78 WeakPolarHBondContact O-CB 3.36Å; I75-Q173 VanDerWaalsContact CG2-OE1 3.3Å; I75-P182 HydrophobicContact CG1-CB 4.3Å; I75-P182 HydrophobicContact CG1-CG 4.4Å; I75-P182 HydrophobicContact CG2-CB 4.31Å; I75-P182 HydrophobicContact CG2-CG 3.68Å; I75-W184 HydrophobicContact CD1-CH2 3.42Å; I75-W184 VanDerWaalsContact CD1-CH2 3.42Å; I75-W184 HydrophobicContact CD1-CZ2 3.82Å; I75-W184 HydrophobicContact CD1-CZ3 4.42Å |
| 76 | S | 71.2 | Confident | 69.1 | Low | 78 Ų | 78 | 64.4 Ų | 64.4 | 55% | 0.545 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -25.1 | -179.9 | 71.7 | 0 | 0 | 0 | 0 | 112.7 | D74 C78 | D74-S76 PolarHBondContact O-N 2.8Å; D74-S76 WeakPolarHBondContact OD1-CB 3.48Å; D74-S76 PolarHBondContact OD1-N 3.1Å; D74-S76 PolarHBondContact OD1-OG 2.99Å; D74-S76 PolarHBondContact OD2-OG 3.25Å; S76-C78 VanDerWaalsContact C-N 3.31Å; S76-C78 PolarHBondContact O-N 3.16Å |
| 77 | S | 65.7 | Low | 67.7 | Low | 81 Ų | 81 | 61.5 Ų | 61.5 | 57% | 0.566 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | 0.1 | -179.7 | -68.5 | 0 | 0 | 0 | 0 | 114.3 | D74 I75 L79 | D74-S77 PolarHBondContact O-N 2.77Å; D74-S77 PolarHBondContact OD2-OG 3.26Å; I75-S77 VanDerWaalsContact C-N 3.3Å; I75-S77 PolarHBondContact O-N 3.24Å; S77-L79 PolarHBondContact O-N 2.95Å |
| 78 | C | 54.1 | Low | 66.4 | Low | 42 Ų | 42 | 63.8 Ų | 63.8 | 28% | 0.284 | 34% | 0.34 | S | S | . | . | trans | -76.6 | 14.7 | -161.3 | -138.1 | 0 | 0 | 0 | 0 | 117.2 | I75 S76 S80 R181 | I75-C78 WeakPolarHBondContact O-CB 3.36Å; S76-C78 VanDerWaalsContact C-N 3.31Å; S76-C78 PolarHBondContact O-N 3.16Å; C78-S80 PolarHBondContact O-N 2.84Å; C78-R181 HydrophobicContact CB-CB 4.5Å; C78-R181 VanDerWaalsContact SG-CD 3.51Å | ||
| 79 | L | 46.6 | Very low | 65.2 | Low | 156 Ų | 156 | 64.6 Ų | 64.6 | 82% | 0.817 | 34% | 0.344 | S | S | * | . | trans | -95.8 | 79.4 | -179.7 | -64.6 | 168.8 | 0 | 0 | 0 | 110.8 | S77 P81 | S77-L79 PolarHBondContact O-N 2.95Å; L79-P81 WeakPolarHBondContact O-CD 3.49Å | ||
| 80 | S | 49.1 | Very low | 64.1 | Low | 59 Ų | 59 | 68.1 Ų | 68.1 | 41% | 0.413 | 36% | 0.357 | S | S | . | . | trans | -102.5 | 106 | 164.7 | 56.7 | 0 | 0 | 0 | 0 | 110.7 | C78 K82 | C78-S80 PolarHBondContact O-N 2.84Å; S80-K82 PolarHBondContact O-N 3.27Å | ||
| 81 | P | 46.8 | Very low | 62.8 | Low | 69 Ų | 69 | 70.4 Ų | 70.4 | 45% | 0.448 | 37% | 0.366 | S | S | . | . | trans | -57 | 137 | 165.3 | -19.9 | 29 | 0 | 0 | 0 | 110.1 | L79 H83 I84 | L79-P81 WeakPolarHBondContact O-CD 3.49Å; P81-H83 PolarHBondContact O-N 3.19Å; P81-I84 HydrophobicContact CB-CG1 4.26Å; P81-I84 HydrophobicContact CG-CD1 3.93Å; P81-I84 HydrophobicContact CG-CG1 4.19Å; P81-I84 PolarHBondContact O-N 3.23Å | ||
| 82 | K | 49.2 | Very low | 61.4 | Low | 125 Ų | 125 | 70.3 Ų | 70.3 | 54% | 0.543 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -49.6 | -27.4 | 177.2 | -69 | -166.9 | 173 | -156.2 | 0 | 114 | S80 T85 E597 | S80-K82 PolarHBondContact O-N 3.27Å; K82-T85 PolarHBondContact O-OG1 2.91Å; K82-E597 IonicContact NZ-OE1 2.72Å; K82-E597 PolarHBondContact NZ-OE1 2.98Å; K82-E597 VanDerWaalsContact NZ-OE1 3.09Å; K82-E597 IonicContact NZ-OE2 2.79Å |
| 83 | H | 49.6 | Very low | 60.3 | Low | 149 Ų | 149 | 69.8 Ų | 69.8 | 69% | 0.69 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -72.5 | -32.2 | 177.8 | -74.1 | -73.2 | 0 | 0 | 0 | 113.7 | P81 S87 | P81-H83 PolarHBondContact O-N 3.19Å; H83-S87 PolarHBondContact O-N 3.47Å; H83-S87 PolarHBondContact O-OG 3.41Å |
| 84 | I | 43.3 | Very low | 59.6 | Low | 84 Ų | 84 | 67.7 Ų | 67.7 | 43% | 0.431 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -69.4 | -41.4 | 179.9 | -60.4 | -170.6 | 0 | 0 | 0 | 109.7 | P81 Q86 S87 W88 | P81-I84 HydrophobicContact CB-CG1 4.26Å; P81-I84 HydrophobicContact CG-CD1 3.93Å; P81-I84 HydrophobicContact CG-CG1 4.19Å; P81-I84 PolarHBondContact O-N 3.23Å; I84-Q86 PolarHBondContact O-N 3.42Å; I84-S87 PolarHBondContact O-N 2.92Å; I84-W88 HydrophobicContact CG2-CG 4.37Å; I84-W88 WeakPolarHBondContact O-CB 3.34Å; I84-W88 PolarHBondContact O-N 3.18Å |
| 85 | T | 52.9 | Low | 58.4 | Low | 32 Ų | 32 | 70.5 Ų | 70.5 | 20% | 0.196 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -61.7 | -39.7 | 179.6 | 38.8 | 0 | 0 | 0 | 0 | 112.4 | K82 W88 V89 N133 | K82-T85 PolarHBondContact O-OG1 2.91Å; T85-W88 PolarHBondContact O-N 2.84Å; T85-V89 WeakPolarHBondContact O-CB 3.12Å; T85-V89 WeakPolarHBondContact O-CG2 3.47Å; T85-V89 PolarHBondContact O-N 3.2Å; T85-N133 HydrophobicContact CG2-CB 3.96Å |
| 86 | Q | 59.5 | Low | 57.5 | Low | 96 Ų | 96 | 70.1 Ų | 70.1 | 45% | 0.449 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -64.8 | -41.7 | 176.7 | -69.9 | -172.2 | -4.8 | 0 | 0 | 113.4 | I84 V89 R90 | I84-Q86 PolarHBondContact O-N 3.42Å; Q86-V89 PolarHBondContact O-N 3.15Å; Q86-R90 WeakPolarHBondContact O-CG 3.4Å; Q86-R90 PolarHBondContact O-N 3.29Å |
| 87 | S | 57.9 | Low | 57.1 | Low | 70 Ų | 70 | 66.8 Ų | 66.8 | 49% | 0.49 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -66.3 | -43.9 | 178.2 | -63.5 | 0 | 0 | 0 | 0 | 111.3 | H83 I84 R90 Y91 | H83-S87 PolarHBondContact O-N 3.47Å; H83-S87 PolarHBondContact O-OG 3.41Å; I84-S87 PolarHBondContact O-N 2.92Å; S87-R90 PolarHBondContact O-N 3.45Å; S87-Y91 WeakPolarHBondContact O-CB 3.24Å; S87-Y91 PolarHBondContact O-N 3.33Å |
| 88 | W | 54.4 | Low | 56.6 | Low | 129 Ų | 129 | 66.5 Ų | 66.5 | 49% | 0.489 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61 | -44.5 | 174.3 | -85.4 | 58.5 | 0 | 0 | 0 | 111.7 | I84 T85 Y91 F92 | I84-W88 HydrophobicContact CG2-CG 4.37Å; I84-W88 WeakPolarHBondContact O-CB 3.34Å; I84-W88 PolarHBondContact O-N 3.18Å; T85-W88 PolarHBondContact O-N 2.84Å; W88-Y91 WeakPolarHBondContact O-CB 3.48Å; W88-Y91 PolarHBondContact O-N 3.29Å; W88-F92 HydrophobicContact CD2-CE2 4.48Å; W88-F92 HydrophobicContact CE3-CD2 4.39Å; W88-F92 AromaticContact CE3-CE2 3.55Å; W88-F92 HydrophobicContact CE3-CE2 3.55Å; W88-F92 HydrophobicContact CE3-CZ 4.43Å; W88-F92 AromaticContact CZ3-CE2 3.88Å; W88-F92 HydrophobicContact CZ3-CE2 3.88Å; W88-F92 HydrophobicContact CZ3-CZ 4.33Å; W88-F92 VanDerWaalsContact O-CD2 3.28Å; W88-F92 WeakPolarHBondContact O-CD2 3.06Å; W88-F92 PolarHBondContact O-N 2.89Å |
| 89 | V | 64.6 | Low | 56.6 | Low | 17 Ų | 17 | 66.1 Ų | 66.1 | 10% | 0.103 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -60.7 | -48.3 | 177.7 | 164.7 | 0 | 0 | 0 | 0 | 111.7 | T85 Q86 Y91 F92 V93 W126 L129 | T85-V89 WeakPolarHBondContact O-CB 3.12Å; T85-V89 WeakPolarHBondContact O-CG2 3.47Å; T85-V89 PolarHBondContact O-N 3.2Å; Q86-V89 PolarHBondContact O-N 3.15Å; V89-Y91 PolarHBondContact O-N 2.96Å; V89-F92 PolarHBondContact O-N 3.49Å; V89-V93 WeakPolarHBondContact O-CB 3.38Å; V89-V93 WeakPolarHBondContact O-CG2 3.47Å; V89-V93 PolarHBondContact O-N 3.22Å; V89-W126 HydrophobicContact CG1-CG 4.35Å; V89-L129 HydrophobicContact CG2-CB 4.17Å |
| 90 | R | 67.8 | Low | 57 | Low | 101 Ų | 101 | 66.3 Ų | 66.3 | 38% | 0.381 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -57.6 | -39.8 | 175.3 | -78.9 | -178.8 | -167.9 | 114.2 | 2.7 | 111.7 | Q86 S87 N94 L633 | Q86-R90 WeakPolarHBondContact O-CG 3.4Å; Q86-R90 PolarHBondContact O-N 3.29Å; S87-R90 PolarHBondContact O-N 3.45Å; R90-N94 PolarHBondContact O-N 2.91Å; R90-N94 VanDerWaalsContact O-N 3.14Å; R90-L633 HydrophobicContact CG-CD2 3.65Å |
| 91 | Y | 63.8 | Low | 57.1 | Low | 48 Ų | 48 | 67.1 Ų | 67.1 | 19% | 0.188 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -67.2 | -51.2 | 179.5 | 171.9 | -101.9 | 0 | 0 | 0 | 112.6 | S87 W88 V89 V93 N94 M95 F361 L362 | S87-Y91 WeakPolarHBondContact O-CB 3.24Å; S87-Y91 PolarHBondContact O-N 3.33Å; W88-Y91 WeakPolarHBondContact O-CB 3.48Å; W88-Y91 PolarHBondContact O-N 3.29Å; V89-Y91 PolarHBondContact O-N 2.96Å; Y91-V93 VanDerWaalsContact C-N 3.3Å; Y91-V93 PolarHBondContact O-N 2.94Å; Y91-N94 WeakPolarHBondContact O-CB 3.41Å; Y91-N94 PolarHBondContact O-N 3.24Å; Y91-M95 HydrophobicContact CD1-CG 4.37Å; Y91-M95 HydrophobicContact CD2-CG 4.24Å; Y91-M95 HydrophobicContact CE1-CG 3.78Å; Y91-M95 HydrophobicContact CE2-CE 4.14Å; Y91-M95 HydrophobicContact CE2-CG 3.58Å; Y91-M95 HydrophobicContact CE2-SD 3.9Å; Y91-M95 PolarHBondContact O-N 2.93Å; Y91-M95 WeakPolarHBondContact OH-CG 3.5Å; Y91-M95 PolarHBondContact OH-SD 2.94Å; Y91-M95 VanDerWaalsContact OH-SD 3.37Å; Y91-F361 HydrophobicContact CD2-CB 4.12Å; Y91-F361 HydrophobicContact CD2-CD2 4.43Å; Y91-F361 HydrophobicContact CD2-CG 4.44Å; Y91-F361 HydrophobicContact CE1-CB 4.02Å; Y91-F361 HydrophobicContact CE2-CB 3.35Å; Y91-F361 AromaticContact CE2-CD2 3.83Å; Y91-F361 HydrophobicContact CE2-CD2 3.83Å; Y91-F361 AromaticContact CE2-CG 3.9Å; Y91-F361 HydrophobicContact CE2-CG 3.9Å; Y91-F361 WeakPolarHBondContact OH-CB 3.24Å; Y91-L362 PolarHBondContact OH-N 3.48Å |
| 92 | F | 61.1 | Low | 57.8 | Low | 22 Ų | 22 | 65.1 Ų | 65.1 | 10% | 0.096 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60 | -41.5 | 177.8 | -88.2 | -73 | 0 | 0 | 0 | 111.9 | W88 V89 N94 M95 C96 L129 P288 | W88-F92 HydrophobicContact CD2-CE2 4.48Å; W88-F92 HydrophobicContact CE3-CD2 4.39Å; W88-F92 AromaticContact CE3-CE2 3.55Å; W88-F92 HydrophobicContact CE3-CE2 3.55Å; W88-F92 HydrophobicContact CE3-CZ 4.43Å; W88-F92 AromaticContact CZ3-CE2 3.88Å; W88-F92 HydrophobicContact CZ3-CE2 3.88Å; W88-F92 HydrophobicContact CZ3-CZ 4.33Å; W88-F92 VanDerWaalsContact O-CD2 3.28Å; W88-F92 WeakPolarHBondContact O-CD2 3.06Å; W88-F92 PolarHBondContact O-N 2.89Å; V89-F92 PolarHBondContact O-N 3.49Å; F92-N94 VanDerWaalsContact C-N 3.28Å; F92-N94 PolarHBondContact O-N 3.16Å; F92-M95 PolarHBondContact O-N 3.42Å; F92-C96 WeakPolarHBondContact O-CB 3.36Å; F92-C96 PolarHBondContact O-N 3.37Å; F92-C96 PolarHBondContact O-SG 2.7Å; F92-C96 VanDerWaalsContact O-SG 3.33Å; F92-L129 HydrophobicContact CB-CD1 4.15Å; F92-L129 HydrophobicContact CD2-CD1 3.88Å; F92-L129 HydrophobicContact CG-CD1 4.05Å; F92-P288 HydrophobicContact CD1-CG 4.18Å; F92-P288 HydrophobicContact CE1-CG 3.93Å; F92-P288 HydrophobicContact CZ-CG 4.19Å |
| 93 | V | 66.4 | Low | 58.3 | Low | 1 Ų | 1 | 68.5 Ų | 68.5 | 1% | 0.006 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -57.3 | -45.4 | 174.6 | 167 | 0 | 0 | 0 | 0 | 110.4 | V89 Y91 S97 W122 W126 L676 | V89-V93 WeakPolarHBondContact O-CB 3.38Å; V89-V93 WeakPolarHBondContact O-CG2 3.47Å; V89-V93 PolarHBondContact O-N 3.22Å; Y91-V93 VanDerWaalsContact C-N 3.3Å; Y91-V93 PolarHBondContact O-N 2.94Å; V93-S97 WeakPolarHBondContact O-CB 3.41Å; V93-S97 PolarHBondContact O-N 2.96Å; V93-S97 PolarHBondContact O-OG 3.01Å; V93-W122 HydrophobicContact CB-CB 4.37Å; V93-W122 HydrophobicContact CG1-CB 4.12Å; V93-W122 HydrophobicContact CG2-CB 4.48Å; V93-W122 WeakPolarHBondContact O-CB 3.29Å; V93-W126 HydrophobicContact CG2-CB 3.87Å; V93-W126 HydrophobicContact CG2-CG 4.5Å; V93-L676 HydrophobicContact CG1-CD1 3.37Å |
| 94 | N | 66.8 | Low | 59.3 | Low | 39 Ų | 39 | 64.2 Ų | 64.2 | 21% | 0.209 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -66.5 | -43.1 | 179.3 | -163 | 35.2 | 0 | 0 | 0 | 112.9 | R90 Y91 F92 S97 I675 | R90-N94 PolarHBondContact O-N 2.91Å; R90-N94 VanDerWaalsContact O-N 3.14Å; Y91-N94 WeakPolarHBondContact O-CB 3.41Å; Y91-N94 PolarHBondContact O-N 3.24Å; F92-N94 VanDerWaalsContact C-N 3.28Å; F92-N94 PolarHBondContact O-N 3.16Å; N94-S97 WeakPolarHBondContact O-CB 3.32Å; N94-S97 PolarHBondContact O-N 3.43Å; N94-I675 WeakPolarHBondContact OD1-CD1 3.34Å |
| 95 | M | 58.2 | Low | 60.8 | Low | 73 Ų | 73 | 64.2 Ų | 64.2 | 36% | 0.36 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.6 | -42.9 | 177.2 | -70.5 | -66.5 | 95.2 | 0 | 0 | 112.9 | Y91 F92 S97 T98 | Y91-M95 HydrophobicContact CD1-CG 4.37Å; Y91-M95 HydrophobicContact CD2-CG 4.24Å; Y91-M95 HydrophobicContact CE1-CG 3.78Å; Y91-M95 HydrophobicContact CE2-CE 4.14Å; Y91-M95 HydrophobicContact CE2-CG 3.58Å; Y91-M95 HydrophobicContact CE2-SD 3.9Å; Y91-M95 PolarHBondContact O-N 2.93Å; Y91-M95 WeakPolarHBondContact OH-CG 3.5Å; Y91-M95 PolarHBondContact OH-SD 2.94Å; Y91-M95 VanDerWaalsContact OH-SD 3.37Å; F92-M95 PolarHBondContact O-N 3.42Å; M95-S97 PolarHBondContact O-N 3.45Å; M95-T98 PolarHBondContact O-OG1 2.95Å |
| 96 | C | 58.9 | Low | 61.8 | Low | 2 Ų | 2 | 69.4 Ų | 69.4 | 1% | 0.014 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -71 | -16.1 | 177.3 | -65.8 | 0 | 0 | 0 | 0 | 112.7 | F92 P121 W122 Y291 | F92-C96 WeakPolarHBondContact O-CB 3.36Å; F92-C96 PolarHBondContact O-N 3.37Å; F92-C96 PolarHBondContact O-SG 2.7Å; F92-C96 VanDerWaalsContact O-SG 3.33Å; C96-P121 HydrophobicContact CB-CB 4.42Å; C96-W122 HydrophobicContact CB-CB 3.79Å; C96-Y291 HydrophobicContact CB-CD2 4.43Å; C96-Y291 HydrophobicContact CB-CE2 3.89Å; C96-Y291 VanDerWaalsContact SG-CE2 3.54Å |
| 97 | S | 62.5 | Low | 62.5 | Low | 8 Ų | 8 | 66.4 Ų | 66.4 | 6% | 0.056 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -84 | -17.6 | -178.2 | -62.1 | 0 | 0 | 0 | 0 | 114.1 | V93 N94 M95 D99 L676 | V93-S97 WeakPolarHBondContact O-CB 3.41Å; V93-S97 PolarHBondContact O-N 2.96Å; V93-S97 PolarHBondContact O-OG 3.01Å; N94-S97 WeakPolarHBondContact O-CB 3.32Å; N94-S97 PolarHBondContact O-N 3.43Å; M95-S97 PolarHBondContact O-N 3.45Å; S97-D99 VanDerWaalsContact C-N 3.28Å; S97-L676 WeakPolarHBondContact OG-CD2 3.45Å; S97-L676 WeakPolarHBondContact OG-CG 3.36Å |
| 98 | T | 56.5 | Low | 62.9 | Low | 75 Ų | 75 | 67.2 Ų | 67.2 | 46% | 0.46 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -5.6 | 178.4 | 50.9 | 0 | 0 | 0 | 0 | 113.4 | M95 N100 I675 | M95-T98 PolarHBondContact O-OG1 2.95Å; T98-N100 PolarHBondContact O-N 3.04Å; T98-I675 HydrophobicContact CG2-CD1 3.84Å; T98-I675 HydrophobicContact CG2-CG2 4.2Å |
| 99 | D | 54.1 | Low | 63.1 | Low | 33 Ų | 33 | 66.3 Ų | 66.3 | 18% | 0.176 | 33% | 0.334 | C | S | . | . | trans | -78.3 | 117.8 | -177.8 | -167.9 | -4.6 | 0 | 0 | 0 | 112 | S97 T101 | S97-D99 VanDerWaalsContact C-N 3.28Å; D99-T101 VanDerWaalsContact OD1-CB 3.28Å; D99-T101 WeakPolarHBondContact OD1-CB 3.35Å; D99-T101 VanDerWaalsContact OD1-CG2 3.22Å; D99-T101 WeakPolarHBondContact OD1-CG2 3.42Å; D99-T101 PolarHBondContact OD1-N 2.99Å; D99-T101 PolarHBondContact OD1-OG1 3.17Å; D99-T101 PolarHBondContact OD2-OG1 3.16Å; D99-T101 VanDerWaalsContact OD2-OG1 3.07Å | ||
| 100 | N | 53.5 | Low | 63 | Low | 160 Ų | 160 | 69.5 Ų | 69.5 | 86% | 0.856 | 37% | 0.37 | S | S | * | . | trans | -93.3 | -0.7 | 178.4 | -74.5 | -27.4 | 0 | 0 | 0 | 113.3 | T98 V102 | T98-N100 PolarHBondContact O-N 3.04Å; N100-V102 PolarHBondContact O-N 2.95Å | ||
| 101 | T | 52.5 | Low | 62.5 | Low | 76 Ų | 76 | 70.2 Ų | 70.2 | 47% | 0.466 | 39% | 0.39 | S | S | . | . | trans | -76.3 | 0.4 | -174.4 | 64.7 | 0 | 0 | 0 | 0 | 113.9 | D99 R103 Q294 | D99-T101 VanDerWaalsContact OD1-CB 3.28Å; D99-T101 WeakPolarHBondContact OD1-CB 3.35Å; D99-T101 VanDerWaalsContact OD1-CG2 3.22Å; D99-T101 WeakPolarHBondContact OD1-CG2 3.42Å; D99-T101 PolarHBondContact OD1-N 2.99Å; D99-T101 PolarHBondContact OD1-OG1 3.17Å; D99-T101 PolarHBondContact OD2-OG1 3.16Å; D99-T101 VanDerWaalsContact OD2-OG1 3.07Å; T101-R103 PolarHBondContact O-N 2.74Å; T101-Q294 HydrophobicContact CG2-CB 4.41Å | ||
| 102 | V | 60.1 | Low | 62.3 | Low | 27 Ų | 27 | 72.1 Ų | 72.1 | 16% | 0.164 | 40% | 0.397 | C | S | . | . | trans | -72 | 125.4 | -173.4 | 176.5 | 0 | 0 | 0 | 0 | 112.7 | N100 S104 P117 S119 P121 | N100-V102 PolarHBondContact O-N 2.95Å; V102-S104 PolarHBondContact O-N 3.46Å; V102-S104 PolarHBondContact O-OG 3.34Å; V102-P117 HydrophobicContact CG1-CB 3.86Å; V102-S119 WeakPolarHBondContact CG1-O 3.17Å; V102-S119 WeakPolarHBondContact CG1-OG 3.21Å; V102-P121 HydrophobicContact CG2-CG 4.45Å | ||
| 103 | R | 60 | Low | 62.6 | Low | 197 Ų | 197 | 73.3 Ų | 73.3 | 74% | 0.743 | 41% | 0.408 | S | S | * | . | trans | -55.1 | 132 | 171.8 | -176 | 178.8 | -177.2 | 179.2 | 3.6 | 110.5 | T101 T118 | T101-R103 PolarHBondContact O-N 2.74Å; R103-T118 WeakPolarHBondContact O-CB 3.29Å; R103-T118 PolarHBondContact O-N 3.34Å; R103-T118 PolarHBondContact O-OG1 3.15Å | ||
| 104 | S | 71.8 | Confident | 62.8 | Low | 58 Ų | 58 | 73.5 Ų | 73.5 | 41% | 0.406 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 151.6 | 178.8 | -61.8 | 0 | 0 | 0 | 0 | 112.5 | V102 V116 | V102-S104 PolarHBondContact O-N 3.46Å; V102-S104 PolarHBondContact O-OG 3.34Å; S104-V116 CarbonylContact C-O 3.56Å; S104-V116 WeakPolarHBondContact CA-O 3.43Å |
| 105 | Q | 73 | Confident | 63.2 | Low | 84 Ų | 84 | 75.9 Ų | 75.9 | 39% | 0.393 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 136.8 | 176.8 | 178.1 | 171.7 | -11.4 | 0 | 0 | 110 | F107 V116 T118 | Q105-F107 HydrophobicContact CB-CE2 4.05Å; Q105-F107 HydrophobicContact CG-CD2 4.35Å; Q105-F107 HydrophobicContact CG-CE2 3.8Å; Q105-F107 HydrophobicContact CG-CZ 4.02Å; Q105-V116 PolarHBondContact N-O 2.8Å; Q105-V116 PolarHBondContact O-N 3.29Å; Q105-T118 HydrophobicContact CB-CG2 3.52Å |
| 106 | K | 75.4 | Confident | 64.2 | Low | 141 Ų | 141 | 72.6 Ų | 72.6 | 61% | 0.613 | 41% | 0.409 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 125.1 | 178.8 | -164.3 | -179.6 | -178.7 | -177.7 | 0 | 109.5 | S113 V114 V115 | K106-S113 WeakPolarHBondContact CD-OG 3.46Å; K106-S113 WeakPolarHBondContact CE-OG 3.16Å; K106-S113 WeakPolarHBondContact CG-OG 3.41Å; K106-V114 CarbonylContact C-O 3.55Å; K106-V114 WeakPolarHBondContact CA-O 3.26Å; K106-V115 HydrophobicContact CG-CG2 4.46Å |
| 107 | F | 74.2 | Confident | 64.9 | Low | 33 Ų | 33 | 73.7 Ų | 73.7 | 15% | 0.145 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 127.7 | 172.2 | -67.4 | -91.7 | 0 | 0 | 0 | 108.7 | Q105 S113 V114 V116 L647 P652 L654 | Q105-F107 HydrophobicContact CB-CE2 4.05Å; Q105-F107 HydrophobicContact CG-CD2 4.35Å; Q105-F107 HydrophobicContact CG-CE2 3.8Å; Q105-F107 HydrophobicContact CG-CZ 4.02Å; F107-S113 CarbonylContact O-C 3.57Å; F107-S113 VanDerWaalsContact O-CA 3.28Å; F107-S113 WeakPolarHBondContact O-CA 3.27Å; F107-V114 PolarHBondContact N-O 2.8Å; F107-V114 PolarHBondContact O-N 2.91Å; F107-V116 HydrophobicContact CD2-CB 4.18Å; F107-V116 HydrophobicContact CD2-CG2 4.02Å; F107-V116 HydrophobicContact CE2-CB 4.1Å; F107-V116 HydrophobicContact CE2-CG2 4.37Å; F107-L647 HydrophobicContact CD2-CD1 4.44Å; F107-L647 HydrophobicContact CE1-CB 4.25Å; F107-L647 HydrophobicContact CE2-CD1 4.17Å; F107-L647 HydrophobicContact CZ-CB 4.18Å; F107-L647 HydrophobicContact CZ-CD1 4.44Å; F107-P652 HydrophobicContact CD1-CB 4.48Å; F107-L654 HydrophobicContact CB-CD2 4.07Å |
| 108 | C | 66.2 | Low | 65.2 | Low | 87 Ų | 87 | 74.2 Ų | 74.2 | 59% | 0.588 | 42% | 0.419 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 136 | 179.4 | -59.8 | 0 | 0 | 0 | 0 | 110.6 | R112 | C108-R112 CarbonylContact C-O 3.59Å; C108-R112 VanDerWaalsContact CA-O 3.22Å; C108-R112 WeakPolarHBondContact CA-O 3.43Å |
| 109 | D | 58.7 | Low | 66 | Low | 111 Ų | 111 | 72.3 Ų | 72.3 | 59% | 0.594 | 41% | 0.409 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 97 | 166.7 | -173.2 | 15.5 | 0 | 0 | 0 | 107.4 | S111 R112 L654 | D109-S111 PolarHBondContact O-N 2.75Å; D109-R112 PolarHBondContact N-O 3.31Å; D109-R112 PolarHBondContact O-N 3.02Å; D109-R112 VanDerWaalsContact O-N 3.12Å; D109-L654 HydrophobicContact CB-CD1 3.49Å; D109-L654 VanDerWaalsContact CB-CD1 3.49Å; D109-L654 HydrophobicContact CB-CG 4.41Å |
| 110 | G | 62.1 | Low | 67.2 | Low | 83 Ų | 83 | 70.7 Ų | 70.7 | 86% | 0.856 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.7 | -95.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 111 | S | 57.4 | Low | 68.1 | Low | 116 Ų | 116 | 64 Ų | 64 | 81% | 0.811 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | -11.7 | -174.2 | 61.5 | 0 | 0 | 0 | 0 | 115.2 | D109 | D109-S111 PolarHBondContact O-N 2.75Š|
| 112 | R | 60.2 | Low | 69.2 | Low | 89 Ų | 89 | 60.6 Ų | 60.6 | 34% | 0.336 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 151.2 | -172.9 | -66.2 | -177.1 | -175.4 | 155.8 | 3.2 | 112.7 | C108 D109 M689 G690 H691 | C108-R112 CarbonylContact C-O 3.59Å; C108-R112 VanDerWaalsContact CA-O 3.22Å; C108-R112 WeakPolarHBondContact CA-O 3.43Å; D109-R112 PolarHBondContact N-O 3.31Å; D109-R112 PolarHBondContact O-N 3.02Å; D109-R112 VanDerWaalsContact O-N 3.12Å; R112-M689 PolarHBondContact NH1-O 2.79Å; R112-G690 PolarHBondContact NH2-O 2.7Å; R112-H691 PolarHBondContact NH1-CE1 3.44Å; R112-H691 PolarHBondContact NH1-ND1 3.29Å; R112-H691 PolarHBondContact NH1-NE2 3.44Å |
| 113 | S | 65.9 | Low | 70.4 | Confident | 47 Ų | 47 | 59.4 Ų | 59.4 | 33% | 0.329 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 134.2 | -179.3 | 157.4 | 0 | 0 | 0 | 0 | 110.9 | K106 F107 | K106-S113 WeakPolarHBondContact CD-OG 3.46Å; K106-S113 WeakPolarHBondContact CE-OG 3.16Å; K106-S113 WeakPolarHBondContact CG-OG 3.41Å; F107-S113 CarbonylContact O-C 3.57Å; F107-S113 VanDerWaalsContact O-CA 3.28Å; F107-S113 WeakPolarHBondContact O-CA 3.27Å |
| 114 | V | 71.1 | Confident | 71.2 | Confident | 5 Ų | 5 | 51 Ų | 51 | 3% | 0.03 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 134.4 | 174.2 | -172.8 | 0 | 0 | 0 | 0 | 109.2 | K106 F107 V116 I687 | K106-V114 CarbonylContact C-O 3.55Å; K106-V114 WeakPolarHBondContact CA-O 3.26Å; F107-V114 PolarHBondContact N-O 2.8Å; F107-V114 PolarHBondContact O-N 2.91Å; V114-V116 HydrophobicContact CB-CG2 4.44Å; V114-V116 HydrophobicContact CG1-CG2 3.74Å; V114-I687 HydrophobicContact CG1-CD1 4.33Å; V114-I687 HydrophobicContact CG1-CG1 4.45Å; V114-I687 HydrophobicContact CG2-CD1 3.83Å; V114-I687 HydrophobicContact CG2-CG1 3.35Å |
| 115 | V | 75.9 | Confident | 71.2 | Confident | 89 Ų | 89 | 48.4 Ų | 48.4 | 54% | 0.539 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 112.8 | 174.3 | 179.5 | 0 | 0 | 0 | 0 | 107.8 | K106 | K106-V115 HydrophobicContact CG-CG2 4.46Å |
| 116 | V | 78.7 | Confident | 71.6 | Confident | 3 Ų | 3 | 44.7 Ų | 44.7 | 2% | 0.018 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 130 | -176.7 | -177.8 | 0 | 0 | 0 | 0 | 109.2 | S104 Q105 F107 V114 T118 H644 L647 F657 | S104-V116 CarbonylContact C-O 3.56Å; S104-V116 WeakPolarHBondContact CA-O 3.43Å; Q105-V116 PolarHBondContact N-O 2.8Å; Q105-V116 PolarHBondContact O-N 3.29Å; F107-V116 HydrophobicContact CD2-CB 4.18Å; F107-V116 HydrophobicContact CD2-CG2 4.02Å; F107-V116 HydrophobicContact CE2-CB 4.1Å; F107-V116 HydrophobicContact CE2-CG2 4.37Å; V114-V116 HydrophobicContact CB-CG2 4.44Å; V114-V116 HydrophobicContact CG1-CG2 3.74Å; V116-T118 PolarHBondContact O-N 2.99Å; V116-H644 VanDerWaalsContact CG1-CE1 3.48Å; V116-H644 WeakPolarHBondContact CG1-CE1 3.48Å; V116-L647 HydrophobicContact CB-CD1 4.32Å; V116-L647 HydrophobicContact CG1-CD1 3.95Å; V116-L647 HydrophobicContact CG2-CD1 3.96Å; V116-F657 HydrophobicContact CG1-CE2 4.3Å; V116-F657 HydrophobicContact CG1-CZ 3.99Å; V116-F657 HydrophobicContact CG2-CE1 4.1Å; V116-F657 HydrophobicContact CG2-CZ 3.91Å |
| 117 | P | 72.7 | Confident | 72.1 | Confident | 26 Ų | 26 | 38.1 Ų | 38.1 | 17% | 0.169 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.4 | 135.2 | 173.9 | -28.3 | 38.5 | 0 | 0 | 0 | 111.6 | V102 H644 | V102-P117 HydrophobicContact CG1-CB 3.86Å; P117-H644 PolarHBondContact O-CE1 2.85Å |
| 118 | T | 69.3 | Low | 72.3 | Confident | 19 Ų | 19 | 38.5 Ų | 38.5 | 12% | 0.117 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -82 | -35.9 | -177.1 | 57 | 0 | 0 | 0 | 0 | 112.8 | A2 K3 R103 Q105 V116 | A2-T118 CarbonylContact C-O 3.58Å; A2-T118 WeakPolarHBondContact CA-O 3.5Å; K3-T118 PolarHBondContact N-O 3.11Å; R103-T118 WeakPolarHBondContact O-CB 3.29Å; R103-T118 PolarHBondContact O-N 3.34Å; R103-T118 PolarHBondContact O-OG1 3.15Å; Q105-T118 HydrophobicContact CB-CG2 3.52Å; V116-T118 PolarHBondContact O-N 2.99Å |
| 119 | S | 72.5 | Confident | 72.8 | Confident | 34 Ų | 34 | 35.5 Ų | 35.5 | 24% | 0.238 | 22% | 0.22 | C | C | . | . | trans | -114.2 | 154.3 | 177.4 | 61.3 | 0 | 0 | 0 | 0 | 111.9 | K3 V102 | K3-S119 VanDerWaalsContact O-CB 3.31Å; K3-S119 WeakPolarHBondContact O-CB 3.38Å; V102-S119 WeakPolarHBondContact CG1-O 3.17Å; V102-S119 WeakPolarHBondContact CG1-OG 3.21Å | ||
| 120 | L | 80.2 | Confident | 74 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 20% | 0.199 | C | C | . | . | trans | -131.8 | 80.3 | -175.5 | -84.6 | 80.2 | 0 | 0 | 0 | 108.9 | A2 W122 F123 E124 E640 H644 | A2-L120 HydrophobicContact CB-CB 3.94Å; A2-L120 HydrophobicContact CB-CD1 3.38Å; A2-L120 HydrophobicContact CB-CG 4.12Å; L120-W122 VanDerWaalsContact C-N 3.34Å; L120-W122 HydrophobicContact CB-CH2 4.15Å; L120-W122 HydrophobicContact CB-CZ2 3.82Å; L120-W122 HydrophobicContact CD2-CH2 4.34Å; L120-W122 HydrophobicContact CD2-CZ2 3.5Å; L120-W122 HydrophobicContact CG-CH2 3.76Å; L120-W122 HydrophobicContact CG-CZ2 3.39Å; L120-W122 PolarHBondContact O-N 2.99Å; L120-F123 HydrophobicContact CB-CB 4.26Å; L120-F123 PolarHBondContact O-N 3.4Å; L120-F123 VanDerWaalsContact O-N 3.11Å; L120-E124 PolarHBondContact O-N 3.39Å; L120-E640 VanDerWaalsContact CD2-CD 3.44Å; L120-E640 HydrophobicContact CD2-CG 3.58Å; L120-H644 VanDerWaalsContact CD1-CE1 3.44Å; L120-H644 WeakPolarHBondContact CD1-CE1 3.44Å; L120-H644 VanDerWaalsContact CD1-NE2 3.27Å; L120-H644 WeakPolarHBondContact CD1-NE2 3.47Å | ||
| 121 | P | 72.5 | Confident | 75 | Confident | 19 Ų | 19 | 28.4 Ų | 28.4 | 12% | 0.123 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61.8 | -34.7 | -169.7 | 21.4 | -33.2 | 0 | 0 | 0 | 114.1 | C96 V102 F123 E124 A125 Y291 | C96-P121 HydrophobicContact CB-CB 4.42Å; V102-P121 HydrophobicContact CG2-CG 4.45Å; P121-F123 VanDerWaalsContact C-N 3.3Å; P121-F123 PolarHBondContact O-N 2.82Å; P121-E124 PolarHBondContact O-N 2.94Å; P121-A125 WeakPolarHBondContact O-CB 3.43Å; P121-A125 PolarHBondContact O-N 3.02Å; P121-Y291 HydrophobicContact CB-CD2 3.84Å; P121-Y291 HydrophobicContact CB-CE2 3.78Å; P121-Y291 HydrophobicContact CG-CE2 4.25Å |
| 122 | W | 76.6 | Confident | 75.9 | Confident | 4 Ų | 4 | 24.6 Ų | 24.6 | 2% | 0.015 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -63.4 | -35.2 | 176.5 | 57 | 90.8 | 0 | 0 | 0 | 112.7 | V93 C96 L120 W126 E640 L676 | V93-W122 HydrophobicContact CB-CB 4.37Å; V93-W122 HydrophobicContact CG1-CB 4.12Å; V93-W122 HydrophobicContact CG2-CB 4.48Å; V93-W122 WeakPolarHBondContact O-CB 3.29Å; C96-W122 HydrophobicContact CB-CB 3.79Å; L120-W122 VanDerWaalsContact C-N 3.34Å; L120-W122 HydrophobicContact CB-CH2 4.15Å; L120-W122 HydrophobicContact CB-CZ2 3.82Å; L120-W122 HydrophobicContact CD2-CH2 4.34Å; L120-W122 HydrophobicContact CD2-CZ2 3.5Å; L120-W122 HydrophobicContact CG-CH2 3.76Å; L120-W122 HydrophobicContact CG-CZ2 3.39Å; L120-W122 PolarHBondContact O-N 2.99Å; W122-W126 WeakPolarHBondContact O-CB 3.47Å; W122-W126 PolarHBondContact O-N 3.28Å; W122-E640 PolarHBondContact NE1-OE2 3.22Å; W122-E640 VanDerWaalsContact NE1-OE2 3.1Å; W122-L676 HydrophobicContact CD2-CD2 4.02Å; W122-L676 HydrophobicContact CG-CD2 4.28Å; W122-L676 HydrophobicContact CZ2-CD2 4.26Å |
| 123 | F | 84 | Confident | 76.7 | Confident | 2 Ų | 2 | 23.3 Ų | 23.3 | 1% | 0.009 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -70.1 | -42.3 | 176.1 | 174.8 | -97 | 0 | 0 | 0 | 111 | L120 P121 W126 R127 L604 L637 Q641 | L120-F123 HydrophobicContact CB-CB 4.26Å; L120-F123 PolarHBondContact O-N 3.4Å; L120-F123 VanDerWaalsContact O-N 3.11Å; P121-F123 VanDerWaalsContact C-N 3.3Å; P121-F123 PolarHBondContact O-N 2.82Å; F123-W126 AromaticContact CD2-CE3 3.93Å; F123-W126 HydrophobicContact CD2-CE3 3.93Å; F123-W126 HydrophobicContact CD2-CZ3 4.16Å; F123-W126 AromaticContact CE2-CE3 3.84Å; F123-W126 HydrophobicContact CE2-CE3 3.84Å; F123-W126 AromaticContact CE2-CZ3 3.61Å; F123-W126 HydrophobicContact CE2-CZ3 3.61Å; F123-W126 HydrophobicContact CZ-CZ3 4.33Å; F123-W126 PolarHBondContact O-N 3.48Å; F123-R127 WeakPolarHBondContact O-CB 3.45Å; F123-R127 PolarHBondContact O-N 3.43Å; F123-L604 HydrophobicContact CE2-CD2 4.41Å; F123-L604 HydrophobicContact CZ-CD2 4.04Å; F123-L637 HydrophobicContact CD2-CB 4.2Å; F123-L637 HydrophobicContact CD2-CD2 4.39Å; F123-Q641 HydrophobicContact CD1-CG 3.87Å; F123-Q641 VanDerWaalsContact CD1-NE2 3.33Å; F123-Q641 HydrophobicContact CD2-CG 3.62Å; F123-Q641 HydrophobicContact CE1-CG 3.73Å; F123-Q641 HydrophobicContact CE2-CG 3.47Å; F123-Q641 VanDerWaalsContact CE2-CG 3.47Å; F123-Q641 HydrophobicContact CG-CG 3.83Å; F123-Q641 HydrophobicContact CZ-CG 3.54Å |
| 124 | E | 77.3 | Confident | 77.4 | Confident | 21 Ų | 21 | 21.8 Ų | 21.8 | 10% | 0.098 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -60.6 | -47.9 | 176.2 | -72.8 | 176.8 | -145.1 | 0 | 0 | 111.5 | C4 S5 L120 P121 R127 Y128 | C4-E124 VanDerWaalsContact CA-OE1 3.28Å; C4-E124 WeakPolarHBondContact CA-OE1 3.45Å; S5-E124 PolarHBondContact N-OE2 2.93Å; S5-E124 PolarHBondContact OG-OE2 3.45Å; L120-E124 PolarHBondContact O-N 3.39Å; P121-E124 PolarHBondContact O-N 2.94Å; E124-R127 PolarHBondContact O-N 3.13Å; E124-Y128 WeakPolarHBondContact O-CB 3.18Å; E124-Y128 PolarHBondContact O-N 3.42Å; E124-Y128 VanDerWaalsContact O-N 3.1Å |
| 125 | A | 70.9 | Confident | 77.3 | Confident | 3 Ų | 3 | 25.9 Ų | 25.9 | 3% | 0.025 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.6 | -47.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | P121 R127 Y128 L129 P288 | P121-A125 WeakPolarHBondContact O-CB 3.43Å; P121-A125 PolarHBondContact O-N 3.02Å; A125-R127 PolarHBondContact O-N 3.35Å; A125-Y128 PolarHBondContact O-N 3.05Å; A125-L129 WeakPolarHBondContact O-CB 3.22Å; A125-L129 VanDerWaalsContact O-CG 3.3Å; A125-L129 WeakPolarHBondContact O-CG 3.01Å; A125-L129 PolarHBondContact O-N 3.28Å; A125-P288 HydrophobicContact CB-CB 4.48Å |
| 126 | W | 82.6 | Confident | 77.1 | Confident | 7 Ų | 7 | 22.1 Ų | 22.1 | 3% | 0.027 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -56.6 | -51.4 | 176.1 | 167.5 | 87.9 | 0 | 0 | 0 | 111.7 | V89 V93 W122 F123 Y128 L129 F130 L600 L604 I634 L637 L638 | V89-W126 HydrophobicContact CG1-CG 4.35Å; V93-W126 HydrophobicContact CG2-CB 3.87Å; V93-W126 HydrophobicContact CG2-CG 4.5Å; W122-W126 WeakPolarHBondContact O-CB 3.47Å; W122-W126 PolarHBondContact O-N 3.28Å; F123-W126 AromaticContact CD2-CE3 3.93Å; F123-W126 HydrophobicContact CD2-CE3 3.93Å; F123-W126 HydrophobicContact CD2-CZ3 4.16Å; F123-W126 AromaticContact CE2-CE3 3.84Å; F123-W126 HydrophobicContact CE2-CE3 3.84Å; F123-W126 AromaticContact CE2-CZ3 3.61Å; F123-W126 HydrophobicContact CE2-CZ3 3.61Å; F123-W126 HydrophobicContact CZ-CZ3 4.33Å; F123-W126 PolarHBondContact O-N 3.48Å; W126-Y128 VanDerWaalsContact C-N 3.27Å; W126-Y128 PolarHBondContact O-N 3.35Å; W126-L129 PolarHBondContact O-N 2.83Å; W126-F130 VanDerWaalsContact O-CB 3.24Å; W126-F130 WeakPolarHBondContact O-CB 3.41Å; W126-F130 PolarHBondContact O-N 2.93Å; W126-L600 HydrophobicContact CH2-CD1 4.44Å; W126-L600 HydrophobicContact CH2-CD2 4.32Å; W126-L600 HydrophobicContact CZ2-CD2 4.21Å; W126-L604 HydrophobicContact CH2-CD1 3.89Å; W126-L604 HydrophobicContact CH2-CD2 4.13Å; W126-L604 HydrophobicContact CZ3-CD1 3.98Å; W126-L604 HydrophobicContact CZ3-CD2 3.76Å; W126-I634 HydrophobicContact CH2-CG2 4.11Å; W126-I634 HydrophobicContact CZ2-CB 4.36Å; W126-I634 HydrophobicContact CZ2-CD1 4.41Å; W126-I634 HydrophobicContact CZ2-CG1 3.96Å; W126-I634 HydrophobicContact CZ2-CG2 3.88Å; W126-L637 HydrophobicContact CB-CD1 4.25Å; W126-L637 HydrophobicContact CD2-CD1 3.59Å; W126-L637 HydrophobicContact CE3-CD1 4.13Å; W126-L637 HydrophobicContact CG-CD1 3.57Å; W126-L637 HydrophobicContact CZ2-CD1 4.42Å; W126-L638 HydrophobicContact CH2-CD2 4.25Å; W126-L638 HydrophobicContact CZ3-CD2 4.4Å |
| 127 | R | 85.5 | Confident | 77 | Confident | 2 Ų | 2 | 24.1 Ų | 24.1 | 1% | 0.008 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -57.9 | -43.4 | -177.2 | 176.4 | 177.7 | 65.6 | 147.8 | -9.1 | 111.1 | F11 F123 E124 A125 I131 L604 E608 | F11-R127 HydrophobicContact CZ-CG 3.85Å; F123-R127 WeakPolarHBondContact O-CB 3.45Å; F123-R127 PolarHBondContact O-N 3.43Å; E124-R127 PolarHBondContact O-N 3.13Å; A125-R127 PolarHBondContact O-N 3.35Å; R127-I131 HydrophobicContact CG-CD1 4.21Å; R127-I131 WeakPolarHBondContact O-CG1 3.18Å; R127-I131 PolarHBondContact O-N 3.44Å; R127-L604 HydrophobicContact CG-CD1 4.27Å; R127-L604 HydrophobicContact CG-CD2 4.44Å; R127-E608 IonicContact CZ-OE2 2.6Å; R127-E608 IonicContact NH1-OE2 3.59Å; R127-E608 PolarHBondContact NH1-OE2 3.12Å; R127-E608 IonicContact NH2-OE2 3.83Å; R127-E608 PolarHBondContact NH2-OE2 2.81Å |
| 128 | Y | 78.4 | Confident | 77.1 | Confident | 42 Ų | 42 | 29.7 Ų | 29.7 | 17% | 0.165 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -64.5 | -53.5 | 177.3 | 175.6 | -121.9 | 0 | 0 | 0 | 113.4 | F14 E124 A125 W126 F130 I131 T132 P288 H289 | F14-Y128 AromaticContact CD1-CE2 3.9Å; F14-Y128 HydrophobicContact CD1-CE2 3.9Å; F14-Y128 HydrophobicContact CE1-CD2 4.27Å; F14-Y128 AromaticContact CE1-CE2 3.32Å; F14-Y128 HydrophobicContact CE1-CE2 3.32Å; F14-Y128 AromaticContact CE1-CZ 3.65Å; F14-Y128 WeakPolarHBondContact CE1-OH 3.36Å; F14-Y128 HydrophobicContact CZ-CE2 4.36Å; E124-Y128 WeakPolarHBondContact O-CB 3.18Å; E124-Y128 PolarHBondContact O-N 3.42Å; E124-Y128 VanDerWaalsContact O-N 3.1Å; A125-Y128 PolarHBondContact O-N 3.05Å; W126-Y128 VanDerWaalsContact C-N 3.27Å; W126-Y128 PolarHBondContact O-N 3.35Å; Y128-F130 PolarHBondContact O-N 2.94Å; Y128-I131 PolarHBondContact O-N 3.18Å; Y128-T132 HydrophobicContact CD2-CG2 3.6Å; Y128-T132 HydrophobicContact CE2-CG2 3.1Å; Y128-T132 WeakPolarHBondContact O-CB 3.36Å; Y128-T132 PolarHBondContact O-N 2.99Å; Y128-T132 PolarHBondContact O-OG1 3.47Å; Y128-P288 HydrophobicContact CD1-CB 3.88Å; Y128-P288 HydrophobicContact CE1-CB 4.28Å; Y128-H289 WeakPolarHBondContact CB-CD2 3.46Å; Y128-H289 WeakPolarHBondContact CB-NE2 3.34Å; Y128-H289 AromaticContact CD1-CD2 3.81Å; Y128-H289 AromaticContact CD1-CG 3.78Å; Y128-H289 AromaticContact CD2-CD2 3.56Å; Y128-H289 AromaticContact CD2-CE1 2.94Å; Y128-H289 WeakPolarHBondContact CD2-CE1 3.41Å; Y128-H289 AromaticContact CD2-CG 3.93Å; Y128-H289 AromaticContact CD2-ND1 3.6Å; Y128-H289 AromaticContact CD2-NE2 2.9Å; Y128-H289 WeakPolarHBondContact CD2-NE2 3.38Å; Y128-H289 AromaticContact CE2-CE1 3.23Å; Y128-H289 WeakPolarHBondContact CE2-CE1 3.44Å; Y128-H289 AromaticContact CE2-ND1 3.68Å; Y128-H289 AromaticContact CE2-NE2 3.72Å; Y128-H289 AromaticContact CG-CD2 3.17Å; Y128-H289 AromaticContact CG-CE1 3.42Å; Y128-H289 VanDerWaalsContact CG-CE1 3.42Å; Y128-H289 AromaticContact CG-CG 3.57Å; Y128-H289 AromaticContact CG-ND1 3.72Å; Y128-H289 AromaticContact CG-NE2 3.07Å; Y128-H289 AromaticContact CZ-CE1 3.96Å; Y128-H289 AromaticContact CZ-ND1 3.94Å |
| 129 | L | 76.8 | Confident | 77.8 | Confident | 23 Ų | 23 | 28.8 Ų | 28.8 | 12% | 0.12 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -59.4 | -39.2 | -179.9 | -72.7 | 173.4 | 0 | 0 | 0 | 110.1 | V89 F92 A125 W126 T132 N133 P288 | V89-L129 HydrophobicContact CG2-CB 4.17Å; F92-L129 HydrophobicContact CB-CD1 4.15Å; F92-L129 HydrophobicContact CD2-CD1 3.88Å; F92-L129 HydrophobicContact CG-CD1 4.05Å; A125-L129 WeakPolarHBondContact O-CB 3.22Å; A125-L129 VanDerWaalsContact O-CG 3.3Å; A125-L129 WeakPolarHBondContact O-CG 3.01Å; A125-L129 PolarHBondContact O-N 3.28Å; W126-L129 PolarHBondContact O-N 2.83Å; L129-T132 PolarHBondContact O-OG1 2.85Å; L129-N133 VanDerWaalsContact O-CB 3.23Å; L129-N133 WeakPolarHBondContact O-CB 3.41Å; L129-N133 PolarHBondContact O-N 3.27Å; L129-N133 VanDerWaalsContact O-N 3.12Å; L129-N133 PolarHBondContact O-ND2 3.45Å; L129-P288 HydrophobicContact CD1-CB 4.37Å; L129-P288 HydrophobicContact CD1-CG 4.08Å; L129-P288 HydrophobicContact CD2-CB 4.17Å; L129-P288 HydrophobicContact CD2-CG 3.98Å; L129-P288 HydrophobicContact CG-CB 4.13Å; L129-P288 HydrophobicContact CG-CG 4.2Å |
| 130 | F | 83.7 | Confident | 78.5 | Confident | 33 Ų | 33 | 27.2 Ų | 27.2 | 15% | 0.145 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -58 | -59.3 | 174 | 174.4 | -102.8 | 0 | 0 | 0 | 110.9 | W126 Y128 T132 N133 L134 E597 L600 R601 L604 | W126-F130 VanDerWaalsContact O-CB 3.24Å; W126-F130 WeakPolarHBondContact O-CB 3.41Å; W126-F130 PolarHBondContact O-N 2.93Å; Y128-F130 PolarHBondContact O-N 2.94Å; F130-T132 PolarHBondContact O-N 3.33Å; F130-N133 PolarHBondContact O-N 2.86Å; F130-L134 HydrophobicContact CE1-CD1 4.16Å; F130-L134 HydrophobicContact CE1-CD2 4.44Å; F130-L134 HydrophobicContact CE2-CD2 4.09Å; F130-L134 HydrophobicContact CZ-CD1 4.39Å; F130-L134 HydrophobicContact CZ-CD2 3.91Å; F130-L134 WeakPolarHBondContact O-CG 3.4Å; F130-L134 PolarHBondContact O-N 3.28Å; F130-E597 HydrophobicContact CZ-CB 4.4Å; F130-E597 WeakPolarHBondContact CZ-O 3.41Å; F130-L600 HydrophobicContact CD2-CD2 4.46Å; F130-L600 HydrophobicContact CE1-CB 4.12Å; F130-L600 HydrophobicContact CE1-CD2 3.91Å; F130-L600 HydrophobicContact CE1-CG 3.81Å; F130-L600 HydrophobicContact CE2-CD2 3.86Å; F130-L600 HydrophobicContact CZ-CB 3.93Å; F130-L600 HydrophobicContact CZ-CD2 3.56Å; F130-L600 HydrophobicContact CZ-CG 3.84Å; F130-R601 HydrophobicContact CE1-CB 4.4Å; F130-L604 HydrophobicContact CD1-CD1 3.72Å; F130-L604 HydrophobicContact CE1-CD1 4.02Å |
| 131 | I | 83.1 | Confident | 79 | Confident | 12 Ų | 12 | 28.2 Ų | 28.2 | 6% | 0.062 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -65.9 | -40.4 | -173.6 | -59.9 | 174.6 | 0 | 0 | 0 | 112.1 | F11 V15 R127 Y128 N133 L134 R601 L604 L605 | F11-I131 HydrophobicContact CE1-CD1 4.2Å; F11-I131 HydrophobicContact CZ-CD1 3.96Å; V15-I131 HydrophobicContact CG1-CB 4.44Å; V15-I131 HydrophobicContact CG1-CG2 3.42Å; V15-I131 VanDerWaalsContact CG1-CG2 3.42Å; R127-I131 HydrophobicContact CG-CD1 4.21Å; R127-I131 WeakPolarHBondContact O-CG1 3.18Å; R127-I131 PolarHBondContact O-N 3.44Å; Y128-I131 PolarHBondContact O-N 3.18Å; I131-N133 VanDerWaalsContact C-N 3.33Å; I131-N133 PolarHBondContact O-N 3.09Å; I131-L134 WeakPolarHBondContact O-CB 3.21Å; I131-L134 PolarHBondContact O-N 3.45Å; I131-R601 HydrophobicContact CG1-CG 4.31Å; I131-R601 HydrophobicContact CG2-CG 4.16Å; I131-L604 HydrophobicContact CD1-CB 4.46Å; I131-L605 HydrophobicContact CD1-CD2 4.25Å; I131-L605 HydrophobicContact CD1-CG 4.5Å |
| 132 | T | 76.7 | Confident | 79.7 | Confident | 37 Ų | 37 | 27.5 Ų | 27.5 | 23% | 0.227 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -70.9 | -25.9 | -179.4 | 48.7 | 0 | 0 | 0 | 0 | 114.4 | Y128 L129 F130 | Y128-T132 HydrophobicContact CD2-CG2 3.6Å; Y128-T132 HydrophobicContact CE2-CG2 3.1Å; Y128-T132 WeakPolarHBondContact O-CB 3.36Å; Y128-T132 PolarHBondContact O-N 2.99Å; Y128-T132 PolarHBondContact O-OG1 3.47Å; L129-T132 PolarHBondContact O-OG1 2.85Å; F130-T132 PolarHBondContact O-N 3.33Å |
| 133 | N | 77 | Confident | 80.1 | Confident | 61 Ų | 61 | 29.2 Ų | 29.2 | 33% | 0.326 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -0.7 | 176.7 | -73.5 | -64.3 | 0 | 0 | 0 | 113.6 | T85 L129 F130 I131 Q135 | T85-N133 HydrophobicContact CG2-CB 3.96Å; L129-N133 VanDerWaalsContact O-CB 3.23Å; L129-N133 WeakPolarHBondContact O-CB 3.41Å; L129-N133 PolarHBondContact O-N 3.27Å; L129-N133 VanDerWaalsContact O-N 3.12Å; L129-N133 PolarHBondContact O-ND2 3.45Å; F130-N133 PolarHBondContact O-N 2.86Å; I131-N133 VanDerWaalsContact C-N 3.33Å; I131-N133 PolarHBondContact O-N 3.09Å; N133-Q135 PolarHBondContact O-N 2.93Å |
| 134 | L | 79.5 | Confident | 80.3 | Confident | 15 Ų | 15 | 30.1 Ų | 30.1 | 8% | 0.079 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -62.5 | 136.8 | 173.2 | -67.3 | 174.5 | 0 | 0 | 0 | 110.5 | F130 I131 R181 E597 R601 | F130-L134 HydrophobicContact CE1-CD1 4.16Å; F130-L134 HydrophobicContact CE1-CD2 4.44Å; F130-L134 HydrophobicContact CE2-CD2 4.09Å; F130-L134 HydrophobicContact CZ-CD1 4.39Å; F130-L134 HydrophobicContact CZ-CD2 3.91Å; F130-L134 WeakPolarHBondContact O-CG 3.4Å; F130-L134 PolarHBondContact O-N 3.28Å; I131-L134 WeakPolarHBondContact O-CB 3.21Å; I131-L134 PolarHBondContact O-N 3.45Å; L134-R181 PolarHBondContact O-NH2 2.77Å; L134-E597 HydrophobicContact CD2-CB 3.82Å; L134-E597 HydrophobicContact CD2-CG 4.42Å; L134-R601 HydrophobicContact CD1-CB 3.81Å; L134-R601 HydrophobicContact CD1-CG 4Å |
| 135 | Q | 70.6 | Confident | 81 | Confident | 92 Ų | 92 | 29.8 Ų | 29.8 | 43% | 0.43 | 15% | 0.148 | S | C | . | . | P | Polyproline II helix | trans | -73.3 | 132.9 | 172.3 | -174.7 | 173.2 | -5.7 | 0 | 0 | 108.5 | N133 F137 F183 | N133-Q135 PolarHBondContact O-N 2.93Å; Q135-F137 WeakPolarHBondContact O-CD2 3.27Å; Q135-F137 WeakPolarHBondContact O-CE2 3.47Å; Q135-F137 PolarHBondContact O-N 2.99Å; Q135-F183 HydrophobicContact CG-CE2 3.96Å; Q135-F183 HydrophobicContact CG-CZ 4.21Å |
| 136 | P | 70.9 | Confident | 82.1 | Confident | 9 Ų | 9 | 29.6 Ų | 29.6 | 6% | 0.058 | 15% | 0.147 | C | C | . | . | P | Polyproline II helix | trans | -56.7 | 128 | 172.3 | -25.6 | 35.6 | 0 | 0 | 0 | 109.9 | F183 | P136-F183 HydrophobicContact CB-CD2 3.9Å; P136-F183 HydrophobicContact CB-CE2 4.26Å; P136-F183 HydrophobicContact CB-CG 4.37Å; P136-F183 HydrophobicContact CG-CD2 3.55Å; P136-F183 HydrophobicContact CG-CE2 4.03Å; P136-F183 HydrophobicContact CG-CG 4.35Å |
| 137 | F | 77.3 | Confident | 82.6 | Confident | 46 Ų | 46 | 29.3 Ų | 29.3 | 20% | 0.202 | 15% | 0.145 | C | C | . | . | P | Polyproline II helix | trans | -89.4 | 159.6 | 177.4 | -69.4 | -97.9 | 0 | 0 | 0 | 110.7 | Q135 H139 E140 L598 | Q135-F137 WeakPolarHBondContact O-CD2 3.27Å; Q135-F137 WeakPolarHBondContact O-CE2 3.47Å; Q135-F137 PolarHBondContact O-N 2.99Å; F137-H139 WeakPolarHBondContact CB-CE1 3.35Å; F137-H139 WeakPolarHBondContact CB-ND1 3.37Å; F137-H139 PolarHBondContact O-N 3.42Å; F137-H139 VanDerWaalsContact O-N 3.08Å; F137-E140 HydrophobicContact CB-CG 4.33Å; F137-E140 WeakPolarHBondContact O-CG 3.35Å; F137-E140 PolarHBondContact O-N 3.11Å; F137-L598 HydrophobicContact CB-CD1 4.4Å; F137-L598 HydrophobicContact CD1-CD1 4.04Å; F137-L598 HydrophobicContact CD2-CD1 3.76Å; F137-L598 HydrophobicContact CD2-CD2 3.54Å; F137-L598 HydrophobicContact CD2-CG 3.84Å; F137-L598 HydrophobicContact CE1-CD1 4.23Å; F137-L598 HydrophobicContact CE1-CG 4.39Å; F137-L598 HydrophobicContact CE2-CD1 3.97Å; F137-L598 HydrophobicContact CE2-CD2 3.45Å; F137-L598 VanDerWaalsContact CE2-CD2 3.45Å; F137-L598 HydrophobicContact CE2-CG 3.59Å; F137-L598 HydrophobicContact CG-CD1 3.81Å; F137-L598 HydrophobicContact CG-CD2 4.41Å; F137-L598 HydrophobicContact CG-CG 4.36Å; F137-L598 HydrophobicContact CZ-CD1 4.2Å; F137-L598 HydrophobicContact CZ-CD2 4.26Å; F137-L598 HydrophobicContact CZ-CG 3.89Å |
| 138 | E | 74.6 | Confident | 83 | Confident | 142 Ų | 142 | 29.2 Ų | 29.2 | 66% | 0.664 | 15% | 0.145 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -24.8 | -173.1 | -62.2 | -178.1 | 166.6 | 0 | 0 | 114.1 | ||
| 139 | H | 83.9 | Confident | 83.9 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91 | -0.9 | -175.9 | 67.5 | -72.6 | 0 | 0 | 0 | 114.9 | F137 L553 H554 Y589 L598 | F137-H139 WeakPolarHBondContact CB-CE1 3.35Å; F137-H139 WeakPolarHBondContact CB-ND1 3.37Å; F137-H139 PolarHBondContact O-N 3.42Å; F137-H139 VanDerWaalsContact O-N 3.08Å; H139-L553 HydrophobicContact CB-CD2 4.48Å; H139-L553 HydrophobicContact CB-CG 4.36Å; H139-L553 PolarHBondContact CD2-O 2.71Å; H139-L553 WeakPolarHBondContact ND1-CD2 3.22Å; H139-L553 WeakPolarHBondContact ND1-CG 3.39Å; H139-H554 HydrophobicContact CB-CB 4.33Å; H139-H554 WeakPolarHBondContact CB-CD2 3.49Å; H139-Y589 PolarHBondContact NE2-OH 2.99Å; H139-L598 VanDerWaalsContact CE1-CD1 3.44Å; H139-L598 WeakPolarHBondContact CE1-CD1 3.21Å |
| 140 | E | 87.2 | Confident | 84.7 | Confident | 2 Ų | 2 | 26.1 Ų | 26.1 | 1% | 0.009 | 13% | 0.131 | C | C | . | . | trans | -131.7 | 142 | -175.6 | 63.9 | 178.9 | -165.5 | 0 | 0 | 113.7 | F137 H144 R601 | F137-E140 HydrophobicContact CB-CG 4.33Å; F137-E140 WeakPolarHBondContact O-CG 3.35Å; F137-E140 PolarHBondContact O-N 3.11Å; E140-H144 PolarHBondContact O-CE1 3.07Å; E140-H144 PolarHBondContact O-ND1 3.28Å; E140-R601 VanDerWaalsContact CD-NH1 3.27Å; E140-R601 IonicContact OE1-NH1 3.21Å; E140-R601 PolarHBondContact OE1-NH1 3.47Å; E140-R601 IonicContact OE2-CZ 2.95Å; E140-R601 IonicContact OE2-NH1 3.17Å; E140-R601 PolarHBondContact OE2-NH1 2.96Å; E140-R601 IonicContact OE2-NH2 3.21Å; E140-R601 PolarHBondContact OE2-NH2 2.8Å | ||
| 141 | F | 89.9 | Confident | 85.3 | Confident | 20 Ų | 20 | 24.5 Ų | 24.5 | 9% | 0.088 | 13% | 0.125 | C | C | . | . | trans | -118.7 | 4.5 | -177.4 | -55.8 | -85.8 | 0 | 0 | 0 | 114.1 | S143 H144 F185 R520 R521 D524 | F141-S143 VanDerWaalsContact C-N 3.27Å; F141-S143 PolarHBondContact O-N 3.37Å; F141-H144 AromaticContact CD1-NE2 3.88Å; F141-H144 PolarHBondContact O-N 3.35Å; F141-F185 HydrophobicContact CB-CD2 3.97Å; F141-F185 HydrophobicContact CB-CE2 3.69Å; F141-R520 HydrophobicContact CD2-CB 4.4Å; F141-R520 HydrophobicContact CD2-CG 3.79Å; F141-R520 HydrophobicContact CE2-CB 4.11Å; F141-R520 HydrophobicContact CE2-CG 3.75Å; F141-R521 HydrophobicContact CB-CG 4.34Å; F141-R521 HydrophobicContact CD1-CG 3.76Å; F141-R521 HydrophobicContact CD2-CB 4.45Å; F141-R521 HydrophobicContact CD2-CG 3.52Å; F141-R521 HydrophobicContact CE1-CG 3.86Å; F141-R521 HydrophobicContact CE2-CG 3.63Å; F141-R521 HydrophobicContact CG-CG 3.58Å; F141-R521 HydrophobicContact CZ-CG 3.8Å; F141-D524 HydrophobicContact CB-CB 4.12Å; F141-D524 PolarHBondContact N-OD2 2.87Å | ||
| 142 | N | 87.5 | Confident | 85.8 | Confident | 4 Ų | 4 | 24 Ų | 24 | 2% | 0.021 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -20.1 | -176.7 | 59.2 | 33.5 | 0 | 0 | 0 | 114.7 | F16 L528 M561 | F16-N142 HydrophobicContact CD1-CB 4.05Å; F16-N142 WeakPolarHBondContact CE1-ND2 3.48Å; N142-L528 HydrophobicContact CB-CD2 4.46Å; N142-M561 HydrophobicContact CB-CE 4.21Å |
| 143 | S | 84.8 | Confident | 86.6 | Confident | 40 Ų | 40 | 22.6 Ų | 22.6 | 28% | 0.28 | 11% | 0.113 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.2 | 9.6 | -177.9 | -61.2 | 0 | 0 | 0 | 0 | 113 | F141 | F141-S143 VanDerWaalsContact C-N 3.27Å; F141-S143 PolarHBondContact O-N 3.37Å |
| 144 | H | 89 | Confident | 87.2 | Confident | 22 Ų | 22 | 20 Ų | 20 | 10% | 0.102 | 10% | 0.1 | C | C | . | . | S | Bend | trans | -82.3 | 143.6 | 178 | -71.8 | 51.6 | 0 | 0 | 0 | 110.9 | E140 F141 L146 W184 F185 | E140-H144 PolarHBondContact O-CE1 3.07Å; E140-H144 PolarHBondContact O-ND1 3.28Å; F141-H144 AromaticContact CD1-NE2 3.88Å; F141-H144 PolarHBondContact O-N 3.35Å; H144-L146 PolarHBondContact O-N 2.87Å; H144-W184 PolarHBondContact CD2-O 2.82Å; H144-F185 HydrophobicContact CB-CB 3.98Å; H144-F185 HydrophobicContact CB-CD2 4.19Å |
| 145 | N | 90.5 | Very high | 87.5 | Confident | 13 Ų | 13 | 23 Ų | 23 | 7% | 0.07 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 121.2 | 176.7 | -69.4 | -40.2 | 0 | 0 | 0 | 110.2 | C19 F183 W184 F185 | C19-N145 WeakPolarHBondContact CB-OD1 3.36Å; C19-N145 WeakPolarHBondContact O-CA 3.38Å; N145-F183 PolarHBondContact N-O 3.21Å; N145-W184 HydrophobicContact CB-CE3 3.6Å; N145-W184 HydrophobicContact CB-CZ3 3.78Å; N145-F185 WeakPolarHBondContact O-CB 3.24Å; N145-F185 PolarHBondContact O-N 3.31Å |
| 146 | L | 94.1 | Very high | 88.3 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | -29.4 | 177.2 | -55.6 | -171.3 | 0 | 0 | 0 | 111.7 | P18 C19 H144 F185 L190 L394 W397 L525 L528 F529 | P18-L146 HydrophobicContact CB-CD1 3.88Å; C19-L146 PolarHBondContact O-N 3.46Å; H144-L146 PolarHBondContact O-N 2.87Å; L146-F185 HydrophobicContact CD2-CB 3.69Å; L146-F185 HydrophobicContact CD2-CD1 4.16Å; L146-F185 HydrophobicContact CD2-CD2 3.76Å; L146-F185 HydrophobicContact CD2-CE2 4.45Å; L146-F185 HydrophobicContact CD2-CG 3.6Å; L146-L190 PolarHBondContact O-N 2.99Å; L146-L394 HydrophobicContact CB-CD1 4.31Å; L146-W397 HydrophobicContact CB-CH2 4.42Å; L146-W397 HydrophobicContact CB-CZ3 3.98Å; L146-W397 WeakPolarHBondContact O-CH2 3.18Å; L146-L525 HydrophobicContact CD2-CD1 4.13Å; L146-L528 HydrophobicContact CD1-CD1 4.46Å; L146-F529 HydrophobicContact CD1-CE2 3.76Å; L146-F529 HydrophobicContact CD1-CZ 4.12Å |
| 147 | A | 94 | Very high | 89 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 157.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | V20 G21 L190 F389 L394 | V20-A147 HydrophobicContact CG1-CB 4.18Å; V20-A147 HydrophobicContact CG2-CB 4.5Å; G21-A147 PolarHBondContact N-O 3.42Å; A147-L190 CarbonylContact C-O 3.55Å; A147-L190 VanDerWaalsContact CA-O 3.24Å; A147-L190 WeakPolarHBondContact CA-O 3.35Å; A147-L190 HydrophobicContact CB-CB 3.77Å; A147-L190 HydrophobicContact CB-CD2 3.98Å; A147-L190 HydrophobicContact CB-CG 4.07Å; A147-F389 HydrophobicContact CB-CE2 4.3Å; A147-F389 HydrophobicContact CB-CZ 3.84Å; A147-L394 HydrophobicContact CB-CD1 4.35Å |
| 148 | C | 94.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 124.7 | 169.2 | -167.6 | 0 | 0 | 0 | 0 | 109.5 | G21 F150 Q170 W184 L190 F192 | G21-C148 CarbonylContact O-C 3.53Å; G21-C148 WeakPolarHBondContact O-CA 3.39Å; C148-F150 HydrophobicContact CB-CE2 4.05Å; C148-F150 HydrophobicContact CB-CZ 3.96Å; C148-Q170 HydrophobicContact CB-CG 4.26Å; C148-W184 HydrophobicContact CB-CH2 3.67Å; C148-W184 HydrophobicContact CB-CZ3 3.76Å; C148-L190 PolarHBondContact N-O 2.94Å; C148-F192 PolarHBondContact O-N 3.08Å |
| 149 | I | 96.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 122.3 | 172.4 | -56.6 | 178.9 | 0 | 0 | 0 | 108.3 | V20 G21 L22 L23 F72 V151 F192 V194 F385 F389 | V20-I149 HydrophobicContact CG1-CD1 3.67Å; V20-I149 HydrophobicContact CG1-CG1 3.69Å; G21-I149 PolarHBondContact O-N 3.18Å; L22-I149 WeakPolarHBondContact CA-O 3.49Å; L22-I149 HydrophobicContact CD2-CB 3.75Å; L22-I149 HydrophobicContact CD2-CD1 4.07Å; L22-I149 HydrophobicContact CD2-CG1 4.27Å; L22-I149 HydrophobicContact CD2-CG2 4.35Å; L23-I149 PolarHBondContact N-O 2.82Å; F72-I149 HydrophobicContact CD1-CD1 4.28Å; F72-I149 HydrophobicContact CE1-CD1 3.84Å; I149-V151 HydrophobicContact CG2-CG2 3.95Å; I149-F192 CarbonylContact C-O 3.49Å; I149-F192 VanDerWaalsContact CA-O 3.32Å; I149-F192 WeakPolarHBondContact CA-O 3.19Å; I149-F192 HydrophobicContact CG1-CB 4.33Å; I149-V194 HydrophobicContact CG2-CB 4.36Å; I149-V194 HydrophobicContact CG2-CG2 3.54Å; I149-F385 HydrophobicContact CD1-CZ 4.14Å; I149-F385 HydrophobicContact CG2-CZ 4.37Å; I149-F389 HydrophobicContact CD1-CD1 4.27Å; I149-F389 HydrophobicContact CD1-CD2 4.17Å; I149-F389 HydrophobicContact CD1-CE1 4.16Å; I149-F389 HydrophobicContact CD1-CE2 4.05Å; I149-F389 HydrophobicContact CD1-CG 4.27Å; I149-F389 HydrophobicContact CD1-CZ 4.05Å; I149-F389 HydrophobicContact CG1-CD2 4.41Å; I149-F389 HydrophobicContact CG1-CE2 4.01Å; I149-F389 HydrophobicContact CG1-CZ 4.23Å |
| 150 | F | 95.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 126.9 | 176 | -56 | -82.4 | 0 | 0 | 0 | 108.8 | L23 C148 F163 L166 Q170 K191 F192 Y193 V194 | L23-F150 HydrophobicContact CB-CD1 3.99Å; L23-F150 HydrophobicContact CB-CE1 4.34Å; L23-F150 HydrophobicContact CD1-CD1 4.16Å; L23-F150 HydrophobicContact CD1-CE1 3.67Å; L23-F150 WeakPolarHBondContact O-CA 3.08Å; C148-F150 HydrophobicContact CB-CE2 4.05Å; C148-F150 HydrophobicContact CB-CZ 3.96Å; F150-F163 HydrophobicContact CB-CD1 3.88Å; F150-F163 HydrophobicContact CB-CE1 4.08Å; F150-L166 HydrophobicContact CD1-CB 3.72Å; F150-L166 HydrophobicContact CE1-CB 4.3Å; F150-L166 WeakPolarHBondContact CE1-O 3.46Å; F150-Q170 HydrophobicContact CE1-CB 3.87Å; F150-Q170 HydrophobicContact CE1-CG 4.36Å; F150-Q170 HydrophobicContact CZ-CB 3.96Å; F150-Q170 HydrophobicContact CZ-CG 4.08Å; F150-K191 HydrophobicContact CE2-CB 3.85Å; F150-K191 HydrophobicContact CE2-CD 4.37Å; F150-K191 HydrophobicContact CE2-CG 3.94Å; F150-K191 HydrophobicContact CZ-CG 4.43Å; F150-F192 WeakPolarHBondContact CD2-O 3.48Å; F150-F192 PolarHBondContact N-O 2.81Å; F150-Y193 HydrophobicContact CB-CD1 4.05Å; F150-Y193 HydrophobicContact CB-CE1 4.42Å; F150-Y193 AromaticContact CD2-CD1 3.97Å; F150-Y193 HydrophobicContact CD2-CD1 3.97Å; F150-Y193 AromaticContact CD2-CE1 3.72Å; F150-Y193 HydrophobicContact CD2-CE1 3.72Å; F150-Y193 HydrophobicContact CE2-CE1 4.31Å; F150-Y193 HydrophobicContact CG-CD1 4.29Å; F150-Y193 HydrophobicContact CG-CE1 4.2Å; F150-V194 PolarHBondContact O-N 2.97Å |
| 151 | V | 95.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 124.6 | -174.8 | -162.6 | 0 | 0 | 0 | 0 | 109.7 | L23 V24 S25 V28 F39 I149 V194 L196 | L23-V151 PolarHBondContact O-N 3.1Å; V24-V151 HydrophobicContact CG1-CB 4.46Å; V24-V151 HydrophobicContact CG2-CB 4.35Å; V24-V151 HydrophobicContact CG2-CG2 4.14Å; S25-V151 PolarHBondContact N-O 2.75Å; S25-V151 VanDerWaalsContact N-O 3.13Å; S25-V151 PolarHBondContact OG-O 3.26Å; S25-V151 VanDerWaalsContact OG-O 3.13Å; V28-V151 HydrophobicContact CG1-CG1 3.87Å; V28-V151 HydrophobicContact CG2-CB 4.42Å; V28-V151 HydrophobicContact CG2-CG1 3.93Å; F39-V151 HydrophobicContact CD1-CG1 4.5Å; F39-V151 HydrophobicContact CD1-CG2 3.95Å; F39-V151 HydrophobicContact CD2-CG1 4.38Å; F39-V151 HydrophobicContact CE1-CB 4.42Å; F39-V151 HydrophobicContact CE1-CG1 4.17Å; F39-V151 HydrophobicContact CE1-CG2 3.53Å; F39-V151 HydrophobicContact CE2-CG1 4.04Å; F39-V151 HydrophobicContact CZ-CG1 3.92Å; F39-V151 HydrophobicContact CZ-CG2 4.02Å; I149-V151 HydrophobicContact CG2-CG2 3.95Å; V151-V194 WeakPolarHBondContact CA-O 3.34Å; V151-V194 HydrophobicContact CG1-CB 4.32Å; V151-V194 HydrophobicContact CG1-CG1 4.29Å; V151-V194 HydrophobicContact CG2-CB 4.39Å; V151-L196 HydrophobicContact CG1-CB 4.47Å |
| 152 | L | 93.9 | Very high | 90.9 | Very high | 2 Ų | 2 | 30.1 Ų | 30.1 | 1% | 0.01 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 155.5 | 174.3 | -70 | -174.9 | 0 | 0 | 0 | 110.7 | S25 P159 F163 L166 V194 L195 L196 | S25-L152 VanDerWaalsContact CB-CD2 3.41Å; S25-L152 VanDerWaalsContact OG-CD2 3.25Å; S25-L152 WeakPolarHBondContact OG-CD2 3.45Å; L152-P159 HydrophobicContact CD1-CB 4.47Å; L152-P159 VanDerWaalsContact CD1-O 3.26Å; L152-P159 WeakPolarHBondContact CD1-O 3.32Å; L152-F163 HydrophobicContact CB-CE1 3.93Å; L152-F163 HydrophobicContact CB-CE2 4.29Å; L152-F163 HydrophobicContact CB-CZ 3.78Å; L152-F163 HydrophobicContact CD1-CB 4.27Å; L152-F163 HydrophobicContact CD1-CD1 3.68Å; L152-F163 HydrophobicContact CD1-CD2 3.69Å; L152-F163 HydrophobicContact CD1-CE1 3.86Å; L152-F163 HydrophobicContact CD1-CE2 3.85Å; L152-F163 HydrophobicContact CD1-CG 3.58Å; L152-F163 HydrophobicContact CD1-CZ 3.94Å; L152-F163 HydrophobicContact CG-CD1 3.79Å; L152-F163 HydrophobicContact CG-CD2 4.48Å; L152-F163 HydrophobicContact CG-CE1 3.61Å; L152-F163 HydrophobicContact CG-CE2 4.32Å; L152-F163 HydrophobicContact CG-CG 4.23Å; L152-F163 HydrophobicContact CG-CZ 3.89Å; L152-L166 HydrophobicContact CD2-CD1 3.68Å; L152-L166 HydrophobicContact CG-CD1 4.19Å; L152-V194 PolarHBondContact N-O 2.93Å; L152-V194 VanDerWaalsContact N-O 3.13Å; L152-L195 HydrophobicContact CB-CD1 4.48Å; L152-L196 PolarHBondContact O-N 3Å |
| 153 | T | 92.2 | Very high | 91.3 | Very high | 6 Ų | 6 | 30 Ų | 30 | 4% | 0.037 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 157.6 | 169.3 | 75.3 | 0 | 0 | 0 | 0 | 112.5 | D27 V28 L31 S155 H156 L196 | D27-T153 HydrophobicContact CB-CG2 4.19Å; D27-T153 VanDerWaalsContact OD2-CB 3.31Å; D27-T153 WeakPolarHBondContact OD2-CB 3.48Å; D27-T153 WeakPolarHBondContact OD2-CG2 3.32Å; D27-T153 PolarHBondContact OD2-N 3.14Å; D27-T153 PolarHBondContact OD2-OG1 3.19Å; V28-T153 HydrophobicContact CB-CG2 4.2Å; V28-T153 HydrophobicContact CG2-CG2 3.52Å; L31-T153 HydrophobicContact CD2-CG2 4.35Å; T153-S155 PolarHBondContact O-N 2.84Å; T153-S155 PolarHBondContact OG1-N 3.49Å; T153-H156 WeakPolarHBondContact O-CB 3.45Å; T153-H156 PolarHBondContact O-N 2.92Å; T153-H156 PolarHBondContact OG1-N 3.49Å; T153-L196 CarbonylContact C-O 3.56Å; T153-L196 WeakPolarHBondContact CA-O 3.44Å |
| 154 | T | 90.1 | Very high | 91.7 | Very high | 7 Ų | 7 | 31.3 Ų | 31.3 | 4% | 0.043 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -16.6 | 167.9 | 53.6 | 0 | 0 | 0 | 0 | 113.4 | H156 L195 L196 H197 V208 | T154-H156 VanDerWaalsContact C-N 3.26Å; T154-L195 HydrophobicContact CG2-CD1 4.19Å; T154-L195 HydrophobicContact CG2-CD2 3.97Å; T154-L195 HydrophobicContact CG2-CG 3.8Å; T154-L196 PolarHBondContact N-O 2.8Å; T154-H197 HydrophobicContact CG2-CB 3.67Å; T154-H197 PolarHBondContact OG1-ND1 2.87Å; T154-V208 HydrophobicContact CG2-CG1 4.03Å |
| 155 | S | 85.4 | Confident | 91.9 | Very high | 79 Ų | 79 | 34.5 Ų | 34.5 | 55% | 0.552 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -8.2 | 178.1 | -54.1 | 0 | 0 | 0 | 0 | 112.5 | T153 | T153-S155 PolarHBondContact O-N 2.84Å; T153-S155 PolarHBondContact OG1-N 3.49Å |
| 156 | H | 88.4 | Confident | 91.8 | Very high | 48 Ų | 48 | 35.4 Ų | 35.4 | 22% | 0.222 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -64.8 | 131.8 | 175.8 | -168.9 | -82.4 | 0 | 0 | 0 | 110.5 | T153 T154 D158 P159 | T153-H156 WeakPolarHBondContact O-CB 3.45Å; T153-H156 PolarHBondContact O-N 2.92Å; T153-H156 PolarHBondContact OG1-N 3.49Å; T154-H156 VanDerWaalsContact C-N 3.26Å; H156-D158 VanDerWaalsContact C-N 3.32Å; H156-D158 PolarHBondContact CE1-O 2.81Å; H156-D158 PolarHBondContact ND1-N 3.1Å; H156-D158 PolarHBondContact ND1-O 3.28Å; H156-D158 PolarHBondContact O-N 3.49Å; H156-P159 WeakPolarHBondContact O-CD 3.25Å |
| 157 | P | 85.3 | Confident | 91.7 | Very high | 128 Ų | 128 | 36.2 Ų | 36.2 | 83% | 0.831 | 20% | 0.195 | S | C | * | . | S | Bend | trans | -63.6 | -33.6 | -170.8 | 23.8 | -35 | 0 | 0 | 0 | 113.9 | ||
| 158 | D | 88.7 | Confident | 91.4 | Very high | 73 Ų | 73 | 41.8 Ų | 41.8 | 39% | 0.39 | 22% | 0.221 | S | C | . | . | trans | -139 | 89.3 | 174.5 | -176 | -12.9 | 0 | 0 | 0 | 110 | H156 I160 R161 G162 | H156-D158 VanDerWaalsContact C-N 3.32Å; H156-D158 PolarHBondContact CE1-O 2.81Å; H156-D158 PolarHBondContact ND1-N 3.1Å; H156-D158 PolarHBondContact ND1-O 3.28Å; H156-D158 PolarHBondContact O-N 3.49Å; D158-I160 VanDerWaalsContact C-N 3.28Å; D158-I160 PolarHBondContact O-N 2.84Å; D158-I160 PolarHBondContact OD1-N 3.45Å; D158-R161 HydrophobicContact CB-CB 4.04Å; D158-R161 VanDerWaalsContact CG-CB 3.41Å; D158-R161 PolarHBondContact O-N 3.03Å; D158-R161 PolarHBondContact OD1-N 3.4Å; D158-R161 VanDerWaalsContact OD1-N 3.08Å; D158-R161 VanDerWaalsContact OD2-CB 3.29Å; D158-R161 WeakPolarHBondContact OD2-CB 3.38Å; D158-G162 PolarHBondContact O-N 2.88Å | ||
| 159 | P | 89.2 | Confident | 91.1 | Very high | 14 Ų | 14 | 44.1 Ų | 44.1 | 9% | 0.091 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.7 | -31.6 | -176.3 | -26.1 | 36.9 | 0 | 0 | 0 | 113.6 | L152 H156 G162 F163 L195 I211 | L152-P159 HydrophobicContact CD1-CB 4.47Å; L152-P159 VanDerWaalsContact CD1-O 3.26Å; L152-P159 WeakPolarHBondContact CD1-O 3.32Å; H156-P159 WeakPolarHBondContact O-CD 3.25Å; P159-G162 PolarHBondContact O-N 2.82Å; P159-F163 WeakPolarHBondContact O-CD2 3.46Å; P159-F163 PolarHBondContact O-N 3.21Å; P159-L195 HydrophobicContact CB-CD1 4.49Å; P159-I211 HydrophobicContact CB-CG2 4.22Å; P159-I211 HydrophobicContact CG-CG2 3.8Å |
| 160 | I | 91.7 | Very high | 90.7 | Very high | 37 Ų | 37 | 44.1 Ų | 44.1 | 19% | 0.19 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -68.8 | -46.1 | -179.6 | -60.8 | -60.7 | 0 | 0 | 0 | 110.3 | D158 F163 T164 Q214 V215 T218 F219 | D158-I160 VanDerWaalsContact C-N 3.28Å; D158-I160 PolarHBondContact O-N 2.84Å; D158-I160 PolarHBondContact OD1-N 3.45Å; I160-F163 PolarHBondContact O-N 3.14Å; I160-T164 WeakPolarHBondContact O-CB 3.47Å; I160-T164 PolarHBondContact O-N 2.91Å; I160-T164 PolarHBondContact O-OG1 2.97Å; I160-Q214 HydrophobicContact CD1-CB 4.3Å; I160-V215 HydrophobicContact CD1-CB 4.35Å; I160-V215 HydrophobicContact CD1-CG2 3.8Å; I160-T218 HydrophobicContact CG2-CG2 4.21Å; I160-F219 HydrophobicContact CD1-CE2 4.25Å |
| 161 | R | 92 | Very high | 90.2 | Very high | 157 Ų | 157 | 45.6 Ų | 45.6 | 59% | 0.592 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -62.2 | -45.9 | 173.7 | -179.8 | 177.4 | 169.2 | 178.4 | -3.9 | 111.4 | D158 F163 T164 E165 | D158-R161 HydrophobicContact CB-CB 4.04Å; D158-R161 VanDerWaalsContact CG-CB 3.41Å; D158-R161 PolarHBondContact O-N 3.03Å; D158-R161 PolarHBondContact OD1-N 3.4Å; D158-R161 VanDerWaalsContact OD1-N 3.08Å; D158-R161 VanDerWaalsContact OD2-CB 3.29Å; D158-R161 WeakPolarHBondContact OD2-CB 3.38Å; R161-F163 VanDerWaalsContact C-N 3.34Å; R161-F163 PolarHBondContact O-N 3.38Å; R161-T164 WeakPolarHBondContact O-CB 3.43Å; R161-T164 PolarHBondContact O-N 3.05Å; R161-T164 VanDerWaalsContact O-N 3.11Å; R161-E165 HydrophobicContact CG-CG 4.33Å; R161-E165 IonicContact CZ-OE1 3.53Å; R161-E165 IonicContact NE-OE1 3.65Å; R161-E165 PolarHBondContact NE-OE1 3.35Å; R161-E165 IonicContact NH2-OE1 2.68Å; R161-E165 PolarHBondContact NH2-OE1 3.43Å; R161-E165 VanDerWaalsContact NH2-OE1 3.1Å; R161-E165 WeakPolarHBondContact O-CG 3.3Å; R161-E165 PolarHBondContact O-N 2.86Å |
| 162 | G | 91.4 | Very high | 89.6 | Confident | 3 Ų | 3 | 49 Ų | 49 | 3% | 0.031 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -56.3 | -45.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | D158 P159 T164 E165 L166 | D158-G162 PolarHBondContact O-N 2.88Å; P159-G162 PolarHBondContact O-N 2.82Å; G162-T164 VanDerWaalsContact C-N 3.3Å; G162-T164 PolarHBondContact O-N 3.21Å; G162-E165 PolarHBondContact O-N 3.46Å; G162-L166 WeakPolarHBondContact O-CG 3.42Å; G162-L166 PolarHBondContact O-N 2.77Å |
| 163 | F | 95.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -67.2 | -35.4 | 178.9 | -80.8 | -52.6 | 0 | 0 | 0 | 111.7 | F150 L152 P159 I160 R161 T167 Y193 V194 L195 V215 F219 | F150-F163 HydrophobicContact CB-CD1 3.88Å; F150-F163 HydrophobicContact CB-CE1 4.08Å; L152-F163 HydrophobicContact CB-CE1 3.93Å; L152-F163 HydrophobicContact CB-CE2 4.29Å; L152-F163 HydrophobicContact CB-CZ 3.78Å; L152-F163 HydrophobicContact CD1-CB 4.27Å; L152-F163 HydrophobicContact CD1-CD1 3.68Å; L152-F163 HydrophobicContact CD1-CD2 3.69Å; L152-F163 HydrophobicContact CD1-CE1 3.86Å; L152-F163 HydrophobicContact CD1-CE2 3.85Å; L152-F163 HydrophobicContact CD1-CG 3.58Å; L152-F163 HydrophobicContact CD1-CZ 3.94Å; L152-F163 HydrophobicContact CG-CD1 3.79Å; L152-F163 HydrophobicContact CG-CD2 4.48Å; L152-F163 HydrophobicContact CG-CE1 3.61Å; L152-F163 HydrophobicContact CG-CE2 4.32Å; L152-F163 HydrophobicContact CG-CG 4.23Å; L152-F163 HydrophobicContact CG-CZ 3.89Å; P159-F163 WeakPolarHBondContact O-CD2 3.46Å; P159-F163 PolarHBondContact O-N 3.21Å; I160-F163 PolarHBondContact O-N 3.14Å; R161-F163 VanDerWaalsContact C-N 3.34Å; R161-F163 PolarHBondContact O-N 3.38Å; F163-T167 VanDerWaalsContact O-CB 3.27Å; F163-T167 WeakPolarHBondContact O-CB 3.44Å; F163-T167 PolarHBondContact O-N 3.09Å; F163-T167 PolarHBondContact O-OG1 2.89Å; F163-Y193 HydrophobicContact CB-CD1 4.17Å; F163-Y193 HydrophobicContact CB-CE1 4.32Å; F163-Y193 AromaticContact CD1-CD1 3.69Å; F163-Y193 HydrophobicContact CD1-CD1 3.69Å; F163-Y193 HydrophobicContact CD1-CE1 4.45Å; F163-Y193 HydrophobicContact CE1-CD1 4.22Å; F163-Y193 AromaticContact CG-CD1 3.95Å; F163-Y193 HydrophobicContact CG-CD1 3.95Å; F163-V194 WeakPolarHBondContact CZ-O 3.45Å; F163-L195 HydrophobicContact CE2-CD1 4.4Å; F163-V215 HydrophobicContact CD2-CG1 4.16Å; F163-V215 HydrophobicContact CD2-CG2 4.19Å; F163-V215 HydrophobicContact CE2-CG1 3.86Å; F163-V215 HydrophobicContact CE2-CG2 3.92Å; F163-F219 HydrophobicContact CB-CD2 4.49Å; F163-F219 HydrophobicContact CB-CE1 4.42Å; F163-F219 HydrophobicContact CB-CE2 3.58Å; F163-F219 HydrophobicContact CB-CZ 3.54Å; F163-F219 HydrophobicContact CD2-CE2 4.09Å; F163-F219 HydrophobicContact CG-CE2 4.18Å |
| 164 | T | 93.4 | Very high | 88.1 | Confident | 68 Ų | 68 | 52.7 Ų | 52.7 | 42% | 0.417 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -65.1 | -45.1 | 176 | -55.4 | 0 | 0 | 0 | 0 | 111 | I160 R161 G162 T167 Q168 | I160-T164 WeakPolarHBondContact O-CB 3.47Å; I160-T164 PolarHBondContact O-N 2.91Å; I160-T164 PolarHBondContact O-OG1 2.97Å; R161-T164 WeakPolarHBondContact O-CB 3.43Å; R161-T164 PolarHBondContact O-N 3.05Å; R161-T164 VanDerWaalsContact O-N 3.11Å; G162-T164 VanDerWaalsContact C-N 3.3Å; G162-T164 PolarHBondContact O-N 3.21Å; T164-T167 PolarHBondContact O-N 3.15Å; T164-Q168 WeakPolarHBondContact O-CB 3.42Å; T164-Q168 PolarHBondContact O-N 3.5Å |
| 165 | E | 92.2 | Very high | 87.2 | Confident | 89 Ų | 89 | 57.7 Ų | 57.7 | 42% | 0.416 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.8 | -46 | 177.3 | -73 | 177.3 | 178.1 | 0 | 0 | 111.7 | R161 G162 T167 Q168 S169 | R161-E165 HydrophobicContact CG-CG 4.33Å; R161-E165 IonicContact CZ-OE1 3.53Å; R161-E165 IonicContact NE-OE1 3.65Å; R161-E165 PolarHBondContact NE-OE1 3.35Å; R161-E165 IonicContact NH2-OE1 2.68Å; R161-E165 PolarHBondContact NH2-OE1 3.43Å; R161-E165 VanDerWaalsContact NH2-OE1 3.1Å; R161-E165 WeakPolarHBondContact O-CG 3.3Å; R161-E165 PolarHBondContact O-N 2.86Å; G162-E165 PolarHBondContact O-N 3.46Å; E165-T167 VanDerWaalsContact C-N 3.33Å; E165-T167 PolarHBondContact O-N 2.8Å; E165-Q168 PolarHBondContact O-N 2.91Å; E165-S169 WeakPolarHBondContact O-CB 3.25Å; E165-S169 PolarHBondContact O-N 3.41Å |
| 166 | L | 89.2 | Confident | 86.1 | Confident | 32 Ų | 32 | 60.5 Ų | 60.5 | 17% | 0.168 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.1 | -40 | 175.3 | -66.4 | 177.8 | 0 | 0 | 0 | 111.8 | F150 L152 G162 Q168 S169 Q170 | F150-L166 HydrophobicContact CD1-CB 3.72Å; F150-L166 HydrophobicContact CE1-CB 4.3Å; F150-L166 WeakPolarHBondContact CE1-O 3.46Å; L152-L166 HydrophobicContact CD2-CD1 3.68Å; L152-L166 HydrophobicContact CG-CD1 4.19Å; G162-L166 WeakPolarHBondContact O-CG 3.42Å; G162-L166 PolarHBondContact O-N 2.77Å; L166-Q168 VanDerWaalsContact C-N 3.35Å; L166-S169 WeakPolarHBondContact O-CB 3.31Å; L166-S169 PolarHBondContact O-N 3.25Å; L166-Q170 PolarHBondContact O-N 3.38Å |
| 167 | T | 91.2 | Very high | 84.6 | Confident | 18 Ų | 18 | 63 Ų | 63 | 11% | 0.11 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64.9 | -38.7 | 176.5 | -59.4 | 0 | 0 | 0 | 0 | 111.9 | F163 T164 E165 S171 K191 Y193 | F163-T167 VanDerWaalsContact O-CB 3.27Å; F163-T167 WeakPolarHBondContact O-CB 3.44Å; F163-T167 PolarHBondContact O-N 3.09Å; F163-T167 PolarHBondContact O-OG1 2.89Å; T164-T167 PolarHBondContact O-N 3.15Å; E165-T167 VanDerWaalsContact C-N 3.33Å; E165-T167 PolarHBondContact O-N 2.8Å; T167-S171 PolarHBondContact O-N 3.5Å; T167-S171 VanDerWaalsContact O-N 3.09Å; T167-S171 PolarHBondContact O-OG 3.09Å; T167-K191 HydrophobicContact CG2-CD 3.95Å; T167-Y193 WeakPolarHBondContact OG1-CE1 3.41Å; T167-Y193 PolarHBondContact OG1-OH 2.91Å |
| 168 | Q | 89.5 | Confident | 83.2 | Confident | 116 Ų | 116 | 62.4 Ų | 62.4 | 54% | 0.542 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -68.7 | -41.1 | 175.4 | -172.1 | 177.7 | 8.9 | 0 | 0 | 111.1 | T164 E165 L166 Q170 S171 N172 | T164-Q168 WeakPolarHBondContact O-CB 3.42Å; T164-Q168 PolarHBondContact O-N 3.5Å; E165-Q168 PolarHBondContact O-N 2.91Å; L166-Q168 VanDerWaalsContact C-N 3.35Å; Q168-Q170 VanDerWaalsContact C-N 3.35Å; Q168-Q170 PolarHBondContact O-N 3.39Å; Q168-S171 PolarHBondContact O-N 3.36Å; Q168-N172 WeakPolarHBondContact O-CB 3.4Å; Q168-N172 VanDerWaalsContact O-CG 3.24Å; Q168-N172 PolarHBondContact O-N 3.22Å |
| 169 | S | 86.9 | Confident | 81.8 | Confident | 49 Ų | 49 | 61.7 Ų | 61.7 | 34% | 0.343 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -56.8 | -47.4 | 174.3 | -176.6 | 0 | 0 | 0 | 0 | 111.5 | E165 L166 S171 N172 Q173 | E165-S169 WeakPolarHBondContact O-CB 3.25Å; E165-S169 PolarHBondContact O-N 3.41Å; L166-S169 WeakPolarHBondContact O-CB 3.31Å; L166-S169 PolarHBondContact O-N 3.25Å; S169-S171 PolarHBondContact O-N 3.24Å; S169-N172 PolarHBondContact O-N 2.93Å; S169-Q173 WeakPolarHBondContact O-CG 3.29Å; S169-Q173 PolarHBondContact O-N 3.38Å |
| 170 | Q | 88.1 | Confident | 80.3 | Confident | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -58.1 | -46.6 | 174.4 | -173.4 | -84.8 | -45.3 | 0 | 0 | 112.4 | L23 C148 F150 L166 Q168 N172 Q173 Q174 W184 | L23-Q170 HydrophobicContact CD1-CB 3.58Å; L23-Q170 HydrophobicContact CD1-CG 4.13Å; C148-Q170 HydrophobicContact CB-CG 4.26Å; F150-Q170 HydrophobicContact CE1-CB 3.87Å; F150-Q170 HydrophobicContact CE1-CG 4.36Å; F150-Q170 HydrophobicContact CZ-CB 3.96Å; F150-Q170 HydrophobicContact CZ-CG 4.08Å; L166-Q170 PolarHBondContact O-N 3.38Å; Q168-Q170 VanDerWaalsContact C-N 3.35Å; Q168-Q170 PolarHBondContact O-N 3.39Å; Q170-N172 VanDerWaalsContact C-N 3.32Å; Q170-N172 PolarHBondContact O-N 3.12Å; Q170-Q173 PolarHBondContact O-N 2.99Å; Q170-Q174 WeakPolarHBondContact O-CB 3.33Å; Q170-Q174 PolarHBondContact O-N 3.5Å; Q170-W184 HydrophobicContact CG-CH2 3.63Å; Q170-W184 HydrophobicContact CG-CZ2 3.53Å |
| 171 | S | 84.1 | Confident | 78.8 | Confident | 32 Ų | 32 | 65.8 Ų | 65.8 | 22% | 0.224 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -66.1 | -37.1 | -178.9 | -52 | 0 | 0 | 0 | 0 | 111.2 | T167 Q168 S169 Q174 H175 K191 | T167-S171 PolarHBondContact O-N 3.5Å; T167-S171 VanDerWaalsContact O-N 3.09Å; T167-S171 PolarHBondContact O-OG 3.09Å; Q168-S171 PolarHBondContact O-N 3.36Å; S169-S171 PolarHBondContact O-N 3.24Å; S171-Q174 PolarHBondContact O-N 3.28Å; S171-H175 PolarHBondContact O-CD2 2.97Å; S171-H175 VanDerWaalsContact O-CD2 3.24Å; S171-H175 PolarHBondContact O-N 3.4Å; S171-H175 VanDerWaalsContact O-N 3.13Å; S171-K191 PolarHBondContact OG-NZ 2.72Å |
| 172 | N | 82.7 | Confident | 77.7 | Confident | 72 Ų | 72 | 59 Ų | 59 | 39% | 0.385 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -65.7 | -46.2 | 175.1 | -72.4 | -15.5 | 0 | 0 | 0 | 111.7 | Q168 S169 Q170 Q174 H175 H176 | Q168-N172 WeakPolarHBondContact O-CB 3.4Å; Q168-N172 VanDerWaalsContact O-CG 3.24Å; Q168-N172 PolarHBondContact O-N 3.22Å; S169-N172 PolarHBondContact O-N 2.93Å; Q170-N172 VanDerWaalsContact C-N 3.32Å; Q170-N172 PolarHBondContact O-N 3.12Å; N172-Q174 PolarHBondContact O-N 3.02Å; N172-H175 PolarHBondContact O-N 2.87Å; N172-H176 VanDerWaalsContact O-CB 3.32Å; N172-H176 WeakPolarHBondContact O-CB 3.43Å; N172-H176 PolarHBondContact O-N 2.95Å; N172-H176 PolarHBondContact O-ND1 3.17Å |
| 173 | Q | 77.5 | Confident | 77.1 | Confident | 54 Ų | 54 | 60.5 Ų | 60.5 | 25% | 0.252 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -59 | -37.4 | 176.4 | -73.8 | 175.7 | -15.8 | 0 | 0 | 112 | I75 S169 Q170 | I75-Q173 VanDerWaalsContact CG2-OE1 3.3Å; S169-Q173 WeakPolarHBondContact O-CG 3.29Å; S169-Q173 PolarHBondContact O-N 3.38Å; Q170-Q173 PolarHBondContact O-N 2.99Å |
| 174 | Q | 77.7 | Confident | 76.7 | Confident | 31 Ų | 31 | 61.6 Ų | 61.6 | 15% | 0.145 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -72.1 | -42.7 | -179.2 | -178.1 | 161.7 | 11.6 | 0 | 0 | 113.7 | Q170 S171 N172 W184 T186 E187 | Q170-Q174 WeakPolarHBondContact O-CB 3.33Å; Q170-Q174 PolarHBondContact O-N 3.5Å; S171-Q174 PolarHBondContact O-N 3.28Å; N172-Q174 PolarHBondContact O-N 3.02Å; Q174-W184 HydrophobicContact CB-CG 4.37Å; Q174-W184 HydrophobicContact CG-CB 4.31Å; Q174-W184 HydrophobicContact CG-CG 4.08Å; Q174-T186 PolarHBondContact NE2-O 3.08Å; Q174-E187 PolarHBondContact NE2-O 3.05Å; Q174-E187 PolarHBondContact OE1-O 3.38Å |
| 175 | H | 72.2 | Confident | 76.4 | Confident | 112 Ų | 112 | 58.6 Ų | 58.6 | 52% | 0.519 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -92.9 | -28.8 | -174 | -68 | -65.4 | 0 | 0 | 0 | 114.3 | S171 N172 | S171-H175 PolarHBondContact O-CD2 2.97Å; S171-H175 VanDerWaalsContact O-CD2 3.24Å; S171-H175 PolarHBondContact O-N 3.4Å; S171-H175 VanDerWaalsContact O-N 3.13Å; N172-H175 PolarHBondContact O-N 2.87Å |
| 176 | H | 60.8 | Low | 76 | Confident | 138 Ų | 138 | 55.4 Ų | 55.4 | 64% | 0.639 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -99.3 | -18.2 | -172.6 | -61.2 | 78.9 | 0 | 0 | 0 | 114.2 | N172 P178 | N172-H176 VanDerWaalsContact O-CB 3.32Å; N172-H176 WeakPolarHBondContact O-CB 3.43Å; N172-H176 PolarHBondContact O-N 2.95Å; N172-H176 PolarHBondContact O-ND1 3.17Å; H176-P178 WeakPolarHBondContact O-CD 3.43Å |
| 177 | L | 58.6 | Low | 75.5 | Confident | 101 Ų | 101 | 59.6 Ų | 59.6 | 53% | 0.529 | 32% | 0.323 | S | S | . | . | trans | -118.3 | 59.6 | 176.1 | -73.2 | 93.1 | 0 | 0 | 0 | 112.6 | G179 S180 | L177-G179 PolarHBondContact O-N 2.96Å; L177-S180 PolarHBondContact O-N 3.41Å | ||
| 178 | P | 55.8 | Low | 75.1 | Confident | 115 Ų | 115 | 65.3 Ų | 65.3 | 75% | 0.747 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | 125.7 | 172.5 | 27 | -32 | 0 | 0 | 0 | 110.2 | H176 | H176-P178 WeakPolarHBondContact O-CD 3.43Š|
| 179 | G | 58.1 | Low | 75.1 | Confident | 58 Ų | 58 | 60.2 Ų | 60.2 | 60% | 0.598 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 103 | -10 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | L177 | L177-G179 PolarHBondContact O-N 2.96Š|
| 180 | S | 57.9 | Low | 75.5 | Confident | 59 Ų | 59 | 58.6 Ų | 58.6 | 41% | 0.413 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -99.4 | 152.7 | 170.7 | -177.1 | 0 | 0 | 0 | 0 | 111.3 | L177 | L177-S180 PolarHBondContact O-N 3.41Š|
| 181 | R | 60.3 | Low | 75.8 | Confident | 77 Ų | 77 | 61.4 Ų | 61.4 | 29% | 0.291 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -60.9 | 146.7 | 163.9 | -82 | -167 | 165 | 156.1 | -7.3 | 109.8 | C78 L134 F183 | C78-R181 HydrophobicContact CB-CB 4.5Å; C78-R181 VanDerWaalsContact SG-CD 3.51Å; L134-R181 PolarHBondContact O-NH2 2.77Å; R181-F183 HydrophobicContact CB-CE2 4.32Å; R181-F183 HydrophobicContact CG-CD2 3.56Å; R181-F183 HydrophobicContact CG-CE2 3.33Å; R181-F183 HydrophobicContact CG-CZ 4.33Å |
| 182 | P | 68.4 | Low | 76.4 | Confident | 16 Ų | 16 | 59.9 Ų | 59.9 | 10% | 0.104 | 32% | 0.319 | C | S | . | . | S | Bend | cis | -77.4 | 145.5 | 0.1 | 33.3 | -38.7 | 0 | 0 | 0 | 114 | I75 W184 | I75-P182 HydrophobicContact CG1-CB 4.3Å; I75-P182 HydrophobicContact CG1-CG 4.4Å; I75-P182 HydrophobicContact CG2-CB 4.31Å; I75-P182 HydrophobicContact CG2-CG 3.68Å; P182-W184 HydrophobicContact CB-CZ2 4.42Å; P182-W184 HydrophobicContact CG-CZ2 3.91Å |
| 183 | F | 79.6 | Confident | 77 | Confident | 33 Ų | 33 | 57.1 Ų | 57.1 | 15% | 0.145 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -92.9 | 126.1 | 175 | -63.7 | -74.4 | 0 | 0 | 0 | 110.9 | Q135 P136 N145 R181 | Q135-F183 HydrophobicContact CG-CE2 3.96Å; Q135-F183 HydrophobicContact CG-CZ 4.21Å; P136-F183 HydrophobicContact CB-CD2 3.9Å; P136-F183 HydrophobicContact CB-CE2 4.26Å; P136-F183 HydrophobicContact CB-CG 4.37Å; P136-F183 HydrophobicContact CG-CD2 3.55Å; P136-F183 HydrophobicContact CG-CE2 4.03Å; P136-F183 HydrophobicContact CG-CG 4.35Å; N145-F183 PolarHBondContact N-O 3.21Å; R181-F183 HydrophobicContact CB-CE2 4.32Å; R181-F183 HydrophobicContact CG-CD2 3.56Å; R181-F183 HydrophobicContact CG-CE2 3.33Å; R181-F183 HydrophobicContact CG-CZ 4.33Å |
| 184 | W | 86.6 | Confident | 77.9 | Confident | 24 Ų | 24 | 54.6 Ų | 54.6 | 9% | 0.091 | 29% | 0.291 | C | S | . | . | B | Isolated β-bridge | trans | -105 | 135.2 | -176.3 | -61.4 | 105.7 | 0 | 0 | 0 | 111.5 | I75 H144 N145 C148 Q170 Q174 P182 T186 V189 | I75-W184 HydrophobicContact CD1-CH2 3.42Å; I75-W184 VanDerWaalsContact CD1-CH2 3.42Å; I75-W184 HydrophobicContact CD1-CZ2 3.82Å; I75-W184 HydrophobicContact CD1-CZ3 4.42Å; H144-W184 PolarHBondContact CD2-O 2.82Å; N145-W184 HydrophobicContact CB-CE3 3.6Å; N145-W184 HydrophobicContact CB-CZ3 3.78Å; C148-W184 HydrophobicContact CB-CH2 3.67Å; C148-W184 HydrophobicContact CB-CZ3 3.76Å; Q170-W184 HydrophobicContact CG-CH2 3.63Å; Q170-W184 HydrophobicContact CG-CZ2 3.53Å; Q174-W184 HydrophobicContact CB-CG 4.37Å; Q174-W184 HydrophobicContact CG-CB 4.31Å; Q174-W184 HydrophobicContact CG-CG 4.08Å; P182-W184 HydrophobicContact CB-CZ2 4.42Å; P182-W184 HydrophobicContact CG-CZ2 3.91Å; W184-T186 PolarHBondContact O-N 3.21Å; W184-V189 HydrophobicContact CB-CG1 3.85Å; W184-V189 HydrophobicContact CD2-CG1 4.23Å; W184-V189 HydrophobicContact CD2-CG2 4.49Å; W184-V189 HydrophobicContact CE3-CB 4.17Å; W184-V189 HydrophobicContact CE3-CG1 3.71Å; W184-V189 HydrophobicContact CE3-CG2 3.89Å; W184-V189 HydrophobicContact CG-CG1 4.35Å; W184-V189 HydrophobicContact CZ3-CG2 4.04Å |
| 185 | F | 88.3 | Confident | 78.7 | Confident | 4 Ų | 4 | 53.1 Ų | 53.1 | 2% | 0.018 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -69.2 | -31.2 | -173.8 | -174.7 | -94.6 | 0 | 0 | 0 | 113.9 | F141 H144 N145 L146 W397 T401 R521 L525 | F141-F185 HydrophobicContact CB-CD2 3.97Å; F141-F185 HydrophobicContact CB-CE2 3.69Å; H144-F185 HydrophobicContact CB-CB 3.98Å; H144-F185 HydrophobicContact CB-CD2 4.19Å; N145-F185 WeakPolarHBondContact O-CB 3.24Å; N145-F185 PolarHBondContact O-N 3.31Å; L146-F185 HydrophobicContact CD2-CB 3.69Å; L146-F185 HydrophobicContact CD2-CD1 4.16Å; L146-F185 HydrophobicContact CD2-CD2 3.76Å; L146-F185 HydrophobicContact CD2-CE2 4.45Å; L146-F185 HydrophobicContact CD2-CG 3.6Å; F185-W397 HydrophobicContact CD1-CH2 4.13Å; F185-T401 HydrophobicContact CE1-CG2 4.13Å; F185-R521 HydrophobicContact CE2-CB 4.28Å; F185-R521 HydrophobicContact CE2-CG 4.43Å; F185-R521 HydrophobicContact CZ-CB 3.77Å; F185-R521 HydrophobicContact CZ-CG 4.27Å; F185-R521 PolarHBondContact O-NE 3.4Å; F185-R521 PolarHBondContact O-NH2 2.76Å; F185-L525 HydrophobicContact CD1-CD1 4.21Å; F185-L525 HydrophobicContact CE1-CD1 3.61Å; F185-L525 HydrophobicContact CE2-CD1 4.18Å; F185-L525 HydrophobicContact CZ-CB 4Å; F185-L525 HydrophobicContact CZ-CD1 3.59Å; F185-L525 HydrophobicContact CZ-CG 4.41Å |
| 186 | T | 83.2 | Confident | 79.7 | Confident | 23 Ų | 23 | 47.8 Ų | 47.8 | 14% | 0.141 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -143 | 154.3 | -179.8 | 48.9 | 0 | 0 | 0 | 0 | 109.5 | Q174 W184 N188 V189 W397 T401 | Q174-T186 PolarHBondContact NE2-O 3.08Å; W184-T186 PolarHBondContact O-N 3.21Å; T186-N188 PolarHBondContact O-N 3.29Å; T186-N188 VanDerWaalsContact OG1-C 3.32Å; T186-N188 PolarHBondContact OG1-O 3.31Å; T186-V189 WeakPolarHBondContact O-CG1 3.44Å; T186-V189 PolarHBondContact OG1-N 3.46Å; T186-W397 HydrophobicContact CG2-CZ2 4.39Å; T186-T401 HydrophobicContact CG2-CG2 4.48Å |
| 187 | E | 78.3 | Confident | 81.2 | Confident | 119 Ų | 119 | 41.5 Ų | 41.5 | 56% | 0.556 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -52.1 | -37.5 | 169.3 | -63.6 | -175.1 | 168 | 0 | 0 | 112.9 | Q174 | Q174-E187 PolarHBondContact NE2-O 3.05Å; Q174-E187 PolarHBondContact OE1-O 3.38Å |
| 188 | N | 82.9 | Confident | 82.5 | Confident | 139 Ų | 139 | 37.3 Ų | 37.3 | 74% | 0.743 | 21% | 0.209 | S | C | * | . | S | Bend | trans | -107.7 | 73.9 | 177.4 | -69.2 | -36 | 0 | 0 | 0 | 112 | T186 | T186-N188 PolarHBondContact O-N 3.29Å; T186-N188 VanDerWaalsContact OG1-C 3.32Å; T186-N188 PolarHBondContact OG1-O 3.31Å |
| 189 | V | 89.9 | Confident | 83.8 | Confident | 9 Ų | 9 | 32.9 Ų | 32.9 | 6% | 0.055 | 18% | 0.184 | C | C | . | . | trans | -65.7 | 156.3 | 176.2 | -63.1 | 0 | 0 | 0 | 0 | 112.9 | W184 T186 K191 | W184-V189 HydrophobicContact CB-CG1 3.85Å; W184-V189 HydrophobicContact CD2-CG1 4.23Å; W184-V189 HydrophobicContact CD2-CG2 4.49Å; W184-V189 HydrophobicContact CE3-CB 4.17Å; W184-V189 HydrophobicContact CE3-CG1 3.71Å; W184-V189 HydrophobicContact CE3-CG2 3.89Å; W184-V189 HydrophobicContact CG-CG1 4.35Å; W184-V189 HydrophobicContact CZ3-CG2 4.04Å; T186-V189 WeakPolarHBondContact O-CG1 3.44Å; T186-V189 PolarHBondContact OG1-N 3.46Å; V189-K191 PolarHBondContact O-N 3.32Å | ||
| 190 | L | 93.9 | Very high | 84.8 | Confident | 14 Ų | 14 | 32.1 Ų | 32.1 | 7% | 0.073 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 125.5 | 175.1 | 174.3 | 63.8 | 0 | 0 | 0 | 110.5 | L146 A147 C148 F389 A393 L394 W397 | L146-L190 PolarHBondContact O-N 2.99Å; A147-L190 CarbonylContact C-O 3.55Å; A147-L190 VanDerWaalsContact CA-O 3.24Å; A147-L190 WeakPolarHBondContact CA-O 3.35Å; A147-L190 HydrophobicContact CB-CB 3.77Å; A147-L190 HydrophobicContact CB-CD2 3.98Å; A147-L190 HydrophobicContact CB-CG 4.07Å; C148-L190 PolarHBondContact N-O 2.94Å; L190-F389 HydrophobicContact CD2-CE2 4.21Å; L190-A393 HydrophobicContact CD1-CB 4.41Å; L190-A393 HydrophobicContact CD2-CB 4.07Å; L190-L394 HydrophobicContact CD2-CB 4.25Å; L190-L394 HydrophobicContact CD2-CD1 4.12Å; L190-W397 HydrophobicContact CB-CB 4.47Å; L190-W397 HydrophobicContact CB-CD2 3.99Å; L190-W397 HydrophobicContact CB-CG 3.88Å; L190-W397 HydrophobicContact CD1-CB 4.24Å; L190-W397 HydrophobicContact CD1-CG 4.29Å; L190-W397 HydrophobicContact CD2-CB 4.12Å; L190-W397 HydrophobicContact CD2-CG 4.4Å; L190-W397 HydrophobicContact CG-CG 4.42Å |
| 191 | K | 94.6 | Very high | 85.9 | Confident | 60 Ų | 60 | 30.8 Ų | 30.8 | 26% | 0.261 | 16% | 0.16 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 122 | 178.1 | -64.4 | -176.1 | 177.5 | -174.3 | 0 | 109.5 | F150 T167 S171 V189 Y193 | F150-K191 HydrophobicContact CE2-CB 3.85Å; F150-K191 HydrophobicContact CE2-CD 4.37Å; F150-K191 HydrophobicContact CE2-CG 3.94Å; F150-K191 HydrophobicContact CZ-CG 4.43Å; T167-K191 HydrophobicContact CG2-CD 3.95Å; S171-K191 PolarHBondContact OG-NZ 2.72Å; V189-K191 PolarHBondContact O-N 3.32Å; K191-Y193 HydrophobicContact CB-CE2 4.08Å |
| 192 | F | 96.5 | Very high | 86.8 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 136.9 | -179.4 | -161.2 | -97 | 0 | 0 | 0 | 110.8 | C148 I149 F150 V194 N223 H225 F385 F389 A393 | C148-F192 PolarHBondContact O-N 3.08Å; I149-F192 CarbonylContact C-O 3.49Å; I149-F192 VanDerWaalsContact CA-O 3.32Å; I149-F192 WeakPolarHBondContact CA-O 3.19Å; I149-F192 HydrophobicContact CG1-CB 4.33Å; F150-F192 WeakPolarHBondContact CD2-O 3.48Å; F150-F192 PolarHBondContact N-O 2.81Å; F192-V194 HydrophobicContact CD1-CG2 3.97Å; F192-V194 HydrophobicContact CE1-CG2 4.12Å; F192-N223 HydrophobicContact CD2-CB 4.49Å; F192-N223 WeakPolarHBondContact CD2-O 3.47Å; F192-H225 HydrophobicContact CE1-CB 3.78Å; F192-H225 HydrophobicContact CZ-CB 4.04Å; F192-F385 HydrophobicContact CD1-CE2 4.39Å; F192-F385 AromaticContact CE1-CE2 3.94Å; F192-F385 HydrophobicContact CE1-CE2 3.94Å; F192-F389 HydrophobicContact CB-CD2 3.95Å; F192-F389 HydrophobicContact CB-CE2 3.84Å; F192-F389 AromaticContact CD1-CD2 3.69Å; F192-F389 HydrophobicContact CD1-CD2 3.69Å; F192-F389 HydrophobicContact CD1-CE2 4.42Å; F192-F389 AromaticContact CD2-CD2 3.82Å; F192-F389 HydrophobicContact CD2-CD2 3.82Å; F192-F389 HydrophobicContact CD2-CE2 4.35Å; F192-F389 HydrophobicContact CE1-CB 4.19Å; F192-F389 HydrophobicContact CE1-CD2 4.09Å; F192-F389 HydrophobicContact CE2-CD2 4.21Å; F192-F389 AromaticContact CG-CD2 3.53Å; F192-F389 HydrophobicContact CG-CD2 3.53Å; F192-F389 AromaticContact CG-CE2 3.97Å; F192-F389 HydrophobicContact CG-CE2 3.97Å; F192-F389 HydrophobicContact CZ-CB 4.3Å; F192-F389 HydrophobicContact CZ-CD2 4.33Å; F192-A393 HydrophobicContact CD2-CB 3.56Å; F192-A393 HydrophobicContact CE2-CB 3.62Å |
| 193 | Y | 96.5 | Very high | 87.5 | Confident | 14 Ų | 14 | 36 Ų | 36 | 6% | 0.055 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 121.8 | -167.7 | -59.9 | -88.9 | 0 | 0 | 0 | 110.5 | F150 F163 T167 K191 F219 N223 C224 H225 | F150-Y193 HydrophobicContact CB-CD1 4.05Å; F150-Y193 HydrophobicContact CB-CE1 4.42Å; F150-Y193 AromaticContact CD2-CD1 3.97Å; F150-Y193 HydrophobicContact CD2-CD1 3.97Å; F150-Y193 AromaticContact CD2-CE1 3.72Å; F150-Y193 HydrophobicContact CD2-CE1 3.72Å; F150-Y193 HydrophobicContact CE2-CE1 4.31Å; F150-Y193 HydrophobicContact CG-CD1 4.29Å; F150-Y193 HydrophobicContact CG-CE1 4.2Å; F163-Y193 HydrophobicContact CB-CD1 4.17Å; F163-Y193 HydrophobicContact CB-CE1 4.32Å; F163-Y193 AromaticContact CD1-CD1 3.69Å; F163-Y193 HydrophobicContact CD1-CD1 3.69Å; F163-Y193 HydrophobicContact CD1-CE1 4.45Å; F163-Y193 HydrophobicContact CE1-CD1 4.22Å; F163-Y193 AromaticContact CG-CD1 3.95Å; F163-Y193 HydrophobicContact CG-CD1 3.95Å; T167-Y193 WeakPolarHBondContact OG1-CE1 3.41Å; T167-Y193 PolarHBondContact OG1-OH 2.91Å; K191-Y193 HydrophobicContact CB-CE2 4.08Å; Y193-F219 HydrophobicContact CD1-CB 4.49Å; Y193-F219 HydrophobicContact CD1-CD1 4.3Å; Y193-F219 HydrophobicContact CD1-CD2 4.31Å; Y193-F219 HydrophobicContact CD1-CG 4.11Å; Y193-F219 HydrophobicContact CD2-CB 3.6Å; Y193-F219 HydrophobicContact CD2-CD1 4.49Å; Y193-F219 HydrophobicContact CD2-CG 4.09Å; Y193-F219 HydrophobicContact CE1-CB 4.49Å; Y193-F219 AromaticContact CE1-CD1 3.68Å; Y193-F219 HydrophobicContact CE1-CD1 3.68Å; Y193-F219 HydrophobicContact CE1-CD2 4.44Å; Y193-F219 AromaticContact CE1-CE1 3.95Å; Y193-F219 HydrophobicContact CE1-CE1 3.95Å; Y193-F219 AromaticContact CE1-CG 3.95Å; Y193-F219 HydrophobicContact CE1-CG 3.95Å; Y193-F219 HydrophobicContact CE1-CZ 4.45Å; Y193-F219 HydrophobicContact CE2-CB 3.62Å; Y193-F219 AromaticContact CE2-CD1 3.91Å; Y193-F219 HydrophobicContact CE2-CD1 3.91Å; Y193-F219 AromaticContact CE2-CG 3.94Å; Y193-F219 HydrophobicContact CE2-CG 3.94Å; Y193-F219 HydrophobicContact CG-CB 4.07Å; Y193-F219 HydrophobicContact CG-CD2 4.49Å; Y193-F219 HydrophobicContact CG-CG 4.18Å; Y193-F219 AromaticContact CZ-CD1 3.45Å; Y193-F219 VanDerWaalsContact CZ-CD1 3.45Å; Y193-F219 AromaticContact CZ-CG 3.86Å; Y193-N223 HydrophobicContact CD2-CB 4.35Å; Y193-N223 PolarHBondContact N-O 3.32Å; Y193-C224 CarbonylContact O-C 3.54Å; Y193-C224 VanDerWaalsContact O-CA 3.25Å; Y193-C224 WeakPolarHBondContact O-CA 3.04Å; Y193-H225 PolarHBondContact O-N 3.37Å |
| 194 | V | 95.8 | Very high | 87.7 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 118.7 | -178.1 | -178.7 | 0 | 0 | 0 | 0 | 109.2 | I149 F150 V151 L152 F163 F192 H225 L227 F385 | I149-V194 HydrophobicContact CG2-CB 4.36Å; I149-V194 HydrophobicContact CG2-CG2 3.54Å; F150-V194 PolarHBondContact O-N 2.97Å; V151-V194 WeakPolarHBondContact CA-O 3.34Å; V151-V194 HydrophobicContact CG1-CB 4.32Å; V151-V194 HydrophobicContact CG1-CG1 4.29Å; V151-V194 HydrophobicContact CG2-CB 4.39Å; L152-V194 PolarHBondContact N-O 2.93Å; L152-V194 VanDerWaalsContact N-O 3.13Å; F163-V194 WeakPolarHBondContact CZ-O 3.45Å; F192-V194 HydrophobicContact CD1-CG2 3.97Å; F192-V194 HydrophobicContact CE1-CG2 4.12Å; V194-H225 WeakPolarHBondContact CA-O 3.48Å; V194-L227 HydrophobicContact CG1-CB 4.15Å; V194-F385 HydrophobicContact CG1-CE2 4.45Å; V194-F385 HydrophobicContact CG2-CD2 4.27Å; V194-F385 HydrophobicContact CG2-CE2 3.34Å; V194-F385 HydrophobicContact CG2-CZ 3.65Å |
| 195 | L | 94.6 | Very high | 87.7 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 117 | 171.1 | -172.2 | 63.8 | 0 | 0 | 0 | 108.2 | L152 T154 P159 F163 I211 F212 H225 L226 L227 | L152-L195 HydrophobicContact CB-CD1 4.48Å; T154-L195 HydrophobicContact CG2-CD1 4.19Å; T154-L195 HydrophobicContact CG2-CD2 3.97Å; T154-L195 HydrophobicContact CG2-CG 3.8Å; P159-L195 HydrophobicContact CB-CD1 4.49Å; F163-L195 HydrophobicContact CE2-CD1 4.4Å; L195-I211 HydrophobicContact CD2-CG2 3.86Å; L195-F212 HydrophobicContact CB-CD2 4.27Å; L195-F212 HydrophobicContact CD2-CB 4.11Å; L195-F212 HydrophobicContact CD2-CD2 4.21Å; L195-H225 PolarHBondContact N-O 3.07Å; L195-L226 HydrophobicContact CB-CD1 4.2Å; L195-L226 HydrophobicContact CD2-CD1 4.19Å; L195-L226 HydrophobicContact CG-CD1 4.22Å; L195-L226 WeakPolarHBondContact O-CA 3.39Å; L195-L227 PolarHBondContact O-N 3.41Å |
| 196 | L | 93.3 | Very high | 87.6 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 122 | -179.7 | -172 | 62.8 | 0 | 0 | 0 | 109.8 | V28 L31 F39 V151 L152 T153 T154 L227 I229 | V28-L196 HydrophobicContact CB-CD2 4.47Å; V28-L196 HydrophobicContact CG1-CD2 3.69Å; V28-L196 HydrophobicContact CG2-CD2 4.41Å; L31-L196 HydrophobicContact CD2-CD2 3.71Å; L31-L196 HydrophobicContact CD2-CG 4Å; F39-L196 HydrophobicContact CD2-CD2 4.5Å; V151-L196 HydrophobicContact CG1-CB 4.47Å; L152-L196 PolarHBondContact O-N 3Å; T153-L196 CarbonylContact C-O 3.56Å; T153-L196 WeakPolarHBondContact CA-O 3.44Å; T154-L196 PolarHBondContact N-O 2.8Å; L196-L227 CarbonylContact C-O 3.5Å; L196-L227 WeakPolarHBondContact CA-O 3.44Å; L196-L227 HydrophobicContact CD1-CB 4.02Å; L196-L227 HydrophobicContact CD1-CD2 3.86Å; L196-L227 HydrophobicContact CD1-CG 3.78Å; L196-L227 WeakPolarHBondContact CD1-O 3.46Å; L196-I229 HydrophobicContact CD1-CD1 3.85Å; L196-I229 HydrophobicContact CD1-CG1 3.78Å; L196-I229 HydrophobicContact CD1-CG2 4.24Å; L196-I229 HydrophobicContact CD2-CD1 4.02Å; L196-I229 HydrophobicContact CG-CD1 4.22Å; L196-I229 HydrophobicContact CG-CG1 4.29Å |
| 197 | H | 91.5 | Very high | 87.9 | Confident | 6 Ų | 6 | 49.9 Ų | 49.9 | 3% | 0.028 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 125 | 177.1 | -177.7 | 51.7 | 0 | 0 | 0 | 110 | T154 G199 S201 V208 L226 L227 T228 I229 | T154-H197 HydrophobicContact CG2-CB 3.67Å; T154-H197 PolarHBondContact OG1-ND1 2.87Å; H197-G199 PolarHBondContact O-N 2.95Å; H197-S201 PolarHBondContact CE1-OG 2.83Å; H197-V208 HydrophobicContact CB-CG1 4.38Å; H197-V208 VanDerWaalsContact CE1-CG2 3.45Å; H197-V208 WeakPolarHBondContact CE1-CG2 3.28Å; H197-L226 HydrophobicContact CB-CD1 4.25Å; H197-L227 PolarHBondContact N-O 2.82Å; H197-T228 HydrophobicContact CB-CG2 4.45Å; H197-T228 WeakPolarHBondContact O-CA 3.45Å; H197-I229 PolarHBondContact O-N 3.06Å |
| 198 | D | 86.9 | Confident | 88.4 | Confident | 14 Ų | 14 | 44.2 Ų | 44.2 | 8% | 0.075 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 106.5 | 167.1 | -174.6 | -0.6 | 0 | 0 | 0 | 108.3 | L31 R34 S200 S201 I229 T231 | L31-D198 HydrophobicContact CD1-CB 3.92Å; L31-D198 WeakPolarHBondContact CD1-OD2 3.39Å; L31-D198 HydrophobicContact CD2-CB 4.15Å; R34-D198 IonicContact NH1-OD2 3.2Å; R34-D198 PolarHBondContact NH1-OD2 2.97Å; D198-S200 PolarHBondContact O-N 2.96Å; D198-S200 VanDerWaalsContact O-N 3.12Å; D198-S200 WeakPolarHBondContact OD1-CB 3.45Å; D198-S200 PolarHBondContact OD1-N 3.08Å; D198-S200 PolarHBondContact OD1-OG 3.26Å; D198-S200 PolarHBondContact OD2-OG 2.8Å; D198-S200 VanDerWaalsContact OD2-OG 3.11Å; D198-S201 WeakPolarHBondContact O-CB 3.39Å; D198-S201 PolarHBondContact O-N 3.48Å; D198-S201 PolarHBondContact O-OG 2.94Å; D198-I229 CarbonylContact C-O 3.51Å; D198-I229 WeakPolarHBondContact CA-O 3.43Å; D198-T231 PolarHBondContact OD1-OG1 3.09Å; D198-T231 PolarHBondContact OD2-OG1 3.22Å |
| 199 | G | 82 | Confident | 88.8 | Confident | 21 Ų | 21 | 40.7 Ų | 40.7 | 22% | 0.216 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -13.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | H197 S201 I229 F230 | H197-G199 PolarHBondContact O-N 2.95Å; G199-S201 VanDerWaalsContact C-N 3.35Å; G199-I229 PolarHBondContact N-O 2.9Å; G199-F230 VanDerWaalsContact C-CD1 3.42Å; G199-F230 VanDerWaalsContact O-CE1 3.22Å; G199-F230 WeakPolarHBondContact O-CE1 3.46Å |
| 200 | S | 79 | Confident | 89 | Confident | 42 Ų | 42 | 45.8 Ų | 45.8 | 29% | 0.294 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86 | -5.5 | 171.5 | 72.2 | 0 | 0 | 0 | 0 | 114.1 | D198 S232 | D198-S200 PolarHBondContact O-N 2.96Å; D198-S200 VanDerWaalsContact O-N 3.12Å; D198-S200 WeakPolarHBondContact OD1-CB 3.45Å; D198-S200 PolarHBondContact OD1-N 3.08Å; D198-S200 PolarHBondContact OD1-OG 3.26Å; D198-S200 PolarHBondContact OD2-OG 2.8Å; D198-S200 VanDerWaalsContact OD2-OG 3.11Å; S200-S232 WeakPolarHBondContact CB-OG 3.26Å; S200-S232 PolarHBondContact OG-OG 2.86Å |
| 201 | S | 82.1 | Confident | 88.8 | Confident | 31 Ų | 31 | 46.6 Ų | 46.6 | 22% | 0.217 | 25% | 0.25 | C | C | . | . | S | Bend | trans | -70.4 | 155.8 | 176.6 | 70.9 | 0 | 0 | 0 | 0 | 112.1 | H197 D198 G199 I203 | H197-S201 PolarHBondContact CE1-OG 2.83Å; D198-S201 WeakPolarHBondContact O-CB 3.39Å; D198-S201 PolarHBondContact O-N 3.48Å; D198-S201 PolarHBondContact O-OG 2.94Å; G199-S201 VanDerWaalsContact C-N 3.35Å; S201-I203 PolarHBondContact O-N 3.49Å |
| 202 | N | 79 | Confident | 88.8 | Confident | 161 Ų | 161 | 44.9 Ų | 44.9 | 86% | 0.861 | 24% | 0.242 | S | C | * | . | S | Bend | trans | -79.7 | 8.1 | 176.7 | 63.5 | -5.2 | 0 | 0 | 0 | 113.7 | K204 | N202-K204 PolarHBondContact O-N 3.16Š|
| 203 | I | 82.6 | Confident | 88.7 | Confident | 42 Ų | 42 | 48.7 Ų | 48.7 | 22% | 0.215 | 26% | 0.263 | C | S | . | . | trans | -75.2 | 123.6 | -179.5 | -56 | 172.6 | 0 | 0 | 0 | 108.4 | S201 Q205 C207 V208 | S201-I203 PolarHBondContact O-N 3.49Å; I203-Q205 PolarHBondContact O-N 3.26Å; I203-C207 HydrophobicContact CG2-CB 4.09Å; I203-V208 HydrophobicContact CB-CG2 4.47Å; I203-V208 HydrophobicContact CG2-CG2 3.76Å | ||
| 204 | K | 84.3 | Confident | 88.6 | Confident | 160 Ų | 160 | 53.1 Ų | 53.1 | 70% | 0.696 | 28% | 0.283 | S | S | * | . | trans | -61.4 | 137.4 | 176.9 | -64.3 | 179.4 | -177.9 | 176.7 | 0 | 110.5 | N202 S206 C207 V208 | N202-K204 PolarHBondContact O-N 3.16Å; K204-S206 PolarHBondContact O-N 3.36Å; K204-S206 VanDerWaalsContact O-N 3.12Å; K204-C207 VanDerWaalsContact O-CB 3.29Å; K204-C207 WeakPolarHBondContact O-CB 3.47Å; K204-C207 PolarHBondContact O-N 2.92Å; K204-V208 PolarHBondContact O-N 3.42Å | ||
| 205 | Q | 86 | Confident | 88.4 | Confident | 96 Ų | 96 | 53.1 Ų | 53.1 | 45% | 0.449 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -52.9 | -36.5 | 177.6 | -174.2 | 62.1 | 48.4 | 0 | 0 | 113.3 | I203 C207 V208 D209 | I203-Q205 PolarHBondContact O-N 3.26Å; Q205-C207 VanDerWaalsContact C-N 3.3Å; Q205-C207 PolarHBondContact O-N 3.12Å; Q205-V208 WeakPolarHBondContact O-CB 3.15Å; Q205-V208 PolarHBondContact O-N 3.33Å; Q205-V208 VanDerWaalsContact O-N 3.16Å; Q205-D209 PolarHBondContact NE2-OD1 3.49Å; Q205-D209 VanDerWaalsContact NE2-OD1 3.08Å; Q205-D209 PolarHBondContact O-N 3.33Å |
| 206 | S | 87.2 | Confident | 88.4 | Confident | 70 Ų | 70 | 55.8 Ų | 55.8 | 49% | 0.49 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61.2 | -37.3 | 176.8 | 62.8 | 0 | 0 | 0 | 0 | 112.9 | K204 D209 E210 | K204-S206 PolarHBondContact O-N 3.36Å; K204-S206 VanDerWaalsContact O-N 3.12Å; S206-D209 PolarHBondContact O-N 3.28Å; S206-E210 WeakPolarHBondContact O-CG 3.4Å; S206-E210 PolarHBondContact O-N 2.8Å |
| 207 | C | 89.6 | Confident | 88.4 | Confident | 49 Ų | 49 | 61.4 Ų | 61.4 | 33% | 0.331 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -68.2 | -40.3 | 175.8 | -174.9 | 0 | 0 | 0 | 0 | 110.9 | I203 K204 Q205 D209 E210 I211 | I203-C207 HydrophobicContact CG2-CB 4.09Å; K204-C207 VanDerWaalsContact O-CB 3.29Å; K204-C207 WeakPolarHBondContact O-CB 3.47Å; K204-C207 PolarHBondContact O-N 2.92Å; Q205-C207 VanDerWaalsContact C-N 3.3Å; Q205-C207 PolarHBondContact O-N 3.12Å; C207-D209 PolarHBondContact O-N 2.72Å; C207-E210 WeakPolarHBondContact O-CB 3.37Å; C207-E210 PolarHBondContact O-N 3.41Å; C207-I211 VanDerWaalsContact O-CG1 3.31Å; C207-I211 WeakPolarHBondContact O-CG1 3.49Å; C207-I211 PolarHBondContact O-N 3.35Å |
| 208 | V | 88.9 | Confident | 88.5 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -60.8 | -45.5 | 175.3 | -179.7 | 0 | 0 | 0 | 0 | 111 | T154 H197 I203 K204 Q205 E210 I211 F212 L226 | T154-V208 HydrophobicContact CG2-CG1 4.03Å; H197-V208 HydrophobicContact CB-CG1 4.38Å; H197-V208 VanDerWaalsContact CE1-CG2 3.45Å; H197-V208 WeakPolarHBondContact CE1-CG2 3.28Å; I203-V208 HydrophobicContact CB-CG2 4.47Å; I203-V208 HydrophobicContact CG2-CG2 3.76Å; K204-V208 PolarHBondContact O-N 3.42Å; Q205-V208 WeakPolarHBondContact O-CB 3.15Å; Q205-V208 PolarHBondContact O-N 3.33Å; Q205-V208 VanDerWaalsContact O-N 3.16Å; V208-E210 VanDerWaalsContact C-N 3.34Å; V208-E210 PolarHBondContact O-N 3.19Å; V208-I211 PolarHBondContact O-N 3.22Å; V208-F212 VanDerWaalsContact O-CB 3.3Å; V208-F212 WeakPolarHBondContact O-CB 3.21Å; V208-F212 PolarHBondContact O-N 3.09Å; V208-L226 HydrophobicContact CG1-CD1 3.83Å; V208-L226 HydrophobicContact CG1-CD2 3.93Å |
| 209 | D | 91.4 | Very high | 88.8 | Confident | 66 Ų | 66 | 65.8 Ų | 65.8 | 35% | 0.353 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -64.7 | -38.1 | 178.2 | -66 | -26.2 | 0 | 0 | 0 | 111.5 | Q205 S206 C207 N213 | Q205-D209 PolarHBondContact NE2-OD1 3.49Å; Q205-D209 VanDerWaalsContact NE2-OD1 3.08Å; Q205-D209 PolarHBondContact O-N 3.33Å; S206-D209 PolarHBondContact O-N 3.28Å; C207-D209 PolarHBondContact O-N 2.72Å; D209-N213 VanDerWaalsContact O-CB 3.24Å; D209-N213 WeakPolarHBondContact O-CB 3.44Å; D209-N213 PolarHBondContact O-N 3.27Å; D209-N213 PolarHBondContact O-ND2 3.17Å |
| 210 | E | 92.6 | Very high | 89.2 | Confident | 116 Ų | 116 | 66.2 Ų | 66.2 | 54% | 0.542 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -61.8 | -50.8 | 173.4 | -78.3 | 173.9 | -157.5 | 0 | 0 | 112.1 | S206 C207 V208 F212 N213 Q214 | S206-E210 WeakPolarHBondContact O-CG 3.4Å; S206-E210 PolarHBondContact O-N 2.8Å; C207-E210 WeakPolarHBondContact O-CB 3.37Å; C207-E210 PolarHBondContact O-N 3.41Å; V208-E210 VanDerWaalsContact C-N 3.34Å; V208-E210 PolarHBondContact O-N 3.19Å; E210-F212 VanDerWaalsContact C-N 3.34Å; E210-F212 PolarHBondContact O-N 2.69Å; E210-N213 PolarHBondContact O-N 3.46Å; E210-Q214 WeakPolarHBondContact O-CG 3.34Å; E210-Q214 PolarHBondContact O-N 3.06Å |
| 211 | I | 90.9 | Very high | 89.6 | Confident | 31 Ų | 31 | 66.9 Ų | 66.9 | 16% | 0.159 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -59.6 | -46.7 | 176.9 | -66 | 166.6 | 0 | 0 | 0 | 110 | P159 L195 C207 V208 N213 Q214 V215 | P159-I211 HydrophobicContact CB-CG2 4.22Å; P159-I211 HydrophobicContact CG-CG2 3.8Å; L195-I211 HydrophobicContact CD2-CG2 3.86Å; C207-I211 VanDerWaalsContact O-CG1 3.31Å; C207-I211 WeakPolarHBondContact O-CG1 3.49Å; C207-I211 PolarHBondContact O-N 3.35Å; V208-I211 PolarHBondContact O-N 3.22Å; I211-N213 VanDerWaalsContact C-N 3.31Å; I211-N213 PolarHBondContact O-N 2.7Å; I211-Q214 WeakPolarHBondContact O-CB 3.47Å; I211-Q214 PolarHBondContact O-N 2.76Å; I211-Q214 VanDerWaalsContact O-N 3.15Å; I211-V215 WeakPolarHBondContact O-CG2 3.44Å; I211-V215 PolarHBondContact O-N 2.91Å |
| 212 | F | 94.6 | Very high | 89.9 | Confident | 24 Ų | 24 | 71.1 Ų | 71.1 | 11% | 0.105 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -65.9 | -34.2 | 179.4 | -174.5 | -123.1 | 0 | 0 | 0 | 112.3 | L195 V208 E210 V215 K216 C224 H225 L226 | L195-F212 HydrophobicContact CB-CD2 4.27Å; L195-F212 HydrophobicContact CD2-CB 4.11Å; L195-F212 HydrophobicContact CD2-CD2 4.21Å; V208-F212 VanDerWaalsContact O-CB 3.3Å; V208-F212 WeakPolarHBondContact O-CB 3.21Å; V208-F212 PolarHBondContact O-N 3.09Å; E210-F212 VanDerWaalsContact C-N 3.34Å; E210-F212 PolarHBondContact O-N 2.69Å; F212-V215 PolarHBondContact O-N 3.25Å; F212-K216 HydrophobicContact CD1-CD 3.97Å; F212-K216 HydrophobicContact CD1-CG 4.46Å; F212-K216 HydrophobicContact CE1-CD 3.55Å; F212-K216 VanDerWaalsContact CE1-CE 3.49Å; F212-K216 HydrophobicContact CE1-CG 4.13Å; F212-K216 HydrophobicContact CE2-CG 4.3Å; F212-K216 HydrophobicContact CZ-CD 3.88Å; F212-K216 HydrophobicContact CZ-CG 4.02Å; F212-K216 WeakPolarHBondContact O-CB 3.44Å; F212-K216 WeakPolarHBondContact O-CE 3.4Å; F212-K216 WeakPolarHBondContact O-CG 3.4Å; F212-K216 PolarHBondContact O-N 3.41Å; F212-C224 HydrophobicContact CE2-CB 3.9Å; F212-C224 HydrophobicContact CZ-CB 4.14Å; F212-H225 VanDerWaalsContact CE2-C 3.49Å; F212-L226 HydrophobicContact CD1-CB 3.97Å; F212-L226 HydrophobicContact CD1-CD2 4.34Å; F212-L226 HydrophobicContact CD2-CB 3.96Å; F212-L226 HydrophobicContact CE1-CB 3.88Å; F212-L226 HydrophobicContact CE2-CB 3.88Å; F212-L226 HydrophobicContact CG-CB 4.03Å; F212-L226 HydrophobicContact CG-CD2 4.46Å; F212-L226 HydrophobicContact CZ-CB 3.85Å |
| 213 | N | 94.5 | Very high | 90.6 | Very high | 80 Ų | 80 | 66.1 Ų | 66.1 | 43% | 0.428 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63.8 | -40.9 | 171.9 | -73.7 | -29.3 | 0 | 0 | 0 | 111.5 | D209 E210 I211 V215 K216 T217 | D209-N213 VanDerWaalsContact O-CB 3.24Å; D209-N213 WeakPolarHBondContact O-CB 3.44Å; D209-N213 PolarHBondContact O-N 3.27Å; D209-N213 PolarHBondContact O-ND2 3.17Å; E210-N213 PolarHBondContact O-N 3.46Å; I211-N213 VanDerWaalsContact C-N 3.31Å; I211-N213 PolarHBondContact O-N 2.7Å; N213-V215 VanDerWaalsContact C-N 3.35Å; N213-V215 PolarHBondContact O-N 3.14Å; N213-K216 PolarHBondContact O-N 2.84Å; N213-K216 WeakPolarHBondContact OD1-CE 3.45Å; N213-K216 PolarHBondContact OD1-NZ 2.95Å; N213-T217 WeakPolarHBondContact O-CG2 3.39Å; N213-T217 PolarHBondContact O-N 3.19Å; N213-T217 PolarHBondContact O-OG1 2.95Å |
| 214 | Q | 93 | Very high | 91.1 | Very high | 106 Ų | 106 | 64.2 Ų | 64.2 | 50% | 0.495 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62.4 | -39.6 | 173.4 | -66 | 174.4 | 21.7 | 0 | 0 | 112.4 | I160 E210 I211 T217 T218 | I160-Q214 HydrophobicContact CD1-CB 4.3Å; E210-Q214 WeakPolarHBondContact O-CG 3.34Å; E210-Q214 PolarHBondContact O-N 3.06Å; I211-Q214 WeakPolarHBondContact O-CB 3.47Å; I211-Q214 PolarHBondContact O-N 2.76Å; I211-Q214 VanDerWaalsContact O-N 3.15Å; Q214-T217 WeakPolarHBondContact CA-OG1 3.44Å; Q214-T217 PolarHBondContact O-N 3.22Å; Q214-T217 PolarHBondContact O-OG1 3.42Å; Q214-T218 WeakPolarHBondContact O-CB 3.41Å; Q214-T218 PolarHBondContact O-N 3.25Å; Q214-T218 PolarHBondContact O-OG1 3Å |
| 215 | V | 92.7 | Very high | 91.6 | Very high | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.006 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.2 | -45.5 | 175 | 174.6 | 0 | 0 | 0 | 0 | 110.3 | I160 F163 I211 F212 N213 T217 T218 F219 | I160-V215 HydrophobicContact CD1-CB 4.35Å; I160-V215 HydrophobicContact CD1-CG2 3.8Å; F163-V215 HydrophobicContact CD2-CG1 4.16Å; F163-V215 HydrophobicContact CD2-CG2 4.19Å; F163-V215 HydrophobicContact CE2-CG1 3.86Å; F163-V215 HydrophobicContact CE2-CG2 3.92Å; I211-V215 WeakPolarHBondContact O-CG2 3.44Å; I211-V215 PolarHBondContact O-N 2.91Å; F212-V215 PolarHBondContact O-N 3.25Å; N213-V215 VanDerWaalsContact C-N 3.35Å; N213-V215 PolarHBondContact O-N 3.14Å; V215-T217 PolarHBondContact O-N 3.49Å; V215-T218 PolarHBondContact O-N 2.95Å; V215-F219 HydrophobicContact CG1-CD2 4.01Å; V215-F219 PolarHBondContact O-N 3.22Å |
| 216 | K | 93.9 | Very high | 92 | Very high | 56 Ų | 56 | 55.1 Ų | 55.1 | 24% | 0.243 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.9 | -38.6 | 177.2 | -75.9 | -178.3 | -70.7 | -173.5 | 0 | 113 | F212 N213 T218 G220 A221 C224 | F212-K216 HydrophobicContact CD1-CD 3.97Å; F212-K216 HydrophobicContact CD1-CG 4.46Å; F212-K216 HydrophobicContact CE1-CD 3.55Å; F212-K216 VanDerWaalsContact CE1-CE 3.49Å; F212-K216 HydrophobicContact CE1-CG 4.13Å; F212-K216 HydrophobicContact CE2-CG 4.3Å; F212-K216 HydrophobicContact CZ-CD 3.88Å; F212-K216 HydrophobicContact CZ-CG 4.02Å; F212-K216 WeakPolarHBondContact O-CB 3.44Å; F212-K216 WeakPolarHBondContact O-CE 3.4Å; F212-K216 WeakPolarHBondContact O-CG 3.4Å; F212-K216 PolarHBondContact O-N 3.41Å; N213-K216 PolarHBondContact O-N 2.84Å; N213-K216 WeakPolarHBondContact OD1-CE 3.45Å; N213-K216 PolarHBondContact OD1-NZ 2.95Å; K216-T218 VanDerWaalsContact C-N 3.32Å; K216-G220 CarbonylContact O-C 3.5Å; K216-G220 VanDerWaalsContact O-C 3.31Å; K216-G220 WeakPolarHBondContact O-CA 2.96Å; K216-G220 PolarHBondContact O-N 2.96Å; K216-A221 HydrophobicContact CB-CB 4.16Å; K216-A221 HydrophobicContact CD-CB 4.27Å; K216-A221 HydrophobicContact CG-CB 4.26Å; K216-A221 PolarHBondContact O-N 2.98Å; K216-C224 HydrophobicContact CG-CB 3.91Å |
| 217 | T | 94.3 | Very high | 92.3 | Very high | 117 Ų | 117 | 51.9 Ų | 51.9 | 72% | 0.718 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -68.9 | -31.8 | 177.2 | 50.3 | 0 | 0 | 0 | 0 | 112.3 | N213 Q214 V215 | N213-T217 WeakPolarHBondContact O-CG2 3.39Å; N213-T217 PolarHBondContact O-N 3.19Å; N213-T217 PolarHBondContact O-OG1 2.95Å; Q214-T217 WeakPolarHBondContact CA-OG1 3.44Å; Q214-T217 PolarHBondContact O-N 3.22Å; Q214-T217 PolarHBondContact O-OG1 3.42Å; V215-T217 PolarHBondContact O-N 3.49Å |
| 218 | T | 94.1 | Very high | 92.4 | Very high | 78 Ų | 78 | 50.8 Ų | 50.8 | 48% | 0.479 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -84.5 | -45.5 | -175.6 | -52.5 | 0 | 0 | 0 | 0 | 112.6 | I160 Q214 V215 K216 | I160-T218 HydrophobicContact CG2-CG2 4.21Å; Q214-T218 WeakPolarHBondContact O-CB 3.41Å; Q214-T218 PolarHBondContact O-N 3.25Å; Q214-T218 PolarHBondContact O-OG1 3Å; V215-T218 PolarHBondContact O-N 2.95Å; K216-T218 VanDerWaalsContact C-N 3.32Å |
| 219 | F | 92.4 | Very high | 92.2 | Very high | 35 Ų | 35 | 50.9 Ų | 50.9 | 15% | 0.154 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -106.9 | -2.6 | -173.1 | -58.4 | -71.9 | 0 | 0 | 0 | 114.2 | I160 F163 Y193 V215 | I160-F219 HydrophobicContact CD1-CE2 4.25Å; F163-F219 HydrophobicContact CB-CD2 4.49Å; F163-F219 HydrophobicContact CB-CE1 4.42Å; F163-F219 HydrophobicContact CB-CE2 3.58Å; F163-F219 HydrophobicContact CB-CZ 3.54Å; F163-F219 HydrophobicContact CD2-CE2 4.09Å; F163-F219 HydrophobicContact CG-CE2 4.18Å; Y193-F219 HydrophobicContact CD1-CB 4.49Å; Y193-F219 HydrophobicContact CD1-CD1 4.3Å; Y193-F219 HydrophobicContact CD1-CD2 4.31Å; Y193-F219 HydrophobicContact CD1-CG 4.11Å; Y193-F219 HydrophobicContact CD2-CB 3.6Å; Y193-F219 HydrophobicContact CD2-CD1 4.49Å; Y193-F219 HydrophobicContact CD2-CG 4.09Å; Y193-F219 HydrophobicContact CE1-CB 4.49Å; Y193-F219 AromaticContact CE1-CD1 3.68Å; Y193-F219 HydrophobicContact CE1-CD1 3.68Å; Y193-F219 HydrophobicContact CE1-CD2 4.44Å; Y193-F219 AromaticContact CE1-CE1 3.95Å; Y193-F219 HydrophobicContact CE1-CE1 3.95Å; Y193-F219 AromaticContact CE1-CG 3.95Å; Y193-F219 HydrophobicContact CE1-CG 3.95Å; Y193-F219 HydrophobicContact CE1-CZ 4.45Å; Y193-F219 HydrophobicContact CE2-CB 3.62Å; Y193-F219 AromaticContact CE2-CD1 3.91Å; Y193-F219 HydrophobicContact CE2-CD1 3.91Å; Y193-F219 AromaticContact CE2-CG 3.94Å; Y193-F219 HydrophobicContact CE2-CG 3.94Å; Y193-F219 HydrophobicContact CG-CB 4.07Å; Y193-F219 HydrophobicContact CG-CD2 4.49Å; Y193-F219 HydrophobicContact CG-CG 4.18Å; Y193-F219 AromaticContact CZ-CD1 3.45Å; Y193-F219 VanDerWaalsContact CZ-CD1 3.45Å; Y193-F219 AromaticContact CZ-CG 3.86Å; V215-F219 HydrophobicContact CG1-CD2 4.01Å; V215-F219 PolarHBondContact O-N 3.22Å |
| 220 | G | 89.8 | Confident | 91.7 | Very high | 30 Ų | 30 | 52 Ų | 52 | 31% | 0.309 | 28% | 0.283 | S | S | . | . | trans | 90.9 | 125.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | K216 L222 N223 C224 | K216-G220 CarbonylContact O-C 3.5Å; K216-G220 VanDerWaalsContact O-C 3.31Å; K216-G220 WeakPolarHBondContact O-CA 2.96Å; K216-G220 PolarHBondContact O-N 2.96Å; G220-L222 PolarHBondContact O-N 2.88Å; G220-N223 PolarHBondContact O-N 3.33Å; G220-C224 PolarHBondContact O-SG 2.8Å | ||
| 221 | A | 89.1 | Confident | 90.5 | Very high | 55 Ų | 55 | 46.7 Ų | 46.7 | 46% | 0.455 | 26% | 0.258 | S | S | . | . | G | 310 helix | trans | -57.5 | -27.1 | -172.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | K216 N223 R392 | K216-A221 HydrophobicContact CB-CB 4.16Å; K216-A221 HydrophobicContact CD-CB 4.27Å; K216-A221 HydrophobicContact CG-CB 4.26Å; K216-A221 PolarHBondContact O-N 2.98Å; A221-N223 VanDerWaalsContact C-N 3.32Å; A221-R392 PolarHBondContact O-NH1 3.43Å |
| 222 | L | 88.4 | Confident | 88.9 | Confident | 120 Ų | 120 | 47.7 Ų | 47.7 | 63% | 0.628 | 27% | 0.268 | S | S | * | . | G | 310 helix | trans | -75.2 | -20.8 | 178.4 | -64.9 | 177.1 | 0 | 0 | 0 | 113.3 | G220 | G220-L222 PolarHBondContact O-N 2.88Š|
| 223 | N | 91.9 | Very high | 86.6 | Confident | 56 Ų | 56 | 51.1 Ų | 51.1 | 30% | 0.299 | 30% | 0.295 | S | S | . | . | G | 310 helix | trans | -102.8 | 9.2 | -177.2 | -59.4 | -34.7 | 0 | 0 | 0 | 112.6 | F192 Y193 G220 A221 | F192-N223 HydrophobicContact CD2-CB 4.49Å; F192-N223 WeakPolarHBondContact CD2-O 3.47Å; Y193-N223 HydrophobicContact CD2-CB 4.35Å; Y193-N223 PolarHBondContact N-O 3.32Å; G220-N223 PolarHBondContact O-N 3.33Å; A221-N223 VanDerWaalsContact C-N 3.32Å |
| 224 | C | 94.5 | Very high | 83.8 | Confident | 2 Ų | 2 | 51.3 Ų | 51.3 | 1% | 0.014 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 141.7 | -175.5 | -58 | 0 | 0 | 0 | 0 | 111.7 | Y193 F212 K216 G220 R392 | Y193-C224 CarbonylContact O-C 3.54Å; Y193-C224 VanDerWaalsContact O-CA 3.25Å; Y193-C224 WeakPolarHBondContact O-CA 3.04Å; F212-C224 HydrophobicContact CE2-CB 3.9Å; F212-C224 HydrophobicContact CZ-CB 4.14Å; K216-C224 HydrophobicContact CG-CB 3.91Å; G220-C224 PolarHBondContact O-SG 2.8Å; C224-R392 PolarHBondContact O-NH2 3.3Å |
| 225 | H | 95 | Very high | 80.8 | Confident | 29 Ų | 29 | 49.4 Ų | 49.4 | 13% | 0.134 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 139.4 | 173.9 | -167.1 | 95.1 | 0 | 0 | 0 | 110.8 | F192 Y193 V194 L195 F212 F385 D388 | F192-H225 HydrophobicContact CE1-CB 3.78Å; F192-H225 HydrophobicContact CZ-CB 4.04Å; Y193-H225 PolarHBondContact O-N 3.37Å; V194-H225 WeakPolarHBondContact CA-O 3.48Å; L195-H225 PolarHBondContact N-O 3.07Å; F212-H225 VanDerWaalsContact CE2-C 3.49Å; H225-F385 HydrophobicContact CB-CD2 4.19Å; H225-F385 AromaticContact CD2-CD2 3.67Å; H225-F385 AromaticContact CG-CD2 3.82Å; H225-D388 IonicContact CE1-OD2 3.18Å; H225-D388 IonicContact CG-OD2 2.76Å; H225-D388 IonicContact ND1-OD2 3.89Å; H225-D388 PolarHBondContact ND1-OD2 3.42Å |
| 226 | L | 94.4 | Very high | 77.7 | Confident | 37 Ų | 37 | 57.1 Ų | 57.1 | 19% | 0.194 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 114.1 | 173.4 | 176 | 67.1 | 0 | 0 | 0 | 107.9 | L195 H197 V208 F212 | L195-L226 HydrophobicContact CB-CD1 4.2Å; L195-L226 HydrophobicContact CD2-CD1 4.19Å; L195-L226 HydrophobicContact CG-CD1 4.22Å; L195-L226 WeakPolarHBondContact O-CA 3.39Å; H197-L226 HydrophobicContact CB-CD1 4.25Å; V208-L226 HydrophobicContact CG1-CD1 3.83Å; V208-L226 HydrophobicContact CG1-CD2 3.93Å; F212-L226 HydrophobicContact CD1-CB 3.97Å; F212-L226 HydrophobicContact CD1-CD2 4.34Å; F212-L226 HydrophobicContact CD2-CB 3.96Å; F212-L226 HydrophobicContact CE1-CB 3.88Å; F212-L226 HydrophobicContact CE2-CB 3.88Å; F212-L226 HydrophobicContact CG-CB 4.03Å; F212-L226 HydrophobicContact CG-CD2 4.46Å; F212-L226 HydrophobicContact CZ-CB 3.85Å |
| 227 | L | 93 | Very high | 74.5 | Confident | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.005 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 119.2 | 177.7 | 178.4 | 59.2 | 0 | 0 | 0 | 109 | F39 V194 L195 L196 H197 I229 R381 I382 F385 | F39-L227 HydrophobicContact CE2-CD2 4.27Å; V194-L227 HydrophobicContact CG1-CB 4.15Å; L195-L227 PolarHBondContact O-N 3.41Å; L196-L227 CarbonylContact C-O 3.5Å; L196-L227 WeakPolarHBondContact CA-O 3.44Å; L196-L227 HydrophobicContact CD1-CB 4.02Å; L196-L227 HydrophobicContact CD1-CD2 3.86Å; L196-L227 HydrophobicContact CD1-CG 3.78Å; L196-L227 WeakPolarHBondContact CD1-O 3.46Å; H197-L227 PolarHBondContact N-O 2.82Å; L227-I229 HydrophobicContact CD1-CG2 4.48Å; L227-I229 HydrophobicContact CG-CG2 4.23Å; L227-R381 HydrophobicContact CD1-CB 4.09Å; L227-I382 HydrophobicContact CD1-CG1 4.26Å; L227-I382 HydrophobicContact CD2-CG1 4.48Å; L227-F385 HydrophobicContact CD1-CB 4.41Å; L227-F385 HydrophobicContact CD2-CD1 4.41Å |
| 228 | T | 90.8 | Very high | 71.3 | Confident | 27 Ų | 27 | 64.9 Ų | 64.9 | 17% | 0.166 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 124.7 | 175.4 | -52.7 | 0 | 0 | 0 | 0 | 110 | H197 F230 R381 | H197-T228 HydrophobicContact CB-CG2 4.45Å; H197-T228 WeakPolarHBondContact O-CA 3.45Å; T228-F230 HydrophobicContact CG2-CE2 4.29Å; T228-R381 WeakPolarHBondContact O-CD 3.42Å; T228-R381 PolarHBondContact O-NE 3.4Å |
| 229 | I | 85 | Confident | 68 | Low | 2 Ų | 2 | 68.7 Ų | 68.7 | 1% | 0.01 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 148.3 | 174.6 | 60.2 | 171 | 0 | 0 | 0 | 110.4 | L31 L196 H197 D198 G199 L227 T231 D378 | L31-I229 HydrophobicContact CD2-CD1 4Å; L31-I229 HydrophobicContact CD2-CG1 4.31Å; L31-I229 HydrophobicContact CG-CD1 4.32Å; L196-I229 HydrophobicContact CD1-CD1 3.85Å; L196-I229 HydrophobicContact CD1-CG1 3.78Å; L196-I229 HydrophobicContact CD1-CG2 4.24Å; L196-I229 HydrophobicContact CD2-CD1 4.02Å; L196-I229 HydrophobicContact CG-CD1 4.22Å; L196-I229 HydrophobicContact CG-CG1 4.29Å; H197-I229 PolarHBondContact O-N 3.06Å; D198-I229 CarbonylContact C-O 3.51Å; D198-I229 WeakPolarHBondContact CA-O 3.43Å; G199-I229 PolarHBondContact N-O 2.9Å; L227-I229 HydrophobicContact CD1-CG2 4.48Å; L227-I229 HydrophobicContact CG-CG2 4.23Å; I229-T231 HydrophobicContact CD1-CG2 3.85Å; I229-T231 HydrophobicContact CG1-CG2 4.1Å; I229-D378 WeakPolarHBondContact CA-OD1 3.31Å |
| 230 | F | 80.5 | Confident | 64.7 | Low | 89 Ų | 89 | 70.1 Ų | 70.1 | 39% | 0.39 | 43% | 0.427 | S | S | . | . | trans | -107.3 | 120 | 176.1 | -67.5 | -95.5 | 0 | 0 | 0 | 110 | G199 T228 D378 | G199-F230 VanDerWaalsContact C-CD1 3.42Å; G199-F230 VanDerWaalsContact O-CE1 3.22Å; G199-F230 WeakPolarHBondContact O-CE1 3.46Å; T228-F230 HydrophobicContact CG2-CE2 4.29Å; F230-D378 PolarHBondContact N-OD1 3.25Å | ||
| 231 | T | 68.3 | Low | 61.7 | Low | 4 Ų | 4 | 75.6 Ų | 75.6 | 3% | 0.025 | 45% | 0.449 | C | S | . | . | trans | -115.6 | 1 | -170.8 | 66.5 | 0 | 0 | 0 | 0 | 115.9 | L31 R34 D198 I229 | L31-T231 HydrophobicContact CD1-CG2 3.76Å; L31-T231 VanDerWaalsContact CD1-OG1 3.27Å; L31-T231 WeakPolarHBondContact CD1-OG1 3.48Å; L31-T231 HydrophobicContact CG-CG2 3.96Å; R34-T231 PolarHBondContact NH1-OG1 2.71Å; R34-T231 VanDerWaalsContact NH1-OG1 3.08Å; D198-T231 PolarHBondContact OD1-OG1 3.09Å; D198-T231 PolarHBondContact OD2-OG1 3.22Å; I229-T231 HydrophobicContact CD1-CG2 3.85Å; I229-T231 HydrophobicContact CG1-CG2 4.1Å | ||
| 232 | S | 56.2 | Low | 58.6 | Low | 52 Ų | 52 | 79.8 Ų | 79.8 | 36% | 0.364 | 46% | 0.464 | S | S | . | . | trans | -111.3 | 146.6 | -172.9 | 69 | 0 | 0 | 0 | 0 | 115.3 | S200 S234 | S200-S232 WeakPolarHBondContact CB-OG 3.26Å; S200-S232 PolarHBondContact OG-OG 2.86Å; S232-S234 PolarHBondContact O-N 2.81Å; S232-S234 PolarHBondContact OG-OG 3.26Å | ||
| 233 | S | 46.9 | Very low | 55.6 | Low | 97 Ų | 97 | 79.9 Ų | 79.9 | 68% | 0.678 | 47% | 0.474 | S | S | * | . | trans | -79.8 | 27.8 | 168.4 | -32.5 | 0 | 0 | 0 | 0 | 113.5 | G235 H373 | S233-G235 PolarHBondContact O-N 3.05Å; S233-H373 PolarHBondContact OG-NE2 3.46Å | ||
| 234 | S | 35.3 | Very low | 52.3 | Low | 84 Ų | 84 | 82.6 Ų | 82.6 | 59% | 0.587 | 50% | 0.497 | S | S | * | . | trans | -74.4 | 49.4 | 179.4 | 50.4 | 0 | 0 | 0 | 0 | 112.5 | S232 N236 | S232-S234 PolarHBondContact O-N 2.81Å; S232-S234 PolarHBondContact OG-OG 3.26Å; S234-N236 VanDerWaalsContact C-N 3.32Å; S234-N236 PolarHBondContact O-N 3.42Å | ||
| 235 | G | 30.8 | Very low | 48.9 | Very low | 66 Ų | 66 | 89 Ų | 89 | 68% | 0.68 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | 71 | 153.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | S233 | S233-G235 PolarHBondContact O-N 3.05Š|
| 236 | N | 26.8 | Very low | 45.5 | Very low | 162 Ų | 162 | 92.8 Ų | 92.8 | 87% | 0.866 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.4 | -4.9 | 150.6 | -106.6 | -0.7 | 0 | 0 | 0 | 114.2 | S234 | S234-N236 VanDerWaalsContact C-N 3.32Å; S234-N236 PolarHBondContact O-N 3.42Å |
| 237 | E | 27.9 | Very low | 42 | Very low | 181 Ų | 181 | 97.5 Ų | 97.5 | 85% | 0.846 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -139.1 | 8.9 | -176.6 | -68.5 | -168.9 | 166 | 0 | 0 | 117.5 | ||
| 238 | L | 25.7 | Very low | 38.7 | Very low | 156 Ų | 156 | 105.9 Ų | 105.9 | 82% | 0.817 | 63% | 0.626 | S | S | * | * | trans | -130.6 | 62.1 | 179 | -69.7 | 169.4 | 0 | 0 | 0 | 113.7 | ||||
| 239 | L | 25.8 | Very low | 35.5 | Very low | 158 Ų | 158 | 111.5 Ų | 111.5 | 83% | 0.827 | 66% | 0.655 | S | S | * | * | trans | -149.6 | 59.5 | 151.2 | -121.1 | 133.2 | 0 | 0 | 0 | 110.4 | ||||
| 240 | G | 23.1 | Very low | 32.6 | Very low | 65 Ų | 65 | 119.8 Ų | 119.8 | 67% | 0.67 | 70% | 0.698 | S | S | * | * | trans | -66.7 | 132.3 | 149 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 241 | N | 25.6 | Very low | 29.8 | Very low | 145 Ų | 145 | 124.7 Ų | 124.7 | 78% | 0.775 | 72% | 0.72 | S | S | * | * | S | Bend | trans | 83 | 72.3 | 171.5 | -47.6 | -22.4 | 0 | 0 | 0 | 115.7 | ||
| 242 | N | 25.7 | Very low | 27.7 | Very low | 143 Ų | 143 | 131.6 Ų | 131.6 | 77% | 0.765 | 76% | 0.756 | S | S | * | * | 178 | 136.7 | 108.2 | -85.3 | -27.3 | 0 | 0 | 0 | 109.5 | C244 | N242-C244 PolarHBondContact O-N 3.39Š| |||
| 243 | S | 24.2 | Very low | 26.1 | Very low | 121 Ų | 121 | 136 Ų | 136 | 85% | 0.846 | 78% | 0.776 | S | S | * | * | trans | -44 | 95.5 | 173.3 | 53.6 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 244 | C | 22.3 | Very low | 24.9 | Very low | 114 Ų | 114 | 136.2 Ų | 136.2 | 77% | 0.77 | 78% | 0.775 | S | S | * | * | trans | -159.2 | 101.3 | 144.6 | -146.7 | 0 | 0 | 0 | 0 | 107 | N242 P246 | N242-C244 PolarHBondContact O-N 3.39Å; C244-P246 WeakPolarHBondContact O-CD 3.4Å | ||
| 245 | V | 23.8 | Very low | 24.3 | Very low | 136 Ų | 136 | 142.5 Ų | 142.5 | 82% | 0.824 | 79% | 0.788 | S | S | * | * | trans | -66.5 | 123.3 | 178.8 | -177.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 246 | P | 23.8 | Very low | 24.1 | Very low | 108 Ų | 108 | 148.3 Ų | 148.3 | 70% | 0.701 | 80% | 0.797 | S | S | * | * | trans | -113.6 | 103.5 | 158.8 | 21.4 | 0.9 | 0 | 0 | 0 | 107.6 | C244 | C244-P246 WeakPolarHBondContact O-CD 3.4Š| ||
| 247 | N | 21.5 | Very low | 23.9 | Very low | 137 Ų | 137 | 144.8 Ų | 144.8 | 73% | 0.733 | 79% | 0.79 | S | S | * | * | trans | 164.6 | 136.7 | 141.3 | -82.1 | -20.3 | 0 | 0 | 0 | 108.7 | ||||
| 248 | H | 23.4 | Very low | 23.8 | Very low | 176 Ų | 176 | 144.2 Ų | 144.2 | 82% | 0.815 | 79% | 0.793 | S | S | * | * | S | Bend | trans | 80.2 | 85.9 | -174.5 | -53.1 | -77.4 | 0 | 0 | 0 | 114.5 | ||
| 249 | L | 23.1 | Very low | 23.6 | Very low | 146 Ų | 146 | 140 Ų | 140 | 76% | 0.764 | 79% | 0.787 | S | S | * | * | 166.4 | 97.7 | 102.9 | -82.3 | 171.3 | 0 | 0 | 0 | 109.7 | |||||
| 250 | L | 23 | Very low | 23.6 | Very low | 175 Ų | 175 | 139.9 Ų | 139.9 | 92% | 0.916 | 79% | 0.786 | S | S | * | * | trans | -143.6 | 61.4 | 148.1 | -79.6 | -174.4 | 0 | 0 | 0 | 110.2 | ||||
| 251 | F | 21.8 | Very low | 23.6 | Very low | 193 Ų | 193 | 143.9 Ų | 143.9 | 85% | 0.846 | 79% | 0.79 | S | S | * | * | trans | -123.5 | 104.8 | 136.2 | -85 | -79.8 | 0 | 0 | 0 | 105.2 | ||||
| 252 | N | 24.5 | Very low | 23.5 | Very low | 148 Ų | 148 | 142.2 Ų | 142.2 | 79% | 0.791 | 79% | 0.79 | S | S | * | * | trans | 175.6 | 116.9 | 139.2 | -90.9 | -21.2 | 0 | 0 | 0 | 113.2 | ||||
| 253 | N | 23.8 | Very low | 23.4 | Very low | 144 Ų | 144 | 147.2 Ų | 147.2 | 77% | 0.77 | 80% | 0.798 | S | S | * | * | trans | 60.9 | 130 | 138.3 | -96.6 | -32.8 | 0 | 0 | 0 | 122.6 | ||||
| 254 | P | 21.6 | Very low | 23.3 | Very low | 103 Ų | 103 | 146.4 Ų | 146.4 | 67% | 0.669 | 79% | 0.79 | S | S | * | * | trans | -98.9 | 109.4 | -178 | 36 | -26.5 | 0 | 0 | 0 | 112.3 | ||||
| 255 | Y | 22.7 | Very low | 23.3 | Very low | 216 Ų | 216 | 148 Ų | 148 | 85% | 0.847 | 79% | 0.791 | S | S | * | * | trans | -156 | 142.4 | 159.6 | -81 | -73.7 | 0 | 0 | 0 | 111.1 | ||||
| 256 | Q | 26.1 | Very low | 23.3 | Very low | 187 Ų | 187 | 147.8 Ų | 147.8 | 87% | 0.874 | 79% | 0.79 | S | S | * | * | trans | 84.7 | 94.6 | 171.4 | -51.9 | -176.4 | 3 | 0 | 0 | 115.3 | ||||
| 257 | A | 22.2 | Very low | 23.2 | Very low | 88 Ų | 88 | 147.4 Ų | 147.4 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | 66 | 97 | 71.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 258 | N | 26.8 | Very low | 23.1 | Very low | 169 Ų | 169 | 147.4 Ų | 147.4 | 90% | 0.904 | 80% | 0.795 | S | S | * | * | 178.6 | 130.5 | 123.5 | -91.5 | -20.6 | 0 | 0 | 0 | 110.8 | |||||
| 259 | G | 21.8 | Very low | 23 | Very low | 67 Ų | 67 | 145.5 Ų | 145.5 | 69% | 0.691 | 79% | 0.79 | S | S | * | * | trans | -79.7 | 176.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 260 | I | 24.6 | Very low | 22.9 | Very low | 157 Ų | 157 | 144.6 Ų | 144.6 | 81% | 0.805 | 79% | 0.79 | S | S | * | * | trans | 178.5 | 111.7 | 130.7 | -87.1 | 153.1 | 0 | 0 | 0 | 108.9 | ||||
| 261 | I | 22.7 | Very low | 22.7 | Very low | 148 Ų | 148 | 144.4 Ų | 144.4 | 76% | 0.759 | 78% | 0.784 | S | S | * | * | trans | 49.4 | 110.8 | 132.8 | -48.2 | 172 | 0 | 0 | 0 | 119.1 | ||||
| 262 | S | 25.1 | Very low | 22.6 | Very low | 111 Ų | 111 | 140.9 Ų | 140.9 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | 166.8 | 111.4 | 102.6 | 40.8 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 263 | R | 22.1 | Very low | 22.4 | Very low | 247 Ų | 247 | 139.2 Ų | 139.2 | 93% | 0.932 | 78% | 0.779 | S | S | * | * | trans | 68.4 | 137.5 | 146.6 | -88.2 | -179.8 | 172.6 | 170.5 | -2.1 | 123.4 | ||||
| 264 | P | 23.1 | Very low | 22.3 | Very low | 105 Ų | 105 | 140.4 Ų | 140.4 | 68% | 0.682 | 78% | 0.779 | S | S | * | * | trans | -105.9 | 165.6 | -176 | 42.1 | -33.1 | 0 | 0 | 0 | 113.5 | ||||
| 265 | N | 22.9 | Very low | 22.4 | Very low | 147 Ų | 147 | 143.2 Ų | 143.2 | 79% | 0.786 | 79% | 0.789 | S | S | * | * | -175.3 | 136 | 127.6 | -91 | -15.8 | 0 | 0 | 0 | 113.3 | |||||
| 266 | T | 23.7 | Very low | 22.5 | Very low | 132 Ų | 132 | 140.7 Ų | 140.7 | 81% | 0.81 | 79% | 0.785 | S | S | * | * | trans | 70.6 | 80.8 | 157.4 | 35.2 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 267 | S | 20.3 | Very low | 22.7 | Very low | 99 Ų | 99 | 136.4 Ų | 136.4 | 69% | 0.692 | 77% | 0.773 | S | S | * | * | trans | -66.5 | 126.9 | 151.1 | 41.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 268 | T | 20.7 | Very low | 23.4 | Very low | 138 Ų | 138 | 142 Ų | 142 | 85% | 0.847 | 78% | 0.784 | S | S | * | * | trans | -121 | 92.6 | 149.4 | -44.8 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 269 | I | 20.7 | Very low | 24.6 | Very low | 135 Ų | 135 | 138.5 Ų | 138.5 | 69% | 0.692 | 77% | 0.772 | S | S | * | * | trans | -88.2 | 113.3 | 178.9 | -66.3 | 164.6 | 0 | 0 | 0 | 106.6 | ||||
| 270 | V | 20.3 | Very low | 26.6 | Very low | 127 Ų | 127 | 136.9 Ų | 136.9 | 77% | 0.77 | 75% | 0.748 | S | S | * | * | trans | -115.3 | 117.7 | 155.8 | 177.8 | 0 | 0 | 0 | 0 | 105.9 | T272 | V270-T272 PolarHBondContact O-N 3.5Š| ||
| 271 | H | 19.8 | Very low | 28.5 | Very low | 171 Ų | 171 | 133.1 Ų | 133.1 | 79% | 0.792 | 73% | 0.734 | S | S | * | * | trans | -45.4 | 110 | -173.1 | -69.6 | -95.8 | 0 | 0 | 0 | 114.1 | ||||
| 272 | T | 20 | Very low | 30.8 | Very low | 119 Ų | 119 | 126.6 Ų | 126.6 | 73% | 0.73 | 70% | 0.7 | S | S | * | * | trans | -88.4 | 98.1 | 151.5 | 47.1 | 0 | 0 | 0 | 0 | 106.9 | V270 E274 | V270-T272 PolarHBondContact O-N 3.5Å; T272-E274 PolarHBondContact O-N 2.75Å | ||
| 273 | S | 20.6 | Very low | 33 | Very low | 114 Ų | 114 | 122.4 Ų | 122.4 | 80% | 0.797 | 67% | 0.669 | S | S | * | * | trans | -71.6 | 85.5 | 170 | 53.1 | 0 | 0 | 0 | 0 | 108.9 | N275 | S273-N275 PolarHBondContact O-N 3.23Š| ||
| 274 | E | 21.2 | Very low | 35 | Very low | 168 Ų | 168 | 113.9 Ų | 113.9 | 79% | 0.785 | 64% | 0.639 | S | S | * | * | trans | -66.8 | 104.2 | 159.3 | -67.3 | 177.4 | 163.1 | 0 | 0 | 107.3 | T272 | T272-E274 PolarHBondContact O-N 2.75Š| ||
| 275 | N | 23.6 | Very low | 37.2 | Very low | 162 Ų | 162 | 112.8 Ų | 112.8 | 87% | 0.866 | 63% | 0.625 | S | S | * | * | trans | 176.7 | 34.9 | 157.2 | -87.7 | -21.1 | 0 | 0 | 0 | 111.3 | S273 | S273-N275 PolarHBondContact O-N 3.23Š| ||
| 276 | E | 24.9 | Very low | 39.3 | Very low | 164 Ų | 164 | 106.3 Ų | 106.3 | 77% | 0.766 | 59% | 0.59 | S | S | * | * | trans | -82.3 | 121.9 | 163.3 | -81.9 | -158.6 | 159.1 | 0 | 0 | 108.6 | ||||
| 277 | P | 29.6 | Very low | 41.2 | Very low | 97 Ų | 97 | 100.8 Ų | 100.8 | 63% | 0.63 | 56% | 0.555 | S | S | * | * | trans | -62 | 139.1 | 178.1 | 26.4 | -31.5 | 0 | 0 | 0 | 109.1 | S279 | P277-S279 PolarHBondContact O-N 3Š| ||
| 278 | H | 36.6 | Very low | 42.9 | Very low | 205 Ų | 205 | 96.7 Ų | 96.7 | 95% | 0.949 | 53% | 0.527 | S | S | * | . | trans | -41.7 | 92.9 | -176.4 | -68.6 | -77.9 | 0 | 0 | 0 | 112.7 | D280 | H278-D280 PolarHBondContact O-N 2.77Š| ||
| 279 | S | 52.6 | Low | 44.4 | Very low | 95 Ų | 95 | 91.9 Ų | 91.9 | 66% | 0.664 | 50% | 0.495 | S | S | * | . | trans | -67 | 128.2 | 172.4 | 60.1 | 0 | 0 | 0 | 0 | 107.8 | P277 P281 | P277-S279 PolarHBondContact O-N 3Å; S279-P281 WeakPolarHBondContact O-CD 3.35Å | ||
| 280 | D | 62.8 | Low | 45.6 | Very low | 33 Ų | 33 | 86.1 Ų | 86.1 | 18% | 0.176 | 47% | 0.469 | C | S | . | . | trans | -52.9 | 110.7 | 171.2 | -179 | -21.5 | 0 | 0 | 0 | 110.1 | H278 W282 L283 P369 H370 | H278-D280 PolarHBondContact O-N 2.77Å; D280-W282 VanDerWaalsContact C-N 3.28Å; D280-W282 PolarHBondContact O-N 3.33Å; D280-W282 WeakPolarHBondContact OD1-CA 3.45Å; D280-W282 WeakPolarHBondContact OD1-CB 3.44Å; D280-W282 PolarHBondContact OD1-N 3.28Å; D280-L283 HydrophobicContact CB-CB 3.98Å; D280-L283 PolarHBondContact O-N 2.85Å; D280-L283 PolarHBondContact OD1-N 3.06Å; D280-L283 VanDerWaalsContact OD1-N 3.15Å; D280-P369 WeakPolarHBondContact OD2-CA 3.18Å; D280-H370 IonicContact OD2-CE1 2.84Å; D280-H370 IonicContact OD2-CG 2.87Å; D280-H370 PolarHBondContact OD2-N 2.89Å; D280-H370 IonicContact OD2-ND1 3.24Å; D280-H370 PolarHBondContact OD2-ND1 2.84Å | ||
| 281 | P | 64.5 | Low | 46.8 | Very low | 79 Ų | 79 | 82.2 Ų | 82.2 | 51% | 0.513 | 44% | 0.44 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -25.4 | -175.6 | 28.1 | -32.1 | 0 | 0 | 0 | 112.2 | S279 H285 | S279-P281 WeakPolarHBondContact O-CD 3.35Å; P281-H285 PolarHBondContact O-CD2 2.93Å |
| 282 | W | 72.6 | Confident | 48 | Very low | 10 Ų | 10 | 83.2 Ų | 83.2 | 4% | 0.038 | 44% | 0.437 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -35.5 | 179.3 | -110.2 | -93 | 0 | 0 | 0 | 111.8 | L37 E41 L42 P45 F46 D280 H284 H285 L286 H370 L374 R379 | L37-W282 HydrophobicContact CD1-CD2 4.44Å; L37-W282 HydrophobicContact CD1-CG 4.41Å; L37-W282 HydrophobicContact CD2-CG 4.39Å; E41-W282 PolarHBondContact O-NE1 3.05Å; L42-W282 HydrophobicContact CD1-CZ2 4.32Å; P45-W282 HydrophobicContact CG-CD2 4.13Å; P45-W282 HydrophobicContact CG-CG 4.21Å; P45-W282 HydrophobicContact CG-CZ2 4.11Å; P45-W282 VanDerWaalsContact CG-NE1 3.33Å; F46-W282 HydrophobicContact CE2-CH2 4.34Å; F46-W282 AromaticContact CE2-CZ2 3.89Å; F46-W282 HydrophobicContact CE2-CZ2 3.89Å; F46-W282 HydrophobicContact CZ-CH2 4.37Å; F46-W282 HydrophobicContact CZ-CZ2 4.36Å; D280-W282 VanDerWaalsContact C-N 3.28Å; D280-W282 PolarHBondContact O-N 3.33Å; D280-W282 WeakPolarHBondContact OD1-CA 3.45Å; D280-W282 WeakPolarHBondContact OD1-CB 3.44Å; D280-W282 PolarHBondContact OD1-N 3.28Å; W282-H284 PolarHBondContact O-N 2.9Å; W282-H285 WeakPolarHBondContact O-CA 3.42Å; W282-H285 WeakPolarHBondContact O-CB 3.33Å; W282-H285 PolarHBondContact O-N 3.41Å; W282-L286 HydrophobicContact CB-CD1 4.45Å; W282-L286 WeakPolarHBondContact O-CG 3.31Å; W282-L286 PolarHBondContact O-N 2.9Å; W282-L286 VanDerWaalsContact O-N 3.08Å; W282-H370 HydrophobicContact CB-CB 3.79Å; W282-H370 HydrophobicContact CG-CB 4.44Å; W282-L374 HydrophobicContact CH2-CD1 3.49Å; W282-L374 VanDerWaalsContact CH2-CD1 3.49Å; W282-L374 HydrophobicContact CZ2-CD1 3.68Å; W282-L374 HydrophobicContact CZ3-CD1 4.14Å; W282-R379 HydrophobicContact CH2-CG 4.09Å |
| 283 | L | 69.7 | Low | 48.7 | Very low | 24 Ų | 24 | 79.6 Ų | 79.6 | 13% | 0.126 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -51.1 | -36.8 | -178.7 | -174.5 | 63.3 | 0 | 0 | 0 | 112.3 | D280 H285 L286 L287 P293 L295 Y366 | D280-L283 HydrophobicContact CB-CB 3.98Å; D280-L283 PolarHBondContact O-N 2.85Å; D280-L283 PolarHBondContact OD1-N 3.06Å; D280-L283 VanDerWaalsContact OD1-N 3.15Å; L283-H285 VanDerWaalsContact C-N 3.32Å; L283-H285 PolarHBondContact O-N 3.23Å; L283-L286 PolarHBondContact O-N 2.77Å; L283-L287 HydrophobicContact CD1-CD1 4.28Å; L283-L287 HydrophobicContact CD1-CG 4.34Å; L283-L287 HydrophobicContact CG-CD1 4.03Å; L283-L287 VanDerWaalsContact O-CG 3.32Å; L283-L287 WeakPolarHBondContact O-CG 3.37Å; L283-L287 PolarHBondContact O-N 3Å; L283-L287 VanDerWaalsContact O-N 3.12Å; L283-P293 HydrophobicContact CD2-CG 4.4Å; L283-L295 HydrophobicContact CD2-CD1 4.27Å; L283-Y366 HydrophobicContact CD1-CD1 4.36Å |
| 284 | H | 64.3 | Low | 49.3 | Very low | 67 Ų | 67 | 80 Ų | 80 | 31% | 0.31 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -61.1 | -36.2 | 175.1 | -179.2 | -87.7 | 0 | 0 | 0 | 113.6 | W282 G290 | W282-H284 PolarHBondContact O-N 2.9Å; H284-G290 WeakPolarHBondContact NE2-CA 2.96Å; H284-G290 VanDerWaalsContact O-CA 3.25Å; H284-G290 WeakPolarHBondContact O-CA 3.45Å; H284-G290 PolarHBondContact O-N 2.83Å |
| 285 | H | 70.3 | Confident | 49.8 | Very low | 82 Ų | 82 | 76.5 Ų | 76.5 | 38% | 0.38 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -84.2 | -20.1 | 178.5 | -64.6 | -78.5 | 0 | 0 | 0 | 113.2 | R44 P45 P281 W282 L283 | R44-H285 HydrophobicContact CB-CB 4.32Å; P45-H285 HydrophobicContact CG-CB 4.07Å; P281-H285 PolarHBondContact O-CD2 2.93Å; W282-H285 WeakPolarHBondContact O-CA 3.42Å; W282-H285 WeakPolarHBondContact O-CB 3.33Å; W282-H285 PolarHBondContact O-N 3.41Å; L283-H285 VanDerWaalsContact C-N 3.32Å; L283-H285 PolarHBondContact O-N 3.23Å |
| 286 | L | 67.5 | Low | 49.9 | Very low | 11 Ų | 11 | 74.1 Ų | 74.1 | 6% | 0.058 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -81.3 | -30.1 | 177.2 | -61.3 | 175.1 | 0 | 0 | 0 | 112.1 | L37 E41 W282 L283 Y366 H370 | L37-L286 HydrophobicContact CD2-CD1 4.17Å; L37-L286 HydrophobicContact CD2-CD2 4.27Å; E41-L286 HydrophobicContact CB-CD2 3.62Å; E41-L286 HydrophobicContact CG-CD2 3.55Å; W282-L286 HydrophobicContact CB-CD1 4.45Å; W282-L286 WeakPolarHBondContact O-CG 3.31Å; W282-L286 PolarHBondContact O-N 2.9Å; W282-L286 VanDerWaalsContact O-N 3.08Å; L283-L286 PolarHBondContact O-N 2.77Å; L286-Y366 HydrophobicContact CB-CD1 4.4Å; L286-Y366 HydrophobicContact CB-CE1 3.87Å; L286-Y366 HydrophobicContact CD1-CD1 4.15Å; L286-Y366 HydrophobicContact CD1-CE1 3.94Å; L286-Y366 HydrophobicContact CG-CE1 4.38Å; L286-H370 HydrophobicContact CD1-CB 4.36Å; L286-H370 WeakPolarHBondContact CD1-CD2 3.28Å; L286-H370 WeakPolarHBondContact CD1-NE2 3.28Å |
| 287 | L | 62.9 | Low | 50 | Low | 16 Ų | 16 | 72.1 Ų | 72.1 | 8% | 0.084 | 37% | 0.369 | C | S | . | . | S | Bend | trans | -79.7 | 150.9 | 178.7 | -68 | 170 | 0 | 0 | 0 | 112.4 | L283 H289 G290 Y291 P293 | L283-L287 HydrophobicContact CD1-CD1 4.28Å; L283-L287 HydrophobicContact CD1-CG 4.34Å; L283-L287 HydrophobicContact CG-CD1 4.03Å; L283-L287 VanDerWaalsContact O-CG 3.32Å; L283-L287 WeakPolarHBondContact O-CG 3.37Å; L283-L287 PolarHBondContact O-N 3Å; L283-L287 VanDerWaalsContact O-N 3.12Å; L287-H289 PolarHBondContact O-N 3.13Å; L287-G290 PolarHBondContact O-N 2.76Å; L287-Y291 HydrophobicContact CD1-CD1 4.39Å; L287-Y291 VanDerWaalsContact CD1-O 3.3Å; L287-Y291 WeakPolarHBondContact CD1-O 3.46Å; L287-P293 VanDerWaalsContact CD1-CD 3.43Å; L287-P293 HydrophobicContact CD1-CG 3.65Å |
| 288 | P | 55.5 | Low | 49.9 | Very low | 14 Ų | 14 | 76.8 Ų | 76.8 | 9% | 0.091 | 38% | 0.379 | C | S | . | . | G | 310 helix | trans | -53.5 | 109.3 | 173.7 | -23.6 | 34 | 0 | 0 | 0 | 110.6 | F92 A125 Y128 L129 G290 Y291 | F92-P288 HydrophobicContact CD1-CG 4.18Å; F92-P288 HydrophobicContact CE1-CG 3.93Å; F92-P288 HydrophobicContact CZ-CG 4.19Å; A125-P288 HydrophobicContact CB-CB 4.48Å; Y128-P288 HydrophobicContact CD1-CB 3.88Å; Y128-P288 HydrophobicContact CE1-CB 4.28Å; L129-P288 HydrophobicContact CD1-CB 4.37Å; L129-P288 HydrophobicContact CD1-CG 4.08Å; L129-P288 HydrophobicContact CD2-CB 4.17Å; L129-P288 HydrophobicContact CD2-CG 3.98Å; L129-P288 HydrophobicContact CG-CB 4.13Å; L129-P288 HydrophobicContact CG-CG 4.2Å; P288-G290 PolarHBondContact O-N 3.11Å; P288-Y291 PolarHBondContact O-N 3.49Å |
| 289 | H | 52.7 | Low | 49.2 | Very low | 37 Ų | 37 | 73.6 Ų | 73.6 | 17% | 0.171 | 37% | 0.369 | C | S | . | . | G | 310 helix | trans | 60.3 | 28.3 | 175.1 | -74.6 | -37.1 | 0 | 0 | 0 | 118.9 | F11 F14 Y128 L287 Y291 | F11-H289 AromaticContact CD2-NE2 3.6Å; F11-H289 AromaticContact CE2-NE2 3.35Å; F11-H289 VanDerWaalsContact CE2-NE2 3.35Å; F11-H289 WeakPolarHBondContact CE2-NE2 3.27Å; F14-H289 AromaticContact CD1-CE1 3.29Å; F14-H289 WeakPolarHBondContact CD1-CE1 3.07Å; F14-H289 AromaticContact CD1-ND1 3.84Å; F14-H289 AromaticContact CE1-CE1 3.3Å; F14-H289 WeakPolarHBondContact CE1-CE1 3.45Å; F14-H289 AromaticContact CE1-ND1 3.45Å; F14-H289 WeakPolarHBondContact CE1-ND1 3.49Å; F14-H289 AromaticContact CZ-ND1 3.71Å; Y128-H289 WeakPolarHBondContact CB-CD2 3.46Å; Y128-H289 WeakPolarHBondContact CB-NE2 3.34Å; Y128-H289 AromaticContact CD1-CD2 3.81Å; Y128-H289 AromaticContact CD1-CG 3.78Å; Y128-H289 AromaticContact CD2-CD2 3.56Å; Y128-H289 AromaticContact CD2-CE1 2.94Å; Y128-H289 WeakPolarHBondContact CD2-CE1 3.41Å; Y128-H289 AromaticContact CD2-CG 3.93Å; Y128-H289 AromaticContact CD2-ND1 3.6Å; Y128-H289 AromaticContact CD2-NE2 2.9Å; Y128-H289 WeakPolarHBondContact CD2-NE2 3.38Å; Y128-H289 AromaticContact CE2-CE1 3.23Å; Y128-H289 WeakPolarHBondContact CE2-CE1 3.44Å; Y128-H289 AromaticContact CE2-ND1 3.68Å; Y128-H289 AromaticContact CE2-NE2 3.72Å; Y128-H289 AromaticContact CG-CD2 3.17Å; Y128-H289 AromaticContact CG-CE1 3.42Å; Y128-H289 VanDerWaalsContact CG-CE1 3.42Å; Y128-H289 AromaticContact CG-CG 3.57Å; Y128-H289 AromaticContact CG-ND1 3.72Å; Y128-H289 AromaticContact CG-NE2 3.07Å; Y128-H289 AromaticContact CZ-CE1 3.96Å; Y128-H289 AromaticContact CZ-ND1 3.94Å; L287-H289 PolarHBondContact O-N 3.13Å; H289-Y291 PolarHBondContact O-N 2.82Å |
| 290 | G | 45.7 | Very low | 47.8 | Very low | 14 Ų | 14 | 75.2 Ų | 75.2 | 14% | 0.144 | 36% | 0.364 | C | S | . | . | G | 310 helix | trans | 65.1 | 34.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | H284 L287 P288 R292 | H284-G290 WeakPolarHBondContact NE2-CA 2.96Å; H284-G290 VanDerWaalsContact O-CA 3.25Å; H284-G290 WeakPolarHBondContact O-CA 3.45Å; H284-G290 PolarHBondContact O-N 2.83Å; L287-G290 PolarHBondContact O-N 2.76Å; P288-G290 PolarHBondContact O-N 3.11Å; G290-R292 WeakPolarHBondContact O-CG 3.44Å; G290-R292 PolarHBondContact O-N 2.92Å |
| 291 | Y | 45.8 | Very low | 45.9 | Very low | 44 Ų | 44 | 79 Ų | 79 | 17% | 0.173 | 39% | 0.39 | C | S | . | . | trans | -46.5 | 115.8 | 153.4 | 180 | -109.8 | 0 | 0 | 0 | 106.3 | C96 P121 L287 P288 H289 P293 | C96-Y291 HydrophobicContact CB-CD2 4.43Å; C96-Y291 HydrophobicContact CB-CE2 3.89Å; C96-Y291 VanDerWaalsContact SG-CE2 3.54Å; P121-Y291 HydrophobicContact CB-CD2 3.84Å; P121-Y291 HydrophobicContact CB-CE2 3.78Å; P121-Y291 HydrophobicContact CG-CE2 4.25Å; L287-Y291 HydrophobicContact CD1-CD1 4.39Å; L287-Y291 VanDerWaalsContact CD1-O 3.3Å; L287-Y291 WeakPolarHBondContact CD1-O 3.46Å; P288-Y291 PolarHBondContact O-N 3.49Å; H289-Y291 PolarHBondContact O-N 2.82Å; Y291-P293 VanDerWaalsContact C-CD 3.41Å; Y291-P293 HydrophobicContact CD1-CB 4.39Å; Y291-P293 HydrophobicContact CD1-CG 4.43Å; Y291-P293 HydrophobicContact CE1-CB 3.95Å; Y291-P293 HydrophobicContact CE1-CG 4.47Å; Y291-P293 WeakPolarHBondContact O-CD 3.32Å | ||
| 292 | R | 44.6 | Very low | 44 | Very low | 192 Ų | 192 | 80.2 Ų | 80.2 | 73% | 0.725 | 40% | 0.398 | S | S | * | . | trans | -95 | 86.9 | -179.6 | -73.2 | 175.5 | -173.5 | -164 | -0.4 | 106.5 | G290 Q294 | G290-R292 WeakPolarHBondContact O-CG 3.44Å; G290-R292 PolarHBondContact O-N 2.92Å; R292-Q294 PolarHBondContact O-N 3.23Å; R292-Q294 VanDerWaalsContact O-N 3.08Å | ||
| 293 | P | 35.4 | Very low | 41.6 | Very low | 43 Ų | 43 | 91.3 Ų | 91.3 | 28% | 0.279 | 44% | 0.44 | S | S | . | . | trans | -63.4 | 116.7 | 166.8 | 27.6 | -31.6 | 0 | 0 | 0 | 106.6 | L283 L287 Y291 L295 | L283-P293 HydrophobicContact CD2-CG 4.4Å; L287-P293 VanDerWaalsContact CD1-CD 3.43Å; L287-P293 HydrophobicContact CD1-CG 3.65Å; Y291-P293 VanDerWaalsContact C-CD 3.41Å; Y291-P293 HydrophobicContact CD1-CB 4.39Å; Y291-P293 HydrophobicContact CD1-CG 4.43Å; Y291-P293 HydrophobicContact CE1-CB 3.95Å; Y291-P293 HydrophobicContact CE1-CG 4.47Å; Y291-P293 WeakPolarHBondContact O-CD 3.32Å; P293-L295 HydrophobicContact CB-CD1 3.87Å; P293-L295 HydrophobicContact CG-CD1 3.88Å; P293-L295 PolarHBondContact O-N 3.31Å; P293-L295 VanDerWaalsContact O-N 3.08Å | ||
| 294 | Q | 33.2 | Very low | 39.4 | Very low | 122 Ų | 122 | 97 Ų | 97 | 57% | 0.57 | 47% | 0.47 | S | S | * | . | trans | -70.8 | 94 | 149.2 | -76.8 | -167.8 | -24.6 | 0 | 0 | 105 | T101 R292 D296 | T101-Q294 HydrophobicContact CG2-CB 4.41Å; R292-Q294 PolarHBondContact O-N 3.23Å; R292-Q294 VanDerWaalsContact O-N 3.08Å; Q294-D296 VanDerWaalsContact C-N 3.31Å; Q294-D296 PolarHBondContact O-N 2.91Å | ||
| 295 | L | 30.1 | Very low | 37.4 | Very low | 96 Ų | 96 | 99.4 Ų | 99.4 | 50% | 0.503 | 49% | 0.49 | S | S | . | . | trans | -65.3 | 99.9 | 166 | -92.5 | 105 | 0 | 0 | 0 | 106.8 | L283 P293 H297 | L283-L295 HydrophobicContact CD2-CD1 4.27Å; P293-L295 HydrophobicContact CB-CD1 3.87Å; P293-L295 HydrophobicContact CG-CD1 3.88Å; P293-L295 PolarHBondContact O-N 3.31Å; P293-L295 VanDerWaalsContact O-N 3.08Å; L295-H297 VanDerWaalsContact C-N 3.34Å; L295-H297 PolarHBondContact O-N 3.13Å | ||
| 296 | D | 26.7 | Very low | 35.2 | Very low | 112 Ų | 112 | 100.7 Ų | 100.7 | 60% | 0.599 | 51% | 0.508 | S | S | * | . | trans | -62.7 | 99.8 | 164.3 | -101.2 | -25.5 | 0 | 0 | 0 | 107.5 | Q294 K298 L299 | Q294-D296 VanDerWaalsContact C-N 3.31Å; Q294-D296 PolarHBondContact O-N 2.91Å; D296-K298 PolarHBondContact O-N 3.48Å; D296-L299 PolarHBondContact O-N 3.13Å | ||
| 297 | H | 27.3 | Very low | 33 | Very low | 122 Ų | 122 | 108 Ų | 108 | 57% | 0.565 | 55% | 0.546 | S | S | * | . | G | 310 helix | trans | -59.6 | -4.4 | 174.9 | -71 | -66.9 | 0 | 0 | 0 | 113.3 | L295 L299 F300 | L295-H297 VanDerWaalsContact C-N 3.34Å; L295-H297 PolarHBondContact O-N 3.13Å; H297-L299 PolarHBondContact O-N 3.34Å; H297-L299 VanDerWaalsContact O-N 3.17Å; H297-F300 PolarHBondContact O-N 2.47Å |
| 298 | K | 26.9 | Very low | 31 | Very low | 194 Ų | 194 | 116.1 Ų | 116.1 | 84% | 0.843 | 58% | 0.58 | S | S | * | * | G | 310 helix | trans | -62.6 | -13.9 | 169.9 | -71 | -172.4 | 178.3 | 178.1 | 0 | 114.1 | D296 | D296-K298 PolarHBondContact O-N 3.48Š|
| 299 | L | 22.9 | Very low | 29.4 | Very low | 139 Ų | 139 | 120.4 Ų | 120.4 | 73% | 0.728 | 61% | 0.611 | S | S | * | * | G | 310 helix | trans | -79.3 | -4.7 | 171.2 | -77.7 | 163.8 | 0 | 0 | 0 | 113.7 | D296 H297 | D296-L299 PolarHBondContact O-N 3.13Å; H297-L299 PolarHBondContact O-N 3.34Å; H297-L299 VanDerWaalsContact O-N 3.17Å |
| 300 | F | 22.5 | Very low | 27.8 | Very low | 128 Ų | 128 | 124.1 Ų | 124.1 | 56% | 0.561 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -109.6 | 111.8 | 170.4 | -66.9 | -80.3 | 0 | 0 | 0 | 109.3 | H297 | H297-F300 PolarHBondContact O-N 2.47Š|
| 301 | P | 23 | Very low | 26.7 | Very low | 114 Ų | 114 | 130.9 Ų | 130.9 | 74% | 0.74 | 67% | 0.672 | S | S | * | * | trans | -61.4 | 134.3 | 170.5 | 24.7 | -29.6 | 0 | 0 | 0 | 108.6 | R303 | P301-R303 PolarHBondContact O-N 3.25Š| ||
| 302 | P | 23.9 | Very low | 25.6 | Very low | 104 Ų | 104 | 136 Ų | 136 | 68% | 0.675 | 70% | 0.703 | S | S | * | * | trans | -59.1 | 127.5 | 176.1 | -14.8 | 26.5 | 0 | 0 | 0 | 109 | D304 | P302-D304 PolarHBondContact O-N 3.44Š| ||
| 303 | R | 23.4 | Very low | 24.6 | Very low | 243 Ų | 243 | 135.6 Ų | 135.6 | 92% | 0.917 | 71% | 0.709 | S | S | * | * | trans | -72.7 | 68.1 | 164.6 | -93 | -174.5 | 179 | 170.5 | 0.6 | 108.9 | P301 T305 | P301-R303 PolarHBondContact O-N 3.25Å; R303-T305 VanDerWaalsContact C-N 3.35Å; R303-T305 PolarHBondContact O-N 3.28Å | ||
| 304 | D | 22.1 | Very low | 23.9 | Very low | 143 Ų | 143 | 141.1 Ų | 141.1 | 77% | 0.765 | 74% | 0.735 | S | S | * | * | trans | -94.2 | 70.7 | 167.3 | -71.9 | -25.9 | 0 | 0 | 0 | 108.4 | P302 | P302-D304 PolarHBondContact O-N 3.44Š| ||
| 305 | T | 23.8 | Very low | 23.5 | Very low | 117 Ų | 117 | 141.4 Ų | 141.4 | 72% | 0.718 | 75% | 0.745 | S | S | * | * | trans | -119.7 | 92.8 | 159.9 | 51.3 | 0 | 0 | 0 | 0 | 107.6 | R303 I307 | R303-T305 VanDerWaalsContact C-N 3.35Å; R303-T305 PolarHBondContact O-N 3.28Å; T305-I307 PolarHBondContact O-N 2.57Å | ||
| 306 | S | 22.3 | Very low | 23.1 | Very low | 110 Ų | 110 | 143.2 Ų | 143.2 | 77% | 0.769 | 76% | 0.755 | S | S | * | * | trans | -48.6 | 104.6 | 169.6 | 53.6 | 0 | 0 | 0 | 0 | 110.6 | K308 | S306-K308 PolarHBondContact O-N 3.26Š| ||
| 307 | I | 22.2 | Very low | 23 | Very low | 163 Ų | 163 | 144.2 Ų | 144.2 | 84% | 0.836 | 76% | 0.76 | S | S | * | * | trans | -71.5 | 111.2 | 166.3 | -65.2 | 171.4 | 0 | 0 | 0 | 106 | T305 | T305-I307 PolarHBondContact O-N 2.57Š| ||
| 308 | K | 21.7 | Very low | 22.8 | Very low | 187 Ų | 187 | 144.3 Ų | 144.3 | 81% | 0.813 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 135.4 | 177.3 | -78.9 | 179.1 | 174.1 | 178.5 | 0 | 110 | S306 | S306-K308 PolarHBondContact O-N 3.26Š|
| 309 | S | 21.5 | Very low | 22.9 | Very low | 105 Ų | 105 | 143 Ų | 143 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -50.3 | 135.7 | -179.3 | 47.4 | 0 | 0 | 0 | 0 | 114.1 | ||
| 310 | C | 19.6 | Very low | 23 | Very low | 115 Ų | 115 | 143.9 Ų | 143.9 | 78% | 0.777 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 117.5 | 165.5 | -42 | 0 | 0 | 0 | 0 | 108.3 | ||
| 311 | D | 21.6 | Very low | 22.9 | Very low | 155 Ų | 155 | 142.6 Ų | 142.6 | 83% | 0.829 | 78% | 0.777 | S | S | * | * | trans | -97.8 | 94 | 160.8 | -80.9 | -32.5 | 0 | 0 | 0 | 107.4 | ||||
| 312 | N | 23.7 | Very low | 22.7 | Very low | 152 Ų | 152 | 144.5 Ų | 144.5 | 81% | 0.813 | 78% | 0.781 | S | S | * | * | trans | -100.7 | 118.5 | 166.6 | -97 | -9.8 | 0 | 0 | 0 | 108.7 | ||||
| 313 | Q | 22.1 | Very low | 22.8 | Very low | 184 Ų | 184 | 146 Ų | 146 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | trans | -66.1 | 130.7 | 175.2 | -68.6 | 179.6 | -3.4 | 0 | 0 | 110.2 | ||||
| 314 | I | 21.4 | Very low | 22.7 | Very low | 159 Ų | 159 | 140.1 Ų | 140.1 | 82% | 0.815 | 78% | 0.779 | S | S | * | * | trans | -76 | 115.6 | 171.7 | -64.3 | 161.8 | 0 | 0 | 0 | 107.4 | ||||
| 315 | T | 25.1 | Very low | 22.8 | Very low | 127 Ų | 127 | 142.1 Ų | 142.1 | 78% | 0.779 | 78% | 0.784 | S | S | * | * | trans | -138 | 122.6 | 154.6 | 52.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 316 | N | 21.7 | Very low | 22.7 | Very low | 135 Ų | 135 | 143.4 Ų | 143.4 | 72% | 0.722 | 79% | 0.786 | S | S | * | * | trans | -35.7 | 139 | 167.2 | -64.9 | -29.7 | 0 | 0 | 0 | 113.5 | ||||
| 317 | D | 25.1 | Very low | 22.8 | Very low | 132 Ų | 132 | 144.2 Ų | 144.2 | 71% | 0.706 | 79% | 0.792 | S | S | * | * | 178.6 | 121.8 | 107.6 | -88.7 | -27.2 | 0 | 0 | 0 | 110.8 | |||||
| 318 | N | 23.1 | Very low | 22.6 | Very low | 125 Ų | 125 | 147.5 Ų | 147.5 | 67% | 0.668 | 79% | 0.793 | S | S | * | * | trans | 39.2 | 113.1 | 132.6 | -46.7 | -37.9 | 0 | 0 | 0 | 117.8 | ||||
| 319 | N | 28.4 | Very low | 22.6 | Very low | 166 Ų | 166 | 147.9 Ų | 147.9 | 89% | 0.888 | 80% | 0.798 | S | S | * | * | -172.3 | 140.4 | 121.1 | -83.5 | -31.9 | 0 | 0 | 0 | 111 | |||||
| 320 | D | 24.6 | Very low | 22.6 | Very low | 157 Ų | 157 | 147.4 Ų | 147.4 | 84% | 0.84 | 80% | 0.801 | S | S | * | * | trans | -62.4 | 162.6 | -161.3 | -82.9 | -48.9 | 0 | 0 | 0 | 118.5 | ||||
| 321 | P | 21.6 | Very low | 22.4 | Very low | 102 Ų | 102 | 148.6 Ų | 148.6 | 66% | 0.662 | 81% | 0.809 | S | S | * | * | trans | -86.9 | 169.1 | 171 | 37.5 | -33.3 | 0 | 0 | 0 | 112.8 | ||||
| 322 | L | 18.6 | Very low | 22.3 | Very low | 154 Ų | 154 | 145.7 Ų | 145.7 | 81% | 0.806 | 80% | 0.801 | S | S | * | * | trans | 97.4 | 98.1 | 164.1 | -64.7 | 141.4 | 0 | 0 | 0 | 118.4 | ||||
| 323 | T | 25.4 | Very low | 22.1 | Very low | 135 Ų | 135 | 148.3 Ų | 148.3 | 83% | 0.828 | 81% | 0.808 | S | S | * | * | trans | -154.8 | 95.6 | 138.4 | 51.2 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 324 | V | 21.9 | Very low | 21.9 | Very low | 119 Ų | 119 | 145.5 Ų | 145.5 | 72% | 0.721 | 80% | 0.803 | S | S | * | * | 42.9 | 107.5 | 91.6 | -158.2 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 325 | E | 24.2 | Very low | 21.8 | Very low | 186 Ų | 186 | 146.4 Ų | 146.4 | 87% | 0.869 | 80% | 0.802 | S | S | * | * | 171.5 | 137.2 | 110 | -90.9 | -169.3 | 157.1 | 0 | 0 | 112.3 | |||||
| 326 | D | 20.6 | Very low | 21.6 | Very low | 143 Ų | 143 | 148.4 Ų | 148.4 | 77% | 0.765 | 81% | 0.807 | S | S | * | * | trans | -64.4 | 144.1 | -179.6 | -74.5 | -61.6 | 0 | 0 | 0 | 113.5 | ||||
| 327 | S | 23.9 | Very low | 21.5 | Very low | 128 Ų | 128 | 148.3 Ų | 148.3 | 90% | 0.895 | 81% | 0.811 | S | S | * | * | trans | -146.1 | 88.4 | 153.7 | -70.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 328 | R | 18.7 | Very low | 21.2 | Very low | 231 Ų | 231 | 144.7 Ų | 144.7 | 87% | 0.872 | 81% | 0.806 | S | S | * | * | trans | -87.7 | 109 | 163.2 | -81.7 | 177.1 | 154.3 | 138.1 | -5.6 | 107.9 | ||||
| 329 | E | 22.6 | Very low | 21.3 | Very low | 195 Ų | 195 | 148.3 Ų | 148.3 | 91% | 0.911 | 82% | 0.815 | S | S | * | * | trans | -137.6 | 126.9 | 159 | -81.8 | -168.7 | 158.4 | 0 | 0 | 111.9 | ||||
| 330 | A | 20.2 | Very low | 21 | Very low | 95 Ų | 95 | 146.5 Ų | 146.5 | 79% | 0.785 | 81% | 0.81 | S | S | * | * | trans | 59.4 | 90.7 | 146.9 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 331 | C | 16.7 | Very low | 20.9 | Very low | 140 Ų | 140 | 145.1 Ų | 145.1 | 95% | 0.946 | 81% | 0.81 | S | S | * | * | trans | -83.4 | 112.8 | 147 | -171.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 332 | S | 18.1 | Very low | 20.9 | Very low | 95 Ų | 95 | 148.1 Ų | 148.1 | 66% | 0.664 | 82% | 0.819 | S | S | * | * | trans | -176.5 | 100.6 | 162.4 | 42.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 333 | Q | 20.3 | Very low | 21.2 | Very low | 207 Ų | 207 | 148.5 Ų | 148.5 | 97% | 0.967 | 82% | 0.821 | S | S | * | * | trans | -163.4 | 116.4 | 136.4 | -105.3 | 166.6 | 31 | 0 | 0 | 109.7 | ||||
| 334 | V | 18.8 | Very low | 21 | Very low | 124 Ų | 124 | 148.9 Ų | 148.9 | 75% | 0.752 | 82% | 0.818 | S | S | * | * | trans | -106.2 | 129.7 | -170.5 | 147.4 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 335 | F | 18.3 | Very low | 21 | Very low | 179 Ų | 179 | 150.2 Ų | 150.2 | 79% | 0.785 | 83% | 0.826 | S | S | * | * | trans | 54.6 | 112.9 | 152.5 | -66.6 | -110.7 | 0 | 0 | 0 | 118.6 | V337 | F335-V337 HydrophobicContact CD1-CG2 4.3Š| ||
| 336 | D | 20.9 | Very low | 20.9 | Very low | 169 Ų | 169 | 145.8 Ų | 145.8 | 90% | 0.904 | 82% | 0.816 | S | S | * | * | trans | -122 | 96 | 155.9 | -145.3 | -3.8 | 0 | 0 | 0 | 108.9 | ||||
| 337 | V | 19 | Very low | 21.1 | Very low | 132 Ų | 132 | 144.7 Ų | 144.7 | 80% | 0.8 | 82% | 0.818 | S | S | * | * | trans | -99.8 | 103.4 | 174.9 | 173.8 | 0 | 0 | 0 | 0 | 106.9 | F335 | F335-V337 HydrophobicContact CD1-CG2 4.3Š| ||
| 338 | G | 19.5 | Very low | 20.9 | Very low | 57 Ų | 57 | 147.1 Ų | 147.1 | 59% | 0.588 | 82% | 0.82 | S | S | * | * | trans | 172.6 | 101 | 172 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 339 | K | 24.2 | Very low | 21.1 | Very low | 200 Ų | 200 | 140.7 Ų | 140.7 | 87% | 0.87 | 81% | 0.808 | S | S | * | * | trans | 175 | 110.3 | 136.5 | -94.7 | 157 | -172.6 | 178.6 | 0 | 111.9 | ||||
| 340 | T | 22.6 | Very low | 21.2 | Very low | 128 Ų | 128 | 136.5 Ų | 136.5 | 79% | 0.785 | 81% | 0.807 | S | S | * | * | trans | 46.1 | 121 | 138.7 | 54.1 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 341 | P | 22.9 | Very low | 21.3 | Very low | 128 Ų | 128 | 137.3 Ų | 137.3 | 83% | 0.831 | 81% | 0.807 | S | S | * | * | trans | -88.8 | 120.4 | 175.5 | 34.5 | -28.2 | 0 | 0 | 0 | 111.4 | ||||
| 342 | L | 21.2 | Very low | 21.6 | Very low | 165 Ų | 165 | 135.6 Ų | 135.6 | 86% | 0.864 | 80% | 0.796 | S | S | * | * | trans | -160.7 | 85 | 163.7 | -104.3 | 160.9 | 0 | 0 | 0 | 107 | ||||
| 343 | I | 26.1 | Very low | 21.8 | Very low | 163 Ų | 163 | 137.3 Ų | 137.3 | 84% | 0.836 | 80% | 0.797 | S | S | * | * | trans | -131.1 | 106 | 163.9 | -58.5 | -179.8 | 0 | 0 | 0 | 106.9 | T345 | I343-T345 PolarHBondContact O-N 3.45Š| ||
| 344 | D | 20.8 | Very low | 21.8 | Very low | 143 Ų | 143 | 132.6 Ų | 132.6 | 77% | 0.765 | 79% | 0.787 | S | S | * | * | trans | -51.1 | 128.9 | 172.5 | -100.8 | -39.7 | 0 | 0 | 0 | 110.9 | S346 | D344-S346 PolarHBondContact O-N 2.93Š| ||
| 345 | T | 22.2 | Very low | 22 | Very low | 147 Ų | 147 | 131 Ų | 131 | 90% | 0.902 | 78% | 0.781 | S | S | * | * | trans | -82.8 | 66.2 | 175.6 | -45.9 | 0 | 0 | 0 | 0 | 109 | I343 | I343-T345 PolarHBondContact O-N 3.45Š| ||
| 346 | S | 22.3 | Very low | 22.2 | Very low | 92 Ų | 92 | 133.6 Ų | 133.6 | 64% | 0.643 | 79% | 0.787 | S | S | * | * | trans | -109 | 102.9 | 172.6 | 62.6 | 0 | 0 | 0 | 0 | 110.7 | D344 | D344-S346 PolarHBondContact O-N 2.93Š| ||
| 347 | C | 22.9 | Very low | 22.2 | Very low | 121 Ų | 121 | 128.6 Ų | 128.6 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | trans | 41.2 | 95 | 145.9 | -59.5 | 0 | 0 | 0 | 0 | 117.8 | P349 | C347-P349 WeakPolarHBondContact O-CD 3.41Š| ||
| 348 | L | 21.5 | Very low | 22.4 | Very low | 179 Ų | 179 | 126.7 Ų | 126.7 | 94% | 0.937 | 76% | 0.758 | S | S | * | * | trans | -77.1 | 118.9 | 150.4 | -86.2 | 156.7 | 0 | 0 | 0 | 108.5 | ||||
| 349 | P | 23.2 | Very low | 22.6 | Very low | 95 Ų | 95 | 131 Ų | 131 | 62% | 0.617 | 76% | 0.758 | S | S | * | * | trans | -68 | 144.7 | -179.6 | -14.3 | 28.3 | 0 | 0 | 0 | 111.7 | C347 S351 | C347-P349 WeakPolarHBondContact O-CD 3.41Å; P349-S351 PolarHBondContact O-N 3.15Å | ||
| 350 | A | 23.8 | Very low | 22.6 | Very low | 108 Ų | 108 | 126.3 Ų | 126.3 | 89% | 0.893 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -70.8 | 31.5 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 351 | S | 23.2 | Very low | 23.1 | Very low | 111 Ų | 111 | 126.5 Ų | 126.5 | 78% | 0.776 | 74% | 0.736 | S | S | * | * | trans | -103.5 | 13.5 | -170.7 | 55.3 | 0 | 0 | 0 | 0 | 116 | P349 | P349-S351 PolarHBondContact O-N 3.15Š| ||
| 352 | S | 21.8 | Very low | 23.9 | Very low | 104 Ų | 104 | 123.3 Ų | 123.3 | 73% | 0.727 | 71% | 0.712 | S | S | * | * | trans | -133.9 | 28.5 | -179.6 | 50.9 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 353 | I | 22.1 | Very low | 25.3 | Very low | 132 Ų | 132 | 118.2 Ų | 118.2 | 68% | 0.677 | 69% | 0.688 | S | S | * | * | trans | -107.7 | 74.8 | 169 | -51.6 | 176.6 | 0 | 0 | 0 | 108.8 | ||||
| 354 | S | 20.2 | Very low | 26.5 | Very low | 108 Ų | 108 | 114.9 Ų | 114.9 | 76% | 0.755 | 68% | 0.68 | S | S | * | * | trans | -113.3 | 75.1 | 167.1 | 59.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 355 | S | 23.4 | Very low | 28.3 | Very low | 91 Ų | 91 | 112.1 Ų | 112.1 | 64% | 0.636 | 66% | 0.659 | S | S | * | * | S | Bend | trans | 172.7 | 133.4 | 159.5 | 29.3 | 0 | 0 | 0 | 0 | 106.9 | S357 | S355-S357 PolarHBondContact O-N 3.39Š|
| 356 | Y | 22.6 | Very low | 30.4 | Very low | 233 Ų | 233 | 107.4 Ų | 107.4 | 91% | 0.914 | 63% | 0.625 | S | S | * | * | trans | -66.1 | 77.4 | 170.3 | -72.7 | -94.4 | 0 | 0 | 0 | 108.7 | S358 | Y356-S358 PolarHBondContact O-N 3.35Š| ||
| 357 | S | 21 | Very low | 32.1 | Very low | 63 Ų | 63 | 107.3 Ų | 107.3 | 44% | 0.441 | 62% | 0.624 | S | S | . | * | trans | -81 | 104.3 | 155.2 | 62 | 0 | 0 | 0 | 0 | 105.8 | S355 Y359 | S355-S357 PolarHBondContact O-N 3.39Å; S357-Y359 VanDerWaalsContact C-N 3.27Å; S357-Y359 WeakPolarHBondContact O-CD2 3.3Å; S357-Y359 PolarHBondContact O-N 3.33Å | ||
| 358 | S | 23.4 | Very low | 34.2 | Very low | 92 Ų | 92 | 107.2 Ų | 107.2 | 64% | 0.643 | 61% | 0.612 | S | S | * | * | trans | -56.1 | 98.7 | 164.1 | -56.1 | 0 | 0 | 0 | 0 | 106.6 | Y356 T360 | Y356-S358 PolarHBondContact O-N 3.35Å; S358-T360 PolarHBondContact O-N 3.13Å | ||
| 359 | Y | 23.1 | Very low | 36.7 | Very low | 148 Ų | 148 | 101.6 Ų | 101.6 | 58% | 0.58 | 59% | 0.586 | S | S | * | * | trans | -64.6 | 93.2 | 169.4 | -67.7 | -84.1 | 0 | 0 | 0 | 106.8 | S357 F361 | S357-Y359 VanDerWaalsContact C-N 3.27Å; S357-Y359 WeakPolarHBondContact O-CD2 3.3Å; S357-Y359 PolarHBondContact O-N 3.33Å; Y359-F361 VanDerWaalsContact C-N 3.26Å; Y359-F361 HydrophobicContact CD1-CZ 4.48Å; Y359-F361 AromaticContact CG-CE2 3.98Å; Y359-F361 HydrophobicContact CG-CE2 3.98Å; Y359-F361 HydrophobicContact CG-CZ 4.25Å; Y359-F361 VanDerWaalsContact O-CD2 3.3Å; Y359-F361 WeakPolarHBondContact O-CD2 3.39Å; Y359-F361 PolarHBondContact O-N 3.47Å | ||
| 360 | T | 23.7 | Very low | 39.5 | Very low | 102 Ų | 102 | 97.4 Ų | 97.4 | 63% | 0.626 | 56% | 0.558 | S | S | * | * | trans | -68.3 | 91.1 | 167.1 | 48.7 | 0 | 0 | 0 | 0 | 106.5 | S358 L362 | S358-T360 PolarHBondContact O-N 3.13Å; T360-L362 VanDerWaalsContact C-N 3.29Å; T360-L362 VanDerWaalsContact O-O 3.1Å | ||
| 361 | F | 33.5 | Very low | 42.1 | Very low | 132 Ų | 132 | 92.6 Ų | 92.6 | 58% | 0.579 | 52% | 0.519 | S | S | * | . | trans | -83.5 | -4.8 | 177.7 | -78.7 | -79.8 | 0 | 0 | 0 | 112.7 | Y91 Y359 P363 | Y91-F361 HydrophobicContact CD2-CB 4.12Å; Y91-F361 HydrophobicContact CD2-CD2 4.43Å; Y91-F361 HydrophobicContact CD2-CG 4.44Å; Y91-F361 HydrophobicContact CE1-CB 4.02Å; Y91-F361 HydrophobicContact CE2-CB 3.35Å; Y91-F361 AromaticContact CE2-CD2 3.83Å; Y91-F361 HydrophobicContact CE2-CD2 3.83Å; Y91-F361 AromaticContact CE2-CG 3.9Å; Y91-F361 HydrophobicContact CE2-CG 3.9Å; Y91-F361 WeakPolarHBondContact OH-CB 3.24Å; Y359-F361 VanDerWaalsContact C-N 3.26Å; Y359-F361 HydrophobicContact CD1-CZ 4.48Å; Y359-F361 AromaticContact CG-CE2 3.98Å; Y359-F361 HydrophobicContact CG-CE2 3.98Å; Y359-F361 HydrophobicContact CG-CZ 4.25Å; Y359-F361 VanDerWaalsContact O-CD2 3.3Å; Y359-F361 WeakPolarHBondContact O-CD2 3.39Å; Y359-F361 PolarHBondContact O-N 3.47Å; F361-P363 WeakPolarHBondContact O-CD 3.16Å | ||
| 362 | L | 40.7 | Very low | 44.6 | Very low | 60 Ų | 60 | 93.8 Ų | 93.8 | 31% | 0.314 | 51% | 0.512 | S | S | . | . | S | Bend | trans | -61.3 | 129.8 | 153.4 | -71.3 | 176.5 | 0 | 0 | 0 | 106.7 | Y91 T360 S364 Y366 | Y91-L362 PolarHBondContact OH-N 3.48Å; T360-L362 VanDerWaalsContact C-N 3.29Å; T360-L362 VanDerWaalsContact O-O 3.1Å; L362-S364 PolarHBondContact O-N 3.41Å; L362-Y366 HydrophobicContact CB-CD2 4.2Å; L362-Y366 HydrophobicContact CD2-CD2 4.16Å |
| 363 | P | 49.6 | Very low | 47 | Very low | 58 Ų | 58 | 91.9 Ų | 91.9 | 38% | 0.377 | 49% | 0.491 | S | S | . | . | trans | -40.2 | 135 | 167.5 | -30.9 | 32.2 | 0 | 0 | 0 | 109.7 | F361 R365 Y366 | F361-P363 WeakPolarHBondContact O-CD 3.16Å; P363-R365 HydrophobicContact CB-CB 4.24Å; P363-R365 PolarHBondContact O-N 3.43Å; P363-Y366 HydrophobicContact CB-CD2 4.07Å; P363-Y366 HydrophobicContact CB-CE2 4.23Å; P363-Y366 HydrophobicContact CG-CD2 4.02Å; P363-Y366 HydrophobicContact CG-CE2 3.84Å; P363-Y366 PolarHBondContact O-N 3.35Å | ||
| 364 | S | 50.9 | Low | 49.7 | Very low | 94 Ų | 94 | 86 Ų | 86 | 66% | 0.657 | 46% | 0.462 | S | S | * | . | G | 310 helix | trans | -48.5 | -29.3 | -179.3 | 50.9 | 0 | 0 | 0 | 0 | 112.1 | L362 Y366 S367 | L362-S364 PolarHBondContact O-N 3.41Å; S364-Y366 VanDerWaalsContact C-N 3.28Å; S364-Y366 PolarHBondContact O-N 3.33Å; S364-S367 WeakPolarHBondContact O-CB 3.34Å; S364-S367 PolarHBondContact O-N 3.03Å; S364-S367 PolarHBondContact O-OG 3.04Å |
| 365 | R | 59.5 | Low | 52.8 | Low | 85 Ų | 85 | 84.2 Ų | 84.2 | 32% | 0.321 | 45% | 0.446 | S | S | . | . | G | 310 helix | trans | -42.2 | -47.6 | 168.3 | -156.7 | -176.1 | -75.9 | -173.4 | -1.6 | 114.3 | L33 N36 E41 P363 S367 E368 | L33-R365 VanDerWaalsContact CD2-NH2 3.32Å; N36-R365 PolarHBondContact ND2-O 3.38Å; N36-R365 WeakPolarHBondContact OD1-CG 3.25Å; E41-R365 IonicContact OE2-NH1 2.78Å; P363-R365 HydrophobicContact CB-CB 4.24Å; P363-R365 PolarHBondContact O-N 3.43Å; R365-S367 PolarHBondContact O-N 2.74Å; R365-E368 PolarHBondContact O-N 2.98Å |
| 366 | Y | 65 | Low | 55.6 | Low | 48 Ų | 48 | 84.6 Ų | 84.6 | 19% | 0.188 | 44% | 0.438 | C | S | . | . | G | 310 helix | trans | -75.3 | -5.5 | -176.9 | -63.3 | -63.4 | 0 | 0 | 0 | 114.4 | E41 L283 L286 L362 P363 S364 H370 | E41-Y366 PolarHBondContact OE1-OH 3.29Å; L283-Y366 HydrophobicContact CD1-CD1 4.36Å; L286-Y366 HydrophobicContact CB-CD1 4.4Å; L286-Y366 HydrophobicContact CB-CE1 3.87Å; L286-Y366 HydrophobicContact CD1-CD1 4.15Å; L286-Y366 HydrophobicContact CD1-CE1 3.94Å; L286-Y366 HydrophobicContact CG-CE1 4.38Å; L362-Y366 HydrophobicContact CB-CD2 4.2Å; L362-Y366 HydrophobicContact CD2-CD2 4.16Å; P363-Y366 HydrophobicContact CB-CD2 4.07Å; P363-Y366 HydrophobicContact CB-CE2 4.23Å; P363-Y366 HydrophobicContact CG-CD2 4.02Å; P363-Y366 HydrophobicContact CG-CE2 3.84Å; P363-Y366 PolarHBondContact O-N 3.35Å; S364-Y366 VanDerWaalsContact C-N 3.28Å; S364-Y366 PolarHBondContact O-N 3.33Å; Y366-H370 AromaticContact CD1-CE1 3.9Å; Y366-H370 AromaticContact CD1-NE2 3.49Å; Y366-H370 WeakPolarHBondContact CD1-NE2 3.29Å |
| 367 | S | 59.4 | Low | 58.7 | Low | 90 Ų | 90 | 75.6 Ų | 75.6 | 63% | 0.629 | 41% | 0.411 | S | S | * | . | G | 310 helix | trans | -86.1 | -18.7 | 174.1 | 71.7 | 0 | 0 | 0 | 0 | 113 | S364 R365 | S364-S367 WeakPolarHBondContact O-CB 3.34Å; S364-S367 PolarHBondContact O-N 3.03Å; S364-S367 PolarHBondContact O-OG 3.04Å; R365-S367 PolarHBondContact O-N 2.74Å |
| 368 | E | 65.5 | Low | 62 | Low | 119 Ų | 119 | 72.6 Ų | 72.6 | 56% | 0.556 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -94.9 | 144.5 | 176.6 | -66.8 | -177.6 | -175.3 | 0 | 0 | 110.5 | N36 R365 H370 | N36-E368 PolarHBondContact ND2-O 3.39Å; R365-E368 PolarHBondContact O-N 2.98Å; E368-H370 PolarHBondContact O-CE1 3.11Å; E368-H370 PolarHBondContact O-N 3.14Å; E368-H370 PolarHBondContact O-ND1 3.26Å |
| 369 | P | 74 | Confident | 65 | Low | 60 Ų | 60 | 72.1 Ų | 72.1 | 39% | 0.39 | 38% | 0.375 | S | S | . | . | P | Polyproline II helix | trans | -61.7 | 133.6 | 178.4 | 24.2 | -34.4 | 0 | 0 | 0 | 112 | D280 Q372 | D280-P369 WeakPolarHBondContact OD2-CA 3.18Å; P369-Q372 HydrophobicContact CB-CG 3.78Å; P369-Q372 HydrophobicContact CG-CG 3.89Å |
| 370 | H | 82.5 | Confident | 68.2 | Low | 8 Ų | 8 | 69.4 Ų | 69.4 | 4% | 0.037 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -95 | 143.9 | -176.9 | -52.7 | 76.6 | 0 | 0 | 0 | 111.8 | N36 L37 D280 W282 L286 Y366 E368 Q372 | N36-H370 PolarHBondContact ND2-CD2 3.09Å; N36-H370 PolarHBondContact O-CD2 3.49Å; L37-H370 HydrophobicContact CD2-CB 3.98Å; L37-H370 HydrophobicContact CG-CB 4.18Å; D280-H370 IonicContact OD2-CE1 2.84Å; D280-H370 IonicContact OD2-CG 2.87Å; D280-H370 PolarHBondContact OD2-N 2.89Å; D280-H370 IonicContact OD2-ND1 3.24Å; D280-H370 PolarHBondContact OD2-ND1 2.84Å; W282-H370 HydrophobicContact CB-CB 3.79Å; W282-H370 HydrophobicContact CG-CB 4.44Å; L286-H370 HydrophobicContact CD1-CB 4.36Å; L286-H370 WeakPolarHBondContact CD1-CD2 3.28Å; L286-H370 WeakPolarHBondContact CD1-NE2 3.28Å; Y366-H370 AromaticContact CD1-CE1 3.9Å; Y366-H370 AromaticContact CD1-NE2 3.49Å; Y366-H370 WeakPolarHBondContact CD1-NE2 3.29Å; E368-H370 PolarHBondContact O-CE1 3.11Å; E368-H370 PolarHBondContact O-N 3.14Å; E368-H370 PolarHBondContact O-ND1 3.26Å; H370-Q372 VanDerWaalsContact C-N 3.35Å; H370-Q372 PolarHBondContact O-N 3.01Å |
| 371 | G | 78.4 | Confident | 71.6 | Confident | 7 Ų | 7 | 68.1 Ų | 68.1 | 7% | 0.072 | 35% | 0.354 | C | S | . | . | S | Bend | trans | 68.6 | 27.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | D35 H373 L374 | D35-G371 PolarHBondContact O-N 3.31Å; G371-H373 VanDerWaalsContact C-N 3.3Å; G371-H373 PolarHBondContact O-N 3.01Å; G371-L374 WeakPolarHBondContact O-CB 3.01Å; G371-L374 PolarHBondContact O-N 2.96Å |
| 372 | Q | 75.2 | Confident | 74.4 | Confident | 136 Ų | 136 | 61.9 Ų | 61.9 | 64% | 0.636 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -30.8 | -173.9 | -68.1 | -164.5 | -55.3 | 0 | 0 | 114.3 | P369 H370 | P369-Q372 HydrophobicContact CB-CG 3.78Å; P369-Q372 HydrophobicContact CG-CG 3.89Å; H370-Q372 VanDerWaalsContact C-N 3.35Å; H370-Q372 PolarHBondContact O-N 3.01Å |
| 373 | H | 72.5 | Confident | 76.8 | Confident | 63 Ų | 63 | 61.4 Ų | 61.4 | 29% | 0.292 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -2.8 | 179.4 | -47.6 | 111.9 | 0 | 0 | 0 | 113.3 | D35 S233 G371 T375 | D35-H373 WeakPolarHBondContact OD1-CB 2.97Å; D35-H373 IonicContact OD1-CG 3Å; D35-H373 VanDerWaalsContact OD1-CG 3.28Å; D35-H373 PolarHBondContact OD1-N 2.91Å; D35-H373 IonicContact OD1-ND1 2.75Å; D35-H373 PolarHBondContact OD1-ND1 3.29Å; S233-H373 PolarHBondContact OG-NE2 3.46Å; G371-H373 VanDerWaalsContact C-N 3.3Å; G371-H373 PolarHBondContact O-N 3.01Å; H373-T375 PolarHBondContact O-N 3.19Å |
| 374 | L | 80.6 | Confident | 78.8 | Confident | 10 Ų | 10 | 63.9 Ų | 63.9 | 5% | 0.052 | 33% | 0.331 | C | S | . | . | trans | -76.5 | 110.2 | 178.8 | -62.4 | 173.1 | 0 | 0 | 0 | 111 | L37 L42 W282 G371 D378 | L37-L374 HydrophobicContact CD1-CD1 4.26Å; L42-L374 HydrophobicContact CD1-CD1 3.45Å; L42-L374 VanDerWaalsContact CD1-CD1 3.45Å; L42-L374 HydrophobicContact CD1-CD2 4.23Å; L42-L374 HydrophobicContact CD1-CG 4.49Å; W282-L374 HydrophobicContact CH2-CD1 3.49Å; W282-L374 VanDerWaalsContact CH2-CD1 3.49Å; W282-L374 HydrophobicContact CZ2-CD1 3.68Å; W282-L374 HydrophobicContact CZ3-CD1 4.14Å; G371-L374 WeakPolarHBondContact O-CB 3.01Å; G371-L374 PolarHBondContact O-N 2.96Å; L374-D378 HydrophobicContact CB-CB 4.43Å; L374-D378 HydrophobicContact CD2-CB 4.13Å | ||
| 375 | T | 83.7 | Confident | 80.9 | Confident | 69 Ų | 69 | 59.4 Ų | 59.4 | 42% | 0.423 | 30% | 0.299 | S | S | . | . | trans | -71.3 | 164.7 | 174.8 | 71 | 0 | 0 | 0 | 0 | 111.3 | H373 A377 D378 R379 | H373-T375 PolarHBondContact O-N 3.19Å; T375-A377 PolarHBondContact O-N 3.45Å; T375-A377 PolarHBondContact OG1-N 2.91Å; T375-D378 VanDerWaalsContact CB-OD2 3.31Å; T375-D378 WeakPolarHBondContact CB-OD2 3.32Å; T375-D378 PolarHBondContact N-OD2 3.23Å; T375-D378 WeakPolarHBondContact O-CB 3.11Å; T375-D378 PolarHBondContact O-N 2.83Å; T375-D378 VanDerWaalsContact O-N 3.07Å; T375-D378 PolarHBondContact OG1-N 3.44Å; T375-D378 PolarHBondContact OG1-OD2 2.85Å; T375-R379 PolarHBondContact O-N 3.19Å; T375-R379 VanDerWaalsContact O-N 3.08Å | ||
| 376 | Q | 83.3 | Confident | 82.5 | Confident | 99 Ų | 99 | 55.4 Ų | 55.4 | 46% | 0.463 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -56.6 | -35.6 | 171.5 | -177.9 | 59.3 | 36.3 | 0 | 0 | 111.9 | R379 D380 | Q376-R379 WeakPolarHBondContact O-CB 3.47Å; Q376-R379 PolarHBondContact O-N 2.95Å; Q376-R379 VanDerWaalsContact OE1-CZ 3.24Å; Q376-D380 PolarHBondContact NE2-OD1 3.44Å; Q376-D380 VanDerWaalsContact O-CG 3.26Å; Q376-D380 PolarHBondContact O-N 2.93Å |
| 377 | A | 87.5 | Confident | 83.8 | Confident | 44 Ų | 44 | 56.2 Ų | 56.2 | 36% | 0.364 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -67.2 | -35.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | T375 D380 R381 | T375-A377 PolarHBondContact O-N 3.45Å; T375-A377 PolarHBondContact OG1-N 2.91Å; A377-D380 PolarHBondContact O-N 3.48Å; A377-R381 WeakPolarHBondContact O-CG 3.5Å; A377-R381 PolarHBondContact O-N 3.48Å |
| 378 | D | 89.5 | Confident | 85.3 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.8 | -46.1 | 171.7 | -64.1 | -62.2 | 0 | 0 | 0 | 110.7 | I229 F230 L374 T375 D380 R381 I382 | I229-D378 WeakPolarHBondContact CA-OD1 3.31Å; F230-D378 PolarHBondContact N-OD1 3.25Å; L374-D378 HydrophobicContact CB-CB 4.43Å; L374-D378 HydrophobicContact CD2-CB 4.13Å; T375-D378 VanDerWaalsContact CB-OD2 3.31Å; T375-D378 WeakPolarHBondContact CB-OD2 3.32Å; T375-D378 PolarHBondContact N-OD2 3.23Å; T375-D378 WeakPolarHBondContact O-CB 3.11Å; T375-D378 PolarHBondContact O-N 2.83Å; T375-D378 VanDerWaalsContact O-N 3.07Å; T375-D378 PolarHBondContact OG1-N 3.44Å; T375-D378 PolarHBondContact OG1-OD2 2.85Å; D378-D380 VanDerWaalsContact C-N 3.31Å; D378-D380 PolarHBondContact O-N 2.72Å; D378-R381 VanDerWaalsContact CG-NH2 3.31Å; D378-R381 WeakPolarHBondContact O-CB 3.33Å; D378-R381 PolarHBondContact O-N 2.91Å; D378-R381 VanDerWaalsContact O-N 3.14Å; D378-R381 IonicContact OD1-CZ 3.65Å; D378-R381 IonicContact OD1-NE 3.35Å; D378-R381 IonicContact OD1-NH2 2.72Å; D378-R381 PolarHBondContact OD1-NH2 3.45Å; D378-R381 IonicContact OD2-NH2 3.69Å; D378-I382 VanDerWaalsContact O-CG1 3.29Å; D378-I382 WeakPolarHBondContact O-CG1 3.38Å; D378-I382 PolarHBondContact O-N 2.89Å |
| 379 | R | 87.4 | Confident | 86.7 | Confident | 83 Ų | 83 | 47.9 Ų | 47.9 | 31% | 0.313 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -57.7 | -43.5 | 176.9 | -64.4 | -167.2 | -76 | -121.2 | 3.7 | 112 | F46 W282 T375 Q376 I382 H383 | F46-R379 HydrophobicContact CE1-CB 4.15Å; F46-R379 WeakPolarHBondContact CE1-O 3.21Å; F46-R379 HydrophobicContact CZ-CB 3.87Å; F46-R379 HydrophobicContact CZ-CG 4.09Å; W282-R379 HydrophobicContact CH2-CG 4.09Å; T375-R379 PolarHBondContact O-N 3.19Å; T375-R379 VanDerWaalsContact O-N 3.08Å; Q376-R379 WeakPolarHBondContact O-CB 3.47Å; Q376-R379 PolarHBondContact O-N 2.95Å; Q376-R379 VanDerWaalsContact OE1-CZ 3.24Å; R379-I382 PolarHBondContact O-N 3.39Å; R379-H383 WeakPolarHBondContact O-CB 3.37Å; R379-H383 PolarHBondContact O-N 2.89Å |
| 380 | D | 90.3 | Very high | 87.7 | Confident | 91 Ų | 91 | 45 Ų | 45 | 49% | 0.487 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -66.4 | -37.8 | 177.8 | -65.3 | -20.8 | 0 | 0 | 0 | 111.8 | Q376 A377 D378 M384 | Q376-D380 PolarHBondContact NE2-OD1 3.44Å; Q376-D380 VanDerWaalsContact O-CG 3.26Å; Q376-D380 PolarHBondContact O-N 2.93Å; A377-D380 PolarHBondContact O-N 3.48Å; D378-D380 VanDerWaalsContact C-N 3.31Å; D378-D380 PolarHBondContact O-N 2.72Å; D380-M384 VanDerWaalsContact O-CB 3.31Å; D380-M384 WeakPolarHBondContact O-CB 3.21Å; D380-M384 PolarHBondContact O-N 2.87Å |
| 381 | R | 93.9 | Very high | 88.1 | Confident | 75 Ų | 75 | 47.1 Ų | 47.1 | 28% | 0.283 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -65.4 | -43.8 | 174.3 | -76.5 | -172.3 | -68.4 | -90.3 | 5.2 | 112.2 | L227 T228 A377 D378 M384 F385 | L227-R381 HydrophobicContact CD1-CB 4.09Å; T228-R381 WeakPolarHBondContact O-CD 3.42Å; T228-R381 PolarHBondContact O-NE 3.4Å; A377-R381 WeakPolarHBondContact O-CG 3.5Å; A377-R381 PolarHBondContact O-N 3.48Å; D378-R381 VanDerWaalsContact CG-NH2 3.31Å; D378-R381 WeakPolarHBondContact O-CB 3.33Å; D378-R381 PolarHBondContact O-N 2.91Å; D378-R381 VanDerWaalsContact O-N 3.14Å; D378-R381 IonicContact OD1-CZ 3.65Å; D378-R381 IonicContact OD1-NE 3.35Å; D378-R381 IonicContact OD1-NH2 2.72Å; D378-R381 PolarHBondContact OD1-NH2 3.45Å; D378-R381 IonicContact OD2-NH2 3.69Å; R381-M384 PolarHBondContact O-N 3.34Å; R381-F385 PolarHBondContact O-N 2.87Å |
| 382 | I | 92.4 | Very high | 88.7 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.6 | -44.5 | 176.9 | -62.3 | 161.2 | 0 | 0 | 0 | 110.4 | L42 L43 F46 L227 D378 R379 M384 F385 V386 | L42-I382 HydrophobicContact CD1-CD1 3.81Å; L42-I382 HydrophobicContact CD2-CD1 4.19Å; L42-I382 HydrophobicContact CG-CD1 3.98Å; L43-I382 HydrophobicContact CD2-CG2 3.72Å; F46-I382 HydrophobicContact CB-CG2 4.4Å; F46-I382 HydrophobicContact CD2-CB 4.11Å; F46-I382 HydrophobicContact CD2-CG2 3.32Å; F46-I382 HydrophobicContact CE2-CB 3.98Å; F46-I382 HydrophobicContact CE2-CD1 4.23Å; F46-I382 HydrophobicContact CE2-CG2 3.61Å; F46-I382 HydrophobicContact CG-CG2 3.86Å; F46-I382 HydrophobicContact CZ-CB 4.31Å; F46-I382 HydrophobicContact CZ-CG2 4.38Å; L227-I382 HydrophobicContact CD1-CG1 4.26Å; L227-I382 HydrophobicContact CD2-CG1 4.48Å; D378-I382 VanDerWaalsContact O-CG1 3.29Å; D378-I382 WeakPolarHBondContact O-CG1 3.38Å; D378-I382 PolarHBondContact O-N 2.89Å; R379-I382 PolarHBondContact O-N 3.39Å; I382-M384 VanDerWaalsContact C-N 3.32Å; I382-M384 PolarHBondContact O-N 3.27Å; I382-F385 WeakPolarHBondContact O-CB 3.42Å; I382-F385 PolarHBondContact O-N 3.42Å; I382-V386 PolarHBondContact O-N 3.21Å; I382-V386 VanDerWaalsContact O-N 3.09Å |
| 383 | H | 90.8 | Very high | 89.5 | Confident | 51 Ų | 51 | 44.6 Ų | 44.6 | 24% | 0.236 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59.7 | -43.5 | 174.7 | -177 | -75.9 | 0 | 0 | 0 | 111.5 | F46 S50 R379 F385 V386 Y387 | F46-H383 HydrophobicContact CD1-CB 3.65Å; F46-H383 HydrophobicContact CE1-CB 4.07Å; S50-H383 PolarHBondContact OG-CE1 2.82Å; S50-H383 PolarHBondContact OG-NE2 3.17Å; R379-H383 WeakPolarHBondContact O-CB 3.37Å; R379-H383 PolarHBondContact O-N 2.89Å; H383-F385 VanDerWaalsContact C-N 3.34Å; H383-F385 PolarHBondContact O-N 3.19Å; H383-V386 PolarHBondContact O-N 3.48Å; H383-Y387 WeakPolarHBondContact O-CB 3.44Å; H383-Y387 PolarHBondContact O-N 3.47Å |
| 384 | M | 92 | Very high | 90.6 | Very high | 110 Ų | 110 | 41.6 Ų | 41.6 | 54% | 0.542 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -63.2 | -39.9 | 176.9 | -171.2 | 60.4 | 65 | 0 | 0 | 111.9 | D380 R381 I382 Y387 D388 | D380-M384 VanDerWaalsContact O-CB 3.31Å; D380-M384 WeakPolarHBondContact O-CB 3.21Å; D380-M384 PolarHBondContact O-N 2.87Å; R381-M384 PolarHBondContact O-N 3.34Å; I382-M384 VanDerWaalsContact C-N 3.32Å; I382-M384 PolarHBondContact O-N 3.27Å; M384-Y387 PolarHBondContact O-N 2.99Å; M384-Y387 HydrophobicContact SD-CD1 4.43Å; M384-D388 WeakPolarHBondContact O-CB 3.33Å; M384-D388 PolarHBondContact O-N 3.42Å |
| 385 | F | 94.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -57.5 | -52 | 174.4 | 157.6 | -116.7 | 0 | 0 | 0 | 111.8 | F39 L43 I149 F192 V194 H225 L227 R381 I382 H383 Y387 D388 F389 | F39-F385 HydrophobicContact CZ-CE1 4.46Å; L43-F385 HydrophobicContact CD1-CE1 4Å; L43-F385 HydrophobicContact CD2-CD1 3.9Å; L43-F385 HydrophobicContact CD2-CE1 3.71Å; I149-F385 HydrophobicContact CD1-CZ 4.14Å; I149-F385 HydrophobicContact CG2-CZ 4.37Å; F192-F385 HydrophobicContact CD1-CE2 4.39Å; F192-F385 AromaticContact CE1-CE2 3.94Å; F192-F385 HydrophobicContact CE1-CE2 3.94Å; V194-F385 HydrophobicContact CG1-CE2 4.45Å; V194-F385 HydrophobicContact CG2-CD2 4.27Å; V194-F385 HydrophobicContact CG2-CE2 3.34Å; V194-F385 HydrophobicContact CG2-CZ 3.65Å; H225-F385 HydrophobicContact CB-CD2 4.19Å; H225-F385 AromaticContact CD2-CD2 3.67Å; H225-F385 AromaticContact CG-CD2 3.82Å; L227-F385 HydrophobicContact CD1-CB 4.41Å; L227-F385 HydrophobicContact CD2-CD1 4.41Å; R381-F385 PolarHBondContact O-N 2.87Å; I382-F385 WeakPolarHBondContact O-CB 3.42Å; I382-F385 PolarHBondContact O-N 3.42Å; H383-F385 VanDerWaalsContact C-N 3.34Å; H383-F385 PolarHBondContact O-N 3.19Å; F385-Y387 VanDerWaalsContact C-N 3.31Å; F385-Y387 PolarHBondContact O-N 2.81Å; F385-D388 PolarHBondContact O-N 3.38Å; F385-F389 HydrophobicContact CE2-CB 4.36Å; F385-F389 WeakPolarHBondContact O-CB 3.42Å; F385-F389 PolarHBondContact O-N 2.8Å |
| 386 | V | 94 | Very high | 91.6 | Very high | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.006 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.9 | -40.4 | -178.9 | 178.2 | 0 | 0 | 0 | 0 | 111.2 | L43 F46 L49 L70 F72 I382 H383 S390 | L43-V386 HydrophobicContact CD2-CG2 4.17Å; F46-V386 HydrophobicContact CB-CG2 4.07Å; F46-V386 WeakPolarHBondContact O-CG1 3.17Å; L49-V386 HydrophobicContact CD2-CG1 3.94Å; L70-V386 HydrophobicContact CD1-CG1 4.48Å; F72-V386 HydrophobicContact CE2-CG1 4.27Å; F72-V386 HydrophobicContact CE2-CG2 4.46Å; F72-V386 HydrophobicContact CZ-CG1 4.01Å; F72-V386 HydrophobicContact CZ-CG2 4.37Å; I382-V386 PolarHBondContact O-N 3.21Å; I382-V386 VanDerWaalsContact O-N 3.09Å; H383-V386 PolarHBondContact O-N 3.48Å; V386-S390 WeakPolarHBondContact O-CB 3.36Å; V386-S390 PolarHBondContact O-N 3.1Å; V386-S390 VanDerWaalsContact O-N 3.09Å; V386-S390 PolarHBondContact O-OG 2.85Å |
| 387 | Y | 92.7 | Very high | 92.1 | Very high | 65 Ų | 65 | 37.9 Ų | 37.9 | 26% | 0.255 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -64.3 | -46.2 | 175.4 | -178.7 | -95.1 | 0 | 0 | 0 | 112.3 | L49 K51 H383 M384 F385 S390 V391 | L49-Y387 HydrophobicContact CD2-CD2 4.48Å; K51-Y387 HydrophobicContact CB-CE2 4.16Å; K51-Y387 HydrophobicContact CD-CE2 4.31Å; H383-Y387 WeakPolarHBondContact O-CB 3.44Å; H383-Y387 PolarHBondContact O-N 3.47Å; M384-Y387 PolarHBondContact O-N 2.99Å; M384-Y387 HydrophobicContact SD-CD1 4.43Å; F385-Y387 VanDerWaalsContact C-N 3.31Å; F385-Y387 PolarHBondContact O-N 2.81Å; Y387-S390 WeakPolarHBondContact O-CB 3.22Å; Y387-S390 PolarHBondContact O-N 2.75Å; Y387-V391 HydrophobicContact CD1-CG2 4.36Å; Y387-V391 HydrophobicContact CD2-CG2 4.27Å; Y387-V391 HydrophobicContact CE1-CG2 3.95Å; Y387-V391 HydrophobicContact CE2-CG2 3.86Å; Y387-V391 WeakPolarHBondContact O-CG2 3.33Å; Y387-V391 PolarHBondContact O-N 3.34Å |
| 388 | D | 91.3 | Very high | 92.4 | Very high | 33 Ų | 33 | 35.8 Ų | 35.8 | 18% | 0.176 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.3 | -48.5 | 178.4 | -179.7 | 49.4 | 0 | 0 | 0 | 111.3 | H225 M384 F385 S390 V391 R392 | H225-D388 IonicContact CE1-OD2 3.18Å; H225-D388 IonicContact CG-OD2 2.76Å; H225-D388 IonicContact ND1-OD2 3.89Å; H225-D388 PolarHBondContact ND1-OD2 3.42Å; M384-D388 WeakPolarHBondContact O-CB 3.33Å; M384-D388 PolarHBondContact O-N 3.42Å; F385-D388 PolarHBondContact O-N 3.38Å; D388-S390 VanDerWaalsContact C-N 3.27Å; D388-S390 PolarHBondContact O-N 2.88Å; D388-V391 PolarHBondContact O-N 2.69Å; D388-R392 WeakPolarHBondContact O-CA 3.46Å; D388-R392 WeakPolarHBondContact O-CB 3.49Å; D388-R392 PolarHBondContact O-N 3.33Å; D388-R392 WeakPolarHBondContact OD1-CD 3.19Å; D388-R392 IonicContact OD1-CZ 2.96Å; D388-R392 IonicContact OD1-NE 3.63Å; D388-R392 PolarHBondContact OD1-NE 2.82Å; D388-R392 IonicContact OD1-NH2 3.95Å; D388-R392 IonicContact OD2-CZ 3.49Å; D388-R392 IonicContact OD2-NE 2.92Å; D388-R392 PolarHBondContact OD2-NE 3.25Å; D388-R392 IonicContact OD2-NH2 4Å; D388-R392 PolarHBondContact OD2-NH2 2.88Å |
| 389 | F | 95 | Very high | 92.5 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | I | π-helix | trans | -53.5 | -46.3 | 173.3 | 166.2 | -105.9 | 0 | 0 | 0 | 111.8 | V20 L70 A147 I149 L190 F192 F385 A393 L394 | V20-F389 HydrophobicContact CG1-CE1 4.22Å; V20-F389 HydrophobicContact CG1-CZ 3.95Å; V20-F389 HydrophobicContact CG2-CE1 3.96Å; V20-F389 HydrophobicContact CG2-CZ 4.12Å; L70-F389 HydrophobicContact CD1-CD1 4.2Å; L70-F389 HydrophobicContact CD1-CE1 4.09Å; A147-F389 HydrophobicContact CB-CE2 4.3Å; A147-F389 HydrophobicContact CB-CZ 3.84Å; I149-F389 HydrophobicContact CD1-CD1 4.27Å; I149-F389 HydrophobicContact CD1-CD2 4.17Å; I149-F389 HydrophobicContact CD1-CE1 4.16Å; I149-F389 HydrophobicContact CD1-CE2 4.05Å; I149-F389 HydrophobicContact CD1-CG 4.27Å; I149-F389 HydrophobicContact CD1-CZ 4.05Å; I149-F389 HydrophobicContact CG1-CD2 4.41Å; I149-F389 HydrophobicContact CG1-CE2 4.01Å; I149-F389 HydrophobicContact CG1-CZ 4.23Å; L190-F389 HydrophobicContact CD2-CE2 4.21Å; F192-F389 HydrophobicContact CB-CD2 3.95Å; F192-F389 HydrophobicContact CB-CE2 3.84Å; F192-F389 AromaticContact CD1-CD2 3.69Å; F192-F389 HydrophobicContact CD1-CD2 3.69Å; F192-F389 HydrophobicContact CD1-CE2 4.42Å; F192-F389 AromaticContact CD2-CD2 3.82Å; F192-F389 HydrophobicContact CD2-CD2 3.82Å; F192-F389 HydrophobicContact CD2-CE2 4.35Å; F192-F389 HydrophobicContact CE1-CB 4.19Å; F192-F389 HydrophobicContact CE1-CD2 4.09Å; F192-F389 HydrophobicContact CE2-CD2 4.21Å; F192-F389 AromaticContact CG-CD2 3.53Å; F192-F389 HydrophobicContact CG-CD2 3.53Å; F192-F389 AromaticContact CG-CE2 3.97Å; F192-F389 HydrophobicContact CG-CE2 3.97Å; F192-F389 HydrophobicContact CZ-CB 4.3Å; F192-F389 HydrophobicContact CZ-CD2 4.33Å; F385-F389 HydrophobicContact CE2-CB 4.36Å; F385-F389 WeakPolarHBondContact O-CB 3.42Å; F385-F389 PolarHBondContact O-N 2.8Å; F389-A393 HydrophobicContact CD2-CB 4.46Å; F389-A393 WeakPolarHBondContact O-CB 3.44Å; F389-A393 PolarHBondContact O-N 3.41Å; F389-A393 VanDerWaalsContact O-N 3.17Å; F389-L394 HydrophobicContact CE1-CB 4.23Å; F389-L394 HydrophobicContact CE1-CD2 4.07Å; F389-L394 HydrophobicContact CZ-CB 4.22Å; F389-L394 HydrophobicContact CZ-CD1 4.49Å; F389-L394 PolarHBondContact O-N 3.5Å |
| 390 | S | 93.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 19% | 0.191 | C | C | . | . | I | π-helix | trans | -64.6 | -49.1 | -177.1 | -58.4 | 0 | 0 | 0 | 0 | 112.6 | L70 V386 Y387 D388 L395 | L70-S390 WeakPolarHBondContact CD1-OG 3.32Å; V386-S390 WeakPolarHBondContact O-CB 3.36Å; V386-S390 PolarHBondContact O-N 3.1Å; V386-S390 VanDerWaalsContact O-N 3.09Å; V386-S390 PolarHBondContact O-OG 2.85Å; Y387-S390 WeakPolarHBondContact O-CB 3.22Å; Y387-S390 PolarHBondContact O-N 2.75Å; D388-S390 VanDerWaalsContact C-N 3.27Å; D388-S390 PolarHBondContact O-N 2.88Å; S390-L395 WeakPolarHBondContact O-CG 3.46Å; S390-L395 PolarHBondContact O-N 3.2Å |
| 391 | V | 91.8 | Very high | 92.8 | Very high | 53 Ų | 53 | 36.9 Ų | 36.9 | 32% | 0.321 | 17% | 0.173 | S | C | . | . | I | π-helix | trans | -81.9 | -41 | -173.9 | 178.6 | 0 | 0 | 0 | 0 | 112.2 | V53 Y387 D388 P396 | V53-V391 HydrophobicContact CG1-CG2 3.89Å; Y387-V391 HydrophobicContact CD1-CG2 4.36Å; Y387-V391 HydrophobicContact CD2-CG2 4.27Å; Y387-V391 HydrophobicContact CE1-CG2 3.95Å; Y387-V391 HydrophobicContact CE2-CG2 3.86Å; Y387-V391 WeakPolarHBondContact O-CG2 3.33Å; Y387-V391 PolarHBondContact O-N 3.34Å; D388-V391 PolarHBondContact O-N 2.69Å; V391-P396 VanDerWaalsContact O-CD 3.27Å; V391-P396 WeakPolarHBondContact O-CD 3.46Å |
| 392 | R | 90.5 | Very high | 92.6 | Very high | 84 Ų | 84 | 33.5 Ų | 33.5 | 32% | 0.317 | 16% | 0.16 | S | C | . | . | I | π-helix | trans | -84.2 | -29.7 | -172.3 | -167.6 | 162.5 | 61 | 116 | 5.3 | 113 | A221 C224 D388 | A221-R392 PolarHBondContact O-NH1 3.43Å; C224-R392 PolarHBondContact O-NH2 3.3Å; D388-R392 WeakPolarHBondContact O-CA 3.46Å; D388-R392 WeakPolarHBondContact O-CB 3.49Å; D388-R392 PolarHBondContact O-N 3.33Å; D388-R392 WeakPolarHBondContact OD1-CD 3.19Å; D388-R392 IonicContact OD1-CZ 2.96Å; D388-R392 IonicContact OD1-NE 3.63Å; D388-R392 PolarHBondContact OD1-NE 2.82Å; D388-R392 IonicContact OD1-NH2 3.95Å; D388-R392 IonicContact OD2-CZ 3.49Å; D388-R392 IonicContact OD2-NE 2.92Å; D388-R392 PolarHBondContact OD2-NE 3.25Å; D388-R392 IonicContact OD2-NH2 4Å; D388-R392 PolarHBondContact OD2-NH2 2.88Å |
| 393 | A | 93.1 | Very high | 92.5 | Very high | 6 Ų | 6 | 37 Ų | 37 | 5% | 0.05 | 17% | 0.173 | C | C | . | . | I | π-helix | trans | -121.1 | -56.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | L190 F192 F389 W397 | L190-A393 HydrophobicContact CD1-CB 4.41Å; L190-A393 HydrophobicContact CD2-CB 4.07Å; F192-A393 HydrophobicContact CD2-CB 3.56Å; F192-A393 HydrophobicContact CE2-CB 3.62Å; F389-A393 HydrophobicContact CD2-CB 4.46Å; F389-A393 WeakPolarHBondContact O-CB 3.44Å; F389-A393 PolarHBondContact O-N 3.41Å; F389-A393 VanDerWaalsContact O-N 3.17Å; A393-W397 WeakPolarHBondContact O-CB 3.38Å; A393-W397 PolarHBondContact O-N 3.43Å; A393-W397 VanDerWaalsContact O-N 3.16Å |
| 394 | L | 94.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 18% | 0.18 | C | C | . | . | I | π-helix | trans | -63.5 | -54 | -170.9 | -176.1 | 62.6 | 0 | 0 | 0 | 112.7 | L70 L146 A147 L190 F389 W397 V398 F529 | L70-L394 HydrophobicContact CD1-CD2 4.16Å; L70-L394 HydrophobicContact CD2-CD2 3.68Å; L146-L394 HydrophobicContact CB-CD1 4.31Å; A147-L394 HydrophobicContact CB-CD1 4.35Å; L190-L394 HydrophobicContact CD2-CB 4.25Å; L190-L394 HydrophobicContact CD2-CD1 4.12Å; F389-L394 HydrophobicContact CE1-CB 4.23Å; F389-L394 HydrophobicContact CE1-CD2 4.07Å; F389-L394 HydrophobicContact CZ-CB 4.22Å; F389-L394 HydrophobicContact CZ-CD1 4.49Å; F389-L394 PolarHBondContact O-N 3.5Å; L394-W397 WeakPolarHBondContact O-CB 3.49Å; L394-W397 PolarHBondContact O-N 3.25Å; L394-V398 HydrophobicContact CD1-CG2 4.3Å; L394-V398 HydrophobicContact CG-CG2 4.39Å; L394-V398 WeakPolarHBondContact O-CG2 3.34Å; L394-V398 PolarHBondContact O-N 3.09Å; L394-F529 HydrophobicContact CD2-CZ 4.42Å; L394-F529 HydrophobicContact CG-CZ 4.41Å |
| 395 | L | 92.8 | Very high | 92.2 | Very high | 5 Ų | 5 | 32.1 Ų | 32.1 | 3% | 0.026 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64.1 | -46.2 | -177.1 | -71.8 | 169.7 | 0 | 0 | 0 | 113.6 | V53 F55 S390 W397 V398 E399 F529 | V53-L395 HydrophobicContact CB-CD1 3.95Å; V53-L395 HydrophobicContact CG1-CD1 3.11Å; F55-L395 HydrophobicContact CB-CD2 4.22Å; S390-L395 WeakPolarHBondContact O-CG 3.46Å; S390-L395 PolarHBondContact O-N 3.2Å; L395-W397 PolarHBondContact O-N 3.41Å; L395-V398 WeakPolarHBondContact O-CB 3.48Å; L395-V398 PolarHBondContact O-N 3.23Å; L395-V398 VanDerWaalsContact O-N 3.15Å; L395-E399 WeakPolarHBondContact O-CG 3.26Å; L395-E399 PolarHBondContact O-N 2.89Å; L395-F529 HydrophobicContact CD2-CD1 3.69Å; L395-F529 HydrophobicContact CD2-CE1 3.53Å |
| 396 | P | 92.4 | Very high | 91.9 | Very high | 59 Ų | 59 | 33.6 Ų | 33.6 | 38% | 0.383 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -57.5 | -37.1 | 173.5 | -27.7 | 36 | 0 | 0 | 0 | 113.5 | V391 K400 | V391-P396 VanDerWaalsContact O-CD 3.27Å; V391-P396 WeakPolarHBondContact O-CD 3.46Å; P396-K400 WeakPolarHBondContact O-CB 3.44Å; P396-K400 PolarHBondContact O-N 3.4Å; P396-K400 VanDerWaalsContact O-N 3.1Å |
| 397 | W | 93.7 | Very high | 91.4 | Very high | 35 Ų | 35 | 36.6 Ų | 36.6 | 13% | 0.133 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65.9 | -46.8 | 174.9 | 179.5 | 92.1 | 0 | 0 | 0 | 111.4 | L146 F185 T186 L190 A393 L394 L395 E399 K400 T401 | L146-W397 HydrophobicContact CB-CH2 4.42Å; L146-W397 HydrophobicContact CB-CZ3 3.98Å; L146-W397 WeakPolarHBondContact O-CH2 3.18Å; F185-W397 HydrophobicContact CD1-CH2 4.13Å; T186-W397 HydrophobicContact CG2-CZ2 4.39Å; L190-W397 HydrophobicContact CB-CB 4.47Å; L190-W397 HydrophobicContact CB-CD2 3.99Å; L190-W397 HydrophobicContact CB-CG 3.88Å; L190-W397 HydrophobicContact CD1-CB 4.24Å; L190-W397 HydrophobicContact CD1-CG 4.29Å; L190-W397 HydrophobicContact CD2-CB 4.12Å; L190-W397 HydrophobicContact CD2-CG 4.4Å; L190-W397 HydrophobicContact CG-CG 4.42Å; A393-W397 WeakPolarHBondContact O-CB 3.38Å; A393-W397 PolarHBondContact O-N 3.43Å; A393-W397 VanDerWaalsContact O-N 3.16Å; L394-W397 WeakPolarHBondContact O-CB 3.49Å; L394-W397 PolarHBondContact O-N 3.25Å; L395-W397 PolarHBondContact O-N 3.41Å; W397-E399 PolarHBondContact O-N 2.92Å; W397-K400 PolarHBondContact O-N 2.89Å; W397-T401 HydrophobicContact CH2-CG2 4.43Å; W397-T401 WeakPolarHBondContact O-CB 3.48Å; W397-T401 PolarHBondContact O-N 3.02Å; W397-T401 PolarHBondContact O-OG1 2.91Å |
| 398 | V | 93.2 | Very high | 91 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -55.9 | -48.9 | 176 | 168.8 | 0 | 0 | 0 | 0 | 110.7 | L394 L395 K400 T401 M402 L525 F529 | L394-V398 HydrophobicContact CD1-CG2 4.3Å; L394-V398 HydrophobicContact CG-CG2 4.39Å; L394-V398 WeakPolarHBondContact O-CG2 3.34Å; L394-V398 PolarHBondContact O-N 3.09Å; L395-V398 WeakPolarHBondContact O-CB 3.48Å; L395-V398 PolarHBondContact O-N 3.23Å; L395-V398 VanDerWaalsContact O-N 3.15Å; V398-K400 VanDerWaalsContact C-N 3.34Å; V398-K400 PolarHBondContact O-N 3.14Å; V398-T401 PolarHBondContact O-N 3.24Å; V398-M402 HydrophobicContact CG1-SD 4.13Å; V398-M402 WeakPolarHBondContact O-CG 3.22Å; V398-M402 PolarHBondContact O-N 3.48Å; V398-L525 HydrophobicContact CG1-CD2 3.78Å; V398-L525 HydrophobicContact CG1-CG 4.39Å; V398-F529 HydrophobicContact CB-CE2 4.27Å; V398-F529 HydrophobicContact CB-CZ 4.3Å; V398-F529 HydrophobicContact CG1-CD1 4.41Å; V398-F529 HydrophobicContact CG1-CD2 3.71Å; V398-F529 HydrophobicContact CG1-CE1 4.43Å; V398-F529 HydrophobicContact CG1-CE2 3.74Å; V398-F529 HydrophobicContact CG1-CG 4.08Å; V398-F529 HydrophobicContact CG1-CZ 4.13Å; V398-F529 HydrophobicContact CG2-CD2 4.29Å; V398-F529 HydrophobicContact CG2-CE1 4.07Å; V398-F529 HydrophobicContact CG2-CE2 3.46Å; V398-F529 VanDerWaalsContact CG2-CE2 3.46Å; V398-F529 HydrophobicContact CG2-CZ 3.34Å |
| 399 | E | 92.7 | Very high | 90.6 | Very high | 31 Ų | 31 | 35.4 Ų | 35.4 | 15% | 0.145 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -58.9 | -43.5 | 177.9 | -69.3 | -174.7 | -177.6 | 0 | 0 | 112.6 | F55 R56 L395 W397 R403 | F55-E399 WeakPolarHBondContact CA-OE1 3.3Å; F55-E399 HydrophobicContact CB-CG 4.07Å; F55-E399 HydrophobicContact CD2-CG 4.02Å; R56-E399 PolarHBondContact N-OE1 3.22Å; R56-E399 WeakPolarHBondContact O-CG 3.39Å; L395-E399 WeakPolarHBondContact O-CG 3.26Å; L395-E399 PolarHBondContact O-N 2.89Å; W397-E399 PolarHBondContact O-N 2.92Å; E399-R403 WeakPolarHBondContact O-CB 3.41Å; E399-R403 WeakPolarHBondContact O-CG 3.26Å; E399-R403 PolarHBondContact O-N 3.43Å; E399-R403 IonicContact OE2-CZ 3.93Å; E399-R403 IonicContact OE2-NH1 3.44Å; E399-R403 PolarHBondContact OE2-NH1 3.36Å; E399-R403 IonicContact OE2-NH2 3.39Å; E399-R403 PolarHBondContact OE2-NH2 2.97Å |
| 400 | K | 91 | Very high | 89.7 | Confident | 149 Ų | 149 | 36.4 Ų | 36.4 | 65% | 0.648 | 18% | 0.184 | S | C | * | . | H | α-helix | trans | -64.5 | -42.4 | 177.1 | -175.8 | -177.5 | 176.7 | -175.9 | 0 | 111 | P396 W397 V398 R403 S404 | P396-K400 WeakPolarHBondContact O-CB 3.44Å; P396-K400 PolarHBondContact O-N 3.4Å; P396-K400 VanDerWaalsContact O-N 3.1Å; W397-K400 PolarHBondContact O-N 2.89Å; V398-K400 VanDerWaalsContact C-N 3.34Å; V398-K400 PolarHBondContact O-N 3.14Å; K400-R403 PolarHBondContact O-N 2.76Å; K400-S404 WeakPolarHBondContact O-CB 3.24Å; K400-S404 PolarHBondContact O-N 2.94Å |
| 401 | T | 92.1 | Very high | 88.4 | Confident | 17 Ų | 17 | 43.5 Ų | 43.5 | 10% | 0.104 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65.1 | -43.9 | 178.4 | -61.3 | 0 | 0 | 0 | 0 | 111.3 | F185 T186 W397 V398 R403 S404 L405 | F185-T401 HydrophobicContact CE1-CG2 4.13Å; T186-T401 HydrophobicContact CG2-CG2 4.48Å; W397-T401 HydrophobicContact CH2-CG2 4.43Å; W397-T401 WeakPolarHBondContact O-CB 3.48Å; W397-T401 PolarHBondContact O-N 3.02Å; W397-T401 PolarHBondContact O-OG1 2.91Å; V398-T401 PolarHBondContact O-N 3.24Å; T401-R403 PolarHBondContact O-N 3.09Å; T401-S404 PolarHBondContact O-N 3.29Å; T401-L405 HydrophobicContact CG2-CD1 4.13Å; T401-L405 HydrophobicContact CG2-CG 4.49Å; T401-L405 WeakPolarHBondContact O-CB 3.49Å; T401-L405 WeakPolarHBondContact O-CG 3.39Å; T401-L405 PolarHBondContact O-N 2.81Å |
| 402 | M | 90.7 | Very high | 87.2 | Confident | 4 Ų | 4 | 47.4 Ų | 47.4 | 2% | 0.02 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.6 | -44.9 | 174 | -70.9 | -178.2 | 76.4 | 0 | 0 | 112.1 | F55 V398 L405 N406 L522 L525 A526 | F55-M402 HydrophobicContact CE2-CE 4.44Å; F55-M402 HydrophobicContact CE2-SD 3.7Å; F55-M402 HydrophobicContact CZ-SD 4.46Å; V398-M402 HydrophobicContact CG1-SD 4.13Å; V398-M402 WeakPolarHBondContact O-CG 3.22Å; V398-M402 PolarHBondContact O-N 3.48Å; M402-L405 PolarHBondContact O-N 3.37Å; M402-N406 WeakPolarHBondContact O-CB 3.32Å; M402-N406 PolarHBondContact O-N 2.96Å; M402-N406 PolarHBondContact O-ND2 2.95Å; M402-L522 HydrophobicContact CB-CD1 4.35Å; M402-L522 HydrophobicContact CE-CD1 4.42Å; M402-L522 HydrophobicContact CG-CD1 4.39Å; M402-L525 HydrophobicContact CB-CD2 4.42Å; M402-L525 HydrophobicContact CG-CD2 3.08Å; M402-L525 HydrophobicContact SD-CD2 3.77Å; M402-A526 HydrophobicContact CE-CB 4.23Å |
| 403 | R | 89.2 | Confident | 85.5 | Confident | 73 Ų | 73 | 46.9 Ų | 46.9 | 28% | 0.275 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -59.5 | -48.1 | 175.9 | -79.9 | -175.4 | -69.9 | -94.1 | -0 | 111.5 | E399 K400 T401 L405 N406 D407 | E399-R403 WeakPolarHBondContact O-CB 3.41Å; E399-R403 WeakPolarHBondContact O-CG 3.26Å; E399-R403 PolarHBondContact O-N 3.43Å; E399-R403 IonicContact OE2-CZ 3.93Å; E399-R403 IonicContact OE2-NH1 3.44Å; E399-R403 PolarHBondContact OE2-NH1 3.36Å; E399-R403 IonicContact OE2-NH2 3.39Å; E399-R403 PolarHBondContact OE2-NH2 2.97Å; K400-R403 PolarHBondContact O-N 2.76Å; T401-R403 PolarHBondContact O-N 3.09Å; R403-L405 PolarHBondContact O-N 3.23Å; R403-N406 PolarHBondContact O-N 3.4Å; R403-D407 PolarHBondContact O-N 2.71Å |
| 404 | S | 89.6 | Confident | 83.5 | Confident | 54 Ų | 54 | 58.1 Ų | 58.1 | 38% | 0.378 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -59.7 | -46.6 | 178.1 | -173.7 | 0 | 0 | 0 | 0 | 112.5 | K400 T401 D407 Q408 | K400-S404 WeakPolarHBondContact O-CB 3.24Å; K400-S404 PolarHBondContact O-N 2.94Å; T401-S404 PolarHBondContact O-N 3.29Å; S404-D407 PolarHBondContact O-N 3.47Å; S404-Q408 WeakPolarHBondContact O-CB 3.48Å; S404-Q408 WeakPolarHBondContact O-CG 2.95Å; S404-Q408 PolarHBondContact O-N 3.23Å; S404-Q408 PolarHBondContact OG-NE2 2.99Å; S404-Q408 VanDerWaalsContact OG-NE2 3.15Å |
| 405 | L | 88.4 | Confident | 81.2 | Confident | 6 Ų | 6 | 61.6 Ų | 61.6 | 3% | 0.031 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.9 | -46.2 | 178.6 | -73.6 | 172.6 | 0 | 0 | 0 | 111 | T401 M402 R403 D407 Q408 I409 Q518 R521 L522 | T401-L405 HydrophobicContact CG2-CD1 4.13Å; T401-L405 HydrophobicContact CG2-CG 4.49Å; T401-L405 WeakPolarHBondContact O-CB 3.49Å; T401-L405 WeakPolarHBondContact O-CG 3.39Å; T401-L405 PolarHBondContact O-N 2.81Å; M402-L405 PolarHBondContact O-N 3.37Å; R403-L405 PolarHBondContact O-N 3.23Å; L405-D407 PolarHBondContact O-N 3.2Å; L405-Q408 PolarHBondContact O-N 3.06Å; L405-I409 VanDerWaalsContact O-CD1 3.29Å; L405-I409 WeakPolarHBondContact O-CD1 3.29Å; L405-I409 WeakPolarHBondContact O-CG1 3.45Å; L405-I409 PolarHBondContact O-N 3.29Å; L405-Q518 HydrophobicContact CD2-CB 4.27Å; L405-Q518 HydrophobicContact CD2-CG 4.35Å; L405-R521 HydrophobicContact CD1-CB 4.19Å; L405-L522 HydrophobicContact CB-CB 4.38Å; L405-L522 HydrophobicContact CB-CD1 4.3Å; L405-L522 HydrophobicContact CD1-CB 4.29Å |
| 406 | N | 86.8 | Confident | 78.8 | Confident | 30 Ų | 30 | 64.4 Ų | 64.4 | 16% | 0.16 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.2 | -43.8 | 176.9 | -87.8 | -41.5 | 0 | 0 | 0 | 112.8 | N58 M402 R403 I409 A410 L522 | N58-N406 WeakPolarHBondContact ND2-CB 3.42Å; N58-N406 PolarHBondContact ND2-ND2 3.41Å; N58-N406 PolarHBondContact OD1-ND2 2.84Å; M402-N406 WeakPolarHBondContact O-CB 3.32Å; M402-N406 PolarHBondContact O-N 2.96Å; M402-N406 PolarHBondContact O-ND2 2.95Å; R403-N406 PolarHBondContact O-N 3.4Å; N406-I409 PolarHBondContact O-N 3.36Å; N406-A410 WeakPolarHBondContact O-CB 3.38Å; N406-A410 PolarHBondContact O-N 3.06Å; N406-L522 WeakPolarHBondContact OD1-CD2 3.33Å |
| 407 | D | 84.7 | Confident | 76.5 | Confident | 64 Ų | 64 | 70.6 Ų | 70.6 | 34% | 0.342 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -64.5 | -42.9 | 177.1 | -75.5 | -25.8 | 0 | 0 | 0 | 111 | R403 S404 L405 A410 H411 | R403-D407 PolarHBondContact O-N 2.71Å; S404-D407 PolarHBondContact O-N 3.47Å; L405-D407 PolarHBondContact O-N 3.2Å; D407-A410 PolarHBondContact O-N 2.67Å; D407-H411 WeakPolarHBondContact O-CB 3.5Å; D407-H411 PolarHBondContact O-CD2 3.02Å; D407-H411 PolarHBondContact O-N 3.27Å |
| 408 | Q | 84.4 | Confident | 74.2 | Confident | 73 Ų | 73 | 72.1 Ų | 72.1 | 34% | 0.341 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -62 | -43.5 | 177.3 | -72.3 | 170.1 | 13 | 0 | 0 | 112.6 | S404 L405 H411 R412 | S404-Q408 WeakPolarHBondContact O-CB 3.48Å; S404-Q408 WeakPolarHBondContact O-CG 2.95Å; S404-Q408 PolarHBondContact O-N 3.23Å; S404-Q408 PolarHBondContact OG-NE2 2.99Å; S404-Q408 VanDerWaalsContact OG-NE2 3.15Å; L405-Q408 PolarHBondContact O-N 3.06Å; Q408-H411 PolarHBondContact O-N 2.95Å; Q408-R412 PolarHBondContact O-N 2.93Å |
| 409 | I | 81.9 | Confident | 71.7 | Confident | 0 Ų | 0 | 77.5 Ų | 77.5 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -63.5 | -45.7 | 176.6 | -65.9 | 158.1 | 0 | 0 | 0 | 110.4 | L405 N406 H411 R412 M413 F420 Q518 M519 L522 | L405-I409 VanDerWaalsContact O-CD1 3.29Å; L405-I409 WeakPolarHBondContact O-CD1 3.29Å; L405-I409 WeakPolarHBondContact O-CG1 3.45Å; L405-I409 PolarHBondContact O-N 3.29Å; N406-I409 PolarHBondContact O-N 3.36Å; I409-H411 PolarHBondContact O-N 3.44Å; I409-R412 PolarHBondContact O-N 3.05Å; I409-M413 PolarHBondContact O-N 3.28Å; I409-F420 HydrophobicContact CG2-CE2 4.06Å; I409-F420 HydrophobicContact CG2-CZ 4Å; I409-Q518 HydrophobicContact CD1-CB 4.25Å; I409-Q518 HydrophobicContact CG1-CB 3.87Å; I409-M519 HydrophobicContact CD1-CB 4.36Å; I409-M519 HydrophobicContact CD1-CG 3.71Å; I409-M519 HydrophobicContact CG1-CG 3.98Å; I409-M519 HydrophobicContact CG2-CG 3.84Å; I409-M519 HydrophobicContact CG2-SD 4.27Å; I409-L522 HydrophobicContact CD1-CB 4.33Å; I409-L522 HydrophobicContact CD1-CD2 3.84Å |
| 410 | A | 76.4 | Confident | 69.6 | Low | 22 Ų | 22 | 80.2 Ų | 80.2 | 18% | 0.182 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -63.4 | -41.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | N406 D407 R412 | N406-A410 WeakPolarHBondContact O-CB 3.38Å; N406-A410 PolarHBondContact O-N 3.06Å; D407-A410 PolarHBondContact O-N 2.67Å; A410-R412 VanDerWaalsContact C-N 3.35Å; A410-R412 PolarHBondContact O-N 2.91Å |
| 411 | H | 67.5 | Low | 67.3 | Low | 148 Ų | 148 | 76.8 Ų | 76.8 | 69% | 0.685 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -63.9 | -36.1 | 179.2 | -83.7 | -65.2 | 0 | 0 | 0 | 113.1 | D407 Q408 I409 | D407-H411 WeakPolarHBondContact O-CB 3.5Å; D407-H411 PolarHBondContact O-CD2 3.02Å; D407-H411 PolarHBondContact O-N 3.27Å; Q408-H411 PolarHBondContact O-N 2.95Å; I409-H411 PolarHBondContact O-N 3.44Å |
| 412 | R | 64.9 | Low | 64.4 | Low | 136 Ų | 136 | 77.3 Ų | 77.3 | 51% | 0.513 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -81.5 | -39.4 | -177.1 | -71.8 | -172.6 | -178.9 | -151.7 | 9.2 | 113.7 | Q408 I409 A410 R414 D513 | Q408-R412 PolarHBondContact O-N 2.93Å; I409-R412 PolarHBondContact O-N 3.05Å; A410-R412 VanDerWaalsContact C-N 3.35Å; A410-R412 PolarHBondContact O-N 2.91Å; R412-R414 PolarHBondContact O-N 3.42Å; R412-R414 VanDerWaalsContact O-N 3.15Å; R412-D513 PolarHBondContact NH1-O 2.94Å; R412-D513 PolarHBondContact NH2-O 3.42Å |
| 413 | M | 54.9 | Low | 61.8 | Low | 72 Ų | 72 | 79.9 Ų | 79.9 | 36% | 0.355 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -4.5 | -177.5 | -72.4 | -65.6 | -154.8 | 0 | 0 | 113.9 | I409 L415 P515 M519 | I409-M413 PolarHBondContact O-N 3.28Å; M413-L415 HydrophobicContact CB-CB 4.19Å; M413-L415 HydrophobicContact CB-CD1 3.77Å; M413-L415 HydrophobicContact CB-CG 3.89Å; M413-L415 HydrophobicContact CG-CD1 4.42Å; M413-L415 WeakPolarHBondContact O-CG 3.33Å; M413-L415 PolarHBondContact O-N 2.83Å; M413-P515 HydrophobicContact CE-CB 4.36Å; M413-M519 HydrophobicContact CE-CE 3.92Å |
| 414 | R | 52.5 | Low | 59.4 | Low | 243 Ų | 243 | 82.6 Ų | 82.6 | 92% | 0.917 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | 18 | -170.8 | -61.6 | -178 | 175.9 | -177.7 | -0.6 | 113.3 | R412 | R412-R414 PolarHBondContact O-N 3.42Å; R412-R414 VanDerWaalsContact O-N 3.15Å |
| 415 | L | 45.7 | Very low | 56.8 | Low | 73 Ų | 73 | 88.2 Ų | 88.2 | 38% | 0.382 | 42% | 0.416 | S | S | . | . | trans | -88.7 | 125.6 | 177.2 | -68.1 | 171.4 | 0 | 0 | 0 | 107.3 | M413 F419 | M413-L415 HydrophobicContact CB-CB 4.19Å; M413-L415 HydrophobicContact CB-CD1 3.77Å; M413-L415 HydrophobicContact CB-CG 3.89Å; M413-L415 HydrophobicContact CG-CD1 4.42Å; M413-L415 WeakPolarHBondContact O-CG 3.33Å; M413-L415 PolarHBondContact O-N 2.83Å; L415-F419 HydrophobicContact CB-CB 4.15Å; L415-F419 HydrophobicContact CB-CD2 4.1Å; L415-F419 HydrophobicContact CB-CG 4.27Å; L415-F419 HydrophobicContact CD2-CD1 4.29Å; L415-F419 HydrophobicContact CD2-CD2 3.88Å; L415-F419 HydrophobicContact CD2-CE1 4.43Å; L415-F419 HydrophobicContact CD2-CE2 4.02Å; L415-F419 HydrophobicContact CD2-CG 4.02Å; L415-F419 HydrophobicContact CD2-CZ 4.29Å | ||
| 416 | S | 42.3 | Very low | 54.2 | Low | 64 Ų | 64 | 95.8 Ų | 95.8 | 45% | 0.448 | 45% | 0.449 | S | S | . | . | trans | -56.7 | 154.4 | 177.1 | 98.9 | 0 | 0 | 0 | 0 | 110.6 | S418 F419 | S416-S418 PolarHBondContact O-N 3.4Å; S416-S418 WeakPolarHBondContact OG-CB 3.49Å; S416-S418 PolarHBondContact OG-N 3.39Å; S416-S418 VanDerWaalsContact OG-N 3.11Å; S416-S418 PolarHBondContact OG-OG 3.49Å; S416-F419 PolarHBondContact O-N 2.99Å | ||
| 417 | R | 43.1 | Very low | 51.6 | Low | 188 Ų | 188 | 101.3 Ų | 101.3 | 71% | 0.709 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50 | -20.7 | 173.5 | -64.6 | -179.6 | 178.2 | -136.1 | -7.3 | 113.3 | ||
| 418 | S | 45.9 | Very low | 49.2 | Very low | 68 Ų | 68 | 102.7 Ų | 102.7 | 48% | 0.476 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -76 | -19.4 | 178.1 | 86.3 | 0 | 0 | 0 | 0 | 113.7 | S416 N421 A422 | S416-S418 PolarHBondContact O-N 3.4Å; S416-S418 WeakPolarHBondContact OG-CB 3.49Å; S416-S418 PolarHBondContact OG-N 3.39Å; S416-S418 VanDerWaalsContact OG-N 3.11Å; S416-S418 PolarHBondContact OG-OG 3.49Å; S418-N421 CarbonylContact O-C 3.49Å; S418-N421 PolarHBondContact O-N 3.48Å; S418-A422 WeakPolarHBondContact O-CA 3.49Å; S418-A422 WeakPolarHBondContact O-CB 3.45Å; S418-A422 PolarHBondContact O-N 3.36Å |
| 419 | F | 41.5 | Very low | 46.6 | Very low | 113 Ų | 113 | 107.7 Ų | 107.7 | 50% | 0.496 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67.2 | -39.7 | -177.4 | -91.6 | -83.7 | 0 | 0 | 0 | 112.8 | L415 S416 N421 A422 T423 | L415-F419 HydrophobicContact CB-CB 4.15Å; L415-F419 HydrophobicContact CB-CD2 4.1Å; L415-F419 HydrophobicContact CB-CG 4.27Å; L415-F419 HydrophobicContact CD2-CD1 4.29Å; L415-F419 HydrophobicContact CD2-CD2 3.88Å; L415-F419 HydrophobicContact CD2-CE1 4.43Å; L415-F419 HydrophobicContact CD2-CE2 4.02Å; L415-F419 HydrophobicContact CD2-CG 4.02Å; L415-F419 HydrophobicContact CD2-CZ 4.29Å; S416-F419 PolarHBondContact O-N 2.99Å; F419-N421 VanDerWaalsContact C-N 3.31Å; F419-N421 PolarHBondContact O-N 3.22Å; F419-A422 CarbonylContact O-C 3.59Å; F419-A422 PolarHBondContact O-N 3.44Å; F419-T423 PolarHBondContact O-N 3.48Å; F419-T423 PolarHBondContact O-OG1 3.04Å |
| 420 | F | 47.4 | Very low | 44 | Very low | 87 Ų | 87 | 112 Ų | 112 | 38% | 0.382 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -67.3 | -31.1 | 174.7 | -87.8 | -82.5 | 0 | 0 | 0 | 112.9 | I409 T423 | I409-F420 HydrophobicContact CG2-CE2 4.06Å; I409-F420 HydrophobicContact CG2-CZ 4Å; F420-T423 PolarHBondContact O-OG1 3.31Å |
| 421 | N | 43.1 | Very low | 41.8 | Very low | 78 Ų | 78 | 116.2 Ų | 116.2 | 42% | 0.417 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -79.4 | -23.5 | 169.4 | -79.3 | -25.9 | 0 | 0 | 0 | 112.4 | N59 S418 F419 K424 | N59-N421 PolarHBondContact ND2-OD1 2.88Å; S418-N421 CarbonylContact O-C 3.49Å; S418-N421 PolarHBondContact O-N 3.48Å; F419-N421 VanDerWaalsContact C-N 3.31Å; F419-N421 PolarHBondContact O-N 3.22Å; N421-K424 VanDerWaalsContact O-CB 3.29Å; N421-K424 WeakPolarHBondContact O-CB 3.24Å; N421-K424 PolarHBondContact O-N 3.4Å |
| 422 | A | 31.7 | Very low | 39.8 | Very low | 28 Ų | 28 | 112.9 Ų | 112.9 | 23% | 0.231 | 57% | 0.57 | C | S | . | * | H | α-helix | trans | -83.3 | -30.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | S418 F419 K424 K425 F426 | S418-A422 WeakPolarHBondContact O-CA 3.49Å; S418-A422 WeakPolarHBondContact O-CB 3.45Å; S418-A422 PolarHBondContact O-N 3.36Å; F419-A422 CarbonylContact O-C 3.59Å; F419-A422 PolarHBondContact O-N 3.44Å; A422-K424 PolarHBondContact O-N 2.95Å; A422-K425 CarbonylContact O-C 3.58Å; A422-K425 PolarHBondContact O-N 2.89Å; A422-F426 PolarHBondContact O-N 2.86Å |
| 423 | T | 36.3 | Very low | 37.8 | Very low | 57 Ų | 57 | 110.5 Ų | 110.5 | 35% | 0.35 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -58.2 | -29.5 | 166.4 | 12.2 | 0 | 0 | 0 | 0 | 110.8 | F419 F420 F427 | F419-T423 PolarHBondContact O-N 3.48Å; F419-T423 PolarHBondContact O-OG1 3.04Å; F420-T423 PolarHBondContact O-OG1 3.31Å; T423-F427 HydrophobicContact CG2-CD2 4.17Å; T423-F427 HydrophobicContact CG2-CE2 4.17Å |
| 424 | K | 38.6 | Very low | 36.3 | Very low | 131 Ų | 131 | 111.3 Ų | 111.3 | 57% | 0.57 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -70.8 | -27.2 | 171.3 | -140.6 | 178.7 | -175 | 178.5 | 0 | 113.8 | N421 A422 T428 | N421-K424 VanDerWaalsContact O-CB 3.29Å; N421-K424 WeakPolarHBondContact O-CB 3.24Å; N421-K424 PolarHBondContact O-N 3.4Å; A422-K424 PolarHBondContact O-N 2.95Å; K424-T428 WeakPolarHBondContact O-CG2 3.33Å; K424-T428 PolarHBondContact O-OG1 3.04Å |
| 425 | K | 35 | Very low | 35 | Very low | 171 Ų | 171 | 103.6 Ų | 103.6 | 74% | 0.743 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -96.9 | -29.6 | -179.7 | -73.6 | -170.1 | 176.9 | -176.4 | 0 | 114.4 | A422 | A422-K425 CarbonylContact O-C 3.58Å; A422-K425 PolarHBondContact O-N 2.89Å |
| 426 | F | 32.9 | Very low | 33.9 | Very low | 165 Ų | 165 | 104.1 Ų | 104.1 | 72% | 0.724 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -80.6 | -21.1 | 179.7 | -110.2 | -84.9 | 0 | 0 | 0 | 113.4 | A422 | A422-F426 PolarHBondContact O-N 2.86Å |
| 427 | F | 33.3 | Very low | 33 | Very low | 146 Ų | 146 | 105.7 Ų | 105.7 | 64% | 0.64 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -110.6 | -3.7 | -175.2 | -73.1 | -76.6 | 0 | 0 | 0 | 115.9 | T423 Q429 | T423-F427 HydrophobicContact CG2-CD2 4.17Å; T423-F427 HydrophobicContact CG2-CE2 4.17Å; F427-Q429 VanDerWaalsContact C-N 3.29Å |
| 428 | T | 33.2 | Very low | 32.1 | Very low | 93 Ų | 93 | 103.5 Ų | 103.5 | 57% | 0.571 | 65% | 0.647 | S | S | * | * | G | 310 helix | trans | -76.3 | -15.3 | 169.6 | 46.2 | 0 | 0 | 0 | 0 | 113.1 | K424 A430 V431 | K424-T428 WeakPolarHBondContact O-CG2 3.33Å; K424-T428 PolarHBondContact O-OG1 3.04Å; T428-A430 PolarHBondContact O-N 3.11Å; T428-A430 VanDerWaalsContact O-N 3.14Å; T428-V431 PolarHBondContact O-N 3.36Å |
| 429 | Q | 29.8 | Very low | 31 | Very low | 179 Ų | 179 | 106.6 Ų | 106.6 | 84% | 0.836 | 66% | 0.658 | S | S | * | * | G | 310 helix | trans | -69.7 | -6.4 | 177.4 | -84.7 | -174.1 | -12.3 | 0 | 0 | 114.8 | F427 | F427-Q429 VanDerWaalsContact C-N 3.29Š|
| 430 | A | 28.5 | Very low | 30.1 | Very low | 89 Ų | 89 | 106.6 Ų | 106.6 | 74% | 0.736 | 67% | 0.668 | S | S | * | * | G | 310 helix | trans | -86.1 | -6.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | T428 | T428-A430 PolarHBondContact O-N 3.11Å; T428-A430 VanDerWaalsContact O-N 3.14Å |
| 431 | V | 29 | Very low | 28.8 | Very low | 112 Ų | 112 | 108.2 Ų | 108.2 | 68% | 0.679 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -141.5 | 109.1 | -179.7 | -170.3 | 0 | 0 | 0 | 0 | 111.1 | T428 | T428-V431 PolarHBondContact O-N 3.36Š|
| 432 | G | 26.2 | Very low | 27.8 | Very low | 78 Ų | 78 | 110 Ų | 110 | 80% | 0.804 | 70% | 0.698 | S | S | * | * | trans | 97.6 | 108.5 | 158.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 433 | G | 22.7 | Very low | 27.5 | Very low | 86 Ų | 86 | 116.1 Ų | 116.1 | 89% | 0.887 | 73% | 0.727 | S | S | * | * | trans | -83 | 165.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 434 | G | 23.3 | Very low | 26.8 | Very low | 89 Ų | 89 | 118.5 Ų | 118.5 | 92% | 0.918 | 75% | 0.746 | S | S | * | * | trans | 95.9 | 105.6 | 151.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 435 | G | 24.6 | Very low | 26.1 | Very low | 80 Ų | 80 | 119.2 Ų | 119.2 | 83% | 0.825 | 76% | 0.762 | S | S | * | * | trans | 154.7 | 99.2 | 154.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 436 | G | 24 | Very low | 25.5 | Very low | 84 Ų | 84 | 118.2 Ų | 118.2 | 87% | 0.866 | 76% | 0.764 | S | S | * | * | 89.3 | 101.1 | 128.7 | 0 | 0 | 0 | 0 | 0 | 120 | |||||
| 437 | S | 22.3 | Very low | 25.1 | Very low | 97 Ų | 97 | 118 Ų | 118 | 68% | 0.678 | 77% | 0.771 | S | S | * | * | trans | -44.7 | 150.2 | 158 | 168.7 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 438 | N | 25.7 | Very low | 24.5 | Very low | 142 Ų | 142 | 118.6 Ų | 118.6 | 76% | 0.759 | 78% | 0.78 | S | S | * | * | 164.6 | 110.3 | 129.1 | -81 | -10.6 | 0 | 0 | 0 | 109.5 | |||||
| 439 | N | 22.5 | Very low | 24.1 | Very low | 133 Ų | 133 | 120.8 Ų | 120.8 | 71% | 0.711 | 79% | 0.793 | S | S | * | * | 94.7 | 131.9 | 77.9 | -97.8 | -3.3 | 0 | 0 | 0 | 114.9 | |||||
| 440 | T | 23.1 | Very low | 23.7 | Very low | 114 Ų | 114 | 117.2 Ų | 117.2 | 70% | 0.699 | 78% | 0.784 | S | S | * | * | trans | 65.9 | 107.2 | 149.2 | 39.2 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 441 | T | 20.2 | Very low | 23.3 | Very low | 120 Ų | 120 | 120.3 Ų | 120.3 | 74% | 0.736 | 79% | 0.787 | S | S | * | * | 75.8 | 135.6 | 70.6 | 64.9 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 442 | V | 21.9 | Very low | 23 | Very low | 116 Ų | 116 | 123.9 Ų | 123.9 | 70% | 0.703 | 79% | 0.794 | S | S | * | * | trans | 90 | 103.9 | 151.7 | -170.8 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 443 | N | 24.3 | Very low | 22.7 | Very low | 156 Ų | 156 | 127.8 Ų | 127.8 | 83% | 0.834 | 79% | 0.794 | S | S | * | * | 172.3 | 128.9 | 102.5 | -105.3 | -26.9 | 0 | 0 | 0 | 112.8 | |||||
| 444 | S | 21.4 | Very low | 22.8 | Very low | 107 Ų | 107 | 133.9 Ų | 133.9 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | trans | -73.8 | 145.7 | 164.1 | -50.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 445 | T | 24.3 | Very low | 22.8 | Very low | 147 Ų | 147 | 134.4 Ų | 134.4 | 90% | 0.902 | 78% | 0.782 | S | S | * | * | trans | -169.9 | 134.7 | 134.4 | 25.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 446 | N | 22.2 | Very low | 22.9 | Very low | 149 Ų | 149 | 138 Ų | 138 | 80% | 0.797 | 78% | 0.782 | S | S | * | * | trans | -58.2 | 149.2 | 178.2 | -60.5 | -40.6 | 0 | 0 | 0 | 113.6 | ||||
| 447 | N | 25.4 | Very low | 23 | Very low | 162 Ų | 162 | 139 Ų | 139 | 87% | 0.866 | 77% | 0.774 | S | S | * | * | trans | -158.1 | 96.3 | 137.2 | -92.1 | -29.9 | 0 | 0 | 0 | 108.7 | ||||
| 448 | L | 20.1 | Very low | 23.1 | Very low | 158 Ų | 158 | 139.4 Ų | 139.4 | 83% | 0.827 | 78% | 0.776 | S | S | * | * | trans | -104.2 | 103 | 170 | -161.1 | 85.2 | 0 | 0 | 0 | 106.4 | ||||
| 449 | T | 24.5 | Very low | 23.5 | Very low | 138 Ų | 138 | 138.3 Ų | 138.3 | 85% | 0.847 | 78% | 0.777 | S | S | * | * | trans | -92.6 | 110.9 | 168.8 | 39.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 450 | T | 21.9 | Very low | 23.6 | Very low | 104 Ų | 104 | 139.2 Ų | 139.2 | 64% | 0.638 | 78% | 0.78 | S | S | * | * | trans | -75.4 | 165.2 | 173.7 | 43.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 451 | L | 19.2 | Very low | 23.7 | Very low | 155 Ų | 155 | 141.6 Ų | 141.6 | 81% | 0.812 | 78% | 0.783 | S | S | * | * | trans | 93.9 | 128.6 | 164.8 | -55.1 | 150.2 | 0 | 0 | 0 | 113.3 | ||||
| 452 | K | 24 | Very low | 23.7 | Very low | 187 Ų | 187 | 142.1 Ų | 142.1 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | cis | -150.7 | 143.8 | 41.9 | -75.3 | 176 | 176.3 | 174.2 | 0 | 113 | ||||
| 453 | I | 19.9 | Very low | 23.8 | Very low | 159 Ų | 159 | 142.1 Ų | 142.1 | 82% | 0.815 | 79% | 0.792 | S | S | * | * | trans | -80.4 | 132.9 | 166.5 | -66.9 | 160.6 | 0 | 0 | 0 | 108.9 | ||||
| 454 | Y | 23.7 | Very low | 23.7 | Very low | 215 Ų | 215 | 138.6 Ų | 138.6 | 84% | 0.843 | 78% | 0.784 | S | S | * | * | trans | -153.7 | 104.5 | 149.7 | -91.8 | -76.3 | 0 | 0 | 0 | 105 | ||||
| 455 | S | 23.1 | Very low | 23.8 | Very low | 100 Ų | 100 | 140.2 Ų | 140.2 | 70% | 0.699 | 79% | 0.785 | S | S | * | * | 102.4 | 99.6 | 92 | 61.8 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 456 | N | 27.4 | Very low | 23.8 | Very low | 155 Ų | 155 | 140 Ų | 140 | 83% | 0.829 | 78% | 0.778 | S | S | * | * | trans | -87.4 | 140.2 | 152.2 | -141.4 | -4 | 0 | 0 | 0 | 105.3 | ||||
| 457 | P | 26.4 | Very low | 24 | Very low | 106 Ų | 106 | 140.8 Ų | 140.8 | 69% | 0.688 | 78% | 0.78 | S | S | * | * | -164.7 | 138 | 86.6 | 39.4 | -16.2 | 0 | 0 | 0 | 118.4 | |||||
| 458 | S | 23.5 | Very low | 23.8 | Very low | 105 Ų | 105 | 137.3 Ų | 137.3 | 73% | 0.734 | 77% | 0.769 | S | S | * | * | 70.4 | 171.1 | 123 | 89.5 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 459 | P | 34.8 | Very low | 24.1 | Very low | 118 Ų | 118 | 137.1 Ų | 137.1 | 77% | 0.766 | 77% | 0.768 | S | S | * | * | -125.4 | 158.9 | -115.9 | 30 | -7.1 | 0 | 0 | 0 | 115.4 | |||||
| 460 | I | 25.1 | Very low | 24.4 | Very low | 153 Ų | 153 | 135.2 Ų | 135.2 | 79% | 0.785 | 76% | 0.758 | S | S | * | * | trans | -125 | 118.6 | 175.7 | -68.8 | 174.8 | 0 | 0 | 0 | 110.3 | ||||
| 461 | E | 23.8 | Very low | 24.4 | Very low | 164 Ų | 164 | 135.5 Ų | 135.5 | 77% | 0.766 | 76% | 0.764 | S | S | * | * | trans | 49.5 | 107.7 | 142 | -60.2 | 173 | 169.6 | 0 | 0 | 118.9 | ||||
| 462 | T | 21.7 | Very low | 24.7 | Very low | 130 Ų | 130 | 133.3 Ų | 133.3 | 80% | 0.798 | 76% | 0.761 | S | S | * | * | 46.5 | 96 | 87.3 | 60.6 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 463 | S | 22.1 | Very low | 24.9 | Very low | 117 Ų | 117 | 130.2 Ų | 130.2 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | 173.8 | 130.5 | 129.2 | 48.6 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 464 | A | 23 | Very low | 25.1 | Very low | 82 Ų | 82 | 128.9 Ų | 128.9 | 68% | 0.678 | 76% | 0.76 | S | S | * | * | trans | 81 | 127.6 | 138.9 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 465 | N | 24.4 | Very low | 25 | Very low | 141 Ų | 141 | 126.3 Ų | 126.3 | 75% | 0.754 | 76% | 0.76 | S | S | * | * | trans | 81.8 | 100.8 | 147.2 | -62.2 | -19.3 | 0 | 0 | 0 | 117.3 | ||||
| 466 | N | 23 | Very low | 25.1 | Very low | 142 Ų | 142 | 127.5 Ų | 127.5 | 76% | 0.759 | 77% | 0.766 | S | S | * | * | 75.4 | 85.8 | 84.9 | -77.7 | -24 | 0 | 0 | 0 | 112.7 | |||||
| 467 | I | 26.7 | Very low | 24.9 | Very low | 165 Ų | 165 | 126.5 Ų | 126.5 | 85% | 0.846 | 77% | 0.765 | S | S | * | * | trans | -173.3 | 88.2 | 138.1 | -82.5 | 145.1 | 0 | 0 | 0 | 101.8 | ||||
| 468 | S | 22.4 | Very low | 24.7 | Very low | 90 Ų | 90 | 128.5 Ų | 128.5 | 63% | 0.629 | 77% | 0.768 | S | S | * | * | 54.2 | 93.9 | 68.3 | 82.3 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 469 | N | 26 | Very low | 24.8 | Very low | 153 Ų | 153 | 129.5 Ų | 129.5 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | trans | 78.8 | 158.9 | 133.4 | -78.5 | 0.5 | 0 | 0 | 0 | 119.2 | ||||
| 470 | P | 30.9 | Very low | 24.3 | Very low | 98 Ų | 98 | 130.5 Ų | 130.5 | 64% | 0.636 | 77% | 0.769 | S | S | * | * | cis | -151.6 | -179.2 | -43 | 41.9 | -24.4 | 0 | 0 | 0 | 114.5 | ||||
| 471 | C | 21.1 | Very low | 24.2 | Very low | 111 Ų | 111 | 130.7 Ų | 130.7 | 75% | 0.75 | 77% | 0.772 | S | S | * | * | trans | 73.1 | 97.9 | 140 | -77.6 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 472 | S | 25.9 | Very low | 24.2 | Very low | 109 Ų | 109 | 127.4 Ų | 127.4 | 76% | 0.762 | 77% | 0.766 | S | S | * | * | trans | -47 | 140.2 | 133.6 | 40.4 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 473 | P | 28.2 | Very low | 24.2 | Very low | 122 Ų | 122 | 131.2 Ų | 131.2 | 79% | 0.792 | 77% | 0.772 | S | S | * | * | trans | -112.6 | 118.4 | 150.2 | 30.7 | -17.5 | 0 | 0 | 0 | 109.7 | ||||
| 474 | T | 23.5 | Very low | 24.3 | Very low | 130 Ų | 130 | 129.2 Ų | 129.2 | 80% | 0.798 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 140.7 | 164 | 42.5 | 0 | 0 | 0 | 0 | 110.9 | ||
| 475 | N | 21.8 | Very low | 24.3 | Very low | 161 Ų | 161 | 134.7 Ų | 134.7 | 86% | 0.861 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -48.9 | 130.7 | 177.2 | -73.2 | -37.7 | 0 | 0 | 0 | 114.1 | ||
| 476 | P | 25.4 | Very low | 24.1 | Very low | 126 Ų | 126 | 136.7 Ų | 136.7 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -95.1 | 146.7 | 165.5 | 34.2 | -26.8 | 0 | 0 | 0 | 112 | ||
| 477 | V | 22.9 | Very low | 24.2 | Very low | 134 Ų | 134 | 135 Ų | 135 | 81% | 0.812 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 147.2 | -174.4 | 169.8 | 0 | 0 | 0 | 0 | 112.2 | V479 | V477-V479 PolarHBondContact O-N 2.95Š|
| 478 | I | 23.2 | Very low | 24 | Very low | 147 Ų | 147 | 132.9 Ų | 132.9 | 75% | 0.754 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 125.1 | 170.9 | -63.4 | 163.3 | 0 | 0 | 0 | 111.2 | ||
| 479 | V | 25.5 | Very low | 24.2 | Very low | 127 Ų | 127 | 136.3 Ų | 136.3 | 77% | 0.77 | 80% | 0.796 | S | S | * | * | trans | -124 | 111.2 | 159.8 | 177.1 | 0 | 0 | 0 | 0 | 108.1 | V477 N481 | V477-V479 PolarHBondContact O-N 2.95Å; V479-N481 PolarHBondContact O-N 3.37Å | ||
| 480 | N | 22.8 | Very low | 24.1 | Very low | 139 Ų | 139 | 135.2 Ų | 135.2 | 74% | 0.743 | 80% | 0.795 | S | S | * | * | trans | -58.8 | 127.6 | 163.8 | -73.5 | -31 | 0 | 0 | 0 | 108.9 | ||||
| 481 | N | 24.6 | Very low | 23.8 | Very low | 157 Ų | 157 | 137.1 Ų | 137.1 | 84% | 0.84 | 81% | 0.805 | S | S | * | * | trans | -151.8 | 142.7 | 148.7 | -112 | -14.2 | 0 | 0 | 0 | 113.3 | V479 | V479-N481 PolarHBondContact O-N 3.37Š| ||
| 482 | S | 23.6 | Very low | 23.8 | Very low | 94 Ų | 94 | 139.6 Ų | 139.6 | 66% | 0.657 | 81% | 0.811 | S | S | * | * | trans | -82.9 | 150.3 | -165.7 | 49.7 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 483 | K | 21.5 | Very low | 23.6 | Very low | 211 Ų | 211 | 140.4 Ų | 140.4 | 92% | 0.917 | 81% | 0.811 | S | S | * | * | trans | 60.8 | 126.3 | 139.5 | -71.2 | 179.3 | 175.5 | -179 | 0 | 119.5 | ||||
| 484 | G | 23.9 | Very low | 23.4 | Very low | 75 Ų | 75 | 140.9 Ų | 140.9 | 77% | 0.773 | 81% | 0.814 | S | S | * | * | trans | 115.6 | 133.3 | 166 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 485 | E | 24 | Very low | 23.3 | Very low | 196 Ų | 196 | 143.1 Ų | 143.1 | 92% | 0.916 | 82% | 0.815 | S | S | * | * | cis | -155.1 | 155 | 7.8 | -86.1 | 174.1 | 145.8 | 0 | 0 | 107 | ||||
| 486 | L | 20 | Very low | 23.3 | Very low | 184 Ų | 184 | 140.7 Ų | 140.7 | 96% | 0.963 | 81% | 0.811 | S | S | * | * | trans | -89.1 | 111.5 | -175.5 | -168.4 | 78.4 | 0 | 0 | 0 | 109.1 | ||||
| 487 | S | 24.4 | Very low | 23.1 | Very low | 105 Ų | 105 | 141.6 Ų | 141.6 | 73% | 0.734 | 81% | 0.808 | S | S | * | * | trans | -134.9 | 106.5 | 167.4 | 52.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 488 | T | 22.4 | Very low | 23 | Very low | 122 Ų | 122 | 140.1 Ų | 140.1 | 75% | 0.748 | 80% | 0.803 | S | S | * | * | trans | 12.5 | 113.5 | 147.3 | 57 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 489 | N | 26.1 | Very low | 23 | Very low | 161 Ų | 161 | 143.2 Ų | 143.2 | 86% | 0.861 | 81% | 0.807 | S | S | * | * | trans | -171 | 98 | 134 | -89 | -21.1 | 0 | 0 | 0 | 109.3 | ||||
| 490 | T | 24.1 | Very low | 22.8 | Very low | 130 Ų | 130 | 142.4 Ų | 142.4 | 80% | 0.798 | 81% | 0.813 | S | S | * | * | trans | -103.9 | 99.1 | 179.6 | -35.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 491 | T | 24.6 | Very low | 22.8 | Very low | 138 Ų | 138 | 139 Ų | 139 | 85% | 0.847 | 81% | 0.811 | S | S | * | * | trans | -114.1 | 117.9 | 162.8 | 23 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 492 | L | 21.1 | Very low | 22.9 | Very low | 164 Ų | 164 | 137.3 Ų | 137.3 | 86% | 0.859 | 81% | 0.809 | S | S | * | * | trans | -80 | 118.8 | -172.6 | -69.5 | 154.2 | 0 | 0 | 0 | 110.5 | ||||
| 493 | T | 22.6 | Very low | 23 | Very low | 126 Ų | 126 | 138.8 Ų | 138.8 | 77% | 0.773 | 81% | 0.814 | S | S | * | * | trans | -124.8 | 145.8 | 153 | 50 | 0 | 0 | 0 | 0 | 108.5 | Q495 | T493-Q495 PolarHBondContact O-N 2.91Š| ||
| 494 | P | 23.2 | Very low | 23.2 | Very low | 132 Ų | 132 | 136.4 Ų | 136.4 | 86% | 0.857 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -76 | 122 | -148.4 | 28 | -32.9 | 0 | 0 | 0 | 112.2 | S496 | P494-S496 PolarHBondContact O-N 3.48Š|
| 495 | Q | 22 | Very low | 23.9 | Very low | 176 Ų | 176 | 139.7 Ų | 139.7 | 82% | 0.822 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 123.4 | 174.4 | -68.6 | 179.4 | -23.9 | 0 | 0 | 110.2 | T493 I497 | T493-Q495 PolarHBondContact O-N 2.91Å; Q495-I497 PolarHBondContact O-N 3.43Å; Q495-I497 VanDerWaalsContact O-N 3.15Å |
| 496 | S | 21.4 | Very low | 24.8 | Very low | 110 Ų | 110 | 134.9 Ų | 134.9 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -49.7 | 116.8 | 151.3 | 51.7 | 0 | 0 | 0 | 0 | 108.1 | P494 S498 | P494-S496 PolarHBondContact O-N 3.48Å; S496-S498 PolarHBondContact O-N 2.98Å |
| 497 | I | 21.8 | Very low | 26.7 | Very low | 146 Ų | 146 | 130.6 Ų | 130.6 | 75% | 0.749 | 78% | 0.776 | S | S | * | * | trans | -59.1 | 103.1 | -177.9 | -66.2 | 161 | 0 | 0 | 0 | 108.4 | Q495 Y499 | Q495-I497 PolarHBondContact O-N 3.43Å; Q495-I497 VanDerWaalsContact O-N 3.15Å; I497-Y499 HydrophobicContact CG2-CE2 4.35Å; I497-Y499 PolarHBondContact O-N 3.15Å | ||
| 498 | S | 20 | Very low | 28.7 | Very low | 103 Ų | 103 | 128.2 Ų | 128.2 | 72% | 0.72 | 75% | 0.754 | S | S | * | * | trans | -74.3 | 107.5 | 169.5 | 52.9 | 0 | 0 | 0 | 0 | 108.3 | S496 A500 | S496-S498 PolarHBondContact O-N 2.98Å; S498-A500 PolarHBondContact O-N 2.84Å | ||
| 499 | Y | 23.6 | Very low | 31 | Very low | 212 Ų | 212 | 127.5 Ų | 127.5 | 83% | 0.831 | 75% | 0.749 | S | S | * | * | trans | -64.8 | 116.5 | 162 | -78.9 | -86.1 | 0 | 0 | 0 | 108.3 | I497 G501 | I497-Y499 HydrophobicContact CG2-CE2 4.35Å; I497-Y499 PolarHBondContact O-N 3.15Å; Y499-G501 PolarHBondContact O-N 2.8Å | ||
| 500 | A | 21.3 | Very low | 33.6 | Very low | 109 Ų | 109 | 121.4 Ų | 121.4 | 90% | 0.901 | 71% | 0.714 | S | S | * | * | trans | -76.1 | 112.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | S498 | S498-A500 PolarHBondContact O-N 2.84Š| ||
| 501 | G | 21.9 | Very low | 36.3 | Very low | 68 Ų | 68 | 118.9 Ų | 118.9 | 70% | 0.701 | 70% | 0.702 | S | S | * | * | trans | 120.7 | 152.9 | 162.2 | 0 | 0 | 0 | 0 | 0 | 115 | Y499 | Y499-G501 PolarHBondContact O-N 2.8Š| ||
| 502 | P | 26.6 | Very low | 38.7 | Very low | 121 Ų | 121 | 117.4 Ų | 117.4 | 79% | 0.786 | 69% | 0.686 | S | S | * | * | S | Bend | cis | -118.7 | 150.7 | -25.6 | 35.5 | -20 | 0 | 0 | 0 | 113.1 | ||
| 503 | V | 25.7 | Very low | 41.4 | Very low | 126 Ų | 126 | 113.9 Ų | 113.9 | 76% | 0.764 | 67% | 0.668 | S | S | * | * | trans | 54 | 102.4 | 164.6 | -167.2 | 0 | 0 | 0 | 0 | 117.3 | H505 | V503-H505 PolarHBondContact O-N 2.95Š| ||
| 504 | N | 27.5 | Very low | 44.5 | Very low | 161 Ų | 161 | 108.5 Ų | 108.5 | 86% | 0.861 | 64% | 0.635 | S | S | * | * | trans | -50.5 | 98.9 | 165.8 | -76.5 | -16.9 | 0 | 0 | 0 | 111.6 | S506 | N504-S506 PolarHBondContact O-N 3.26Š| ||
| 505 | H | 37.5 | Very low | 47.5 | Very low | 143 Ų | 143 | 103.3 Ų | 103.3 | 66% | 0.662 | 60% | 0.602 | S | S | * | * | trans | -68.7 | 106 | 150.1 | -76.7 | -68.1 | 0 | 0 | 0 | 106.1 | V503 T507 | V503-H505 PolarHBondContact O-N 2.95Å; H505-T507 PolarHBondContact O-N 2.94Å | ||
| 506 | S | 43.5 | Very low | 50.6 | Low | 95 Ų | 95 | 96.8 Ų | 96.8 | 66% | 0.664 | 57% | 0.571 | S | S | * | * | trans | -54.1 | 107 | 169 | 51.3 | 0 | 0 | 0 | 0 | 108.3 | N504 I508 | N504-S506 PolarHBondContact O-N 3.26Å; S506-I508 PolarHBondContact O-N 3.4Å | ||
| 507 | T | 58.6 | Low | 53.7 | Low | 95 Ų | 95 | 92 Ų | 92 | 58% | 0.583 | 54% | 0.538 | S | S | * | . | trans | -64.6 | 102.9 | 174.3 | -42.4 | 0 | 0 | 0 | 0 | 107.3 | H505 V509 | H505-T507 PolarHBondContact O-N 2.94Å; T507-V509 PolarHBondContact O-N 3.3Å; T507-V509 VanDerWaalsContact O-N 3.16Å | ||
| 508 | I | 67.5 | Low | 57 | Low | 54 Ų | 54 | 85.2 Ų | 85.2 | 28% | 0.277 | 50% | 0.503 | S | S | . | . | trans | -69.8 | 112.8 | 177 | -69.7 | 163.9 | 0 | 0 | 0 | 107.4 | S506 Y510 D549 A551 | S506-I508 PolarHBondContact O-N 3.4Å; I508-Y510 HydrophobicContact CG2-CD2 4.43Å; I508-Y510 HydrophobicContact CG2-CE1 4.18Å; I508-Y510 HydrophobicContact CG2-CE2 3.94Å; I508-D549 HydrophobicContact CD1-CB 4.37Å; I508-D549 WeakPolarHBondContact CD1-O 3.41Å; I508-A551 HydrophobicContact CB-CB 4.2Å; I508-A551 HydrophobicContact CD1-CB 4.35Å; I508-A551 HydrophobicContact CG2-CB 4.38Å | ||
| 509 | V | 69.8 | Low | 60.4 | Low | 108 Ų | 108 | 80.6 Ų | 80.6 | 66% | 0.655 | 47% | 0.47 | S | S | * | . | trans | -97.5 | 114.6 | 175.7 | -178.8 | 0 | 0 | 0 | 0 | 107.7 | T507 | T507-V509 PolarHBondContact O-N 3.3Å; T507-V509 VanDerWaalsContact O-N 3.16Å | ||
| 510 | Y | 81.4 | Confident | 63.6 | Low | 32 Ų | 32 | 70.7 Ų | 70.7 | 13% | 0.125 | 43% | 0.431 | C | S | . | . | trans | -78.1 | 129.4 | 173.6 | -68.5 | -78.5 | 0 | 0 | 0 | 109.7 | I508 S514 E516 F546 D549 A551 H554 | I508-Y510 HydrophobicContact CG2-CD2 4.43Å; I508-Y510 HydrophobicContact CG2-CE1 4.18Å; I508-Y510 HydrophobicContact CG2-CE2 3.94Å; Y510-S514 WeakPolarHBondContact CB-OG 3.23Å; Y510-E516 HydrophobicContact CD1-CB 3.92Å; Y510-E516 HydrophobicContact CD1-CG 4.29Å; Y510-E516 HydrophobicContact CE1-CB 3.91Å; Y510-E516 HydrophobicContact CE1-CG 3.9Å; Y510-F546 HydrophobicContact CD2-CE1 4.19Å; Y510-F546 HydrophobicContact CE1-CD1 4.48Å; Y510-F546 HydrophobicContact CE1-CE1 4.26Å; Y510-F546 AromaticContact CE2-CD1 3.79Å; Y510-F546 HydrophobicContact CE2-CD1 3.79Å; Y510-F546 AromaticContact CE2-CE1 3.59Å; Y510-F546 HydrophobicContact CE2-CE1 3.59Å; Y510-F546 AromaticContact CZ-CD1 3.63Å; Y510-F546 AromaticContact CZ-CE1 3.65Å; Y510-F546 WeakPolarHBondContact OH-CD1 3.49Å; Y510-D549 WeakPolarHBondContact OH-CB 3.07Å; Y510-D549 PolarHBondContact OH-OD2 2.66Å; Y510-A551 HydrophobicContact CE2-CB 3.81Å; Y510-A551 VanDerWaalsContact OH-CB 3.26Å; Y510-A551 WeakPolarHBondContact OH-CB 3.46Å; Y510-H554 AromaticContact CD2-CD2 3.66Å; Y510-H554 AromaticContact CD2-CE1 3.7Å; Y510-H554 AromaticContact CD2-CG 3.97Å; Y510-H554 AromaticContact CD2-ND1 3.97Å; Y510-H554 AromaticContact CD2-NE2 3.5Å; Y510-H554 HydrophobicContact CE2-CB 4.27Å; Y510-H554 AromaticContact CE2-CD2 3.88Å; Y510-H554 AromaticContact CE2-CE1 3.97Å; Y510-H554 AromaticContact CE2-CG 3.73Å; Y510-H554 AromaticContact CE2-ND1 3.77Å | ||
| 511 | S | 80.6 | Confident | 67 | Low | 77 Ų | 77 | 66.5 Ų | 66.5 | 54% | 0.538 | 39% | 0.392 | S | S | . | . | trans | -59.5 | 146.1 | 166.4 | 173.8 | 0 | 0 | 0 | 0 | 109.7 | D513 S514 S517 | S511-D513 PolarHBondContact O-N 2.91Å; S511-D513 PolarHBondContact OG-N 2.88Å; S511-S514 VanDerWaalsContact O-CB 3.26Å; S511-S514 WeakPolarHBondContact O-CB 3.46Å; S511-S514 PolarHBondContact O-N 3.34Å; S511-S514 PolarHBondContact O-OG 3.22Å; S511-S517 WeakPolarHBondContact O-CB 3.29Å | ||
| 512 | Q | 75.3 | Confident | 70.4 | Confident | 108 Ų | 108 | 63.4 Ų | 63.4 | 51% | 0.505 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -23.3 | 176.9 | -66.4 | -166.9 | -10 | 0 | 0 | 112.9 | ||
| 513 | D | 77.9 | Confident | 73.6 | Confident | 89 Ų | 89 | 57.6 Ų | 57.6 | 48% | 0.476 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | -2.8 | 177.9 | -69.3 | -36.3 | 0 | 0 | 0 | 114 | R412 S511 Q518 | R412-D513 PolarHBondContact NH1-O 2.94Å; R412-D513 PolarHBondContact NH2-O 3.42Å; S511-D513 PolarHBondContact O-N 2.91Å; S511-D513 PolarHBondContact OG-N 2.88Å; D513-Q518 PolarHBondContact O-NE2 2.97Å |
| 514 | S | 86.9 | Confident | 76.9 | Confident | 14 Ų | 14 | 51.6 Ų | 51.6 | 10% | 0.098 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -63.4 | 142.8 | 175.4 | 64.6 | 0 | 0 | 0 | 0 | 110.5 | Y510 S511 E516 S517 Q518 | Y510-S514 WeakPolarHBondContact CB-OG 3.23Å; S511-S514 VanDerWaalsContact O-CB 3.26Å; S511-S514 WeakPolarHBondContact O-CB 3.46Å; S511-S514 PolarHBondContact O-N 3.34Å; S511-S514 PolarHBondContact O-OG 3.22Å; S514-E516 WeakPolarHBondContact CB-OE2 3.32Å; S514-E516 PolarHBondContact O-N 2.69Å; S514-S517 PolarHBondContact O-N 3.31Å; S514-S517 WeakPolarHBondContact OG-CB 3.31Å; S514-S517 PolarHBondContact OG-N 3.18Å; S514-Q518 WeakPolarHBondContact O-CG 3.46Å; S514-Q518 PolarHBondContact O-N 3.46Å |
| 515 | P | 86 | Confident | 80.1 | Confident | 23 Ų | 23 | 44 Ų | 44 | 15% | 0.149 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.6 | -30.9 | 179.2 | 23.8 | -31.2 | 0 | 0 | 0 | 111.8 | M413 M519 | M413-P515 HydrophobicContact CE-CB 4.36Å; P515-M519 VanDerWaalsContact O-CB 3.3Å; P515-M519 WeakPolarHBondContact O-CB 3.12Å; P515-M519 WeakPolarHBondContact O-CE 3.13Å; P515-M519 VanDerWaalsContact O-CG 3.26Å; P515-M519 WeakPolarHBondContact O-CG 3.5Å; P515-M519 PolarHBondContact O-N 3.07Å |
| 516 | E | 88 | Confident | 82.7 | Confident | 38 Ų | 38 | 37.1 Ų | 37.1 | 18% | 0.178 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -66.1 | -46.2 | 176.3 | -56.4 | 74.1 | -158.8 | 0 | 0 | 111.6 | Y510 S514 M519 R520 L542 F546 | Y510-E516 HydrophobicContact CD1-CB 3.92Å; Y510-E516 HydrophobicContact CD1-CG 4.29Å; Y510-E516 HydrophobicContact CE1-CB 3.91Å; Y510-E516 HydrophobicContact CE1-CG 3.9Å; S514-E516 WeakPolarHBondContact CB-OE2 3.32Å; S514-E516 PolarHBondContact O-N 2.69Å; E516-M519 PolarHBondContact O-N 3.28Å; E516-R520 WeakPolarHBondContact O-CB 3.33Å; E516-R520 PolarHBondContact O-N 2.98Å; E516-L542 HydrophobicContact CB-CD2 4.38Å; E516-L542 WeakPolarHBondContact O-CD2 3.2Å; E516-F546 HydrophobicContact CB-CE1 3.73Å; E516-F546 HydrophobicContact CB-CZ 4.33Å; E516-F546 HydrophobicContact CG-CE1 4.38Å |
| 517 | S | 87 | Confident | 85.1 | Confident | 11 Ų | 11 | 32.8 Ų | 32.8 | 8% | 0.077 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65 | -41.4 | 175.4 | -172.9 | 0 | 0 | 0 | 0 | 111.8 | S511 S514 R520 R521 | S511-S517 WeakPolarHBondContact O-CB 3.29Å; S514-S517 PolarHBondContact O-N 3.31Å; S514-S517 WeakPolarHBondContact OG-CB 3.31Å; S514-S517 PolarHBondContact OG-N 3.18Å; S517-R520 PolarHBondContact O-N 3.46Å; S517-R521 WeakPolarHBondContact O-CG 3.42Å; S517-R521 PolarHBondContact O-N 3.39Å |
| 518 | Q | 89.6 | Confident | 86.8 | Confident | 2 Ų | 2 | 28.5 Ų | 28.5 | 1% | 0.009 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64 | -42.9 | 176.5 | -69.5 | 179.1 | -6.4 | 0 | 0 | 112.3 | L405 I409 D513 S514 R520 R521 L522 | L405-Q518 HydrophobicContact CD2-CB 4.27Å; L405-Q518 HydrophobicContact CD2-CG 4.35Å; I409-Q518 HydrophobicContact CD1-CB 4.25Å; I409-Q518 HydrophobicContact CG1-CB 3.87Å; D513-Q518 PolarHBondContact O-NE2 2.97Å; S514-Q518 WeakPolarHBondContact O-CG 3.46Å; S514-Q518 PolarHBondContact O-N 3.46Å; Q518-R520 VanDerWaalsContact C-N 3.31Å; Q518-R520 PolarHBondContact O-N 3.27Å; Q518-R521 PolarHBondContact O-N 3.23Å; Q518-L522 WeakPolarHBondContact O-CB 3.29Å; Q518-L522 PolarHBondContact O-N 3.34Å |
| 519 | M | 91.5 | Very high | 88 | Confident | 7 Ų | 7 | 26 Ų | 26 | 3% | 0.034 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.4 | -39.3 | 173.9 | -80.2 | -172 | -64.6 | 0 | 0 | 111.3 | I409 M413 P515 E516 L522 A523 T538 L542 | I409-M519 HydrophobicContact CD1-CB 4.36Å; I409-M519 HydrophobicContact CD1-CG 3.71Å; I409-M519 HydrophobicContact CG1-CG 3.98Å; I409-M519 HydrophobicContact CG2-CG 3.84Å; I409-M519 HydrophobicContact CG2-SD 4.27Å; M413-M519 HydrophobicContact CE-CE 3.92Å; P515-M519 VanDerWaalsContact O-CB 3.3Å; P515-M519 WeakPolarHBondContact O-CB 3.12Å; P515-M519 WeakPolarHBondContact O-CE 3.13Å; P515-M519 VanDerWaalsContact O-CG 3.26Å; P515-M519 WeakPolarHBondContact O-CG 3.5Å; P515-M519 PolarHBondContact O-N 3.07Å; E516-M519 PolarHBondContact O-N 3.28Å; M519-L522 PolarHBondContact O-N 3.37Å; M519-A523 WeakPolarHBondContact O-CB 3.34Å; M519-A523 PolarHBondContact O-N 2.71Å; M519-T538 HydrophobicContact CB-CG2 4.15Å; M519-T538 WeakPolarHBondContact O-CG2 3.49Å; M519-L542 HydrophobicContact CB-CD1 4.09Å; M519-L542 HydrophobicContact CB-CD2 3.72Å; M519-L542 HydrophobicContact CB-CG 4.06Å; M519-L542 HydrophobicContact CE-CD2 3.88Å |
| 520 | R | 92.7 | Very high | 89.1 | Confident | 4 Ų | 4 | 23.2 Ų | 23.2 | 2% | 0.015 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -65.3 | -45 | 177.7 | -178.4 | 53.8 | -173.8 | -126.2 | 16.9 | 111.8 | F141 E516 S517 Q518 L522 A523 D524 L542 G557 A558 | F141-R520 HydrophobicContact CD2-CB 4.4Å; F141-R520 HydrophobicContact CD2-CG 3.79Å; F141-R520 HydrophobicContact CE2-CB 4.11Å; F141-R520 HydrophobicContact CE2-CG 3.75Å; E516-R520 WeakPolarHBondContact O-CB 3.33Å; E516-R520 PolarHBondContact O-N 2.98Å; S517-R520 PolarHBondContact O-N 3.46Å; Q518-R520 VanDerWaalsContact C-N 3.31Å; Q518-R520 PolarHBondContact O-N 3.27Å; R520-L522 PolarHBondContact O-N 3.12Å; R520-A523 PolarHBondContact O-N 3.26Å; R520-D524 IonicContact CZ-OD1 3.1Å; R520-D524 IonicContact CZ-OD2 3.84Å; R520-D524 IonicContact NE-OD1 2.75Å; R520-D524 PolarHBondContact NE-OD1 3.08Å; R520-D524 IonicContact NE-OD2 3.37Å; R520-D524 PolarHBondContact NE-OD2 3.07Å; R520-D524 IonicContact NH2-OD1 2.8Å; R520-D524 PolarHBondContact O-N 3.39Å; R520-L542 HydrophobicContact CB-CD1 3.91Å; R520-G557 PolarHBondContact NH1-O 3.18Å; R520-G557 PolarHBondContact NH2-O 3.39Å; R520-A558 VanDerWaalsContact NH1-CA 3.3Å |
| 521 | R | 92.4 | Very high | 89.5 | Confident | 21 Ų | 21 | 22.3 Ų | 22.3 | 8% | 0.079 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -59.7 | -44 | 174.5 | -71.6 | 168.7 | 73.2 | -168 | 5.3 | 112 | F141 F185 L405 S517 Q518 A523 D524 L525 | F141-R521 HydrophobicContact CB-CG 4.34Å; F141-R521 HydrophobicContact CD1-CG 3.76Å; F141-R521 HydrophobicContact CD2-CB 4.45Å; F141-R521 HydrophobicContact CD2-CG 3.52Å; F141-R521 HydrophobicContact CE1-CG 3.86Å; F141-R521 HydrophobicContact CE2-CG 3.63Å; F141-R521 HydrophobicContact CG-CG 3.58Å; F141-R521 HydrophobicContact CZ-CG 3.8Å; F185-R521 HydrophobicContact CE2-CB 4.28Å; F185-R521 HydrophobicContact CE2-CG 4.43Å; F185-R521 HydrophobicContact CZ-CB 3.77Å; F185-R521 HydrophobicContact CZ-CG 4.27Å; F185-R521 PolarHBondContact O-NE 3.4Å; F185-R521 PolarHBondContact O-NH2 2.76Å; L405-R521 HydrophobicContact CD1-CB 4.19Å; S517-R521 WeakPolarHBondContact O-CG 3.42Å; S517-R521 PolarHBondContact O-N 3.39Å; Q518-R521 PolarHBondContact O-N 3.23Å; R521-A523 VanDerWaalsContact C-N 3.32Å; R521-A523 PolarHBondContact O-N 3.32Å; R521-D524 PolarHBondContact O-N 3.42Å; R521-L525 VanDerWaalsContact O-CB 3.24Å; R521-L525 WeakPolarHBondContact O-CB 3.11Å; R521-L525 PolarHBondContact O-N 3.39Å |
| 522 | L | 92 | Very high | 90.1 | Very high | 2 Ų | 2 | 19.8 Ų | 19.8 | 1% | 0.01 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -59.7 | -44 | 175.3 | 177.1 | 69.1 | 0 | 0 | 0 | 111.4 | M402 L405 N406 I409 Q518 M519 R520 A526 | M402-L522 HydrophobicContact CB-CD1 4.35Å; M402-L522 HydrophobicContact CE-CD1 4.42Å; M402-L522 HydrophobicContact CG-CD1 4.39Å; L405-L522 HydrophobicContact CB-CB 4.38Å; L405-L522 HydrophobicContact CB-CD1 4.3Å; L405-L522 HydrophobicContact CD1-CB 4.29Å; N406-L522 WeakPolarHBondContact OD1-CD2 3.33Å; I409-L522 HydrophobicContact CD1-CB 4.33Å; I409-L522 HydrophobicContact CD1-CD2 3.84Å; Q518-L522 WeakPolarHBondContact O-CB 3.29Å; Q518-L522 PolarHBondContact O-N 3.34Å; M519-L522 PolarHBondContact O-N 3.37Å; R520-L522 PolarHBondContact O-N 3.12Å; L522-A526 VanDerWaalsContact O-CB 3.29Å; L522-A526 WeakPolarHBondContact O-CB 3.27Å; L522-A526 PolarHBondContact O-N 3.47Å |
| 523 | A | 94.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -68.1 | -43.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | M519 R520 R521 A526 F527 T538 Y539 | M519-A523 WeakPolarHBondContact O-CB 3.34Å; M519-A523 PolarHBondContact O-N 2.71Å; R520-A523 PolarHBondContact O-N 3.26Å; R521-A523 VanDerWaalsContact C-N 3.32Å; R521-A523 PolarHBondContact O-N 3.32Å; A523-A526 PolarHBondContact O-N 3.16Å; A523-F527 WeakPolarHBondContact O-CB 3.45Å; A523-F527 PolarHBondContact O-N 3.4Å; A523-T538 HydrophobicContact CB-CG2 3.81Å; A523-Y539 HydrophobicContact CB-CD1 3.84Å; A523-Y539 HydrophobicContact CB-CD2 4.46Å; A523-Y539 HydrophobicContact CB-CE1 3.39Å; A523-Y539 HydrophobicContact CB-CE2 4.07Å; A523-Y539 HydrophobicContact CB-CG 4.32Å; A523-Y539 VanDerWaalsContact CB-CZ 3.49Å; A523-Y539 PolarHBondContact O-OH 3.25Å |
| 524 | D | 95.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -64.5 | -42.5 | 177.6 | -76.9 | -36.6 | 0 | 0 | 0 | 110.3 | F141 R520 R521 F527 L528 Y539 | F141-D524 HydrophobicContact CB-CB 4.12Å; F141-D524 PolarHBondContact N-OD2 2.87Å; R520-D524 IonicContact CZ-OD1 3.1Å; R520-D524 IonicContact CZ-OD2 3.84Å; R520-D524 IonicContact NE-OD1 2.75Å; R520-D524 PolarHBondContact NE-OD1 3.08Å; R520-D524 IonicContact NE-OD2 3.37Å; R520-D524 PolarHBondContact NE-OD2 3.07Å; R520-D524 IonicContact NH2-OD1 2.8Å; R520-D524 PolarHBondContact O-N 3.39Å; R521-D524 PolarHBondContact O-N 3.42Å; D524-F527 WeakPolarHBondContact O-CB 3.46Å; D524-F527 PolarHBondContact O-N 3.18Å; D524-L528 WeakPolarHBondContact O-CG 3.42Å; D524-L528 PolarHBondContact O-N 2.83Å; D524-Y539 WeakPolarHBondContact CA-OH 3.35Å; D524-Y539 PolarHBondContact N-OH 2.93Å; D524-Y539 VanDerWaalsContact N-OH 3.09Å; D524-Y539 PolarHBondContact OD1-OH 3.43Å |
| 525 | L | 93.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -66 | -41.7 | 176.3 | -163.8 | 113.1 | 0 | 0 | 0 | 111.9 | L146 F185 V398 M402 R521 F527 L528 F529 | L146-L525 HydrophobicContact CD2-CD1 4.13Å; F185-L525 HydrophobicContact CD1-CD1 4.21Å; F185-L525 HydrophobicContact CE1-CD1 3.61Å; F185-L525 HydrophobicContact CE2-CD1 4.18Å; F185-L525 HydrophobicContact CZ-CB 4Å; F185-L525 HydrophobicContact CZ-CD1 3.59Å; F185-L525 HydrophobicContact CZ-CG 4.41Å; V398-L525 HydrophobicContact CG1-CD2 3.78Å; V398-L525 HydrophobicContact CG1-CG 4.39Å; M402-L525 HydrophobicContact CB-CD2 4.42Å; M402-L525 HydrophobicContact CG-CD2 3.08Å; M402-L525 HydrophobicContact SD-CD2 3.77Å; R521-L525 VanDerWaalsContact O-CB 3.24Å; R521-L525 WeakPolarHBondContact O-CB 3.11Å; R521-L525 PolarHBondContact O-N 3.39Å; L525-F527 VanDerWaalsContact C-N 3.29Å; L525-F527 PolarHBondContact O-N 2.86Å; L525-L528 PolarHBondContact O-N 3.41Å; L525-F529 HydrophobicContact CG-CD2 4.45Å; L525-F529 WeakPolarHBondContact O-CD2 3.01Å; L525-F529 PolarHBondContact O-N 2.61Å |
| 526 | A | 92.6 | Very high | 92 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -60.9 | -39 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | M402 L522 A523 F529 Q530 Q531 V534 A535 | M402-A526 HydrophobicContact CE-CB 4.23Å; L522-A526 VanDerWaalsContact O-CB 3.29Å; L522-A526 WeakPolarHBondContact O-CB 3.27Å; L522-A526 PolarHBondContact O-N 3.47Å; A523-A526 PolarHBondContact O-N 3.16Å; A526-F529 CarbonylContact O-C 3.31Å; A526-F529 PolarHBondContact O-N 2.58Å; A526-Q530 PolarHBondContact O-N 2.87Å; A526-Q531 HydrophobicContact CB-CB 4.19Å; A526-Q531 WeakPolarHBondContact O-CA 3.44Å; A526-Q531 WeakPolarHBondContact O-CB 3.37Å; A526-Q531 PolarHBondContact O-N 3.38Å; A526-V534 HydrophobicContact CB-CG1 4.4Å; A526-A535 HydrophobicContact CB-CB 4.19Å |
| 527 | F | 94.6 | Very high | 92.2 | Very high | 3 Ų | 3 | 17 Ų | 17 | 1% | 0.013 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -64.2 | -47.9 | 176.1 | -174.9 | -82.5 | 0 | 0 | 0 | 112.1 | F16 A523 D524 L525 F529 Q530 Y532 A535 M561 L564 S565 L568 | F16-F527 HydrophobicContact CB-CD1 4.4Å; F16-F527 HydrophobicContact CB-CE1 3.77Å; F16-F527 HydrophobicContact CD2-CE1 4.14Å; F16-F527 HydrophobicContact CD2-CZ 4.48Å; F16-F527 HydrophobicContact CG-CE1 4.09Å; A523-F527 WeakPolarHBondContact O-CB 3.45Å; A523-F527 PolarHBondContact O-N 3.4Å; D524-F527 WeakPolarHBondContact O-CB 3.46Å; D524-F527 PolarHBondContact O-N 3.18Å; L525-F527 VanDerWaalsContact C-N 3.29Å; L525-F527 PolarHBondContact O-N 2.86Å; F527-F529 PolarHBondContact O-N 3.32Å; F527-Q530 PolarHBondContact O-N 3.14Å; F527-Y532 AromaticContact CD2-CD1 3.88Å; F527-Y532 HydrophobicContact CD2-CD1 3.88Å; F527-Y532 HydrophobicContact CD2-CE1 4.14Å; F527-Y532 HydrophobicContact CE2-CD1 4.1Å; F527-Y532 HydrophobicContact CE2-CE1 4.19Å; F527-Y532 HydrophobicContact CG-CD1 4.37Å; F527-Y532 HydrophobicContact CG-CE1 4.33Å; F527-Y532 HydrophobicContact CZ-CE1 4.43Å; F527-Y532 WeakPolarHBondContact O-CE1 3.34Å; F527-A535 HydrophobicContact CB-CB 4.04Å; F527-M561 HydrophobicContact CB-CE 4.04Å; F527-M561 HydrophobicContact CD1-CE 3.2Å; F527-M561 HydrophobicContact CD1-SD 4.29Å; F527-M561 HydrophobicContact CD2-CE 3.76Å; F527-M561 HydrophobicContact CD2-CG 4.17Å; F527-M561 HydrophobicContact CD2-SD 4Å; F527-M561 HydrophobicContact CE1-CE 3.38Å; F527-M561 HydrophobicContact CE1-SD 4.05Å; F527-M561 HydrophobicContact CE2-CE 3.91Å; F527-M561 HydrophobicContact CE2-CG 4.33Å; F527-M561 HydrophobicContact CE2-SD 3.73Å; F527-M561 HydrophobicContact CG-CE 3.4Å; F527-M561 HydrophobicContact CG-SD 4.26Å; F527-M561 HydrophobicContact CZ-CE 3.72Å; F527-M561 HydrophobicContact CZ-SD 3.75Å; F527-L564 HydrophobicContact CE2-CB 4.02Å; F527-L564 HydrophobicContact CZ-CB 4.15Å; F527-S565 WeakPolarHBondContact CD2-OG 3.48Å; F527-L568 HydrophobicContact CE1-CD1 4.12Å; F527-L568 HydrophobicContact CE2-CD1 3.76Å; F527-L568 HydrophobicContact CZ-CD1 3.37Å |
| 528 | L | 93.8 | Very high | 92.4 | Very high | 6 Ų | 6 | 17 Ų | 17 | 3% | 0.031 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -58.8 | -30.8 | 179.6 | -73.3 | 176.8 | 0 | 0 | 0 | 113.2 | F16 P18 N142 L146 D524 L525 | F16-L528 HydrophobicContact CB-CD2 4.43Å; F16-L528 VanDerWaalsContact O-CD2 3.28Å; F16-L528 WeakPolarHBondContact O-CD2 3.26Å; P18-L528 HydrophobicContact CG-CB 4.18Å; N142-L528 HydrophobicContact CB-CD2 4.46Å; L146-L528 HydrophobicContact CD1-CD1 4.46Å; D524-L528 WeakPolarHBondContact O-CG 3.42Å; D524-L528 PolarHBondContact O-N 2.83Å; L525-L528 PolarHBondContact O-N 3.41Å |
| 529 | F | 92.7 | Very high | 92.7 | Very high | 1 Ų | 1 | 17 Ų | 17 | 0% | 0.004 | 8% | 0.08 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | 26.1 | 176.7 | -70.9 | -87.6 | 0 | 0 | 0 | 113.2 | P18 F55 V65 L68 L146 L394 L395 V398 L525 A526 F527 Q531 | P18-F529 HydrophobicContact CB-CZ 4.42Å; P18-F529 HydrophobicContact CG-CE1 4.43Å; P18-F529 HydrophobicContact CG-CE2 4.14Å; P18-F529 HydrophobicContact CG-CZ 3.95Å; F55-F529 HydrophobicContact CE1-CB 3.96Å; F55-F529 HydrophobicContact CZ-CB 3.75Å; V65-F529 WeakPolarHBondContact CG2-O 3.31Å; L68-F529 HydrophobicContact CD1-CD1 4.37Å; L68-F529 HydrophobicContact CD1-CE1 4.32Å; L68-F529 HydrophobicContact CD2-CE1 4.15Å; L146-F529 HydrophobicContact CD1-CE2 3.76Å; L146-F529 HydrophobicContact CD1-CZ 4.12Å; L394-F529 HydrophobicContact CD2-CZ 4.42Å; L394-F529 HydrophobicContact CG-CZ 4.41Å; L395-F529 HydrophobicContact CD2-CD1 3.69Å; L395-F529 HydrophobicContact CD2-CE1 3.53Å; V398-F529 HydrophobicContact CB-CE2 4.27Å; V398-F529 HydrophobicContact CB-CZ 4.3Å; V398-F529 HydrophobicContact CG1-CD1 4.41Å; V398-F529 HydrophobicContact CG1-CD2 3.71Å; V398-F529 HydrophobicContact CG1-CE1 4.43Å; V398-F529 HydrophobicContact CG1-CE2 3.74Å; V398-F529 HydrophobicContact CG1-CG 4.08Å; V398-F529 HydrophobicContact CG1-CZ 4.13Å; V398-F529 HydrophobicContact CG2-CD2 4.29Å; V398-F529 HydrophobicContact CG2-CE1 4.07Å; V398-F529 HydrophobicContact CG2-CE2 3.46Å; V398-F529 VanDerWaalsContact CG2-CE2 3.46Å; V398-F529 HydrophobicContact CG2-CZ 3.34Å; L525-F529 HydrophobicContact CG-CD2 4.45Å; L525-F529 WeakPolarHBondContact O-CD2 3.01Å; L525-F529 PolarHBondContact O-N 2.61Å; A526-F529 CarbonylContact O-C 3.31Å; A526-F529 PolarHBondContact O-N 2.58Å; F527-F529 PolarHBondContact O-N 3.32Å; F529-Q531 VanDerWaalsContact C-N 3.25Å; F529-Q531 PolarHBondContact O-N 2.87Å; F529-Q531 VanDerWaalsContact O-N 3.17Å |
| 530 | Q | 92.4 | Very high | 92.7 | Very high | 49 Ų | 49 | 18.2 Ų | 18.2 | 23% | 0.229 | 9% | 0.087 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.7 | 19.1 | 170.8 | -47.8 | -179.7 | 11.1 | 0 | 0 | 115.7 | V65 K66 A526 F527 Y532 | V65-Q530 HydrophobicContact CG1-CB 4.39Å; V65-Q530 HydrophobicContact CG1-CG 3.91Å; K66-Q530 VanDerWaalsContact N-OE1 3.15Å; K66-Q530 PolarHBondContact O-NE2 3.47Å; K66-Q530 PolarHBondContact O-OE1 3.34Å; A526-Q530 PolarHBondContact O-N 2.87Å; F527-Q530 PolarHBondContact O-N 3.14Å; Q530-Y532 VanDerWaalsContact C-N 3.27Å; Q530-Y532 HydrophobicContact CB-CE2 3.97Å; Q530-Y532 WeakPolarHBondContact CG-OH 3.44Å; Q530-Y532 PolarHBondContact O-N 3.21Å; Q530-Y532 VanDerWaalsContact O-N 3.14Å |
| 531 | Q | 90.3 | Very high | 92.7 | Very high | 14 Ų | 14 | 20.3 Ų | 20.3 | 7% | 0.065 | 10% | 0.101 | C | C | . | . | trans | -86.7 | 61.9 | 170.5 | -69.9 | -167.4 | 13.6 | 0 | 0 | 111.6 | F55 H63 A526 F529 E533 V534 A535 | F55-Q531 HydrophobicContact CE1-CG 4.14Å; F55-Q531 VanDerWaalsContact CZ-CD 3.48Å; F55-Q531 HydrophobicContact CZ-CG 3.66Å; H63-Q531 PolarHBondContact CD2-NE2 3.4Å; H63-Q531 VanDerWaalsContact CD2-NE2 3.28Å; A526-Q531 HydrophobicContact CB-CB 4.19Å; A526-Q531 WeakPolarHBondContact O-CA 3.44Å; A526-Q531 WeakPolarHBondContact O-CB 3.37Å; A526-Q531 PolarHBondContact O-N 3.38Å; F529-Q531 VanDerWaalsContact C-N 3.25Å; F529-Q531 PolarHBondContact O-N 2.87Å; F529-Q531 VanDerWaalsContact O-N 3.17Å; Q531-E533 VanDerWaalsContact C-N 3.27Å; Q531-E533 PolarHBondContact O-N 3.12Å; Q531-V534 HydrophobicContact CB-CB 4.39Å; Q531-V534 PolarHBondContact O-N 3.18Å; Q531-A535 PolarHBondContact O-N 3.5Å | ||
| 532 | Y | 92.9 | Very high | 92.7 | Very high | 23 Ų | 23 | 19.3 Ų | 19.3 | 9% | 0.09 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -63.3 | -27.4 | -171.5 | -54.8 | -54.8 | 0 | 0 | 0 | 114.7 | N13 F527 Q530 Y536 L568 Q569 | N13-Y532 PolarHBondContact OD1-OH 3.05Å; F527-Y532 AromaticContact CD2-CD1 3.88Å; F527-Y532 HydrophobicContact CD2-CD1 3.88Å; F527-Y532 HydrophobicContact CD2-CE1 4.14Å; F527-Y532 HydrophobicContact CE2-CD1 4.1Å; F527-Y532 HydrophobicContact CE2-CE1 4.19Å; F527-Y532 HydrophobicContact CG-CD1 4.37Å; F527-Y532 HydrophobicContact CG-CE1 4.33Å; F527-Y532 HydrophobicContact CZ-CE1 4.43Å; F527-Y532 WeakPolarHBondContact O-CE1 3.34Å; Q530-Y532 VanDerWaalsContact C-N 3.27Å; Q530-Y532 HydrophobicContact CB-CE2 3.97Å; Q530-Y532 WeakPolarHBondContact CG-OH 3.44Å; Q530-Y532 PolarHBondContact O-N 3.21Å; Q530-Y532 VanDerWaalsContact O-N 3.14Å; Y532-Y536 WeakPolarHBondContact O-CB 3.19Å; Y532-Y536 PolarHBondContact O-N 2.83Å; Y532-L568 HydrophobicContact CD1-CB 4Å; Y532-L568 HydrophobicContact CD1-CD1 4.05Å; Y532-L568 HydrophobicContact CD2-CB 3.73Å; Y532-L568 HydrophobicContact CE1-CB 3.88Å; Y532-L568 HydrophobicContact CE1-CD1 3.42Å; Y532-L568 VanDerWaalsContact CE1-CD1 3.42Å; Y532-L568 HydrophobicContact CE1-CG 4.3Å; Y532-L568 HydrophobicContact CE2-CB 3.6Å; Y532-L568 HydrophobicContact CE2-CD1 4.44Å; Y532-L568 HydrophobicContact CG-CB 3.93Å; Y532-Q569 PolarHBondContact O-NE2 3.27Å |
| 533 | E | 90.5 | Very high | 92.8 | Very high | 61 Ų | 61 | 20.6 Ų | 20.6 | 29% | 0.285 | 10% | 0.102 | S | C | . | . | H | α-helix | trans | -70.8 | -42.4 | 177 | -175.8 | 59.7 | -162.8 | 0 | 0 | 112.1 | Q531 Y536 Q537 Q569 R575 | Q531-E533 VanDerWaalsContact C-N 3.27Å; Q531-E533 PolarHBondContact O-N 3.12Å; E533-Y536 PolarHBondContact O-N 2.94Å; E533-Q537 VanDerWaalsContact O-CG 3.29Å; E533-Q537 WeakPolarHBondContact O-CG 3.01Å; E533-Q537 PolarHBondContact O-N 3.48Å; E533-Q537 VanDerWaalsContact O-N 3.1Å; E533-Q537 PolarHBondContact OE1-NE2 3.37Å; E533-Q569 PolarHBondContact OE2-NE2 3.11Å; E533-Q569 PolarHBondContact OE2-OE1 3.5Å; E533-R575 IonicContact OE1-CZ 3.02Å; E533-R575 IonicContact OE1-NH1 2.69Å; E533-R575 PolarHBondContact OE1-NH1 2.9Å; E533-R575 IonicContact OE1-NH2 3.86Å; E533-R575 PolarHBondContact OE1-NH2 3.29Å; E533-R575 IonicContact OE2-CZ 3.91Å; E533-R575 IonicContact OE2-NH1 3.4Å; E533-R575 PolarHBondContact OE2-NH1 3.28Å; E533-R575 IonicContact OE2-NH2 2.89Å |
| 534 | V | 89.5 | Confident | 92.6 | Very high | 52 Ų | 52 | 27.1 Ų | 27.1 | 32% | 0.315 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -67.4 | -41.3 | 176.8 | 179.6 | 0 | 0 | 0 | 0 | 110.3 | A526 Q531 T538 | A526-V534 HydrophobicContact CB-CG1 4.4Å; Q531-V534 HydrophobicContact CB-CB 4.39Å; Q531-V534 PolarHBondContact O-N 3.18Å; V534-T538 PolarHBondContact O-N 3.08Å; V534-T538 VanDerWaalsContact O-N 3.14Å; V534-T538 PolarHBondContact O-OG1 2.6Å |
| 535 | A | 93 | Very high | 92.4 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -60.6 | -51 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | A526 F527 Q531 Q537 T538 Y539 | A526-A535 HydrophobicContact CB-CB 4.19Å; F527-A535 HydrophobicContact CB-CB 4.04Å; Q531-A535 PolarHBondContact O-N 3.5Å; A535-Q537 PolarHBondContact O-N 3.23Å; A535-T538 PolarHBondContact O-N 3.2Å; A535-Y539 VanDerWaalsContact C-CD2 3.49Å; A535-Y539 HydrophobicContact CB-CD2 4.29Å; A535-Y539 HydrophobicContact CB-CE2 3.8Å; A535-Y539 WeakPolarHBondContact O-CD2 3.13Å; A535-Y539 PolarHBondContact O-N 3.29Å |
| 536 | Y | 93.8 | Very high | 92.3 | Very high | 39 Ų | 39 | 29.2 Ų | 29.2 | 15% | 0.153 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -56 | -47.1 | 178.7 | 173.6 | -110.8 | 0 | 0 | 0 | 113.3 | Y532 E533 T538 Y539 N540 S562 V566 | Y532-Y536 WeakPolarHBondContact O-CB 3.19Å; Y532-Y536 PolarHBondContact O-N 2.83Å; E533-Y536 PolarHBondContact O-N 2.94Å; Y536-T538 VanDerWaalsContact C-N 3.32Å; Y536-T538 PolarHBondContact O-N 3.44Å; Y536-Y539 PolarHBondContact O-N 3.43Å; Y536-N540 WeakPolarHBondContact CE1-ND2 3.18Å; Y536-N540 WeakPolarHBondContact CE2-ND2 3.23Å; Y536-N540 PolarHBondContact O-N 2.96Å; Y536-N540 PolarHBondContact O-ND2 3.4Å; Y536-N540 PolarHBondContact OH-ND2 3.49Å; Y536-S562 WeakPolarHBondContact CD2-O 3.49Å; Y536-V566 HydrophobicContact CD2-CG2 3.38Å; Y536-V566 HydrophobicContact CE1-CG2 4.43Å; Y536-V566 HydrophobicContact CE2-CG2 3.21Å; Y536-V566 HydrophobicContact CG-CG2 4.05Å |
| 537 | Q | 92 | Very high | 92.2 | Very high | 62 Ų | 62 | 33.7 Ų | 33.7 | 29% | 0.29 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -61.4 | -43.8 | 179.7 | -71.5 | 175.1 | 10.8 | 0 | 0 | 111.2 | E533 A535 N540 V541 | E533-Q537 VanDerWaalsContact O-CG 3.29Å; E533-Q537 WeakPolarHBondContact O-CG 3.01Å; E533-Q537 PolarHBondContact O-N 3.48Å; E533-Q537 VanDerWaalsContact O-N 3.1Å; E533-Q537 PolarHBondContact OE1-NE2 3.37Å; A535-Q537 PolarHBondContact O-N 3.23Å; Q537-N540 PolarHBondContact O-N 3.43Å; Q537-V541 PolarHBondContact O-N 3.48Å |
| 538 | T | 92 | Very high | 92.1 | Very high | 12 Ų | 12 | 39.3 Ų | 39.3 | 7% | 0.074 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -66.8 | -43.8 | 178.4 | -47.5 | 0 | 0 | 0 | 0 | 111.7 | M519 A523 V534 A535 Y536 N540 V541 L542 | M519-T538 HydrophobicContact CB-CG2 4.15Å; M519-T538 WeakPolarHBondContact O-CG2 3.49Å; A523-T538 HydrophobicContact CB-CG2 3.81Å; V534-T538 PolarHBondContact O-N 3.08Å; V534-T538 VanDerWaalsContact O-N 3.14Å; V534-T538 PolarHBondContact O-OG1 2.6Å; A535-T538 PolarHBondContact O-N 3.2Å; Y536-T538 VanDerWaalsContact C-N 3.32Å; Y536-T538 PolarHBondContact O-N 3.44Å; T538-N540 VanDerWaalsContact C-N 3.32Å; T538-N540 PolarHBondContact O-N 3.05Å; T538-V541 PolarHBondContact O-N 2.99Å; T538-L542 HydrophobicContact CG2-CD1 4.21Å; T538-L542 PolarHBondContact O-N 3.11Å |
| 539 | Y | 95.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.4 | -35.6 | 176.5 | -68.9 | -52.2 | 0 | 0 | 0 | 113.5 | A523 D524 A535 Y536 V541 L542 K543 M561 | A523-Y539 HydrophobicContact CB-CD1 3.84Å; A523-Y539 HydrophobicContact CB-CD2 4.46Å; A523-Y539 HydrophobicContact CB-CE1 3.39Å; A523-Y539 HydrophobicContact CB-CE2 4.07Å; A523-Y539 HydrophobicContact CB-CG 4.32Å; A523-Y539 VanDerWaalsContact CB-CZ 3.49Å; A523-Y539 PolarHBondContact O-OH 3.25Å; D524-Y539 WeakPolarHBondContact CA-OH 3.35Å; D524-Y539 PolarHBondContact N-OH 2.93Å; D524-Y539 VanDerWaalsContact N-OH 3.09Å; D524-Y539 PolarHBondContact OD1-OH 3.43Å; A535-Y539 VanDerWaalsContact C-CD2 3.49Å; A535-Y539 HydrophobicContact CB-CD2 4.29Å; A535-Y539 HydrophobicContact CB-CE2 3.8Å; A535-Y539 WeakPolarHBondContact O-CD2 3.13Å; A535-Y539 PolarHBondContact O-N 3.29Å; Y536-Y539 PolarHBondContact O-N 3.43Å; Y539-V541 VanDerWaalsContact C-N 3.3Å; Y539-V541 PolarHBondContact O-N 3.16Å; Y539-L542 HydrophobicContact CD1-CD1 4.49Å; Y539-L542 PolarHBondContact O-N 3.21Å; Y539-K543 WeakPolarHBondContact O-CB 3.38Å; Y539-K543 PolarHBondContact O-N 3.35Å; Y539-M561 HydrophobicContact CD1-CB 4.21Å; Y539-M561 HydrophobicContact CD2-CB 4.02Å; Y539-M561 HydrophobicContact CD2-CG 4.07Å; Y539-M561 HydrophobicContact CE1-CB 3.89Å; Y539-M561 HydrophobicContact CE1-CG 3.9Å; Y539-M561 HydrophobicContact CE2-CB 3.7Å; Y539-M561 HydrophobicContact CE2-CG 3.27Å; Y539-M561 HydrophobicContact CG-CB 4.3Å; Y539-M561 WeakPolarHBondContact OH-CG 2.9Å |
| 540 | N | 91.7 | Very high | 91.6 | Very high | 34 Ų | 34 | 45.3 Ų | 45.3 | 18% | 0.182 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -68.3 | -29.9 | 177.7 | -87.2 | -32.8 | 0 | 0 | 0 | 113.6 | Y536 Q537 T538 K543 R544 | Y536-N540 WeakPolarHBondContact CE1-ND2 3.18Å; Y536-N540 WeakPolarHBondContact CE2-ND2 3.23Å; Y536-N540 PolarHBondContact O-N 2.96Å; Y536-N540 PolarHBondContact O-ND2 3.4Å; Y536-N540 PolarHBondContact OH-ND2 3.49Å; Q537-N540 PolarHBondContact O-N 3.43Å; T538-N540 VanDerWaalsContact C-N 3.32Å; T538-N540 PolarHBondContact O-N 3.05Å; N540-K543 WeakPolarHBondContact OD1-CE 3.08Å; N540-K543 PolarHBondContact OD1-NZ 2.82Å; N540-R544 PolarHBondContact O-NE 3.01Å |
| 541 | V | 91.4 | Very high | 91.4 | Very high | 48 Ų | 48 | 43.2 Ų | 43.2 | 29% | 0.291 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -70.6 | -56 | 171.7 | 176.2 | 0 | 0 | 0 | 0 | 108.7 | Q537 T538 Y539 K543 R544 D545 | Q537-V541 PolarHBondContact O-N 3.48Å; T538-V541 PolarHBondContact O-N 2.99Å; Y539-V541 VanDerWaalsContact C-N 3.3Å; Y539-V541 PolarHBondContact O-N 3.16Å; V541-K543 VanDerWaalsContact C-N 3.29Å; V541-K543 PolarHBondContact O-N 3.15Å; V541-R544 PolarHBondContact O-N 3.39Å; V541-D545 WeakPolarHBondContact CG1-OD2 2.94Å; V541-D545 PolarHBondContact O-N 3.44Å |
| 542 | L | 93.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -54.1 | -41.4 | 179.9 | -77 | 172.8 | 0 | 0 | 0 | 114.1 | E516 M519 R520 T538 Y539 R544 D545 F546 A558 | E516-L542 HydrophobicContact CB-CD2 4.38Å; E516-L542 WeakPolarHBondContact O-CD2 3.2Å; M519-L542 HydrophobicContact CB-CD1 4.09Å; M519-L542 HydrophobicContact CB-CD2 3.72Å; M519-L542 HydrophobicContact CB-CG 4.06Å; M519-L542 HydrophobicContact CE-CD2 3.88Å; R520-L542 HydrophobicContact CB-CD1 3.91Å; T538-L542 HydrophobicContact CG2-CD1 4.21Å; T538-L542 PolarHBondContact O-N 3.11Å; Y539-L542 HydrophobicContact CD1-CD1 4.49Å; Y539-L542 PolarHBondContact O-N 3.21Å; L542-R544 VanDerWaalsContact C-N 3.25Å; L542-R544 PolarHBondContact O-N 2.83Å; L542-D545 PolarHBondContact O-N 3.21Å; L542-F546 HydrophobicContact CB-CD2 4.1Å; L542-F546 HydrophobicContact CB-CE2 3.78Å; L542-F546 HydrophobicContact CB-CZ 4.42Å; L542-F546 HydrophobicContact CD1-CE2 4.44Å; L542-F546 HydrophobicContact CD2-CE1 4.33Å; L542-F546 HydrophobicContact CD2-CE2 3.97Å; L542-F546 HydrophobicContact CD2-CZ 3.75Å; L542-F546 HydrophobicContact CG-CE2 4.3Å; L542-F546 WeakPolarHBondContact O-CB 3.3Å; L542-F546 WeakPolarHBondContact O-CD2 3.46Å; L542-F546 WeakPolarHBondContact O-CG 3.24Å; L542-F546 PolarHBondContact O-N 3.45Å; L542-A558 HydrophobicContact CB-CB 4.43Å |
| 543 | K | 93.6 | Very high | 91 | Very high | 28 Ų | 28 | 47 Ų | 47 | 12% | 0.122 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -51.9 | -44.7 | 175.7 | 165.2 | 172.3 | 65.2 | -166.2 | 0 | 112 | Y539 N540 V541 Q547 H555 A558 Q559 | Y539-K543 WeakPolarHBondContact O-CB 3.38Å; Y539-K543 PolarHBondContact O-N 3.35Å; N540-K543 WeakPolarHBondContact OD1-CE 3.08Å; N540-K543 PolarHBondContact OD1-NZ 2.82Å; V541-K543 VanDerWaalsContact C-N 3.29Å; V541-K543 PolarHBondContact O-N 3.15Å; K543-Q547 WeakPolarHBondContact O-CB 3.44Å; K543-Q547 PolarHBondContact O-N 3.35Å; K543-Q547 VanDerWaalsContact O-N 3.16Å; K543-H555 PolarHBondContact O-CE1 3.26Å; K543-H555 PolarHBondContact O-ND1 3.47Å; K543-A558 HydrophobicContact CB-CB 4.3Å; K543-Q559 HydrophobicContact CD-CG 3.54Å; K543-Q559 HydrophobicContact CG-CG 4.01Å |
| 544 | R | 90.9 | Very high | 91 | Very high | 137 Ų | 137 | 45.1 Ų | 45.1 | 52% | 0.517 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -74 | -40.6 | -178.3 | -70.5 | -177.8 | -70.7 | 147.8 | 0.6 | 110.9 | N540 V541 L542 Q547 N548 | N540-R544 PolarHBondContact O-NE 3.01Å; V541-R544 PolarHBondContact O-N 3.39Å; L542-R544 VanDerWaalsContact C-N 3.25Å; L542-R544 PolarHBondContact O-N 2.83Å; R544-Q547 WeakPolarHBondContact O-CB 3.47Å; R544-Q547 PolarHBondContact O-N 3.11Å; R544-N548 PolarHBondContact O-N 3.48Å; R544-N548 PolarHBondContact O-ND2 3.31Å |
| 545 | D | 90.1 | Very high | 91.1 | Very high | 43 Ų | 43 | 43 Ų | 43 | 23% | 0.23 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.2 | -48.9 | 179.3 | -59.5 | -19.6 | 0 | 0 | 0 | 110.7 | V541 L542 Q547 N548 D549 | V541-D545 WeakPolarHBondContact CG1-OD2 2.94Å; V541-D545 PolarHBondContact O-N 3.44Å; L542-D545 PolarHBondContact O-N 3.21Å; D545-Q547 VanDerWaalsContact C-N 3.26Å; D545-Q547 PolarHBondContact O-N 3.38Å; D545-N548 WeakPolarHBondContact O-CB 3.42Å; D545-N548 PolarHBondContact O-N 2.81Å; D545-N548 VanDerWaalsContact O-N 3.1Å; D545-D549 PolarHBondContact O-N 3.46Å |
| 546 | F | 92.4 | Very high | 91.1 | Very high | 1 Ų | 1 | 43 Ų | 43 | 0% | 0.004 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.3 | -30.8 | 175.3 | -63.9 | -34.9 | 0 | 0 | 0 | 113.8 | Y510 E516 L542 S550 A551 H554 H555 A558 | Y510-F546 HydrophobicContact CD2-CE1 4.19Å; Y510-F546 HydrophobicContact CE1-CD1 4.48Å; Y510-F546 HydrophobicContact CE1-CE1 4.26Å; Y510-F546 AromaticContact CE2-CD1 3.79Å; Y510-F546 HydrophobicContact CE2-CD1 3.79Å; Y510-F546 AromaticContact CE2-CE1 3.59Å; Y510-F546 HydrophobicContact CE2-CE1 3.59Å; Y510-F546 AromaticContact CZ-CD1 3.63Å; Y510-F546 AromaticContact CZ-CE1 3.65Å; Y510-F546 WeakPolarHBondContact OH-CD1 3.49Å; E516-F546 HydrophobicContact CB-CE1 3.73Å; E516-F546 HydrophobicContact CB-CZ 4.33Å; E516-F546 HydrophobicContact CG-CE1 4.38Å; L542-F546 HydrophobicContact CB-CD2 4.1Å; L542-F546 HydrophobicContact CB-CE2 3.78Å; L542-F546 HydrophobicContact CB-CZ 4.42Å; L542-F546 HydrophobicContact CD1-CE2 4.44Å; L542-F546 HydrophobicContact CD2-CE1 4.33Å; L542-F546 HydrophobicContact CD2-CE2 3.97Å; L542-F546 HydrophobicContact CD2-CZ 3.75Å; L542-F546 HydrophobicContact CG-CE2 4.3Å; L542-F546 WeakPolarHBondContact O-CB 3.3Å; L542-F546 WeakPolarHBondContact O-CD2 3.46Å; L542-F546 WeakPolarHBondContact O-CG 3.24Å; L542-F546 PolarHBondContact O-N 3.45Å; F546-S550 PolarHBondContact O-N 2.89Å; F546-A551 HydrophobicContact CB-CB 4.46Å; F546-A551 PolarHBondContact O-N 3.31Å; F546-H554 HydrophobicContact CB-CB 4.26Å; F546-H554 HydrophobicContact CD1-CB 3.85Å; F546-H554 VanDerWaalsContact CD2-C 3.49Å; F546-H554 HydrophobicContact CD2-CB 3.66Å; F546-H554 WeakPolarHBondContact CD2-O 3.47Å; F546-H554 HydrophobicContact CE1-CB 3.96Å; F546-H554 HydrophobicContact CE2-CB 3.82Å; F546-H554 HydrophobicContact CG-CB 3.68Å; F546-H554 HydrophobicContact CZ-CB 3.95Å; F546-H555 HydrophobicContact CB-CB 3.93Å; F546-A558 HydrophobicContact CD2-CB 4.08Å; F546-A558 HydrophobicContact CE2-CB 4.28Å |
| 547 | Q | 91.1 | Very high | 91 | Very high | 94 Ų | 94 | 41.1 Ų | 41.1 | 44% | 0.439 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -69 | -44.1 | 174.5 | -171 | 177.2 | -6.6 | 0 | 0 | 111.2 | K543 R544 D545 D549 S550 W552 | K543-Q547 WeakPolarHBondContact O-CB 3.44Å; K543-Q547 PolarHBondContact O-N 3.35Å; K543-Q547 VanDerWaalsContact O-N 3.16Å; R544-Q547 WeakPolarHBondContact O-CB 3.47Å; R544-Q547 PolarHBondContact O-N 3.11Å; D545-Q547 VanDerWaalsContact C-N 3.26Å; D545-Q547 PolarHBondContact O-N 3.38Å; Q547-D549 VanDerWaalsContact C-N 3.27Å; Q547-D549 PolarHBondContact O-N 3.26Å; Q547-S550 PolarHBondContact O-N 3.39Å; Q547-W552 HydrophobicContact CG-CZ3 4.39Å |
| 548 | N | 90.6 | Very high | 91.1 | Very high | 121 Ų | 121 | 38.1 Ų | 38.1 | 65% | 0.647 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -63.3 | -38.1 | 177.7 | -65.2 | -24.7 | 0 | 0 | 0 | 111 | R544 D545 S550 | R544-N548 PolarHBondContact O-N 3.48Å; R544-N548 PolarHBondContact O-ND2 3.31Å; D545-N548 WeakPolarHBondContact O-CB 3.42Å; D545-N548 PolarHBondContact O-N 2.81Å; D545-N548 VanDerWaalsContact O-N 3.1Å; N548-S550 PolarHBondContact O-N 3.09Å |
| 549 | D | 88.6 | Confident | 91.3 | Very high | 68 Ų | 68 | 38.3 Ų | 38.3 | 36% | 0.364 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -7.4 | 176.1 | -68.1 | -14.5 | 0 | 0 | 0 | 112.4 | I508 Y510 D545 Q547 A551 | I508-D549 HydrophobicContact CD1-CB 4.37Å; I508-D549 WeakPolarHBondContact CD1-O 3.41Å; Y510-D549 WeakPolarHBondContact OH-CB 3.07Å; Y510-D549 PolarHBondContact OH-OD2 2.66Å; D545-D549 PolarHBondContact O-N 3.46Å; Q547-D549 VanDerWaalsContact C-N 3.27Å; Q547-D549 PolarHBondContact O-N 3.26Å; D549-A551 HydrophobicContact CB-CB 4.44Å; D549-A551 PolarHBondContact O-N 3.44Å |
| 550 | S | 88.5 | Confident | 91.2 | Very high | 66 Ų | 66 | 38.4 Ų | 38.4 | 46% | 0.462 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.3 | 25.9 | -172.5 | -52.1 | 0 | 0 | 0 | 0 | 113.8 | F546 Q547 N548 W552 | F546-S550 PolarHBondContact O-N 2.89Å; Q547-S550 PolarHBondContact O-N 3.39Å; N548-S550 PolarHBondContact O-N 3.09Å; S550-W552 VanDerWaalsContact C-N 3.32Å; S550-W552 PolarHBondContact O-N 3.11Å; S550-W552 VanDerWaalsContact O-N 3.09Å |
| 551 | A | 87 | Confident | 91.4 | Very high | 5 Ų | 5 | 37 Ų | 37 | 4% | 0.041 | 18% | 0.182 | C | C | . | . | trans | -84.6 | 70.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | I508 Y510 F546 D549 L553 H554 H555 | I508-A551 HydrophobicContact CB-CB 4.2Å; I508-A551 HydrophobicContact CD1-CB 4.35Å; I508-A551 HydrophobicContact CG2-CB 4.38Å; Y510-A551 HydrophobicContact CE2-CB 3.81Å; Y510-A551 VanDerWaalsContact OH-CB 3.26Å; Y510-A551 WeakPolarHBondContact OH-CB 3.46Å; F546-A551 HydrophobicContact CB-CB 4.46Å; F546-A551 PolarHBondContact O-N 3.31Å; D549-A551 HydrophobicContact CB-CB 4.44Å; D549-A551 PolarHBondContact O-N 3.44Å; A551-L553 PolarHBondContact O-N 3.2Å; A551-H554 HydrophobicContact CB-CB 4.25Å; A551-H554 PolarHBondContact O-N 3.3Å; A551-H554 VanDerWaalsContact O-N 3.12Å; A551-H555 PolarHBondContact O-N 2.97Å | ||
| 552 | W | 88.4 | Confident | 91.5 | Very high | 95 Ų | 95 | 34.7 Ų | 34.7 | 36% | 0.36 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -56.5 | -38.7 | -168.1 | -62.1 | 116 | 0 | 0 | 0 | 115.5 | Q547 S550 H555 A556 T588 | Q547-W552 HydrophobicContact CG-CZ3 4.39Å; S550-W552 VanDerWaalsContact C-N 3.32Å; S550-W552 PolarHBondContact O-N 3.11Å; S550-W552 VanDerWaalsContact O-N 3.09Å; W552-H555 WeakPolarHBondContact O-CB 3.1Å; W552-H555 PolarHBondContact O-N 3.1Å; W552-A556 WeakPolarHBondContact O-CB 3.42Å; W552-A556 PolarHBondContact O-N 3.33Å; W552-T588 HydrophobicContact CB-CG2 3.92Å; W552-T588 HydrophobicContact CE3-CG2 4.22Å |
| 553 | L | 87.7 | Confident | 91.5 | Very high | 22 Ų | 22 | 34.7 Ų | 34.7 | 12% | 0.115 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.9 | -45.5 | 178.2 | -174.2 | 70.6 | 0 | 0 | 0 | 111.5 | H139 A551 A556 G557 Y589 L594 L598 | H139-L553 HydrophobicContact CB-CD2 4.48Å; H139-L553 HydrophobicContact CB-CG 4.36Å; H139-L553 PolarHBondContact CD2-O 2.71Å; H139-L553 WeakPolarHBondContact ND1-CD2 3.22Å; H139-L553 WeakPolarHBondContact ND1-CG 3.39Å; A551-L553 PolarHBondContact O-N 3.2Å; L553-A556 PolarHBondContact O-N 3.17Å; L553-G557 PolarHBondContact O-N 3.15Å; L553-G557 VanDerWaalsContact O-N 3.07Å; L553-Y589 HydrophobicContact CD1-CD1 4.04Å; L553-Y589 HydrophobicContact CD1-CE1 3.84Å; L553-L594 HydrophobicContact CD2-CD2 4.19Å; L553-L598 HydrophobicContact CD1-CD1 4.21Å |
| 554 | H | 89.5 | Confident | 91.5 | Very high | 20 Ų | 20 | 33.4 Ų | 33.4 | 9% | 0.093 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -65.4 | -40.5 | 176.3 | -65.1 | 84 | 0 | 0 | 0 | 111.7 | H139 Y510 F546 A551 G557 A558 | H139-H554 HydrophobicContact CB-CB 4.33Å; H139-H554 WeakPolarHBondContact CB-CD2 3.49Å; Y510-H554 AromaticContact CD2-CD2 3.66Å; Y510-H554 AromaticContact CD2-CE1 3.7Å; Y510-H554 AromaticContact CD2-CG 3.97Å; Y510-H554 AromaticContact CD2-ND1 3.97Å; Y510-H554 AromaticContact CD2-NE2 3.5Å; Y510-H554 HydrophobicContact CE2-CB 4.27Å; Y510-H554 AromaticContact CE2-CD2 3.88Å; Y510-H554 AromaticContact CE2-CE1 3.97Å; Y510-H554 AromaticContact CE2-CG 3.73Å; Y510-H554 AromaticContact CE2-ND1 3.77Å; F546-H554 HydrophobicContact CB-CB 4.26Å; F546-H554 HydrophobicContact CD1-CB 3.85Å; F546-H554 VanDerWaalsContact CD2-C 3.49Å; F546-H554 HydrophobicContact CD2-CB 3.66Å; F546-H554 WeakPolarHBondContact CD2-O 3.47Å; F546-H554 HydrophobicContact CE1-CB 3.96Å; F546-H554 HydrophobicContact CE2-CB 3.82Å; F546-H554 HydrophobicContact CG-CB 3.68Å; F546-H554 HydrophobicContact CZ-CB 3.95Å; A551-H554 HydrophobicContact CB-CB 4.25Å; A551-H554 PolarHBondContact O-N 3.3Å; A551-H554 VanDerWaalsContact O-N 3.12Å; H554-G557 PolarHBondContact O-N 3.32Å; H554-A558 WeakPolarHBondContact O-CB 3.38Å; H554-A558 PolarHBondContact O-N 3.39Å |
| 555 | H | 92.5 | Very high | 91.6 | Very high | 7 Ų | 7 | 26.9 Ų | 26.9 | 3% | 0.032 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -59.5 | -49.6 | 174.4 | 178.6 | 76.1 | 0 | 0 | 0 | 112 | K543 F546 A551 W552 G557 A558 Q559 | K543-H555 PolarHBondContact O-CE1 3.26Å; K543-H555 PolarHBondContact O-ND1 3.47Å; F546-H555 HydrophobicContact CB-CB 3.93Å; A551-H555 PolarHBondContact O-N 2.97Å; W552-H555 WeakPolarHBondContact O-CB 3.1Å; W552-H555 PolarHBondContact O-N 3.1Å; H555-G557 PolarHBondContact O-N 2.79Å; H555-A558 PolarHBondContact O-N 2.93Å; H555-Q559 PolarHBondContact CE1-NE2 3.08Å; H555-Q559 PolarHBondContact NE2-NE2 3.24Å; H555-Q559 WeakPolarHBondContact O-CG 3.37Å; H555-Q559 PolarHBondContact O-N 3.48Å |
| 556 | A | 92.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -60.4 | -46.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | W552 L553 A558 Q559 E560 A585 T588 Y589 | W552-A556 WeakPolarHBondContact O-CB 3.42Å; W552-A556 PolarHBondContact O-N 3.33Å; L553-A556 PolarHBondContact O-N 3.17Å; A556-A558 VanDerWaalsContact C-N 3.3Å; A556-A558 PolarHBondContact O-N 2.86Å; A556-Q559 WeakPolarHBondContact O-CB 3.38Å; A556-Q559 PolarHBondContact O-N 3.34Å; A556-E560 PolarHBondContact O-N 3.34Å; A556-A585 WeakPolarHBondContact O-CB 3.32Å; A556-T588 HydrophobicContact CB-CG2 3.9Å; A556-Y589 HydrophobicContact CB-CD1 3.8Å; A556-Y589 HydrophobicContact CB-CD2 4.18Å; A556-Y589 HydrophobicContact CB-CE1 3.6Å; A556-Y589 HydrophobicContact CB-CE2 4.01Å; A556-Y589 HydrophobicContact CB-CG 4.1Å |
| 557 | G | 92 | Very high | 91.7 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -67.1 | -28.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | R520 L553 H554 H555 M561 Y589 | R520-G557 PolarHBondContact NH1-O 3.18Å; R520-G557 PolarHBondContact NH2-O 3.39Å; L553-G557 PolarHBondContact O-N 3.15Å; L553-G557 VanDerWaalsContact O-N 3.07Å; H554-G557 PolarHBondContact O-N 3.32Å; H555-G557 PolarHBondContact O-N 2.79Å; G557-M561 WeakPolarHBondContact O-CB 3.3Å; G557-M561 PolarHBondContact O-N 2.92Å; G557-Y589 WeakPolarHBondContact CA-OH 3.42Å; G557-Y589 PolarHBondContact N-OH 3.42Å |
| 558 | A | 94.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -72.5 | -37.9 | 173 | 0 | 0 | 0 | 0 | 0 | 111.3 | R520 L542 K543 F546 H554 H555 A556 S562 | R520-A558 VanDerWaalsContact NH1-CA 3.3Å; L542-A558 HydrophobicContact CB-CB 4.43Å; K543-A558 HydrophobicContact CB-CB 4.3Å; F546-A558 HydrophobicContact CD2-CB 4.08Å; F546-A558 HydrophobicContact CE2-CB 4.28Å; H554-A558 WeakPolarHBondContact O-CB 3.38Å; H554-A558 PolarHBondContact O-N 3.39Å; H555-A558 PolarHBondContact O-N 2.93Å; A556-A558 VanDerWaalsContact C-N 3.3Å; A556-A558 PolarHBondContact O-N 2.86Å; A558-S562 VanDerWaalsContact O-CB 3.24Å; A558-S562 WeakPolarHBondContact O-CB 3.27Å; A558-S562 PolarHBondContact O-N 2.85Å; A558-S562 PolarHBondContact O-OG 3.46Å |
| 559 | Q | 94.4 | Very high | 91.7 | Very high | 15 Ų | 15 | 16.4 Ų | 16.4 | 7% | 0.07 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -62.8 | -50.5 | 173.3 | -76.8 | -175.3 | -14.4 | 0 | 0 | 112.1 | K543 H555 A556 M561 S562 A563 S584 A585 | K543-Q559 HydrophobicContact CD-CG 3.54Å; K543-Q559 HydrophobicContact CG-CG 4.01Å; H555-Q559 PolarHBondContact CE1-NE2 3.08Å; H555-Q559 PolarHBondContact NE2-NE2 3.24Å; H555-Q559 WeakPolarHBondContact O-CG 3.37Å; H555-Q559 PolarHBondContact O-N 3.48Å; A556-Q559 WeakPolarHBondContact O-CB 3.38Å; A556-Q559 PolarHBondContact O-N 3.34Å; Q559-M561 PolarHBondContact O-N 3.31Å; Q559-S562 PolarHBondContact O-N 3.28Å; Q559-S562 PolarHBondContact O-OG 3.27Å; Q559-A563 PolarHBondContact O-N 3.01Å; Q559-A563 VanDerWaalsContact O-N 3.09Å; Q559-S584 VanDerWaalsContact OE1-C 3.27Å; Q559-S584 VanDerWaalsContact OE1-CB 3.31Å; Q559-A585 HydrophobicContact CB-CB 3.88Å; Q559-A585 VanDerWaalsContact OE1-N 3.1Å |
| 560 | E | 94.5 | Very high | 91.3 | Very high | 3 Ų | 3 | 13.6 Ų | 13.6 | 1% | 0.014 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -50.9 | -55 | 176.4 | 179.7 | -175.2 | 179.5 | 0 | 0 | 110.5 | A556 S562 A563 L564 M582 A585 Y589 R601 S602 | A556-E560 PolarHBondContact O-N 3.34Å; E560-S562 PolarHBondContact O-N 3.03Å; E560-A563 PolarHBondContact O-N 3.3Å; E560-L564 HydrophobicContact CG-CD1 4.35Å; E560-L564 WeakPolarHBondContact O-CG 3.49Å; E560-L564 PolarHBondContact O-N 3.5Å; E560-L564 VanDerWaalsContact O-N 3.11Å; E560-M582 HydrophobicContact CB-CE 4.5Å; E560-M582 HydrophobicContact CB-SD 4.24Å; E560-M582 HydrophobicContact CG-CE 3.93Å; E560-M582 HydrophobicContact CG-SD 3.92Å; E560-A585 HydrophobicContact CB-CB 4.25Å; E560-Y589 PolarHBondContact OE2-OH 3.33Å; E560-R601 VanDerWaalsContact CD-NH2 3.31Å; E560-R601 IonicContact OE1-CZ 3.13Å; E560-R601 IonicContact OE1-NE 3.81Å; E560-R601 PolarHBondContact OE1-NE 3.22Å; E560-R601 IonicContact OE1-NH2 2.77Å; E560-R601 PolarHBondContact OE1-NH2 3.49Å; E560-R601 VanDerWaalsContact OE1-NH2 3.1Å; E560-R601 IonicContact OE2-CZ 3.18Å; E560-R601 IonicContact OE2-NE 3.66Å; E560-R601 IonicContact OE2-NH2 3.56Å; E560-R601 PolarHBondContact OE2-NH2 2.81Å; E560-S602 PolarHBondContact OE1-OG 2.88Å; E560-S602 PolarHBondContact OE2-OG 3.38Å |
| 561 | M | 94.9 | Very high | 90.3 | Very high | 4 Ų | 4 | 15.4 Ų | 15.4 | 2% | 0.02 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -72.3 | -28.2 | -175.3 | -151.4 | 58.5 | 151.6 | 0 | 0 | 113.2 | N142 F527 Y539 G557 Q559 L564 S565 | N142-M561 HydrophobicContact CB-CE 4.21Å; F527-M561 HydrophobicContact CB-CE 4.04Å; F527-M561 HydrophobicContact CD1-CE 3.2Å; F527-M561 HydrophobicContact CD1-SD 4.29Å; F527-M561 HydrophobicContact CD2-CE 3.76Å; F527-M561 HydrophobicContact CD2-CG 4.17Å; F527-M561 HydrophobicContact CD2-SD 4Å; F527-M561 HydrophobicContact CE1-CE 3.38Å; F527-M561 HydrophobicContact CE1-SD 4.05Å; F527-M561 HydrophobicContact CE2-CE 3.91Å; F527-M561 HydrophobicContact CE2-CG 4.33Å; F527-M561 HydrophobicContact CE2-SD 3.73Å; F527-M561 HydrophobicContact CG-CE 3.4Å; F527-M561 HydrophobicContact CG-SD 4.26Å; F527-M561 HydrophobicContact CZ-CE 3.72Å; F527-M561 HydrophobicContact CZ-SD 3.75Å; Y539-M561 HydrophobicContact CD1-CB 4.21Å; Y539-M561 HydrophobicContact CD2-CB 4.02Å; Y539-M561 HydrophobicContact CD2-CG 4.07Å; Y539-M561 HydrophobicContact CE1-CB 3.89Å; Y539-M561 HydrophobicContact CE1-CG 3.9Å; Y539-M561 HydrophobicContact CE2-CB 3.7Å; Y539-M561 HydrophobicContact CE2-CG 3.27Å; Y539-M561 HydrophobicContact CG-CB 4.3Å; Y539-M561 WeakPolarHBondContact OH-CG 2.9Å; G557-M561 WeakPolarHBondContact O-CB 3.3Å; G557-M561 PolarHBondContact O-N 2.92Å; Q559-M561 PolarHBondContact O-N 3.31Å; M561-L564 HydrophobicContact SD-CB 4.48Å; M561-L564 HydrophobicContact SD-CD1 4.03Å; M561-S565 WeakPolarHBondContact O-CB 3.28Å; M561-S565 PolarHBondContact O-N 3.24Å; M561-S565 PolarHBondContact O-OG 3.11Å |
| 562 | S | 93.7 | Very high | 89.3 | Confident | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -64.2 | -41.4 | 171.6 | 74.4 | 0 | 0 | 0 | 0 | 112 | Y536 A558 Q559 E560 S565 V566 | Y536-S562 WeakPolarHBondContact CD2-O 3.49Å; A558-S562 VanDerWaalsContact O-CB 3.24Å; A558-S562 WeakPolarHBondContact O-CB 3.27Å; A558-S562 PolarHBondContact O-N 2.85Å; A558-S562 PolarHBondContact O-OG 3.46Å; Q559-S562 PolarHBondContact O-N 3.28Å; Q559-S562 PolarHBondContact O-OG 3.27Å; E560-S562 PolarHBondContact O-N 3.03Å; S562-S565 PolarHBondContact O-N 3.21Å; S562-V566 PolarHBondContact O-N 3.45Å |
| 563 | A | 93.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -67.4 | -43.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q559 E560 S565 V566 Y567 Y577 P578 L581 M582 | Q559-A563 PolarHBondContact O-N 3.01Å; Q559-A563 VanDerWaalsContact O-N 3.09Å; E560-A563 PolarHBondContact O-N 3.3Å; A563-S565 VanDerWaalsContact C-N 3.33Å; A563-S565 PolarHBondContact O-N 2.96Å; A563-V566 PolarHBondContact O-N 3.21Å; A563-Y567 PolarHBondContact O-N 2.8Å; A563-Y577 HydrophobicContact CB-CE2 4.28Å; A563-Y577 WeakPolarHBondContact O-CE2 3.27Å; A563-P578 HydrophobicContact CB-CG 4.47Å; A563-L581 HydrophobicContact CB-CB 4.21Å; A563-M582 HydrophobicContact CB-CB 4.36Å; A563-M582 HydrophobicContact CB-CE 4.13Å |
| 564 | L | 93.9 | Very high | 87.7 | Confident | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63.2 | -38 | 176.4 | -64.8 | 178.5 | 0 | 0 | 0 | 112.6 | I12 F16 F527 E560 M561 V566 Y567 L568 M582 L605 | I12-L564 HydrophobicContact CD1-CD2 4.01Å; F16-L564 HydrophobicContact CE2-CD1 3.97Å; F16-L564 HydrophobicContact CZ-CD1 4.47Å; F527-L564 HydrophobicContact CE2-CB 4.02Å; F527-L564 HydrophobicContact CZ-CB 4.15Å; E560-L564 HydrophobicContact CG-CD1 4.35Å; E560-L564 WeakPolarHBondContact O-CG 3.49Å; E560-L564 PolarHBondContact O-N 3.5Å; E560-L564 VanDerWaalsContact O-N 3.11Å; M561-L564 HydrophobicContact SD-CB 4.48Å; M561-L564 HydrophobicContact SD-CD1 4.03Å; L564-V566 VanDerWaalsContact C-N 3.34Å; L564-V566 PolarHBondContact O-N 2.95Å; L564-Y567 WeakPolarHBondContact O-CB 3.41Å; L564-Y567 PolarHBondContact O-N 3.12Å; L564-L568 WeakPolarHBondContact O-CG 3.22Å; L564-L568 PolarHBondContact O-N 2.96Å; L564-M582 HydrophobicContact CD2-CE 3.87Å; L564-M582 HydrophobicContact CG-CE 3.88Å; L564-L605 HydrophobicContact CD1-CD1 3.93Å; L564-L605 HydrophobicContact CD2-CB 4.11Å |
| 565 | S | 93.3 | Very high | 87.3 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.5 | -43.9 | 176.2 | -59.8 | 0 | 0 | 0 | 0 | 111.2 | F527 M561 S562 A563 Q569 | F527-S565 WeakPolarHBondContact CD2-OG 3.48Å; M561-S565 WeakPolarHBondContact O-CB 3.28Å; M561-S565 PolarHBondContact O-N 3.24Å; M561-S565 PolarHBondContact O-OG 3.11Å; S562-S565 PolarHBondContact O-N 3.21Å; A563-S565 VanDerWaalsContact C-N 3.33Å; A563-S565 PolarHBondContact O-N 2.96Å; S565-Q569 WeakPolarHBondContact O-CG 3.3Å; S565-Q569 PolarHBondContact O-N 3.21Å |
| 566 | V | 92.1 | Very high | 86.9 | Confident | 2 Ų | 2 | 36.1 Ų | 36.1 | 1% | 0.012 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -66.4 | -39 | 175.3 | 179 | 0 | 0 | 0 | 0 | 111.5 | Y536 S562 A563 L564 Q569 R575 P578 | Y536-V566 HydrophobicContact CD2-CG2 3.38Å; Y536-V566 HydrophobicContact CE1-CG2 4.43Å; Y536-V566 HydrophobicContact CE2-CG2 3.21Å; Y536-V566 HydrophobicContact CG-CG2 4.05Å; S562-V566 PolarHBondContact O-N 3.45Å; A563-V566 PolarHBondContact O-N 3.21Å; L564-V566 VanDerWaalsContact C-N 3.34Å; L564-V566 PolarHBondContact O-N 2.95Å; V566-Q569 PolarHBondContact O-N 3.15Å; V566-R575 HydrophobicContact CG1-CB 3.86Å; V566-P578 HydrophobicContact CB-CG 4.23Å; V566-P578 HydrophobicContact CG1-CG 4.42Å; V566-P578 HydrophobicContact CG2-CG 4.24Å |
| 567 | Y | 92.5 | Very high | 86.8 | Confident | 2 Ų | 2 | 36.5 Ų | 36.5 | 1% | 0.008 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58.8 | -49.6 | 177.5 | 175.8 | -112.2 | 0 | 0 | 0 | 112.5 | E9 I12 A563 L564 Q569 G570 Y577 A609 S612 | E9-Y567 HydrophobicContact CG-CE1 3.94Å; I12-Y567 HydrophobicContact CD1-CD1 3.62Å; I12-Y567 HydrophobicContact CD1-CE1 3.47Å; I12-Y567 VanDerWaalsContact CD1-CE1 3.47Å; A563-Y567 PolarHBondContact O-N 2.8Å; L564-Y567 WeakPolarHBondContact O-CB 3.41Å; L564-Y567 PolarHBondContact O-N 3.12Å; Y567-Q569 VanDerWaalsContact C-N 3.27Å; Y567-Q569 PolarHBondContact O-N 3.01Å; Y567-G570 PolarHBondContact O-N 3.03Å; Y567-Y577 HydrophobicContact CD2-CD2 4.21Å; Y567-Y577 HydrophobicContact CD2-CE2 4.49Å; Y567-Y577 HydrophobicContact CG-CD2 4.37Å; Y567-Y577 HydrophobicContact CG-CE2 4.36Å; Y567-A609 HydrophobicContact CD1-CB 4.23Å; Y567-A609 HydrophobicContact CD2-CB 3.61Å; Y567-A609 HydrophobicContact CE1-CB 4.3Å; Y567-A609 HydrophobicContact CE2-CB 3.7Å; Y567-A609 HydrophobicContact CG-CB 3.88Å; Y567-S612 WeakPolarHBondContact CE2-OG 3.36Å; Y567-S612 WeakPolarHBondContact OH-CB 3.4Å; Y567-S612 PolarHBondContact OH-OG 3.36Å |
| 568 | L | 91.8 | Very high | 86.6 | Confident | 14 Ų | 14 | 37.3 Ų | 37.3 | 7% | 0.073 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -73.5 | -13.4 | -176.2 | -68.4 | 174.2 | 0 | 0 | 0 | 114.3 | E9 I12 F527 Y532 L564 G570 | E9-L568 HydrophobicContact CB-CD2 4.14Å; E9-L568 HydrophobicContact CG-CD2 4.32Å; I12-L568 HydrophobicContact CB-CD2 4.19Å; I12-L568 HydrophobicContact CG2-CD1 3.89Å; I12-L568 HydrophobicContact CG2-CD2 4.18Å; I12-L568 HydrophobicContact CG2-CG 4.35Å; F527-L568 HydrophobicContact CE1-CD1 4.12Å; F527-L568 HydrophobicContact CE2-CD1 3.76Å; F527-L568 HydrophobicContact CZ-CD1 3.37Å; Y532-L568 HydrophobicContact CD1-CB 4Å; Y532-L568 HydrophobicContact CD1-CD1 4.05Å; Y532-L568 HydrophobicContact CD2-CB 3.73Å; Y532-L568 HydrophobicContact CE1-CB 3.88Å; Y532-L568 HydrophobicContact CE1-CD1 3.42Å; Y532-L568 VanDerWaalsContact CE1-CD1 3.42Å; Y532-L568 HydrophobicContact CE1-CG 4.3Å; Y532-L568 HydrophobicContact CE2-CB 3.6Å; Y532-L568 HydrophobicContact CE2-CD1 4.44Å; Y532-L568 HydrophobicContact CG-CB 3.93Å; L564-L568 WeakPolarHBondContact O-CG 3.22Å; L564-L568 PolarHBondContact O-N 2.96Å; L568-G570 PolarHBondContact O-N 3.13Å |
| 569 | Q | 89.7 | Confident | 86.4 | Confident | 22 Ų | 22 | 41.6 Ų | 41.6 | 10% | 0.103 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -14.7 | 166.5 | -68.9 | 172 | 11.2 | 0 | 0 | 112.2 | Y532 E533 S565 V566 Y567 A571 T572 | Y532-Q569 PolarHBondContact O-NE2 3.27Å; E533-Q569 PolarHBondContact OE2-NE2 3.11Å; E533-Q569 PolarHBondContact OE2-OE1 3.5Å; S565-Q569 WeakPolarHBondContact O-CG 3.3Å; S565-Q569 PolarHBondContact O-N 3.21Å; V566-Q569 PolarHBondContact O-N 3.15Å; Y567-Q569 VanDerWaalsContact C-N 3.27Å; Y567-Q569 PolarHBondContact O-N 3.01Å; Q569-A571 PolarHBondContact O-N 3.2Å; Q569-T572 VanDerWaalsContact O-CB 3.28Å; Q569-T572 WeakPolarHBondContact O-CB 3.19Å; Q569-T572 PolarHBondContact O-N 3.38Å |
| 570 | G | 79.8 | Confident | 86.2 | Confident | 8 Ų | 8 | 46 Ų | 46 | 8% | 0.082 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | 55.3 | -134.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y567 L568 T572 S573 | Y567-G570 PolarHBondContact O-N 3.03Å; L568-G570 PolarHBondContact O-N 3.13Å; G570-T572 PolarHBondContact O-N 3.05Å; G570-S573 PolarHBondContact O-N 3.42Å; G570-S573 PolarHBondContact O-OG 2.87Å; G570-S573 VanDerWaalsContact O-OG 3.13Å |
| 571 | A | 67.3 | Low | 86.1 | Confident | 105 Ų | 105 | 46.6 Ų | 46.6 | 87% | 0.868 | 24% | 0.244 | S | C | * | . | G | 310 helix | trans | -72.5 | -12.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q569 S573 | Q569-A571 PolarHBondContact O-N 3.2Å; A571-S573 VanDerWaalsContact C-N 3.28Å |
| 572 | T | 65.5 | Low | 86 | Confident | 135 Ų | 135 | 46.4 Ų | 46.4 | 83% | 0.828 | 24% | 0.243 | S | C | * | . | G | 310 helix | trans | -73.3 | -25.4 | 176.8 | -48.5 | 0 | 0 | 0 | 0 | 111.3 | Q569 G570 | Q569-T572 VanDerWaalsContact O-CB 3.28Å; Q569-T572 WeakPolarHBondContact O-CB 3.19Å; Q569-T572 PolarHBondContact O-N 3.38Å; G570-T572 PolarHBondContact O-N 3.05Å |
| 573 | S | 73 | Confident | 86 | Confident | 18 Ų | 18 | 48.5 Ų | 48.5 | 13% | 0.126 | 25% | 0.254 | C | S | . | . | trans | -82.9 | 136.2 | 174.1 | 77.2 | 0 | 0 | 0 | 0 | 111.7 | G570 A571 R575 | G570-S573 PolarHBondContact O-N 3.42Å; G570-S573 PolarHBondContact O-OG 2.87Å; G570-S573 VanDerWaalsContact O-OG 3.13Å; A571-S573 VanDerWaalsContact C-N 3.28Å; S573-R575 PolarHBondContact OG-O 3.09Å | ||
| 574 | Q | 69.9 | Low | 85.8 | Confident | 179 Ų | 179 | 50.8 Ų | 50.8 | 84% | 0.836 | 27% | 0.27 | S | S | * | . | trans | -79.8 | -2.8 | 163.5 | -63.2 | -65.9 | -18.6 | 0 | 0 | 111.8 | ||||
| 575 | R | 81.2 | Confident | 85.7 | Confident | 94 Ų | 94 | 50.8 Ų | 50.8 | 36% | 0.355 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -87.6 | 130.9 | -174 | -60 | -176.7 | -170.1 | 115.8 | -5 | 109.6 | E533 V566 S573 | E533-R575 IonicContact OE1-CZ 3.02Å; E533-R575 IonicContact OE1-NH1 2.69Å; E533-R575 PolarHBondContact OE1-NH1 2.9Å; E533-R575 IonicContact OE1-NH2 3.86Å; E533-R575 PolarHBondContact OE1-NH2 3.29Å; E533-R575 IonicContact OE2-CZ 3.91Å; E533-R575 IonicContact OE2-NH1 3.4Å; E533-R575 PolarHBondContact OE2-NH1 3.28Å; E533-R575 IonicContact OE2-NH2 2.89Å; V566-R575 HydrophobicContact CG1-CB 3.86Å; S573-R575 PolarHBondContact OG-O 3.09Å |
| 576 | Q | 83.9 | Confident | 85.7 | Confident | 157 Ų | 157 | 51.4 Ų | 51.4 | 73% | 0.734 | 27% | 0.274 | S | S | * | . | P | Polyproline II helix | trans | -67.1 | 145.4 | 168.2 | -171.9 | 174 | 3 | 0 | 0 | 110 | P578 | Q576-P578 VanDerWaalsContact O-CD 3.28Å; Q576-P578 WeakPolarHBondContact O-CD 3.4Å; Q576-P578 VanDerWaalsContact O-N 3.17Å |
| 577 | Y | 89.8 | Confident | 85.6 | Confident | 9 Ų | 9 | 53.9 Ų | 53.9 | 4% | 0.035 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -58.1 | 117.1 | 178.1 | 176.2 | -116.3 | 0 | 0 | 0 | 111.2 | A563 Y567 Y579 N606 A609 L610 | A563-Y577 HydrophobicContact CB-CE2 4.28Å; A563-Y577 WeakPolarHBondContact O-CE2 3.27Å; Y567-Y577 HydrophobicContact CD2-CD2 4.21Å; Y567-Y577 HydrophobicContact CD2-CE2 4.49Å; Y567-Y577 HydrophobicContact CG-CD2 4.37Å; Y567-Y577 HydrophobicContact CG-CE2 4.36Å; Y577-Y579 VanDerWaalsContact C-N 3.34Å; Y577-Y579 PolarHBondContact O-N 2.73Å; Y577-N606 WeakPolarHBondContact CE1-OD1 3.31Å; Y577-N606 PolarHBondContact OH-OD1 3.46Å; Y577-N606 VanDerWaalsContact OH-OD1 3.05Å; Y577-A609 HydrophobicContact CD1-CB 4.35Å; Y577-A609 HydrophobicContact CE1-CB 3.73Å; Y577-A609 HydrophobicContact CE2-CB 3.97Å; Y577-L610 HydrophobicContact CD1-CD2 4.27Å; Y577-L610 HydrophobicContact CE1-CD2 4.19Å; Y577-L610 HydrophobicContact CE1-CG 4.28Å |
| 578 | P | 89.4 | Confident | 85.5 | Confident | 17 Ų | 17 | 54.7 Ų | 54.7 | 11% | 0.11 | 30% | 0.299 | C | S | . | . | trans | -86.1 | 70.6 | -172.5 | 35.2 | -36.3 | 0 | 0 | 0 | 111.5 | A563 V566 Q576 H580 L581 | A563-P578 HydrophobicContact CB-CG 4.47Å; V566-P578 HydrophobicContact CB-CG 4.23Å; V566-P578 HydrophobicContact CG1-CG 4.42Å; V566-P578 HydrophobicContact CG2-CG 4.24Å; Q576-P578 VanDerWaalsContact O-CD 3.28Å; Q576-P578 WeakPolarHBondContact O-CD 3.4Å; Q576-P578 VanDerWaalsContact O-N 3.17Å; P578-H580 PolarHBondContact O-N 3.37Å; P578-H580 VanDerWaalsContact O-N 3.14Å; P578-L581 HydrophobicContact CB-CD1 3.93Å; P578-L581 HydrophobicContact CB-CG 4.2Å; P578-L581 HydrophobicContact CG-CD1 3.88Å; P578-L581 WeakPolarHBondContact O-CB 3.2Å; P578-L581 PolarHBondContact O-N 3.18Å; P578-L581 VanDerWaalsContact O-N 3.09Å | ||
| 579 | Y | 89.7 | Confident | 85.4 | Confident | 89 Ų | 89 | 54 Ų | 54 | 35% | 0.349 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60.3 | -25 | -177 | 66.9 | -93 | 0 | 0 | 0 | 114 | Y577 L581 M582 D583 L610 | Y577-Y579 VanDerWaalsContact C-N 3.34Å; Y577-Y579 PolarHBondContact O-N 2.73Å; Y579-L581 PolarHBondContact O-N 3.07Å; Y579-M582 WeakPolarHBondContact O-CA 3.3Å; Y579-M582 WeakPolarHBondContact O-CB 3.41Å; Y579-M582 PolarHBondContact O-N 3.39Å; Y579-D583 PolarHBondContact O-N 2.95Å; Y579-L610 HydrophobicContact CD1-CD2 4.4Å; Y579-L610 HydrophobicContact CG-CD2 4.18Å |
| 580 | H | 90.7 | Very high | 85.3 | Confident | 107 Ų | 107 | 56.6 Ų | 56.6 | 50% | 0.495 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -59.7 | -30.6 | 175.1 | 68.8 | -84.7 | 0 | 0 | 0 | 113.3 | P578 M582 S584 | P578-H580 PolarHBondContact O-N 3.37Å; P578-H580 VanDerWaalsContact O-N 3.14Å; H580-M582 VanDerWaalsContact C-N 3.32Å; H580-S584 WeakPolarHBondContact O-CB 3.25Å; H580-S584 PolarHBondContact O-N 3.49Å; H580-S584 PolarHBondContact O-OG 3.46Å |
| 581 | L | 92.7 | Very high | 85.3 | Confident | 17 Ų | 17 | 63.8 Ų | 63.8 | 9% | 0.089 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -68.2 | -37.7 | 174.6 | -65.5 | 178.6 | 0 | 0 | 0 | 110.7 | A563 P578 Y579 S584 A585 | A563-L581 HydrophobicContact CB-CB 4.21Å; P578-L581 HydrophobicContact CB-CD1 3.93Å; P578-L581 HydrophobicContact CB-CG 4.2Å; P578-L581 HydrophobicContact CG-CD1 3.88Å; P578-L581 WeakPolarHBondContact O-CB 3.2Å; P578-L581 PolarHBondContact O-N 3.18Å; P578-L581 VanDerWaalsContact O-N 3.09Å; Y579-L581 PolarHBondContact O-N 3.07Å; L581-S584 PolarHBondContact O-N 3.13Å; L581-A585 WeakPolarHBondContact O-CB 3.5Å; L581-A585 PolarHBondContact O-N 2.91Å |
| 582 | M | 93.1 | Very high | 85.3 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -71.6 | -41.7 | 178 | -168.2 | 58.5 | 83.7 | 0 | 0 | 111.4 | E560 A563 L564 Y579 H580 S584 A585 V586 N606 | E560-M582 HydrophobicContact CB-CE 4.5Å; E560-M582 HydrophobicContact CB-SD 4.24Å; E560-M582 HydrophobicContact CG-CE 3.93Å; E560-M582 HydrophobicContact CG-SD 3.92Å; A563-M582 HydrophobicContact CB-CB 4.36Å; A563-M582 HydrophobicContact CB-CE 4.13Å; L564-M582 HydrophobicContact CD2-CE 3.87Å; L564-M582 HydrophobicContact CG-CE 3.88Å; Y579-M582 WeakPolarHBondContact O-CA 3.3Å; Y579-M582 WeakPolarHBondContact O-CB 3.41Å; Y579-M582 PolarHBondContact O-N 3.39Å; H580-M582 VanDerWaalsContact C-N 3.32Å; M582-S584 VanDerWaalsContact C-N 3.31Å; M582-S584 PolarHBondContact O-N 3.31Å; M582-A585 WeakPolarHBondContact O-CB 3.35Å; M582-A585 PolarHBondContact O-N 2.93Å; M582-V586 VanDerWaalsContact O-CG2 3.32Å; M582-V586 WeakPolarHBondContact O-CG2 3.22Å; M582-V586 PolarHBondContact O-N 2.71Å; M582-N606 HydrophobicContact CB-CB 4.37Å; M582-N606 HydrophobicContact CG-CB 3.41Å; M582-N606 VanDerWaalsContact CG-CB 3.41Å |
| 583 | D | 92 | Very high | 84.8 | Confident | 44 Ų | 44 | 62 Ų | 62 | 24% | 0.235 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.1 | -41.3 | 172.4 | -86.5 | 18 | 0 | 0 | 0 | 111.9 | Y579 V586 A587 N606 R625 | Y579-D583 PolarHBondContact O-N 2.95Å; D583-V586 PolarHBondContact O-N 2.89Å; D583-A587 WeakPolarHBondContact O-CB 3.46Å; D583-A587 PolarHBondContact O-N 3.5Å; D583-N606 PolarHBondContact OD1-ND2 3.48Å; D583-R625 IonicContact OD2-NH1 2.76Å; D583-R625 PolarHBondContact OD2-NH1 2.95Å |
| 584 | S | 90.6 | Very high | 84.2 | Confident | 48 Ų | 48 | 65.7 Ų | 65.7 | 34% | 0.336 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -64.8 | -39.6 | 175.2 | -57.7 | 0 | 0 | 0 | 0 | 111.8 | Q559 H580 L581 M582 A587 T588 | Q559-S584 VanDerWaalsContact OE1-C 3.27Å; Q559-S584 VanDerWaalsContact OE1-CB 3.31Å; H580-S584 WeakPolarHBondContact O-CB 3.25Å; H580-S584 PolarHBondContact O-N 3.49Å; H580-S584 PolarHBondContact O-OG 3.46Å; L581-S584 PolarHBondContact O-N 3.13Å; M582-S584 VanDerWaalsContact C-N 3.31Å; M582-S584 PolarHBondContact O-N 3.31Å; S584-A587 PolarHBondContact O-N 3.49Å; S584-T588 WeakPolarHBondContact O-CB 3.38Å; S584-T588 PolarHBondContact O-N 3.47Å; S584-T588 PolarHBondContact O-OG1 2.88Å |
| 585 | A | 92.6 | Very high | 84.4 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.7 | -48.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | A556 Q559 E560 L581 M582 A587 T588 Y589 | A556-A585 WeakPolarHBondContact O-CB 3.32Å; Q559-A585 HydrophobicContact CB-CB 3.88Å; Q559-A585 VanDerWaalsContact OE1-N 3.1Å; E560-A585 HydrophobicContact CB-CB 4.25Å; L581-A585 WeakPolarHBondContact O-CB 3.5Å; L581-A585 PolarHBondContact O-N 2.91Å; M582-A585 WeakPolarHBondContact O-CB 3.35Å; M582-A585 PolarHBondContact O-N 2.93Å; A585-A587 PolarHBondContact O-N 3.35Å; A585-T588 PolarHBondContact O-N 3.39Å; A585-Y589 HydrophobicContact CB-CE2 4.44Å; A585-Y589 WeakPolarHBondContact O-CD2 3.43Å; A585-Y589 PolarHBondContact O-N 3.1Å |
| 586 | V | 91.5 | Very high | 84.5 | Confident | 13 Ų | 13 | 57.5 Ų | 57.5 | 8% | 0.079 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -58.7 | -47.2 | 176.6 | 172.4 | 0 | 0 | 0 | 0 | 110.9 | M582 D583 T588 Y589 L590 A599 T603 L626 | M582-V586 VanDerWaalsContact O-CG2 3.32Å; M582-V586 WeakPolarHBondContact O-CG2 3.22Å; M582-V586 PolarHBondContact O-N 2.71Å; D583-V586 PolarHBondContact O-N 2.89Å; V586-T588 VanDerWaalsContact C-N 3.32Å; V586-T588 PolarHBondContact O-N 2.79Å; V586-Y589 PolarHBondContact O-N 3.11Å; V586-L590 HydrophobicContact CG1-CD1 4.12Å; V586-L590 WeakPolarHBondContact O-CG 3.49Å; V586-L590 PolarHBondContact O-N 3.32Å; V586-A599 HydrophobicContact CG1-CB 4.37Å; V586-T603 WeakPolarHBondContact CG2-OG1 3.48Å; V586-L626 HydrophobicContact CG1-CD2 4.45Å |
| 587 | A | 90.9 | Very high | 84.6 | Confident | 53 Ų | 53 | 52.9 Ų | 52.9 | 44% | 0.438 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -60.3 | -42.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | D583 S584 A585 L590 Q591 | D583-A587 WeakPolarHBondContact O-CB 3.46Å; D583-A587 PolarHBondContact O-N 3.5Å; S584-A587 PolarHBondContact O-N 3.49Å; A585-A587 PolarHBondContact O-N 3.35Å; A587-L590 PolarHBondContact O-N 3.47Å; A587-Q591 VanDerWaalsContact O-CB 3.3Å; A587-Q591 WeakPolarHBondContact O-CB 3.28Å; A587-Q591 PolarHBondContact O-N 3.45Å |
| 588 | T | 89.9 | Confident | 84.5 | Confident | 19 Ų | 19 | 52.5 Ų | 52.5 | 12% | 0.117 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -67.1 | -38.1 | 177.6 | -53.1 | 0 | 0 | 0 | 0 | 112 | W552 A556 S584 A585 V586 S592 | W552-T588 HydrophobicContact CB-CG2 3.92Å; W552-T588 HydrophobicContact CE3-CG2 4.22Å; A556-T588 HydrophobicContact CB-CG2 3.9Å; S584-T588 WeakPolarHBondContact O-CB 3.38Å; S584-T588 PolarHBondContact O-N 3.47Å; S584-T588 PolarHBondContact O-OG1 2.88Å; A585-T588 PolarHBondContact O-N 3.39Å; V586-T588 VanDerWaalsContact C-N 3.32Å; V586-T588 PolarHBondContact O-N 2.79Å; T588-S592 VanDerWaalsContact O-CB 3.26Å; T588-S592 WeakPolarHBondContact O-CB 3.49Å; T588-S592 PolarHBondContact O-N 3.04Å; T588-S592 PolarHBondContact O-OG 3.21Å |
| 589 | Y | 90.1 | Very high | 84.6 | Confident | 1 Ų | 1 | 51.7 Ų | 51.7 | 0% | 0.004 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.9 | -37 | 174.4 | -74.7 | -51.9 | 0 | 0 | 0 | 112.6 | H139 L553 A556 G557 E560 A585 V586 S592 L598 S602 | H139-Y589 PolarHBondContact NE2-OH 2.99Å; L553-Y589 HydrophobicContact CD1-CD1 4.04Å; L553-Y589 HydrophobicContact CD1-CE1 3.84Å; A556-Y589 HydrophobicContact CB-CD1 3.8Å; A556-Y589 HydrophobicContact CB-CD2 4.18Å; A556-Y589 HydrophobicContact CB-CE1 3.6Å; A556-Y589 HydrophobicContact CB-CE2 4.01Å; A556-Y589 HydrophobicContact CB-CG 4.1Å; G557-Y589 WeakPolarHBondContact CA-OH 3.42Å; G557-Y589 PolarHBondContact N-OH 3.42Å; E560-Y589 PolarHBondContact OE2-OH 3.33Å; A585-Y589 HydrophobicContact CB-CE2 4.44Å; A585-Y589 WeakPolarHBondContact O-CD2 3.43Å; A585-Y589 PolarHBondContact O-N 3.1Å; V586-Y589 PolarHBondContact O-N 3.11Å; Y589-S592 PolarHBondContact O-OG 2.89Å; Y589-L598 HydrophobicContact CD1-CB 3.92Å; Y589-L598 HydrophobicContact CD1-CD1 4.09Å; Y589-L598 HydrophobicContact CD2-CB 4.21Å; Y589-L598 HydrophobicContact CE1-CB 3.9Å; Y589-L598 HydrophobicContact CE1-CD1 3.57Å; Y589-L598 HydrophobicContact CE1-CG 4.39Å; Y589-L598 HydrophobicContact CE2-CB 4.19Å; Y589-L598 HydrophobicContact CG-CB 4.07Å; Y589-S602 VanDerWaalsContact CE2-OG 3.25Å; Y589-S602 WeakPolarHBondContact CE2-OG 3.34Å |
| 590 | L | 86.8 | Confident | 84.6 | Confident | 75 Ų | 75 | 48.1 Ų | 48.1 | 39% | 0.393 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -73.9 | -42.2 | 176.5 | -68.5 | 174.7 | 0 | 0 | 0 | 112.1 | V586 A587 S592 H593 A599 L626 | V586-L590 HydrophobicContact CG1-CD1 4.12Å; V586-L590 WeakPolarHBondContact O-CG 3.49Å; V586-L590 PolarHBondContact O-N 3.32Å; A587-L590 PolarHBondContact O-N 3.47Å; L590-S592 VanDerWaalsContact C-N 3.33Å; L590-S592 PolarHBondContact O-N 3.12Å; L590-H593 PolarHBondContact O-N 2.68Å; L590-A599 HydrophobicContact CD2-CB 3.68Å; L590-A599 HydrophobicContact CG-CB 3.86Å; L590-L626 HydrophobicContact CD1-CD2 3.91Å; L590-L626 HydrophobicContact CD2-CD2 4.12Å; L590-L626 HydrophobicContact CG-CD2 4.47Å |
| 591 | Q | 81.5 | Confident | 84.7 | Confident | 160 Ų | 160 | 43.3 Ų | 43.3 | 75% | 0.748 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -68 | -33.4 | 179.4 | -175.4 | 176.3 | 6.9 | 0 | 0 | 112.1 | A587 H593 | A587-Q591 VanDerWaalsContact O-CB 3.3Å; A587-Q591 WeakPolarHBondContact O-CB 3.28Å; A587-Q591 PolarHBondContact O-N 3.45Å; Q591-H593 PolarHBondContact O-N 2.86Å |
| 592 | S | 67.4 | Low | 84.7 | Confident | 26 Ų | 26 | 42.5 Ų | 42.5 | 18% | 0.182 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -7.4 | -178.5 | 62 | 0 | 0 | 0 | 0 | 113.3 | T588 Y589 L590 L594 | T588-S592 VanDerWaalsContact O-CB 3.26Å; T588-S592 WeakPolarHBondContact O-CB 3.49Å; T588-S592 PolarHBondContact O-N 3.04Å; T588-S592 PolarHBondContact O-OG 3.21Å; Y589-S592 PolarHBondContact O-OG 2.89Å; L590-S592 VanDerWaalsContact C-N 3.33Å; L590-S592 PolarHBondContact O-N 3.12Å; S592-L594 WeakPolarHBondContact O-CD1 3.45Å; S592-L594 PolarHBondContact O-N 3.15Å |
| 593 | H | 53.9 | Low | 84.7 | Confident | 176 Ų | 176 | 42.7 Ų | 42.7 | 82% | 0.815 | 23% | 0.234 | S | C | * | . | trans | 52.3 | 4.9 | -172.9 | -65.8 | -63.5 | 0 | 0 | 0 | 115 | L590 Q591 | L590-H593 PolarHBondContact O-N 2.68Å; Q591-H593 PolarHBondContact O-N 2.86Å | ||
| 594 | L | 61.4 | Low | 84.7 | Confident | 96 Ų | 96 | 40.6 Ų | 40.6 | 50% | 0.503 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -84.2 | -24.9 | -169.2 | -103 | 75.3 | 0 | 0 | 0 | 112.8 | L553 S592 | L553-L594 HydrophobicContact CD2-CD2 4.19Å; S592-L594 WeakPolarHBondContact O-CD1 3.45Å; S592-L594 PolarHBondContact O-N 3.15Å |
| 595 | S | 74 | Confident | 84.8 | Confident | 7 Ų | 7 | 38.3 Ų | 38.3 | 5% | 0.049 | 21% | 0.206 | C | C | . | . | trans | -170.6 | 91.2 | -174.4 | 54.7 | 0 | 0 | 0 | 0 | 114.5 | E597 L598 | S595-E597 PolarHBondContact O-N 3.42Å; S595-L598 PolarHBondContact O-N 2.89Å; S595-L598 WeakPolarHBondContact OG-CD1 3.49Å | ||
| 596 | P | 82.4 | Confident | 84.8 | Confident | 93 Ų | 93 | 38.3 Ų | 38.3 | 60% | 0.604 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -62.5 | -24.9 | 171.7 | 26.3 | -34.3 | 0 | 0 | 0 | 112.6 | L598 A599 L600 | P596-L598 VanDerWaalsContact C-N 3.33Å; P596-L598 PolarHBondContact O-N 2.99Å; P596-A599 PolarHBondContact O-N 2.87Å; P596-L600 PolarHBondContact O-N 2.97Å |
| 597 | E | 85.9 | Confident | 84.8 | Confident | 61 Ų | 61 | 37.7 Ų | 37.7 | 29% | 0.285 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -59.6 | -39.9 | 175.4 | -64 | 176 | -171.9 | 0 | 0 | 112.1 | K82 F130 L134 S595 L600 R601 | K82-E597 IonicContact NZ-OE1 2.72Å; K82-E597 PolarHBondContact NZ-OE1 2.98Å; K82-E597 VanDerWaalsContact NZ-OE1 3.09Å; K82-E597 IonicContact NZ-OE2 2.79Å; F130-E597 HydrophobicContact CZ-CB 4.4Å; F130-E597 WeakPolarHBondContact CZ-O 3.41Å; L134-E597 HydrophobicContact CD2-CB 3.82Å; L134-E597 HydrophobicContact CD2-CG 4.42Å; S595-E597 PolarHBondContact O-N 3.42Å; E597-L600 PolarHBondContact O-N 3.04Å; E597-R601 PolarHBondContact O-N 3.32Å |
| 598 | L | 88.3 | Confident | 84.7 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -74.3 | -34.9 | 177.5 | -69.5 | -176.5 | 0 | 0 | 0 | 112.9 | F137 H139 L553 Y589 S595 P596 L600 R601 S602 | F137-L598 HydrophobicContact CB-CD1 4.4Å; F137-L598 HydrophobicContact CD1-CD1 4.04Å; F137-L598 HydrophobicContact CD2-CD1 3.76Å; F137-L598 HydrophobicContact CD2-CD2 3.54Å; F137-L598 HydrophobicContact CD2-CG 3.84Å; F137-L598 HydrophobicContact CE1-CD1 4.23Å; F137-L598 HydrophobicContact CE1-CG 4.39Å; F137-L598 HydrophobicContact CE2-CD1 3.97Å; F137-L598 HydrophobicContact CE2-CD2 3.45Å; F137-L598 VanDerWaalsContact CE2-CD2 3.45Å; F137-L598 HydrophobicContact CE2-CG 3.59Å; F137-L598 HydrophobicContact CG-CD1 3.81Å; F137-L598 HydrophobicContact CG-CD2 4.41Å; F137-L598 HydrophobicContact CG-CG 4.36Å; F137-L598 HydrophobicContact CZ-CD1 4.2Å; F137-L598 HydrophobicContact CZ-CD2 4.26Å; F137-L598 HydrophobicContact CZ-CG 3.89Å; H139-L598 VanDerWaalsContact CE1-CD1 3.44Å; H139-L598 WeakPolarHBondContact CE1-CD1 3.21Å; L553-L598 HydrophobicContact CD1-CD1 4.21Å; Y589-L598 HydrophobicContact CD1-CB 3.92Å; Y589-L598 HydrophobicContact CD1-CD1 4.09Å; Y589-L598 HydrophobicContact CD2-CB 4.21Å; Y589-L598 HydrophobicContact CE1-CB 3.9Å; Y589-L598 HydrophobicContact CE1-CD1 3.57Å; Y589-L598 HydrophobicContact CE1-CG 4.39Å; Y589-L598 HydrophobicContact CE2-CB 4.19Å; Y589-L598 HydrophobicContact CG-CB 4.07Å; S595-L598 PolarHBondContact O-N 2.89Å; S595-L598 WeakPolarHBondContact OG-CD1 3.49Å; P596-L598 VanDerWaalsContact C-N 3.33Å; P596-L598 PolarHBondContact O-N 2.99Å; L598-L600 VanDerWaalsContact C-N 3.3Å; L598-R601 PolarHBondContact O-N 3.45Å; L598-S602 VanDerWaalsContact O-CB 3.29Å; L598-S602 WeakPolarHBondContact O-CB 3.49Å; L598-S602 PolarHBondContact O-N 3.42Å; L598-S602 PolarHBondContact O-OG 2.74Å |
| 599 | A | 90.6 | Very high | 84.7 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.2 | -43.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | V586 L590 P596 S602 T603 L626 | V586-A599 HydrophobicContact CG1-CB 4.37Å; L590-A599 HydrophobicContact CD2-CB 3.68Å; L590-A599 HydrophobicContact CG-CB 3.86Å; P596-A599 PolarHBondContact O-N 2.87Å; A599-S602 PolarHBondContact O-N 3.18Å; A599-T603 WeakPolarHBondContact O-CB 2.84Å; A599-T603 PolarHBondContact O-N 3.32Å; A599-T603 PolarHBondContact O-OG1 3.1Å; A599-T603 VanDerWaalsContact O-OG1 3.11Å; A599-L626 HydrophobicContact CB-CD2 4.39Å |
| 600 | L | 91.4 | Very high | 84.8 | Confident | 15 Ų | 15 | 34.8 Ų | 34.8 | 8% | 0.079 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.1 | -45.3 | 175.9 | -176.1 | 58.9 | 0 | 0 | 0 | 112.4 | W126 F130 P596 E597 L598 S602 T603 L604 L626 I634 L638 | W126-L600 HydrophobicContact CH2-CD1 4.44Å; W126-L600 HydrophobicContact CH2-CD2 4.32Å; W126-L600 HydrophobicContact CZ2-CD2 4.21Å; F130-L600 HydrophobicContact CD2-CD2 4.46Å; F130-L600 HydrophobicContact CE1-CB 4.12Å; F130-L600 HydrophobicContact CE1-CD2 3.91Å; F130-L600 HydrophobicContact CE1-CG 3.81Å; F130-L600 HydrophobicContact CE2-CD2 3.86Å; F130-L600 HydrophobicContact CZ-CB 3.93Å; F130-L600 HydrophobicContact CZ-CD2 3.56Å; F130-L600 HydrophobicContact CZ-CG 3.84Å; P596-L600 PolarHBondContact O-N 2.97Å; E597-L600 PolarHBondContact O-N 3.04Å; L598-L600 VanDerWaalsContact C-N 3.3Å; L600-S602 PolarHBondContact O-N 3.21Å; L600-T603 PolarHBondContact O-N 3.44Å; L600-L604 HydrophobicContact CD1-CD1 4.22Å; L600-L604 HydrophobicContact CD1-CG 4.23Å; L600-L604 HydrophobicContact CG-CD1 4.02Å; L600-L604 HydrophobicContact CG-CG 4.48Å; L600-L604 WeakPolarHBondContact O-CB 3.49Å; L600-L604 VanDerWaalsContact O-CG 3.24Å; L600-L604 WeakPolarHBondContact O-CG 3.13Å; L600-L604 PolarHBondContact O-N 3.24Å; L600-L626 HydrophobicContact CB-CD1 4.2Å; L600-L626 HydrophobicContact CD1-CD1 3.79Å; L600-I634 HydrophobicContact CD1-CG2 4.28Å; L600-I634 HydrophobicContact CD2-CD1 4.04Å; L600-I634 HydrophobicContact CD2-CG2 3.93Å; L600-L638 HydrophobicContact CD1-CD1 4.1Å |
| 601 | R | 91.7 | Very high | 84.9 | Confident | 6 Ų | 6 | 31.7 Ų | 31.7 | 2% | 0.023 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -55 | -53.1 | 173.3 | -177.7 | -174.5 | 76.8 | -171.9 | 2.1 | 111.3 | F130 I131 L134 E140 E560 E597 L598 T603 L604 L605 | F130-R601 HydrophobicContact CE1-CB 4.4Å; I131-R601 HydrophobicContact CG1-CG 4.31Å; I131-R601 HydrophobicContact CG2-CG 4.16Å; L134-R601 HydrophobicContact CD1-CB 3.81Å; L134-R601 HydrophobicContact CD1-CG 4Å; E140-R601 VanDerWaalsContact CD-NH1 3.27Å; E140-R601 IonicContact OE1-NH1 3.21Å; E140-R601 PolarHBondContact OE1-NH1 3.47Å; E140-R601 IonicContact OE2-CZ 2.95Å; E140-R601 IonicContact OE2-NH1 3.17Å; E140-R601 PolarHBondContact OE2-NH1 2.96Å; E140-R601 IonicContact OE2-NH2 3.21Å; E140-R601 PolarHBondContact OE2-NH2 2.8Å; E560-R601 VanDerWaalsContact CD-NH2 3.31Å; E560-R601 IonicContact OE1-CZ 3.13Å; E560-R601 IonicContact OE1-NE 3.81Å; E560-R601 PolarHBondContact OE1-NE 3.22Å; E560-R601 IonicContact OE1-NH2 2.77Å; E560-R601 PolarHBondContact OE1-NH2 3.49Å; E560-R601 VanDerWaalsContact OE1-NH2 3.1Å; E560-R601 IonicContact OE2-CZ 3.18Å; E560-R601 IonicContact OE2-NE 3.66Å; E560-R601 IonicContact OE2-NH2 3.56Å; E560-R601 PolarHBondContact OE2-NH2 2.81Å; E597-R601 PolarHBondContact O-N 3.32Å; L598-R601 PolarHBondContact O-N 3.45Å; R601-T603 VanDerWaalsContact C-N 3.3Å; R601-T603 PolarHBondContact O-N 3.42Å; R601-L604 PolarHBondContact O-N 3.47Å; R601-L604 VanDerWaalsContact O-N 3.15Å; R601-L605 HydrophobicContact CG-CD1 3.85Å; R601-L605 HydrophobicContact CG-CG 4.45Å; R601-L605 WeakPolarHBondContact O-CG 3.39Å; R601-L605 PolarHBondContact O-N 3.3Å |
| 602 | S | 92.5 | Very high | 85.1 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -57.6 | -44.9 | -178.3 | -63.1 | 0 | 0 | 0 | 0 | 111.1 | E560 Y589 L598 A599 L600 L605 N606 | E560-S602 PolarHBondContact OE1-OG 2.88Å; E560-S602 PolarHBondContact OE2-OG 3.38Å; Y589-S602 VanDerWaalsContact CE2-OG 3.25Å; Y589-S602 WeakPolarHBondContact CE2-OG 3.34Å; L598-S602 VanDerWaalsContact O-CB 3.29Å; L598-S602 WeakPolarHBondContact O-CB 3.49Å; L598-S602 PolarHBondContact O-N 3.42Å; L598-S602 PolarHBondContact O-OG 2.74Å; A599-S602 PolarHBondContact O-N 3.18Å; L600-S602 PolarHBondContact O-N 3.21Å; S602-L605 PolarHBondContact O-N 3.22Å; S602-N606 WeakPolarHBondContact O-CB 3.35Å; S602-N606 PolarHBondContact O-N 3.12Å |
| 603 | T | 93.1 | Very high | 86 | Confident | 3 Ų | 3 | 30.8 Ų | 30.8 | 2% | 0.018 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -65.5 | -40 | 177 | -68.4 | 0 | 0 | 0 | 0 | 112.7 | V586 A599 L600 R601 L605 N606 F607 A622 L623 L626 | V586-T603 WeakPolarHBondContact CG2-OG1 3.48Å; A599-T603 WeakPolarHBondContact O-CB 2.84Å; A599-T603 PolarHBondContact O-N 3.32Å; A599-T603 PolarHBondContact O-OG1 3.1Å; A599-T603 VanDerWaalsContact O-OG1 3.11Å; L600-T603 PolarHBondContact O-N 3.44Å; R601-T603 VanDerWaalsContact C-N 3.3Å; R601-T603 PolarHBondContact O-N 3.42Å; T603-L605 VanDerWaalsContact C-N 3.33Å; T603-L605 PolarHBondContact O-N 3.23Å; T603-N606 PolarHBondContact O-N 3.32Å; T603-F607 WeakPolarHBondContact O-CB 3.26Å; T603-F607 PolarHBondContact O-N 3.24Å; T603-A622 HydrophobicContact CG2-CB 4.32Å; T603-A622 WeakPolarHBondContact CG2-O 3.15Å; T603-L623 HydrophobicContact CG2-CD2 3.71Å; T603-L626 HydrophobicContact CG2-CD1 3.64Å; T603-L626 HydrophobicContact CG2-CG 4.24Å; T603-L626 VanDerWaalsContact OG1-CD1 3.26Å; T603-L626 WeakPolarHBondContact OG1-CD1 3.43Å |
| 604 | L | 92 | Very high | 87.5 | Confident | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -65.7 | -35.8 | 176.7 | -70.5 | 168.2 | 0 | 0 | 0 | 112.3 | F123 W126 R127 F130 I131 L600 R601 E608 L638 | F123-L604 HydrophobicContact CE2-CD2 4.41Å; F123-L604 HydrophobicContact CZ-CD2 4.04Å; W126-L604 HydrophobicContact CH2-CD1 3.89Å; W126-L604 HydrophobicContact CH2-CD2 4.13Å; W126-L604 HydrophobicContact CZ3-CD1 3.98Å; W126-L604 HydrophobicContact CZ3-CD2 3.76Å; R127-L604 HydrophobicContact CG-CD1 4.27Å; R127-L604 HydrophobicContact CG-CD2 4.44Å; F130-L604 HydrophobicContact CD1-CD1 3.72Å; F130-L604 HydrophobicContact CE1-CD1 4.02Å; I131-L604 HydrophobicContact CD1-CB 4.46Å; L600-L604 HydrophobicContact CD1-CD1 4.22Å; L600-L604 HydrophobicContact CD1-CG 4.23Å; L600-L604 HydrophobicContact CG-CD1 4.02Å; L600-L604 HydrophobicContact CG-CG 4.48Å; L600-L604 WeakPolarHBondContact O-CB 3.49Å; L600-L604 VanDerWaalsContact O-CG 3.24Å; L600-L604 WeakPolarHBondContact O-CG 3.13Å; L600-L604 PolarHBondContact O-N 3.24Å; R601-L604 PolarHBondContact O-N 3.47Å; R601-L604 VanDerWaalsContact O-N 3.15Å; L604-E608 PolarHBondContact O-N 3.43Å; L604-L638 HydrophobicContact CD2-CD2 4.08Å |
| 605 | L | 92.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -73.2 | -42 | 175 | -64.2 | 170.1 | 0 | 0 | 0 | 111.5 | F11 I12 F16 I131 L564 R601 S602 T603 F607 E608 A609 | F11-L605 HydrophobicContact CE1-CD2 4.21Å; I12-L605 HydrophobicContact CD1-CD2 4.48Å; I12-L605 HydrophobicContact CG1-CD2 3.99Å; F16-L605 HydrophobicContact CE2-CD1 3.75Å; F16-L605 HydrophobicContact CE2-CD2 4.2Å; F16-L605 HydrophobicContact CZ-CD1 3.8Å; I131-L605 HydrophobicContact CD1-CD2 4.25Å; I131-L605 HydrophobicContact CD1-CG 4.5Å; L564-L605 HydrophobicContact CD1-CD1 3.93Å; L564-L605 HydrophobicContact CD2-CB 4.11Å; R601-L605 HydrophobicContact CG-CD1 3.85Å; R601-L605 HydrophobicContact CG-CG 4.45Å; R601-L605 WeakPolarHBondContact O-CG 3.39Å; R601-L605 PolarHBondContact O-N 3.3Å; S602-L605 PolarHBondContact O-N 3.22Å; T603-L605 VanDerWaalsContact C-N 3.33Å; T603-L605 PolarHBondContact O-N 3.23Å; L605-F607 VanDerWaalsContact C-N 3.32Å; L605-F607 PolarHBondContact O-N 3Å; L605-E608 PolarHBondContact O-N 3.02Å; L605-A609 PolarHBondContact O-N 3.04Å; L605-A609 VanDerWaalsContact O-N 3.15Å |
| 606 | N | 93 | Very high | 89.6 | Confident | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -58.6 | -45.9 | 173.1 | -161.1 | 14.9 | 0 | 0 | 0 | 111.2 | Y577 M582 D583 S602 T603 E608 A609 L610 | Y577-N606 WeakPolarHBondContact CE1-OD1 3.31Å; Y577-N606 PolarHBondContact OH-OD1 3.46Å; Y577-N606 VanDerWaalsContact OH-OD1 3.05Å; M582-N606 HydrophobicContact CB-CB 4.37Å; M582-N606 HydrophobicContact CG-CB 3.41Å; M582-N606 VanDerWaalsContact CG-CB 3.41Å; D583-N606 PolarHBondContact OD1-ND2 3.48Å; S602-N606 WeakPolarHBondContact O-CB 3.35Å; S602-N606 PolarHBondContact O-N 3.12Å; T603-N606 PolarHBondContact O-N 3.32Å; N606-E608 VanDerWaalsContact C-N 3.32Å; N606-E608 PolarHBondContact O-N 3.32Å; N606-A609 PolarHBondContact O-N 2.89Å; N606-A609 VanDerWaalsContact O-N 3.16Å; N606-L610 WeakPolarHBondContact O-CB 3.41Å; N606-L610 VanDerWaalsContact O-CG 3.31Å; N606-L610 WeakPolarHBondContact O-CG 3.39Å; N606-L610 PolarHBondContact O-N 3.06Å |
| 607 | F | 92.5 | Very high | 90 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -56.9 | -46 | -179.3 | 173.8 | -105.2 | 0 | 0 | 0 | 111.5 | M1 T603 L605 L610 C611 A619 L623 Q641 C645 | M1-F607 HydrophobicContact CB-CE1 4.25Å; M1-F607 HydrophobicContact CB-CZ 3.78Å; M1-F607 HydrophobicContact CE-CD1 4.29Å; M1-F607 HydrophobicContact CE-CE1 3.71Å; M1-F607 HydrophobicContact CG-CE1 3.48Å; M1-F607 VanDerWaalsContact CG-CE1 3.48Å; M1-F607 HydrophobicContact CG-CZ 3.49Å; M1-F607 VanDerWaalsContact CG-CZ 3.49Å; M1-F607 HydrophobicContact SD-CD1 4.1Å; M1-F607 HydrophobicContact SD-CE1 3.41Å; M1-F607 WeakPolarHBondContact SD-CE1 3.24Å; M1-F607 HydrophobicContact SD-CZ 3.9Å; T603-F607 WeakPolarHBondContact O-CB 3.26Å; T603-F607 PolarHBondContact O-N 3.24Å; L605-F607 VanDerWaalsContact C-N 3.32Å; L605-F607 PolarHBondContact O-N 3Å; F607-L610 PolarHBondContact O-N 2.95Å; F607-C611 VanDerWaalsContact O-CB 3.3Å; F607-C611 WeakPolarHBondContact O-CB 3.29Å; F607-C611 PolarHBondContact O-N 3.11Å; F607-C611 PolarHBondContact O-SG 3.39Å; F607-A619 HydrophobicContact CD2-CB 3.75Å; F607-A619 HydrophobicContact CE2-CB 3.98Å; F607-L623 HydrophobicContact CB-CD2 3.98Å; F607-L623 HydrophobicContact CD1-CD1 4.49Å; F607-L623 HydrophobicContact CD2-CD1 3.51Å; F607-L623 HydrophobicContact CD2-CD2 3.91Å; F607-L623 HydrophobicContact CD2-CG 3.54Å; F607-L623 HydrophobicContact CE1-CD1 4.35Å; F607-L623 HydrophobicContact CE2-CD1 3.36Å; F607-L623 HydrophobicContact CE2-CG 3.91Å; F607-L623 HydrophobicContact CG-CD1 4.09Å; F607-L623 HydrophobicContact CG-CD2 3.93Å; F607-L623 HydrophobicContact CG-CG 4.09Å; F607-L623 HydrophobicContact CZ-CD1 3.81Å; F607-Q641 HydrophobicContact CE1-CB 4.37Å; F607-Q641 HydrophobicContact CZ-CB 3.87Å; F607-Q641 HydrophobicContact CZ-CG 4.46Å; F607-C645 WeakPolarHBondContact CE2-SG 3.48Å |
| 608 | E | 88.8 | Confident | 90.2 | Very high | 11 Ų | 11 | 24.7 Ų | 24.7 | 5% | 0.051 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -62.4 | -45.4 | 176.3 | -174.5 | 67 | -142.6 | 0 | 0 | 111.6 | M1 G8 F11 R127 L604 L605 N606 C611 S612 | M1-E608 WeakPolarHBondContact CE-OE2 3.32Å; G8-E608 VanDerWaalsContact CA-CD 3.49Å; G8-E608 WeakPolarHBondContact CA-OE1 3.08Å; G8-E608 PolarHBondContact N-OE1 3.4Å; F11-E608 HydrophobicContact CD1-CG 4.47Å; R127-E608 IonicContact CZ-OE2 2.6Å; R127-E608 IonicContact NH1-OE2 3.59Å; R127-E608 PolarHBondContact NH1-OE2 3.12Å; R127-E608 IonicContact NH2-OE2 3.83Å; R127-E608 PolarHBondContact NH2-OE2 2.81Å; L604-E608 PolarHBondContact O-N 3.43Å; L605-E608 PolarHBondContact O-N 3.02Å; N606-E608 VanDerWaalsContact C-N 3.32Å; N606-E608 PolarHBondContact O-N 3.32Å; E608-C611 PolarHBondContact O-N 2.94Å; E608-S612 PolarHBondContact O-N 3.39Å; E608-S612 PolarHBondContact O-OG 2.94Å |
| 609 | A | 90.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -65.3 | -39.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y567 Y577 L605 N606 S612 R613 | Y567-A609 HydrophobicContact CD1-CB 4.23Å; Y567-A609 HydrophobicContact CD2-CB 3.61Å; Y567-A609 HydrophobicContact CE1-CB 4.3Å; Y567-A609 HydrophobicContact CE2-CB 3.7Å; Y567-A609 HydrophobicContact CG-CB 3.88Å; Y577-A609 HydrophobicContact CD1-CB 4.35Å; Y577-A609 HydrophobicContact CE1-CB 3.73Å; Y577-A609 HydrophobicContact CE2-CB 3.97Å; L605-A609 PolarHBondContact O-N 3.04Å; L605-A609 VanDerWaalsContact O-N 3.15Å; N606-A609 PolarHBondContact O-N 2.89Å; N606-A609 VanDerWaalsContact O-N 3.16Å; A609-S612 PolarHBondContact O-OG 3.45Å; A609-R613 VanDerWaalsContact O-CG 3.26Å; A609-R613 WeakPolarHBondContact O-CG 3.33Å; A609-R613 PolarHBondContact O-N 3.28Å |
| 610 | L | 91.6 | Very high | 90.5 | Very high | 2 Ų | 2 | 25.1 Ų | 25.1 | 1% | 0.01 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -68 | -42 | 176.1 | -71.4 | 169.3 | 0 | 0 | 0 | 111.3 | Y577 Y579 N606 F607 S612 R613 G614 L615 E618 A619 | Y577-L610 HydrophobicContact CD1-CD2 4.27Å; Y577-L610 HydrophobicContact CE1-CD2 4.19Å; Y577-L610 HydrophobicContact CE1-CG 4.28Å; Y579-L610 HydrophobicContact CD1-CD2 4.4Å; Y579-L610 HydrophobicContact CG-CD2 4.18Å; N606-L610 WeakPolarHBondContact O-CB 3.41Å; N606-L610 VanDerWaalsContact O-CG 3.31Å; N606-L610 WeakPolarHBondContact O-CG 3.39Å; N606-L610 PolarHBondContact O-N 3.06Å; F607-L610 PolarHBondContact O-N 2.95Å; L610-S612 PolarHBondContact O-N 3.38Å; L610-R613 CarbonylContact O-C 3.42Å; L610-R613 PolarHBondContact O-N 2.73Å; L610-G614 PolarHBondContact O-N 3.17Å; L610-G614 VanDerWaalsContact O-N 3.15Å; L610-L615 HydrophobicContact CB-CB 4.38Å; L610-L615 HydrophobicContact CD2-CB 3.99Å; L610-L615 HydrophobicContact CD2-CD1 3.9Å; L610-L615 PolarHBondContact O-N 3.38Å; L610-E618 HydrophobicContact CD1-CB 4.18Å; L610-E618 HydrophobicContact CD2-CB 4.23Å; L610-A619 HydrophobicContact CB-CB 3.84Å; L610-A619 HydrophobicContact CD1-CB 4.33Å |
| 611 | C | 89.4 | Confident | 90.6 | Very high | 10 Ų | 10 | 26.2 Ų | 26.2 | 7% | 0.068 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -65.7 | -37.7 | 179.2 | -72 | 0 | 0 | 0 | 0 | 112.7 | M1 F607 E608 R613 G614 Y616 | M1-C611 HydrophobicContact CB-CB 4.09Å; M1-C611 VanDerWaalsContact CB-SG 3.53Å; M1-C611 HydrophobicContact SD-CB 3.59Å; M1-C611 VanDerWaalsContact SD-CB 3.59Å; F607-C611 VanDerWaalsContact O-CB 3.3Å; F607-C611 WeakPolarHBondContact O-CB 3.29Å; F607-C611 PolarHBondContact O-N 3.11Å; F607-C611 PolarHBondContact O-SG 3.39Å; E608-C611 PolarHBondContact O-N 2.94Å; C611-R613 VanDerWaalsContact C-N 3.26Å; C611-R613 PolarHBondContact O-N 3.09Å; C611-G614 PolarHBondContact O-N 3.24Å; C611-Y616 HydrophobicContact CB-CD1 4.48Å; C611-Y616 HydrophobicContact CB-CE1 4.18Å |
| 612 | S | 84.6 | Confident | 90.5 | Very high | 64 Ų | 64 | 26.2 Ų | 26.2 | 45% | 0.448 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -69.9 | -23.4 | 176.1 | 69.9 | 0 | 0 | 0 | 0 | 113.1 | Y567 E608 A609 L610 | Y567-S612 WeakPolarHBondContact CE2-OG 3.36Å; Y567-S612 WeakPolarHBondContact OH-CB 3.4Å; Y567-S612 PolarHBondContact OH-OG 3.36Å; E608-S612 PolarHBondContact O-N 3.39Å; E608-S612 PolarHBondContact O-OG 2.94Å; A609-S612 PolarHBondContact O-OG 3.45Å; L610-S612 PolarHBondContact O-N 3.38Å |
| 613 | R | 86.1 | Confident | 90.5 | Very high | 102 Ų | 102 | 26.2 Ų | 26.2 | 39% | 0.385 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -0.6 | 173.5 | -60 | -66 | 179.3 | 145 | -0.2 | 113.7 | A609 L610 C611 L615 | A609-R613 VanDerWaalsContact O-CG 3.26Å; A609-R613 WeakPolarHBondContact O-CG 3.33Å; A609-R613 PolarHBondContact O-N 3.28Å; L610-R613 CarbonylContact O-C 3.42Å; L610-R613 PolarHBondContact O-N 2.73Å; C611-R613 VanDerWaalsContact C-N 3.26Å; C611-R613 PolarHBondContact O-N 3.09Å; R613-L615 VanDerWaalsContact C-N 3.33Å; R613-L615 HydrophobicContact CB-CG 4.48Å |
| 614 | G | 85.5 | Confident | 90.4 | Very high | 39 Ų | 39 | 28 Ų | 28 | 40% | 0.402 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.7 | 10.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | L610 C611 Y616 | L610-G614 PolarHBondContact O-N 3.17Å; L610-G614 VanDerWaalsContact O-N 3.15Å; C611-G614 PolarHBondContact O-N 3.24Å; G614-Y616 VanDerWaalsContact C-N 3.31Å; G614-Y616 WeakPolarHBondContact O-CD2 3.35Å; G614-Y616 PolarHBondContact O-N 3.03Å; G614-Y616 VanDerWaalsContact O-N 3.12Å |
| 615 | L | 89.5 | Confident | 90.2 | Very high | 51 Ų | 51 | 35.4 Ų | 35.4 | 27% | 0.267 | 18% | 0.181 | S | C | . | . | trans | -86.6 | 65.7 | 179.7 | -64.5 | 177.3 | 0 | 0 | 0 | 110.9 | L610 R613 N617 E618 A619 | L610-L615 HydrophobicContact CB-CB 4.38Å; L610-L615 HydrophobicContact CD2-CB 3.99Å; L610-L615 HydrophobicContact CD2-CD1 3.9Å; L610-L615 PolarHBondContact O-N 3.38Å; R613-L615 VanDerWaalsContact C-N 3.33Å; R613-L615 HydrophobicContact CB-CG 4.48Å; L615-N617 PolarHBondContact O-N 2.95Å; L615-E618 WeakPolarHBondContact CB-OE2 3.47Å; L615-A619 WeakPolarHBondContact O-CB 2.91Å; L615-A619 PolarHBondContact O-N 3.47Å; L615-A619 VanDerWaalsContact O-N 3.11Å | ||
| 616 | Y | 91 | Very high | 90 | Very high | 64 Ų | 64 | 36.8 Ų | 36.8 | 25% | 0.251 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -73.4 | -25.1 | -171.9 | -59.7 | -64.2 | 0 | 0 | 0 | 114.5 | C611 G614 A620 S648 | C611-Y616 HydrophobicContact CB-CD1 4.48Å; C611-Y616 HydrophobicContact CB-CE1 4.18Å; G614-Y616 VanDerWaalsContact C-N 3.31Å; G614-Y616 WeakPolarHBondContact O-CD2 3.35Å; G614-Y616 PolarHBondContact O-N 3.03Å; G614-Y616 VanDerWaalsContact O-N 3.12Å; Y616-A620 WeakPolarHBondContact O-CB 3.4Å; Y616-A620 PolarHBondContact O-N 3.45Å; Y616-S648 VanDerWaalsContact CD2-O 3.26Å; Y616-S648 WeakPolarHBondContact CD2-O 3.48Å; Y616-S648 WeakPolarHBondContact CE2-O 3.44Å |
| 617 | N | 90.7 | Very high | 89.7 | Confident | 81 Ų | 81 | 38.4 Ų | 38.4 | 43% | 0.433 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -69.2 | -47.7 | 177.9 | -79.3 | -37.9 | 0 | 0 | 0 | 110.4 | L615 A619 A620 V621 L649 | L615-N617 PolarHBondContact O-N 2.95Å; N617-A619 VanDerWaalsContact C-N 3.34Å; N617-A620 PolarHBondContact O-N 3.11Å; N617-V621 WeakPolarHBondContact O-CG2 3.13Å; N617-V621 PolarHBondContact O-N 3.3Å; N617-L649 WeakPolarHBondContact OD1-CD1 3.38Å; N617-L649 WeakPolarHBondContact OD1-CD2 3.3Å |
| 618 | E | 90.4 | Very high | 89.2 | Confident | 71 Ų | 71 | 40.7 Ų | 40.7 | 33% | 0.332 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -64.3 | -41.9 | 177.9 | -62.3 | 72.7 | -162.1 | 0 | 0 | 110.2 | L610 L615 A620 V621 A622 | L610-E618 HydrophobicContact CD1-CB 4.18Å; L610-E618 HydrophobicContact CD2-CB 4.23Å; L615-E618 WeakPolarHBondContact CB-OE2 3.47Å; E618-A620 VanDerWaalsContact C-N 3.34Å; E618-A620 PolarHBondContact O-N 3.28Å; E618-V621 PolarHBondContact O-N 2.69Å; E618-A622 PolarHBondContact O-N 3.01Å |
| 619 | A | 91.4 | Very high | 88.3 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.1 | -43.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | F607 L610 L615 N617 A622 L623 | F607-A619 HydrophobicContact CD2-CB 3.75Å; F607-A619 HydrophobicContact CE2-CB 3.98Å; L610-A619 HydrophobicContact CB-CB 3.84Å; L610-A619 HydrophobicContact CD1-CB 4.33Å; L615-A619 WeakPolarHBondContact O-CB 2.91Å; L615-A619 PolarHBondContact O-N 3.47Å; L615-A619 VanDerWaalsContact O-N 3.11Å; N617-A619 VanDerWaalsContact C-N 3.34Å; A619-A622 PolarHBondContact O-N 3.1Å; A619-L623 PolarHBondContact O-N 3.48Å |
| 620 | A | 93 | Very high | 87.6 | Confident | 9 Ų | 9 | 51.6 Ų | 51.6 | 7% | 0.074 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.4 | -42.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y616 N617 E618 L623 I624 V642 C645 | Y616-A620 WeakPolarHBondContact O-CB 3.4Å; Y616-A620 PolarHBondContact O-N 3.45Å; N617-A620 PolarHBondContact O-N 3.11Å; E618-A620 VanDerWaalsContact C-N 3.34Å; E618-A620 PolarHBondContact O-N 3.28Å; A620-L623 PolarHBondContact O-N 3.41Å; A620-I624 VanDerWaalsContact O-CG1 3.27Å; A620-I624 WeakPolarHBondContact O-CG1 3.28Å; A620-I624 PolarHBondContact O-N 3.28Å; A620-V642 HydrophobicContact CB-CG1 4.21Å; A620-C645 HydrophobicContact CB-CB 4.11Å |
| 621 | V | 92.3 | Very high | 87.2 | Confident | 38 Ų | 38 | 55.2 Ų | 55.2 | 23% | 0.23 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.4 | -43.4 | 177.1 | 171.2 | 0 | 0 | 0 | 0 | 111.2 | N617 E618 L623 I624 R625 V856 | N617-V621 WeakPolarHBondContact O-CG2 3.13Å; N617-V621 PolarHBondContact O-N 3.3Å; E618-V621 PolarHBondContact O-N 2.69Å; V621-L623 VanDerWaalsContact C-N 3.32Å; V621-L623 PolarHBondContact O-N 2.91Å; V621-I624 PolarHBondContact O-N 2.57Å; V621-R625 WeakPolarHBondContact O-CG 3.5Å; V621-R625 PolarHBondContact O-N 3.4Å; V621-R625 VanDerWaalsContact O-N 3.11Å; V621-V856 HydrophobicContact CG2-CG1 4.49Å; V621-V856 HydrophobicContact CG2-CG2 3.94Å |
| 622 | A | 90.3 | Very high | 87.1 | Confident | 6 Ų | 6 | 55.9 Ų | 55.9 | 5% | 0.05 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -58.2 | -42.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | T603 E618 A619 | T603-A622 HydrophobicContact CG2-CB 4.32Å; T603-A622 WeakPolarHBondContact CG2-O 3.15Å; E618-A622 PolarHBondContact O-N 3.01Å; A619-A622 PolarHBondContact O-N 3.1Å |
| 623 | L | 92.6 | Very high | 87.2 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -70 | -44.6 | 177.6 | -67.2 | -168.5 | 0 | 0 | 0 | 113.2 | T603 F607 A619 A620 V621 R625 L626 L638 Q641 V642 | T603-L623 HydrophobicContact CG2-CD2 3.71Å; F607-L623 HydrophobicContact CB-CD2 3.98Å; F607-L623 HydrophobicContact CD1-CD1 4.49Å; F607-L623 HydrophobicContact CD2-CD1 3.51Å; F607-L623 HydrophobicContact CD2-CD2 3.91Å; F607-L623 HydrophobicContact CD2-CG 3.54Å; F607-L623 HydrophobicContact CE1-CD1 4.35Å; F607-L623 HydrophobicContact CE2-CD1 3.36Å; F607-L623 HydrophobicContact CE2-CG 3.91Å; F607-L623 HydrophobicContact CG-CD1 4.09Å; F607-L623 HydrophobicContact CG-CD2 3.93Å; F607-L623 HydrophobicContact CG-CG 4.09Å; F607-L623 HydrophobicContact CZ-CD1 3.81Å; A619-L623 PolarHBondContact O-N 3.48Å; A620-L623 PolarHBondContact O-N 3.41Å; V621-L623 VanDerWaalsContact C-N 3.32Å; V621-L623 PolarHBondContact O-N 2.91Å; L623-R625 PolarHBondContact O-N 3.19Å; L623-L626 PolarHBondContact O-N 3.3Å; L623-L626 VanDerWaalsContact O-N 3.11Å; L623-L638 HydrophobicContact CB-CB 4.48Å; L623-L638 HydrophobicContact CD1-CD2 4.5Å; L623-L638 HydrophobicContact CD2-CD2 3.9Å; L623-Q641 HydrophobicContact CD1-CB 3.65Å; L623-V642 HydrophobicContact CB-CG2 3.62Å; L623-V642 HydrophobicContact CD1-CG2 4.04Å; L623-V642 HydrophobicContact CG-CG2 4.42Å |
| 624 | I | 90.1 | Very high | 87.3 | Confident | 41 Ų | 41 | 50.4 Ų | 50.4 | 21% | 0.21 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60 | -36.7 | -179.5 | -68.1 | 166.4 | 0 | 0 | 0 | 110.7 | A620 V621 L626 T627 V642 | A620-I624 VanDerWaalsContact O-CG1 3.27Å; A620-I624 WeakPolarHBondContact O-CG1 3.28Å; A620-I624 PolarHBondContact O-N 3.28Å; V621-I624 PolarHBondContact O-N 2.57Å; I624-L626 PolarHBondContact O-N 2.8Å; I624-L626 VanDerWaalsContact O-N 3.09Å; I624-T627 PolarHBondContact O-N 2.75Å; I624-T627 VanDerWaalsContact O-N 3.09Å; I624-T627 PolarHBondContact O-OG1 2.96Å; I624-V642 HydrophobicContact CD1-CG1 3.79Å; I624-V642 HydrophobicContact CD1-CG2 4.44Å; I624-V642 HydrophobicContact CG1-CB 4.48Å; I624-V642 HydrophobicContact CG1-CG1 3.94Å; I624-V642 HydrophobicContact CG1-CG2 3.77Å |
| 625 | R | 89.1 | Confident | 87.6 | Confident | 155 Ų | 155 | 48.6 Ų | 48.6 | 59% | 0.585 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -23 | 178.3 | -75.9 | 174 | 178.5 | 173.8 | 2.8 | 113.9 | D583 V621 L623 | D583-R625 IonicContact OD2-NH1 2.76Å; D583-R625 PolarHBondContact OD2-NH1 2.95Å; V621-R625 WeakPolarHBondContact O-CG 3.5Å; V621-R625 PolarHBondContact O-N 3.4Å; V621-R625 VanDerWaalsContact O-N 3.11Å; L623-R625 PolarHBondContact O-N 3.19Å |
| 626 | L | 87.2 | Confident | 87.7 | Confident | 28 Ų | 28 | 46.2 Ų | 46.2 | 15% | 0.147 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | -1.9 | 179.1 | -69.4 | -169.9 | 0 | 0 | 0 | 114.4 | V586 L590 A599 L600 T603 L623 I624 S628 L638 | V586-L626 HydrophobicContact CG1-CD2 4.45Å; L590-L626 HydrophobicContact CD1-CD2 3.91Å; L590-L626 HydrophobicContact CD2-CD2 4.12Å; L590-L626 HydrophobicContact CG-CD2 4.47Å; A599-L626 HydrophobicContact CB-CD2 4.39Å; L600-L626 HydrophobicContact CB-CD1 4.2Å; L600-L626 HydrophobicContact CD1-CD1 3.79Å; T603-L626 HydrophobicContact CG2-CD1 3.64Å; T603-L626 HydrophobicContact CG2-CG 4.24Å; T603-L626 VanDerWaalsContact OG1-CD1 3.26Å; T603-L626 WeakPolarHBondContact OG1-CD1 3.43Å; L623-L626 PolarHBondContact O-N 3.3Å; L623-L626 VanDerWaalsContact O-N 3.11Å; I624-L626 PolarHBondContact O-N 2.8Å; I624-L626 VanDerWaalsContact O-N 3.09Å; L626-S628 PolarHBondContact O-N 3.01Å; L626-L638 HydrophobicContact CB-CD1 4.13Å |
| 627 | T | 88.3 | Confident | 87.6 | Confident | 34 Ų | 34 | 43.1 Ų | 43.1 | 21% | 0.209 | 22% | 0.219 | C | C | . | . | trans | -71.8 | 116.6 | 177.9 | 59.5 | 0 | 0 | 0 | 0 | 109.2 | I624 L638 I639 | I624-T627 PolarHBondContact O-N 2.75Å; I624-T627 VanDerWaalsContact O-N 3.09Å; I624-T627 PolarHBondContact O-OG1 2.96Å; T627-L638 HydrophobicContact CG2-CB 4.17Å; T627-I639 HydrophobicContact CG2-CD1 4.13Å; T627-I639 HydrophobicContact CG2-CG1 3.69Å | ||
| 628 | S | 80.6 | Confident | 87.7 | Confident | 48 Ų | 48 | 39.3 Ų | 39.3 | 34% | 0.336 | 20% | 0.198 | S | C | . | . | trans | -116.3 | 167.3 | 179.3 | 73.2 | 0 | 0 | 0 | 0 | 111.4 | L626 S635 | L626-S628 PolarHBondContact O-N 3.01Å; S628-S635 PolarHBondContact N-OG 3.14Å; S628-S635 VanDerWaalsContact N-OG 3.07Å; S628-S635 PolarHBondContact O-OG 3.39Å | ||
| 629 | D | 69.9 | Low | 87.9 | Confident | 72 Ų | 72 | 36 Ų | 36 | 39% | 0.385 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -85 | -15 | 176.8 | -79.1 | -29.4 | 0 | 0 | 0 | 115.2 | R667 H848 | D629-R667 IonicContact OD1-CZ 2.85Å; D629-R667 IonicContact OD1-NH1 3.35Å; D629-R667 PolarHBondContact OD1-NH1 2.95Å; D629-R667 IonicContact OD1-NH2 2.8Å; D629-R667 PolarHBondContact OD1-NH2 3.02Å; D629-H848 IonicContact OD1-CD2 2.75Å; D629-H848 PolarHBondContact OD1-CD2 2.87Å; D629-H848 IonicContact OD1-NE2 3.1Å; D629-H848 PolarHBondContact OD1-NE2 3.27Å; D629-H848 IonicContact OD2-CD2 3.48Å; D629-H848 PolarHBondContact OD2-CD2 2.76Å; D629-H848 IonicContact OD2-NE2 3.62Å |
| 630 | E | 76 | Confident | 87.9 | Confident | 169 Ų | 169 | 36 Ų | 36 | 79% | 0.79 | 18% | 0.183 | S | C | * | . | S | Bend | trans | -78.5 | -39.4 | -177.9 | -56.9 | -56.5 | 149.5 | 0 | 0 | 111.6 | ||
| 631 | D | 82.6 | Confident | 87.9 | Confident | 77 Ų | 77 | 35.6 Ų | 35.6 | 41% | 0.412 | 18% | 0.18 | S | C | . | . | trans | -110.8 | 73.1 | -175.3 | -73.4 | -46.2 | 0 | 0 | 0 | 112.6 | L633 I634 S635 | D631-L633 PolarHBondContact O-N 2.95Å; D631-L633 VanDerWaalsContact O-N 3.1Å; D631-I634 HydrophobicContact CB-CB 4.1Å; D631-I634 HydrophobicContact CB-CD1 4.08Å; D631-I634 HydrophobicContact CB-CG1 4.2Å; D631-I634 PolarHBondContact O-N 3.17Å; D631-I634 VanDerWaalsContact O-N 3.11Å; D631-S635 PolarHBondContact O-N 3.06Å; D631-S635 PolarHBondContact O-OG 2.58Å | ||
| 632 | D | 88 | Confident | 87.9 | Confident | 24 Ų | 24 | 33.9 Ų | 33.9 | 13% | 0.128 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -54.4 | -33.5 | -177.8 | -78.6 | -46.5 | 0 | 0 | 0 | 113.9 | G636 R667 R670 A671 | D632-G636 PolarHBondContact O-N 3.17Å; D632-R667 WeakPolarHBondContact O-CB 3.44Å; D632-R667 VanDerWaalsContact OD1-CD 3.28Å; D632-R667 WeakPolarHBondContact OD1-CD 3.49Å; D632-R667 IonicContact OD1-CZ 3.76Å; D632-R667 IonicContact OD1-NH1 3.88Å; D632-R667 PolarHBondContact OD1-NH1 3.44Å; D632-R670 HydrophobicContact CB-CB 4.11Å; D632-R670 VanDerWaalsContact CG-NE 3.28Å; D632-R670 IonicContact OD1-CZ 2.84Å; D632-R670 IonicContact OD1-NE 2.73Å; D632-R670 PolarHBondContact OD1-NE 3.18Å; D632-R670 IonicContact OD1-NH1 3.9Å; D632-R670 IonicContact OD1-NH2 3.91Å; D632-R670 PolarHBondContact OD1-NH2 3.44Å; D632-R670 WeakPolarHBondContact OD2-CB 3.44Å; D632-R670 IonicContact OD2-CZ 3.88Å; D632-R670 IonicContact OD2-NE 2.93Å; D632-R670 PolarHBondContact OD2-NE 2.84Å; D632-R670 IonicContact OD2-NH2 3.09Å; D632-R670 PolarHBondContact OD2-NH2 2.86Å; D632-A671 HydrophobicContact CB-CB 4.2Å |
| 633 | L | 87.1 | Confident | 88 | Confident | 18 Ų | 18 | 33.6 Ų | 33.6 | 9% | 0.094 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -67.6 | -48.8 | 178.4 | -179 | 64.8 | 0 | 0 | 0 | 111.7 | R90 D631 G636 L637 Y668 A671 Q673 | R90-L633 HydrophobicContact CG-CD2 3.65Å; D631-L633 PolarHBondContact O-N 2.95Å; D631-L633 VanDerWaalsContact O-N 3.1Å; L633-G636 PolarHBondContact O-N 3.38Å; L633-L637 HydrophobicContact CD1-CD1 4.4Å; L633-L637 HydrophobicContact CG-CD1 4.09Å; L633-L637 WeakPolarHBondContact O-CG 3.38Å; L633-L637 PolarHBondContact O-N 3.33Å; L633-Y668 HydrophobicContact CD1-CD1 4.34Å; L633-Y668 HydrophobicContact CD1-CE1 4.34Å; L633-A671 HydrophobicContact CB-CB 3.93Å; L633-A671 HydrophobicContact CD1-CB 4.23Å; L633-Q673 HydrophobicContact CD1-CG 3.96Å |
| 634 | I | 88.6 | Confident | 87.8 | Confident | 34 Ų | 34 | 34 Ų | 34 | 17% | 0.174 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65.1 | -47.4 | -179.1 | -60.7 | 179.6 | 0 | 0 | 0 | 108.4 | W126 L600 D631 G636 L637 L638 | W126-I634 HydrophobicContact CH2-CG2 4.11Å; W126-I634 HydrophobicContact CZ2-CB 4.36Å; W126-I634 HydrophobicContact CZ2-CD1 4.41Å; W126-I634 HydrophobicContact CZ2-CG1 3.96Å; W126-I634 HydrophobicContact CZ2-CG2 3.88Å; L600-I634 HydrophobicContact CD1-CG2 4.28Å; L600-I634 HydrophobicContact CD2-CD1 4.04Å; L600-I634 HydrophobicContact CD2-CG2 3.93Å; D631-I634 HydrophobicContact CB-CB 4.1Å; D631-I634 HydrophobicContact CB-CD1 4.08Å; D631-I634 HydrophobicContact CB-CG1 4.2Å; D631-I634 PolarHBondContact O-N 3.17Å; D631-I634 VanDerWaalsContact O-N 3.11Å; I634-G636 VanDerWaalsContact C-N 3.29Å; I634-G636 PolarHBondContact O-N 2.91Å; I634-L637 PolarHBondContact O-N 3.22Å; I634-L637 VanDerWaalsContact O-N 3.13Å; I634-L638 HydrophobicContact CG2-CD1 4Å; I634-L638 HydrophobicContact CG2-CG 4.11Å; I634-L638 VanDerWaalsContact O-CG 3.3Å; I634-L638 WeakPolarHBondContact O-CG 3.15Å; I634-L638 PolarHBondContact O-N 3.32Å |
| 635 | S | 90.8 | Very high | 87.8 | Confident | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.007 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -56.1 | -42.1 | 175 | -69.1 | 0 | 0 | 0 | 0 | 112.1 | S628 D631 L638 I639 | S628-S635 PolarHBondContact N-OG 3.14Å; S628-S635 VanDerWaalsContact N-OG 3.07Å; S628-S635 PolarHBondContact O-OG 3.39Å; D631-S635 PolarHBondContact O-N 3.06Å; D631-S635 PolarHBondContact O-OG 2.58Å; S635-L638 PolarHBondContact O-N 3.39Å; S635-I639 VanDerWaalsContact O-CB 3.32Å; S635-I639 WeakPolarHBondContact O-CB 3.33Å; S635-I639 VanDerWaalsContact O-CD1 3.29Å; S635-I639 WeakPolarHBondContact O-CD1 3.33Å; S635-I639 WeakPolarHBondContact O-CG1 3.46Å; S635-I639 PolarHBondContact O-N 2.76Å |
| 636 | G | 90.9 | Very high | 87.8 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -59.1 | -49 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | D632 L633 I634 L638 I639 E640 | D632-G636 PolarHBondContact O-N 3.17Å; L633-G636 PolarHBondContact O-N 3.38Å; I634-G636 VanDerWaalsContact C-N 3.29Å; I634-G636 PolarHBondContact O-N 2.91Å; G636-L638 PolarHBondContact O-N 2.79Å; G636-I639 PolarHBondContact O-N 3.1Å; G636-E640 WeakPolarHBondContact O-CB 3.3Å; G636-E640 PolarHBondContact O-N 3.4Å |
| 637 | L | 90.3 | Very high | 87.8 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61.2 | -44 | 178.6 | -72.1 | 163.5 | 0 | 0 | 0 | 112.4 | F123 W126 L633 I634 Q641 Y668 | F123-L637 HydrophobicContact CD2-CB 4.2Å; F123-L637 HydrophobicContact CD2-CD2 4.39Å; W126-L637 HydrophobicContact CB-CD1 4.25Å; W126-L637 HydrophobicContact CD2-CD1 3.59Å; W126-L637 HydrophobicContact CE3-CD1 4.13Å; W126-L637 HydrophobicContact CG-CD1 3.57Å; W126-L637 HydrophobicContact CZ2-CD1 4.42Å; L633-L637 HydrophobicContact CD1-CD1 4.4Å; L633-L637 HydrophobicContact CG-CD1 4.09Å; L633-L637 WeakPolarHBondContact O-CG 3.38Å; L633-L637 PolarHBondContact O-N 3.33Å; I634-L637 PolarHBondContact O-N 3.22Å; I634-L637 VanDerWaalsContact O-N 3.13Å; L637-Q641 PolarHBondContact O-N 3.44Å; L637-Y668 WeakPolarHBondContact CA-OH 3.1Å; L637-Y668 HydrophobicContact CD2-CE1 4.31Å; L637-Y668 WeakPolarHBondContact CD2-OH 2.97Å; L637-Y668 HydrophobicContact CG-CE1 4.13Å; L637-Y668 PolarHBondContact N-OH 2.91Å |
| 638 | L | 92.8 | Very high | 87.7 | Confident | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -67.9 | -45.5 | 179.3 | -64.8 | -172.3 | 0 | 0 | 0 | 111.6 | W126 L600 L604 L623 L626 T627 I634 S635 G636 E640 Q641 V642 | W126-L638 HydrophobicContact CH2-CD2 4.25Å; W126-L638 HydrophobicContact CZ3-CD2 4.4Å; L600-L638 HydrophobicContact CD1-CD1 4.1Å; L604-L638 HydrophobicContact CD2-CD2 4.08Å; L623-L638 HydrophobicContact CB-CB 4.48Å; L623-L638 HydrophobicContact CD1-CD2 4.5Å; L623-L638 HydrophobicContact CD2-CD2 3.9Å; L626-L638 HydrophobicContact CB-CD1 4.13Å; T627-L638 HydrophobicContact CG2-CB 4.17Å; I634-L638 HydrophobicContact CG2-CD1 4Å; I634-L638 HydrophobicContact CG2-CG 4.11Å; I634-L638 VanDerWaalsContact O-CG 3.3Å; I634-L638 WeakPolarHBondContact O-CG 3.15Å; I634-L638 PolarHBondContact O-N 3.32Å; S635-L638 PolarHBondContact O-N 3.39Å; G636-L638 PolarHBondContact O-N 2.79Å; L638-E640 VanDerWaalsContact C-N 3.28Å; L638-E640 PolarHBondContact O-N 3.37Å; L638-Q641 PolarHBondContact O-N 2.97Å; L638-V642 VanDerWaalsContact O-CG2 3.27Å; L638-V642 WeakPolarHBondContact O-CG2 3.48Å; L638-V642 PolarHBondContact O-N 3.27Å |
| 639 | I | 93.4 | Very high | 88.1 | Confident | 3 Ų | 3 | 23.6 Ų | 23.6 | 2% | 0.015 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -65.1 | -34.4 | -179.5 | -66.3 | 165.7 | 0 | 0 | 0 | 111.2 | T627 S635 G636 V642 A643 R660 L663 A664 R667 | T627-I639 HydrophobicContact CG2-CD1 4.13Å; T627-I639 HydrophobicContact CG2-CG1 3.69Å; S635-I639 VanDerWaalsContact O-CB 3.32Å; S635-I639 WeakPolarHBondContact O-CB 3.33Å; S635-I639 VanDerWaalsContact O-CD1 3.29Å; S635-I639 WeakPolarHBondContact O-CD1 3.33Å; S635-I639 WeakPolarHBondContact O-CG1 3.46Å; S635-I639 PolarHBondContact O-N 2.76Å; G636-I639 PolarHBondContact O-N 3.1Å; I639-V642 WeakPolarHBondContact O-CB 3.4Å; I639-V642 PolarHBondContact O-N 3.28Å; I639-A643 PolarHBondContact O-N 3.02Å; I639-R660 HydrophobicContact CG2-CB 4.25Å; I639-R660 VanDerWaalsContact CG2-O 3.24Å; I639-R660 WeakPolarHBondContact CG2-O 3.4Å; I639-L663 HydrophobicContact CD1-CD2 3.9Å; I639-L663 HydrophobicContact CD1-CG 3.99Å; I639-L663 HydrophobicContact CG2-CB 4.27Å; I639-L663 HydrophobicContact CG2-CD2 4.24Å; I639-L663 HydrophobicContact CG2-CG 4.31Å; I639-A664 HydrophobicContact CB-CB 4.22Å; I639-A664 HydrophobicContact CG2-CB 4.01Å; I639-R667 HydrophobicContact CD1-CG 4.24Å |
| 640 | E | 92.5 | Very high | 88.7 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.9 | -46.3 | 173 | -177.4 | 167.9 | -139.2 | 0 | 0 | 111.4 | L120 W122 G636 L638 V642 A643 H644 M661 A664 Y668 R679 | L120-E640 VanDerWaalsContact CD2-CD 3.44Å; L120-E640 HydrophobicContact CD2-CG 3.58Å; W122-E640 PolarHBondContact NE1-OE2 3.22Å; W122-E640 VanDerWaalsContact NE1-OE2 3.1Å; G636-E640 WeakPolarHBondContact O-CB 3.3Å; G636-E640 PolarHBondContact O-N 3.4Å; L638-E640 VanDerWaalsContact C-N 3.28Å; L638-E640 PolarHBondContact O-N 3.37Å; E640-V642 VanDerWaalsContact C-N 3.3Å; E640-V642 PolarHBondContact O-N 2.94Å; E640-A643 WeakPolarHBondContact O-CB 3.25Å; E640-A643 PolarHBondContact O-N 3.06Å; E640-A643 VanDerWaalsContact O-N 3.11Å; E640-H644 PolarHBondContact O-CD2 3.11Å; E640-H644 VanDerWaalsContact O-CD2 3.27Å; E640-H644 PolarHBondContact O-N 3.44Å; E640-H644 VanDerWaalsContact O-N 3.07Å; E640-M661 HydrophobicContact CG-CE 4.2Å; E640-M661 HydrophobicContact CG-SD 4.03Å; E640-A664 HydrophobicContact CB-CB 4.12Å; E640-Y668 PolarHBondContact OE2-OH 3.16Å; E640-R679 IonicContact OE1-CZ 3.36Å; E640-R679 IonicContact OE1-NE 3.7Å; E640-R679 IonicContact OE1-NH2 2.71Å; E640-R679 PolarHBondContact OE1-NH2 3.28Å |
| 641 | Q | 91.5 | Very high | 89 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63.5 | -35.8 | 175.1 | -69.2 | -53.1 | -36.6 | 0 | 0 | 113.2 | F123 F607 L623 L637 L638 A643 H644 C645 | F123-Q641 HydrophobicContact CD1-CG 3.87Å; F123-Q641 VanDerWaalsContact CD1-NE2 3.33Å; F123-Q641 HydrophobicContact CD2-CG 3.62Å; F123-Q641 HydrophobicContact CE1-CG 3.73Å; F123-Q641 HydrophobicContact CE2-CG 3.47Å; F123-Q641 VanDerWaalsContact CE2-CG 3.47Å; F123-Q641 HydrophobicContact CG-CG 3.83Å; F123-Q641 HydrophobicContact CZ-CG 3.54Å; F607-Q641 HydrophobicContact CE1-CB 4.37Å; F607-Q641 HydrophobicContact CZ-CB 3.87Å; F607-Q641 HydrophobicContact CZ-CG 4.46Å; L623-Q641 HydrophobicContact CD1-CB 3.65Å; L637-Q641 PolarHBondContact O-N 3.44Å; L638-Q641 PolarHBondContact O-N 2.97Å; Q641-A643 VanDerWaalsContact C-N 3.34Å; Q641-H644 PolarHBondContact O-N 3.22Å; Q641-C645 PolarHBondContact O-N 3.39Å; Q641-C645 PolarHBondContact O-SG 3.46Å |
| 642 | V | 92.9 | Very high | 89.1 | Confident | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.006 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -59.4 | -45.6 | 171.5 | 167 | 0 | 0 | 0 | 0 | 110.6 | A620 L623 I624 L638 I639 E640 H644 C645 V646 R660 | A620-V642 HydrophobicContact CB-CG1 4.21Å; L623-V642 HydrophobicContact CB-CG2 3.62Å; L623-V642 HydrophobicContact CD1-CG2 4.04Å; L623-V642 HydrophobicContact CG-CG2 4.42Å; I624-V642 HydrophobicContact CD1-CG1 3.79Å; I624-V642 HydrophobicContact CD1-CG2 4.44Å; I624-V642 HydrophobicContact CG1-CB 4.48Å; I624-V642 HydrophobicContact CG1-CG1 3.94Å; I624-V642 HydrophobicContact CG1-CG2 3.77Å; L638-V642 VanDerWaalsContact O-CG2 3.27Å; L638-V642 WeakPolarHBondContact O-CG2 3.48Å; L638-V642 PolarHBondContact O-N 3.27Å; I639-V642 WeakPolarHBondContact O-CB 3.4Å; I639-V642 PolarHBondContact O-N 3.28Å; E640-V642 VanDerWaalsContact C-N 3.3Å; E640-V642 PolarHBondContact O-N 2.94Å; V642-H644 VanDerWaalsContact C-N 3.3Å; V642-H644 PolarHBondContact O-N 2.63Å; V642-C645 WeakPolarHBondContact O-CB 3.43Å; V642-C645 PolarHBondContact O-N 3.22Å; V642-V646 WeakPolarHBondContact O-CG2 3.27Å; V642-V646 PolarHBondContact O-N 2.79Å; V642-V646 VanDerWaalsContact O-N 3.1Å; V642-R660 HydrophobicContact CG1-CG 4.5Å |
| 643 | A | 92 | Very high | 89 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -58.2 | -44.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | I639 E640 Q641 C645 V646 L647 F657 R660 M661 | I639-A643 PolarHBondContact O-N 3.02Å; E640-A643 WeakPolarHBondContact O-CB 3.25Å; E640-A643 PolarHBondContact O-N 3.06Å; E640-A643 VanDerWaalsContact O-N 3.11Å; Q641-A643 VanDerWaalsContact C-N 3.34Å; A643-C645 VanDerWaalsContact C-N 3.31Å; A643-C645 PolarHBondContact O-N 3.07Å; A643-V646 WeakPolarHBondContact O-CB 3.33Å; A643-V646 PolarHBondContact O-N 2.68Å; A643-L647 PolarHBondContact O-N 3.33Å; A643-F657 HydrophobicContact CB-CD2 3.7Å; A643-F657 HydrophobicContact CB-CE2 4.06Å; A643-F657 WeakPolarHBondContact O-CD2 3.34Å; A643-R660 HydrophobicContact CB-CB 3.72Å; A643-M661 HydrophobicContact CB-CG 3.85Å; A643-M661 HydrophobicContact CB-SD 3.66Å |
| 644 | H | 89.6 | Confident | 89 | Confident | 10 Ų | 10 | 35.2 Ų | 35.2 | 5% | 0.046 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.7 | -30 | 175 | -79 | -84.5 | 0 | 0 | 0 | 113.6 | M1 V116 P117 L120 E640 Q641 V642 L647 S648 | M1-H644 PolarHBondContact N-O 3.34Å; V116-H644 VanDerWaalsContact CG1-CE1 3.48Å; V116-H644 WeakPolarHBondContact CG1-CE1 3.48Å; P117-H644 PolarHBondContact O-CE1 2.85Å; L120-H644 VanDerWaalsContact CD1-CE1 3.44Å; L120-H644 WeakPolarHBondContact CD1-CE1 3.44Å; L120-H644 VanDerWaalsContact CD1-NE2 3.27Å; L120-H644 WeakPolarHBondContact CD1-NE2 3.47Å; E640-H644 PolarHBondContact O-CD2 3.11Å; E640-H644 VanDerWaalsContact O-CD2 3.27Å; E640-H644 PolarHBondContact O-N 3.44Å; E640-H644 VanDerWaalsContact O-N 3.07Å; Q641-H644 PolarHBondContact O-N 3.22Å; V642-H644 VanDerWaalsContact C-N 3.3Å; V642-H644 PolarHBondContact O-N 2.63Å; H644-L647 PolarHBondContact O-N 3.43Å; H644-S648 PolarHBondContact O-N 3.39Å; H644-S648 PolarHBondContact O-OG 2.86Å |
| 645 | C | 90.2 | Very high | 88.9 | Confident | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.007 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -67.6 | -39.4 | 173.8 | -67.5 | 0 | 0 | 0 | 0 | 112.2 | M1 F607 A620 Q641 V642 A643 L647 S648 L649 | M1-C645 PolarHBondContact N-SG 3.47Å; M1-C645 VanDerWaalsContact N-SG 3.43Å; F607-C645 WeakPolarHBondContact CE2-SG 3.48Å; A620-C645 HydrophobicContact CB-CB 4.11Å; Q641-C645 PolarHBondContact O-N 3.39Å; Q641-C645 PolarHBondContact O-SG 3.46Å; V642-C645 WeakPolarHBondContact O-CB 3.43Å; V642-C645 PolarHBondContact O-N 3.22Å; A643-C645 VanDerWaalsContact C-N 3.31Å; A643-C645 PolarHBondContact O-N 3.07Å; C645-L647 PolarHBondContact O-N 3.34Å; C645-S648 PolarHBondContact O-N 3.27Å; C645-L649 PolarHBondContact O-N 3.28Å |
| 646 | V | 89.2 | Confident | 88.8 | Confident | 6 Ų | 6 | 43.4 Ų | 43.4 | 4% | 0.036 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.6 | -29.8 | 176.5 | 173.1 | 0 | 0 | 0 | 0 | 112.4 | V642 A643 M653 K656 | V642-V646 WeakPolarHBondContact O-CG2 3.27Å; V642-V646 PolarHBondContact O-N 2.79Å; V642-V646 VanDerWaalsContact O-N 3.1Å; A643-V646 WeakPolarHBondContact O-CB 3.33Å; A643-V646 PolarHBondContact O-N 2.68Å; V646-M653 HydrophobicContact CG1-CB 3.69Å; V646-M653 HydrophobicContact CG1-CG 4.42Å; V646-K656 HydrophobicContact CG1-CB 3.86Å; V646-K656 HydrophobicContact CG1-CD 4.12Å; V646-K656 HydrophobicContact CG1-CG 4Å; V646-K656 HydrophobicContact CG2-CD 4.08Å; V646-K656 HydrophobicContact CG2-CG 4.2Å |
| 647 | L | 87 | Confident | 88.8 | Confident | 7 Ų | 7 | 43.4 Ų | 43.4 | 4% | 0.037 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -76.4 | -26.3 | 172.5 | -68.5 | -179.2 | 0 | 0 | 0 | 113.6 | F107 V116 A643 H644 C645 L649 L654 F657 | F107-L647 HydrophobicContact CD2-CD1 4.44Å; F107-L647 HydrophobicContact CE1-CB 4.25Å; F107-L647 HydrophobicContact CE2-CD1 4.17Å; F107-L647 HydrophobicContact CZ-CB 4.18Å; F107-L647 HydrophobicContact CZ-CD1 4.44Å; V116-L647 HydrophobicContact CB-CD1 4.32Å; V116-L647 HydrophobicContact CG1-CD1 3.95Å; V116-L647 HydrophobicContact CG2-CD1 3.96Å; A643-L647 PolarHBondContact O-N 3.33Å; H644-L647 PolarHBondContact O-N 3.43Å; C645-L647 PolarHBondContact O-N 3.34Å; L647-L649 VanDerWaalsContact C-N 3.3Å; L647-L654 HydrophobicContact CD2-CD2 3.73Å; L647-F657 HydrophobicContact CD1-CD1 4.31Å; L647-F657 HydrophobicContact CD1-CD2 3.36Å; L647-F657 HydrophobicContact CD1-CE1 4.35Å; L647-F657 HydrophobicContact CD1-CE2 3.4Å; L647-F657 HydrophobicContact CD1-CG 3.85Å; L647-F657 HydrophobicContact CD1-CZ 3.91Å; L647-F657 HydrophobicContact CD2-CB 3.79Å; L647-F657 HydrophobicContact CD2-CD1 4.35Å; L647-F657 HydrophobicContact CD2-CD2 4.1Å; L647-F657 HydrophobicContact CD2-CG 3.82Å; L647-F657 HydrophobicContact CG-CB 4.03Å; L647-F657 HydrophobicContact CG-CD2 3.53Å; L647-F657 HydrophobicContact CG-CE2 4.11Å; L647-F657 HydrophobicContact CG-CG 3.79Å |
| 648 | S | 86.6 | Confident | 88.8 | Confident | 43 Ų | 43 | 43.4 Ų | 43.4 | 30% | 0.301 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -82.9 | -3.1 | -179.8 | -52.9 | 0 | 0 | 0 | 0 | 113.7 | M1 Y616 H644 C645 | M1-S648 PolarHBondContact N-OG 3.44Å; M1-S648 VanDerWaalsContact N-OG 3.12Å; Y616-S648 VanDerWaalsContact CD2-O 3.26Å; Y616-S648 WeakPolarHBondContact CD2-O 3.48Å; Y616-S648 WeakPolarHBondContact CE2-O 3.44Å; H644-S648 PolarHBondContact O-N 3.39Å; H644-S648 PolarHBondContact O-OG 2.86Å; C645-S648 PolarHBondContact O-N 3.27Å |
| 649 | L | 87.3 | Confident | 88.7 | Confident | 29 Ų | 29 | 45.1 Ų | 45.1 | 15% | 0.152 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -66.3 | 154.9 | 177.2 | -63.3 | 174.5 | 0 | 0 | 0 | 111.9 | N617 C645 L647 R651 | N617-L649 WeakPolarHBondContact OD1-CD1 3.38Å; N617-L649 WeakPolarHBondContact OD1-CD2 3.3Å; C645-L649 PolarHBondContact O-N 3.28Å; L647-L649 VanDerWaalsContact C-N 3.3Å; L649-R651 CarbonylContact O-C 3.59Å; L649-R651 PolarHBondContact O-N 3.44Å |
| 650 | K | 82.4 | Confident | 88.8 | Confident | 223 Ų | 223 | 45.5 Ų | 45.5 | 97% | 0.97 | 20% | 0.204 | S | C | * | . | S | Bend | trans | -48.7 | -37.9 | 175.1 | -70.4 | -176.3 | 179.6 | 178.6 | 0 | 112.1 | ||
| 651 | R | 83.5 | Confident | 88.8 | Confident | 214 Ų | 214 | 45.5 Ų | 45.5 | 81% | 0.808 | 20% | 0.204 | S | C | * | . | S | Bend | trans | -114.9 | 106.4 | 168.7 | -170.5 | 179.4 | -178.9 | 173.5 | 1.6 | 109.2 | L649 M653 | L649-R651 CarbonylContact O-C 3.59Å; L649-R651 PolarHBondContact O-N 3.44Å; R651-M653 PolarHBondContact O-N 2.98Å |
| 652 | P | 84.7 | Confident | 88.8 | Confident | 58 Ų | 58 | 45.6 Ų | 45.6 | 38% | 0.377 | 21% | 0.205 | S | C | . | . | trans | -66.2 | 131.6 | -179.9 | 26.1 | -33.6 | 0 | 0 | 0 | 110.8 | F107 | F107-P652 HydrophobicContact CD1-CB 4.48Š| ||
| 653 | M | 86.1 | Confident | 88.8 | Confident | 93 Ų | 93 | 46 Ų | 46 | 46% | 0.458 | 21% | 0.207 | S | C | . | . | trans | -106 | 85.9 | -179.2 | -54.7 | 177.8 | 75.8 | 0 | 0 | 111.2 | V646 R651 R655 K656 F657 | V646-M653 HydrophobicContact CG1-CB 3.69Å; V646-M653 HydrophobicContact CG1-CG 4.42Å; R651-M653 PolarHBondContact O-N 2.98Å; M653-R655 VanDerWaalsContact C-N 3.3Å; M653-R655 PolarHBondContact O-N 2.6Å; M653-K656 HydrophobicContact CB-CB 4.06Å; M653-K656 PolarHBondContact O-N 2.67Å; M653-K656 VanDerWaalsContact O-N 3.16Å; M653-K656 HydrophobicContact SD-CD 4.3Å; M653-F657 PolarHBondContact O-N 3.43Å | ||
| 654 | L | 85.7 | Confident | 88.9 | Confident | 16 Ų | 16 | 46 Ų | 46 | 8% | 0.084 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -58.6 | -38.3 | -175.8 | -64.3 | -174 | 0 | 0 | 0 | 113.6 | F107 D109 L647 F657 A658 I687 | F107-L654 HydrophobicContact CB-CD2 4.07Å; D109-L654 HydrophobicContact CB-CD1 3.49Å; D109-L654 VanDerWaalsContact CB-CD1 3.49Å; D109-L654 HydrophobicContact CB-CG 4.41Å; L647-L654 HydrophobicContact CD2-CD2 3.73Å; L654-F657 WeakPolarHBondContact O-CB 3.47Å; L654-F657 PolarHBondContact O-N 3.35Å; L654-A658 WeakPolarHBondContact O-CB 3.46Å; L654-A658 PolarHBondContact O-N 3.42Å; L654-I687 HydrophobicContact CB-CD1 4.39Å |
| 655 | R | 87.7 | Confident | 89.1 | Confident | 160 Ų | 160 | 45.6 Ų | 45.6 | 60% | 0.604 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -59.5 | -51.1 | 175.9 | 177.7 | 166.5 | -176.1 | -172 | 0.6 | 111.2 | M653 F657 A658 F659 W693 | M653-R655 VanDerWaalsContact C-N 3.3Å; M653-R655 PolarHBondContact O-N 2.6Å; R655-F657 VanDerWaalsContact C-N 3.31Å; R655-F657 PolarHBondContact O-N 3.23Å; R655-A658 WeakPolarHBondContact O-CB 3.18Å; R655-A658 PolarHBondContact O-N 3Å; R655-F659 HydrophobicContact CG-CD2 3.88Å; R655-F659 HydrophobicContact CG-CE2 3.73Å; R655-F659 WeakPolarHBondContact O-CD2 3.03Å; R655-F659 PolarHBondContact O-N 3.45Å; R655-F659 VanDerWaalsContact O-N 3.15Å; R655-W693 HydrophobicContact CB-CH2 4.2Å; R655-W693 HydrophobicContact CG-CH2 3.58Å; R655-W693 HydrophobicContact CG-CZ2 3.99Å |
| 656 | K | 88.8 | Confident | 89.2 | Confident | 47 Ų | 47 | 48 Ų | 48 | 20% | 0.204 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65.8 | -35.8 | -178.8 | -174.6 | 173.6 | -174.4 | 172.6 | 0 | 111.3 | V646 M653 R660 | V646-K656 HydrophobicContact CG1-CB 3.86Å; V646-K656 HydrophobicContact CG1-CD 4.12Å; V646-K656 HydrophobicContact CG1-CG 4Å; V646-K656 HydrophobicContact CG2-CD 4.08Å; V646-K656 HydrophobicContact CG2-CG 4.2Å; M653-K656 HydrophobicContact CB-CB 4.06Å; M653-K656 PolarHBondContact O-N 2.67Å; M653-K656 VanDerWaalsContact O-N 3.16Å; M653-K656 HydrophobicContact SD-CD 4.3Å; K656-R660 WeakPolarHBondContact O-CB 3.49Å; K656-R660 VanDerWaalsContact O-CG 3.25Å; K656-R660 WeakPolarHBondContact O-CG 3.45Å; K656-R660 PolarHBondContact O-N 3.07Å; K656-R660 VanDerWaalsContact O-N 3.11Å |
| 657 | F | 91.1 | Very high | 89.3 | Confident | 1 Ų | 1 | 47.9 Ų | 47.9 | 0% | 0.004 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -58.3 | -51.4 | 169.8 | 169.1 | -99.2 | 0 | 0 | 0 | 112.3 | V116 A643 L647 M653 L654 R655 F659 R660 M661 I687 | V116-F657 HydrophobicContact CG1-CE2 4.3Å; V116-F657 HydrophobicContact CG1-CZ 3.99Å; V116-F657 HydrophobicContact CG2-CE1 4.1Å; V116-F657 HydrophobicContact CG2-CZ 3.91Å; A643-F657 HydrophobicContact CB-CD2 3.7Å; A643-F657 HydrophobicContact CB-CE2 4.06Å; A643-F657 WeakPolarHBondContact O-CD2 3.34Å; L647-F657 HydrophobicContact CD1-CD1 4.31Å; L647-F657 HydrophobicContact CD1-CD2 3.36Å; L647-F657 HydrophobicContact CD1-CE1 4.35Å; L647-F657 HydrophobicContact CD1-CE2 3.4Å; L647-F657 HydrophobicContact CD1-CG 3.85Å; L647-F657 HydrophobicContact CD1-CZ 3.91Å; L647-F657 HydrophobicContact CD2-CB 3.79Å; L647-F657 HydrophobicContact CD2-CD1 4.35Å; L647-F657 HydrophobicContact CD2-CD2 4.1Å; L647-F657 HydrophobicContact CD2-CG 3.82Å; L647-F657 HydrophobicContact CG-CB 4.03Å; L647-F657 HydrophobicContact CG-CD2 3.53Å; L647-F657 HydrophobicContact CG-CE2 4.11Å; L647-F657 HydrophobicContact CG-CG 3.79Å; M653-F657 PolarHBondContact O-N 3.43Å; L654-F657 WeakPolarHBondContact O-CB 3.47Å; L654-F657 PolarHBondContact O-N 3.35Å; R655-F657 VanDerWaalsContact C-N 3.31Å; R655-F657 PolarHBondContact O-N 3.23Å; F657-F659 PolarHBondContact O-N 2.96Å; F657-R660 PolarHBondContact O-N 3.41Å; F657-M661 HydrophobicContact CD1-CG 4.34Å; F657-M661 HydrophobicContact CD2-CG 3.88Å; F657-M661 HydrophobicContact CE1-CG 3.93Å; F657-M661 HydrophobicContact CE2-CG 3.41Å; F657-M661 VanDerWaalsContact CE2-CG 3.41Å; F657-M661 HydrophobicContact CE2-SD 3.91Å; F657-M661 HydrophobicContact CG-CG 4.33Å; F657-M661 HydrophobicContact CZ-CG 3.45Å; F657-M661 VanDerWaalsContact CZ-CG 3.45Å; F657-M661 HydrophobicContact CZ-SD 4.23Å; F657-M661 WeakPolarHBondContact O-CB 3.4Å; F657-M661 WeakPolarHBondContact O-CG 3.37Å; F657-M661 PolarHBondContact O-N 3.39Å; F657-I687 HydrophobicContact CD1-CD1 3.59Å; F657-I687 HydrophobicContact CE1-CD1 4Å |
| 658 | A | 89.2 | Confident | 89.5 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -56.8 | -46.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L654 R655 M661 A662 T684 I687 | L654-A658 WeakPolarHBondContact O-CB 3.46Å; L654-A658 PolarHBondContact O-N 3.42Å; R655-A658 WeakPolarHBondContact O-CB 3.18Å; R655-A658 PolarHBondContact O-N 3Å; A658-M661 PolarHBondContact O-N 3.08Å; A658-A662 WeakPolarHBondContact O-CB 3.45Å; A658-A662 PolarHBondContact O-N 3.06Å; A658-T684 HydrophobicContact CB-CG2 3.91Å; A658-T684 WeakPolarHBondContact O-CG2 3.37Å; A658-I687 HydrophobicContact CB-CB 3.97Å; A658-I687 HydrophobicContact CB-CD1 3.9Å; A658-I687 HydrophobicContact CB-CG2 3.77Å |
| 659 | F | 92.2 | Very high | 89.6 | Confident | 36 Ų | 36 | 46.6 Ų | 46.6 | 16% | 0.158 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.7 | -40.6 | 178.3 | -78.6 | -76.6 | 0 | 0 | 0 | 112.5 | R655 F657 A662 L663 W693 L696 | R655-F659 HydrophobicContact CG-CD2 3.88Å; R655-F659 HydrophobicContact CG-CE2 3.73Å; R655-F659 WeakPolarHBondContact O-CD2 3.03Å; R655-F659 PolarHBondContact O-N 3.45Å; R655-F659 VanDerWaalsContact O-N 3.15Å; F657-F659 PolarHBondContact O-N 2.96Å; F659-A662 PolarHBondContact O-N 2.89Å; F659-L663 WeakPolarHBondContact O-CB 3.33Å; F659-L663 PolarHBondContact O-N 3.34Å; F659-W693 HydrophobicContact CE2-CD2 4.49Å; F659-W693 HydrophobicContact CE2-CE3 4.13Å; F659-W693 AromaticContact CE2-CH2 3.75Å; F659-W693 HydrophobicContact CE2-CH2 3.75Å; F659-W693 HydrophobicContact CE2-CZ2 4.09Å; F659-W693 AromaticContact CE2-CZ3 3.74Å; F659-W693 HydrophobicContact CE2-CZ3 3.74Å; F659-W693 HydrophobicContact CZ-CD2 4.16Å; F659-W693 HydrophobicContact CZ-CE3 4Å; F659-W693 HydrophobicContact CZ-CH2 4.37Å; F659-W693 HydrophobicContact CZ-CZ2 4.47Å; F659-W693 HydrophobicContact CZ-CZ3 4.1Å; F659-L696 HydrophobicContact CD1-CD2 4.31Å; F659-L696 HydrophobicContact CE1-CD2 3.84Å; F659-L696 HydrophobicContact CZ-CD2 4.17Å |
| 660 | R | 93.7 | Very high | 89.7 | Confident | 10 Ų | 10 | 50.2 Ų | 50.2 | 4% | 0.038 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -68.3 | -39 | 177.1 | -67.1 | -73.5 | 178.3 | 177.6 | 1.3 | 111.5 | I639 V642 A643 K656 F657 L663 A664 T854 | I639-R660 HydrophobicContact CG2-CB 4.25Å; I639-R660 VanDerWaalsContact CG2-O 3.24Å; I639-R660 WeakPolarHBondContact CG2-O 3.4Å; V642-R660 HydrophobicContact CG1-CG 4.5Å; A643-R660 HydrophobicContact CB-CB 3.72Å; K656-R660 WeakPolarHBondContact O-CB 3.49Å; K656-R660 VanDerWaalsContact O-CG 3.25Å; K656-R660 WeakPolarHBondContact O-CG 3.45Å; K656-R660 PolarHBondContact O-N 3.07Å; K656-R660 VanDerWaalsContact O-N 3.11Å; F657-R660 PolarHBondContact O-N 3.41Å; R660-L663 PolarHBondContact O-N 2.84Å; R660-A664 WeakPolarHBondContact O-CB 3.46Å; R660-A664 PolarHBondContact O-N 3.19Å; R660-T854 VanDerWaalsContact CZ-OG1 3.31Å; R660-T854 PolarHBondContact NE-OG1 2.78Å; R660-T854 PolarHBondContact NH2-O 2.89Å; R660-T854 PolarHBondContact NH2-OG1 3.08Å |
| 661 | M | 92.9 | Very high | 89.9 | Confident | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.8 | -39.7 | 174.3 | -74.5 | -54.4 | -64.8 | 0 | 0 | 112.7 | E640 A643 F657 A658 L663 A664 A665 S683 T684 | E640-M661 HydrophobicContact CG-CE 4.2Å; E640-M661 HydrophobicContact CG-SD 4.03Å; A643-M661 HydrophobicContact CB-CG 3.85Å; A643-M661 HydrophobicContact CB-SD 3.66Å; F657-M661 HydrophobicContact CD1-CG 4.34Å; F657-M661 HydrophobicContact CD2-CG 3.88Å; F657-M661 HydrophobicContact CE1-CG 3.93Å; F657-M661 HydrophobicContact CE2-CG 3.41Å; F657-M661 VanDerWaalsContact CE2-CG 3.41Å; F657-M661 HydrophobicContact CE2-SD 3.91Å; F657-M661 HydrophobicContact CG-CG 4.33Å; F657-M661 HydrophobicContact CZ-CG 3.45Å; F657-M661 VanDerWaalsContact CZ-CG 3.45Å; F657-M661 HydrophobicContact CZ-SD 4.23Å; F657-M661 WeakPolarHBondContact O-CB 3.4Å; F657-M661 WeakPolarHBondContact O-CG 3.37Å; F657-M661 PolarHBondContact O-N 3.39Å; A658-M661 PolarHBondContact O-N 3.08Å; M661-L663 VanDerWaalsContact C-N 3.33Å; M661-A664 PolarHBondContact O-N 3.1Å; M661-A665 WeakPolarHBondContact O-CB 3.46Å; M661-A665 PolarHBondContact O-N 3.29Å; M661-S683 WeakPolarHBondContact CE-OG 3.19Å; M661-T684 VanDerWaalsContact CB-OG1 3.25Å; M661-T684 WeakPolarHBondContact CB-OG1 3.22Å |
| 662 | A | 93 | Very high | 90.1 | Very high | 2 Ų | 2 | 38.8 Ų | 38.8 | 2% | 0.017 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.6 | -40.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | A658 F659 A665 H666 Y681 T684 L696 | A658-A662 WeakPolarHBondContact O-CB 3.45Å; A658-A662 PolarHBondContact O-N 3.06Å; F659-A662 PolarHBondContact O-N 2.89Å; A662-A665 WeakPolarHBondContact O-CB 3.44Å; A662-A665 PolarHBondContact O-N 3.24Å; A662-H666 PolarHBondContact O-N 3.48Å; A662-Y681 HydrophobicContact CB-CE1 4.47Å; A662-T684 HydrophobicContact CB-CG2 4.33Å; A662-L696 HydrophobicContact CB-CD1 4.24Å |
| 663 | L | 92.8 | Very high | 90.2 | Very high | 10 Ų | 10 | 36.7 Ų | 36.7 | 5% | 0.052 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -65.6 | -44.1 | 176 | -177.9 | 59.7 | 0 | 0 | 0 | 111.9 | I639 F659 R660 M661 A665 H666 R667 M851 | I639-L663 HydrophobicContact CD1-CD2 3.9Å; I639-L663 HydrophobicContact CD1-CG 3.99Å; I639-L663 HydrophobicContact CG2-CB 4.27Å; I639-L663 HydrophobicContact CG2-CD2 4.24Å; I639-L663 HydrophobicContact CG2-CG 4.31Å; F659-L663 WeakPolarHBondContact O-CB 3.33Å; F659-L663 PolarHBondContact O-N 3.34Å; R660-L663 PolarHBondContact O-N 2.84Å; M661-L663 VanDerWaalsContact C-N 3.33Å; L663-A665 VanDerWaalsContact C-N 3.31Å; L663-A665 PolarHBondContact O-N 3.24Å; L663-H666 WeakPolarHBondContact O-CB 3.22Å; L663-H666 PolarHBondContact O-N 2.92Å; L663-R667 WeakPolarHBondContact O-CG 3.49Å; L663-R667 PolarHBondContact O-N 2.98Å; L663-M851 HydrophobicContact CB-SD 3.66Å; L663-M851 HydrophobicContact CD1-CB 3.97Å; L663-M851 HydrophobicContact CD1-CE 3.9Å; L663-M851 HydrophobicContact CD1-CG 4.39Å; L663-M851 HydrophobicContact CD1-SD 3.68Å; L663-M851 HydrophobicContact CD2-CB 4.29Å; L663-M851 HydrophobicContact CG-SD 4.2Å |
| 664 | A | 93.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -59 | -44 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111 | I639 E640 R660 M661 H666 R667 Y668 | I639-A664 HydrophobicContact CB-CB 4.22Å; I639-A664 HydrophobicContact CG2-CB 4.01Å; E640-A664 HydrophobicContact CB-CB 4.12Å; R660-A664 WeakPolarHBondContact O-CB 3.46Å; R660-A664 PolarHBondContact O-N 3.19Å; M661-A664 PolarHBondContact O-N 3.1Å; A664-H666 VanDerWaalsContact C-N 3.32Å; A664-H666 PolarHBondContact O-N 3.42Å; A664-R667 PolarHBondContact O-N 3.25Å; A664-Y668 HydrophobicContact CB-CE2 4.29Å; A664-Y668 WeakPolarHBondContact O-CD2 3.4Å; A664-Y668 PolarHBondContact O-N 2.97Å |
| 665 | A | 92.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60 | -40.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | M661 A662 L663 Y668 A669 A677 Y681 | M661-A665 WeakPolarHBondContact O-CB 3.46Å; M661-A665 PolarHBondContact O-N 3.29Å; A662-A665 WeakPolarHBondContact O-CB 3.44Å; A662-A665 PolarHBondContact O-N 3.24Å; L663-A665 VanDerWaalsContact C-N 3.31Å; L663-A665 PolarHBondContact O-N 3.24Å; A665-Y668 PolarHBondContact O-N 2.82Å; A665-A669 PolarHBondContact O-N 3.27Å; A665-A677 WeakPolarHBondContact O-CB 3.18Å; A665-Y681 HydrophobicContact CB-CD1 3.54Å; A665-Y681 HydrophobicContact CB-CD2 3.64Å; A665-Y681 HydrophobicContact CB-CE1 3.5Å; A665-Y681 VanDerWaalsContact CB-CE1 3.5Å; A665-Y681 HydrophobicContact CB-CE2 3.57Å; A665-Y681 HydrophobicContact CB-CG 3.61Å; A665-Y681 VanDerWaalsContact CB-CZ 3.5Å |
| 666 | H | 93.1 | Very high | 90.1 | Very high | 52 Ų | 52 | 26.9 Ų | 26.9 | 24% | 0.241 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -63.2 | -45.5 | 174.8 | -179 | 74.7 | 0 | 0 | 0 | 112 | A662 L663 A664 A669 R670 Y681 | A662-H666 PolarHBondContact O-N 3.48Å; L663-H666 WeakPolarHBondContact O-CB 3.22Å; L663-H666 PolarHBondContact O-N 2.92Å; A664-H666 VanDerWaalsContact C-N 3.32Å; A664-H666 PolarHBondContact O-N 3.42Å; H666-A669 WeakPolarHBondContact O-CB 3.43Å; H666-A669 PolarHBondContact O-N 3.44Å; H666-R670 PolarHBondContact O-N 3.19Å; H666-R670 VanDerWaalsContact O-N 3.1Å; H666-Y681 WeakPolarHBondContact CA-OH 3.46Å; H666-Y681 PolarHBondContact N-OH 3.11Å |
| 667 | R | 91.3 | Very high | 90.2 | Very high | 3 Ų | 3 | 24.7 Ų | 24.7 | 1% | 0.011 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -62.3 | -41.5 | 175.6 | -67.1 | -69 | -175 | 173.4 | 3.6 | 111.7 | D629 D632 I639 L663 A664 A669 R670 A671 H848 E852 | D629-R667 IonicContact OD1-CZ 2.85Å; D629-R667 IonicContact OD1-NH1 3.35Å; D629-R667 PolarHBondContact OD1-NH1 2.95Å; D629-R667 IonicContact OD1-NH2 2.8Å; D629-R667 PolarHBondContact OD1-NH2 3.02Å; D632-R667 WeakPolarHBondContact O-CB 3.44Å; D632-R667 VanDerWaalsContact OD1-CD 3.28Å; D632-R667 WeakPolarHBondContact OD1-CD 3.49Å; D632-R667 IonicContact OD1-CZ 3.76Å; D632-R667 IonicContact OD1-NH1 3.88Å; D632-R667 PolarHBondContact OD1-NH1 3.44Å; I639-R667 HydrophobicContact CD1-CG 4.24Å; L663-R667 WeakPolarHBondContact O-CG 3.49Å; L663-R667 PolarHBondContact O-N 2.98Å; A664-R667 PolarHBondContact O-N 3.25Å; R667-A669 PolarHBondContact O-N 3.3Å; R667-R670 PolarHBondContact O-N 2.93Å; R667-A671 WeakPolarHBondContact O-CB 3.21Å; R667-A671 PolarHBondContact O-N 2.94Å; R667-H848 PolarHBondContact NH1-NE2 3.46Å; R667-H848 PolarHBondContact NH2-NE2 3.19Å; R667-E852 IonicContact NH2-OE1 2.56Å |
| 668 | Y | 91.6 | Very high | 90 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -61.8 | -39.9 | 173.6 | -71.5 | -44.7 | 0 | 0 | 0 | 113.3 | L633 L637 E640 A664 A665 R670 A671 K672 Q673 L676 | L633-Y668 HydrophobicContact CD1-CD1 4.34Å; L633-Y668 HydrophobicContact CD1-CE1 4.34Å; L637-Y668 WeakPolarHBondContact CA-OH 3.1Å; L637-Y668 HydrophobicContact CD2-CE1 4.31Å; L637-Y668 WeakPolarHBondContact CD2-OH 2.97Å; L637-Y668 HydrophobicContact CG-CE1 4.13Å; L637-Y668 PolarHBondContact N-OH 2.91Å; E640-Y668 PolarHBondContact OE2-OH 3.16Å; A664-Y668 HydrophobicContact CB-CE2 4.29Å; A664-Y668 WeakPolarHBondContact O-CD2 3.4Å; A664-Y668 PolarHBondContact O-N 2.97Å; A665-Y668 PolarHBondContact O-N 2.82Å; Y668-R670 VanDerWaalsContact C-N 3.34Å; Y668-R670 PolarHBondContact O-N 2.83Å; Y668-A671 CarbonylContact O-C 3.54Å; Y668-A671 PolarHBondContact O-N 3.42Å; Y668-K672 PolarHBondContact O-N 2.88Å; Y668-Q673 PolarHBondContact O-N 3.17Å; Y668-L676 HydrophobicContact CD1-CB 4.14Å; Y668-L676 HydrophobicContact CD1-CD1 3.97Å; Y668-L676 HydrophobicContact CD2-CB 3.8Å; Y668-L676 HydrophobicContact CE1-CB 4.49Å; Y668-L676 HydrophobicContact CE1-CD1 3.76Å; Y668-L676 HydrophobicContact CE2-CB 4.15Å; Y668-L676 HydrophobicContact CG-CB 3.79Å; Y668-L676 HydrophobicContact CG-CD1 4.45Å |
| 669 | A | 89.3 | Confident | 90 | Very high | 23 Ų | 23 | 27.5 Ų | 27.5 | 19% | 0.19 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -61.8 | -42.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | A665 H666 R667 K672 A677 Q707 | A665-A669 PolarHBondContact O-N 3.27Å; H666-A669 WeakPolarHBondContact O-CB 3.43Å; H666-A669 PolarHBondContact O-N 3.44Å; R667-A669 PolarHBondContact O-N 3.3Å; A669-K672 PolarHBondContact O-N 3.19Å; A669-A677 HydrophobicContact CB-CB 4.14Å; A669-Q707 HydrophobicContact CB-CG 4.47Å |
| 670 | R | 89.5 | Confident | 89.9 | Confident | 105 Ų | 105 | 25.8 Ų | 25.8 | 40% | 0.396 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -65.4 | -37.3 | 174.3 | -71.5 | 178.8 | 50.9 | 169.3 | -11.8 | 112.6 | D632 H666 R667 Y668 K672 H848 | D632-R670 HydrophobicContact CB-CB 4.11Å; D632-R670 VanDerWaalsContact CG-NE 3.28Å; D632-R670 IonicContact OD1-CZ 2.84Å; D632-R670 IonicContact OD1-NE 2.73Å; D632-R670 PolarHBondContact OD1-NE 3.18Å; D632-R670 IonicContact OD1-NH1 3.9Å; D632-R670 IonicContact OD1-NH2 3.91Å; D632-R670 PolarHBondContact OD1-NH2 3.44Å; D632-R670 WeakPolarHBondContact OD2-CB 3.44Å; D632-R670 IonicContact OD2-CZ 3.88Å; D632-R670 IonicContact OD2-NE 2.93Å; D632-R670 PolarHBondContact OD2-NE 2.84Å; D632-R670 IonicContact OD2-NH2 3.09Å; D632-R670 PolarHBondContact OD2-NH2 2.86Å; H666-R670 PolarHBondContact O-N 3.19Å; H666-R670 VanDerWaalsContact O-N 3.1Å; R667-R670 PolarHBondContact O-N 2.93Å; Y668-R670 VanDerWaalsContact C-N 3.34Å; Y668-R670 PolarHBondContact O-N 2.83Å; R670-K672 PolarHBondContact O-N 3.01Å; R670-K672 VanDerWaalsContact O-N 3.1Å; R670-H848 PolarHBondContact NH1-CE1 3.41Å; R670-H848 PolarHBondContact NH1-NE2 3.44Å; R670-H848 VanDerWaalsContact NH1-NE2 3.19Å |
| 671 | A | 86.1 | Confident | 89.8 | Confident | 17 Ų | 17 | 25.3 Ų | 25.3 | 14% | 0.14 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | 5.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | D632 L633 R667 Y668 Q673 | D632-A671 HydrophobicContact CB-CB 4.2Å; L633-A671 HydrophobicContact CB-CB 3.93Å; L633-A671 HydrophobicContact CD1-CB 4.23Å; R667-A671 WeakPolarHBondContact O-CB 3.21Å; R667-A671 PolarHBondContact O-N 2.94Å; Y668-A671 CarbonylContact O-C 3.54Å; Y668-A671 PolarHBondContact O-N 3.42Å; A671-Q673 VanDerWaalsContact C-N 3.28Å; A671-Q673 HydrophobicContact CB-CG 4.32Å; A671-Q673 PolarHBondContact O-N 2.8Å |
| 672 | K | 87.4 | Confident | 89.6 | Confident | 181 Ų | 181 | 30.8 Ų | 30.8 | 79% | 0.787 | 14% | 0.143 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.4 | 36.7 | -177.1 | -54.4 | 179.1 | -179.1 | 178.2 | 0 | 112.9 | Y668 A669 R670 P674 | Y668-K672 PolarHBondContact O-N 2.88Å; A669-K672 PolarHBondContact O-N 3.19Å; R670-K672 PolarHBondContact O-N 3.01Å; R670-K672 VanDerWaalsContact O-N 3.1Å; K672-P674 VanDerWaalsContact O-CD 3.22Å; K672-P674 WeakPolarHBondContact O-CD 3.18Å |
| 673 | Q | 86.2 | Confident | 89.2 | Confident | 13 Ų | 13 | 31.6 Ų | 31.6 | 6% | 0.061 | 15% | 0.149 | C | C | . | . | trans | -110.8 | 79.7 | 176.1 | -63 | -61.8 | -27.9 | 0 | 0 | 110.2 | L633 Y668 A671 I675 L676 A677 | L633-Q673 HydrophobicContact CD1-CG 3.96Å; Y668-Q673 PolarHBondContact O-N 3.17Å; A671-Q673 VanDerWaalsContact C-N 3.28Å; A671-Q673 HydrophobicContact CB-CG 4.32Å; A671-Q673 PolarHBondContact O-N 2.8Å; Q673-I675 PolarHBondContact O-N 2.92Å; Q673-L676 HydrophobicContact CB-CB 4.31Å; Q673-L676 HydrophobicContact CB-CD1 4.43Å; Q673-A677 WeakPolarHBondContact O-CB 3.35Å; Q673-A677 PolarHBondContact O-N 3.42Å; Q673-A677 VanDerWaalsContact O-N 3.11Å | ||
| 674 | P | 85.9 | Confident | 89 | Confident | 23 Ų | 23 | 31.1 Ų | 31.1 | 15% | 0.149 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -68.2 | -35.2 | -171.7 | 28 | -36.1 | 0 | 0 | 0 | 112.8 | K672 A677 I678 Q707 I711 | K672-P674 VanDerWaalsContact O-CD 3.22Å; K672-P674 WeakPolarHBondContact O-CD 3.18Å; P674-A677 PolarHBondContact O-N 2.94Å; P674-I678 VanDerWaalsContact O-CG1 3.27Å; P674-I678 WeakPolarHBondContact O-CG1 3.31Å; P674-I678 PolarHBondContact O-N 3.21Å; P674-Q707 HydrophobicContact CB-CB 4.01Å; P674-Q707 VanDerWaalsContact CB-OE1 3.32Å; P674-I711 HydrophobicContact CB-CD1 3.96Å; P674-I711 HydrophobicContact CB-CG1 3.8Å; P674-I711 HydrophobicContact CG-CD1 4.23Å; P674-I711 HydrophobicContact CG-CG1 3.77Å |
| 675 | I | 85.8 | Confident | 88.6 | Confident | 41 Ų | 41 | 32.5 Ų | 32.5 | 21% | 0.21 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.3 | -50.2 | -179.3 | -69.6 | 160.4 | 0 | 0 | 0 | 110.3 | N94 T98 Q673 A677 I678 R679 I711 | N94-I675 WeakPolarHBondContact OD1-CD1 3.34Å; T98-I675 HydrophobicContact CG2-CD1 3.84Å; T98-I675 HydrophobicContact CG2-CG2 4.2Å; Q673-I675 PolarHBondContact O-N 2.92Å; I675-A677 PolarHBondContact O-N 3.44Å; I675-I678 PolarHBondContact O-N 2.93Å; I675-R679 WeakPolarHBondContact O-CB 3.28Å; I675-R679 PolarHBondContact O-N 3.48Å; I675-I711 HydrophobicContact CG1-CD1 3.67Å; I675-I711 HydrophobicContact CG1-CG1 4.34Å |
| 676 | L | 86.4 | Confident | 88.2 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.9 | -39.8 | 176.7 | -80.3 | 177 | 0 | 0 | 0 | 113 | V93 S97 W122 Y668 Q673 R679 S680 | V93-L676 HydrophobicContact CG1-CD1 3.37Å; S97-L676 WeakPolarHBondContact OG-CD2 3.45Å; S97-L676 WeakPolarHBondContact OG-CG 3.36Å; W122-L676 HydrophobicContact CD2-CD2 4.02Å; W122-L676 HydrophobicContact CG-CD2 4.28Å; W122-L676 HydrophobicContact CZ2-CD2 4.26Å; Y668-L676 HydrophobicContact CD1-CB 4.14Å; Y668-L676 HydrophobicContact CD1-CD1 3.97Å; Y668-L676 HydrophobicContact CD2-CB 3.8Å; Y668-L676 HydrophobicContact CE1-CB 4.49Å; Y668-L676 HydrophobicContact CE1-CD1 3.76Å; Y668-L676 HydrophobicContact CE2-CB 4.15Å; Y668-L676 HydrophobicContact CG-CB 3.79Å; Y668-L676 HydrophobicContact CG-CD1 4.45Å; Q673-L676 HydrophobicContact CB-CB 4.31Å; Q673-L676 HydrophobicContact CB-CD1 4.43Å; L676-R679 PolarHBondContact O-N 3.36Å; L676-S680 VanDerWaalsContact O-CB 3.27Å; L676-S680 WeakPolarHBondContact O-CB 3.43Å; L676-S680 PolarHBondContact O-N 2.93Å; L676-S680 PolarHBondContact O-OG 3.01Å |
| 677 | A | 90.1 | Very high | 87.7 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.7 | -49.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | A665 A669 Q673 P674 I675 R679 S680 Y681 Q707 | A665-A677 WeakPolarHBondContact O-CB 3.18Å; A669-A677 HydrophobicContact CB-CB 4.14Å; Q673-A677 WeakPolarHBondContact O-CB 3.35Å; Q673-A677 PolarHBondContact O-N 3.42Å; Q673-A677 VanDerWaalsContact O-N 3.11Å; P674-A677 PolarHBondContact O-N 2.94Å; I675-A677 PolarHBondContact O-N 3.44Å; A677-R679 PolarHBondContact O-N 3.37Å; A677-S680 PolarHBondContact O-N 3.15Å; A677-Y681 WeakPolarHBondContact O-CB 3.25Å; A677-Y681 WeakPolarHBondContact O-CD2 3.35Å; A677-Y681 PolarHBondContact O-N 3.28Å; A677-Q707 HydrophobicContact CB-CG 4Å |
| 678 | I | 88.4 | Confident | 87.2 | Confident | 15 Ų | 15 | 32.8 Ų | 32.8 | 8% | 0.077 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.5 | -44.9 | 178.2 | -67.1 | 169.6 | 0 | 0 | 0 | 111.1 | P674 I675 S680 Y681 K682 V704 Q707 A708 I711 | P674-I678 VanDerWaalsContact O-CG1 3.27Å; P674-I678 WeakPolarHBondContact O-CG1 3.31Å; P674-I678 PolarHBondContact O-N 3.21Å; I675-I678 PolarHBondContact O-N 2.93Å; I678-S680 PolarHBondContact O-N 3.09Å; I678-Y681 PolarHBondContact O-N 2.96Å; I678-K682 HydrophobicContact CG2-CD 3.8Å; I678-K682 VanDerWaalsContact CG2-CE 3.5Å; I678-K682 HydrophobicContact CG2-CG 4.17Å; I678-K682 WeakPolarHBondContact O-CB 3.27Å; I678-K682 VanDerWaalsContact O-CG 3.31Å; I678-K682 WeakPolarHBondContact O-CG 3.38Å; I678-K682 PolarHBondContact O-N 2.93Å; I678-V704 HydrophobicContact CG2-CG1 4.39Å; I678-Q707 HydrophobicContact CD1-CB 3.82Å; I678-Q707 HydrophobicContact CG1-CB 3.55Å; I678-A708 HydrophobicContact CD1-CB 4.07Å; I678-I711 HydrophobicContact CD1-CD1 3.44Å; I678-I711 VanDerWaalsContact CD1-CD1 3.44Å |
| 679 | R | 88.7 | Confident | 86.4 | Confident | 46 Ų | 46 | 37.2 Ų | 37.2 | 17% | 0.174 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -56.5 | -50.2 | 177.9 | -170.3 | -164.1 | 95.4 | 87.5 | 6.9 | 111.3 | E640 I675 L676 A677 K682 S683 | E640-R679 IonicContact OE1-CZ 3.36Å; E640-R679 IonicContact OE1-NE 3.7Å; E640-R679 IonicContact OE1-NH2 2.71Å; E640-R679 PolarHBondContact OE1-NH2 3.28Å; I675-R679 WeakPolarHBondContact O-CB 3.28Å; I675-R679 PolarHBondContact O-N 3.48Å; L676-R679 PolarHBondContact O-N 3.36Å; A677-R679 PolarHBondContact O-N 3.37Å; R679-K682 PolarHBondContact O-N 3.42Å; R679-S683 PolarHBondContact O-N 3.02Å |
| 680 | S | 88.8 | Confident | 85.4 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.4 | -43.3 | -178.7 | -59.2 | 0 | 0 | 0 | 0 | 111.5 | L676 A677 I678 S683 T684 | L676-S680 VanDerWaalsContact O-CB 3.27Å; L676-S680 WeakPolarHBondContact O-CB 3.43Å; L676-S680 PolarHBondContact O-N 2.93Å; L676-S680 PolarHBondContact O-OG 3.01Å; A677-S680 PolarHBondContact O-N 3.15Å; I678-S680 PolarHBondContact O-N 3.09Å; S680-S683 PolarHBondContact O-N 2.79Å; S680-S683 PolarHBondContact O-OG 3.42Å; S680-T684 PolarHBondContact O-N 2.67Å; S680-T684 PolarHBondContact O-OG1 3.18Å |
| 681 | Y | 92.3 | Very high | 84.5 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.6 | -44.6 | 174.1 | -81.8 | -45.3 | 0 | 0 | 0 | 113.2 | A662 A665 H666 A677 I678 S683 T684 M685 H699 I700 S703 V704 | A662-Y681 HydrophobicContact CB-CE1 4.47Å; A665-Y681 HydrophobicContact CB-CD1 3.54Å; A665-Y681 HydrophobicContact CB-CD2 3.64Å; A665-Y681 HydrophobicContact CB-CE1 3.5Å; A665-Y681 VanDerWaalsContact CB-CE1 3.5Å; A665-Y681 HydrophobicContact CB-CE2 3.57Å; A665-Y681 HydrophobicContact CB-CG 3.61Å; A665-Y681 VanDerWaalsContact CB-CZ 3.5Å; H666-Y681 WeakPolarHBondContact CA-OH 3.46Å; H666-Y681 PolarHBondContact N-OH 3.11Å; A677-Y681 WeakPolarHBondContact O-CB 3.25Å; A677-Y681 WeakPolarHBondContact O-CD2 3.35Å; A677-Y681 PolarHBondContact O-N 3.28Å; I678-Y681 PolarHBondContact O-N 2.96Å; Y681-S683 VanDerWaalsContact C-N 3.29Å; Y681-S683 PolarHBondContact O-N 3.3Å; Y681-T684 WeakPolarHBondContact O-CB 3.13Å; Y681-T684 PolarHBondContact O-N 3.36Å; Y681-M685 PolarHBondContact O-N 2.89Å; Y681-M685 VanDerWaalsContact O-N 3.12Å; Y681-H699 PolarHBondContact OH-NE2 3.14Å; Y681-I700 HydrophobicContact CD1-CB 4.14Å; Y681-I700 HydrophobicContact CD1-CG1 3.72Å; Y681-I700 HydrophobicContact CD1-CG2 3.84Å; Y681-I700 HydrophobicContact CE1-CG1 4.05Å; Y681-I700 HydrophobicContact CG-CG2 4.03Å; Y681-S703 VanDerWaalsContact CE2-CB 3.43Å; Y681-V704 VanDerWaalsContact CB-CG2 3.44Å; Y681-V704 HydrophobicContact CD2-CG2 3.98Å; Y681-V704 HydrophobicContact CG-CG2 3.97Å |
| 682 | K | 88.1 | Confident | 83.7 | Confident | 115 Ų | 115 | 40.7 Ų | 40.7 | 50% | 0.5 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -61.3 | -36.9 | 176.3 | -77.9 | -179.5 | 177.8 | 176 | 0 | 112 | I678 R679 T684 M685 P686 | I678-K682 HydrophobicContact CG2-CD 3.8Å; I678-K682 VanDerWaalsContact CG2-CE 3.5Å; I678-K682 HydrophobicContact CG2-CG 4.17Å; I678-K682 WeakPolarHBondContact O-CB 3.27Å; I678-K682 VanDerWaalsContact O-CG 3.31Å; I678-K682 WeakPolarHBondContact O-CG 3.38Å; I678-K682 PolarHBondContact O-N 2.93Å; R679-K682 PolarHBondContact O-N 3.42Å; K682-T684 PolarHBondContact O-N 2.68Å; K682-M685 PolarHBondContact O-N 3.45Å; K682-P686 VanDerWaalsContact O-CD 3.29Å; K682-P686 WeakPolarHBondContact O-CD 3.27Å |
| 683 | S | 85.2 | Confident | 83.4 | Confident | 19 Ų | 19 | 34.4 Ų | 34.4 | 13% | 0.133 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -66.2 | -24.8 | 175.3 | 77.9 | 0 | 0 | 0 | 0 | 113.3 | M661 R679 S680 Y681 | M661-S683 WeakPolarHBondContact CE-OG 3.19Å; R679-S683 PolarHBondContact O-N 3.02Å; S680-S683 PolarHBondContact O-N 2.79Å; S680-S683 PolarHBondContact O-OG 3.42Å; Y681-S683 VanDerWaalsContact C-N 3.29Å; Y681-S683 PolarHBondContact O-N 3.3Å |
| 684 | T | 88.3 | Confident | 83.1 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -83.4 | -33.3 | 179.9 | -58.2 | 0 | 0 | 0 | 0 | 112.2 | A658 M661 A662 S680 Y681 K682 P686 I687 V688 I700 | A658-T684 HydrophobicContact CB-CG2 3.91Å; A658-T684 WeakPolarHBondContact O-CG2 3.37Å; M661-T684 VanDerWaalsContact CB-OG1 3.25Å; M661-T684 WeakPolarHBondContact CB-OG1 3.22Å; A662-T684 HydrophobicContact CB-CG2 4.33Å; S680-T684 PolarHBondContact O-N 2.67Å; S680-T684 PolarHBondContact O-OG1 3.18Å; Y681-T684 WeakPolarHBondContact O-CB 3.13Å; Y681-T684 PolarHBondContact O-N 3.36Å; K682-T684 PolarHBondContact O-N 2.68Å; T684-P686 VanDerWaalsContact C-CD 3.49Å; T684-I687 PolarHBondContact O-N 3.2Å; T684-V688 HydrophobicContact CG2-CG2 3.61Å; T684-V688 PolarHBondContact O-N 3.36Å; T684-I700 HydrophobicContact CG2-CD1 3.7Å |
| 685 | M | 86.3 | Confident | 83 | Confident | 29 Ų | 29 | 37.5 Ų | 37.5 | 14% | 0.143 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -53.6 | -44.9 | -171.9 | -166.7 | 64.1 | 82.1 | 0 | 0 | 115.1 | Y681 K682 I687 V688 M689 I700 N701 | Y681-M685 PolarHBondContact O-N 2.89Å; Y681-M685 VanDerWaalsContact O-N 3.12Å; K682-M685 PolarHBondContact O-N 3.45Å; M685-I687 PolarHBondContact O-N 2.92Å; M685-I687 VanDerWaalsContact O-N 3.11Å; M685-V688 PolarHBondContact O-N 3.46Å; M685-V688 VanDerWaalsContact O-N 3.12Å; M685-M689 HydrophobicContact CG-CE 3.92Å; M685-M689 HydrophobicContact CG-CG 4Å; M685-M689 HydrophobicContact CG-SD 3.91Å; M685-M689 WeakPolarHBondContact O-CG 3.21Å; M685-M689 PolarHBondContact O-N 2.94Å; M685-M689 HydrophobicContact SD-CG 4Å; M685-M689 HydrophobicContact SD-SD 4.45Å; M685-I700 HydrophobicContact CE-CB 4.12Å; M685-I700 HydrophobicContact CE-CG2 3.37Å; M685-I700 HydrophobicContact SD-CG2 4.42Å; M685-N701 WeakPolarHBondContact CE-OD1 3.19Å |
| 686 | P | 82.8 | Confident | 83 | Confident | 54 Ų | 54 | 36.6 Ų | 36.6 | 35% | 0.351 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -60.7 | -25.1 | 179.7 | -23.1 | 34.3 | 0 | 0 | 0 | 113.9 | K682 T684 | K682-P686 VanDerWaalsContact O-CD 3.29Å; K682-P686 WeakPolarHBondContact O-CD 3.27Å; T684-P686 VanDerWaalsContact C-CD 3.49Å |
| 687 | I | 83 | Confident | 83 | Confident | 7 Ų | 7 | 38 Ų | 38 | 4% | 0.036 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -84.2 | -40.8 | 177.8 | -57.2 | 168.4 | 0 | 0 | 0 | 109.8 | V114 L654 F657 A658 T684 M685 H691 | V114-I687 HydrophobicContact CG1-CD1 4.33Å; V114-I687 HydrophobicContact CG1-CG1 4.45Å; V114-I687 HydrophobicContact CG2-CD1 3.83Å; V114-I687 HydrophobicContact CG2-CG1 3.35Å; L654-I687 HydrophobicContact CB-CD1 4.39Å; F657-I687 HydrophobicContact CD1-CD1 3.59Å; F657-I687 HydrophobicContact CE1-CD1 4Å; A658-I687 HydrophobicContact CB-CB 3.97Å; A658-I687 HydrophobicContact CB-CD1 3.9Å; A658-I687 HydrophobicContact CB-CG2 3.77Å; T684-I687 PolarHBondContact O-N 3.2Å; M685-I687 PolarHBondContact O-N 2.92Å; M685-I687 VanDerWaalsContact O-N 3.11Å; I687-H691 PolarHBondContact O-CE1 2.98Å; I687-H691 PolarHBondContact O-ND1 3.39Å |
| 688 | V | 81.8 | Confident | 82.9 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -72.3 | -36.8 | -175.5 | 177.6 | 0 | 0 | 0 | 0 | 111.9 | T684 M685 G690 H691 W693 L696 E697 I700 | T684-V688 HydrophobicContact CG2-CG2 3.61Å; T684-V688 PolarHBondContact O-N 3.36Å; M685-V688 PolarHBondContact O-N 3.46Å; M685-V688 VanDerWaalsContact O-N 3.12Å; V688-G690 PolarHBondContact O-N 3.47Å; V688-H691 PolarHBondContact O-N 3.34Å; V688-W693 HydrophobicContact CB-CE3 4.43Å; V688-W693 HydrophobicContact CG1-CB 4.22Å; V688-W693 HydrophobicContact CG1-CE3 4.33Å; V688-W693 HydrophobicContact CG2-CE3 4.07Å; V688-W693 HydrophobicContact CG2-CZ3 4.35Å; V688-L696 HydrophobicContact CG1-CB 4.26Å; V688-L696 HydrophobicContact CG1-CD2 4.16Å; V688-L696 HydrophobicContact CG1-CG 4.14Å; V688-L696 HydrophobicContact CG2-CD2 3.57Å; V688-L696 HydrophobicContact CG2-CG 4.13Å; V688-E697 HydrophobicContact CG1-CB 4.09Å; V688-I700 HydrophobicContact CG2-CD1 3.93Å |
| 689 | M | 74.3 | Confident | 83 | Confident | 93 Ų | 93 | 40.2 Ų | 40.2 | 46% | 0.458 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | 122.4 | 179.9 | -71.8 | -172.1 | -63.2 | 0 | 0 | 111.4 | R112 M685 | R112-M689 PolarHBondContact NH1-O 2.79Å; M685-M689 HydrophobicContact CG-CE 3.92Å; M685-M689 HydrophobicContact CG-CG 4Å; M685-M689 HydrophobicContact CG-SD 3.91Å; M685-M689 WeakPolarHBondContact O-CG 3.21Å; M685-M689 PolarHBondContact O-N 2.94Å; M685-M689 HydrophobicContact SD-CG 4Å; M685-M689 HydrophobicContact SD-SD 4.45Å |
| 690 | G | 67.4 | Low | 83 | Confident | 60 Ų | 60 | 38 Ų | 38 | 62% | 0.619 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 82.8 | 13.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | R112 V688 | R112-G690 PolarHBondContact NH2-O 2.7Å; V688-G690 PolarHBondContact O-N 3.47Å |
| 691 | H | 70.8 | Confident | 83.2 | Confident | 94 Ų | 94 | 38.6 Ų | 38.6 | 44% | 0.435 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | -2.9 | 169.5 | -77.5 | 102.9 | 0 | 0 | 0 | 114.2 | R112 I687 V688 W693 | R112-H691 PolarHBondContact NH1-CE1 3.44Å; R112-H691 PolarHBondContact NH1-ND1 3.29Å; R112-H691 PolarHBondContact NH1-NE2 3.44Å; I687-H691 PolarHBondContact O-CE1 2.98Å; I687-H691 PolarHBondContact O-ND1 3.39Å; V688-H691 PolarHBondContact O-N 3.34Å; H691-W693 VanDerWaalsContact C-N 3.32Å; H691-W693 HydrophobicContact CB-CD2 3.97Å; H691-W693 HydrophobicContact CB-CE3 4.41Å; H691-W693 HydrophobicContact CB-CG 4.24Å; H691-W693 HydrophobicContact CB-CZ2 4.2Å |
| 692 | G | 68.7 | Low | 83.1 | Confident | 65 Ų | 65 | 39.9 Ų | 39.9 | 67% | 0.67 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 78.8 | 11.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | S694 | G692-S694 PolarHBondContact O-N 3.27Š|
| 693 | W | 82.1 | Confident | 83.3 | Confident | 49 Ų | 49 | 35.1 Ų | 35.1 | 19% | 0.186 | 21% | 0.209 | C | C | . | . | trans | -81.5 | 53.8 | 174.3 | -55.4 | -18.8 | 0 | 0 | 0 | 111.6 | R655 F659 V688 H691 L695 L696 E697 | R655-W693 HydrophobicContact CB-CH2 4.2Å; R655-W693 HydrophobicContact CG-CH2 3.58Å; R655-W693 HydrophobicContact CG-CZ2 3.99Å; F659-W693 HydrophobicContact CE2-CD2 4.49Å; F659-W693 HydrophobicContact CE2-CE3 4.13Å; F659-W693 AromaticContact CE2-CH2 3.75Å; F659-W693 HydrophobicContact CE2-CH2 3.75Å; F659-W693 HydrophobicContact CE2-CZ2 4.09Å; F659-W693 AromaticContact CE2-CZ3 3.74Å; F659-W693 HydrophobicContact CE2-CZ3 3.74Å; F659-W693 HydrophobicContact CZ-CD2 4.16Å; F659-W693 HydrophobicContact CZ-CE3 4Å; F659-W693 HydrophobicContact CZ-CH2 4.37Å; F659-W693 HydrophobicContact CZ-CZ2 4.47Å; F659-W693 HydrophobicContact CZ-CZ3 4.1Å; V688-W693 HydrophobicContact CB-CE3 4.43Å; V688-W693 HydrophobicContact CG1-CB 4.22Å; V688-W693 HydrophobicContact CG1-CE3 4.33Å; V688-W693 HydrophobicContact CG2-CE3 4.07Å; V688-W693 HydrophobicContact CG2-CZ3 4.35Å; H691-W693 VanDerWaalsContact C-N 3.32Å; H691-W693 HydrophobicContact CB-CD2 3.97Å; H691-W693 HydrophobicContact CB-CE3 4.41Å; H691-W693 HydrophobicContact CB-CG 4.24Å; H691-W693 HydrophobicContact CB-CZ2 4.2Å; W693-L695 PolarHBondContact O-N 3.36Å; W693-L695 VanDerWaalsContact O-N 3.16Å; W693-L696 HydrophobicContact CB-CB 4.11Å; W693-L696 HydrophobicContact CE3-CD2 3.98Å; W693-L696 WeakPolarHBondContact O-CB 3.36Å; W693-L696 PolarHBondContact O-N 3.41Å; W693-E697 PolarHBondContact O-N 2.93Å | ||
| 694 | S | 80.9 | Confident | 83.5 | Confident | 9 Ų | 9 | 34.7 Ų | 34.7 | 6% | 0.063 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -58.9 | -32.1 | -173.3 | 59.8 | 0 | 0 | 0 | 0 | 113.3 | G692 L696 E697 D698 S728 | G692-S694 PolarHBondContact O-N 3.27Å; S694-L696 VanDerWaalsContact C-N 3.33Å; S694-L696 PolarHBondContact O-N 2.93Å; S694-E697 PolarHBondContact O-N 3.18Å; S694-D698 WeakPolarHBondContact O-CB 2.72Å; S694-D698 PolarHBondContact O-N 3.1Å; S694-S728 WeakPolarHBondContact CB-O 3.22Å; S694-S728 PolarHBondContact OG-O 3.49Å |
| 695 | L | 83.8 | Confident | 83.6 | Confident | 92 Ų | 92 | 34.7 Ų | 34.7 | 48% | 0.482 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -63.1 | -38.6 | 174.3 | -62.5 | 178.5 | 0 | 0 | 0 | 112.8 | W693 H699 R730 Q731 | W693-L695 PolarHBondContact O-N 3.36Å; W693-L695 VanDerWaalsContact O-N 3.16Å; L695-H699 WeakPolarHBondContact O-CB 3.28Å; L695-H699 PolarHBondContact O-N 3.17Å; L695-R730 HydrophobicContact CD2-CB 4.31Å; L695-Q731 HydrophobicContact CD2-CG 4.45Å |
| 696 | L | 84 | Confident | 83.8 | Confident | 21 Ų | 21 | 36.8 Ų | 36.8 | 11% | 0.11 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -73.6 | -41.6 | 176.7 | -179.5 | 60.7 | 0 | 0 | 0 | 110.4 | F659 A662 V688 W693 S694 D698 H699 I700 | F659-L696 HydrophobicContact CD1-CD2 4.31Å; F659-L696 HydrophobicContact CE1-CD2 3.84Å; F659-L696 HydrophobicContact CZ-CD2 4.17Å; A662-L696 HydrophobicContact CB-CD1 4.24Å; V688-L696 HydrophobicContact CG1-CB 4.26Å; V688-L696 HydrophobicContact CG1-CD2 4.16Å; V688-L696 HydrophobicContact CG1-CG 4.14Å; V688-L696 HydrophobicContact CG2-CD2 3.57Å; V688-L696 HydrophobicContact CG2-CG 4.13Å; W693-L696 HydrophobicContact CB-CB 4.11Å; W693-L696 HydrophobicContact CE3-CD2 3.98Å; W693-L696 WeakPolarHBondContact O-CB 3.36Å; W693-L696 PolarHBondContact O-N 3.41Å; S694-L696 VanDerWaalsContact C-N 3.33Å; S694-L696 PolarHBondContact O-N 2.93Å; L696-D698 VanDerWaalsContact C-N 3.34Å; L696-D698 PolarHBondContact O-N 2.89Å; L696-H699 PolarHBondContact O-N 3.3Å; L696-I700 HydrophobicContact CD1-CD1 4.01Å; L696-I700 HydrophobicContact CD1-CG1 4.07Å; L696-I700 HydrophobicContact CD2-CD1 4.48Å; L696-I700 HydrophobicContact CG-CD1 3.82Å; L696-I700 HydrophobicContact CG-CG1 4.29Å; L696-I700 WeakPolarHBondContact O-CB 3.39Å; L696-I700 WeakPolarHBondContact O-CG1 3.48Å; L696-I700 PolarHBondContact O-N 2.78Å |
| 697 | E | 86.8 | Confident | 84.2 | Confident | 31 Ų | 31 | 35.2 Ų | 35.2 | 15% | 0.145 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -56.7 | -47.7 | 174.2 | -173.9 | 174.1 | -178.4 | 0 | 0 | 111.4 | V688 W693 S694 H699 I700 N701 | V688-E697 HydrophobicContact CG1-CB 4.09Å; W693-E697 PolarHBondContact O-N 2.93Å; S694-E697 PolarHBondContact O-N 3.18Å; E697-H699 PolarHBondContact O-N 3.41Å; E697-I700 PolarHBondContact O-N 3.3Å; E697-N701 VanDerWaalsContact O-CB 3.31Å; E697-N701 WeakPolarHBondContact O-CB 3.29Å; E697-N701 PolarHBondContact O-N 3.12Å; E697-N701 PolarHBondContact O-ND2 2.81Å |
| 698 | D | 87.6 | Confident | 84.5 | Confident | 2 Ų | 2 | 34.9 Ų | 34.9 | 1% | 0.011 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61 | -44.2 | 175.9 | -70.6 | -18.4 | 0 | 0 | 0 | 111.7 | S694 L696 F702 S729 Q731 F739 | S694-D698 WeakPolarHBondContact O-CB 2.72Å; S694-D698 PolarHBondContact O-N 3.1Å; L696-D698 VanDerWaalsContact C-N 3.34Å; L696-D698 PolarHBondContact O-N 2.89Å; D698-F702 WeakPolarHBondContact O-CB 3.45Å; D698-F702 PolarHBondContact O-N 3.33Å; D698-S729 VanDerWaalsContact OD2-CB 3.31Å; D698-S729 WeakPolarHBondContact OD2-CB 3.44Å; D698-S729 PolarHBondContact OD2-OG 3.01Å; D698-Q731 HydrophobicContact CB-CG 4.12Å; D698-Q731 WeakPolarHBondContact OD2-CG 3.05Å; D698-F739 HydrophobicContact CB-CE2 4.25Å; D698-F739 HydrophobicContact CB-CZ 4.39Å |
| 699 | H | 90.8 | Very high | 84.9 | Confident | 59 Ų | 59 | 39 Ų | 39 | 27% | 0.273 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -61.5 | -45.3 | 177.3 | 174.8 | 70.6 | 0 | 0 | 0 | 112.1 | Y681 L695 L696 E697 S703 | Y681-H699 PolarHBondContact OH-NE2 3.14Å; L695-H699 WeakPolarHBondContact O-CB 3.28Å; L695-H699 PolarHBondContact O-N 3.17Å; L696-H699 PolarHBondContact O-N 3.3Å; E697-H699 PolarHBondContact O-N 3.41Å; H699-S703 WeakPolarHBondContact O-CB 3.31Å; H699-S703 PolarHBondContact O-N 3.35Å; H699-S703 PolarHBondContact O-OG 3.12Å |
| 700 | I | 90.2 | Very high | 85.5 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.6 | -51.5 | 179.6 | -67.6 | 174.9 | 0 | 0 | 0 | 109.6 | Y681 T684 M685 V688 L696 E697 F702 S703 V704 | Y681-I700 HydrophobicContact CD1-CB 4.14Å; Y681-I700 HydrophobicContact CD1-CG1 3.72Å; Y681-I700 HydrophobicContact CD1-CG2 3.84Å; Y681-I700 HydrophobicContact CE1-CG1 4.05Å; Y681-I700 HydrophobicContact CG-CG2 4.03Å; T684-I700 HydrophobicContact CG2-CD1 3.7Å; M685-I700 HydrophobicContact CE-CB 4.12Å; M685-I700 HydrophobicContact CE-CG2 3.37Å; M685-I700 HydrophobicContact SD-CG2 4.42Å; V688-I700 HydrophobicContact CG2-CD1 3.93Å; L696-I700 HydrophobicContact CD1-CD1 4.01Å; L696-I700 HydrophobicContact CD1-CG1 4.07Å; L696-I700 HydrophobicContact CD2-CD1 4.48Å; L696-I700 HydrophobicContact CG-CD1 3.82Å; L696-I700 HydrophobicContact CG-CG1 4.29Å; L696-I700 WeakPolarHBondContact O-CB 3.39Å; L696-I700 WeakPolarHBondContact O-CG1 3.48Å; L696-I700 PolarHBondContact O-N 2.78Å; E697-I700 PolarHBondContact O-N 3.3Å; I700-F702 PolarHBondContact O-N 2.84Å; I700-S703 PolarHBondContact O-N 2.87Å; I700-V704 HydrophobicContact CG2-CG2 4.25Å; I700-V704 WeakPolarHBondContact O-CB 3.32Å; I700-V704 VanDerWaalsContact O-CG2 3.25Å; I700-V704 WeakPolarHBondContact O-CG2 3.31Å; I700-V704 PolarHBondContact O-N 2.95Å |
| 701 | N | 91 | Very high | 86.3 | Confident | 12 Ų | 12 | 41.4 Ų | 41.4 | 6% | 0.064 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.5 | -44.7 | -178.9 | -81.7 | -36.1 | 0 | 0 | 0 | 112.3 | M685 E697 G705 A720 E723 T724 | M685-N701 WeakPolarHBondContact CE-OD1 3.19Å; E697-N701 VanDerWaalsContact O-CB 3.31Å; E697-N701 WeakPolarHBondContact O-CB 3.29Å; E697-N701 PolarHBondContact O-N 3.12Å; E697-N701 PolarHBondContact O-ND2 2.81Å; N701-G705 PolarHBondContact O-N 3.04Å; N701-A720 WeakPolarHBondContact CB-O 3.41Å; N701-E723 HydrophobicContact CB-CB 4.41Å; N701-T724 HydrophobicContact CB-CG2 3.56Å |
| 702 | F | 91.3 | Very high | 86.9 | Confident | 26 Ų | 26 | 38.9 Ų | 38.9 | 11% | 0.114 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.6 | -44.7 | 175.3 | -179.2 | -110.6 | 0 | 0 | 0 | 112.2 | D698 I700 G705 K706 L721 T724 I738 F739 E742 | D698-F702 WeakPolarHBondContact O-CB 3.45Å; D698-F702 PolarHBondContact O-N 3.33Å; I700-F702 PolarHBondContact O-N 2.84Å; F702-G705 PolarHBondContact O-N 2.83Å; F702-K706 HydrophobicContact CD1-CD 4.39Å; F702-K706 HydrophobicContact CE1-CD 3.77Å; F702-K706 HydrophobicContact CE2-CD 4.42Å; F702-K706 HydrophobicContact CZ-CD 3.84Å; F702-K706 HydrophobicContact CZ-CG 4.49Å; F702-K706 PolarHBondContact O-N 3.11Å; F702-L721 HydrophobicContact CD2-CD2 3.95Å; F702-T724 HydrophobicContact CB-CG2 4.19Å; F702-I738 HydrophobicContact CE2-CG2 4.19Å; F702-I738 HydrophobicContact CZ-CG2 3.88Å; F702-F739 HydrophobicContact CB-CD1 4.39Å; F702-F739 HydrophobicContact CB-CE1 3.81Å; F702-F739 HydrophobicContact CB-CZ 4.23Å; F702-F739 HydrophobicContact CD1-CE1 4.03Å; F702-F739 AromaticContact CD2-CD1 3.23Å; F702-F739 HydrophobicContact CD2-CD1 3.23Å; F702-F739 AromaticContact CD2-CE1 3.36Å; F702-F739 HydrophobicContact CD2-CE1 3.36Å; F702-F739 HydrophobicContact CD2-CG 4.28Å; F702-F739 HydrophobicContact CD2-CZ 4.47Å; F702-F739 HydrophobicContact CE1-CE1 4.38Å; F702-F739 AromaticContact CE2-CD1 3.44Å; F702-F739 HydrophobicContact CE2-CD1 3.44Å; F702-F739 VanDerWaalsContact CE2-CD1 3.44Å; F702-F739 AromaticContact CE2-CE1 3.77Å; F702-F739 HydrophobicContact CE2-CE1 3.77Å; F702-F739 AromaticContact CG-CD1 3.88Å; F702-F739 HydrophobicContact CG-CD1 3.88Å; F702-F739 AromaticContact CG-CE1 3.46Å; F702-F739 HydrophobicContact CG-CE1 3.46Å; F702-F739 VanDerWaalsContact CG-CE1 3.46Å; F702-F739 HydrophobicContact CG-CZ 4.35Å; F702-F739 HydrophobicContact CZ-CD1 4.21Å; F702-F739 HydrophobicContact CZ-CE1 4.22Å; F702-E742 HydrophobicContact CE2-CB 4.37Å; F702-E742 HydrophobicContact CE2-CG 4.05Å; F702-E742 HydrophobicContact CZ-CG 4.47Å |
| 703 | S | 91.3 | Very high | 87.6 | Confident | 15 Ų | 15 | 38.5 Ų | 38.5 | 11% | 0.105 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66.6 | -45.1 | 179.9 | -60.7 | 0 | 0 | 0 | 0 | 111.4 | Y681 H699 I700 G705 K706 Q707 | Y681-S703 VanDerWaalsContact CE2-CB 3.43Å; H699-S703 WeakPolarHBondContact O-CB 3.31Å; H699-S703 PolarHBondContact O-N 3.35Å; H699-S703 PolarHBondContact O-OG 3.12Å; I700-S703 PolarHBondContact O-N 2.87Å; S703-G705 VanDerWaalsContact C-N 3.28Å; S703-G705 PolarHBondContact O-N 3.41Å; S703-K706 PolarHBondContact O-N 3.11Å; S703-Q707 VanDerWaalsContact O-CG 3.29Å; S703-Q707 WeakPolarHBondContact O-CG 3.33Å; S703-Q707 PolarHBondContact O-N 2.85Å |
| 704 | V | 90.7 | Very high | 87.8 | Confident | 10 Ų | 10 | 37.1 Ų | 37.1 | 6% | 0.061 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -58.5 | -43 | 173.9 | 170.1 | 0 | 0 | 0 | 0 | 110.5 | I678 Y681 I700 K706 Q707 A708 A720 | I678-V704 HydrophobicContact CG2-CG1 4.39Å; Y681-V704 VanDerWaalsContact CB-CG2 3.44Å; Y681-V704 HydrophobicContact CD2-CG2 3.98Å; Y681-V704 HydrophobicContact CG-CG2 3.97Å; I700-V704 HydrophobicContact CG2-CG2 4.25Å; I700-V704 WeakPolarHBondContact O-CB 3.32Å; I700-V704 VanDerWaalsContact O-CG2 3.25Å; I700-V704 WeakPolarHBondContact O-CG2 3.31Å; I700-V704 PolarHBondContact O-N 2.95Å; V704-K706 PolarHBondContact O-N 3.22Å; V704-Q707 PolarHBondContact O-N 2.62Å; V704-A708 WeakPolarHBondContact O-CB 3.19Å; V704-A708 PolarHBondContact O-N 3.11Å; V704-A720 HydrophobicContact CB-CB 4.31Å; V704-A720 HydrophobicContact CG1-CB 3.97Å |
| 705 | G | 89.3 | Confident | 88 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -54.8 | -50 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | N701 F702 S703 Y709 S717 | N701-G705 PolarHBondContact O-N 3.04Å; F702-G705 PolarHBondContact O-N 2.83Å; S703-G705 VanDerWaalsContact C-N 3.28Å; S703-G705 PolarHBondContact O-N 3.41Å; G705-Y709 WeakPolarHBondContact O-CB 3.16Å; G705-Y709 PolarHBondContact O-N 2.96Å; G705-S717 WeakPolarHBondContact O-CB 3.25Å; G705-S717 PolarHBondContact O-OG 3.27Å |
| 706 | K | 91.4 | Very high | 88.1 | Confident | 74 Ų | 74 | 37 Ų | 37 | 32% | 0.322 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -64.4 | -45.3 | 177.7 | -73.9 | -164.9 | 161.3 | -167.3 | 0 | 113.3 | F702 S703 V704 Y709 L710 E742 | F702-K706 HydrophobicContact CD1-CD 4.39Å; F702-K706 HydrophobicContact CE1-CD 3.77Å; F702-K706 HydrophobicContact CE2-CD 4.42Å; F702-K706 HydrophobicContact CZ-CD 3.84Å; F702-K706 HydrophobicContact CZ-CG 4.49Å; F702-K706 PolarHBondContact O-N 3.11Å; S703-K706 PolarHBondContact O-N 3.11Å; V704-K706 PolarHBondContact O-N 3.22Å; K706-Y709 WeakPolarHBondContact O-CB 3.38Å; K706-Y709 PolarHBondContact O-N 3.12Å; K706-L710 WeakPolarHBondContact O-CG 3.19Å; K706-L710 PolarHBondContact O-N 3.43Å; K706-E742 WeakPolarHBondContact CE-OE1 3.29Å; K706-E742 IonicContact NZ-OE1 3.75Å; K706-E742 PolarHBondContact NZ-OE1 3.38Å |
| 707 | Q | 91.7 | Very high | 88.3 | Confident | 21 Ų | 21 | 36 Ų | 36 | 10% | 0.098 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -67.9 | -38.4 | 179.9 | -61.9 | -50 | -51.3 | 0 | 0 | 111.5 | A669 P674 A677 I678 S703 V704 Y709 L710 I711 | A669-Q707 HydrophobicContact CB-CG 4.47Å; P674-Q707 HydrophobicContact CB-CB 4.01Å; P674-Q707 VanDerWaalsContact CB-OE1 3.32Å; A677-Q707 HydrophobicContact CB-CG 4Å; I678-Q707 HydrophobicContact CD1-CB 3.82Å; I678-Q707 HydrophobicContact CG1-CB 3.55Å; S703-Q707 VanDerWaalsContact O-CG 3.29Å; S703-Q707 WeakPolarHBondContact O-CG 3.33Å; S703-Q707 PolarHBondContact O-N 2.85Å; V704-Q707 PolarHBondContact O-N 2.62Å; Q707-Y709 VanDerWaalsContact C-N 3.32Å; Q707-Y709 PolarHBondContact O-N 3.23Å; Q707-L710 WeakPolarHBondContact O-CB 3.08Å; Q707-L710 PolarHBondContact O-N 3.04Å; Q707-I711 PolarHBondContact O-N 3.34Å |
| 708 | A | 89.5 | Confident | 88.2 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -65.4 | -36.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | I678 V704 L710 I711 G712 D713 T716 | I678-A708 HydrophobicContact CD1-CB 4.07Å; V704-A708 WeakPolarHBondContact O-CB 3.19Å; V704-A708 PolarHBondContact O-N 3.11Å; A708-L710 VanDerWaalsContact C-N 3.31Å; A708-L710 PolarHBondContact O-N 2.98Å; A708-I711 PolarHBondContact O-N 3.37Å; A708-G712 PolarHBondContact O-N 3.06Å; A708-G712 VanDerWaalsContact O-N 3.11Å; A708-D713 PolarHBondContact O-N 3.47Å; A708-D713 VanDerWaalsContact O-N 3.09Å; A708-T716 WeakPolarHBondContact CB-OG1 3.5Å |
| 709 | Y | 88.8 | Confident | 88.1 | Confident | 85 Ų | 85 | 42.2 Ų | 42.2 | 33% | 0.333 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -59.4 | -41.4 | 172.1 | -176.6 | -86.4 | 0 | 0 | 0 | 112 | G705 K706 Q707 I711 G712 L714 T746 K749 | G705-Y709 WeakPolarHBondContact O-CB 3.16Å; G705-Y709 PolarHBondContact O-N 2.96Å; K706-Y709 WeakPolarHBondContact O-CB 3.38Å; K706-Y709 PolarHBondContact O-N 3.12Å; Q707-Y709 VanDerWaalsContact C-N 3.32Å; Q707-Y709 PolarHBondContact O-N 3.23Å; Y709-I711 VanDerWaalsContact C-N 3.34Å; Y709-I711 PolarHBondContact O-N 2.88Å; Y709-G712 PolarHBondContact O-N 3.32Å; Y709-L714 HydrophobicContact CD2-CD2 4.06Å; Y709-L714 HydrophobicContact CE2-CD2 4.26Å; Y709-T746 HydrophobicContact CD2-CG2 4.1Å; Y709-K749 HydrophobicContact CE2-CD 3.71Å; Y709-K749 WeakPolarHBondContact OH-CD 3.44Å; Y709-K749 PolarHBondContact OH-NZ 3.45Å |
| 710 | L | 86.6 | Confident | 87.9 | Confident | 122 Ų | 122 | 39.9 Ų | 39.9 | 64% | 0.639 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -66.2 | -33 | 177.6 | -67.4 | 173.7 | 0 | 0 | 0 | 113.1 | K706 Q707 A708 G712 | K706-L710 WeakPolarHBondContact O-CG 3.19Å; K706-L710 PolarHBondContact O-N 3.43Å; Q707-L710 WeakPolarHBondContact O-CB 3.08Å; Q707-L710 PolarHBondContact O-N 3.04Å; A708-L710 VanDerWaalsContact C-N 3.31Å; A708-L710 PolarHBondContact O-N 2.98Å; L710-G712 VanDerWaalsContact C-N 3.31Å |
| 711 | I | 85.4 | Confident | 87.7 | Confident | 82 Ų | 82 | 40 Ų | 40 | 42% | 0.421 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -75.7 | -22.5 | 176 | -63.9 | 171.4 | 0 | 0 | 0 | 111.6 | P674 I675 I678 Q707 A708 Y709 | P674-I711 HydrophobicContact CB-CD1 3.96Å; P674-I711 HydrophobicContact CB-CG1 3.8Å; P674-I711 HydrophobicContact CG-CD1 4.23Å; P674-I711 HydrophobicContact CG-CG1 3.77Å; I675-I711 HydrophobicContact CG1-CD1 3.67Å; I675-I711 HydrophobicContact CG1-CG1 4.34Å; I678-I711 HydrophobicContact CD1-CD1 3.44Å; I678-I711 VanDerWaalsContact CD1-CD1 3.44Å; Q707-I711 PolarHBondContact O-N 3.34Å; A708-I711 PolarHBondContact O-N 3.37Å; Y709-I711 VanDerWaalsContact C-N 3.34Å; Y709-I711 PolarHBondContact O-N 2.88Å |
| 712 | G | 82.5 | Confident | 87.2 | Confident | 42 Ų | 42 | 40.5 Ų | 40.5 | 43% | 0.433 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 93.3 | 3 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | A708 Y709 L710 L714 | A708-G712 PolarHBondContact O-N 3.06Å; A708-G712 VanDerWaalsContact O-N 3.11Å; Y709-G712 PolarHBondContact O-N 3.32Å; L710-G712 VanDerWaalsContact C-N 3.31Å; G712-L714 VanDerWaalsContact C-N 3.28Å; G712-L714 PolarHBondContact O-N 2.82Å |
| 713 | D | 84.7 | Confident | 86.8 | Confident | 57 Ų | 57 | 42.5 Ų | 42.5 | 31% | 0.305 | 23% | 0.227 | S | C | . | . | trans | -80 | 79.7 | 171.6 | -176.8 | 3.1 | 0 | 0 | 0 | 110.4 | A708 T715 T716 S717 | A708-D713 PolarHBondContact O-N 3.47Å; A708-D713 VanDerWaalsContact O-N 3.09Å; D713-T715 PolarHBondContact O-N 3.42Å; D713-T715 PolarHBondContact OD1-N 3.49Å; D713-T715 PolarHBondContact OD1-OG1 3.47Å; D713-T716 PolarHBondContact O-OG1 2.94Å; D713-T716 PolarHBondContact OD1-N 3.44Å; D713-T716 VanDerWaalsContact OD1-N 3.15Å; D713-T716 VanDerWaalsContact OD2-CB 3.32Å; D713-T716 WeakPolarHBondContact OD2-CB 3.46Å; D713-T716 WeakPolarHBondContact OD2-CG2 3.5Å; D713-T716 PolarHBondContact OD2-OG1 3.47Å; D713-S717 WeakPolarHBondContact O-CB 3.47Å; D713-S717 PolarHBondContact O-N 2.81Å; D713-S717 VanDerWaalsContact O-N 3.17Å | ||
| 714 | L | 84.9 | Confident | 86.5 | Confident | 20 Ų | 20 | 41.8 Ų | 41.8 | 11% | 0.105 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.9 | -25.4 | 179.2 | -60.5 | 177.3 | 0 | 0 | 0 | 112.1 | Y709 G712 C718 T746 K749 Y750 | Y709-L714 HydrophobicContact CD2-CD2 4.06Å; Y709-L714 HydrophobicContact CE2-CD2 4.26Å; G712-L714 VanDerWaalsContact C-N 3.28Å; G712-L714 PolarHBondContact O-N 2.82Å; L714-C718 WeakPolarHBondContact O-CB 3.15Å; L714-C718 PolarHBondContact O-N 3.41Å; L714-C718 PolarHBondContact O-SG 2.89Å; L714-C718 VanDerWaalsContact O-SG 3.36Å; L714-T746 HydrophobicContact CD2-CG2 4.41Å; L714-K749 HydrophobicContact CD1-CG 4.1Å; L714-K749 HydrophobicContact CD2-CD 4.09Å; L714-K749 HydrophobicContact CD2-CG 4.41Å; L714-Y750 HydrophobicContact CB-CD2 3.89Å |
| 715 | T | 85.7 | Confident | 85.8 | Confident | 63 Ų | 63 | 41.4 Ų | 41.4 | 39% | 0.387 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -71.8 | -47.2 | -177.6 | 68.9 | 0 | 0 | 0 | 0 | 112.2 | D713 S717 K719 Y750 | D713-T715 PolarHBondContact O-N 3.42Å; D713-T715 PolarHBondContact OD1-N 3.49Å; D713-T715 PolarHBondContact OD1-OG1 3.47Å; T715-S717 VanDerWaalsContact C-N 3.33Å; T715-K719 WeakPolarHBondContact O-CG 3.21Å; T715-K719 PolarHBondContact O-N 3.32Å; T715-Y750 HydrophobicContact CG2-CE2 3.8Å |
| 716 | T | 86.1 | Confident | 85.1 | Confident | 35 Ų | 35 | 45.8 Ų | 45.8 | 22% | 0.215 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -72.9 | -31.4 | 176.6 | 59.6 | 0 | 0 | 0 | 0 | 111.3 | A708 D713 K719 A720 | A708-T716 WeakPolarHBondContact CB-OG1 3.5Å; D713-T716 PolarHBondContact O-OG1 2.94Å; D713-T716 PolarHBondContact OD1-N 3.44Å; D713-T716 VanDerWaalsContact OD1-N 3.15Å; D713-T716 VanDerWaalsContact OD2-CB 3.32Å; D713-T716 WeakPolarHBondContact OD2-CB 3.46Å; D713-T716 WeakPolarHBondContact OD2-CG2 3.5Å; D713-T716 PolarHBondContact OD2-OG1 3.47Å; T716-K719 PolarHBondContact O-N 2.75Å; T716-A720 WeakPolarHBondContact O-CB 3.34Å; T716-A720 PolarHBondContact O-N 3.27Å |
| 717 | S | 88.7 | Confident | 83.9 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.1 | -54 | 173.9 | -171.9 | 0 | 0 | 0 | 0 | 112.2 | G705 D713 T715 K719 A720 L721 T746 | G705-S717 WeakPolarHBondContact O-CB 3.25Å; G705-S717 PolarHBondContact O-OG 3.27Å; D713-S717 WeakPolarHBondContact O-CB 3.47Å; D713-S717 PolarHBondContact O-N 2.81Å; D713-S717 VanDerWaalsContact O-N 3.17Å; T715-S717 VanDerWaalsContact C-N 3.33Å; S717-K719 VanDerWaalsContact C-N 3.34Å; S717-K719 PolarHBondContact O-N 3.37Å; S717-A720 PolarHBondContact O-N 3.45Å; S717-L721 WeakPolarHBondContact O-CB 3.34Å; S717-L721 WeakPolarHBondContact O-CG 3.31Å; S717-L721 PolarHBondContact O-N 2.9Å; S717-T746 WeakPolarHBondContact OG-CG2 3.43Å |
| 718 | C | 84.7 | Confident | 82.8 | Confident | 16 Ų | 16 | 48.1 Ų | 48.1 | 11% | 0.108 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -57.6 | -44.5 | 177.5 | -75.9 | 0 | 0 | 0 | 0 | 112.3 | L714 L721 A722 T746 | L714-C718 WeakPolarHBondContact O-CB 3.15Å; L714-C718 PolarHBondContact O-N 3.41Å; L714-C718 PolarHBondContact O-SG 2.89Å; L714-C718 VanDerWaalsContact O-SG 3.36Å; C718-L721 PolarHBondContact O-N 3.22Å; C718-A722 VanDerWaalsContact O-CB 3.32Å; C718-A722 WeakPolarHBondContact O-CB 3.13Å; C718-A722 PolarHBondContact O-N 3.19Å; C718-T746 VanDerWaalsContact SG-CG2 3.59Å |
| 719 | K | 84.9 | Confident | 82.1 | Confident | 148 Ų | 148 | 48.8 Ų | 48.8 | 64% | 0.643 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -62.8 | -48.4 | 179.3 | -72.5 | 174.6 | -178.2 | 176.9 | 0 | 111.9 | T715 T716 S717 L721 A722 E723 | T715-K719 WeakPolarHBondContact O-CG 3.21Å; T715-K719 PolarHBondContact O-N 3.32Å; T716-K719 PolarHBondContact O-N 2.75Å; S717-K719 VanDerWaalsContact C-N 3.34Å; S717-K719 PolarHBondContact O-N 3.37Å; K719-L721 PolarHBondContact O-N 3.01Å; K719-A722 PolarHBondContact O-N 3.37Å; K719-E723 WeakPolarHBondContact O-CG 3.08Å; K719-E723 PolarHBondContact O-N 2.73Å |
| 720 | A | 86 | Confident | 81.5 | Confident | 9 Ų | 9 | 54 Ų | 54 | 7% | 0.074 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65.5 | -39.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | N701 V704 T716 S717 E723 | N701-A720 WeakPolarHBondContact CB-O 3.41Å; V704-A720 HydrophobicContact CB-CB 4.31Å; V704-A720 HydrophobicContact CG1-CB 3.97Å; T716-A720 WeakPolarHBondContact O-CB 3.34Å; T716-A720 PolarHBondContact O-N 3.27Å; S717-A720 PolarHBondContact O-N 3.45Å; A720-E723 WeakPolarHBondContact O-CB 3.31Å; A720-E723 PolarHBondContact O-N 2.84Å |
| 721 | L | 85.8 | Confident | 81.3 | Confident | 2 Ų | 2 | 49.8 Ų | 49.8 | 1% | 0.01 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -68.3 | -37.4 | 175.8 | -70 | 171.5 | 0 | 0 | 0 | 112 | F702 S717 C718 K719 E723 T724 Y743 T746 | F702-L721 HydrophobicContact CD2-CD2 3.95Å; S717-L721 WeakPolarHBondContact O-CB 3.34Å; S717-L721 WeakPolarHBondContact O-CG 3.31Å; S717-L721 PolarHBondContact O-N 2.9Å; C718-L721 PolarHBondContact O-N 3.22Å; K719-L721 PolarHBondContact O-N 3.01Å; L721-E723 VanDerWaalsContact C-N 3.27Å; L721-E723 PolarHBondContact O-N 3.03Å; L721-T724 WeakPolarHBondContact O-CB 3.34Å; L721-T724 PolarHBondContact O-N 3.09Å; L721-T724 VanDerWaalsContact O-N 3.14Å; L721-T724 PolarHBondContact O-OG1 3.2Å; L721-Y743 HydrophobicContact CB-CD2 3.82Å; L721-Y743 HydrophobicContact CB-CG 4.49Å; L721-T746 HydrophobicContact CD1-CG2 4.43Å |
| 722 | A | 82.2 | Confident | 81.1 | Confident | 23 Ų | 23 | 48.3 Ų | 48.3 | 19% | 0.19 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.7 | -35 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | C718 K719 T724 L725 Y743 | C718-A722 VanDerWaalsContact O-CB 3.32Å; C718-A722 WeakPolarHBondContact O-CB 3.13Å; C718-A722 PolarHBondContact O-N 3.19Å; K719-A722 PolarHBondContact O-N 3.37Å; A722-T724 PolarHBondContact O-N 3.18Å; A722-L725 WeakPolarHBondContact O-CB 3.38Å; A722-L725 PolarHBondContact O-N 3.04Å; A722-L725 VanDerWaalsContact O-N 3.09Å; A722-Y743 HydrophobicContact CB-CE2 3.9Å |
| 723 | E | 82.8 | Confident | 80.7 | Confident | 69 Ų | 69 | 47.9 Ų | 47.9 | 32% | 0.322 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -61.9 | -29.3 | 175.9 | -70.1 | -71.8 | 138.9 | 0 | 0 | 112.9 | N701 K719 A720 L721 L725 K726 | N701-E723 HydrophobicContact CB-CB 4.41Å; K719-E723 WeakPolarHBondContact O-CG 3.08Å; K719-E723 PolarHBondContact O-N 2.73Å; A720-E723 WeakPolarHBondContact O-CB 3.31Å; A720-E723 PolarHBondContact O-N 2.84Å; L721-E723 VanDerWaalsContact C-N 3.27Å; L721-E723 PolarHBondContact O-N 3.03Å; E723-L725 PolarHBondContact O-N 3.49Å; E723-K726 WeakPolarHBondContact O-CG 3.44Å; E723-K726 PolarHBondContact O-N 3.11Å; E723-K726 WeakPolarHBondContact OE1-CE 3.37Å; E723-K726 IonicContact OE1-NZ 3.5Å; E723-K726 PolarHBondContact OE1-NZ 3.25Å; E723-K726 WeakPolarHBondContact OE2-CD 3.47Å; E723-K726 WeakPolarHBondContact OE2-CE 3.5Å; E723-K726 IonicContact OE2-NZ 2.81Å; E723-K726 PolarHBondContact OE2-NZ 3.44Å |
| 724 | T | 83.6 | Confident | 80.5 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | -13.3 | 176.2 | 71 | 0 | 0 | 0 | 0 | 113.9 | N701 F702 L721 A722 F739 | N701-T724 HydrophobicContact CB-CG2 3.56Å; F702-T724 HydrophobicContact CB-CG2 4.19Å; L721-T724 WeakPolarHBondContact O-CB 3.34Å; L721-T724 PolarHBondContact O-N 3.09Å; L721-T724 VanDerWaalsContact O-N 3.14Å; L721-T724 PolarHBondContact O-OG1 3.2Å; A722-T724 PolarHBondContact O-N 3.18Å; T724-F739 HydrophobicContact CG2-CD2 4.49Å |
| 725 | L | 76.6 | Confident | 80.4 | Confident | 2 Ų | 2 | 56.6 Ų | 56.6 | 1% | 0.01 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | 8.2 | -178 | -56.6 | 180 | 0 | 0 | 0 | 112.8 | A722 E723 F739 V740 Y743 P765 L766 M967 | A722-L725 WeakPolarHBondContact O-CB 3.38Å; A722-L725 PolarHBondContact O-N 3.04Å; A722-L725 VanDerWaalsContact O-N 3.09Å; E723-L725 PolarHBondContact O-N 3.49Å; L725-F739 HydrophobicContact CD2-CB 4.13Å; L725-V740 HydrophobicContact CD2-CG2 3.85Å; L725-Y743 HydrophobicContact CD1-CD1 3.94Å; L725-Y743 HydrophobicContact CD1-CE1 4.39Å; L725-Y743 HydrophobicContact CD1-CG 4.08Å; L725-P765 HydrophobicContact CB-CG 4.14Å; L725-P765 HydrophobicContact CD1-CG 3.98Å; L725-L766 HydrophobicContact CB-CD1 4.13Å; L725-L766 HydrophobicContact CB-CG 4.49Å; L725-L766 HydrophobicContact CD1-CD1 4.39Å; L725-M967 HydrophobicContact CD2-CE 3.55Å; L725-M967 HydrophobicContact CD2-SD 4.01Å |
| 726 | K | 74.5 | Confident | 80.3 | Confident | 91 Ų | 91 | 53.9 Ų | 53.9 | 40% | 0.396 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -74.7 | 156 | 178.8 | -70.2 | -177.7 | 172.9 | -179.2 | 0 | 112.6 | E723 S728 S729 | E723-K726 WeakPolarHBondContact O-CG 3.44Å; E723-K726 PolarHBondContact O-N 3.11Å; E723-K726 WeakPolarHBondContact OE1-CE 3.37Å; E723-K726 IonicContact OE1-NZ 3.5Å; E723-K726 PolarHBondContact OE1-NZ 3.25Å; E723-K726 WeakPolarHBondContact OE2-CD 3.47Å; E723-K726 WeakPolarHBondContact OE2-CE 3.5Å; E723-K726 IonicContact OE2-NZ 2.81Å; E723-K726 PolarHBondContact OE2-NZ 3.44Å; K726-S728 PolarHBondContact O-N 2.78Å; K726-S728 VanDerWaalsContact O-N 3.1Å; K726-S729 PolarHBondContact O-N 3.22Å; K726-S729 VanDerWaalsContact O-N 3.15Å |
| 727 | S | 66 | Low | 80.1 | Confident | 88 Ų | 88 | 55 Ų | 55 | 62% | 0.615 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -14.3 | 179.5 | 56.3 | 0 | 0 | 0 | 0 | 115 | S729 | S727-S729 VanDerWaalsContact C-N 3.3Š|
| 728 | S | 68.6 | Low | 79.9 | Confident | 57 Ų | 57 | 57.8 Ų | 57.8 | 40% | 0.399 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | -16.4 | 175.3 | 46.8 | 0 | 0 | 0 | 0 | 113.8 | S694 K726 | S694-S728 WeakPolarHBondContact CB-O 3.22Å; S694-S728 PolarHBondContact OG-O 3.49Å; K726-S728 PolarHBondContact O-N 2.78Å; K726-S728 VanDerWaalsContact O-N 3.1Å |
| 729 | S | 75.3 | Confident | 80 | Confident | 14 Ų | 14 | 57.3 Ų | 57.3 | 10% | 0.098 | 29% | 0.289 | C | S | . | . | trans | -65.2 | 134 | -179.2 | 179.9 | 0 | 0 | 0 | 0 | 111.8 | D698 K726 S727 Q731 | D698-S729 VanDerWaalsContact OD2-CB 3.31Å; D698-S729 WeakPolarHBondContact OD2-CB 3.44Å; D698-S729 PolarHBondContact OD2-OG 3.01Å; K726-S729 PolarHBondContact O-N 3.22Å; K726-S729 VanDerWaalsContact O-N 3.15Å; S727-S729 VanDerWaalsContact C-N 3.3Å; S729-Q731 PolarHBondContact OG-N 3.49Å | ||
| 730 | R | 76.5 | Confident | 79.9 | Confident | 193 Ų | 193 | 50.3 Ų | 50.3 | 73% | 0.728 | 26% | 0.258 | S | S | * | . | trans | -111.5 | 18.3 | 177.3 | -66 | -176.3 | -178.4 | -164.3 | 1.5 | 112.9 | L695 | L695-R730 HydrophobicContact CD2-CB 4.31Š| ||
| 731 | Q | 82.8 | Confident | 79.8 | Confident | 35 Ų | 35 | 54.4 Ų | 54.4 | 16% | 0.164 | 27% | 0.274 | C | S | . | . | trans | -70.9 | 160.8 | -176.5 | -68.6 | -82.9 | 10.6 | 0 | 0 | 113 | L695 D698 S729 R735 Q736 F739 | L695-Q731 HydrophobicContact CD2-CG 4.45Å; D698-Q731 HydrophobicContact CB-CG 4.12Å; D698-Q731 WeakPolarHBondContact OD2-CG 3.05Å; S729-Q731 PolarHBondContact OG-N 3.49Å; Q731-R735 HydrophobicContact CB-CB 4.23Å; Q731-Q736 HydrophobicContact CB-CG 4.06Å; Q731-F739 HydrophobicContact CB-CE2 4.49Å; Q731-F739 HydrophobicContact CG-CE2 3.96Å; Q731-F739 HydrophobicContact CG-CZ 4.3Å | ||
| 732 | S | 80.7 | Confident | 79.8 | Confident | 50 Ų | 50 | 57.3 Ų | 57.3 | 35% | 0.35 | 29% | 0.288 | S | S | . | . | trans | -68.3 | 157.8 | 174.1 | 68.5 | 0 | 0 | 0 | 0 | 111.8 | E734 R735 Q736 | S732-E734 PolarHBondContact O-N 3.27Å; S732-R735 PolarHBondContact O-N 2.86Å; S732-R735 PolarHBondContact OG-N 3.05Å; S732-Q736 WeakPolarHBondContact O-CB 3.4Å; S732-Q736 WeakPolarHBondContact O-CG 2.98Å; S732-Q736 PolarHBondContact O-N 3.39Å | ||
| 733 | A | 74.6 | Confident | 79.9 | Confident | 34 Ų | 34 | 56.8 Ų | 56.8 | 28% | 0.281 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -56.2 | -39.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q736 L737 R968 I969 | A733-Q736 PolarHBondContact O-N 3.02Å; A733-L737 PolarHBondContact O-N 3.47Å; A733-R968 HydrophobicContact CB-CB 3.71Å; A733-R968 WeakPolarHBondContact CB-O 2.97Å; A733-I969 HydrophobicContact CB-CG2 4.3Å; A733-I969 WeakPolarHBondContact O-CG2 3.47Å |
| 734 | E | 79.1 | Confident | 79.8 | Confident | 154 Ų | 154 | 54 Ų | 54 | 72% | 0.72 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -62.3 | -44.7 | 177.6 | -63.4 | 173.4 | -177.7 | 0 | 0 | 112.4 | S732 L737 I738 | S732-E734 PolarHBondContact O-N 3.27Å; E734-L737 PolarHBondContact O-N 3.04Å; E734-I738 WeakPolarHBondContact O-CG1 3.32Å; E734-I738 PolarHBondContact O-N 3.42Å |
| 735 | R | 84.2 | Confident | 79.8 | Confident | 106 Ų | 106 | 56.7 Ų | 56.7 | 40% | 0.4 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -67.9 | -40.5 | 177.3 | -76 | -63.2 | -169.7 | -169.6 | 0.9 | 112 | Q731 S732 L737 I738 F739 | Q731-R735 HydrophobicContact CB-CB 4.23Å; S732-R735 PolarHBondContact O-N 2.86Å; S732-R735 PolarHBondContact OG-N 3.05Å; R735-L737 VanDerWaalsContact C-N 3.3Å; R735-L737 PolarHBondContact O-N 2.84Å; R735-I738 WeakPolarHBondContact O-CB 3.45Å; R735-I738 PolarHBondContact O-N 3.44Å; R735-I738 VanDerWaalsContact O-N 3.12Å; R735-F739 WeakPolarHBondContact O-CD1 3.44Å; R735-F739 WeakPolarHBondContact O-CG 3.46Å; R735-F739 PolarHBondContact O-N 3.24Å |
| 736 | Q | 82.4 | Confident | 80.2 | Confident | 6 Ų | 6 | 56.7 Ų | 56.7 | 3% | 0.028 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60 | -40 | 174.9 | -77 | -172.6 | -17.8 | 0 | 0 | 112.2 | Q731 S732 A733 I738 F739 V740 M967 I969 | Q731-Q736 HydrophobicContact CB-CG 4.06Å; S732-Q736 WeakPolarHBondContact O-CB 3.4Å; S732-Q736 WeakPolarHBondContact O-CG 2.98Å; S732-Q736 PolarHBondContact O-N 3.39Å; A733-Q736 PolarHBondContact O-N 3.02Å; Q736-I738 VanDerWaalsContact C-N 3.31Å; Q736-I738 PolarHBondContact O-N 2.95Å; Q736-F739 WeakPolarHBondContact O-CB 3.48Å; Q736-F739 PolarHBondContact O-N 3.23Å; Q736-V740 PolarHBondContact O-N 2.75Å; Q736-M967 HydrophobicContact CB-CE 3.41Å; Q736-M967 VanDerWaalsContact CB-CE 3.41Å; Q736-M967 HydrophobicContact CG-CE 3.5Å; Q736-M967 VanDerWaalsContact CG-CE 3.5Å; Q736-I969 HydrophobicContact CB-CG2 4.39Å |
| 737 | L | 81.3 | Confident | 80.5 | Confident | 58 Ų | 58 | 52.7 Ų | 52.7 | 30% | 0.304 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -61.7 | -39 | 174.1 | -178.2 | 61.3 | 0 | 0 | 0 | 112.1 | A733 E734 R735 V740 K741 I969 Y1097 | A733-L737 PolarHBondContact O-N 3.47Å; E734-L737 PolarHBondContact O-N 3.04Å; R735-L737 VanDerWaalsContact C-N 3.3Å; R735-L737 PolarHBondContact O-N 2.84Å; L737-V740 PolarHBondContact O-N 3.37Å; L737-K741 HydrophobicContact CG-CD 4.5Å; L737-K741 WeakPolarHBondContact O-CG 3.43Å; L737-K741 PolarHBondContact O-N 2.99Å; L737-I969 HydrophobicContact CB-CG2 4.25Å; L737-Y1097 HydrophobicContact CD1-CD2 4Å |
| 738 | I | 85.4 | Confident | 81.2 | Confident | 59 Ų | 59 | 52.1 Ų | 52.1 | 30% | 0.303 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -64.4 | -42.4 | 175.5 | -63.9 | 165.7 | 0 | 0 | 0 | 110.6 | F702 E734 R735 Q736 V740 K741 E742 | F702-I738 HydrophobicContact CE2-CG2 4.19Å; F702-I738 HydrophobicContact CZ-CG2 3.88Å; E734-I738 WeakPolarHBondContact O-CG1 3.32Å; E734-I738 PolarHBondContact O-N 3.42Å; R735-I738 WeakPolarHBondContact O-CB 3.45Å; R735-I738 PolarHBondContact O-N 3.44Å; R735-I738 VanDerWaalsContact O-N 3.12Å; Q736-I738 VanDerWaalsContact C-N 3.31Å; Q736-I738 PolarHBondContact O-N 2.95Å; I738-V740 VanDerWaalsContact C-N 3.32Å; I738-V740 PolarHBondContact O-N 3.16Å; I738-K741 PolarHBondContact O-N 3Å; I738-E742 HydrophobicContact CG2-CG 4.21Å; I738-E742 WeakPolarHBondContact O-CG 3.46Å; I738-E742 PolarHBondContact O-N 3.32Å |
| 739 | F | 87.1 | Confident | 81.8 | Confident | 6 Ų | 6 | 53.5 Ų | 53.5 | 3% | 0.026 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60 | -43.8 | 177.2 | -63.4 | -11.9 | 0 | 0 | 0 | 111.8 | D698 F702 T724 L725 Q731 R735 Q736 E742 Y743 | D698-F739 HydrophobicContact CB-CE2 4.25Å; D698-F739 HydrophobicContact CB-CZ 4.39Å; F702-F739 HydrophobicContact CB-CD1 4.39Å; F702-F739 HydrophobicContact CB-CE1 3.81Å; F702-F739 HydrophobicContact CB-CZ 4.23Å; F702-F739 HydrophobicContact CD1-CE1 4.03Å; F702-F739 AromaticContact CD2-CD1 3.23Å; F702-F739 HydrophobicContact CD2-CD1 3.23Å; F702-F739 AromaticContact CD2-CE1 3.36Å; F702-F739 HydrophobicContact CD2-CE1 3.36Å; F702-F739 HydrophobicContact CD2-CG 4.28Å; F702-F739 HydrophobicContact CD2-CZ 4.47Å; F702-F739 HydrophobicContact CE1-CE1 4.38Å; F702-F739 AromaticContact CE2-CD1 3.44Å; F702-F739 HydrophobicContact CE2-CD1 3.44Å; F702-F739 VanDerWaalsContact CE2-CD1 3.44Å; F702-F739 AromaticContact CE2-CE1 3.77Å; F702-F739 HydrophobicContact CE2-CE1 3.77Å; F702-F739 AromaticContact CG-CD1 3.88Å; F702-F739 HydrophobicContact CG-CD1 3.88Å; F702-F739 AromaticContact CG-CE1 3.46Å; F702-F739 HydrophobicContact CG-CE1 3.46Å; F702-F739 VanDerWaalsContact CG-CE1 3.46Å; F702-F739 HydrophobicContact CG-CZ 4.35Å; F702-F739 HydrophobicContact CZ-CD1 4.21Å; F702-F739 HydrophobicContact CZ-CE1 4.22Å; T724-F739 HydrophobicContact CG2-CD2 4.49Å; L725-F739 HydrophobicContact CD2-CB 4.13Å; Q731-F739 HydrophobicContact CB-CE2 4.49Å; Q731-F739 HydrophobicContact CG-CE2 3.96Å; Q731-F739 HydrophobicContact CG-CZ 4.3Å; R735-F739 WeakPolarHBondContact O-CD1 3.44Å; R735-F739 WeakPolarHBondContact O-CG 3.46Å; R735-F739 PolarHBondContact O-N 3.24Å; Q736-F739 WeakPolarHBondContact O-CB 3.48Å; Q736-F739 PolarHBondContact O-N 3.23Å; F739-E742 PolarHBondContact O-N 3.03Å; F739-Y743 VanDerWaalsContact O-CB 3.3Å; F739-Y743 WeakPolarHBondContact O-CB 3.2Å; F739-Y743 PolarHBondContact O-N 2.86Å |
| 740 | V | 82.5 | Confident | 82 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.4 | -48 | 176.2 | 161.8 | 0 | 0 | 0 | 0 | 112 | L725 Q736 L737 I738 E742 Y743 L744 M967 I969 W1095 Y1097 | L725-V740 HydrophobicContact CD2-CG2 3.85Å; Q736-V740 PolarHBondContact O-N 2.75Å; L737-V740 PolarHBondContact O-N 3.37Å; I738-V740 VanDerWaalsContact C-N 3.32Å; I738-V740 PolarHBondContact O-N 3.16Å; V740-E742 VanDerWaalsContact C-N 3.33Å; V740-E742 PolarHBondContact O-N 2.95Å; V740-Y743 PolarHBondContact O-N 3.45Å; V740-L744 HydrophobicContact CG1-CD1 4.02Å; V740-L744 WeakPolarHBondContact O-CB 3.42Å; V740-L744 WeakPolarHBondContact O-CG 3.36Å; V740-L744 PolarHBondContact O-N 3.35Å; V740-M967 HydrophobicContact CG2-CE 4.35Å; V740-M967 HydrophobicContact CG2-SD 3.97Å; V740-I969 HydrophobicContact CB-CD1 4.45Å; V740-I969 HydrophobicContact CG2-CD1 3.74Å; V740-W1095 HydrophobicContact CB-CH2 4.1Å; V740-W1095 HydrophobicContact CG1-CH2 3.23Å; V740-W1095 HydrophobicContact CG1-CZ2 3.84Å; V740-W1095 HydrophobicContact CG1-CZ3 3.96Å; V740-W1095 HydrophobicContact CG2-CH2 3.85Å; V740-W1095 HydrophobicContact CG2-CZ2 4.37Å; V740-Y1097 HydrophobicContact CG1-CD1 4.41Å; V740-Y1097 HydrophobicContact CG1-CG 4.26Å |
| 741 | K | 83.9 | Confident | 81.8 | Confident | 95 Ų | 95 | 49.7 Ų | 49.7 | 41% | 0.413 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -58.4 | -45.5 | 179.1 | -75.7 | 178.8 | 174.7 | -173.7 | 0 | 111.9 | L737 I738 L744 S745 Y1097 | L737-K741 HydrophobicContact CG-CD 4.5Å; L737-K741 WeakPolarHBondContact O-CG 3.43Å; L737-K741 PolarHBondContact O-N 2.99Å; I738-K741 PolarHBondContact O-N 3Å; K741-L744 PolarHBondContact O-N 3.25Å; K741-S745 WeakPolarHBondContact O-CB 3.44Å; K741-S745 PolarHBondContact O-N 2.91Å; K741-S745 PolarHBondContact O-OG 3.35Å; K741-Y1097 HydrophobicContact CD-CE2 4.26Å; K741-Y1097 VanDerWaalsContact CE-CE2 3.43Å; K741-Y1097 HydrophobicContact CG-CD2 4.39Å; K741-Y1097 HydrophobicContact CG-CE1 4.43Å; K741-Y1097 HydrophobicContact CG-CE2 3.85Å |
| 742 | E | 84.9 | Confident | 81.4 | Confident | 63 Ų | 63 | 50.9 Ų | 50.9 | 29% | 0.294 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -71.2 | -36.6 | -179.1 | -63.1 | -81.9 | -160.6 | 0 | 0 | 112.1 | F702 K706 I738 F739 V740 S745 T746 | F702-E742 HydrophobicContact CE2-CB 4.37Å; F702-E742 HydrophobicContact CE2-CG 4.05Å; F702-E742 HydrophobicContact CZ-CG 4.47Å; K706-E742 WeakPolarHBondContact CE-OE1 3.29Å; K706-E742 IonicContact NZ-OE1 3.75Å; K706-E742 PolarHBondContact NZ-OE1 3.38Å; I738-E742 HydrophobicContact CG2-CG 4.21Å; I738-E742 WeakPolarHBondContact O-CG 3.46Å; I738-E742 PolarHBondContact O-N 3.32Å; F739-E742 PolarHBondContact O-N 3.03Å; V740-E742 VanDerWaalsContact C-N 3.33Å; V740-E742 PolarHBondContact O-N 2.95Å; E742-S745 PolarHBondContact O-OG 2.96Å; E742-T746 VanDerWaalsContact O-CB 3.32Å; E742-T746 WeakPolarHBondContact O-CB 3.4Å; E742-T746 PolarHBondContact O-N 2.8Å; E742-T746 VanDerWaalsContact O-N 3.1Å; E742-T746 PolarHBondContact O-OG1 2.85Å |
| 743 | Y | 85.4 | Confident | 81.1 | Confident | 13 Ų | 13 | 52.9 Ų | 52.9 | 5% | 0.051 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.4 | -46.6 | 173.6 | 176.3 | -108 | 0 | 0 | 0 | 111.4 | L721 A722 L725 F739 V740 T746 L747 F764 | L721-Y743 HydrophobicContact CB-CD2 3.82Å; L721-Y743 HydrophobicContact CB-CG 4.49Å; A722-Y743 HydrophobicContact CB-CE2 3.9Å; L725-Y743 HydrophobicContact CD1-CD1 3.94Å; L725-Y743 HydrophobicContact CD1-CE1 4.39Å; L725-Y743 HydrophobicContact CD1-CG 4.08Å; F739-Y743 VanDerWaalsContact O-CB 3.3Å; F739-Y743 WeakPolarHBondContact O-CB 3.2Å; F739-Y743 PolarHBondContact O-N 2.86Å; V740-Y743 PolarHBondContact O-N 3.45Å; Y743-T746 PolarHBondContact O-N 2.61Å; Y743-L747 HydrophobicContact CE1-CD2 4Å; Y743-L747 VanDerWaalsContact O-CB 3.25Å; Y743-L747 WeakPolarHBondContact O-CB 3.32Å; Y743-L747 PolarHBondContact O-N 2.87Å; Y743-F764 HydrophobicContact CD1-CE2 4.34Å; Y743-F764 AromaticContact CD1-CZ 3.95Å; Y743-F764 HydrophobicContact CD1-CZ 3.95Å; Y743-F764 HydrophobicContact CE1-CD2 4.48Å; Y743-F764 HydrophobicContact CE1-CE1 4.49Å; Y743-F764 AromaticContact CE1-CE2 3.57Å; Y743-F764 HydrophobicContact CE1-CE2 3.57Å; Y743-F764 AromaticContact CE1-CZ 3.51Å; Y743-F764 HydrophobicContact CE1-CZ 3.51Å |
| 744 | L | 81.3 | Confident | 80.5 | Confident | 10 Ų | 10 | 53.6 Ų | 53.6 | 5% | 0.052 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66.3 | -43.4 | 179.9 | -75.1 | 179 | 0 | 0 | 0 | 112.7 | V740 K741 T746 L747 T748 F764 W1095 Y1097 V1181 | V740-L744 HydrophobicContact CG1-CD1 4.02Å; V740-L744 WeakPolarHBondContact O-CB 3.42Å; V740-L744 WeakPolarHBondContact O-CG 3.36Å; V740-L744 PolarHBondContact O-N 3.35Å; K741-L744 PolarHBondContact O-N 3.25Å; L744-T746 VanDerWaalsContact C-N 3.28Å; L744-T746 PolarHBondContact O-N 3.18Å; L744-L747 PolarHBondContact O-N 2.9Å; L744-T748 WeakPolarHBondContact O-CB 3.33Å; L744-T748 PolarHBondContact O-N 2.88Å; L744-T748 PolarHBondContact O-OG1 3.15Å; L744-F764 HydrophobicContact CD2-CE2 4.31Å; L744-F764 HydrophobicContact CD2-CZ 4.4Å; L744-W1095 HydrophobicContact CD1-CE3 3.96Å; L744-W1095 HydrophobicContact CD1-CH2 4.25Å; L744-W1095 HydrophobicContact CD1-CZ3 3.53Å; L744-W1095 HydrophobicContact CD2-CE3 3.7Å; L744-W1095 HydrophobicContact CD2-CZ3 3.51Å; L744-W1095 HydrophobicContact CG-CE3 4.19Å; L744-W1095 HydrophobicContact CG-CZ3 3.6Å; L744-Y1097 HydrophobicContact CD1-CD1 3.42Å; L744-Y1097 VanDerWaalsContact CD1-CD1 3.42Å; L744-Y1097 HydrophobicContact CD1-CE1 3.9Å; L744-Y1097 HydrophobicContact CD1-CG 4.48Å; L744-V1181 HydrophobicContact CD2-CB 4.16Å; L744-V1181 HydrophobicContact CD2-CG2 3.78Å |
| 745 | S | 83.3 | Confident | 79.5 | Confident | 56 Ų | 56 | 55.6 Ų | 55.6 | 39% | 0.392 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -61 | -41 | 176.5 | 67.9 | 0 | 0 | 0 | 0 | 111.4 | K741 E742 K749 | K741-S745 WeakPolarHBondContact O-CB 3.44Å; K741-S745 PolarHBondContact O-N 2.91Å; K741-S745 PolarHBondContact O-OG 3.35Å; E742-S745 PolarHBondContact O-OG 2.96Å; S745-K749 PolarHBondContact O-N 2.95Å; S745-K749 VanDerWaalsContact O-N 3.16Å |
| 746 | T | 85.1 | Confident | 77.8 | Confident | 2 Ų | 2 | 58.3 Ų | 58.3 | 1% | 0.012 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -67.5 | -43.4 | 176.7 | -55.6 | 0 | 0 | 0 | 0 | 111.6 | Y709 L714 S717 C718 L721 E742 Y743 L744 K749 Y750 | Y709-T746 HydrophobicContact CD2-CG2 4.1Å; L714-T746 HydrophobicContact CD2-CG2 4.41Å; S717-T746 WeakPolarHBondContact OG-CG2 3.43Å; C718-T746 VanDerWaalsContact SG-CG2 3.59Å; L721-T746 HydrophobicContact CD1-CG2 4.43Å; E742-T746 VanDerWaalsContact O-CB 3.32Å; E742-T746 WeakPolarHBondContact O-CB 3.4Å; E742-T746 PolarHBondContact O-N 2.8Å; E742-T746 VanDerWaalsContact O-N 3.1Å; E742-T746 PolarHBondContact O-OG1 2.85Å; Y743-T746 PolarHBondContact O-N 2.61Å; L744-T746 VanDerWaalsContact C-N 3.28Å; L744-T746 PolarHBondContact O-N 3.18Å; T746-K749 PolarHBondContact O-N 3.29Å; T746-Y750 WeakPolarHBondContact O-CB 3.22Å; T746-Y750 PolarHBondContact O-N 3.36Å |
| 747 | L | 81.2 | Confident | 76.1 | Confident | 7 Ų | 7 | 65.4 Ų | 65.4 | 4% | 0.037 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.8 | -45.1 | 179.4 | -178.5 | 61.6 | 0 | 0 | 0 | 111.7 | Y743 L744 K749 Y750 L751 P762 F764 V1181 | Y743-L747 HydrophobicContact CE1-CD2 4Å; Y743-L747 VanDerWaalsContact O-CB 3.25Å; Y743-L747 WeakPolarHBondContact O-CB 3.32Å; Y743-L747 PolarHBondContact O-N 2.87Å; L744-L747 PolarHBondContact O-N 2.9Å; L747-K749 VanDerWaalsContact C-N 3.3Å; L747-K749 PolarHBondContact O-N 3.49Å; L747-Y750 WeakPolarHBondContact O-CB 3.48Å; L747-Y750 PolarHBondContact O-N 3.49Å; L747-L751 HydrophobicContact CD1-CD1 4.39Å; L747-L751 HydrophobicContact CD1-CG 4.33Å; L747-L751 HydrophobicContact CG-CD1 4.2Å; L747-L751 WeakPolarHBondContact O-CG 3.44Å; L747-L751 PolarHBondContact O-N 2.95Å; L747-P762 HydrophobicContact CD1-CB 4.34Å; L747-P762 HydrophobicContact CD2-CG 4.39Å; L747-F764 HydrophobicContact CD2-CE2 4.32Å; L747-V1181 HydrophobicContact CD2-CG1 3.92Å |
| 748 | T | 78.8 | Confident | 74.3 | Confident | 77 Ų | 77 | 71.9 Ų | 71.9 | 47% | 0.472 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -59.4 | -42.5 | 175.6 | -61.3 | 0 | 0 | 0 | 0 | 111.1 | L744 L751 S752 | L744-T748 WeakPolarHBondContact O-CB 3.33Å; L744-T748 PolarHBondContact O-N 2.88Å; L744-T748 PolarHBondContact O-OG1 3.15Å; T748-L751 PolarHBondContact O-N 3.44Å; T748-S752 WeakPolarHBondContact O-CB 3.45Å; T748-S752 PolarHBondContact O-N 2.6Å |
| 749 | K | 81.8 | Confident | 72.5 | Confident | 85 Ų | 85 | 73.7 Ų | 73.7 | 37% | 0.37 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -63 | -46.8 | 174.6 | -168.4 | 174.4 | -177.4 | -179.2 | 0 | 111.4 | Y709 L714 S745 T746 L747 L751 S752 T753 | Y709-K749 HydrophobicContact CE2-CD 3.71Å; Y709-K749 WeakPolarHBondContact OH-CD 3.44Å; Y709-K749 PolarHBondContact OH-NZ 3.45Å; L714-K749 HydrophobicContact CD1-CG 4.1Å; L714-K749 HydrophobicContact CD2-CD 4.09Å; L714-K749 HydrophobicContact CD2-CG 4.41Å; S745-K749 PolarHBondContact O-N 2.95Å; S745-K749 VanDerWaalsContact O-N 3.16Å; T746-K749 PolarHBondContact O-N 3.29Å; L747-K749 VanDerWaalsContact C-N 3.3Å; L747-K749 PolarHBondContact O-N 3.49Å; K749-L751 VanDerWaalsContact C-N 3.35Å; K749-L751 PolarHBondContact O-N 3.48Å; K749-S752 PolarHBondContact O-N 3.26Å; K749-S752 VanDerWaalsContact O-N 3.16Å; K749-S752 PolarHBondContact O-OG 3.22Å; K749-T753 PolarHBondContact O-N 3.4Å; K749-T753 VanDerWaalsContact O-N 3.09Å; K749-T753 PolarHBondContact O-OG1 3.43Å |
| 750 | Y | 80 | Confident | 71 | Confident | 79 Ų | 79 | 78.6 Ų | 78.6 | 31% | 0.31 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -57.7 | -43.3 | 177.4 | 177.2 | -102 | 0 | 0 | 0 | 113.1 | L714 T715 T746 L747 T753 N754 | L714-Y750 HydrophobicContact CB-CD2 3.89Å; T715-Y750 HydrophobicContact CG2-CE2 3.8Å; T746-Y750 WeakPolarHBondContact O-CB 3.22Å; T746-Y750 PolarHBondContact O-N 3.36Å; L747-Y750 WeakPolarHBondContact O-CB 3.48Å; L747-Y750 PolarHBondContact O-N 3.49Å; Y750-T753 PolarHBondContact O-N 3.12Å; Y750-N754 WeakPolarHBondContact CE2-ND2 3.07Å; Y750-N754 PolarHBondContact O-N 3.05Å; Y750-N754 PolarHBondContact O-ND2 3.4Å |
| 751 | L | 72.8 | Confident | 69.8 | Low | 49 Ų | 49 | 80.2 Ų | 80.2 | 26% | 0.257 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -68.9 | -35.9 | 176.7 | -67.8 | 173.9 | 0 | 0 | 0 | 112.2 | L747 T748 K749 T753 Q759 V1181 | L747-L751 HydrophobicContact CD1-CD1 4.39Å; L747-L751 HydrophobicContact CD1-CG 4.33Å; L747-L751 HydrophobicContact CG-CD1 4.2Å; L747-L751 WeakPolarHBondContact O-CG 3.44Å; L747-L751 PolarHBondContact O-N 2.95Å; T748-L751 PolarHBondContact O-N 3.44Å; K749-L751 VanDerWaalsContact C-N 3.35Å; K749-L751 PolarHBondContact O-N 3.48Å; L751-T753 VanDerWaalsContact C-N 3.31Å; L751-T753 PolarHBondContact O-N 3.17Å; L751-Q759 PolarHBondContact O-NE2 3.26Å; L751-V1181 HydrophobicContact CD1-CG1 4.47Å |
| 752 | S | 74.1 | Confident | 68.9 | Low | 60 Ų | 60 | 77 Ų | 77 | 42% | 0.42 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -67.2 | -30.3 | 177.1 | 76.3 | 0 | 0 | 0 | 0 | 113.4 | T748 K749 | T748-S752 WeakPolarHBondContact O-CB 3.45Å; T748-S752 PolarHBondContact O-N 2.6Å; K749-S752 PolarHBondContact O-N 3.26Å; K749-S752 VanDerWaalsContact O-N 3.16Å; K749-S752 PolarHBondContact O-OG 3.22Å |
| 753 | T | 73.7 | Confident | 68 | Low | 92 Ų | 92 | 79.9 Ų | 79.9 | 56% | 0.564 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -81.6 | -33 | -180 | -52.3 | 0 | 0 | 0 | 0 | 112.8 | K749 Y750 L751 R755 | K749-T753 PolarHBondContact O-N 3.4Å; K749-T753 VanDerWaalsContact O-N 3.09Å; K749-T753 PolarHBondContact O-OG1 3.43Å; Y750-T753 PolarHBondContact O-N 3.12Å; L751-T753 VanDerWaalsContact C-N 3.31Å; L751-T753 PolarHBondContact O-N 3.17Å; T753-R755 PolarHBondContact O-N 3.15Å |
| 754 | N | 63.2 | Low | 67.2 | Low | 49 Ų | 49 | 79.5 Ų | 79.5 | 26% | 0.262 | 40% | 0.401 | S | S | . | . | trans | -98.5 | 53 | -176.4 | -78.4 | -56.7 | 0 | 0 | 0 | 113.3 | Y750 D756 Q759 | Y750-N754 WeakPolarHBondContact CE2-ND2 3.07Å; Y750-N754 PolarHBondContact O-N 3.05Å; Y750-N754 PolarHBondContact O-ND2 3.4Å; N754-D756 VanDerWaalsContact C-N 3.33Å; N754-D756 PolarHBondContact O-N 3.25Å; N754-Q759 PolarHBondContact O-NE2 2.97Å | ||
| 755 | R | 56.2 | Low | 66.5 | Low | 195 Ų | 195 | 81.2 Ų | 81.2 | 74% | 0.736 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -26.2 | -177.7 | -65.4 | -164.6 | -172 | -150.3 | 4.6 | 114.8 | T753 | T753-R755 PolarHBondContact O-N 3.15Š|
| 756 | D | 49.9 | Very low | 65.8 | Low | 163 Ų | 163 | 78.6 Ų | 78.6 | 87% | 0.872 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.6 | 1.7 | -167.2 | -59.7 | -32.5 | 0 | 0 | 0 | 115.5 | N754 | N754-D756 VanDerWaalsContact C-N 3.33Å; N754-D756 PolarHBondContact O-N 3.25Å |
| 757 | K | 46.5 | Very low | 65.1 | Low | 155 Ų | 155 | 78.7 Ų | 78.7 | 67% | 0.674 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -105.1 | 133.3 | 175.9 | -66.7 | -176.5 | 180 | 178.3 | 0 | 109 | Q759 | K757-Q759 WeakPolarHBondContact O-CA 3.19Å; K757-Q759 WeakPolarHBondContact O-CG 3.5Å; K757-Q759 PolarHBondContact O-N 3.2Å |
| 758 | E | 43.1 | Very low | 64.7 | Low | 195 Ų | 195 | 81.1 Ų | 81.1 | 91% | 0.911 | 41% | 0.407 | S | S | * | . | trans | -35.6 | 95.8 | 173.6 | -65.6 | 175.3 | 166.7 | 0 | 0 | 111.5 | T760 | E758-T760 PolarHBondContact O-N 2.68Š| ||
| 759 | Q | 48.5 | Very low | 64.5 | Low | 97 Ų | 97 | 78.6 Ų | 78.6 | 45% | 0.453 | 39% | 0.391 | S | S | . | . | trans | -80.9 | 95.1 | -168.4 | -72.3 | -168.2 | -11.1 | 0 | 0 | 109.7 | L751 N754 K757 | L751-Q759 PolarHBondContact O-NE2 3.26Å; N754-Q759 PolarHBondContact O-NE2 2.97Å; K757-Q759 WeakPolarHBondContact O-CA 3.19Å; K757-Q759 WeakPolarHBondContact O-CG 3.5Å; K757-Q759 PolarHBondContact O-N 3.2Å | ||
| 760 | T | 54.2 | Low | 64.1 | Low | 109 Ų | 109 | 75.9 Ų | 75.9 | 67% | 0.669 | 38% | 0.38 | S | S | * | . | P | Polyproline II helix | trans | -70.1 | 140.6 | 161 | 55.2 | 0 | 0 | 0 | 0 | 109.7 | E758 | E758-T760 PolarHBondContact O-N 2.68Š|
| 761 | L | 57 | Low | 63.7 | Low | 33 Ų | 33 | 75.1 Ų | 75.1 | 17% | 0.173 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -52 | 133.1 | 174.5 | -74.2 | 162.6 | 0 | 0 | 0 | 110.6 | K1182 K1184 | L761-K1182 HydrophobicContact CD2-CB 3.51Å; L761-K1184 HydrophobicContact CB-CB 4.22Å; L761-K1184 HydrophobicContact CB-CD 3.91Å; L761-K1184 HydrophobicContact CB-CG 3.83Å; L761-K1184 HydrophobicContact CD1-CB 4.45Å; L761-K1184 VanDerWaalsContact O-CE 3.24Å; L761-K1184 WeakPolarHBondContact O-CE 3.36Å |
| 762 | P | 65.5 | Low | 63.7 | Low | 29 Ų | 29 | 78.6 Ų | 78.6 | 19% | 0.188 | 40% | 0.396 | C | S | . | . | P | Polyproline II helix | trans | -63.7 | 137.9 | 179 | 26 | -33.2 | 0 | 0 | 0 | 111 | L747 F764 K1184 | L747-P762 HydrophobicContact CD1-CB 4.34Å; L747-P762 HydrophobicContact CD2-CG 4.39Å; P762-F764 PolarHBondContact O-N 3.32Å; P762-K1184 PolarHBondContact O-N 3.07Å |
| 763 | E | 65.9 | Low | 63.7 | Low | 122 Ų | 122 | 78.5 Ų | 78.5 | 57% | 0.57 | 39% | 0.39 | S | S | * | . | B | Isolated β-bridge | trans | -72.1 | 120.8 | 173.5 | -174 | 174.5 | -178 | 0 | 0 | 109.5 | K1184 | E763-K1184 WeakPolarHBondContact CA-O 3.4Å |
| 764 | F | 68.8 | Low | 64 | Low | 6 Ų | 6 | 74.1 Ų | 74.1 | 3% | 0.026 | 36% | 0.364 | C | S | . | . | P | Polyproline II helix | trans | -95 | 129.5 | -176 | -143 | -87.4 | 0 | 0 | 0 | 110.5 | Y743 L744 L747 P762 L766 F1093 W1095 K1184 | Y743-F764 HydrophobicContact CD1-CE2 4.34Å; Y743-F764 AromaticContact CD1-CZ 3.95Å; Y743-F764 HydrophobicContact CD1-CZ 3.95Å; Y743-F764 HydrophobicContact CE1-CD2 4.48Å; Y743-F764 HydrophobicContact CE1-CE1 4.49Å; Y743-F764 AromaticContact CE1-CE2 3.57Å; Y743-F764 HydrophobicContact CE1-CE2 3.57Å; Y743-F764 AromaticContact CE1-CZ 3.51Å; Y743-F764 HydrophobicContact CE1-CZ 3.51Å; L744-F764 HydrophobicContact CD2-CE2 4.31Å; L744-F764 HydrophobicContact CD2-CZ 4.4Å; L747-F764 HydrophobicContact CD2-CE2 4.32Å; P762-F764 PolarHBondContact O-N 3.32Å; F764-L766 HydrophobicContact CD1-CB 4.05Å; F764-L766 WeakPolarHBondContact CD1-O 3.38Å; F764-L766 HydrophobicContact CE1-CB 4.18Å; F764-L766 PolarHBondContact O-N 2.98Å; F764-L766 VanDerWaalsContact O-N 3.16Å; F764-F1093 HydrophobicContact CB-CE2 4.32Å; F764-F1093 HydrophobicContact CB-CZ 3.88Å; F764-F1093 HydrophobicContact CG-CE2 4.41Å; F764-F1093 HydrophobicContact CG-CZ 4.38Å; F764-W1095 HydrophobicContact CD1-CE3 4.47Å; F764-W1095 HydrophobicContact CE1-CD2 4.08Å; F764-W1095 AromaticContact CE1-CE3 3.54Å; F764-W1095 HydrophobicContact CE1-CE3 3.54Å; F764-W1095 AromaticContact CE1-CH2 3.82Å; F764-W1095 HydrophobicContact CE1-CH2 3.82Å; F764-W1095 HydrophobicContact CE1-CZ2 4.39Å; F764-W1095 AromaticContact CE1-CZ3 3.45Å; F764-W1095 HydrophobicContact CE1-CZ3 3.45Å; F764-W1095 VanDerWaalsContact CE1-CZ3 3.45Å; F764-W1095 AromaticContact CE2-CE3 3.65Å; F764-W1095 HydrophobicContact CE2-CE3 3.65Å; F764-W1095 AromaticContact CE2-CZ3 3.86Å; F764-W1095 HydrophobicContact CE2-CZ3 3.86Å; F764-W1095 HydrophobicContact CZ-CD2 4.08Å; F764-W1095 AromaticContact CZ-CE3 3.11Å; F764-W1095 HydrophobicContact CZ-CE3 3.11Å; F764-W1095 AromaticContact CZ-CH2 3.76Å; F764-W1095 HydrophobicContact CZ-CH2 3.76Å; F764-W1095 AromaticContact CZ-CZ3 2.96Å; F764-W1095 HydrophobicContact CZ-CZ3 2.96Å; F764-K1184 PolarHBondContact N-O 3.04Å |
| 765 | P | 67.9 | Low | 64.8 | Low | 46 Ų | 46 | 73 Ų | 73 | 30% | 0.299 | 36% | 0.356 | S | S | . | . | trans | -70.3 | -10 | -178.8 | 27.2 | -34.4 | 0 | 0 | 0 | 113.9 | L725 | L725-P765 HydrophobicContact CB-CG 4.14Å; L725-P765 HydrophobicContact CD1-CG 3.98Å | ||
| 766 | L | 66.8 | Low | 66.1 | Low | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 32% | 0.321 | C | S | . | . | trans | -131 | 146 | -175.9 | -63.5 | 169.8 | 0 | 0 | 0 | 111.2 | L725 F764 P966 M967 | L725-L766 HydrophobicContact CB-CD1 4.13Å; L725-L766 HydrophobicContact CB-CG 4.49Å; L725-L766 HydrophobicContact CD1-CD1 4.39Å; F764-L766 HydrophobicContact CD1-CB 4.05Å; F764-L766 WeakPolarHBondContact CD1-O 3.38Å; F764-L766 HydrophobicContact CE1-CB 4.18Å; F764-L766 PolarHBondContact O-N 2.98Å; F764-L766 VanDerWaalsContact O-N 3.16Å; L766-P966 HydrophobicContact CD2-CG 3.21Å; L766-M967 HydrophobicContact CD1-CG 4.06Å; L766-M967 HydrophobicContact CD1-SD 3.47Å; L766-M967 WeakPolarHBondContact CD1-SD 3.14Å; L766-M967 HydrophobicContact CD2-CG 4.34Å | ||
| 767 | P | 71.4 | Confident | 67.5 | Low | 5 Ų | 5 | 57.8 Ų | 57.8 | 3% | 0.032 | 29% | 0.289 | C | S | . | . | S | Bend | cis | -78 | 161.5 | -7.4 | 30.2 | -29.8 | 0 | 0 | 0 | 111.8 | L963 L971 F973 I1061 I1185 | P767-L963 HydrophobicContact CB-CB 4.24Å; P767-L963 HydrophobicContact CG-CB 4.18Å; P767-L963 HydrophobicContact CG-CD1 3.92Å; P767-L963 HydrophobicContact CG-CD2 4.08Å; P767-L963 HydrophobicContact CG-CG 4.28Å; P767-L971 HydrophobicContact CB-CD1 4.4Å; P767-F973 HydrophobicContact CB-CZ 4.46Å; P767-F973 HydrophobicContact CG-CE2 3.99Å; P767-F973 HydrophobicContact CG-CZ 3.89Å; P767-I1061 HydrophobicContact CB-CD1 3.9Å; P767-I1061 HydrophobicContact CG-CD1 4.01Å; P767-I1185 VanDerWaalsContact CD-CD1 3.48Å; P767-I1185 HydrophobicContact CG-CD1 4.31Å; P767-I1185 WeakPolarHBondContact O-CD1 3.49Å |
| 768 | I | 72 | Confident | 68.8 | Low | 57 Ų | 57 | 51.9 Ų | 51.9 | 29% | 0.292 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 131.5 | 179.4 | -60.5 | 174.6 | 0 | 0 | 0 | 109 | I964 P966 | I768-I964 PolarHBondContact N-O 2.83Å; I768-I964 PolarHBondContact O-N 3.37Å; I768-P966 HydrophobicContact CD1-CB 4.05Å; I768-P966 HydrophobicContact CD1-CG 3.77Å; I768-P966 HydrophobicContact CG1-CG 4.17Å |
| 769 | I | 74.4 | Confident | 69.9 | Low | 24 Ų | 24 | 43.8 Ų | 43.8 | 12% | 0.123 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 122 | 177.4 | -56.7 | 173.8 | 0 | 0 | 0 | 109.5 | L771 I961 L963 I1185 F1187 | I769-L771 HydrophobicContact CB-CD2 4.45Å; I769-L771 HydrophobicContact CG2-CD2 3.87Å; I769-L771 PolarHBondContact O-N 3.34Å; I769-L771 VanDerWaalsContact O-N 3.14Å; I769-I961 HydrophobicContact CG1-CG2 4.4Å; I769-I961 HydrophobicContact CG2-CG2 3.71Å; I769-L963 HydrophobicContact CG1-CD2 3.85Å; I769-I1185 HydrophobicContact CD1-CB 4.4Å; I769-I1185 HydrophobicContact CD1-CG2 3.4Å; I769-I1185 HydrophobicContact CG1-CG2 4.11Å; I769-F1187 HydrophobicContact CD1-CD1 3.46Å; I769-F1187 VanDerWaalsContact CD1-CD1 3.46Å; I769-F1187 HydrophobicContact CD1-CE1 3.44Å; I769-F1187 VanDerWaalsContact CD1-CE1 3.44Å |
| 770 | D | 73.8 | Confident | 70.7 | Confident | 29 Ų | 29 | 43.9 Ų | 43.9 | 16% | 0.155 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 95.9 | 167.6 | -179.7 | 7.5 | 0 | 0 | 0 | 109.9 | H772 N773 F774 T962 I964 | D770-H772 PolarHBondContact O-N 3.21Å; D770-H772 WeakPolarHBondContact OD1-CB 3.32Å; D770-H772 IonicContact OD1-CD2 3.86Å; D770-H772 IonicContact OD1-CG 3.96Å; D770-H772 PolarHBondContact OD1-N 3.41Å; D770-N773 PolarHBondContact O-N 3.36Å; D770-N773 PolarHBondContact OD2-ND2 3.23Å; D770-F774 PolarHBondContact O-N 2.73Å; D770-T962 HydrophobicContact CB-CG2 4.13Å; D770-T962 PolarHBondContact N-O 3.1Å; D770-I964 HydrophobicContact CB-CD1 3.83Å; D770-I964 HydrophobicContact CB-CG1 4.19Å |
| 771 | L | 72.7 | Confident | 70.8 | Confident | 62 Ų | 62 | 40.2 Ų | 40.2 | 33% | 0.325 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | -24.5 | 179.8 | -62.2 | -177.5 | 0 | 0 | 0 | 112.7 | I769 N773 F774 P941 L1203 | I769-L771 HydrophobicContact CB-CD2 4.45Å; I769-L771 HydrophobicContact CG2-CD2 3.87Å; I769-L771 PolarHBondContact O-N 3.34Å; I769-L771 VanDerWaalsContact O-N 3.14Å; L771-N773 VanDerWaalsContact C-N 3.31Å; L771-N773 PolarHBondContact O-N 3.2Å; L771-F774 WeakPolarHBondContact O-CB 3.36Å; L771-F774 PolarHBondContact O-N 3.26Å; L771-P941 WeakPolarHBondContact O-CG 3.43Å; L771-L1203 HydrophobicContact CD1-CD1 4.5Å; L771-L1203 HydrophobicContact CD2-CD1 3.74Å; L771-L1203 HydrophobicContact CD2-CD2 4.19Å |
| 772 | H | 72.8 | Confident | 70.3 | Confident | 122 Ų | 122 | 42.5 Ų | 42.5 | 57% | 0.565 | 23% | 0.23 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -70.3 | -30.1 | -179.1 | -63.3 | -63.7 | 0 | 0 | 0 | 112.7 | D770 | D770-H772 PolarHBondContact O-N 3.21Å; D770-H772 WeakPolarHBondContact OD1-CB 3.32Å; D770-H772 IonicContact OD1-CD2 3.86Å; D770-H772 IonicContact OD1-CG 3.96Å; D770-H772 PolarHBondContact OD1-N 3.41Å |
| 773 | N | 73.2 | Confident | 69.3 | Low | 58 Ų | 58 | 48.3 Ų | 48.3 | 31% | 0.31 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 11.6 | -179.9 | -74.2 | -49.7 | 0 | 0 | 0 | 113.4 | D770 L771 T962 | D770-N773 PolarHBondContact O-N 3.36Å; D770-N773 PolarHBondContact OD2-ND2 3.23Å; L771-N773 VanDerWaalsContact C-N 3.31Å; L771-N773 PolarHBondContact O-N 3.2Å; N773-T962 HydrophobicContact CB-CG2 4.33Å; N773-T962 WeakPolarHBondContact CB-OG1 3.38Å |
| 774 | F | 79.9 | Confident | 68 | Low | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 129.8 | 173.8 | -172.6 | -87.7 | 0 | 0 | 0 | 110.2 | D770 L771 I776 P941 V959 I961 F1187 L1203 L1205 | D770-F774 PolarHBondContact O-N 2.73Å; L771-F774 WeakPolarHBondContact O-CB 3.36Å; L771-F774 PolarHBondContact O-N 3.26Å; F774-I776 HydrophobicContact CD1-CG1 4.4Å; F774-I776 HydrophobicContact CE1-CD1 3.81Å; F774-I776 HydrophobicContact CE1-CG1 3.61Å; F774-I776 HydrophobicContact CZ-CD1 4.31Å; F774-I776 HydrophobicContact CZ-CG1 4.22Å; F774-P941 HydrophobicContact CB-CG 4.23Å; F774-P941 WeakPolarHBondContact O-CD 3.31Å; F774-V959 HydrophobicContact CE1-CG1 4.33Å; F774-V959 HydrophobicContact CE2-CG1 3.78Å; F774-V959 HydrophobicContact CZ-CG1 3.55Å; F774-I961 HydrophobicContact CD2-CG1 4.18Å; F774-I961 HydrophobicContact CD2-CG2 4.48Å; F774-I961 HydrophobicContact CE2-CD1 4.41Å; F774-I961 HydrophobicContact CE2-CG1 3.91Å; F774-F1187 HydrophobicContact CE2-CD2 4.27Å; F774-F1187 HydrophobicContact CE2-CE1 4.49Å; F774-F1187 HydrophobicContact CE2-CE2 4.02Å; F774-F1187 HydrophobicContact CE2-CZ 4.15Å; F774-F1187 HydrophobicContact CZ-CD2 4.36Å; F774-F1187 HydrophobicContact CZ-CE2 4.23Å; F774-L1203 HydrophobicContact CB-CD2 3.91Å; F774-L1203 HydrophobicContact CD1-CD2 3.58Å; F774-L1203 HydrophobicContact CD2-CD2 4.34Å; F774-L1203 HydrophobicContact CE1-CD2 4.12Å; F774-L1203 HydrophobicContact CG-CD2 3.7Å; F774-L1205 HydrophobicContact CE1-CD2 4.44Å; F774-L1205 HydrophobicContact CZ-CD2 4.12Å |
| 775 | K | 80.9 | Confident | 66.4 | Low | 26 Ų | 26 | 60.1 Ų | 60.1 | 11% | 0.113 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 137.5 | -178.7 | -61.4 | -179.6 | -179.7 | 167.4 | 0 | 110.5 | E804 Y939 T940 R960 | K775-E804 IonicContact NZ-OE1 3.74Å; K775-E804 PolarHBondContact NZ-OE1 2.84Å; K775-Y939 WeakPolarHBondContact CA-O 3.33Å; K775-T940 HydrophobicContact CG-CG2 4.32Å; K775-R960 HydrophobicContact CB-CB 4.29Å; K775-R960 PolarHBondContact N-O 2.87Å; K775-R960 PolarHBondContact O-N 2.89Å |
| 776 | I | 83.3 | Confident | 64.7 | Low | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 128.5 | 168.8 | -55.7 | -177 | 0 | 0 | 0 | 108.3 | F774 I938 Y939 L957 T958 V959 I1088 P1204 W1207 | F774-I776 HydrophobicContact CD1-CG1 4.4Å; F774-I776 HydrophobicContact CE1-CD1 3.81Å; F774-I776 HydrophobicContact CE1-CG1 3.61Å; F774-I776 HydrophobicContact CZ-CD1 4.31Å; F774-I776 HydrophobicContact CZ-CG1 4.22Å; I776-I938 WeakPolarHBondContact O-CA 3.3Å; I776-Y939 PolarHBondContact N-O 2.77Å; I776-Y939 PolarHBondContact O-N 3.48Å; I776-L957 HydrophobicContact CG2-CD1 3.44Å; I776-L957 VanDerWaalsContact CG2-CD1 3.44Å; I776-L957 HydrophobicContact CG2-CD2 4.36Å; I776-L957 HydrophobicContact CG2-CG 3.78Å; I776-T958 WeakPolarHBondContact CA-O 3.26Å; I776-V959 HydrophobicContact CG1-CG1 4.3Å; I776-V959 HydrophobicContact CG1-CG2 4.42Å; I776-I1088 HydrophobicContact CD1-CD1 3.97Å; I776-P1204 HydrophobicContact CD1-CG 4.11Å; I776-P1204 WeakPolarHBondContact CD1-O 3.39Å; I776-W1207 HydrophobicContact CB-CZ2 3.93Å; I776-W1207 HydrophobicContact CD1-CZ2 4.19Å; I776-W1207 HydrophobicContact CG2-CH2 4.11Å; I776-W1207 HydrophobicContact CG2-CZ2 3.47Å; I776-W1207 VanDerWaalsContact CG2-CZ2 3.47Å |
| 777 | I | 80 | Confident | 63.1 | Low | 39 Ų | 39 | 74.3 Ų | 74.3 | 20% | 0.2 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 128.4 | -172.6 | -54.6 | 173.4 | 0 | 0 | 0 | 108 | I937 I938 T958 | I777-I937 WeakPolarHBondContact CA-O 3.2Å; I777-I937 HydrophobicContact CG2-CG2 4.31Å; I777-I938 HydrophobicContact CG1-CG1 4.37Å; I777-I938 HydrophobicContact CG1-CG2 4.44Å; I777-I938 HydrophobicContact CG2-CG1 4.49Å; I777-T958 PolarHBondContact N-O 2.94Å; I777-T958 WeakPolarHBondContact O-CA 3.46Å; I777-T958 WeakPolarHBondContact O-CB 3.38Å; I777-T958 PolarHBondContact O-N 2.75Å |
| 778 | I | 72.6 | Confident | 61.2 | Low | 31 Ų | 31 | 82.7 Ų | 82.7 | 16% | 0.159 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 122.7 | 170.7 | -53.8 | 172.1 | 0 | 0 | 0 | 108.6 | I937 Y939 F951 L957 W1207 | I778-I937 HydrophobicContact CB-CG2 4.23Å; I778-I937 PolarHBondContact N-O 2.98Å; I778-I937 WeakPolarHBondContact O-CG2 3.45Å; I778-Y939 HydrophobicContact CD1-CE2 4.31Å; I778-F951 HydrophobicContact CD1-CB 4.12Å; I778-F951 HydrophobicContact CG1-CB 4.29Å; I778-L957 HydrophobicContact CG1-CD1 4.23Å; I778-W1207 HydrophobicContact CD1-CH2 4.4Å; I778-W1207 HydrophobicContact CD1-CZ3 4.04Å; I778-W1207 HydrophobicContact CG1-CH2 4.3Å; I778-W1207 HydrophobicContact CG1-CZ3 4.22Å |
| 779 | G | 67.4 | Low | 59.3 | Low | 25 Ų | 25 | 83.6 Ų | 83.6 | 26% | 0.258 | 42% | 0.416 | S | S | . | . | S | Bend | trans | 112.4 | 168.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | H956 T958 | G779-H956 PolarHBondContact N-O 3.31Å; G779-T958 WeakPolarHBondContact O-CB 3.13Å; G779-T958 PolarHBondContact O-OG1 2.81Å |
| 780 | K | 64.9 | Low | 57.3 | Low | 98 Ų | 98 | 89.8 Ų | 89.8 | 43% | 0.426 | 45% | 0.449 | S | S | . | . | trans | -65.4 | 153.2 | -179.2 | -75.9 | -171.3 | 173.9 | -172.3 | 0 | 112.8 | R796 H956 | K780-R796 PolarHBondContact O-NH1 3.31Å; K780-H956 WeakPolarHBondContact CE-NE2 3.44Å; K780-H956 HydrophobicContact CG-CB 4.36Å | ||
| 781 | P | 55.4 | Low | 55.7 | Low | 33 Ų | 33 | 95.1 Ų | 95.1 | 21% | 0.214 | 48% | 0.477 | C | S | . | . | trans | -52.9 | 147.5 | 171.8 | -22.2 | 29.4 | 0 | 0 | 0 | 114.2 | Q783 R796 T958 Q1075 | P781-Q783 PolarHBondContact O-N 2.91Å; P781-R796 VanDerWaalsContact C-NH1 3.32Å; P781-R796 PolarHBondContact O-NH1 3.14Å; P781-R796 PolarHBondContact O-NH2 3.17Å; P781-T958 HydrophobicContact CG-CG2 4.13Å; P781-Q1075 VanDerWaalsContact CA-NE2 3.3Å; P781-Q1075 HydrophobicContact CB-CG 4.22Å; P781-Q1075 VanDerWaalsContact CB-NE2 3.32Å; P781-Q1075 HydrophobicContact CG-CG 4.02Å | ||
| 782 | S | 46.3 | Very low | 54.2 | Low | 81 Ų | 81 | 98 Ų | 98 | 57% | 0.566 | 49% | 0.488 | S | S | * | . | trans | -81.9 | 105.9 | 165.2 | -55.8 | 0 | 0 | 0 | 0 | 108.3 | R784 R796 | S782-R784 PolarHBondContact O-N 3.15Å; S782-R796 PolarHBondContact OG-NH1 3.36Å; S782-R796 VanDerWaalsContact OG-NH1 3.09Å | ||
| 783 | Q | 44 | Very low | 53 | Low | 151 Ų | 151 | 95.4 Ų | 95.4 | 71% | 0.706 | 48% | 0.48 | S | S | * | . | trans | -68.3 | 99 | 167.1 | -73.4 | 174.8 | -10.6 | 0 | 0 | 107.5 | P781 H785 | P781-Q783 PolarHBondContact O-N 2.91Å; Q783-H785 PolarHBondContact O-N 3.1Å; Q783-H785 PolarHBondContact OE1-CD2 3.48Å; Q783-H785 PolarHBondContact OE1-NE2 2.76Å | ||
| 784 | R | 38.7 | Very low | 52.1 | Low | 231 Ų | 231 | 95.1 Ų | 95.1 | 87% | 0.872 | 48% | 0.477 | S | S | * | . | trans | -72.5 | 83.4 | 158.4 | -76.6 | -172.5 | -179.2 | 176.3 | -0.4 | 105.9 | S782 Q786 | S782-R784 PolarHBondContact O-N 3.15Å; R784-Q786 VanDerWaalsContact C-N 3.34Å; R784-Q786 PolarHBondContact O-N 3.31Å | ||
| 785 | H | 35.8 | Very low | 50.8 | Low | 145 Ų | 145 | 95.3 Ų | 95.3 | 67% | 0.671 | 48% | 0.478 | S | S | * | . | trans | -63.9 | 100.4 | 172.3 | -89.5 | -56.9 | 0 | 0 | 0 | 108.9 | Q783 Q787 | Q783-H785 PolarHBondContact O-N 3.1Å; Q783-H785 PolarHBondContact OE1-CD2 3.48Å; Q783-H785 PolarHBondContact OE1-NE2 2.76Å; H785-Q787 VanDerWaalsContact C-N 3.26Å; H785-Q787 PolarHBondContact O-N 2.56Å | ||
| 786 | Q | 32.8 | Very low | 49.4 | Very low | 178 Ų | 178 | 98.3 Ų | 98.3 | 83% | 0.832 | 49% | 0.489 | S | S | * | . | trans | -69 | 89.9 | 148.7 | -73.8 | 175.9 | -14.8 | 0 | 0 | 106.3 | R784 | R784-Q786 VanDerWaalsContact C-N 3.34Å; R784-Q786 PolarHBondContact O-N 3.31Å | ||
| 787 | Q | 33.8 | Very low | 47.7 | Very low | 165 Ų | 165 | 99.6 Ų | 99.6 | 77% | 0.771 | 50% | 0.502 | S | S | * | . | S | Bend | trans | 165.8 | 120 | 153.4 | -91.7 | 157.6 | 46.2 | 0 | 0 | 109.3 | H785 | H785-Q787 VanDerWaalsContact C-N 3.26Å; H785-Q787 PolarHBondContact O-N 2.56Å |
| 788 | Q | 31.4 | Very low | 46.2 | Very low | 182 Ų | 182 | 100 Ų | 100 | 85% | 0.85 | 51% | 0.506 | S | S | * | . | trans | 34.8 | 125.4 | 146.3 | -78.2 | 155.4 | -13.9 | 0 | 0 | 120.5 | ||||
| 789 | A | 32.2 | Very low | 44.6 | Very low | 75 Ų | 75 | 101 Ų | 101 | 62% | 0.62 | 51% | 0.51 | S | S | * | . | S | Bend | trans | 78.7 | 102.9 | 155.3 | 0 | 0 | 0 | 0 | 0 | 118.1 | L791 | A789-L791 VanDerWaalsContact C-N 3.35Å; A789-L791 WeakPolarHBondContact O-CG 3.25Å; A789-L791 PolarHBondContact O-N 2.73Å |
| 790 | D | 32.1 | Very low | 43.3 | Very low | 154 Ų | 154 | 101.6 Ų | 101.6 | 82% | 0.824 | 51% | 0.506 | S | S | * | . | trans | 53.1 | 16 | 136.6 | -70.9 | -8.6 | 0 | 0 | 0 | 122.3 | ||||
| 791 | L | 40.3 | Very low | 41.9 | Very low | 141 Ų | 141 | 98 Ų | 98 | 74% | 0.738 | 49% | 0.493 | S | S | * | . | trans | -112.6 | 112.8 | -174.3 | -64.3 | 170.2 | 0 | 0 | 0 | 113.8 | A789 | A789-L791 VanDerWaalsContact C-N 3.35Å; A789-L791 WeakPolarHBondContact O-CG 3.25Å; A789-L791 PolarHBondContact O-N 2.73Å | ||
| 792 | F | 40.7 | Very low | 41 | Very low | 124 Ų | 124 | 102 Ų | 102 | 54% | 0.544 | 51% | 0.512 | S | S | . | . | trans | 48.3 | 115.8 | 155.2 | -51.8 | -74.6 | 0 | 0 | 0 | 119.8 | F1219 F1220 | F792-F1219 HydrophobicContact CB-CD1 4.26Å; F792-F1220 WeakPolarHBondContact CA-O 3.22Å | ||
| 793 | V | 46.8 | Very low | 40.6 | Very low | 66 Ų | 66 | 101.8 Ų | 101.8 | 40% | 0.4 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 119.8 | 168.7 | -165.7 | 0 | 0 | 0 | 0 | 110.5 | F1220 | V793-F1220 PolarHBondContact N-O 3.25Å; V793-F1220 WeakPolarHBondContact O-CD2 3.46Å; V793-F1220 PolarHBondContact O-N 2.75Å |
| 794 | E | 53.9 | Low | 40.4 | Very low | 53 Ų | 53 | 101.2 Ų | 101.2 | 25% | 0.248 | 51% | 0.505 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 136.7 | 179.2 | -166.8 | -173 | -164.4 | 0 | 0 | 111.5 | R796 R1217 V1218 F1219 | E794-R796 HydrophobicContact CG-CG 4.47Å; E794-R796 IonicContact OE2-CZ 3.46Å; E794-R796 VanDerWaalsContact OE2-CZ 3.27Å; E794-R796 IonicContact OE2-NE 2.66Å; E794-R796 PolarHBondContact OE2-NE 2.64Å; E794-R796 IonicContact OE2-NH2 3.44Å; E794-R796 PolarHBondContact OE2-NH2 2.91Å; E794-R1217 HydrophobicContact CG-CG 3.97Å; E794-R1217 WeakPolarHBondContact OE1-CD 3.2Å; E794-R1217 WeakPolarHBondContact OE1-CG 3.33Å; E794-R1217 IonicContact OE1-NE 3.82Å; E794-R1217 PolarHBondContact OE1-NE 2.8Å; E794-V1218 CarbonylContact C-O 3.39Å; E794-V1218 VanDerWaalsContact CA-O 3.26Å; E794-V1218 WeakPolarHBondContact CA-O 3.47Å; E794-F1219 HydrophobicContact CB-CD1 3.86Å; E794-F1219 HydrophobicContact CB-CE1 3.67Å; E794-F1219 HydrophobicContact CG-CD1 4.08Å; E794-F1219 HydrophobicContact CG-CE1 3.71Å; E794-F1219 HydrophobicContact CG-CZ 4.12Å |
| 795 | A | 54.1 | Low | 40.4 | Very low | 4 Ų | 4 | 97.2 Ų | 97.2 | 3% | 0.033 | 50% | 0.497 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 142.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | V1218 F1220 V1432 H1434 | A795-V1218 HydrophobicContact CB-CB 3.72Å; A795-V1218 HydrophobicContact CB-CG1 4.15Å; A795-V1218 HydrophobicContact CB-CG2 4.37Å; A795-V1218 PolarHBondContact N-O 2.75Å; A795-F1220 HydrophobicContact CB-CE2 4.38Å; A795-V1432 HydrophobicContact CB-CG1 3.59Å; A795-H1434 HydrophobicContact CB-CB 3.64Å |
| 796 | R | 50.2 | Low | 40.3 | Very low | 89 Ų | 89 | 94.7 Ų | 94.7 | 34% | 0.336 | 49% | 0.488 | S | S | . | . | trans | -141.7 | 141.5 | -176.5 | -62.4 | -167.5 | -177.1 | -168.1 | -0.4 | 113.8 | K780 P781 S782 E794 R1433 | K780-R796 PolarHBondContact O-NH1 3.31Å; P781-R796 VanDerWaalsContact C-NH1 3.32Å; P781-R796 PolarHBondContact O-NH1 3.14Å; P781-R796 PolarHBondContact O-NH2 3.17Å; S782-R796 PolarHBondContact OG-NH1 3.36Å; S782-R796 VanDerWaalsContact OG-NH1 3.09Å; E794-R796 HydrophobicContact CG-CG 4.47Å; E794-R796 IonicContact OE2-CZ 3.46Å; E794-R796 VanDerWaalsContact OE2-CZ 3.27Å; E794-R796 IonicContact OE2-NE 2.66Å; E794-R796 PolarHBondContact OE2-NE 2.64Å; E794-R796 IonicContact OE2-NH2 3.44Å; E794-R796 PolarHBondContact OE2-NH2 2.91Å; R796-R1433 CarbonylContact C-O 3.49Å; R796-R1433 PolarHBondContact N-O 3.09Å | ||
| 797 | G | 48.8 | Very low | 40.5 | Very low | 27 Ų | 27 | 90 Ų | 90 | 28% | 0.278 | 47% | 0.466 | S | S | . | . | trans | 76.7 | 156.9 | 159.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | R1433 | G797-R1433 WeakPolarHBondContact O-CB 3.42Å; G797-R1433 PolarHBondContact O-N 2.84Å | ||
| 798 | V | 47.2 | Very low | 40.5 | Very low | 47 Ų | 47 | 89.4 Ų | 89.4 | 29% | 0.285 | 47% | 0.466 | S | S | . | . | S | Bend | trans | -89.8 | -14.4 | 171.2 | -173.9 | 0 | 0 | 0 | 0 | 111.3 | F800 Y1431 | V798-F800 WeakPolarHBondContact O-CE2 3.35Å; V798-Y1431 HydrophobicContact CG1-CD2 4.34Å; V798-Y1431 WeakPolarHBondContact CG2-O 3.39Å |
| 799 | Q | 38.8 | Very low | 40.6 | Very low | 53 Ų | 53 | 85.8 Ų | 85.8 | 25% | 0.248 | 46% | 0.457 | C | S | . | . | trans | -76.8 | 135.6 | -171.6 | -158.5 | 164.3 | -11.2 | 0 | 0 | 111.2 | I937 R1433 | Q799-I937 HydrophobicContact CB-CD1 4.3Å; Q799-R1433 PolarHBondContact O-NE 2.85Å; Q799-R1433 PolarHBondContact O-NH2 2.81Å | ||
| 800 | F | 40.2 | Very low | 40.5 | Very low | 37 Ų | 37 | 89 Ų | 89 | 16% | 0.162 | 46% | 0.463 | C | S | . | . | S | Bend | trans | -92 | -12.5 | -175.6 | -70.1 | -76.9 | 0 | 0 | 0 | 114.9 | V798 L912 L916 V1408 R1433 | V798-F800 WeakPolarHBondContact O-CE2 3.35Å; F800-L912 HydrophobicContact CD1-CB 4.41Å; F800-L912 HydrophobicContact CD1-CD1 3.86Å; F800-L912 HydrophobicContact CE1-CB 4.11Å; F800-L912 HydrophobicContact CE1-CD1 3.88Å; F800-L912 HydrophobicContact CE1-CG 4.46Å; F800-L916 HydrophobicContact CE1-CD1 4.27Å; F800-L916 HydrophobicContact CE2-CD1 3.51Å; F800-L916 HydrophobicContact CZ-CD1 3.27Å; F800-V1408 HydrophobicContact CE1-CG2 4.26Å; F800-R1433 VanDerWaalsContact C-NH1 3.26Å; F800-R1433 VanDerWaalsContact CA-NH1 3.27Å; F800-R1433 PolarHBondContact O-NH1 3.32Å |
| 801 | S | 36.2 | Very low | 40.5 | Very low | 23 Ų | 23 | 89.3 Ų | 89.3 | 16% | 0.161 | 46% | 0.46 | C | S | . | . | trans | -115.9 | 122.5 | 174.6 | 42.3 | 0 | 0 | 0 | 0 | 109.7 | T803 D806 | S801-T803 VanDerWaalsContact C-N 3.27Å; S801-D806 WeakPolarHBondContact CB-OD2 3.47Å; S801-D806 PolarHBondContact OG-OD2 2.95Å | ||
| 802 | D | 37.1 | Very low | 39.8 | Very low | 115 Ų | 115 | 89.5 Ų | 89.5 | 62% | 0.615 | 46% | 0.462 | S | S | * | . | trans | -90.7 | -2.4 | 162.3 | -54.7 | -33.4 | 0 | 0 | 0 | 110.5 | R1433 | D802-R1433 IonicContact OD1-NH2 3.18Å; D802-R1433 PolarHBondContact OD1-NH2 3.33Å; D802-R1433 IonicContact OD2-NH2 3.69Å | ||
| 803 | T | 38.1 | Very low | 39.1 | Very low | 77 Ų | 77 | 91.7 Ų | 91.7 | 47% | 0.472 | 48% | 0.477 | S | S | . | . | S | Bend | trans | -82.3 | 127.2 | -179.9 | 46.4 | 0 | 0 | 0 | 0 | 110 | S801 E805 | S801-T803 VanDerWaalsContact C-N 3.27Å; T803-E805 PolarHBondContact O-N 3.23Å |
| 804 | E | 39.6 | Very low | 38 | Very low | 139 Ų | 139 | 91.3 Ų | 91.3 | 65% | 0.65 | 49% | 0.487 | S | S | * | . | G | 310 helix | trans | -61.7 | -7.5 | 176.2 | -61.4 | 178.7 | 175 | 0 | 0 | 113.5 | K775 D806 E807 | K775-E804 IonicContact NZ-OE1 3.74Å; K775-E804 PolarHBondContact NZ-OE1 2.84Å; E804-D806 VanDerWaalsContact C-N 3.3Å; E804-D806 PolarHBondContact O-N 3.37Å; E804-E807 PolarHBondContact O-N 3.27Å |
| 805 | E | 37.4 | Very low | 36.6 | Very low | 148 Ų | 148 | 96.3 Ų | 96.3 | 69% | 0.692 | 52% | 0.515 | S | S | * | . | G | 310 helix | trans | -69.3 | -17.8 | -170 | -62.6 | -177.1 | 172.8 | 0 | 0 | 114.9 | T803 E807 | T803-E805 PolarHBondContact O-N 3.23Å; E805-E807 PolarHBondContact O-N 2.81Å |
| 806 | D | 34.2 | Very low | 35.1 | Very low | 91 Ų | 91 | 105.1 Ų | 105.1 | 49% | 0.487 | 56% | 0.556 | S | S | . | * | G | 310 helix | trans | -73.1 | -5.8 | 178.9 | -74.2 | -29.2 | 0 | 0 | 0 | 113.4 | S801 E804 I808 | S801-D806 WeakPolarHBondContact CB-OD2 3.47Å; S801-D806 PolarHBondContact OG-OD2 2.95Å; E804-D806 VanDerWaalsContact C-N 3.3Å; E804-D806 PolarHBondContact O-N 3.37Å; D806-I808 VanDerWaalsContact C-N 3.29Å; D806-I808 PolarHBondContact O-N 3.43Å |
| 807 | E | 38.3 | Very low | 33.8 | Very low | 79 Ų | 79 | 108.7 Ų | 108.7 | 37% | 0.369 | 58% | 0.58 | S | S | . | * | G | 310 helix | trans | -74.9 | -11.6 | 176.2 | -75.9 | -163.2 | 158.4 | 0 | 0 | 114.6 | E804 E805 K936 T940 | E804-E807 PolarHBondContact O-N 3.27Å; E805-E807 PolarHBondContact O-N 2.81Å; E807-K936 IonicContact OE1-NZ 3.27Å; E807-T940 PolarHBondContact OE1-OG1 3.04Å; E807-T940 PolarHBondContact OE2-OG1 3.42Å |
| 808 | I | 33.9 | Very low | 32.6 | Very low | 153 Ų | 153 | 112.9 Ų | 112.9 | 79% | 0.785 | 60% | 0.603 | S | S | * | * | G | 310 helix | trans | -87.3 | -9.1 | -176.6 | -58 | 176.6 | 0 | 0 | 0 | 112.4 | D806 | D806-I808 VanDerWaalsContact C-N 3.29Å; D806-I808 PolarHBondContact O-N 3.43Å |
| 809 | V | 32.8 | Very low | 31.4 | Very low | 107 Ų | 107 | 116.6 Ų | 116.6 | 65% | 0.648 | 63% | 0.628 | S | S | * | * | trans | -120.3 | 81.6 | -171.2 | -168.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 810 | N | 30 | Very low | 30.6 | Very low | 142 Ų | 142 | 118.9 Ų | 118.9 | 76% | 0.759 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -168.8 | 96.7 | 149.2 | -83.3 | -40.6 | 0 | 0 | 0 | 110 | ||
| 811 | E | 31.6 | Very low | 29.7 | Very low | 161 Ų | 161 | 123.4 Ų | 123.4 | 75% | 0.752 | 69% | 0.686 | S | S | * | * | trans | 48.2 | 96.5 | 153.6 | -64.5 | -178.7 | 173.5 | 0 | 0 | 117.4 | K944 | E811-K944 PolarHBondContact O-NZ 3.43Š| ||
| 812 | D | 25.4 | Very low | 28.8 | Very low | 144 Ų | 144 | 130.2 Ų | 130.2 | 77% | 0.77 | 72% | 0.717 | S | S | * | * | -132.3 | 91.1 | 127.8 | -74.8 | -48.1 | 0 | 0 | 0 | 105.8 | K944 | D812-K944 IonicContact OD1-NZ 3.6Å; D812-K944 PolarHBondContact OD1-NZ 2.89Å; D812-K944 IonicContact OD2-NZ 3.33Å; D812-K944 PolarHBondContact OD2-NZ 3.46Å | |||
| 813 | I | 25.8 | Very low | 28 | Very low | 170 Ų | 170 | 129.1 Ų | 129.1 | 87% | 0.872 | 72% | 0.718 | S | S | * | * | trans | -94.9 | 104.2 | 163.6 | -63.5 | 172.4 | 0 | 0 | 0 | 104.6 | ||||
| 814 | G | 25.6 | Very low | 27.2 | Very low | 58 Ų | 58 | 135.2 Ų | 135.2 | 60% | 0.598 | 74% | 0.742 | S | S | * | * | S | Bend | trans | 167.9 | 98.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||
| 815 | D | 24.3 | Very low | 26.2 | Very low | 159 Ų | 159 | 133.3 Ų | 133.3 | 85% | 0.85 | 74% | 0.74 | S | S | * | * | trans | 59.1 | 89.4 | 162.4 | -52.7 | -28 | 0 | 0 | 0 | 116.6 | ||||
| 816 | E | 22.2 | Very low | 25.4 | Very low | 188 Ų | 188 | 132.9 Ų | 132.9 | 88% | 0.879 | 74% | 0.74 | S | S | * | * | -167.5 | 122.9 | 116.7 | -104 | 170.6 | -169.3 | 0 | 0 | 109.1 | |||||
| 817 | L | 22.1 | Very low | 24.7 | Very low | 164 Ų | 164 | 137.3 Ų | 137.3 | 86% | 0.859 | 76% | 0.758 | S | S | * | * | trans | -51.4 | 127.4 | 163.3 | -80.2 | 105.5 | 0 | 0 | 0 | 108 | ||||
| 818 | P | 24.8 | Very low | 23.8 | Very low | 115 Ų | 115 | 140 Ų | 140 | 75% | 0.747 | 77% | 0.774 | S | S | * | * | trans | -62.3 | 127.5 | 176.1 | 25.8 | -30.7 | 0 | 0 | 0 | 107.2 | S820 | P818-S820 PolarHBondContact O-N 3.36Š| ||
| 819 | P | 21.6 | Very low | 23.2 | Very low | 125 Ų | 125 | 141.1 Ų | 141.1 | 81% | 0.812 | 78% | 0.776 | S | S | * | * | trans | -62.4 | 111.8 | 180 | 24.4 | -30.1 | 0 | 0 | 0 | 107.3 | S821 | P819-S821 PolarHBondContact O-N 2.99Š| ||
| 820 | S | 21.7 | Very low | 22.6 | Very low | 101 Ų | 101 | 141.7 Ų | 141.7 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | trans | -40.9 | 127.7 | 161.9 | 46.1 | 0 | 0 | 0 | 0 | 109.5 | P818 M822 | P818-S820 PolarHBondContact O-N 3.36Å; S820-M822 PolarHBondContact O-N 3.01Å | ||
| 821 | S | 20.6 | Very low | 22.2 | Very low | 132 Ų | 132 | 141.2 Ų | 141.2 | 92% | 0.923 | 77% | 0.773 | S | S | * | * | trans | -31.5 | 101.5 | 168.4 | -50.4 | 0 | 0 | 0 | 0 | 112.1 | P819 | P819-S821 PolarHBondContact O-N 2.99Š| ||
| 822 | M | 19 | Very low | 21.7 | Very low | 167 Ų | 167 | 140.2 Ų | 140.2 | 82% | 0.823 | 78% | 0.778 | S | S | * | * | trans | -119.7 | 130.3 | 162.1 | -153.9 | -174.5 | -66.4 | 0 | 0 | 107.1 | S820 | S820-M822 PolarHBondContact O-N 3.01Š| ||
| 823 | S | 19.8 | Very low | 21.6 | Very low | 91 Ų | 91 | 139.5 Ų | 139.5 | 64% | 0.636 | 77% | 0.774 | S | S | * | * | trans | 88.9 | 67 | 166.8 | -38 | 0 | 0 | 0 | 0 | 115.7 | V825 | S823-V825 PolarHBondContact O-N 3Š| ||
| 824 | Q | 19.8 | Very low | 21.5 | Very low | 205 Ų | 205 | 137.2 Ų | 137.2 | 96% | 0.958 | 77% | 0.771 | S | S | * | * | -65.3 | 93 | 120.9 | -79.5 | -178.8 | -23.7 | 0 | 0 | 107 | |||||
| 825 | V | 20.1 | Very low | 21.3 | Very low | 100 Ų | 100 | 142.5 Ų | 142.5 | 61% | 0.606 | 78% | 0.777 | S | S | * | * | trans | -136.6 | 104.2 | 164.9 | 173.1 | 0 | 0 | 0 | 0 | 106.6 | S823 | S823-V825 PolarHBondContact O-N 3Š| ||
| 826 | I | 20.1 | Very low | 21.2 | Very low | 138 Ų | 138 | 140.5 Ų | 140.5 | 71% | 0.708 | 77% | 0.767 | S | S | * | * | trans | 82.3 | 100.5 | 143.9 | -60 | 170.7 | 0 | 0 | 0 | 115.8 | L828 | I826-L828 PolarHBondContact O-N 3.5Š| ||
| 827 | E | 18.6 | Very low | 21.3 | Very low | 184 Ų | 184 | 140.1 Ų | 140.1 | 86% | 0.86 | 77% | 0.771 | S | S | * | * | trans | -31.8 | 111.5 | 136.4 | -68.8 | 169.1 | 161.1 | 0 | 0 | 111.5 | ||||
| 828 | L | 20.1 | Very low | 21.4 | Very low | 136 Ų | 136 | 136.7 Ų | 136.7 | 71% | 0.712 | 76% | 0.757 | S | S | * | * | trans | -108.3 | 81.8 | 145.8 | -91.2 | 154.9 | 0 | 0 | 0 | 106.3 | I826 N830 | I826-L828 PolarHBondContact O-N 3.5Å; L828-N830 HydrophobicContact CD2-CB 4.31Å; L828-N830 WeakPolarHBondContact CD2-ND2 3.43Å; L828-N830 PolarHBondContact O-N 2.94Å | ||
| 829 | E | 20.9 | Very low | 21.3 | Very low | 177 Ų | 177 | 140 Ų | 140 | 83% | 0.827 | 76% | 0.762 | S | S | * | * | trans | -61.9 | 114 | 138.1 | -75.1 | -169.4 | 159.2 | 0 | 0 | 106.2 | ||||
| 830 | N | 20.7 | Very low | 21.4 | Very low | 118 Ų | 118 | 140.3 Ų | 140.3 | 63% | 0.631 | 75% | 0.751 | S | S | * | * | trans | -150.8 | 99.5 | 159.1 | -96.7 | -26.6 | 0 | 0 | 0 | 108.4 | L828 | L828-N830 HydrophobicContact CD2-CB 4.31Å; L828-N830 WeakPolarHBondContact CD2-ND2 3.43Å; L828-N830 PolarHBondContact O-N 2.94Å | ||
| 831 | N | 21.8 | Very low | 21.5 | Very low | 132 Ų | 132 | 144.9 Ų | 144.9 | 71% | 0.706 | 76% | 0.761 | S | S | * | * | trans | 58.1 | 80.3 | 137.6 | -59.5 | -17.5 | 0 | 0 | 0 | 117.1 | ||||
| 832 | T | 21.8 | Very low | 21.7 | Very low | 140 Ų | 140 | 147.3 Ų | 147.3 | 86% | 0.859 | 76% | 0.755 | S | S | * | * | trans | -86.4 | 93.2 | 134.7 | 43.9 | 0 | 0 | 0 | 0 | 107.9 | P834 | T832-P834 WeakPolarHBondContact O-CD 3.12Š| ||
| 833 | D | 22.5 | Very low | 21.8 | Very low | 129 Ų | 129 | 144.1 Ų | 144.1 | 69% | 0.69 | 74% | 0.737 | S | S | * | * | trans | -56.6 | 124.5 | 156.1 | -84.4 | -42.5 | 0 | 0 | 0 | 108.5 | F835 | D833-F835 PolarHBondContact O-N 2.83Š| ||
| 834 | P | 23.8 | Very low | 22.2 | Very low | 123 Ų | 123 | 146.2 Ų | 146.2 | 80% | 0.799 | 75% | 0.746 | S | S | * | * | trans | -88.3 | 80.2 | 169.7 | 33.8 | -26.4 | 0 | 0 | 0 | 108.1 | T832 | T832-P834 WeakPolarHBondContact O-CD 3.12Š| ||
| 835 | F | 21.7 | Very low | 22.7 | Very low | 168 Ų | 168 | 145.5 Ų | 145.5 | 74% | 0.737 | 74% | 0.739 | S | S | * | * | trans | -110.8 | 112.5 | 164 | -100.3 | -80.2 | 0 | 0 | 0 | 110.9 | D833 | D833-F835 PolarHBondContact O-N 2.83Š| ||
| 836 | N | 22.5 | Very low | 23 | Very low | 117 Ų | 117 | 145.5 Ų | 145.5 | 63% | 0.626 | 73% | 0.733 | S | S | * | * | trans | 70.7 | 84 | 150.7 | -63.8 | -11.7 | 0 | 0 | 0 | 119.1 | V838 | N836-V838 VanDerWaalsContact C-N 3.29Å; N836-V838 PolarHBondContact O-N 3.37Å | ||
| 837 | N | 22.6 | Very low | 23.5 | Very low | 180 Ų | 180 | 147.2 Ų | 147.2 | 96% | 0.963 | 73% | 0.732 | S | S | * | * | -74.8 | 89.3 | 123.4 | -87.8 | -19.7 | 0 | 0 | 0 | 108.2 | |||||
| 838 | V | 24.3 | Very low | 24 | Very low | 93 Ų | 93 | 140 Ų | 140 | 56% | 0.564 | 70% | 0.698 | S | S | * | * | trans | -123.6 | 128.5 | 153.9 | 173.2 | 0 | 0 | 0 | 0 | 106.4 | N836 F840 | N836-V838 VanDerWaalsContact C-N 3.29Å; N836-V838 PolarHBondContact O-N 3.37Å; V838-F840 PolarHBondContact O-N 3.33Å | ||
| 839 | E | 23.9 | Very low | 24.5 | Very low | 183 Ų | 183 | 137.9 Ų | 137.9 | 86% | 0.855 | 69% | 0.687 | S | S | * | * | trans | -36.7 | 118.1 | 171.1 | -69 | 165 | 127.1 | 0 | 0 | 112.6 | ||||
| 840 | F | 22.5 | Very low | 25.1 | Very low | 133 Ų | 133 | 138.9 Ų | 138.9 | 58% | 0.583 | 68% | 0.683 | S | S | * | * | trans | -135.2 | 67.1 | 162.9 | -107.1 | -78.1 | 0 | 0 | 0 | 110.8 | V838 K842 F843 | V838-F840 PolarHBondContact O-N 3.33Å; F840-K842 HydrophobicContact CD1-CB 4.01Å; F840-K842 HydrophobicContact CE1-CB 4.27Å; F840-K842 PolarHBondContact O-N 3.4Å; F840-F843 HydrophobicContact CB-CD2 4.15Å; F840-F843 HydrophobicContact CD1-CB 4.41Å; F840-F843 AromaticContact CD1-CD2 3.06Å; F840-F843 HydrophobicContact CD1-CD2 3.06Å; F840-F843 AromaticContact CD1-CE2 3.46Å; F840-F843 HydrophobicContact CD1-CE2 3.46Å; F840-F843 VanDerWaalsContact CD1-CE2 3.46Å; F840-F843 AromaticContact CD1-CG 3.96Å; F840-F843 HydrophobicContact CD1-CG 3.96Å; F840-F843 HydrophobicContact CD2-CD2 4.37Å; F840-F843 AromaticContact CE1-CD2 3.38Å; F840-F843 HydrophobicContact CE1-CD2 3.38Å; F840-F843 AromaticContact CE1-CE2 3.19Å; F840-F843 HydrophobicContact CE1-CE2 3.19Å; F840-F843 HydrophobicContact CE1-CG 4.41Å; F840-F843 HydrophobicContact CE1-CZ 4.14Å; F840-F843 HydrophobicContact CE2-CE2 4.36Å; F840-F843 AromaticContact CG-CD2 3.62Å; F840-F843 HydrophobicContact CG-CD2 3.62Å; F840-F843 HydrophobicContact CG-CE2 4.15Å; F840-F843 HydrophobicContact CZ-CD2 4.16Å; F840-F843 AromaticContact CZ-CE2 3.7Å; F840-F843 HydrophobicContact CZ-CE2 3.7Å; F840-F843 PolarHBondContact O-N 2.9Å | ||
| 841 | Q | 24 | Very low | 25.7 | Very low | 197 Ų | 197 | 134.9 Ų | 134.9 | 92% | 0.921 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.5 | 13.6 | 155.9 | -87.6 | -176.4 | -14.3 | 0 | 0 | 113.4 | ||
| 842 | K | 25.6 | Very low | 26 | Very low | 182 Ų | 182 | 132.2 Ų | 132.2 | 79% | 0.791 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.6 | 3.9 | 173.3 | -85.9 | -175.4 | 175.7 | 178.7 | 0 | 115.6 | F840 | F840-K842 HydrophobicContact CD1-CB 4.01Å; F840-K842 HydrophobicContact CE1-CB 4.27Å; F840-K842 PolarHBondContact O-N 3.4Å |
| 843 | F | 22 | Very low | 26.3 | Very low | 101 Ų | 101 | 129.2 Ų | 129.2 | 44% | 0.443 | 63% | 0.634 | S | S | . | * | trans | -110.9 | 31 | -178.3 | -85.8 | -53.4 | 0 | 0 | 0 | 116.6 | F840 K845 H846 | F840-F843 HydrophobicContact CB-CD2 4.15Å; F840-F843 HydrophobicContact CD1-CB 4.41Å; F840-F843 AromaticContact CD1-CD2 3.06Å; F840-F843 HydrophobicContact CD1-CD2 3.06Å; F840-F843 AromaticContact CD1-CE2 3.46Å; F840-F843 HydrophobicContact CD1-CE2 3.46Å; F840-F843 VanDerWaalsContact CD1-CE2 3.46Å; F840-F843 AromaticContact CD1-CG 3.96Å; F840-F843 HydrophobicContact CD1-CG 3.96Å; F840-F843 HydrophobicContact CD2-CD2 4.37Å; F840-F843 AromaticContact CE1-CD2 3.38Å; F840-F843 HydrophobicContact CE1-CD2 3.38Å; F840-F843 AromaticContact CE1-CE2 3.19Å; F840-F843 HydrophobicContact CE1-CE2 3.19Å; F840-F843 HydrophobicContact CE1-CG 4.41Å; F840-F843 HydrophobicContact CE1-CZ 4.14Å; F840-F843 HydrophobicContact CE2-CE2 4.36Å; F840-F843 AromaticContact CG-CD2 3.62Å; F840-F843 HydrophobicContact CG-CD2 3.62Å; F840-F843 HydrophobicContact CG-CE2 4.15Å; F840-F843 HydrophobicContact CZ-CD2 4.16Å; F840-F843 AromaticContact CZ-CE2 3.7Å; F840-F843 HydrophobicContact CZ-CE2 3.7Å; F840-F843 PolarHBondContact O-N 2.9Å; F843-K845 PolarHBondContact O-N 3.19Å; F843-H846 HydrophobicContact CD1-CB 3.69Å; F843-H846 AromaticContact CD1-CD2 3.15Å; F843-H846 WeakPolarHBondContact CD1-CD2 3.4Å; F843-H846 AromaticContact CD1-CG 3.58Å; F843-H846 HydrophobicContact CE1-CB 4.25Å; F843-H846 AromaticContact CE1-CD2 3.13Å; F843-H846 WeakPolarHBondContact CE1-CD2 3.44Å; F843-H846 AromaticContact CE1-CG 3.69Å; F843-H846 AromaticContact CE1-NE2 3.56Å; F843-H846 HydrophobicContact CG-CB 4.4Å; F843-H846 PolarHBondContact O-N 3.3Å | ||
| 844 | T | 28.2 | Very low | 26.7 | Very low | 135 Ų | 135 | 125.6 Ų | 125.6 | 83% | 0.828 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.5 | -5 | 164.1 | 2.9 | 0 | 0 | 0 | 0 | 113.9 | ||
| 845 | K | 28.8 | Very low | 26.8 | Very low | 189 Ų | 189 | 126.4 Ų | 126.4 | 82% | 0.822 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.1 | -2.8 | 175.3 | -85 | -171.6 | 173.4 | -174 | 0 | 116.6 | F843 | F843-K845 PolarHBondContact O-N 3.19Š|
| 846 | H | 27.5 | Very low | 27.2 | Very low | 100 Ų | 100 | 121.9 Ų | 121.9 | 46% | 0.463 | 60% | 0.6 | S | S | . | * | trans | -115.4 | 28.4 | -172.1 | -82.5 | -92.7 | 0 | 0 | 0 | 116.3 | F843 H848 | F843-H846 HydrophobicContact CD1-CB 3.69Å; F843-H846 AromaticContact CD1-CD2 3.15Å; F843-H846 WeakPolarHBondContact CD1-CD2 3.4Å; F843-H846 AromaticContact CD1-CG 3.58Å; F843-H846 HydrophobicContact CE1-CB 4.25Å; F843-H846 AromaticContact CE1-CD2 3.13Å; F843-H846 WeakPolarHBondContact CE1-CD2 3.44Å; F843-H846 AromaticContact CE1-CG 3.69Å; F843-H846 AromaticContact CE1-NE2 3.56Å; F843-H846 HydrophobicContact CG-CB 4.4Å; F843-H846 PolarHBondContact O-N 3.3Å; H846-H848 PolarHBondContact O-N 3.33Å | ||
| 847 | Y | 29.2 | Very low | 27.3 | Very low | 175 Ų | 175 | 121.3 Ų | 121.3 | 69% | 0.686 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.1 | 0.2 | 165 | -91.4 | -82.3 | 0 | 0 | 0 | 113.9 | ||
| 848 | H | 30 | Very low | 27.3 | Very low | 33 Ų | 33 | 117.8 Ų | 117.8 | 15% | 0.153 | 60% | 0.595 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -80.2 | -30.5 | -179 | -86.1 | 19 | 0 | 0 | 0 | 115.2 | D629 R667 R670 H846 | D629-H848 IonicContact OD1-CD2 2.75Å; D629-H848 PolarHBondContact OD1-CD2 2.87Å; D629-H848 IonicContact OD1-NE2 3.1Å; D629-H848 PolarHBondContact OD1-NE2 3.27Å; D629-H848 IonicContact OD2-CD2 3.48Å; D629-H848 PolarHBondContact OD2-CD2 2.76Å; D629-H848 IonicContact OD2-NE2 3.62Å; R667-H848 PolarHBondContact NH1-NE2 3.46Å; R667-H848 PolarHBondContact NH2-NE2 3.19Å; R670-H848 PolarHBondContact NH1-CE1 3.41Å; R670-H848 PolarHBondContact NH1-NE2 3.44Å; R670-H848 VanDerWaalsContact NH1-NE2 3.19Å; H846-H848 PolarHBondContact O-N 3.33Å |
| 849 | N | 30 | Very low | 27.2 | Very low | 90 Ų | 90 | 118.8 Ų | 118.8 | 48% | 0.481 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -85.8 | -19.9 | -164.8 | -66.6 | 9.4 | 0 | 0 | 0 | 114.8 | ||
| 850 | W | 34.5 | Very low | 27 | Very low | 198 Ų | 198 | 114.7 Ų | 114.7 | 75% | 0.75 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -72.6 | -29.1 | -179 | 138.5 | -70.8 | 0 | 0 | 0 | 112.9 | ||
| 851 | M | 32.3 | Very low | 27 | Very low | 35 Ų | 35 | 113 Ų | 113 | 17% | 0.172 | 60% | 0.603 | C | S | . | * | H | α-helix | trans | -89.3 | -21.3 | 178.7 | -103.9 | -178.6 | -63.3 | 0 | 0 | 113 | L663 | L663-M851 HydrophobicContact CB-SD 3.66Å; L663-M851 HydrophobicContact CD1-CB 3.97Å; L663-M851 HydrophobicContact CD1-CE 3.9Å; L663-M851 HydrophobicContact CD1-CG 4.39Å; L663-M851 HydrophobicContact CD1-SD 3.68Å; L663-M851 HydrophobicContact CD2-CB 4.29Å; L663-M851 HydrophobicContact CG-SD 4.2Å |
| 852 | E | 29.2 | Very low | 27 | Very low | 76 Ų | 76 | 110.9 Ų | 110.9 | 36% | 0.355 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -81.1 | -24.6 | -179.7 | -74.3 | -179.5 | 175 | 0 | 0 | 113.3 | R667 T854 | R667-E852 IonicContact NH2-OE1 2.56Å; E852-T854 PolarHBondContact O-N 3.03Å |
| 853 | A | 27.7 | Very low | 26.7 | Very low | 77 Ų | 77 | 111.6 Ų | 111.6 | 64% | 0.636 | 60% | 0.604 | S | S | * | * | trans | -68.1 | 14.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | D855 | A853-D855 PolarHBondContact O-N 3.16Å; A853-D855 VanDerWaalsContact O-N 3.12Å | ||
| 854 | T | 29.7 | Very low | 26.8 | Very low | 52 Ų | 52 | 111.8 Ų | 111.8 | 32% | 0.319 | 62% | 0.617 | S | S | . | * | trans | -87.3 | 57 | 168.5 | 55.5 | 0 | 0 | 0 | 0 | 110.6 | R660 E852 | R660-T854 VanDerWaalsContact CZ-OG1 3.31Å; R660-T854 PolarHBondContact NE-OG1 2.78Å; R660-T854 PolarHBondContact NH2-O 2.89Å; R660-T854 PolarHBondContact NH2-OG1 3.08Å; E852-T854 PolarHBondContact O-N 3.03Å | ||
| 855 | D | 27.5 | Very low | 26.4 | Very low | 141 Ų | 141 | 113.2 Ų | 113.2 | 75% | 0.754 | 62% | 0.619 | S | S | * | * | trans | -66 | 144.8 | 174.8 | -83.6 | -30.1 | 0 | 0 | 0 | 111.4 | A853 S857 | A853-D855 PolarHBondContact O-N 3.16Å; A853-D855 VanDerWaalsContact O-N 3.12Å; D855-S857 PolarHBondContact O-N 2.68Å | ||
| 856 | V | 30.4 | Very low | 26.2 | Very low | 72 Ų | 72 | 110.5 Ų | 110.5 | 44% | 0.436 | 62% | 0.618 | S | S | . | * | trans | -71.8 | 108.4 | -177.6 | 178.1 | 0 | 0 | 0 | 0 | 108 | V621 S858 | V621-V856 HydrophobicContact CG2-CG1 4.49Å; V621-V856 HydrophobicContact CG2-CG2 3.94Å; V856-S858 PolarHBondContact O-N 3.16Å; V856-S858 VanDerWaalsContact O-N 3.11Å | ||
| 857 | S | 24 | Very low | 25.9 | Very low | 105 Ų | 105 | 113.2 Ų | 113.2 | 73% | 0.734 | 64% | 0.636 | S | S | * | * | trans | -66.1 | 110.1 | 161.3 | 58.5 | 0 | 0 | 0 | 0 | 107.8 | D855 S859 | D855-S857 PolarHBondContact O-N 2.68Å; S857-S859 VanDerWaalsContact C-N 3.33Å; S857-S859 PolarHBondContact O-N 3.39Å | ||
| 858 | S | 22.2 | Very low | 25.5 | Very low | 106 Ų | 106 | 108.3 Ų | 108.3 | 74% | 0.741 | 64% | 0.638 | S | S | * | * | trans | -62.9 | 88.9 | 168 | 51.7 | 0 | 0 | 0 | 0 | 109.5 | V856 S860 | V856-S858 PolarHBondContact O-N 3.16Å; V856-S858 VanDerWaalsContact O-N 3.11Å; S858-S860 VanDerWaalsContact C-N 3.35Å; S858-S860 PolarHBondContact O-N 3.03Å | ||
| 859 | S | 22.7 | Very low | 25.2 | Very low | 115 Ų | 115 | 115.4 Ų | 115.4 | 80% | 0.804 | 67% | 0.672 | S | S | * | * | trans | -84 | 86.8 | 164.2 | 61.8 | 0 | 0 | 0 | 0 | 108.1 | S857 | S857-S859 VanDerWaalsContact C-N 3.33Å; S857-S859 PolarHBondContact O-N 3.39Å | ||
| 860 | S | 19 | Very low | 24.7 | Very low | 96 Ų | 96 | 120.6 Ų | 120.6 | 67% | 0.671 | 69% | 0.693 | S | S | * | * | trans | -69.4 | 154.1 | 154.6 | 51.5 | 0 | 0 | 0 | 0 | 109.8 | S858 | S858-S860 VanDerWaalsContact C-N 3.35Å; S858-S860 PolarHBondContact O-N 3.03Å | ||
| 861 | S | 21.9 | Very low | 24.2 | Very low | 99 Ų | 99 | 116.9 Ų | 116.9 | 69% | 0.692 | 69% | 0.692 | S | S | * | * | trans | 63.4 | 100.7 | 166 | 62.4 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 862 | D | 24.6 | Very low | 23.7 | Very low | 152 Ų | 152 | 120.7 Ų | 120.7 | 81% | 0.813 | 71% | 0.713 | S | S | * | * | -173.1 | 109.9 | 95.6 | -88.4 | -20.9 | 0 | 0 | 0 | 109.9 | |||||
| 863 | E | 19.5 | Very low | 23.3 | Very low | 197 Ų | 197 | 123.9 Ų | 123.9 | 92% | 0.921 | 74% | 0.738 | S | S | * | * | trans | -86.6 | 115 | 157 | -74.4 | -151.7 | 154.2 | 0 | 0 | 108.1 | ||||
| 864 | S | 23.9 | Very low | 22.9 | Very low | 104 Ų | 104 | 129.1 Ų | 129.1 | 73% | 0.727 | 74% | 0.741 | S | S | * | * | trans | -155.6 | 101.7 | 155 | 61.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 865 | L | 19.7 | Very low | 22.6 | Very low | 165 Ų | 165 | 138 Ų | 138 | 86% | 0.864 | 77% | 0.77 | S | S | * | * | 34 | 122.3 | 129.4 | -128.7 | 85.9 | 0 | 0 | 0 | 118 | |||||
| 866 | V | 25 | Very low | 22.4 | Very low | 133 Ų | 133 | 141.9 Ų | 141.9 | 81% | 0.806 | 78% | 0.775 | S | S | * | * | 167.1 | 134.5 | 116 | 161.5 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 867 | D | 21.9 | Very low | 21.9 | Very low | 156 Ų | 156 | 145.9 Ų | 145.9 | 83% | 0.834 | 79% | 0.794 | S | S | * | * | trans | -56.1 | 148.4 | -176.2 | -69.2 | -61.4 | 0 | 0 | 0 | 116.9 | ||||
| 868 | G | 20.9 | Very low | 21.9 | Very low | 72 Ų | 72 | 146.2 Ų | 146.2 | 74% | 0.742 | 80% | 0.796 | S | S | * | * | 62.3 | 89.5 | 123.3 | 0 | 0 | 0 | 0 | 0 | 119 | |||||
| 869 | Q | 22.1 | Very low | 22 | Very low | 183 Ų | 183 | 147.9 Ų | 147.9 | 86% | 0.855 | 80% | 0.797 | S | S | * | * | trans | -136.4 | 102.2 | 143.8 | -75.7 | -170.3 | -20.3 | 0 | 0 | 110.5 | V871 | Q869-V871 HydrophobicContact CB-CG2 4.46Å; Q869-V871 PolarHBondContact O-N 3.09Å | ||
| 870 | Q | 21.3 | Very low | 21.7 | Very low | 198 Ų | 198 | 147.7 Ų | 147.7 | 93% | 0.925 | 79% | 0.794 | S | S | * | * | trans | -62.8 | 116.3 | 154.4 | -82 | 177.7 | -21.5 | 0 | 0 | 107.9 | ||||
| 871 | V | 23.5 | Very low | 21.7 | Very low | 121 Ų | 121 | 153 Ų | 153 | 73% | 0.733 | 80% | 0.801 | S | S | * | * | trans | -131.4 | 100.6 | 163.6 | -177.4 | 0 | 0 | 0 | 0 | 109.1 | Q869 | Q869-V871 HydrophobicContact CB-CG2 4.46Å; Q869-V871 PolarHBondContact O-N 3.09Å | ||
| 872 | D | 21.3 | Very low | 21.7 | Very low | 114 Ų | 114 | 153.8 Ų | 153.8 | 61% | 0.61 | 80% | 0.804 | S | S | * | * | trans | 31.1 | 105.7 | 148.3 | -88 | -57.1 | 0 | 0 | 0 | 120 | R874 | D872-R874 PolarHBondContact O-N 2.97Å; D872-R874 IonicContact OD1-CZ 3.41Å; D872-R874 IonicContact OD1-NE 3.61Å; D872-R874 PolarHBondContact OD1-NE 3.46Å; D872-R874 IonicContact OD1-NH2 3.26Å; D872-R874 PolarHBondContact OD1-NH2 3.45Å; D872-R874 IonicContact OD2-NH2 3.88Å | ||
| 873 | T | 20.9 | Very low | 21.6 | Very low | 143 Ų | 143 | 156.5 Ų | 156.5 | 88% | 0.877 | 80% | 0.804 | S | S | * | * | trans | -80.1 | 90.7 | 154.6 | 49.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 874 | R | 18.9 | Very low | 21.6 | Very low | 187 Ų | 187 | 155.1 Ų | 155.1 | 71% | 0.706 | 80% | 0.797 | S | S | * | * | trans | -150.4 | 96 | 169.7 | -89.5 | -173.6 | -85.9 | 177.7 | -3.6 | 113.4 | D872 | D872-R874 PolarHBondContact O-N 2.97Å; D872-R874 IonicContact OD1-CZ 3.41Å; D872-R874 IonicContact OD1-NE 3.61Å; D872-R874 PolarHBondContact OD1-NE 3.46Å; D872-R874 IonicContact OD1-NH2 3.26Å; D872-R874 PolarHBondContact OD1-NH2 3.45Å; D872-R874 IonicContact OD2-NH2 3.88Å | ||
| 875 | Y | 24.1 | Very low | 21.4 | Very low | 238 Ų | 238 | 155.9 Ų | 155.9 | 93% | 0.933 | 80% | 0.797 | S | S | * | * | trans | -156.6 | 81.2 | 147.4 | -102 | -81.3 | 0 | 0 | 0 | 106.8 | ||||
| 876 | R | 22.2 | Very low | 21.5 | Very low | 223 Ų | 223 | 155.4 Ų | 155.4 | 84% | 0.842 | 80% | 0.795 | S | S | * | * | 55.2 | 95.6 | 102.2 | -80.7 | -167.7 | 177 | 173.7 | 0.3 | 114.8 | |||||
| 877 | N | 21.3 | Very low | 21.3 | Very low | 157 Ų | 157 | 156.5 Ų | 156.5 | 84% | 0.84 | 80% | 0.797 | S | S | * | * | trans | -54.1 | 139.4 | 144.7 | -72.4 | -19.8 | 0 | 0 | 0 | 109.6 | ||||
| 878 | S | 24 | Very low | 21.4 | Very low | 112 Ų | 112 | 154.1 Ų | 154.1 | 78% | 0.783 | 79% | 0.792 | S | S | * | * | trans | -137.5 | 119.2 | 166.5 | -61.3 | 0 | 0 | 0 | 0 | 108 | ||||
| 879 | D | 22.6 | Very low | 21.3 | Very low | 140 Ų | 140 | 158.2 Ų | 158.2 | 75% | 0.749 | 80% | 0.797 | S | S | * | * | trans | -76.3 | 154.6 | -170.6 | -61.3 | -64.9 | 0 | 0 | 0 | 113.9 | ||||
| 880 | C | 17.7 | Very low | 21.3 | Very low | 111 Ų | 111 | 156.9 Ų | 156.9 | 75% | 0.75 | 80% | 0.796 | S | S | * | * | trans | 9.5 | 126.8 | 145.2 | -60.9 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 881 | Y | 19.3 | Very low | 21.3 | Very low | 209 Ų | 209 | 157 Ų | 157 | 82% | 0.82 | 80% | 0.796 | S | S | * | * | trans | -138.8 | 121.2 | 144.5 | -85.5 | -79.4 | 0 | 0 | 0 | 111 | ||||
| 882 | P | 21.5 | Very low | 21.1 | Very low | 115 Ų | 115 | 155.3 Ų | 155.3 | 75% | 0.747 | 79% | 0.79 | S | S | * | * | trans | -96.5 | 125.7 | 169.9 | 33.3 | -24.4 | 0 | 0 | 0 | 110.3 | ||||
| 883 | Y | 21.5 | Very low | 21.1 | Very low | 209 Ų | 209 | 155.3 Ų | 155.3 | 82% | 0.82 | 80% | 0.799 | S | S | * | * | trans | -119 | 111.2 | 174.9 | -102 | -85.9 | 0 | 0 | 0 | 112.4 | ||||
| 884 | H | 21.1 | Very low | 21.1 | Very low | 168 Ų | 168 | 159.2 Ų | 159.2 | 78% | 0.778 | 80% | 0.799 | S | S | * | * | trans | 16.5 | 122.4 | 145.2 | -91.3 | -91.2 | 0 | 0 | 0 | 121.3 | ||||
| 885 | V | 19.2 | Very low | 21.1 | Very low | 119 Ų | 119 | 161.9 Ų | 161.9 | 72% | 0.721 | 81% | 0.809 | S | S | * | * | trans | -59.5 | 127.4 | 154 | 177.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 886 | N | 22 | Very low | 21 | Very low | 155 Ų | 155 | 156 Ų | 156 | 83% | 0.829 | 80% | 0.798 | S | S | * | * | trans | -128.5 | 112 | 160.1 | -98.9 | -8.5 | 0 | 0 | 0 | 108.4 | ||||
| 887 | D | 19.9 | Very low | 21 | Very low | 156 Ų | 156 | 151 Ų | 151 | 83% | 0.834 | 79% | 0.793 | S | S | * | * | trans | -70.8 | 125.8 | 163.6 | -77.8 | -43.2 | 0 | 0 | 0 | 109.4 | ||||
| 888 | S | 23.5 | Very low | 21 | Very low | 107 Ų | 107 | 152.1 Ų | 152.1 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | trans | -154 | 114.7 | 152.3 | 59.5 | 0 | 0 | 0 | 0 | 110.1 | D890 | S888-D890 PolarHBondContact O-N 3.45Š| ||
| 889 | N | 19.9 | Very low | 20.9 | Very low | 158 Ų | 158 | 155.5 Ų | 155.5 | 85% | 0.845 | 79% | 0.793 | S | S | * | * | trans | -53.8 | 127.7 | 166.7 | -64.5 | -49.9 | 0 | 0 | 0 | 110.5 | ||||
| 890 | D | 22.6 | Very low | 21 | Very low | 155 Ų | 155 | 157.7 Ų | 157.7 | 83% | 0.829 | 80% | 0.796 | S | S | * | * | trans | -141.9 | 96.3 | 151.3 | -95.6 | -31.6 | 0 | 0 | 0 | 109.4 | S888 S892 | S888-D890 PolarHBondContact O-N 3.45Å; D890-S892 PolarHBondContact O-N 3.06Å | ||
| 891 | E | 19.9 | Very low | 21.3 | Very low | 199 Ų | 199 | 159.3 Ų | 159.3 | 93% | 0.93 | 80% | 0.795 | S | S | * | * | trans | -68.9 | 106.8 | 159.7 | -77.1 | -157.9 | 152.9 | 0 | 0 | 108.9 | ||||
| 892 | S | 20.9 | Very low | 21.6 | Very low | 87 Ų | 87 | 156.9 Ų | 156.9 | 61% | 0.608 | 80% | 0.795 | S | S | * | * | trans | -160.9 | 124 | 149.1 | 52.1 | 0 | 0 | 0 | 0 | 113.1 | D890 | D890-S892 PolarHBondContact O-N 3.06Š| ||
| 893 | S | 20.7 | Very low | 21.9 | Very low | 113 Ų | 113 | 155 Ų | 155 | 79% | 0.79 | 78% | 0.784 | S | S | * | * | trans | 58.7 | 73.4 | 145 | 57.7 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 894 | Y | 20.6 | Very low | 22.5 | Very low | 225 Ų | 225 | 150.7 Ų | 150.7 | 88% | 0.882 | 79% | 0.785 | S | S | * | * | trans | -99.8 | 103.1 | 154.5 | -82.5 | -82.6 | 0 | 0 | 0 | 111.5 | V896 | Y894-V896 PolarHBondContact O-N 3.4Š| ||
| 895 | R | 19.4 | Very low | 23.2 | Very low | 244 Ų | 244 | 146.3 Ų | 146.3 | 92% | 0.921 | 77% | 0.765 | S | S | * | * | trans | -63.9 | 95 | 161.3 | -92.3 | 178.1 | 166 | 158.9 | -3.4 | 108.4 | T897 | R895-T897 PolarHBondContact O-N 3.03Š| ||
| 896 | V | 22.3 | Very low | 24.4 | Very low | 113 Ų | 113 | 143.2 Ų | 143.2 | 69% | 0.685 | 75% | 0.749 | S | S | * | * | trans | -70.4 | 102.6 | 170.6 | 179 | 0 | 0 | 0 | 0 | 108.4 | Y894 H898 | Y894-V896 PolarHBondContact O-N 3.4Å; V896-H898 PolarHBondContact O-N 3.31Å | ||
| 897 | T | 21.2 | Very low | 25.6 | Very low | 120 Ų | 120 | 140.8 Ų | 140.8 | 74% | 0.736 | 73% | 0.733 | S | S | * | * | trans | -68.7 | 109.1 | 167.2 | 42.3 | 0 | 0 | 0 | 0 | 107.8 | R895 K899 | R895-T897 PolarHBondContact O-N 3.03Å; T897-K899 VanDerWaalsContact C-N 3.25Å; T897-K899 PolarHBondContact O-N 3.29Å | ||
| 898 | H | 22 | Very low | 27.1 | Very low | 179 Ų | 179 | 135.8 Ų | 135.8 | 83% | 0.829 | 71% | 0.706 | S | S | * | * | trans | -63 | 83.5 | 173.1 | -78.1 | -84.5 | 0 | 0 | 0 | 110.4 | V896 K900 | V896-H898 PolarHBondContact O-N 3.31Å; H898-K900 VanDerWaalsContact C-N 3.29Å; H898-K900 PolarHBondContact O-N 3.3Å | ||
| 899 | K | 21.5 | Very low | 28.3 | Very low | 183 Ų | 183 | 132.4 Ų | 132.4 | 80% | 0.796 | 68% | 0.681 | S | S | * | * | trans | -69.8 | 94.6 | 160 | -94.2 | -176.8 | 176.3 | 176.7 | 0 | 107.3 | T897 I901 | T897-K899 VanDerWaalsContact C-N 3.25Å; T897-K899 PolarHBondContact O-N 3.29Å; K899-I901 PolarHBondContact O-N 2.76Å | ||
| 900 | K | 23.5 | Very low | 30 | Very low | 187 Ų | 187 | 129.8 Ų | 129.8 | 81% | 0.813 | 66% | 0.664 | S | S | * | * | trans | -65.9 | 81.2 | 176 | -161 | 174.8 | -170.7 | 172.9 | 0 | 108.9 | H898 I902 | H898-K900 VanDerWaalsContact C-N 3.29Å; H898-K900 PolarHBondContact O-N 3.3Å; K900-I902 PolarHBondContact O-N 2.79Å | ||
| 901 | I | 23.9 | Very low | 31.6 | Very low | 144 Ų | 144 | 128.4 Ų | 128.4 | 74% | 0.738 | 65% | 0.647 | S | S | * | * | trans | -70.2 | 111.9 | 172.6 | -65.9 | 170.4 | 0 | 0 | 0 | 106.6 | K899 S903 | K899-I901 PolarHBondContact O-N 2.76Å; I901-S903 PolarHBondContact O-N 3.2Å | ||
| 902 | I | 26.2 | Very low | 33.6 | Very low | 158 Ų | 158 | 119 Ų | 119 | 81% | 0.81 | 60% | 0.603 | S | S | * | * | trans | -73.3 | 74.7 | 173.5 | -56.1 | 162 | 0 | 0 | 0 | 105.7 | K900 | K900-I902 PolarHBondContact O-N 2.79Š| ||
| 903 | S | 28.8 | Very low | 35.5 | Very low | 76 Ų | 76 | 117.6 Ų | 117.6 | 53% | 0.531 | 59% | 0.587 | S | S | . | * | trans | -62.8 | 139.1 | 153.8 | 65.9 | 0 | 0 | 0 | 0 | 105.5 | I901 Q905 | I901-S903 PolarHBondContact O-N 3.2Å; S903-Q905 PolarHBondContact O-N 3.28Å | ||
| 904 | S | 32.3 | Very low | 37.5 | Very low | 118 Ų | 118 | 118.8 Ų | 118.8 | 83% | 0.825 | 58% | 0.575 | S | S | * | * | trans | -69.4 | 59.8 | 178.7 | 53.9 | 0 | 0 | 0 | 0 | 110.4 | S906 | S904-S906 PolarHBondContact O-N 3.32Š| ||
| 905 | Q | 36.9 | Very low | 39.3 | Very low | 76 Ų | 76 | 108.6 Ų | 108.6 | 36% | 0.355 | 54% | 0.536 | S | S | . | . | trans | -51.6 | 104.1 | 145.4 | -72.7 | -176.1 | -24.3 | 0 | 0 | 104.4 | S903 M907 C909 | S903-Q905 PolarHBondContact O-N 3.28Å; Q905-M907 PolarHBondContact O-N 3.06Å; Q905-C909 HydrophobicContact CB-CB 4.2Å | ||
| 906 | S | 43.8 | Very low | 41.3 | Very low | 55 Ų | 55 | 97.3 Ų | 97.3 | 39% | 0.385 | 49% | 0.494 | S | S | . | . | trans | -39.4 | 134.8 | 166.2 | 171.3 | 0 | 0 | 0 | 0 | 106.8 | S904 M908 C909 | S904-S906 PolarHBondContact O-N 3.32Å; S906-M908 CarbonylContact O-C 3.55Å; S906-M908 PolarHBondContact O-N 3.28Å; S906-M908 VanDerWaalsContact OG-CB 3.32Å; S906-M908 WeakPolarHBondContact OG-CB 3.32Å; S906-M908 VanDerWaalsContact OG-CG 3.27Å; S906-M908 WeakPolarHBondContact OG-CG 3.4Å; S906-M908 PolarHBondContact OG-N 2.97Å; S906-C909 PolarHBondContact O-N 2.77Å | ||
| 907 | M | 48.1 | Very low | 42.8 | Very low | 103 Ų | 103 | 96 Ų | 96 | 51% | 0.507 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -46.9 | -21 | 173.4 | -87 | -163.1 | 178.6 | 0 | 0 | 112 | Q905 R911 R1332 | Q905-M907 PolarHBondContact O-N 3.06Å; M907-R911 VanDerWaalsContact O-CB 3.3Å; M907-R911 WeakPolarHBondContact O-CB 3.31Å; M907-R911 PolarHBondContact O-N 2.88Å; M907-R1332 PolarHBondContact SD-NH1 2.78Å |
| 908 | M | 51.1 | Low | 44.2 | Very low | 52 Ų | 52 | 94.8 Ų | 94.8 | 26% | 0.256 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -60.1 | -45.9 | 169.1 | -59.2 | -165.2 | -152 | 0 | 0 | 114.7 | S906 R911 L912 N1255 T1404 | S906-M908 CarbonylContact O-C 3.55Å; S906-M908 PolarHBondContact O-N 3.28Å; S906-M908 VanDerWaalsContact OG-CB 3.32Å; S906-M908 WeakPolarHBondContact OG-CB 3.32Å; S906-M908 VanDerWaalsContact OG-CG 3.27Å; S906-M908 WeakPolarHBondContact OG-CG 3.4Å; S906-M908 PolarHBondContact OG-N 2.97Å; M908-R911 PolarHBondContact O-N 3.02Å; M908-L912 WeakPolarHBondContact O-CG 3.4Å; M908-L912 PolarHBondContact O-N 3Å; M908-N1255 PolarHBondContact SD-ND2 3.33Å; M908-T1404 VanDerWaalsContact CE-OG1 3.28Å; M908-T1404 WeakPolarHBondContact CE-OG1 3.48Å; M908-T1404 PolarHBondContact SD-OG1 2.76Å |
| 909 | C | 48.7 | Very low | 45.5 | Very low | 35 Ų | 35 | 87.6 Ų | 87.6 | 24% | 0.236 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -64 | -46.5 | 178.3 | -66.2 | 0 | 0 | 0 | 0 | 111 | Q905 S906 R911 L912 E913 | Q905-C909 HydrophobicContact CB-CB 4.2Å; S906-C909 PolarHBondContact O-N 2.77Å; C909-R911 VanDerWaalsContact C-N 3.26Å; C909-R911 PolarHBondContact O-N 3.41Å; C909-L912 PolarHBondContact O-N 3.38Å; C909-E913 WeakPolarHBondContact O-CB 3.3Å; C909-E913 WeakPolarHBondContact O-CG 3.5Å; C909-E913 PolarHBondContact O-N 3.04Å |
| 910 | Q | 55.4 | Low | 46.6 | Very low | 103 Ų | 103 | 81.3 Ų | 81.3 | 48% | 0.481 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -60.5 | -36 | 174 | -83.8 | 179.5 | -1.4 | 0 | 0 | 112.4 | Y914 | Q910-Y914 VanDerWaalsContact O-CB 3.28Å; Q910-Y914 WeakPolarHBondContact O-CB 3.49Å; Q910-Y914 PolarHBondContact O-N 3.34Å |
| 911 | R | 56.8 | Low | 47.4 | Very low | 126 Ų | 126 | 78.6 Ų | 78.6 | 48% | 0.475 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -71.3 | -39.2 | 177.2 | -170.6 | 164.8 | 175.1 | 88.9 | -1.8 | 112.1 | M907 M908 C909 Y914 I915 | M907-R911 VanDerWaalsContact O-CB 3.3Å; M907-R911 WeakPolarHBondContact O-CB 3.31Å; M907-R911 PolarHBondContact O-N 2.88Å; M908-R911 PolarHBondContact O-N 3.02Å; C909-R911 VanDerWaalsContact C-N 3.26Å; C909-R911 PolarHBondContact O-N 3.41Å; R911-Y914 PolarHBondContact O-N 3.1Å; R911-I915 HydrophobicContact CG-CD1 4.3Å; R911-I915 WeakPolarHBondContact O-CD1 3.47Å; R911-I915 WeakPolarHBondContact O-CG1 3.5Å; R911-I915 PolarHBondContact O-N 2.97Å |
| 912 | L | 61.2 | Low | 48.2 | Very low | 2 Ų | 2 | 75.7 Ų | 75.7 | 1% | 0.01 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -64.8 | -44.8 | 172 | -74.3 | 171.1 | 0 | 0 | 0 | 111.3 | F800 M908 C909 Y914 I915 L916 N1255 H1406 V1408 | F800-L912 HydrophobicContact CD1-CB 4.41Å; F800-L912 HydrophobicContact CD1-CD1 3.86Å; F800-L912 HydrophobicContact CE1-CB 4.11Å; F800-L912 HydrophobicContact CE1-CD1 3.88Å; F800-L912 HydrophobicContact CE1-CG 4.46Å; M908-L912 WeakPolarHBondContact O-CG 3.4Å; M908-L912 PolarHBondContact O-N 3Å; C909-L912 PolarHBondContact O-N 3.38Å; L912-Y914 VanDerWaalsContact C-N 3.31Å; L912-Y914 PolarHBondContact O-N 3.02Å; L912-I915 PolarHBondContact O-N 3.17Å; L912-L916 WeakPolarHBondContact O-CD1 3.46Å; L912-L916 VanDerWaalsContact O-CG 3.28Å; L912-L916 WeakPolarHBondContact O-CG 3.39Å; L912-L916 PolarHBondContact O-N 3.2Å; L912-N1255 HydrophobicContact CD2-CB 4.45Å; L912-H1406 HydrophobicContact CD1-CB 3.81Å; L912-H1406 HydrophobicContact CD2-CB 4.37Å; L912-V1408 HydrophobicContact CD2-CG2 3.87Å |
| 913 | E | 60.1 | Low | 48.9 | Very low | 57 Ų | 57 | 73.3 Ų | 73.3 | 27% | 0.266 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -58 | -43.8 | 172.9 | -78.9 | -178.2 | 168.6 | 0 | 0 | 111.2 | C909 L916 L917 R934 | C909-E913 WeakPolarHBondContact O-CB 3.3Å; C909-E913 WeakPolarHBondContact O-CG 3.5Å; C909-E913 PolarHBondContact O-N 3.04Å; E913-L916 PolarHBondContact O-N 3.29Å; E913-L917 VanDerWaalsContact O-CB 3.29Å; E913-L917 WeakPolarHBondContact O-CB 3.47Å; E913-L917 WeakPolarHBondContact O-CD1 3.29Å; E913-L917 VanDerWaalsContact O-CG 3.28Å; E913-L917 WeakPolarHBondContact O-CG 3.49Å; E913-L917 PolarHBondContact O-N 3.22Å; E913-R934 IonicContact OE1-NH2 2.85Å |
| 914 | Y | 63 | Low | 49.1 | Very low | 139 Ų | 139 | 76.4 Ų | 76.4 | 55% | 0.545 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -61.2 | -43.9 | 175.2 | 179.9 | -92.5 | 0 | 0 | 0 | 112.5 | Q910 R911 L912 L916 L917 Q918 | Q910-Y914 VanDerWaalsContact O-CB 3.28Å; Q910-Y914 WeakPolarHBondContact O-CB 3.49Å; Q910-Y914 PolarHBondContact O-N 3.34Å; R911-Y914 PolarHBondContact O-N 3.1Å; L912-Y914 VanDerWaalsContact C-N 3.31Å; L912-Y914 PolarHBondContact O-N 3.02Å; Y914-L916 VanDerWaalsContact C-N 3.27Å; Y914-L916 PolarHBondContact O-N 3.44Å; Y914-L917 PolarHBondContact O-N 2.97Å; Y914-Q918 HydrophobicContact CD1-CG 4.42Å; Y914-Q918 HydrophobicContact CE1-CG 4.02Å; Y914-Q918 WeakPolarHBondContact O-CG 3.3Å; Y914-Q918 PolarHBondContact O-N 2.78Å; Y914-Q918 VanDerWaalsContact O-N 3.13Å; Y914-Q918 PolarHBondContact OH-NE2 3.36Å; Y914-Q918 VanDerWaalsContact OH-NE2 3.17Å |
| 915 | I | 59.9 | Low | 49.3 | Very low | 11 Ų | 11 | 81.4 Ų | 81.4 | 6% | 0.056 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -60.8 | -37.3 | 176.6 | -71.5 | 163.8 | 0 | 0 | 0 | 111.1 | R911 L912 A1253 P1285 W1286 | R911-I915 HydrophobicContact CG-CD1 4.3Å; R911-I915 WeakPolarHBondContact O-CD1 3.47Å; R911-I915 WeakPolarHBondContact O-CG1 3.5Å; R911-I915 PolarHBondContact O-N 2.97Å; L912-I915 PolarHBondContact O-N 3.17Å; I915-A1253 HydrophobicContact CG2-CB 3.93Å; I915-P1285 HydrophobicContact CG1-CB 4.19Å; I915-P1285 HydrophobicContact CG2-CB 4.19Å; I915-W1286 HydrophobicContact CG2-CZ2 3.84Å; I915-W1286 PolarHBondContact O-NE1 2.76Å |
| 916 | L | 60 | Low | 49.4 | Very low | 6 Ų | 6 | 81.6 Ų | 81.6 | 3% | 0.031 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -77.2 | -43.1 | 178.5 | -66.4 | 158.5 | 0 | 0 | 0 | 112 | F800 L912 E913 Y914 Q918 T919 T920 F932 W1286 Y1431 | F800-L916 HydrophobicContact CE1-CD1 4.27Å; F800-L916 HydrophobicContact CE2-CD1 3.51Å; F800-L916 HydrophobicContact CZ-CD1 3.27Å; L912-L916 WeakPolarHBondContact O-CD1 3.46Å; L912-L916 VanDerWaalsContact O-CG 3.28Å; L912-L916 WeakPolarHBondContact O-CG 3.39Å; L912-L916 PolarHBondContact O-N 3.2Å; E913-L916 PolarHBondContact O-N 3.29Å; Y914-L916 VanDerWaalsContact C-N 3.27Å; Y914-L916 PolarHBondContact O-N 3.44Å; L916-Q918 VanDerWaalsContact C-N 3.27Å; L916-Q918 PolarHBondContact O-N 3.08Å; L916-T919 PolarHBondContact O-N 3.25Å; L916-T919 PolarHBondContact O-OG1 3.05Å; L916-T920 PolarHBondContact O-N 3.16Å; L916-F932 HydrophobicContact CB-CE2 4.08Å; L916-F932 HydrophobicContact CB-CZ 3.86Å; L916-F932 HydrophobicContact CD1-CZ 4.36Å; L916-F932 HydrophobicContact CD2-CZ 4.13Å; L916-F932 HydrophobicContact CG-CZ 4.33Å; L916-W1286 HydrophobicContact CD2-CH2 4.25Å; L916-W1286 HydrophobicContact CD2-CZ2 3.93Å; L916-Y1431 HydrophobicContact CD2-CD1 3.43Å; L916-Y1431 VanDerWaalsContact CD2-CD1 3.43Å; L916-Y1431 HydrophobicContact CD2-CD2 4.13Å; L916-Y1431 HydrophobicContact CD2-CE1 3.25Å; L916-Y1431 HydrophobicContact CD2-CE2 4.01Å; L916-Y1431 HydrophobicContact CD2-CG 3.86Å |
| 917 | L | 54 | Low | 48.9 | Very low | 85 Ų | 85 | 88.2 Ų | 88.2 | 45% | 0.445 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -58.7 | -37.7 | 178.4 | -82.6 | 160.2 | 0 | 0 | 0 | 112.2 | E913 Y914 T919 T920 L921 | E913-L917 VanDerWaalsContact O-CB 3.29Å; E913-L917 WeakPolarHBondContact O-CB 3.47Å; E913-L917 WeakPolarHBondContact O-CD1 3.29Å; E913-L917 VanDerWaalsContact O-CG 3.28Å; E913-L917 WeakPolarHBondContact O-CG 3.49Å; E913-L917 PolarHBondContact O-N 3.22Å; Y914-L917 PolarHBondContact O-N 2.97Å; L917-T919 PolarHBondContact O-N 2.81Å; L917-T920 PolarHBondContact O-N 3.13Å; L917-T920 PolarHBondContact O-OG1 3.14Å; L917-L921 PolarHBondContact O-N 2.91Å |
| 918 | Q | 51.4 | Low | 48.1 | Very low | 96 Ų | 96 | 87.5 Ų | 87.5 | 45% | 0.449 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -58 | -34 | 174.8 | -76.2 | -77.2 | -29 | 0 | 0 | 112.5 | Y914 L916 | Y914-Q918 HydrophobicContact CD1-CG 4.42Å; Y914-Q918 HydrophobicContact CE1-CG 4.02Å; Y914-Q918 WeakPolarHBondContact O-CG 3.3Å; Y914-Q918 PolarHBondContact O-N 2.78Å; Y914-Q918 VanDerWaalsContact O-N 3.13Å; Y914-Q918 PolarHBondContact OH-NE2 3.36Å; Y914-Q918 VanDerWaalsContact OH-NE2 3.17Å; L916-Q918 VanDerWaalsContact C-N 3.27Å; L916-Q918 PolarHBondContact O-N 3.08Å |
| 919 | T | 49.5 | Very low | 47.2 | Very low | 28 Ų | 28 | 91 Ų | 91 | 17% | 0.172 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -75.2 | -35.6 | 177.5 | 58.9 | 0 | 0 | 0 | 0 | 113.6 | L916 L917 L921 A922 W1286 Y1431 | L916-T919 PolarHBondContact O-N 3.25Å; L916-T919 PolarHBondContact O-OG1 3.05Å; L917-T919 PolarHBondContact O-N 2.81Å; T919-L921 VanDerWaalsContact C-N 3.31Å; T919-L921 PolarHBondContact O-N 3.4Å; T919-A922 PolarHBondContact O-N 3.03Å; T919-W1286 VanDerWaalsContact CG2-NE1 3.29Å; T919-Y1431 PolarHBondContact OG1-OH 2.84Å; T919-Y1431 VanDerWaalsContact OG1-OH 3.09Å |
| 920 | T | 43.5 | Very low | 46.4 | Very low | 51 Ų | 51 | 99.1 Ų | 99.1 | 31% | 0.313 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -72.5 | -23.4 | 180 | 52.8 | 0 | 0 | 0 | 0 | 113.7 | L916 L917 F932 | L916-T920 PolarHBondContact O-N 3.16Å; L917-T920 PolarHBondContact O-N 3.13Å; L917-T920 PolarHBondContact O-OG1 3.14Å; T920-F932 HydrophobicContact CG2-CD2 4.16Å; T920-F932 HydrophobicContact CG2-CE2 3.84Å |
| 921 | L | 40.6 | Very low | 45.5 | Very low | 129 Ų | 129 | 102.4 Ų | 102.4 | 68% | 0.675 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | -14.9 | -179.9 | -81.8 | 158.1 | 0 | 0 | 0 | 113.6 | L917 T919 T923 | L917-L921 PolarHBondContact O-N 2.91Å; T919-L921 VanDerWaalsContact C-N 3.31Å; T919-L921 PolarHBondContact O-N 3.4Å; L921-T923 VanDerWaalsContact C-N 3.33Å |
| 922 | A | 42 | Very low | 44.4 | Very low | 84 Ų | 84 | 100.4 Ų | 100.4 | 69% | 0.694 | 51% | 0.505 | S | S | * | . | S | Bend | trans | -76.8 | -20.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | T919 | T919-A922 PolarHBondContact O-N 3.03Š|
| 923 | T | 39 | Very low | 43.3 | Very low | 108 Ų | 108 | 108.1 Ų | 108.1 | 66% | 0.663 | 54% | 0.539 | S | S | * | . | S | Bend | trans | -121.6 | 109.3 | -179.5 | 57.6 | 0 | 0 | 0 | 0 | 109.8 | L921 | L921-T923 VanDerWaalsContact C-N 3.33Š|
| 924 | D | 33.1 | Very low | 42.3 | Very low | 140 Ų | 140 | 112.8 Ų | 112.8 | 75% | 0.749 | 55% | 0.554 | S | S | * | * | trans | 76 | 104.1 | 178.4 | -78.1 | -28.3 | 0 | 0 | 0 | 119 | S926 | D924-S926 PolarHBondContact O-N 3.18Å; D924-S926 VanDerWaalsContact O-N 3.09Å | ||
| 925 | K | 38.1 | Very low | 41.6 | Very low | 223 Ų | 223 | 111.1 Ų | 111.1 | 97% | 0.97 | 56% | 0.555 | S | S | * | * | trans | -69.8 | 8.7 | 167.1 | -72.1 | -177.1 | 176.3 | 176.4 | 0 | 113.9 | ||||
| 926 | S | 37.8 | Very low | 41.5 | Very low | 81 Ų | 81 | 114 Ų | 114 | 57% | 0.566 | 57% | 0.567 | S | S | * | * | S | Bend | trans | -106.9 | 114.5 | -176.5 | 86.2 | 0 | 0 | 0 | 0 | 111.3 | D924 N928 | D924-S926 PolarHBondContact O-N 3.18Å; D924-S926 VanDerWaalsContact O-N 3.09Å; S926-N928 PolarHBondContact O-N 3.21Å |
| 927 | K | 33.1 | Very low | 41.7 | Very low | 194 Ų | 194 | 115.5 Ų | 115.5 | 84% | 0.843 | 58% | 0.575 | S | S | * | * | S | Bend | trans | 25.9 | 87.4 | 156.5 | -64.2 | 179.8 | 178.6 | 178 | 0 | 116.3 | ||
| 928 | N | 31.7 | Very low | 42.3 | Very low | 87 Ų | 87 | 114.6 Ų | 114.6 | 47% | 0.465 | 57% | 0.569 | S | S | . | * | 171.8 | 101.4 | 127.2 | -90.9 | -45.3 | 0 | 0 | 0 | 109.7 | S926 R930 Y931 | S926-N928 PolarHBondContact O-N 3.21Å; N928-R930 PolarHBondContact O-N 2.82Å; N928-Y931 HydrophobicContact CB-CE2 4Å; N928-Y931 WeakPolarHBondContact O-CD2 3.43Å; N928-Y931 VanDerWaalsContact O-CE2 3.27Å; N928-Y931 WeakPolarHBondContact O-CE2 3.14Å | |||
| 929 | S | 31.5 | Very low | 43.4 | Very low | 127 Ų | 127 | 111.3 Ų | 111.3 | 89% | 0.888 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.2 | 24.3 | 169.2 | -176.3 | 0 | 0 | 0 | 0 | 113.7 | ||
| 930 | R | 33.1 | Very low | 44.6 | Very low | 204 Ų | 204 | 110.7 Ų | 110.7 | 77% | 0.77 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.9 | 10.6 | -169.7 | -74.3 | -164.3 | -101.2 | -169.5 | -7.8 | 114.5 | N928 F932 | N928-R930 PolarHBondContact O-N 2.82Å; R930-F932 PolarHBondContact O-N 2.9Å |
| 931 | Y | 35.9 | Very low | 45.8 | Very low | 173 Ų | 173 | 109 Ų | 109 | 68% | 0.678 | 54% | 0.539 | S | S | * | . | trans | -77.2 | -12.9 | -174.6 | -70.8 | -76 | 0 | 0 | 0 | 115.6 | N928 K933 | N928-Y931 HydrophobicContact CB-CE2 4Å; N928-Y931 WeakPolarHBondContact O-CD2 3.43Å; N928-Y931 VanDerWaalsContact O-CE2 3.27Å; N928-Y931 WeakPolarHBondContact O-CE2 3.14Å; Y931-K933 VanDerWaalsContact C-N 3.33Å; Y931-K933 PolarHBondContact O-N 3.5Å | ||
| 932 | F | 34.7 | Very low | 47.2 | Very low | 83 Ų | 83 | 112.2 Ų | 112.2 | 36% | 0.364 | 54% | 0.542 | S | S | . | . | trans | -88 | 74.6 | 164.7 | -94.5 | -82.1 | 0 | 0 | 0 | 110.2 | L916 T920 R930 R934 Y1431 | L916-F932 HydrophobicContact CB-CE2 4.08Å; L916-F932 HydrophobicContact CB-CZ 3.86Å; L916-F932 HydrophobicContact CD1-CZ 4.36Å; L916-F932 HydrophobicContact CD2-CZ 4.13Å; L916-F932 HydrophobicContact CG-CZ 4.33Å; T920-F932 HydrophobicContact CG2-CD2 4.16Å; T920-F932 HydrophobicContact CG2-CE2 3.84Å; R930-F932 PolarHBondContact O-N 2.9Å; F932-R934 PolarHBondContact O-N 2.9Å; F932-Y1431 HydrophobicContact CE1-CD2 4.18Å; F932-Y1431 AromaticContact CE1-CE2 4Å; F932-Y1431 HydrophobicContact CE1-CE2 4Å; F932-Y1431 HydrophobicContact CE2-CE2 4.42Å; F932-Y1431 HydrophobicContact CZ-CD2 4.06Å; F932-Y1431 AromaticContact CZ-CE2 3.48Å; F932-Y1431 HydrophobicContact CZ-CE2 3.48Å; F932-Y1431 VanDerWaalsContact CZ-CE2 3.48Å | ||
| 933 | K | 36.8 | Very low | 48.3 | Very low | 165 Ų | 165 | 108.6 Ų | 108.6 | 72% | 0.717 | 51% | 0.512 | S | S | * | . | trans | -74.1 | 113.2 | 155.1 | -117.2 | -178.8 | 178.5 | -176.1 | 0 | 106.1 | Y931 D935 | Y931-K933 VanDerWaalsContact C-N 3.33Å; Y931-K933 PolarHBondContact O-N 3.5Å; K933-D935 VanDerWaalsContact C-N 3.26Å; K933-D935 PolarHBondContact O-N 3.1Å | ||
| 934 | R | 39.4 | Very low | 49.5 | Very low | 155 Ų | 155 | 110.7 Ų | 110.7 | 59% | 0.585 | 51% | 0.512 | S | S | * | . | trans | -63.4 | 97.4 | 165.2 | -66.6 | 179 | -177.3 | 173.2 | 0.3 | 105.5 | E913 F932 K936 | E913-R934 IonicContact OE1-NH2 2.85Å; F932-R934 PolarHBondContact O-N 2.9Å; R934-K936 PolarHBondContact O-N 3.01Å | ||
| 935 | D | 48.8 | Very low | 50.8 | Low | 104 Ų | 104 | 107.8 Ų | 107.8 | 56% | 0.556 | 49% | 0.491 | S | S | * | . | trans | -59.4 | 112.6 | 168.1 | -72.3 | -20.8 | 0 | 0 | 0 | 105.8 | K933 I937 | K933-D935 VanDerWaalsContact C-N 3.26Å; K933-D935 PolarHBondContact O-N 3.1Å; D935-I937 PolarHBondContact O-N 2.79Å; D935-I937 VanDerWaalsContact O-N 3.15Å | ||
| 936 | K | 57.2 | Low | 51.7 | Low | 70 Ų | 70 | 107.6 Ų | 107.6 | 30% | 0.304 | 49% | 0.49 | S | S | . | . | trans | -66.1 | 115.8 | 179.9 | -173.9 | 162.8 | 179.5 | 162.1 | 0 | 106.2 | E807 R934 I938 Y939 | E807-K936 IonicContact OE1-NZ 3.27Å; R934-K936 PolarHBondContact O-N 3.01Å; K936-I938 WeakPolarHBondContact CE-O 3.36Å; K936-I938 VanDerWaalsContact CG-O 3.24Å; K936-I938 WeakPolarHBondContact CG-O 3.36Å; K936-Y939 HydrophobicContact CB-CE2 4.41Å; K936-Y939 WeakPolarHBondContact O-CE2 3.24Å; K936-Y939 PolarHBondContact O-OH 2.88Å | ||
| 937 | I | 63.8 | Low | 53 | Low | 39 Ų | 39 | 113.6 Ų | 113.6 | 20% | 0.2 | 50% | 0.5 | C | S | . | . | trans | -85.9 | -31.6 | -178.1 | -59.6 | 175.1 | 0 | 0 | 0 | 110.3 | I777 I778 Q799 D935 | I777-I937 WeakPolarHBondContact CA-O 3.2Å; I777-I937 HydrophobicContact CG2-CG2 4.31Å; I778-I937 HydrophobicContact CB-CG2 4.23Å; I778-I937 PolarHBondContact N-O 2.98Å; I778-I937 WeakPolarHBondContact O-CG2 3.45Å; Q799-I937 HydrophobicContact CB-CD1 4.3Å; D935-I937 PolarHBondContact O-N 2.79Å; D935-I937 VanDerWaalsContact O-N 3.15Å | ||
| 938 | I | 68.1 | Low | 54.7 | Low | 65 Ų | 65 | 108 Ų | 108 | 33% | 0.333 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 118.6 | -176.4 | -54.1 | 176 | 0 | 0 | 0 | 109 | I776 I777 K936 T940 | I776-I938 WeakPolarHBondContact O-CA 3.3Å; I777-I938 HydrophobicContact CG1-CG1 4.37Å; I777-I938 HydrophobicContact CG1-CG2 4.44Å; I777-I938 HydrophobicContact CG2-CG1 4.49Å; K936-I938 WeakPolarHBondContact CE-O 3.36Å; K936-I938 VanDerWaalsContact CG-O 3.24Å; K936-I938 WeakPolarHBondContact CG-O 3.36Å; I938-T940 HydrophobicContact CG2-CG2 4.44Å |
| 939 | Y | 74.2 | Confident | 56.9 | Low | 27 Ų | 27 | 104.1 Ų | 104.1 | 11% | 0.106 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 133.7 | 174.5 | -67.3 | -101.9 | 0 | 0 | 0 | 109.8 | K775 I776 I778 K936 P949 W1207 | K775-Y939 WeakPolarHBondContact CA-O 3.33Å; I776-Y939 PolarHBondContact N-O 2.77Å; I776-Y939 PolarHBondContact O-N 3.48Å; I778-Y939 HydrophobicContact CD1-CE2 4.31Å; K936-Y939 HydrophobicContact CB-CE2 4.41Å; K936-Y939 WeakPolarHBondContact O-CE2 3.24Å; K936-Y939 PolarHBondContact O-OH 2.88Å; Y939-P949 HydrophobicContact CD1-CB 4.23Å; Y939-P949 HydrophobicContact CE1-CB 3.63Å; Y939-P949 HydrophobicContact CE2-CB 4.49Å; Y939-W1207 AromaticContact CD2-CH2 3.28Å; Y939-W1207 HydrophobicContact CD2-CH2 3.28Å; Y939-W1207 AromaticContact CD2-CZ2 3.85Å; Y939-W1207 HydrophobicContact CD2-CZ2 3.85Å; Y939-W1207 HydrophobicContact CD2-CZ3 4.29Å; Y939-W1207 AromaticContact CE2-CH2 3.34Å; Y939-W1207 HydrophobicContact CE2-CH2 3.34Å; Y939-W1207 HydrophobicContact CE2-CZ2 4.27Å; Y939-W1207 AromaticContact CE2-CZ3 3.91Å; Y939-W1207 HydrophobicContact CE2-CZ3 3.91Å; Y939-W1207 AromaticContact CG-CH2 3.92Å; Y939-W1207 HydrophobicContact CG-CH2 3.92Å; Y939-W1207 HydrophobicContact CG-CZ2 4.05Å |
| 940 | T | 74.8 | Confident | 59 | Low | 16 Ų | 16 | 101.2 Ų | 101.2 | 10% | 0.098 | 44% | 0.435 | C | S | . | . | trans | -123.5 | 162.5 | 179 | 64.7 | 0 | 0 | 0 | 0 | 108.3 | K775 E807 I938 R942 S943 | K775-T940 HydrophobicContact CG-CG2 4.32Å; E807-T940 PolarHBondContact OE1-OG1 3.04Å; E807-T940 PolarHBondContact OE2-OG1 3.42Å; I938-T940 HydrophobicContact CG2-CG2 4.44Å; T940-R942 PolarHBondContact O-N 3.16Å; T940-R942 VanDerWaalsContact O-N 3.1Å; T940-R942 PolarHBondContact OG1-N 3.37Å; T940-S943 PolarHBondContact N-OG 3.13Å; T940-S943 VanDerWaalsContact O-CB 3.26Å; T940-S943 WeakPolarHBondContact O-CB 3.48Å; T940-S943 PolarHBondContact O-N 3.34Å; T940-S943 PolarHBondContact O-OG 3.31Å; T940-S943 PolarHBondContact OG1-N 3.08Å | ||
| 941 | P | 68.3 | Low | 61.3 | Low | 14 Ų | 14 | 91.5 Ų | 91.5 | 9% | 0.091 | 40% | 0.398 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -18.3 | 173.4 | -7.7 | 5.1 | 0 | 0 | 0 | 114.7 | L771 F774 I1201 L1203 | L771-P941 WeakPolarHBondContact O-CG 3.43Å; F774-P941 HydrophobicContact CB-CG 4.23Å; F774-P941 WeakPolarHBondContact O-CD 3.31Å; P941-I1201 HydrophobicContact CB-CG2 3.12Å; P941-I1201 HydrophobicContact CG-CG2 4.18Å; P941-L1203 HydrophobicContact CB-CD2 4.36Å; P941-L1203 HydrophobicContact CG-CD2 4.15Å |
| 942 | R | 69.1 | Low | 63.2 | Low | 197 Ų | 197 | 83.7 Ų | 83.7 | 74% | 0.743 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | -7.1 | 174.9 | -67.9 | -178.8 | 176.7 | 163.2 | -1.2 | 113.1 | T940 K944 | T940-R942 PolarHBondContact O-N 3.16Å; T940-R942 VanDerWaalsContact O-N 3.1Å; T940-R942 PolarHBondContact OG1-N 3.37Å; R942-K944 PolarHBondContact O-N 2.9Å |
| 943 | S | 66.7 | Low | 65.3 | Low | 9 Ų | 9 | 81.1 Ų | 81.1 | 6% | 0.063 | 36% | 0.359 | C | S | . | . | trans | -69.2 | 118.3 | -178.6 | 67.3 | 0 | 0 | 0 | 0 | 111.2 | T940 Y945 | T940-S943 PolarHBondContact N-OG 3.13Å; T940-S943 VanDerWaalsContact O-CB 3.26Å; T940-S943 WeakPolarHBondContact O-CB 3.48Å; T940-S943 PolarHBondContact O-N 3.34Å; T940-S943 PolarHBondContact O-OG 3.31Å; T940-S943 PolarHBondContact OG1-N 3.08Å; S943-Y945 WeakPolarHBondContact O-CD1 3.15Å; S943-Y945 WeakPolarHBondContact O-CE1 3.42Å | ||
| 944 | K | 63.2 | Low | 67 | Low | 152 Ų | 152 | 75 Ų | 75 | 66% | 0.661 | 34% | 0.343 | S | S | * | . | trans | -76.4 | 119.6 | 169.5 | -68.3 | -175.7 | -178.2 | 176.7 | 0 | 109 | E811 D812 R942 | E811-K944 PolarHBondContact O-NZ 3.43Å; D812-K944 IonicContact OD1-NZ 3.6Å; D812-K944 PolarHBondContact OD1-NZ 2.89Å; D812-K944 IonicContact OD2-NZ 3.33Å; D812-K944 PolarHBondContact OD2-NZ 3.46Å; R942-K944 PolarHBondContact O-N 2.9Å | ||
| 945 | Y | 60.8 | Low | 68.9 | Low | 79 Ų | 79 | 69.3 Ų | 69.3 | 31% | 0.31 | 32% | 0.322 | S | S | . | . | trans | -127.2 | 120 | 173.4 | 46.8 | -88.6 | 0 | 0 | 0 | 110.5 | S943 R947 P1204 | S943-Y945 WeakPolarHBondContact O-CD1 3.15Å; S943-Y945 WeakPolarHBondContact O-CE1 3.42Å; Y945-R947 VanDerWaalsContact C-N 3.33Å; Y945-P1204 HydrophobicContact CE1-CB 4.03Å | ||
| 946 | K | 56.6 | Low | 70.4 | Confident | 219 Ų | 219 | 65.8 Ų | 65.8 | 95% | 0.952 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -78.3 | -16.9 | 179.1 | -73.5 | -171 | 177.7 | -175.2 | 0 | 113.5 | ||
| 947 | R | 64 | Low | 71.7 | Confident | 206 Ų | 206 | 62.4 Ų | 62.4 | 78% | 0.777 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -132 | 155.2 | 179.6 | -67.8 | -174.7 | -179.8 | 178.2 | -2.1 | 108.2 | Y945 | Y945-R947 VanDerWaalsContact C-N 3.33Š|
| 948 | M | 70.3 | Confident | 72.6 | Confident | 77 Ų | 77 | 60.6 Ų | 60.6 | 38% | 0.379 | 28% | 0.278 | S | S | . | . | trans | -55 | 129.8 | 174 | -165.3 | 149.5 | 74.5 | 0 | 0 | 109.6 | Q1085 D1206 | M948-Q1085 VanDerWaalsContact CE-CD 3.47Å; M948-Q1085 HydrophobicContact CE-CG 3.93Å; M948-Q1085 PolarHBondContact SD-NE2 2.88Å; M948-Q1085 VanDerWaalsContact SD-NE2 3.45Å; M948-D1206 HydrophobicContact CG-CB 4.48Å; M948-D1206 HydrophobicContact SD-CB 3.92Å | ||
| 949 | P | 77.3 | Confident | 73.5 | Confident | 6 Ų | 6 | 57.5 Ų | 57.5 | 4% | 0.039 | 26% | 0.262 | C | S | . | . | trans | -64.2 | 143.9 | 179.8 | 28.2 | -35.7 | 0 | 0 | 0 | 110.4 | Y939 D1206 W1207 S1208 | Y939-P949 HydrophobicContact CD1-CB 4.23Å; Y939-P949 HydrophobicContact CE1-CB 3.63Å; Y939-P949 HydrophobicContact CE2-CB 4.49Å; P949-D1206 WeakPolarHBondContact CD-O 3.24Å; P949-D1206 VanDerWaalsContact CG-O 3.26Å; P949-D1206 WeakPolarHBondContact CG-O 2.94Å; P949-W1207 HydrophobicContact CB-CD2 4.08Å; P949-W1207 HydrophobicContact CB-CE3 3.77Å; P949-W1207 HydrophobicContact CB-CH2 4.01Å; P949-W1207 HydrophobicContact CB-CZ2 4.21Å; P949-W1207 HydrophobicContact CB-CZ3 3.75Å; P949-W1207 HydrophobicContact CG-CD2 3.87Å; P949-W1207 HydrophobicContact CG-CE3 4.08Å; P949-W1207 HydrophobicContact CG-CG 4.34Å; P949-W1207 HydrophobicContact CG-CZ2 4.23Å; P949-W1207 HydrophobicContact CG-CZ3 4.42Å; P949-W1207 WeakPolarHBondContact O-CA 3.32Å; P949-S1208 PolarHBondContact O-N 3.2Å | ||
| 950 | T | 75.7 | Confident | 74 | Confident | 65 Ų | 65 | 60 Ų | 60 | 40% | 0.399 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 145.4 | -176.9 | 51.9 | 0 | 0 | 0 | 0 | 110.8 | S1208 T1210 | T950-S1208 CarbonylContact C-O 3.45Å; T950-S1208 WeakPolarHBondContact CA-O 3.25Å; T950-S1208 WeakPolarHBondContact CG2-OG 2.86Å; T950-T1210 HydrophobicContact CG2-CG2 3.73Å |
| 951 | F | 80.5 | Confident | 74.5 | Confident | 1 Ų | 1 | 59.3 Ų | 59.3 | 0% | 0.004 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 154 | 169 | 80.2 | -79.5 | 0 | 0 | 0 | 112.3 | I778 L957 A1080 I1086 W1207 S1208 I1209 T1210 | I778-F951 HydrophobicContact CD1-CB 4.12Å; I778-F951 HydrophobicContact CG1-CB 4.29Å; F951-L957 HydrophobicContact CB-CD1 4.47Å; F951-L957 HydrophobicContact CD1-CD1 4.43Å; F951-L957 HydrophobicContact CD1-CD2 4.25Å; F951-L957 HydrophobicContact CD2-CB 4.31Å; F951-L957 HydrophobicContact CE1-CD2 4.08Å; F951-L957 HydrophobicContact CE2-CB 4.17Å; F951-L957 HydrophobicContact CG-CD1 4.32Å; F951-L957 HydrophobicContact CZ-CB 4.3Å; F951-L957 HydrophobicContact CZ-CD2 4.48Å; F951-A1080 HydrophobicContact CE2-CB 4.11Å; F951-A1080 HydrophobicContact CZ-CB 3.77Å; F951-I1086 HydrophobicContact CE1-CD1 4.33Å; F951-I1086 HydrophobicContact CZ-CD1 4.01Å; F951-W1207 HydrophobicContact CB-CE3 4.13Å; F951-W1207 HydrophobicContact CB-CZ3 4.16Å; F951-W1207 HydrophobicContact CD1-CB 4.1Å; F951-W1207 HydrophobicContact CD1-CD2 4.45Å; F951-W1207 AromaticContact CD1-CE3 3.93Å; F951-W1207 HydrophobicContact CD1-CE3 3.93Å; F951-W1207 HydrophobicContact CE1-CB 4.17Å; F951-W1207 HydrophobicContact CG-CE3 4.46Å; F951-S1208 PolarHBondContact N-O 3.05Å; F951-I1209 HydrophobicContact CD1-CG1 4.3Å; F951-I1209 HydrophobicContact CE1-CD1 4.47Å; F951-I1209 HydrophobicContact CE1-CG1 3.53Å; F951-I1209 HydrophobicContact CE2-CG1 4.48Å; F951-I1209 HydrophobicContact CZ-CD1 4.41Å; F951-I1209 HydrophobicContact CZ-CG1 3.65Å; F951-I1209 WeakPolarHBondContact O-CA 3.23Å; F951-T1210 PolarHBondContact O-N 2.82Å; F951-T1210 PolarHBondContact O-OG1 3.2Å |
| 952 | P | 76.4 | Confident | 75.1 | Confident | 9 Ų | 9 | 59.2 Ų | 59.2 | 6% | 0.058 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 144.5 | -175.5 | -19.8 | 35.2 | 0 | 0 | 0 | 113.8 | G954 E955 V1213 | P952-G954 PolarHBondContact O-N 2.91Å; P952-E955 HydrophobicContact CB-CB 4.32Å; P952-E955 HydrophobicContact CB-CG 4.03Å; P952-E955 HydrophobicContact CG-CG 4.32Å; P952-E955 WeakPolarHBondContact CG-OE2 3.13Å; P952-E955 PolarHBondContact O-N 3.14Å; P952-V1213 HydrophobicContact CB-CB 4.37Å; P952-V1213 HydrophobicContact CB-CG2 3.92Å; P952-V1213 HydrophobicContact CG-CB 4.31Å; P952-V1213 HydrophobicContact CG-CG2 3.88Å |
| 953 | L | 79.9 | Confident | 75.7 | Confident | 29 Ų | 29 | 50.1 Ų | 50.1 | 15% | 0.152 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | 132 | 168.3 | -172.7 | 70 | 0 | 0 | 0 | 111.7 | E955 A1080 K1081 Q1082 L1083 I1209 T1210 P1212 | L953-E955 VanDerWaalsContact C-N 3.28Å; L953-E955 PolarHBondContact O-N 3.06Å; L953-A1080 HydrophobicContact CD1-CB 4.41Å; L953-A1080 WeakPolarHBondContact CD1-O 3.36Å; L953-K1081 VanDerWaalsContact CD1-C 3.44Å; L953-Q1082 WeakPolarHBondContact CD1-O 3.34Å; L953-L1083 HydrophobicContact CB-CD2 4.43Å; L953-L1083 HydrophobicContact CD2-CD2 4.43Å; L953-I1209 HydrophobicContact CB-CG2 3.97Å; L953-I1209 HydrophobicContact CD1-CG2 3.8Å; L953-T1210 WeakPolarHBondContact CB-O 3.29Å; L953-T1210 PolarHBondContact N-O 3.16Å; L953-P1212 HydrophobicContact CB-CG 4.12Å; L953-P1212 HydrophobicContact CD2-CG 4.05Å |
| 954 | G | 72.9 | Confident | 76.2 | Confident | 37 Ų | 37 | 52 Ų | 52 | 38% | 0.381 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81.5 | -8.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | P952 A1080 | P952-G954 PolarHBondContact O-N 2.91Å; G954-A1080 PolarHBondContact N-O 2.91Å |
| 955 | E | 78.6 | Confident | 76.9 | Confident | 34 Ų | 34 | 44.9 Ų | 44.9 | 16% | 0.159 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -86.9 | 156.8 | 171.8 | -69.2 | -167.7 | 171.3 | 0 | 0 | 111.6 | P952 L953 S1215 R1430 | P952-E955 HydrophobicContact CB-CB 4.32Å; P952-E955 HydrophobicContact CB-CG 4.03Å; P952-E955 HydrophobicContact CG-CG 4.32Å; P952-E955 WeakPolarHBondContact CG-OE2 3.13Å; P952-E955 PolarHBondContact O-N 3.14Å; L953-E955 VanDerWaalsContact C-N 3.28Å; L953-E955 PolarHBondContact O-N 3.06Å; E955-S1215 PolarHBondContact OE1-OG 2.94Å; E955-S1215 VanDerWaalsContact OE1-OG 3.12Å; E955-R1430 IonicContact OE1-NH1 3.28Å |
| 956 | H | 80.1 | Confident | 77.2 | Confident | 30 Ų | 30 | 42.7 Ų | 42.7 | 14% | 0.139 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 131.2 | 178.5 | -72.4 | -108.7 | 0 | 0 | 0 | 110.6 | G779 K780 S1077 I1079 | G779-H956 PolarHBondContact N-O 3.31Å; K780-H956 WeakPolarHBondContact CE-NE2 3.44Å; K780-H956 HydrophobicContact CG-CB 4.36Å; H956-S1077 PolarHBondContact ND1-OG 3.25Å; H956-I1079 WeakPolarHBondContact CE1-CD1 3.02Å; H956-I1079 WeakPolarHBondContact NE2-CD1 3.23Å |
| 957 | L | 84.3 | Confident | 77.7 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 107.5 | 162.9 | -171.2 | 69.3 | 0 | 0 | 0 | 108 | I776 I778 F951 S1077 I1078 I1088 W1207 | I776-L957 HydrophobicContact CG2-CD1 3.44Å; I776-L957 VanDerWaalsContact CG2-CD1 3.44Å; I776-L957 HydrophobicContact CG2-CD2 4.36Å; I776-L957 HydrophobicContact CG2-CG 3.78Å; I778-L957 HydrophobicContact CG1-CD1 4.23Å; F951-L957 HydrophobicContact CB-CD1 4.47Å; F951-L957 HydrophobicContact CD1-CD1 4.43Å; F951-L957 HydrophobicContact CD1-CD2 4.25Å; F951-L957 HydrophobicContact CD2-CB 4.31Å; F951-L957 HydrophobicContact CE1-CD2 4.08Å; F951-L957 HydrophobicContact CE2-CB 4.17Å; F951-L957 HydrophobicContact CG-CD1 4.32Å; F951-L957 HydrophobicContact CZ-CB 4.3Å; F951-L957 HydrophobicContact CZ-CD2 4.48Å; L957-S1077 WeakPolarHBondContact O-CA 3.11Å; L957-I1078 HydrophobicContact CB-CG1 3.85Å; L957-I1078 HydrophobicContact CD2-CD1 4.16Å; L957-I1078 HydrophobicContact CD2-CG1 4.37Å; L957-I1078 PolarHBondContact N-O 3.36Å; L957-I1078 PolarHBondContact O-N 2.76Å; L957-I1088 HydrophobicContact CD2-CD1 4.12Å; L957-W1207 HydrophobicContact CD1-CD2 4.11Å; L957-W1207 HydrophobicContact CD1-CE3 4.06Å; L957-W1207 HydrophobicContact CD1-CH2 3.85Å; L957-W1207 HydrophobicContact CD1-CZ2 4.01Å; L957-W1207 HydrophobicContact CD1-CZ3 3.91Å; L957-W1207 HydrophobicContact CD2-CB 4.49Å; L957-W1207 HydrophobicContact CD2-CD2 4.01Å; L957-W1207 HydrophobicContact CD2-CG 3.93Å |
| 958 | T | 82.4 | Confident | 77.9 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 118.5 | -174.7 | -60.4 | 0 | 0 | 0 | 0 | 111 | I776 I777 G779 P781 Q1075 L1076 S1077 | I776-T958 WeakPolarHBondContact CA-O 3.26Å; I777-T958 PolarHBondContact N-O 2.94Å; I777-T958 WeakPolarHBondContact O-CA 3.46Å; I777-T958 WeakPolarHBondContact O-CB 3.38Å; I777-T958 PolarHBondContact O-N 2.75Å; G779-T958 WeakPolarHBondContact O-CB 3.13Å; G779-T958 PolarHBondContact O-OG1 2.81Å; P781-T958 HydrophobicContact CG-CG2 4.13Å; T958-Q1075 HydrophobicContact CG2-CG 3.28Å; T958-L1076 CarbonylContact C-O 3.57Å; T958-L1076 WeakPolarHBondContact CA-O 3.12Å; T958-S1077 WeakPolarHBondContact OG1-CB 3.34Å |
| 959 | V | 86.7 | Confident | 77.9 | Confident | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 123.9 | 176.2 | -169.3 | 0 | 0 | 0 | 0 | 108.5 | F774 I776 I961 L978 Q1075 L1076 I1088 | F774-V959 HydrophobicContact CE1-CG1 4.33Å; F774-V959 HydrophobicContact CE2-CG1 3.78Å; F774-V959 HydrophobicContact CZ-CG1 3.55Å; I776-V959 HydrophobicContact CG1-CG1 4.3Å; I776-V959 HydrophobicContact CG1-CG2 4.42Å; V959-I961 HydrophobicContact CG1-CD1 3.9Å; V959-I961 HydrophobicContact CG1-CG1 3.62Å; V959-L978 HydrophobicContact CB-CD1 3.98Å; V959-L978 HydrophobicContact CB-CD2 4.17Å; V959-L978 HydrophobicContact CG1-CD2 4.38Å; V959-L978 HydrophobicContact CG2-CD1 3.65Å; V959-L978 HydrophobicContact CG2-CD2 4.23Å; V959-Q1075 WeakPolarHBondContact O-CA 3.37Å; V959-L1076 PolarHBondContact N-O 2.64Å; V959-L1076 PolarHBondContact O-N 2.63Å; V959-I1088 HydrophobicContact CG2-CD1 3.69Å |
| 960 | R | 84.9 | Confident | 77.7 | Confident | 81 Ų | 81 | 28.8 Ų | 28.8 | 31% | 0.306 | 15% | 0.153 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 118.2 | 172.6 | -175.9 | -177.8 | -177.3 | -179.2 | 2.1 | 109.3 | K775 L1074 | K775-R960 HydrophobicContact CB-CB 4.29Å; K775-R960 PolarHBondContact N-O 2.87Å; K775-R960 PolarHBondContact O-N 2.89Å; R960-L1074 CarbonylContact C-O 3.55Å; R960-L1074 WeakPolarHBondContact CA-O 3.5Å |
| 961 | I | 85.9 | Confident | 77.8 | Confident | 1 Ų | 1 | 25.7 Ų | 25.7 | 1% | 0.005 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 126.7 | -172.9 | -51.3 | 172 | 0 | 0 | 0 | 107.5 | I769 F774 V959 L963 L978 Y1073 L1074 L1091 F1187 | I769-I961 HydrophobicContact CG1-CG2 4.4Å; I769-I961 HydrophobicContact CG2-CG2 3.71Å; F774-I961 HydrophobicContact CD2-CG1 4.18Å; F774-I961 HydrophobicContact CD2-CG2 4.48Å; F774-I961 HydrophobicContact CE2-CD1 4.41Å; F774-I961 HydrophobicContact CE2-CG1 3.91Å; V959-I961 HydrophobicContact CG1-CD1 3.9Å; V959-I961 HydrophobicContact CG1-CG1 3.62Å; I961-L963 HydrophobicContact CG2-CD2 3.69Å; I961-L963 HydrophobicContact CG2-CG 4.31Å; I961-L978 HydrophobicContact CD1-CD2 4.05Å; I961-Y1073 CarbonylContact O-C 3.44Å; I961-Y1073 WeakPolarHBondContact O-CA 3.26Å; I961-L1074 HydrophobicContact CB-CB 4.48Å; I961-L1074 PolarHBondContact N-O 3.32Å; I961-L1074 PolarHBondContact O-N 2.96Å; I961-L1091 HydrophobicContact CD1-CD1 3.63Å; I961-L1091 HydrophobicContact CD1-CD2 3.73Å; I961-L1091 HydrophobicContact CD1-CG 3.81Å; I961-L1091 HydrophobicContact CG2-CD1 4.36Å; I961-F1187 HydrophobicContact CD1-CE1 4.1Å; I961-F1187 HydrophobicContact CD1-CE2 4.43Å; I961-F1187 HydrophobicContact CD1-CZ 3.5Å; I961-F1187 VanDerWaalsContact CD1-CZ 3.5Å; I961-F1187 HydrophobicContact CG1-CZ 4.48Å |
| 962 | T | 81.4 | Confident | 77.7 | Confident | 12 Ų | 12 | 26 Ų | 26 | 7% | 0.074 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 115.2 | 175.8 | -59.4 | 0 | 0 | 0 | 0 | 108.2 | D770 N773 | D770-T962 HydrophobicContact CB-CG2 4.13Å; D770-T962 PolarHBondContact N-O 3.1Å; N773-T962 HydrophobicContact CB-CG2 4.33Å; N773-T962 WeakPolarHBondContact CB-OG1 3.38Å |
| 963 | L | 82.2 | Confident | 78 | Confident | 5 Ų | 5 | 25.8 Ų | 25.8 | 3% | 0.026 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 127 | -178.3 | -60.5 | 178.8 | 0 | 0 | 0 | 109.2 | P767 I769 I961 F1059 I1061 S1071 R1072 L1074 L1091 | P767-L963 HydrophobicContact CB-CB 4.24Å; P767-L963 HydrophobicContact CG-CB 4.18Å; P767-L963 HydrophobicContact CG-CD1 3.92Å; P767-L963 HydrophobicContact CG-CD2 4.08Å; P767-L963 HydrophobicContact CG-CG 4.28Å; I769-L963 HydrophobicContact CG1-CD2 3.85Å; I961-L963 HydrophobicContact CG2-CD2 3.69Å; I961-L963 HydrophobicContact CG2-CG 4.31Å; L963-F1059 HydrophobicContact CD1-CE1 3.83Å; L963-F1059 HydrophobicContact CD1-CZ 4.47Å; L963-I1061 HydrophobicContact CB-CD1 3.83Å; L963-I1061 HydrophobicContact CD1-CD1 4.21Å; L963-S1071 CarbonylContact O-C 3.51Å; L963-S1071 VanDerWaalsContact O-CA 3.29Å; L963-S1071 WeakPolarHBondContact O-CA 2.99Å; L963-R1072 PolarHBondContact N-O 3.27Å; L963-R1072 PolarHBondContact O-N 3.49Å; L963-L1074 HydrophobicContact CD1-CB 4.03Å; L963-L1074 HydrophobicContact CD1-CD2 4.01Å; L963-L1074 HydrophobicContact CG-CB 4.47Å; L963-L1091 HydrophobicContact CD2-CD1 4.38Å |
| 964 | I | 75.9 | Confident | 78 | Confident | 50 Ų | 50 | 25.6 Ų | 25.6 | 26% | 0.256 | 13% | 0.134 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 127.7 | 175.7 | -60.8 | 174 | 0 | 0 | 0 | 107.9 | I768 D770 P966 L1070 | I768-I964 PolarHBondContact N-O 2.83Å; I768-I964 PolarHBondContact O-N 3.37Å; D770-I964 HydrophobicContact CB-CD1 3.83Å; D770-I964 HydrophobicContact CB-CG1 4.19Å; I964-P966 WeakPolarHBondContact O-CD 3.11Å; I964-L1070 WeakPolarHBondContact CA-O 3Å; I964-L1070 HydrophobicContact CG2-CB 4.29Å |
| 965 | N | 77.7 | Confident | 78.3 | Confident | 2 Ų | 2 | 26.9 Ų | 26.9 | 1% | 0.011 | 13% | 0.132 | C | C | . | . | trans | -91.4 | 101.5 | 166.1 | -177.9 | 5.7 | 0 | 0 | 0 | 108.5 | M967 I969 L971 I1061 L1070 | N965-M967 VanDerWaalsContact CG-O 3.23Å; N965-M967 PolarHBondContact ND2-O 3Å; N965-M967 PolarHBondContact O-N 2.86Å; N965-M967 WeakPolarHBondContact OD1-CA 3.21Å; N965-M967 WeakPolarHBondContact OD1-CB 2.92Å; N965-M967 PolarHBondContact OD1-N 3.19Å; N965-M967 PolarHBondContact OD1-O 2.77Å; N965-M967 VanDerWaalsContact OD1-O 3.06Å; N965-I969 PolarHBondContact ND2-O 2.74Å; N965-L971 HydrophobicContact CB-CD1 4.09Å; N965-L971 VanDerWaalsContact CG-CD1 3.49Å; N965-L971 VanDerWaalsContact OD1-CD1 3.3Å; N965-L971 WeakPolarHBondContact OD1-CD1 3.27Å; N965-I1061 HydrophobicContact CB-CB 4.26Å; N965-I1061 HydrophobicContact CB-CG2 3.56Å; N965-I1061 PolarHBondContact ND2-O 3.5Å; N965-L1070 PolarHBondContact N-O 3.43Å | ||
| 966 | P | 68.3 | Low | 78.6 | Confident | 33 Ų | 33 | 25.4 Ų | 25.4 | 21% | 0.214 | 13% | 0.126 | C | C | . | . | trans | -70.1 | -13.9 | 176.8 | 31.6 | -37.6 | 0 | 0 | 0 | 112.5 | L766 I768 I964 | L766-P966 HydrophobicContact CD2-CG 3.21Å; I768-P966 HydrophobicContact CD1-CB 4.05Å; I768-P966 HydrophobicContact CD1-CG 3.77Å; I768-P966 HydrophobicContact CG1-CG 4.17Å; I964-P966 WeakPolarHBondContact O-CD 3.11Å | ||
| 967 | M | 67.6 | Low | 78.8 | Confident | 3 Ų | 3 | 26.2 Ų | 26.2 | 2% | 0.015 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -98.4 | 151.1 | -176.6 | -54.2 | -162.8 | 100.1 | 0 | 0 | 111.8 | L725 Q736 V740 L766 N965 I969 | L725-M967 HydrophobicContact CD2-CE 3.55Å; L725-M967 HydrophobicContact CD2-SD 4.01Å; Q736-M967 HydrophobicContact CB-CE 3.41Å; Q736-M967 VanDerWaalsContact CB-CE 3.41Å; Q736-M967 HydrophobicContact CG-CE 3.5Å; Q736-M967 VanDerWaalsContact CG-CE 3.5Å; V740-M967 HydrophobicContact CG2-CE 4.35Å; V740-M967 HydrophobicContact CG2-SD 3.97Å; L766-M967 HydrophobicContact CD1-CG 4.06Å; L766-M967 HydrophobicContact CD1-SD 3.47Å; L766-M967 WeakPolarHBondContact CD1-SD 3.14Å; L766-M967 HydrophobicContact CD2-CG 4.34Å; N965-M967 VanDerWaalsContact CG-O 3.23Å; N965-M967 PolarHBondContact ND2-O 3Å; N965-M967 PolarHBondContact O-N 2.86Å; N965-M967 WeakPolarHBondContact OD1-CA 3.21Å; N965-M967 WeakPolarHBondContact OD1-CB 2.92Å; N965-M967 PolarHBondContact OD1-N 3.19Å; N965-M967 PolarHBondContact OD1-O 2.77Å; N965-M967 VanDerWaalsContact OD1-O 3.06Å; M967-I969 HydrophobicContact CB-CD1 4.36Å; M967-I969 HydrophobicContact CB-CG1 3.76Å; M967-I969 PolarHBondContact O-N 2.61Å; M967-I969 HydrophobicContact SD-CD1 3.83Å; M967-I969 HydrophobicContact SD-CG1 4.27Å |
| 968 | R | 67.8 | Low | 79 | Confident | 130 Ų | 130 | 26.5 Ų | 26.5 | 49% | 0.491 | 13% | 0.131 | S | C | . | . | S | Bend | trans | -84.1 | 22.2 | 177 | -59.5 | -175.6 | -178.2 | 160.1 | 2.3 | 112.8 | A733 Y1063 | A733-R968 HydrophobicContact CB-CB 3.71Å; A733-R968 WeakPolarHBondContact CB-O 2.97Å; R968-Y1063 HydrophobicContact CB-CD1 4.43Å; R968-Y1063 HydrophobicContact CB-CD2 4.27Å; R968-Y1063 HydrophobicContact CB-CE2 4.39Å; R968-Y1063 HydrophobicContact CB-CG 4.3Å; R968-Y1063 HydrophobicContact CG-CD2 4.03Å; R968-Y1063 HydrophobicContact CG-CE1 4.23Å; R968-Y1063 HydrophobicContact CG-CE2 3.69Å; R968-Y1063 HydrophobicContact CG-CG 4.45Å |
| 969 | I | 69.9 | Low | 79.1 | Confident | 10 Ų | 10 | 26.6 Ų | 26.6 | 5% | 0.051 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -115.8 | 147.6 | -179.5 | 63.2 | 177.2 | 0 | 0 | 0 | 110.3 | A733 Q736 L737 V740 N965 M967 L971 | A733-I969 HydrophobicContact CB-CG2 4.3Å; A733-I969 WeakPolarHBondContact O-CG2 3.47Å; Q736-I969 HydrophobicContact CB-CG2 4.39Å; L737-I969 HydrophobicContact CB-CG2 4.25Å; V740-I969 HydrophobicContact CB-CD1 4.45Å; V740-I969 HydrophobicContact CG2-CD1 3.74Å; N965-I969 PolarHBondContact ND2-O 2.74Å; M967-I969 HydrophobicContact CB-CD1 4.36Å; M967-I969 HydrophobicContact CB-CG1 3.76Å; M967-I969 PolarHBondContact O-N 2.61Å; M967-I969 HydrophobicContact SD-CD1 3.83Å; M967-I969 HydrophobicContact SD-CG1 4.27Å; I969-L971 HydrophobicContact CD1-CD2 4.28Å; I969-L971 HydrophobicContact CG1-CD2 4.16Å |
| 970 | P | 73.5 | Confident | 79.2 | Confident | 73 Ų | 73 | 27 Ų | 27 | 47% | 0.474 | 13% | 0.133 | S | C | . | . | trans | -62.1 | 133.8 | 170.3 | -20.9 | 33.3 | 0 | 0 | 0 | 111.4 | L1062 | P970-L1062 HydrophobicContact CB-CD2 4.2Å; P970-L1062 HydrophobicContact CG-CD2 4.38Å | ||
| 971 | L | 76.6 | Confident | 79.2 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 119.1 | 172.7 | -58.4 | 177.5 | 0 | 0 | 0 | 109.5 | P767 N965 I969 F973 I1060 I1061 W1095 | P767-L971 HydrophobicContact CB-CD1 4.4Å; N965-L971 HydrophobicContact CB-CD1 4.09Å; N965-L971 VanDerWaalsContact CG-CD1 3.49Å; N965-L971 VanDerWaalsContact OD1-CD1 3.3Å; N965-L971 WeakPolarHBondContact OD1-CD1 3.27Å; I969-L971 HydrophobicContact CD1-CD2 4.28Å; I969-L971 HydrophobicContact CG1-CD2 4.16Å; L971-F973 HydrophobicContact CB-CD2 4.4Å; L971-F973 HydrophobicContact CB-CE2 3.48Å; L971-F973 VanDerWaalsContact CB-CE2 3.48Å; L971-F973 HydrophobicContact CB-CZ 3.73Å; L971-F973 HydrophobicContact CD1-CE2 4.23Å; L971-F973 HydrophobicContact CD1-CZ 4.06Å; L971-F973 HydrophobicContact CG-CE2 4.49Å; L971-F973 HydrophobicContact CG-CZ 4.43Å; L971-I1060 CarbonylContact O-C 3.33Å; L971-I1060 VanDerWaalsContact O-CA 3.31Å; L971-I1060 WeakPolarHBondContact O-CA 3.37Å; L971-I1061 HydrophobicContact CB-CB 4.41Å; L971-I1061 PolarHBondContact N-O 3.43Å; L971-I1061 VanDerWaalsContact N-O 3.08Å; L971-I1061 PolarHBondContact O-N 2.81Å; L971-W1095 HydrophobicContact CD2-CZ2 3.8Å |
| 972 | V | 78.5 | Confident | 79.2 | Confident | 7 Ų | 7 | 25.2 Ų | 25.2 | 4% | 0.042 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 113.4 | 179.7 | -175.7 | 0 | 0 | 0 | 0 | 109.6 | E1058 I1060 W1095 S1096 | V972-E1058 HydrophobicContact CG1-CG 4.4Å; V972-I1060 HydrophobicContact CG1-CG1 4.29Å; V972-I1060 HydrophobicContact CG2-CG1 4.28Å; V972-I1060 HydrophobicContact CG2-CG2 4.35Å; V972-W1095 VanDerWaalsContact O-CD1 3.27Å; V972-S1096 WeakPolarHBondContact CB-O 3.5Å; V972-S1096 PolarHBondContact N-O 3.1Å; V972-S1096 PolarHBondContact O-N 3.13Å; V972-S1096 VanDerWaalsContact O-N 3.1Å; V972-S1096 VanDerWaalsContact O-O 3.05Å |
| 973 | F | 82.5 | Confident | 79.3 | Confident | 4 Ų | 4 | 25.8 Ų | 25.8 | 2% | 0.018 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 129.8 | 176 | -56.9 | -76.4 | 0 | 0 | 0 | 110 | P767 L971 V976 E1058 F1059 I1061 F1093 E1094 W1095 | P767-F973 HydrophobicContact CB-CZ 4.46Å; P767-F973 HydrophobicContact CG-CE2 3.99Å; P767-F973 HydrophobicContact CG-CZ 3.89Å; L971-F973 HydrophobicContact CB-CD2 4.4Å; L971-F973 HydrophobicContact CB-CE2 3.48Å; L971-F973 VanDerWaalsContact CB-CE2 3.48Å; L971-F973 HydrophobicContact CB-CZ 3.73Å; L971-F973 HydrophobicContact CD1-CE2 4.23Å; L971-F973 HydrophobicContact CD1-CZ 4.06Å; L971-F973 HydrophobicContact CG-CE2 4.49Å; L971-F973 HydrophobicContact CG-CZ 4.43Å; F973-V976 HydrophobicContact CB-CG2 3.58Å; F973-E1058 CarbonylContact O-C 3.59Å; F973-E1058 WeakPolarHBondContact O-CA 2.81Å; F973-F1059 HydrophobicContact CB-CB 4.43Å; F973-F1059 HydrophobicContact CD2-CD1 4.28Å; F973-F1059 PolarHBondContact N-O 3.32Å; F973-F1059 PolarHBondContact O-N 2.63Å; F973-I1061 HydrophobicContact CD2-CD1 4.44Å; F973-I1061 HydrophobicContact CE2-CD1 3.87Å; F973-I1061 HydrophobicContact CE2-CG1 4.21Å; F973-F1093 HydrophobicContact CB-CB 4.36Å; F973-F1093 HydrophobicContact CD1-CB 4.33Å; F973-F1093 AromaticContact CD1-CD2 3.42Å; F973-F1093 HydrophobicContact CD1-CD2 3.42Å; F973-F1093 VanDerWaalsContact CD1-CD2 3.42Å; F973-F1093 AromaticContact CD1-CE2 3.74Å; F973-F1093 HydrophobicContact CD1-CE2 3.74Å; F973-F1093 AromaticContact CD1-CG 3.84Å; F973-F1093 HydrophobicContact CD1-CG 3.84Å; F973-F1093 HydrophobicContact CD1-CZ 4.41Å; F973-F1093 AromaticContact CE1-CD2 3.89Å; F973-F1093 HydrophobicContact CE1-CD2 3.89Å; F973-F1093 AromaticContact CE1-CE2 3.67Å; F973-F1093 HydrophobicContact CE1-CE2 3.67Å; F973-F1093 HydrophobicContact CE1-CZ 4.15Å; F973-E1094 CarbonylContact C-O 3.53Å; F973-E1094 WeakPolarHBondContact CA-O 3.37Å; F973-W1095 HydrophobicContact CD1-CB 4.04Å; F973-W1095 AromaticContact CD1-CD1 3.59Å; F973-W1095 HydrophobicContact CD1-CG 4.09Å; F973-W1095 HydrophobicContact CE1-CB 4.06Å; F973-W1095 AromaticContact CE1-CD1 3.26Å; F973-W1095 AromaticContact CE1-CG 3.75Å; F973-W1095 HydrophobicContact CE1-CG 3.75Å; F973-W1095 AromaticContact CE1-NE1 3.93Å; F973-W1095 AromaticContact CZ-CD1 3.83Å |
| 974 | T | 79.9 | Confident | 79 | Confident | 25 Ų | 25 | 27 Ų | 27 | 15% | 0.153 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 158 | 173.3 | 55.4 | 0 | 0 | 0 | 0 | 110.9 | V976 N1057 E1094 | T974-V976 VanDerWaalsContact C-N 3.28Å; T974-V976 PolarHBondContact O-N 3.21Å; T974-N1057 WeakPolarHBondContact CA-O 3.46Å; T974-N1057 VanDerWaalsContact CB-O 3.27Å; T974-N1057 WeakPolarHBondContact CB-O 3.43Å; T974-E1094 PolarHBondContact N-O 3.3Å; T974-E1094 PolarHBondContact O-N 2.84Å; T974-E1094 WeakPolarHBondContact OG1-CB 3.2Å; T974-E1094 PolarHBondContact OG1-O 3.48Å |
| 975 | N | 80.7 | Confident | 78.6 | Confident | 64 Ų | 64 | 27.7 Ų | 27.7 | 34% | 0.342 | 14% | 0.144 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 53.2 | 40.9 | 177 | -63.6 | -35.7 | 0 | 0 | 0 | 114.2 | H977 I1056 N1057 E1094 | N975-H977 PolarHBondContact O-N 2.87Å; N975-H977 PolarHBondContact O-ND1 3.25Å; N975-I1056 CarbonylContact C-O 3.57Å; N975-I1056 PolarHBondContact N-O 3.43Å; N975-N1057 PolarHBondContact N-O 3.2Å; N975-N1057 VanDerWaalsContact N-O 3.13Å; N975-E1094 PolarHBondContact ND2-OE2 2.98Å |
| 976 | V | 84.1 | Confident | 77.3 | Confident | 4 Ų | 4 | 32.2 Ų | 32.2 | 2% | 0.024 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 122.9 | -176.4 | -170.3 | 0 | 0 | 0 | 0 | 110.2 | F973 T974 I1056 F1059 L1074 L1076 A1092 F1093 | F973-V976 HydrophobicContact CB-CG2 3.58Å; T974-V976 VanDerWaalsContact C-N 3.28Å; T974-V976 PolarHBondContact O-N 3.21Å; V976-I1056 HydrophobicContact CB-CB 4.32Å; V976-I1056 PolarHBondContact N-O 3.38Å; V976-I1056 PolarHBondContact O-N 2.85Å; V976-F1059 HydrophobicContact CG2-CB 4.11Å; V976-L1074 HydrophobicContact CG1-CD1 4.43Å; V976-L1074 HydrophobicContact CG1-CD2 3.78Å; V976-L1076 HydrophobicContact CG1-CD1 4.25Å; V976-A1092 WeakPolarHBondContact CA-O 3.28Å; V976-F1093 HydrophobicContact CG2-CB 4.01Å |
| 977 | H | 84.4 | Confident | 76 | Confident | 47 Ų | 47 | 35.2 Ų | 35.2 | 22% | 0.218 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 159.5 | 179.1 | 60.5 | -79.5 | 0 | 0 | 0 | 111.8 | N975 I1055 A1092 | N975-H977 PolarHBondContact O-N 2.87Å; N975-H977 PolarHBondContact O-ND1 3.25Å; H977-I1055 HydrophobicContact CB-CG1 4.19Å; H977-A1092 PolarHBondContact N-O 2.66Å; H977-A1092 PolarHBondContact O-N 3.16Å |
| 978 | L | 87.7 | Confident | 74.4 | Confident | 5 Ų | 5 | 43 Ų | 43 | 3% | 0.026 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 138.7 | 176.9 | -74 | 164.5 | 0 | 0 | 0 | 110.6 | V959 I961 N1029 L1076 I1078 I1088 L1091 F1187 | V959-L978 HydrophobicContact CB-CD1 3.98Å; V959-L978 HydrophobicContact CB-CD2 4.17Å; V959-L978 HydrophobicContact CG1-CD2 4.38Å; V959-L978 HydrophobicContact CG2-CD1 3.65Å; V959-L978 HydrophobicContact CG2-CD2 4.23Å; I961-L978 HydrophobicContact CD1-CD2 4.05Å; L978-N1029 PolarHBondContact O-ND2 3.32Å; L978-L1076 HydrophobicContact CD1-CB 3.65Å; L978-L1076 HydrophobicContact CD2-CD1 4.43Å; L978-L1076 HydrophobicContact CG-CB 3.81Å; L978-L1076 HydrophobicContact CG-CD1 3.93Å; L978-I1078 HydrophobicContact CB-CG2 4.38Å; L978-I1078 HydrophobicContact CD1-CG2 3.91Å; L978-I1088 HydrophobicContact CD2-CG2 4.21Å; L978-L1091 HydrophobicContact CD2-CD2 3.75Å; L978-L1091 HydrophobicContact CG-CD2 4.37Å; L978-F1187 HydrophobicContact CD2-CE2 4.39Å; L978-F1187 HydrophobicContact CD2-CZ 4.31Å |
| 979 | L | 85.9 | Confident | 72.7 | Confident | 2 Ų | 2 | 42.2 Ų | 42.2 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 134.7 | 167.4 | -64.8 | 177.7 | 0 | 0 | 0 | 109.9 | N1029 E1030 T1089 G1090 A1092 K1184 | L979-N1029 WeakPolarHBondContact CA-OD1 3.4Å; L979-E1030 HydrophobicContact CD2-CG 4.12Å; L979-T1089 WeakPolarHBondContact CB-OG1 3.45Å; L979-T1089 PolarHBondContact O-N 2.63Å; L979-T1089 PolarHBondContact O-OG1 2.79Å; L979-G1090 PolarHBondContact N-O 2.75Å; L979-G1090 PolarHBondContact O-N 2.81Å; L979-A1092 HydrophobicContact CD1-CB 4.06Å; L979-A1092 HydrophobicContact CD2-CB 3.63Å; L979-A1092 HydrophobicContact CG-CB 3.8Å; L979-K1184 HydrophobicContact CD1-CB 3.96Å; L979-K1184 HydrophobicContact CD1-CD 4.18Å |
| 980 | W | 87.7 | Confident | 70.5 | Confident | 9 Ų | 9 | 51 Ų | 51 | 3% | 0.034 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 155 | -177.2 | 53.9 | -97.4 | 0 | 0 | 0 | 112.6 | F982 I1027 N1029 I1047 V1051 I1086 T1087 | W980-F982 HydrophobicContact CE3-CB 3.87Å; W980-F982 HydrophobicContact CZ3-CB 3.65Å; W980-I1027 HydrophobicContact CH2-CG2 4.45Å; W980-I1027 HydrophobicContact CZ3-CG2 4.27Å; W980-N1029 HydrophobicContact CD2-CB 4.37Å; W980-N1029 HydrophobicContact CH2-CB 4.33Å; W980-N1029 HydrophobicContact CZ2-CB 3.8Å; W980-N1029 PolarHBondContact N-OD1 2.82Å; W980-N1029 PolarHBondContact NE1-ND2 2.46Å; W980-N1029 PolarHBondContact O-N 2.8Å; W980-N1029 PolarHBondContact O-OD1 3.27Å; W980-I1047 HydrophobicContact CH2-CG2 3.59Å; W980-I1047 HydrophobicContact CZ2-CG2 4.03Å; W980-V1051 HydrophobicContact CD2-CG1 4.23Å; W980-V1051 HydrophobicContact CE3-CB 4.46Å; W980-V1051 HydrophobicContact CE3-CG2 4.44Å; W980-V1051 HydrophobicContact CH2-CB 3.58Å; W980-V1051 HydrophobicContact CH2-CG1 4.22Å; W980-V1051 HydrophobicContact CH2-CG2 4.1Å; W980-V1051 HydrophobicContact CZ2-CB 3.62Å; W980-V1051 HydrophobicContact CZ2-CG1 3.81Å; W980-V1051 HydrophobicContact CZ3-CB 4.02Å; W980-V1051 HydrophobicContact CZ3-CG2 4.06Å; W980-I1086 HydrophobicContact CB-CG2 4.32Å; W980-T1087 CarbonylContact C-O 3.56Å; W980-T1087 WeakPolarHBondContact CA-O 3.42Å; W980-T1087 WeakPolarHBondContact CB-O 3.44Å |
| 981 | I | 85.7 | Confident | 68.2 | Low | 45 Ų | 45 | 52.4 Ų | 52.4 | 23% | 0.231 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 125.3 | 172 | -57.2 | 171.3 | 0 | 0 | 0 | 107.3 | N983 I1027 T1028 I1086 T1087 T1089 | I981-N983 WeakPolarHBondContact CG2-OD1 3.23Å; I981-I1027 CarbonylContact C-O 3.48Å; I981-I1027 WeakPolarHBondContact CA-O 3.42Å; I981-T1028 HydrophobicContact CB-CG2 4.14Å; I981-T1028 HydrophobicContact CD1-CG2 4.47Å; I981-T1028 HydrophobicContact CG1-CG2 3.7Å; I981-T1028 HydrophobicContact CG2-CG2 3.98Å; I981-I1086 CarbonylContact O-C 3.58Å; I981-I1086 WeakPolarHBondContact O-CA 3.33Å; I981-T1087 WeakPolarHBondContact CB-OG1 3.35Å; I981-T1087 PolarHBondContact N-O 3.44Å; I981-T1087 PolarHBondContact O-N 3.36Å; I981-T1087 PolarHBondContact O-OG1 2.98Å; I981-T1089 HydrophobicContact CD1-CG2 3.63Å; I981-T1089 HydrophobicContact CG1-CG2 3.77Å |
| 982 | F | 85.4 | Confident | 65.7 | Low | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 126.5 | 178.2 | 176.3 | -113.3 | 0 | 0 | 0 | 110.5 | W980 L984 I1027 F1050 V1051 Q1082 Q1085 I1086 I1209 | W980-F982 HydrophobicContact CE3-CB 3.87Å; W980-F982 HydrophobicContact CZ3-CB 3.65Å; F982-L984 HydrophobicContact CE1-CB 4.32Å; F982-L984 HydrophobicContact CE1-CD1 3.92Å; F982-L984 HydrophobicContact CZ-CD1 4.1Å; F982-I1027 HydrophobicContact CB-CB 4.46Å; F982-I1027 HydrophobicContact CD1-CB 4.45Å; F982-I1027 HydrophobicContact CD1-CD1 4.2Å; F982-I1027 PolarHBondContact N-O 3.44Å; F982-I1027 PolarHBondContact O-N 3.44Å; F982-F1050 HydrophobicContact CD1-CB 3.96Å; F982-F1050 HydrophobicContact CD1-CD1 4.41Å; F982-F1050 HydrophobicContact CD1-CG 4.49Å; F982-F1050 HydrophobicContact CE1-CB 3.99Å; F982-F1050 AromaticContact CE1-CD1 3.93Å; F982-F1050 HydrophobicContact CE1-CD1 3.93Å; F982-F1050 HydrophobicContact CE1-CG 4.37Å; F982-V1051 HydrophobicContact CB-CG2 4.07Å; F982-V1051 HydrophobicContact CD1-CG2 4.34Å; F982-V1051 HydrophobicContact CD2-CG2 4.11Å; F982-V1051 HydrophobicContact CG-CG2 3.9Å; F982-Q1082 HydrophobicContact CZ-CB 4.25Å; F982-Q1085 CarbonylContact C-O 3.51Å; F982-Q1085 VanDerWaalsContact CA-O 3.3Å; F982-Q1085 WeakPolarHBondContact CA-O 2.97Å; F982-Q1085 WeakPolarHBondContact CD2-O 3.39Å; F982-I1086 HydrophobicContact CB-CG1 4.36Å; F982-I1086 HydrophobicContact CD2-CD1 4.25Å; F982-I1086 HydrophobicContact CD2-CG1 3.46Å; F982-I1086 VanDerWaalsContact CD2-CG1 3.46Å; F982-I1086 HydrophobicContact CE2-CG1 4.22Å; F982-I1086 HydrophobicContact CG-CG1 4.33Å; F982-I1209 HydrophobicContact CD2-CD1 4.06Å; F982-I1209 HydrophobicContact CE2-CD1 3.43Å; F982-I1209 VanDerWaalsContact CE2-CD1 3.43Å; F982-I1209 HydrophobicContact CZ-CD1 4.42Å |
| 983 | N | 82.4 | Confident | 63 | Low | 23 Ų | 23 | 63 Ų | 63 | 12% | 0.123 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 116.3 | 178.2 | -53.3 | -14.5 | 0 | 0 | 0 | 108.2 | I981 H1026 G1084 Q1085 | I981-N983 WeakPolarHBondContact CG2-OD1 3.23Å; N983-H1026 VanDerWaalsContact CG-CE1 3.42Å; N983-H1026 PolarHBondContact ND2-CE1 3.43Å; N983-H1026 PolarHBondContact OD1-CE1 2.95Å; N983-H1026 PolarHBondContact OD1-ND1 2.87Å; N983-G1084 CarbonylContact O-C 3.55Å; N983-G1084 WeakPolarHBondContact O-CA 3.38Å; N983-Q1085 HydrophobicContact CB-CB 4.35Å; N983-Q1085 PolarHBondContact N-O 2.77Å; N983-Q1085 PolarHBondContact O-N 2.78Å |
| 984 | L | 77 | Confident | 60.2 | Low | 31 Ų | 31 | 67.6 Ų | 67.6 | 16% | 0.162 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 131.7 | -180 | -171.9 | 69.4 | 0 | 0 | 0 | 110.6 | F982 F1024 I1025 F1050 Q1082 | F982-L984 HydrophobicContact CE1-CB 4.32Å; F982-L984 HydrophobicContact CE1-CD1 3.92Å; F982-L984 HydrophobicContact CZ-CD1 4.1Å; L984-F1024 WeakPolarHBondContact O-CD1 3.1Å; L984-I1025 HydrophobicContact CB-CB 4.38Å; L984-I1025 HydrophobicContact CD2-CD1 4.32Å; L984-I1025 PolarHBondContact N-O 2.83Å; L984-I1025 VanDerWaalsContact N-O 3.15Å; L984-F1050 HydrophobicContact CD2-CE1 4.46Å; L984-Q1082 HydrophobicContact CD1-CB 4.23Å; L984-Q1082 VanDerWaalsContact CD1-OE1 3.24Å |
| 985 | T | 67.8 | Low | 57.5 | Low | 64 Ų | 64 | 73.6 Ų | 73.6 | 39% | 0.393 | 43% | 0.428 | S | S | . | . | trans | -84.9 | 120.7 | 171.5 | 46.8 | 0 | 0 | 0 | 0 | 110 | S987 L1083 | T985-S987 PolarHBondContact O-N 2.72Å; T985-L1083 PolarHBondContact OG1-O 2.86Å | ||
| 986 | N | 50.5 | Low | 54.9 | Low | 98 Ų | 98 | 75 Ų | 75 | 52% | 0.524 | 44% | 0.438 | S | S | . | . | trans | -61.2 | 94.8 | 178 | -76.4 | -19.4 | 0 | 0 | 0 | 111.6 | ||||
| 987 | S | 41 | Very low | 52 | Low | 95 Ų | 95 | 81.5 Ų | 81.5 | 66% | 0.664 | 47% | 0.473 | S | S | * | . | trans | -90 | 111.8 | 162.8 | 58.7 | 0 | 0 | 0 | 0 | 108.7 | T985 T989 | T985-S987 PolarHBondContact O-N 2.72Å; S987-T989 PolarHBondContact O-N 3.32Å | ||
| 988 | I | 33.3 | Very low | 49.1 | Very low | 166 Ų | 166 | 85.1 Ų | 85.1 | 85% | 0.851 | 50% | 0.499 | S | S | * | . | trans | -59.7 | 99.2 | 171.6 | -60.1 | 162.8 | 0 | 0 | 0 | 108.6 | ||||
| 989 | T | 31.6 | Very low | 46.2 | Very low | 115 Ų | 115 | 92.8 Ų | 92.8 | 71% | 0.706 | 54% | 0.536 | S | S | * | . | trans | -150.8 | 118.1 | 152.4 | 47.2 | 0 | 0 | 0 | 0 | 108.7 | S987 S991 | S987-T989 PolarHBondContact O-N 3.32Å; T989-S991 PolarHBondContact O-N 3.48Å; T989-S991 VanDerWaalsContact O-N 3.13Å | ||
| 990 | E | 25.3 | Very low | 43.2 | Very low | 195 Ų | 195 | 99.4 Ų | 99.4 | 91% | 0.911 | 57% | 0.572 | S | S | * | * | trans | -47.7 | 107.9 | 169.2 | -62.2 | 164.3 | 154.5 | 0 | 0 | 111.1 | ||||
| 991 | S | 24.6 | Very low | 40.2 | Very low | 101 Ų | 101 | 104.8 Ų | 104.8 | 71% | 0.706 | 61% | 0.611 | S | S | * | * | trans | 172.9 | 130 | 146 | 38.6 | 0 | 0 | 0 | 0 | 108.9 | T989 | T989-S991 PolarHBondContact O-N 3.48Å; T989-S991 VanDerWaalsContact O-N 3.13Å | ||
| 992 | S | 24.5 | Very low | 37.1 | Very low | 112 Ų | 112 | 110.5 Ų | 110.5 | 78% | 0.783 | 64% | 0.642 | S | S | * | * | trans | 91.5 | 88.1 | 174.8 | -31.3 | 0 | 0 | 0 | 0 | 114.5 | C994 | S992-C994 PolarHBondContact O-N 2.78Š| ||
| 993 | S | 21.8 | Very low | 34.3 | Very low | 119 Ų | 119 | 116.9 Ų | 116.9 | 83% | 0.832 | 68% | 0.68 | S | S | * | * | trans | -53.1 | 110.5 | 161.9 | 50.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 994 | C | 22.7 | Very low | 31.5 | Very low | 99 Ų | 99 | 122.5 Ų | 122.5 | 67% | 0.669 | 71% | 0.711 | S | S | * | * | trans | -117.3 | 98.5 | 160.7 | 49.1 | 0 | 0 | 0 | 0 | 108.3 | S992 V996 | S992-C994 PolarHBondContact O-N 2.78Å; C994-V996 PolarHBondContact O-N 2.92Å | ||
| 995 | I | 23.4 | Very low | 29.1 | Very low | 151 Ų | 151 | 128.4 Ų | 128.4 | 77% | 0.774 | 74% | 0.743 | S | S | * | * | trans | -73.7 | 101.1 | 172.5 | -60.7 | 169.3 | 0 | 0 | 0 | 106.3 | ||||
| 996 | V | 25.2 | Very low | 27 | Very low | 93 Ų | 93 | 131.8 Ų | 131.8 | 56% | 0.564 | 76% | 0.758 | S | S | * | * | trans | -93.3 | 111.1 | 165.8 | 177.2 | 0 | 0 | 0 | 0 | 106.3 | C994 T998 | C994-V996 PolarHBondContact O-N 2.92Å; V996-T998 PolarHBondContact O-N 2.83Å | ||
| 997 | N | 23.8 | Very low | 25.9 | Very low | 141 Ų | 141 | 133.6 Ų | 133.6 | 75% | 0.754 | 77% | 0.768 | S | S | * | * | trans | -61.2 | 96.1 | 173.9 | -69.5 | -20.2 | 0 | 0 | 0 | 109.1 | M999 | N997-M999 PolarHBondContact O-N 2.92Š| ||
| 998 | T | 24.3 | Very low | 25.3 | Very low | 123 Ų | 123 | 135.2 Ų | 135.2 | 76% | 0.755 | 77% | 0.769 | S | S | * | * | trans | -73.2 | 105.2 | 165.4 | 48 | 0 | 0 | 0 | 0 | 107.7 | V996 D1000 | V996-T998 PolarHBondContact O-N 2.83Å; T998-D1000 PolarHBondContact O-N 3.45Å | ||
| 999 | M | 25.3 | Very low | 24.9 | Very low | 166 Ų | 166 | 133.8 Ų | 133.8 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | trans | -55.7 | 119.6 | 170.4 | -79.9 | -75.7 | -175.8 | 0 | 0 | 110.4 | N997 | N997-M999 PolarHBondContact O-N 2.92Š| ||
| 1000 | D | 23.1 | Very low | 24.7 | Very low | 141 Ų | 141 | 134.6 Ų | 134.6 | 75% | 0.754 | 76% | 0.763 | S | S | * | * | trans | 21.2 | 115.4 | 154 | -61 | -28.5 | 0 | 0 | 0 | 119.3 | T998 | T998-D1000 PolarHBondContact O-N 3.45Š| ||
| 1001 | S | 25.3 | Very low | 24.7 | Very low | 122 Ų | 122 | 132.1 Ų | 132.1 | 85% | 0.853 | 76% | 0.756 | S | S | * | * | trans | -136.8 | 75 | 157.5 | -62 | 0 | 0 | 0 | 0 | 108.6 | V1003 | S1001-V1003 PolarHBondContact O-N 3.34Š| ||
| 1002 | N | 21.6 | Very low | 24.7 | Very low | 166 Ų | 166 | 134.4 Ų | 134.4 | 89% | 0.888 | 76% | 0.76 | S | S | * | * | trans | -89.7 | 89.2 | 176.2 | -141.4 | 0.9 | 0 | 0 | 0 | 108.3 | ||||
| 1003 | V | 26.8 | Very low | 24.7 | Very low | 133 Ų | 133 | 135.2 Ų | 135.2 | 81% | 0.806 | 76% | 0.763 | S | S | * | * | trans | -125.5 | 101.9 | 170 | 179.4 | 0 | 0 | 0 | 0 | 109.6 | S1001 | S1001-V1003 PolarHBondContact O-N 3.34Š| ||
| 1004 | N | 23.2 | Very low | 24.7 | Very low | 141 Ų | 141 | 134.3 Ų | 134.3 | 75% | 0.754 | 76% | 0.757 | S | S | * | * | trans | -10.2 | 121.8 | 150.5 | -99.6 | -19 | 0 | 0 | 0 | 115.6 | ||||
| 1005 | N | 26.4 | Very low | 24.7 | Very low | 156 Ų | 156 | 134.4 Ų | 134.4 | 83% | 0.834 | 76% | 0.759 | S | S | * | * | trans | -152.3 | 97.3 | 134.5 | -139.8 | -3.5 | 0 | 0 | 0 | 111.6 | ||||
| 1006 | N | 23.4 | Very low | 24.6 | Very low | 135 Ų | 135 | 136.2 Ų | 136.2 | 72% | 0.722 | 76% | 0.763 | S | S | * | * | trans | -69.3 | 128.4 | 157.9 | -80.5 | -30.6 | 0 | 0 | 0 | 108.3 | ||||
| 1007 | N | 28.1 | Very low | 24.5 | Very low | 136 Ų | 136 | 138.5 Ų | 138.5 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | trans | -172.5 | 114.4 | 136.3 | -95.3 | -25.3 | 0 | 0 | 0 | 112.4 | ||||
| 1008 | N | 26.8 | Very low | 24.5 | Very low | 129 Ų | 129 | 139.7 Ų | 139.7 | 69% | 0.69 | 77% | 0.773 | S | S | * | * | 56.6 | 111.3 | 129.8 | -67.6 | -16.1 | 0 | 0 | 0 | 121 | |||||
| 1009 | N | 25.5 | Very low | 24.6 | Very low | 135 Ų | 135 | 140.5 Ų | 140.5 | 72% | 0.722 | 77% | 0.772 | S | S | * | * | 67.2 | 132.2 | 119.1 | -68.1 | -12.4 | 0 | 0 | 0 | 121 | |||||
| 1010 | N | 27.8 | Very low | 24.9 | Very low | 132 Ų | 132 | 139 Ų | 139 | 71% | 0.706 | 77% | 0.766 | S | S | * | * | trans | 90.7 | 100.4 | 148.5 | -62.7 | -15.3 | 0 | 0 | 0 | 118.1 | ||||
| 1011 | N | 25.7 | Very low | 25.2 | Very low | 143 Ų | 143 | 138.6 Ų | 138.6 | 77% | 0.765 | 77% | 0.765 | S | S | * | * | 43.6 | 93.4 | 119.7 | -60.4 | -12.1 | 0 | 0 | 0 | 116.5 | |||||
| 1012 | N | 23.8 | Very low | 25.7 | Very low | 149 Ų | 149 | 137.7 Ų | 137.7 | 80% | 0.797 | 75% | 0.75 | S | S | * | * | trans | -164.7 | 115.1 | 132.9 | -93.6 | -28.1 | 0 | 0 | 0 | 110.2 | S1014 | N1012-S1014 PolarHBondContact O-N 3.46Š| ||
| 1013 | P | 24.8 | Very low | 26.5 | Very low | 130 Ų | 130 | 138 Ų | 138 | 84% | 0.844 | 75% | 0.746 | S | S | * | * | trans | -86.7 | 84.9 | 174.7 | 33.9 | -27.5 | 0 | 0 | 0 | 108.3 | ||||
| 1014 | S | 21.9 | Very low | 27.4 | Very low | 100 Ų | 100 | 136.3 Ų | 136.3 | 70% | 0.699 | 73% | 0.728 | S | S | * | * | trans | -173.9 | 69.2 | 169.1 | 35.9 | 0 | 0 | 0 | 0 | 111.4 | N1012 | N1012-S1014 PolarHBondContact O-N 3.46Š| ||
| 1015 | S | 21.9 | Very low | 29.2 | Very low | 101 Ų | 101 | 133.1 Ų | 133.1 | 71% | 0.706 | 71% | 0.71 | S | S | * | * | trans | -172 | 120.1 | 144.7 | 34.5 | 0 | 0 | 0 | 0 | 107.6 | N1017 | S1015-N1017 PolarHBondContact O-N 2.88Š| ||
| 1016 | H | 23 | Very low | 31.1 | Very low | 188 Ų | 188 | 131.3 Ų | 131.3 | 87% | 0.87 | 70% | 0.697 | S | S | * | * | trans | -59.9 | 84.9 | 167 | -83.7 | -77.7 | 0 | 0 | 0 | 109.2 | H1018 | H1016-H1018 VanDerWaalsContact C-N 3.33Å; H1016-H1018 PolarHBondContact O-N 2.96Å | ||
| 1017 | N | 22.5 | Very low | 33.7 | Very low | 142 Ų | 142 | 125.8 Ų | 125.8 | 76% | 0.759 | 67% | 0.667 | S | S | * | * | trans | -77.9 | 95.1 | 158.7 | -83.2 | -16.7 | 0 | 0 | 0 | 106.6 | S1015 I1019 | S1015-N1017 PolarHBondContact O-N 2.88Å; N1017-I1019 VanDerWaalsContact C-N 3.34Å; N1017-I1019 PolarHBondContact O-N 3.01Å | ||
| 1018 | H | 23.3 | Very low | 35.9 | Very low | 165 Ų | 165 | 120.6 Ų | 120.6 | 76% | 0.764 | 64% | 0.64 | S | S | * | * | trans | -51.2 | 103.9 | 159.5 | -97.6 | -74.5 | 0 | 0 | 0 | 107.8 | H1016 N1020 | H1016-H1018 VanDerWaalsContact C-N 3.33Å; H1016-H1018 PolarHBondContact O-N 2.96Å; H1018-N1020 PolarHBondContact O-N 3.44Å | ||
| 1019 | I | 26.9 | Very low | 38.2 | Very low | 141 Ų | 141 | 114.9 Ų | 114.9 | 72% | 0.723 | 61% | 0.61 | S | S | * | * | trans | -57.7 | 107.9 | 157.5 | -68.3 | 165.5 | 0 | 0 | 0 | 104.5 | N1017 N1021 | N1017-I1019 VanDerWaalsContact C-N 3.34Å; N1017-I1019 PolarHBondContact O-N 3.01Å; I1019-N1021 PolarHBondContact O-N 3.38Å | ||
| 1020 | N | 30.6 | Very low | 40.2 | Very low | 133 Ų | 133 | 111.4 Ų | 111.4 | 71% | 0.711 | 59% | 0.589 | S | S | * | * | trans | -62.7 | 100.5 | 175.5 | -91 | -10.9 | 0 | 0 | 0 | 108 | H1018 D1022 | H1018-N1020 PolarHBondContact O-N 3.44Å; N1020-D1022 PolarHBondContact O-N 3.34Å | ||
| 1021 | N | 30.9 | Very low | 41.3 | Very low | 134 Ų | 134 | 108.8 Ų | 108.8 | 72% | 0.717 | 57% | 0.574 | S | S | * | * | trans | -70.6 | 30.4 | 170.8 | -81.7 | -13.9 | 0 | 0 | 0 | 113 | I1019 Q1023 | I1019-N1021 PolarHBondContact O-N 3.38Å; N1021-Q1023 VanDerWaalsContact C-N 3.33Å; N1021-Q1023 PolarHBondContact O-N 3.2Å | ||
| 1022 | D | 34.8 | Very low | 42.2 | Very low | 102 Ų | 102 | 104.7 Ų | 104.7 | 55% | 0.545 | 55% | 0.552 | S | S | . | * | trans | -95 | 57.2 | -178.9 | -74.9 | -12.5 | 0 | 0 | 0 | 110.4 | N1020 F1024 | N1020-D1022 PolarHBondContact O-N 3.34Å; D1022-F1024 VanDerWaalsContact C-N 3.32Å; D1022-F1024 HydrophobicContact CB-CD2 4.18Å; D1022-F1024 HydrophobicContact CB-CE2 3.73Å; D1022-F1024 HydrophobicContact CB-CZ 4.44Å; D1022-F1024 PolarHBondContact O-N 3.17Å; D1022-F1024 VanDerWaalsContact O-N 3.08Å | ||
| 1023 | Q | 39.2 | Very low | 43 | Very low | 173 Ų | 173 | 99.5 Ų | 99.5 | 81% | 0.808 | 53% | 0.527 | S | S | * | . | trans | -73.8 | 92.3 | 160.5 | -103 | -177.6 | -17.4 | 0 | 0 | 107.7 | N1021 | N1021-Q1023 VanDerWaalsContact C-N 3.33Å; N1021-Q1023 PolarHBondContact O-N 3.2Å | ||
| 1024 | F | 44.7 | Very low | 43.3 | Very low | 97 Ų | 97 | 98.4 Ų | 98.4 | 43% | 0.425 | 51% | 0.511 | S | S | . | . | trans | -71.5 | 127 | 168.7 | -69.9 | -83.5 | 0 | 0 | 0 | 109.4 | L984 D1022 H1026 | L984-F1024 WeakPolarHBondContact O-CD1 3.1Å; D1022-F1024 VanDerWaalsContact C-N 3.32Å; D1022-F1024 HydrophobicContact CB-CD2 4.18Å; D1022-F1024 HydrophobicContact CB-CE2 3.73Å; D1022-F1024 HydrophobicContact CB-CZ 4.44Å; D1022-F1024 PolarHBondContact O-N 3.17Å; D1022-F1024 VanDerWaalsContact O-N 3.08Å; F1024-H1026 PolarHBondContact O-N 3.38Å | ||
| 1025 | I | 60.9 | Low | 43.6 | Very low | 74 Ų | 74 | 97.8 Ų | 97.8 | 38% | 0.379 | 51% | 0.507 | S | S | . | . | trans | -75.7 | 113.7 | 170.6 | -55.9 | 175.5 | 0 | 0 | 0 | 107.5 | L984 I1027 | L984-I1025 HydrophobicContact CB-CB 4.38Å; L984-I1025 HydrophobicContact CD2-CD1 4.32Å; L984-I1025 PolarHBondContact N-O 2.83Å; L984-I1025 VanDerWaalsContact N-O 3.15Å; I1025-I1027 HydrophobicContact CG2-CD1 4.37Å; I1025-I1027 HydrophobicContact CG2-CG1 3.99Å | ||
| 1026 | H | 67.9 | Low | 44.1 | Very low | 118 Ų | 118 | 99.8 Ų | 99.8 | 55% | 0.546 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 111.3 | 175.5 | -77.4 | -78.9 | 0 | 0 | 0 | 110.1 | N983 F1024 | N983-H1026 VanDerWaalsContact CG-CE1 3.42Å; N983-H1026 PolarHBondContact ND2-CE1 3.43Å; N983-H1026 PolarHBondContact OD1-CE1 2.95Å; N983-H1026 PolarHBondContact OD1-ND1 2.87Å; F1024-H1026 PolarHBondContact O-N 3.38Å |
| 1027 | I | 76.1 | Confident | 44.5 | Very low | 20 Ų | 20 | 101.6 Ų | 101.6 | 10% | 0.103 | 51% | 0.509 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 126.9 | 177.7 | -58.2 | 174.3 | 0 | 0 | 0 | 107.8 | W980 I981 F982 I1025 I1047 F1050 | W980-I1027 HydrophobicContact CH2-CG2 4.45Å; W980-I1027 HydrophobicContact CZ3-CG2 4.27Å; I981-I1027 CarbonylContact C-O 3.48Å; I981-I1027 WeakPolarHBondContact CA-O 3.42Å; F982-I1027 HydrophobicContact CB-CB 4.46Å; F982-I1027 HydrophobicContact CD1-CB 4.45Å; F982-I1027 HydrophobicContact CD1-CD1 4.2Å; F982-I1027 PolarHBondContact N-O 3.44Å; F982-I1027 PolarHBondContact O-N 3.44Å; I1025-I1027 HydrophobicContact CG2-CD1 4.37Å; I1025-I1027 HydrophobicContact CG2-CG1 3.99Å; I1027-I1047 HydrophobicContact CG2-CG1 4.39Å; I1027-I1047 HydrophobicContact CG2-CG2 4.28Å; I1027-F1050 HydrophobicContact CD1-CB 4.23Å; I1027-F1050 HydrophobicContact CD1-CD1 3.52Å; I1027-F1050 HydrophobicContact CD1-CD2 3.52Å; I1027-F1050 HydrophobicContact CD1-CE1 3.63Å; I1027-F1050 HydrophobicContact CD1-CE2 3.62Å; I1027-F1050 HydrophobicContact CD1-CG 3.47Å; I1027-F1050 VanDerWaalsContact CD1-CG 3.47Å; I1027-F1050 HydrophobicContact CD1-CZ 3.68Å |
| 1028 | T | 75.3 | Confident | 45 | Very low | 27 Ų | 27 | 99.6 Ų | 99.6 | 17% | 0.166 | 51% | 0.505 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 145.5 | 178.5 | 82.1 | 0 | 0 | 0 | 0 | 109.7 | I981 E1030 | I981-T1028 HydrophobicContact CB-CG2 4.14Å; I981-T1028 HydrophobicContact CD1-CG2 4.47Å; I981-T1028 HydrophobicContact CG1-CG2 3.7Å; I981-T1028 HydrophobicContact CG2-CG2 3.98Å; T1028-E1030 PolarHBondContact OG1-N 2.71Å |
| 1029 | N | 75.8 | Confident | 45.6 | Very low | 9 Ų | 9 | 96 Ų | 96 | 5% | 0.048 | 49% | 0.486 | C | S | . | . | G | 310 helix | trans | -84.8 | 2.4 | 171.4 | 72.8 | -27.7 | 0 | 0 | 0 | 112.9 | L978 L979 W980 I1031 L1032 | L978-N1029 PolarHBondContact O-ND2 3.32Å; L979-N1029 WeakPolarHBondContact CA-OD1 3.4Å; W980-N1029 HydrophobicContact CD2-CB 4.37Å; W980-N1029 HydrophobicContact CH2-CB 4.33Å; W980-N1029 HydrophobicContact CZ2-CB 3.8Å; W980-N1029 PolarHBondContact N-OD1 2.82Å; W980-N1029 PolarHBondContact NE1-ND2 2.46Å; W980-N1029 PolarHBondContact O-N 2.8Å; W980-N1029 PolarHBondContact O-OD1 3.27Å; N1029-I1031 PolarHBondContact O-N 2.78Å; N1029-L1032 HydrophobicContact CB-CD1 4.07Å; N1029-L1032 WeakPolarHBondContact O-CB 3.25Å; N1029-L1032 PolarHBondContact O-N 2.56Å |
| 1030 | E | 66.7 | Low | 46.4 | Very low | 61 Ų | 61 | 91.8 Ų | 91.8 | 29% | 0.285 | 47% | 0.469 | S | S | . | . | G | 310 helix | trans | -66.9 | -25 | 173.4 | -65.8 | -166 | -173 | 0 | 0 | 111.9 | L979 T1028 L1032 S1033 T1089 K1184 | L979-E1030 HydrophobicContact CD2-CG 4.12Å; T1028-E1030 PolarHBondContact OG1-N 2.71Å; E1030-L1032 PolarHBondContact O-N 2.77Å; E1030-S1033 PolarHBondContact O-OG 3.21Å; E1030-T1089 PolarHBondContact OE1-OG1 2.92Å; E1030-K1184 IonicContact OE2-NZ 2.61Å |
| 1031 | I | 51.1 | Low | 47.3 | Very low | 78 Ų | 78 | 91.9 Ų | 91.9 | 40% | 0.4 | 47% | 0.465 | S | S | . | . | G | 310 helix | trans | -66 | -16.8 | 178.9 | -57.3 | 167.2 | 0 | 0 | 0 | 112 | N1029 S1033 | N1029-I1031 PolarHBondContact O-N 2.78Å; I1031-S1033 PolarHBondContact O-N 3.13Å |
| 1032 | L | 44 | Very low | 48.3 | Very low | 57 Ų | 57 | 90.6 Ų | 90.6 | 30% | 0.298 | 46% | 0.458 | S | S | . | . | G | 310 helix | trans | -73.3 | 17.5 | -177.6 | -71 | 172.1 | 0 | 0 | 0 | 115.8 | N1029 E1030 Y1044 I1047 | N1029-L1032 HydrophobicContact CB-CD1 4.07Å; N1029-L1032 WeakPolarHBondContact O-CB 3.25Å; N1029-L1032 PolarHBondContact O-N 2.56Å; E1030-L1032 PolarHBondContact O-N 2.77Å; L1032-Y1044 HydrophobicContact CD1-CD2 3.73Å; L1032-Y1044 HydrophobicContact CD1-CE2 3.93Å; L1032-Y1044 HydrophobicContact CD2-CD2 3.64Å; L1032-Y1044 HydrophobicContact CD2-CG 4.4Å; L1032-Y1044 HydrophobicContact CG-CD2 4.36Å; L1032-I1047 HydrophobicContact CD2-CD1 4.19Å; L1032-I1047 HydrophobicContact CG-CD1 4.19Å |
| 1033 | S | 40.3 | Very low | 49.3 | Very low | 39 Ų | 39 | 89.4 Ų | 89.4 | 27% | 0.273 | 45% | 0.449 | S | S | . | . | G | 310 helix | trans | -136.2 | 11.9 | -169.8 | 65.8 | 0 | 0 | 0 | 0 | 117.2 | E1030 I1031 S1035 | E1030-S1033 PolarHBondContact O-OG 3.21Å; I1031-S1033 PolarHBondContact O-N 3.13Å; S1033-S1035 PolarHBondContact O-N 3.07Å |
| 1034 | H | 31.8 | Very low | 50.3 | Low | 107 Ų | 107 | 85.2 Ų | 85.2 | 50% | 0.495 | 43% | 0.427 | S | S | . | . | S | Bend | trans | -64.5 | 137.9 | 163.2 | -53.6 | -98.4 | 0 | 0 | 0 | 110.3 | Y1039 | H1034-Y1039 HydrophobicContact CB-CE2 3.59Å; H1034-Y1039 WeakPolarHBondContact CB-OH 2.9Å; H1034-Y1039 AromaticContact CD2-CZ 3.78Å; H1034-Y1039 PolarHBondContact CD2-OH 3Å |
| 1035 | S | 29.3 | Very low | 51.2 | Low | 88 Ų | 88 | 85.6 Ų | 85.6 | 62% | 0.615 | 43% | 0.43 | S | S | * | . | S | Bend | trans | -27.5 | 131.5 | 175.2 | 50.7 | 0 | 0 | 0 | 0 | 116.4 | S1033 | S1033-S1035 PolarHBondContact O-N 3.07Š|
| 1036 | I | 30.8 | Very low | 51.6 | Low | 143 Ų | 143 | 86.3 Ų | 86.3 | 73% | 0.733 | 43% | 0.433 | S | S | * | . | S | Bend | trans | 55.2 | 101.2 | 144.9 | -52 | 172.5 | 0 | 0 | 0 | 115.8 | S1038 | I1036-S1038 VanDerWaalsContact C-N 3.3Å; I1036-S1038 PolarHBondContact O-N 2.93Å |
| 1037 | Y | 32.1 | Very low | 51.8 | Low | 226 Ų | 226 | 81.5 Ų | 81.5 | 89% | 0.886 | 41% | 0.411 | S | S | * | . | S | Bend | trans | 51.1 | 16.7 | 150.8 | -75.2 | -74.1 | 0 | 0 | 0 | 121.2 | ||
| 1038 | S | 32.5 | Very low | 51.7 | Low | 99 Ų | 99 | 82.2 Ų | 82.2 | 69% | 0.692 | 42% | 0.415 | S | S | * | . | trans | -129.6 | 23 | 176.7 | 75.5 | 0 | 0 | 0 | 0 | 115.9 | I1036 | I1036-S1038 VanDerWaalsContact C-N 3.3Å; I1036-S1038 PolarHBondContact O-N 2.93Å | ||
| 1039 | Y | 36 | Very low | 51.7 | Low | 89 Ų | 89 | 86 Ų | 86 | 35% | 0.349 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -84.1 | 121.3 | 156.1 | -75 | -66.2 | 0 | 0 | 0 | 108.3 | H1034 H1041 Q1043 | H1034-Y1039 HydrophobicContact CB-CE2 3.59Å; H1034-Y1039 WeakPolarHBondContact CB-OH 2.9Å; H1034-Y1039 AromaticContact CD2-CZ 3.78Å; H1034-Y1039 PolarHBondContact CD2-OH 3Å; Y1039-H1041 PolarHBondContact O-N 3.1Å; Y1039-Q1043 VanDerWaalsContact CD1-OE1 3.22Å |
| 1040 | S | 44.4 | Very low | 51.9 | Low | 54 Ų | 54 | 87 Ų | 87 | 38% | 0.378 | 43% | 0.434 | S | S | . | . | trans | -51.1 | 130.9 | 167.4 | 55.7 | 0 | 0 | 0 | 0 | 107 | D1042 Q1043 | S1040-D1042 WeakPolarHBondContact CB-OD2 2.9Å; S1040-D1042 PolarHBondContact O-N 3.41Å; S1040-Q1043 PolarHBondContact O-N 2.54Å | ||
| 1041 | H | 48.9 | Very low | 52.6 | Low | 134 Ų | 134 | 84 Ų | 84 | 62% | 0.62 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -42.9 | -31.4 | 168.4 | -167.9 | 66.3 | 0 | 0 | 0 | 110.8 | Y1039 Q1043 Y1044 E1045 | Y1039-H1041 PolarHBondContact O-N 3.1Å; H1041-Q1043 PolarHBondContact O-N 2.93Å; H1041-Y1044 PolarHBondContact O-N 2.84Å; H1041-E1045 WeakPolarHBondContact O-CB 3.37Å; H1041-E1045 WeakPolarHBondContact O-CG 3.27Å; H1041-E1045 PolarHBondContact O-N 2.89Å |
| 1042 | D | 51.9 | Low | 54.1 | Low | 108 Ų | 108 | 81.6 Ų | 81.6 | 58% | 0.578 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -51.6 | -38.4 | 171.9 | -43.6 | -24.5 | 0 | 0 | 0 | 115.3 | S1040 M1046 | S1040-D1042 WeakPolarHBondContact CB-OD2 2.9Å; S1040-D1042 PolarHBondContact O-N 3.41Å; D1042-M1046 WeakPolarHBondContact O-CB 3Å; D1042-M1046 PolarHBondContact O-N 2.87Å |
| 1043 | Q | 55.6 | Low | 55.9 | Low | 76 Ų | 76 | 80.4 Ų | 80.4 | 36% | 0.355 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -72.9 | -39.7 | 179 | -73.9 | -163.1 | 5.4 | 0 | 0 | 112.5 | Y1039 S1040 H1041 M1046 I1047 | Y1039-Q1043 VanDerWaalsContact CD1-OE1 3.22Å; S1040-Q1043 PolarHBondContact O-N 2.54Å; H1041-Q1043 PolarHBondContact O-N 2.93Å; Q1043-M1046 PolarHBondContact O-N 3.03Å; Q1043-I1047 WeakPolarHBondContact O-CG1 3.36Å; Q1043-I1047 PolarHBondContact O-N 2.84Å |
| 1044 | Y | 60.3 | Low | 57.8 | Low | 86 Ų | 86 | 82 Ų | 82 | 34% | 0.337 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -68 | -43.2 | 175.8 | -178.3 | -105 | 0 | 0 | 0 | 110.9 | L1032 H1041 M1046 I1047 N1048 | L1032-Y1044 HydrophobicContact CD1-CD2 3.73Å; L1032-Y1044 HydrophobicContact CD1-CE2 3.93Å; L1032-Y1044 HydrophobicContact CD2-CD2 3.64Å; L1032-Y1044 HydrophobicContact CD2-CG 4.4Å; L1032-Y1044 HydrophobicContact CG-CD2 4.36Å; H1041-Y1044 PolarHBondContact O-N 2.84Å; Y1044-M1046 VanDerWaalsContact C-N 3.3Å; Y1044-M1046 PolarHBondContact O-N 2.83Å; Y1044-I1047 PolarHBondContact O-N 2.88Å; Y1044-N1048 WeakPolarHBondContact CD1-ND2 2.91Å; Y1044-N1048 WeakPolarHBondContact CE1-ND2 3.46Å; Y1044-N1048 VanDerWaalsContact O-CB 3.26Å; Y1044-N1048 WeakPolarHBondContact O-CB 3.47Å; Y1044-N1048 PolarHBondContact O-N 3.4Å; Y1044-N1048 PolarHBondContact OH-ND2 2.75Å |
| 1045 | E | 63.9 | Low | 60.2 | Low | 104 Ų | 104 | 80.7 Ų | 80.7 | 49% | 0.486 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -54.4 | -46.8 | 169.4 | -79.7 | -92 | 137.6 | 0 | 0 | 110.6 | H1041 N1048 Q1049 | H1041-E1045 WeakPolarHBondContact O-CB 3.37Å; H1041-E1045 WeakPolarHBondContact O-CG 3.27Å; H1041-E1045 PolarHBondContact O-N 2.89Å; E1045-N1048 PolarHBondContact O-N 3.22Å; E1045-Q1049 WeakPolarHBondContact O-CG 3.42Å; E1045-Q1049 PolarHBondContact O-N 2.87Å; E1045-Q1049 VanDerWaalsContact O-N 3.14Å |
| 1046 | M | 68.8 | Low | 62.5 | Low | 89 Ų | 89 | 78.6 Ų | 78.6 | 44% | 0.438 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -63.7 | -45.5 | 179.2 | -170.5 | -169.9 | -52.1 | 0 | 0 | 112.3 | D1042 Q1043 Y1044 Q1049 F1050 | D1042-M1046 WeakPolarHBondContact O-CB 3Å; D1042-M1046 PolarHBondContact O-N 2.87Å; Q1043-M1046 PolarHBondContact O-N 3.03Å; Y1044-M1046 VanDerWaalsContact C-N 3.3Å; Y1044-M1046 PolarHBondContact O-N 2.83Å; M1046-Q1049 VanDerWaalsContact O-CB 3.31Å; M1046-Q1049 WeakPolarHBondContact O-CB 3.35Å; M1046-Q1049 PolarHBondContact O-N 2.74Å; M1046-F1050 WeakPolarHBondContact O-CD2 3.18Å; M1046-F1050 WeakPolarHBondContact O-CE2 3.4Å |
| 1047 | I | 72.8 | Confident | 64.7 | Low | 18 Ų | 18 | 77.4 Ų | 77.4 | 9% | 0.092 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -65.4 | -41 | 176.8 | -67 | 171.1 | 0 | 0 | 0 | 110.7 | W980 I1027 L1032 Q1043 Y1044 Q1049 F1050 V1051 | W980-I1047 HydrophobicContact CH2-CG2 3.59Å; W980-I1047 HydrophobicContact CZ2-CG2 4.03Å; I1027-I1047 HydrophobicContact CG2-CG1 4.39Å; I1027-I1047 HydrophobicContact CG2-CG2 4.28Å; L1032-I1047 HydrophobicContact CD2-CD1 4.19Å; L1032-I1047 HydrophobicContact CG-CD1 4.19Å; Q1043-I1047 WeakPolarHBondContact O-CG1 3.36Å; Q1043-I1047 PolarHBondContact O-N 2.84Å; Y1044-I1047 PolarHBondContact O-N 2.88Å; I1047-Q1049 PolarHBondContact O-N 3.37Å; I1047-Q1049 VanDerWaalsContact O-N 3.17Å; I1047-F1050 PolarHBondContact O-N 3.19Å; I1047-V1051 PolarHBondContact O-N 3.49Å |
| 1048 | N | 74.5 | Confident | 67 | Low | 34 Ų | 34 | 70.7 Ų | 70.7 | 18% | 0.182 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -65.3 | -14.1 | 176.7 | -88.3 | -20 | 0 | 0 | 0 | 113.6 | Y1044 E1045 F1050 K1081 | Y1044-N1048 WeakPolarHBondContact CD1-ND2 2.91Å; Y1044-N1048 WeakPolarHBondContact CE1-ND2 3.46Å; Y1044-N1048 VanDerWaalsContact O-CB 3.26Å; Y1044-N1048 WeakPolarHBondContact O-CB 3.47Å; Y1044-N1048 PolarHBondContact O-N 3.4Å; Y1044-N1048 PolarHBondContact OH-ND2 2.75Å; E1045-N1048 PolarHBondContact O-N 3.22Å; N1048-F1050 VanDerWaalsContact C-N 3.26Å; N1048-K1081 WeakPolarHBondContact O-CD 3.26Å; N1048-K1081 WeakPolarHBondContact O-CE 3.49Å; N1048-K1081 PolarHBondContact O-NZ 2.81Å |
| 1049 | Q | 74.6 | Confident | 69.1 | Low | 108 Ų | 108 | 66.4 Ų | 66.4 | 51% | 0.505 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -26.3 | 170.4 | -69.1 | 167.3 | 18 | 0 | 0 | 112 | E1045 M1046 I1047 K1081 | E1045-Q1049 WeakPolarHBondContact O-CG 3.42Å; E1045-Q1049 PolarHBondContact O-N 2.87Å; E1045-Q1049 VanDerWaalsContact O-N 3.14Å; M1046-Q1049 VanDerWaalsContact O-CB 3.31Å; M1046-Q1049 WeakPolarHBondContact O-CB 3.35Å; M1046-Q1049 PolarHBondContact O-N 2.74Å; I1047-Q1049 PolarHBondContact O-N 3.37Å; I1047-Q1049 VanDerWaalsContact O-N 3.17Å; Q1049-K1081 VanDerWaalsContact O-CB 3.29Å; Q1049-K1081 WeakPolarHBondContact O-CB 3.39Å |
| 1050 | F | 79.9 | Confident | 70.9 | Confident | 28 Ų | 28 | 64.7 Ų | 64.7 | 12% | 0.123 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | -51.8 | -178.9 | -60.2 | -85.9 | 0 | 0 | 0 | 112.2 | F982 L984 I1027 M1046 I1047 N1048 K1081 Q1082 | F982-F1050 HydrophobicContact CD1-CB 3.96Å; F982-F1050 HydrophobicContact CD1-CD1 4.41Å; F982-F1050 HydrophobicContact CD1-CG 4.49Å; F982-F1050 HydrophobicContact CE1-CB 3.99Å; F982-F1050 AromaticContact CE1-CD1 3.93Å; F982-F1050 HydrophobicContact CE1-CD1 3.93Å; F982-F1050 HydrophobicContact CE1-CG 4.37Å; L984-F1050 HydrophobicContact CD2-CE1 4.46Å; I1027-F1050 HydrophobicContact CD1-CB 4.23Å; I1027-F1050 HydrophobicContact CD1-CD1 3.52Å; I1027-F1050 HydrophobicContact CD1-CD2 3.52Å; I1027-F1050 HydrophobicContact CD1-CE1 3.63Å; I1027-F1050 HydrophobicContact CD1-CE2 3.62Å; I1027-F1050 HydrophobicContact CD1-CG 3.47Å; I1027-F1050 VanDerWaalsContact CD1-CG 3.47Å; I1027-F1050 HydrophobicContact CD1-CZ 3.68Å; M1046-F1050 WeakPolarHBondContact O-CD2 3.18Å; M1046-F1050 WeakPolarHBondContact O-CE2 3.4Å; I1047-F1050 PolarHBondContact O-N 3.19Å; N1048-F1050 VanDerWaalsContact C-N 3.26Å; F1050-K1081 WeakPolarHBondContact O-CB 3.49Å; F1050-K1081 PolarHBondContact O-N 3.32Å; F1050-Q1082 HydrophobicContact CD1-CG 4.4Å |
| 1051 | V | 82 | Confident | 72.3 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 128.1 | -178.8 | -180 | 0 | 0 | 0 | 0 | 109.1 | W980 F982 I1047 I1078 I1079 I1086 | W980-V1051 HydrophobicContact CD2-CG1 4.23Å; W980-V1051 HydrophobicContact CE3-CB 4.46Å; W980-V1051 HydrophobicContact CE3-CG2 4.44Å; W980-V1051 HydrophobicContact CH2-CB 3.58Å; W980-V1051 HydrophobicContact CH2-CG1 4.22Å; W980-V1051 HydrophobicContact CH2-CG2 4.1Å; W980-V1051 HydrophobicContact CZ2-CB 3.62Å; W980-V1051 HydrophobicContact CZ2-CG1 3.81Å; W980-V1051 HydrophobicContact CZ3-CB 4.02Å; W980-V1051 HydrophobicContact CZ3-CG2 4.06Å; F982-V1051 HydrophobicContact CB-CG2 4.07Å; F982-V1051 HydrophobicContact CD1-CG2 4.34Å; F982-V1051 HydrophobicContact CD2-CG2 4.11Å; F982-V1051 HydrophobicContact CG-CG2 3.9Å; I1047-V1051 PolarHBondContact O-N 3.49Å; V1051-I1078 HydrophobicContact CG1-CB 4.34Å; V1051-I1079 WeakPolarHBondContact CA-O 2.99Å; V1051-I1086 HydrophobicContact CG1-CD1 4.28Å; V1051-I1086 HydrophobicContact CG2-CD1 3.82Å; V1051-I1086 HydrophobicContact CG2-CG1 4.37Å |
| 1052 | S | 81.5 | Confident | 73.2 | Confident | 26 Ų | 26 | 61.5 Ų | 61.5 | 18% | 0.182 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 130.5 | 172.7 | 54.7 | 0 | 0 | 0 | 0 | 110.3 | I1078 I1079 | S1052-I1078 CarbonylContact O-C 3.53Å; S1052-I1078 WeakPolarHBondContact O-CA 3.45Å; S1052-I1079 PolarHBondContact N-O 2.94Å; S1052-I1079 PolarHBondContact O-N 3.21Å |
| 1053 | G | 82 | Confident | 73.6 | Confident | 33 Ų | 33 | 60.3 Ų | 60.3 | 34% | 0.34 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 151.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 1054 | E | 80.9 | Confident | 73.5 | Confident | 71 Ų | 71 | 61.1 Ų | 61.1 | 33% | 0.332 | 30% | 0.304 | S | S | . | . | trans | -73.1 | 141.3 | 168.5 | -74 | 173.2 | -179.2 | 0 | 0 | 111.2 | L1076 S1077 | E1054-L1076 HydrophobicContact CB-CD2 4.27Å; E1054-S1077 PolarHBondContact N-O 3.46Å; E1054-S1077 PolarHBondContact OE1-OG 3.26Å; E1054-S1077 PolarHBondContact OE2-N 3.49Å; E1054-S1077 PolarHBondContact OE2-OG 3.27Å | ||
| 1055 | I | 80.7 | Confident | 73 | Confident | 81 Ų | 81 | 62.4 Ų | 62.4 | 42% | 0.415 | 32% | 0.321 | S | S | . | . | trans | -117.1 | 124.6 | 172.3 | -57 | 173.4 | 0 | 0 | 0 | 107.2 | H977 | H977-I1055 HydrophobicContact CB-CG1 4.19Š| ||
| 1056 | I | 78.7 | Confident | 72.2 | Confident | 44 Ų | 44 | 65.4 Ų | 65.4 | 23% | 0.226 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 113.1 | 171.6 | -69.8 | 170.2 | 0 | 0 | 0 | 107.8 | N975 V976 E1058 F1059 L1074 L1076 | N975-I1056 CarbonylContact C-O 3.57Å; N975-I1056 PolarHBondContact N-O 3.43Å; V976-I1056 HydrophobicContact CB-CB 4.32Å; V976-I1056 PolarHBondContact N-O 3.38Å; V976-I1056 PolarHBondContact O-N 2.85Å; I1056-E1058 VanDerWaalsContact C-N 3.31Å; I1056-E1058 VanDerWaalsContact CG2-O 3.28Å; I1056-E1058 WeakPolarHBondContact CG2-O 2.93Å; I1056-E1058 PolarHBondContact O-N 2.92Å; I1056-F1059 HydrophobicContact CG2-CB 4.15Å; I1056-L1074 HydrophobicContact CD1-CD1 3.53Å; I1056-L1076 HydrophobicContact CB-CD2 4.39Å; I1056-L1076 HydrophobicContact CD1-CD2 3.48Å; I1056-L1076 VanDerWaalsContact CD1-CD2 3.48Å; I1056-L1076 HydrophobicContact CD1-CG 4.04Å; I1056-L1076 HydrophobicContact CG1-CD2 3.65Å |
| 1057 | N | 77.5 | Confident | 71.2 | Confident | 118 Ų | 118 | 69.2 Ų | 69.2 | 63% | 0.631 | 36% | 0.361 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.3 | -35.6 | -176.3 | -68.4 | -9.8 | 0 | 0 | 0 | 112.8 | T974 N975 | T974-N1057 WeakPolarHBondContact CA-O 3.46Å; T974-N1057 VanDerWaalsContact CB-O 3.27Å; T974-N1057 WeakPolarHBondContact CB-O 3.43Å; N975-N1057 PolarHBondContact N-O 3.2Å; N975-N1057 VanDerWaalsContact N-O 3.13Å |
| 1058 | E | 78.9 | Confident | 70.1 | Confident | 84 Ų | 84 | 74.7 Ų | 74.7 | 39% | 0.393 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 132.5 | -179.8 | -172.3 | 179.8 | -154.5 | 0 | 0 | 111.5 | V972 F973 I1056 I1060 | V972-E1058 HydrophobicContact CG1-CG 4.4Å; F973-E1058 CarbonylContact O-C 3.59Å; F973-E1058 WeakPolarHBondContact O-CA 2.81Å; I1056-E1058 VanDerWaalsContact C-N 3.31Å; I1056-E1058 VanDerWaalsContact CG2-O 3.28Å; I1056-E1058 WeakPolarHBondContact CG2-O 2.93Å; I1056-E1058 PolarHBondContact O-N 2.92Å; E1058-I1060 HydrophobicContact CG-CD1 4.42Å; E1058-I1060 HydrophobicContact CG-CG1 4.09Å |
| 1059 | F | 78.4 | Confident | 68.9 | Low | 10 Ų | 10 | 82.9 Ų | 82.9 | 4% | 0.044 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 112.7 | 177.4 | -171.9 | -98.4 | 0 | 0 | 0 | 110.5 | L963 F973 V976 I1056 I1061 R1072 L1074 | L963-F1059 HydrophobicContact CD1-CE1 3.83Å; L963-F1059 HydrophobicContact CD1-CZ 4.47Å; F973-F1059 HydrophobicContact CB-CB 4.43Å; F973-F1059 HydrophobicContact CD2-CD1 4.28Å; F973-F1059 PolarHBondContact N-O 3.32Å; F973-F1059 PolarHBondContact O-N 2.63Å; V976-F1059 HydrophobicContact CG2-CB 4.11Å; I1056-F1059 HydrophobicContact CG2-CB 4.15Å; F1059-I1061 HydrophobicContact CD1-CD1 4.41Å; F1059-I1061 HydrophobicContact CD1-CG1 3.98Å; F1059-I1061 HydrophobicContact CE1-CD1 3.85Å; F1059-I1061 HydrophobicContact CE1-CG1 3.56Å; F1059-R1072 HydrophobicContact CE2-CG 4.28Å; F1059-R1072 HydrophobicContact CZ-CB 4.21Å; F1059-R1072 HydrophobicContact CZ-CG 3.75Å; F1059-L1074 HydrophobicContact CD1-CD1 4.46Å; F1059-L1074 HydrophobicContact CD2-CD1 3.65Å; F1059-L1074 HydrophobicContact CE1-CB 4.49Å; F1059-L1074 HydrophobicContact CE1-CD1 4.48Å; F1059-L1074 HydrophobicContact CE2-CB 4.2Å; F1059-L1074 HydrophobicContact CE2-CD1 3.67Å; F1059-L1074 HydrophobicContact CG-CD1 4.06Å; F1059-L1074 HydrophobicContact CZ-CB 3.95Å; F1059-L1074 HydrophobicContact CZ-CD1 4.1Å |
| 1060 | I | 73.6 | Confident | 67.9 | Low | 53 Ų | 53 | 81.6 Ų | 81.6 | 27% | 0.272 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 123.8 | -174.6 | -54.3 | 175.5 | 0 | 0 | 0 | 110.8 | L971 V972 E1058 L1062 R1072 | L971-I1060 CarbonylContact O-C 3.33Å; L971-I1060 VanDerWaalsContact O-CA 3.31Å; L971-I1060 WeakPolarHBondContact O-CA 3.37Å; V972-I1060 HydrophobicContact CG1-CG1 4.29Å; V972-I1060 HydrophobicContact CG2-CG1 4.28Å; V972-I1060 HydrophobicContact CG2-CG2 4.35Å; E1058-I1060 HydrophobicContact CG-CD1 4.42Å; E1058-I1060 HydrophobicContact CG-CG1 4.09Å; I1060-L1062 HydrophobicContact CG2-CD2 4.02Å; I1060-L1062 HydrophobicContact CG2-CG 4.2Å; I1060-R1072 PolarHBondContact O-NH1 3.25Å |
| 1061 | I | 73.4 | Confident | 67.1 | Low | 2 Ų | 2 | 82.1 Ų | 82.1 | 1% | 0.01 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 103.8 | 172.5 | -46.2 | 177.4 | 0 | 0 | 0 | 108.9 | P767 L963 N965 L971 F973 F1059 R1072 | P767-I1061 HydrophobicContact CB-CD1 3.9Å; P767-I1061 HydrophobicContact CG-CD1 4.01Å; L963-I1061 HydrophobicContact CB-CD1 3.83Å; L963-I1061 HydrophobicContact CD1-CD1 4.21Å; N965-I1061 HydrophobicContact CB-CB 4.26Å; N965-I1061 HydrophobicContact CB-CG2 3.56Å; N965-I1061 PolarHBondContact ND2-O 3.5Å; L971-I1061 HydrophobicContact CB-CB 4.41Å; L971-I1061 PolarHBondContact N-O 3.43Å; L971-I1061 VanDerWaalsContact N-O 3.08Å; L971-I1061 PolarHBondContact O-N 2.81Å; F973-I1061 HydrophobicContact CD2-CD1 4.44Å; F973-I1061 HydrophobicContact CE2-CD1 3.87Å; F973-I1061 HydrophobicContact CE2-CG1 4.21Å; F1059-I1061 HydrophobicContact CD1-CD1 4.41Å; F1059-I1061 HydrophobicContact CD1-CG1 3.98Å; F1059-I1061 HydrophobicContact CE1-CD1 3.85Å; F1059-I1061 HydrophobicContact CE1-CG1 3.56Å; I1061-R1072 HydrophobicContact CG2-CB 4.29Å |
| 1062 | L | 67.7 | Low | 66.8 | Low | 119 Ų | 119 | 87.9 Ų | 87.9 | 62% | 0.623 | 44% | 0.438 | S | S | * | . | trans | -80.5 | 151.8 | 173.5 | -63.7 | 174.4 | 0 | 0 | 0 | 110.8 | P970 I1060 | P970-L1062 HydrophobicContact CB-CD2 4.2Å; P970-L1062 HydrophobicContact CG-CD2 4.38Å; I1060-L1062 HydrophobicContact CG2-CD2 4.02Å; I1060-L1062 HydrophobicContact CG2-CG 4.2Å | ||
| 1063 | Y | 60.2 | Low | 66.7 | Low | 82 Ų | 82 | 92.6 Ų | 92.6 | 32% | 0.322 | 45% | 0.452 | S | S | . | . | trans | -86.1 | 110.3 | 168.5 | 177.5 | -97.3 | 0 | 0 | 0 | 109 | R968 T1065 L1070 | R968-Y1063 HydrophobicContact CB-CD1 4.43Å; R968-Y1063 HydrophobicContact CB-CD2 4.27Å; R968-Y1063 HydrophobicContact CB-CE2 4.39Å; R968-Y1063 HydrophobicContact CB-CG 4.3Å; R968-Y1063 HydrophobicContact CG-CD2 4.03Å; R968-Y1063 HydrophobicContact CG-CE1 4.23Å; R968-Y1063 HydrophobicContact CG-CE2 3.69Å; R968-Y1063 HydrophobicContact CG-CG 4.45Å; Y1063-T1065 HydrophobicContact CE1-CG2 4.46Å; Y1063-L1070 HydrophobicContact CD2-CD2 3.56Å; Y1063-L1070 HydrophobicContact CE2-CD2 3.42Å; Y1063-L1070 VanDerWaalsContact CE2-CD2 3.42Å | ||
| 1064 | E | 52.9 | Low | 66.8 | Low | 94 Ų | 94 | 91.1 Ų | 91.1 | 44% | 0.439 | 44% | 0.436 | S | S | . | . | trans | -89.2 | 135.7 | 171 | -99.2 | -173.1 | 145.9 | 0 | 0 | 110.7 | K1068 | E1064-K1068 HydrophobicContact CB-CB 4.27Å; E1064-K1068 VanDerWaalsContact CD-CD 3.49Å; E1064-K1068 VanDerWaalsContact OE1-CD 3.25Å; E1064-K1068 WeakPolarHBondContact OE1-CD 2.87Å; E1064-K1068 IonicContact OE1-NZ 3.85Å; E1064-K1068 PolarHBondContact OE1-NZ 3.01Å; E1064-K1068 WeakPolarHBondContact OE2-CB 2.65Å; E1064-K1068 VanDerWaalsContact OE2-CD 3.23Å; E1064-K1068 WeakPolarHBondContact OE2-CD 2.85Å | ||
| 1065 | T | 49.6 | Very low | 66.9 | Low | 112 Ų | 112 | 89.6 Ų | 89.6 | 69% | 0.687 | 43% | 0.43 | S | S | * | . | trans | -72.6 | 124 | -177 | 46.9 | 0 | 0 | 0 | 0 | 112.7 | Y1063 L1067 | Y1063-T1065 HydrophobicContact CE1-CG2 4.46Å; T1065-L1067 VanDerWaalsContact C-N 3.26Å; T1065-L1067 PolarHBondContact O-N 3.12Å | ||
| 1066 | L | 47.8 | Very low | 67.2 | Low | 167 Ų | 167 | 85.8 Ų | 85.8 | 87% | 0.874 | 41% | 0.41 | S | S | * | . | S | Bend | trans | 47.8 | -19.3 | 159.2 | -82.7 | 163.8 | 0 | 0 | 0 | 122 | ||
| 1067 | L | 47.8 | Very low | 67.5 | Low | 170 Ų | 170 | 83.8 Ų | 83.8 | 89% | 0.89 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -126.4 | -4.4 | -176.6 | -83 | 161.9 | 0 | 0 | 0 | 114.9 | T1065 | T1065-L1067 VanDerWaalsContact C-N 3.26Å; T1065-L1067 PolarHBondContact O-N 3.12Å |
| 1068 | K | 49.3 | Very low | 68 | Low | 132 Ų | 132 | 78.2 Ų | 78.2 | 57% | 0.574 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -126.1 | 132.1 | 176.5 | -71.4 | 175.8 | -179.7 | 175.5 | 0 | 109.6 | E1064 L1070 | E1064-K1068 HydrophobicContact CB-CB 4.27Å; E1064-K1068 VanDerWaalsContact CD-CD 3.49Å; E1064-K1068 VanDerWaalsContact OE1-CD 3.25Å; E1064-K1068 WeakPolarHBondContact OE1-CD 2.87Å; E1064-K1068 IonicContact OE1-NZ 3.85Å; E1064-K1068 PolarHBondContact OE1-NZ 3.01Å; E1064-K1068 WeakPolarHBondContact OE2-CB 2.65Å; E1064-K1068 VanDerWaalsContact OE2-CD 3.23Å; E1064-K1068 WeakPolarHBondContact OE2-CD 2.85Å; K1068-L1070 PolarHBondContact O-N 3.22Å |
| 1069 | R | 49.4 | Very low | 68.3 | Low | 206 Ų | 206 | 76 Ų | 76 | 78% | 0.777 | 36% | 0.361 | S | S | * | . | trans | -46.2 | 134.6 | -173.1 | -68 | 175.5 | 172.1 | 176.5 | -4 | 110.9 | S1071 | R1069-S1071 WeakPolarHBondContact CB-OG 3.17Å; R1069-S1071 PolarHBondContact O-N 3.26Å | ||
| 1070 | L | 53.6 | Low | 68.6 | Low | 81 Ų | 81 | 75.6 Ų | 75.6 | 42% | 0.424 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -61.8 | 17.9 | 172.6 | -67 | 164.7 | 0 | 0 | 0 | 114.3 | I964 N965 Y1063 K1068 | I964-L1070 WeakPolarHBondContact CA-O 3Å; I964-L1070 HydrophobicContact CG2-CB 4.29Å; N965-L1070 PolarHBondContact N-O 3.43Å; Y1063-L1070 HydrophobicContact CD2-CD2 3.56Å; Y1063-L1070 HydrophobicContact CE2-CD2 3.42Å; Y1063-L1070 VanDerWaalsContact CE2-CD2 3.42Å; K1068-L1070 PolarHBondContact O-N 3.22Å |
| 1071 | S | 63.9 | Low | 69 | Low | 40 Ų | 40 | 78.2 Ų | 78.2 | 28% | 0.28 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 119.7 | -164.9 | 68.2 | 0 | 0 | 0 | 0 | 111.1 | L963 R1069 | L963-S1071 CarbonylContact O-C 3.51Å; L963-S1071 VanDerWaalsContact O-CA 3.29Å; L963-S1071 WeakPolarHBondContact O-CA 2.99Å; R1069-S1071 WeakPolarHBondContact CB-OG 3.17Å; R1069-S1071 PolarHBondContact O-N 3.26Å |
| 1072 | R | 75.1 | Confident | 69.5 | Low | 121 Ų | 121 | 81.4 Ų | 81.4 | 46% | 0.457 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 135.7 | 170.2 | -167.7 | 177.3 | 173.7 | 172.4 | -1.9 | 108.7 | L963 F1059 I1060 I1061 | L963-R1072 PolarHBondContact N-O 3.27Å; L963-R1072 PolarHBondContact O-N 3.49Å; F1059-R1072 HydrophobicContact CE2-CG 4.28Å; F1059-R1072 HydrophobicContact CZ-CB 4.21Å; F1059-R1072 HydrophobicContact CZ-CG 3.75Å; I1060-R1072 PolarHBondContact O-NH1 3.25Å; I1061-R1072 HydrophobicContact CG2-CB 4.29Å |
| 1073 | Y | 79.5 | Confident | 70.2 | Confident | 125 Ų | 125 | 78.1 Ų | 78.1 | 49% | 0.49 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 130.8 | 174.2 | 63.1 | -89.7 | 0 | 0 | 0 | 110.2 | I961 | I961-Y1073 CarbonylContact O-C 3.44Å; I961-Y1073 WeakPolarHBondContact O-CA 3.26Å |
| 1074 | L | 83.8 | Confident | 71.3 | Confident | 1 Ų | 1 | 74.5 Ų | 74.5 | 1% | 0.005 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 136.7 | 168.1 | 179.4 | 67.1 | 0 | 0 | 0 | 107.9 | R960 I961 L963 V976 I1056 F1059 L1076 L1091 | R960-L1074 CarbonylContact C-O 3.55Å; R960-L1074 WeakPolarHBondContact CA-O 3.5Å; I961-L1074 HydrophobicContact CB-CB 4.48Å; I961-L1074 PolarHBondContact N-O 3.32Å; I961-L1074 PolarHBondContact O-N 2.96Å; L963-L1074 HydrophobicContact CD1-CB 4.03Å; L963-L1074 HydrophobicContact CD1-CD2 4.01Å; L963-L1074 HydrophobicContact CG-CB 4.47Å; V976-L1074 HydrophobicContact CG1-CD1 4.43Å; V976-L1074 HydrophobicContact CG1-CD2 3.78Å; I1056-L1074 HydrophobicContact CD1-CD1 3.53Å; F1059-L1074 HydrophobicContact CD1-CD1 4.46Å; F1059-L1074 HydrophobicContact CD2-CD1 3.65Å; F1059-L1074 HydrophobicContact CE1-CB 4.49Å; F1059-L1074 HydrophobicContact CE1-CD1 4.48Å; F1059-L1074 HydrophobicContact CE2-CB 4.2Å; F1059-L1074 HydrophobicContact CE2-CD1 3.67Å; F1059-L1074 HydrophobicContact CG-CD1 4.06Å; F1059-L1074 HydrophobicContact CZ-CB 3.95Å; F1059-L1074 HydrophobicContact CZ-CD1 4.1Å; L1074-L1076 HydrophobicContact CD1-CG 4.43Å; L1074-L1076 HydrophobicContact CD2-CD1 3.88Å; L1074-L1076 HydrophobicContact CG-CD1 4.15Å; L1074-L1076 HydrophobicContact CG-CG 4.27Å; L1074-L1091 HydrophobicContact CD2-CD1 3.96Å; L1074-L1091 HydrophobicContact CD2-CD2 3.97Å |
| 1075 | Q | 84.1 | Confident | 72.8 | Confident | 40 Ų | 40 | 72.9 Ų | 72.9 | 19% | 0.187 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 118.7 | 178.6 | -169.2 | 166.2 | 0.1 | 0 | 0 | 109.1 | P781 T958 V959 | P781-Q1075 VanDerWaalsContact CA-NE2 3.3Å; P781-Q1075 HydrophobicContact CB-CG 4.22Å; P781-Q1075 VanDerWaalsContact CB-NE2 3.32Å; P781-Q1075 HydrophobicContact CG-CG 4.02Å; T958-Q1075 HydrophobicContact CG2-CG 3.28Å; V959-Q1075 WeakPolarHBondContact O-CA 3.37Å |
| 1076 | L | 87.1 | Confident | 74.7 | Confident | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 137.5 | -177.6 | -74.5 | 166.6 | 0 | 0 | 0 | 108.7 | T958 V959 V976 L978 E1054 I1056 L1074 L1091 | T958-L1076 CarbonylContact C-O 3.57Å; T958-L1076 WeakPolarHBondContact CA-O 3.12Å; V959-L1076 PolarHBondContact N-O 2.64Å; V959-L1076 PolarHBondContact O-N 2.63Å; V976-L1076 HydrophobicContact CG1-CD1 4.25Å; L978-L1076 HydrophobicContact CD1-CB 3.65Å; L978-L1076 HydrophobicContact CD2-CD1 4.43Å; L978-L1076 HydrophobicContact CG-CB 3.81Å; L978-L1076 HydrophobicContact CG-CD1 3.93Å; E1054-L1076 HydrophobicContact CB-CD2 4.27Å; I1056-L1076 HydrophobicContact CB-CD2 4.39Å; I1056-L1076 HydrophobicContact CD1-CD2 3.48Å; I1056-L1076 VanDerWaalsContact CD1-CD2 3.48Å; I1056-L1076 HydrophobicContact CD1-CG 4.04Å; I1056-L1076 HydrophobicContact CG1-CD2 3.65Å; L1074-L1076 HydrophobicContact CD1-CG 4.43Å; L1074-L1076 HydrophobicContact CD2-CD1 3.88Å; L1074-L1076 HydrophobicContact CG-CD1 4.15Å; L1074-L1076 HydrophobicContact CG-CG 4.27Å; L1076-L1091 HydrophobicContact CD1-CD2 3.69Å |
| 1077 | S | 84.8 | Confident | 76.5 | Confident | 2 Ų | 2 | 60.6 Ų | 60.6 | 1% | 0.014 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 148.2 | 176 | 86.7 | 0 | 0 | 0 | 0 | 113.3 | H956 L957 T958 E1054 | H956-S1077 PolarHBondContact ND1-OG 3.25Å; L957-S1077 WeakPolarHBondContact O-CA 3.11Å; T958-S1077 WeakPolarHBondContact OG1-CB 3.34Å; E1054-S1077 PolarHBondContact N-O 3.46Å; E1054-S1077 PolarHBondContact OE1-OG 3.26Å; E1054-S1077 PolarHBondContact OE2-N 3.49Å; E1054-S1077 PolarHBondContact OE2-OG 3.27Å |
| 1078 | I | 87.4 | Confident | 78.3 | Confident | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 147.9 | 170.8 | 61.6 | 178.9 | 0 | 0 | 0 | 109.6 | L957 L978 V1051 S1052 I1086 I1088 | L957-I1078 HydrophobicContact CB-CG1 3.85Å; L957-I1078 HydrophobicContact CD2-CD1 4.16Å; L957-I1078 HydrophobicContact CD2-CG1 4.37Å; L957-I1078 PolarHBondContact N-O 3.36Å; L957-I1078 PolarHBondContact O-N 2.76Å; L978-I1078 HydrophobicContact CB-CG2 4.38Å; L978-I1078 HydrophobicContact CD1-CG2 3.91Å; V1051-I1078 HydrophobicContact CG1-CB 4.34Å; S1052-I1078 CarbonylContact O-C 3.53Å; S1052-I1078 WeakPolarHBondContact O-CA 3.45Å; I1078-I1086 HydrophobicContact CD1-CD1 4.44Å; I1078-I1086 HydrophobicContact CD1-CG2 3.89Å; I1078-I1088 HydrophobicContact CD1-CG1 4.33Å |
| 1079 | I | 84.4 | Confident | 79.8 | Confident | 39 Ų | 39 | 47.5 Ų | 47.5 | 20% | 0.2 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 121.9 | 177.9 | -50.1 | 171.6 | 0 | 0 | 0 | 107.9 | H956 V1051 S1052 | H956-I1079 WeakPolarHBondContact CE1-CD1 3.02Å; H956-I1079 WeakPolarHBondContact NE2-CD1 3.23Å; V1051-I1079 WeakPolarHBondContact CA-O 2.99Å; S1052-I1079 PolarHBondContact N-O 2.94Å; S1052-I1079 PolarHBondContact O-N 3.21Å |
| 1080 | A | 85.9 | Confident | 81.5 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 131.3 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | F951 L953 G954 I1086 I1209 | F951-A1080 HydrophobicContact CE2-CB 4.11Å; F951-A1080 HydrophobicContact CZ-CB 3.77Å; L953-A1080 HydrophobicContact CD1-CB 4.41Å; L953-A1080 WeakPolarHBondContact CD1-O 3.36Å; G954-A1080 PolarHBondContact N-O 2.91Å; A1080-I1086 HydrophobicContact CB-CD1 3.93Å; A1080-I1209 HydrophobicContact CB-CD1 3.43Å; A1080-I1209 VanDerWaalsContact CB-CD1 3.43Å; A1080-I1209 HydrophobicContact CB-CG1 3.71Å; A1080-I1209 HydrophobicContact CB-CG2 4.19Å |
| 1081 | K | 82.2 | Confident | 83.1 | Confident | 109 Ų | 109 | 34 Ų | 34 | 47% | 0.474 | 16% | 0.159 | S | C | . | . | trans | -103.4 | -14.2 | 175.8 | -64.9 | -178.1 | -177.2 | 173.3 | 0 | 113.1 | L953 N1048 Q1049 F1050 | L953-K1081 VanDerWaalsContact CD1-C 3.44Å; N1048-K1081 WeakPolarHBondContact O-CD 3.26Å; N1048-K1081 WeakPolarHBondContact O-CE 3.49Å; N1048-K1081 PolarHBondContact O-NZ 2.81Å; Q1049-K1081 VanDerWaalsContact O-CB 3.29Å; Q1049-K1081 WeakPolarHBondContact O-CB 3.39Å; F1050-K1081 WeakPolarHBondContact O-CB 3.49Å; F1050-K1081 PolarHBondContact O-N 3.32Å | ||
| 1082 | Q | 83 | Confident | 84 | Confident | 69 Ų | 69 | 32.3 Ų | 32.3 | 32% | 0.322 | 15% | 0.147 | S | C | . | . | S | Bend | trans | -129.2 | 161.1 | 173.4 | -64.5 | -171.4 | -5.4 | 0 | 0 | 112.4 | L953 F982 L984 F1050 | L953-Q1082 WeakPolarHBondContact CD1-O 3.34Å; F982-Q1082 HydrophobicContact CZ-CB 4.25Å; L984-Q1082 HydrophobicContact CD1-CB 4.23Å; L984-Q1082 VanDerWaalsContact CD1-OE1 3.24Å; F1050-Q1082 HydrophobicContact CD1-CG 4.4Å |
| 1083 | L | 81.7 | Confident | 84.5 | Confident | 50 Ų | 50 | 27 Ų | 27 | 26% | 0.262 | 13% | 0.128 | S | C | . | . | S | Bend | trans | -73.4 | 138.6 | 175.1 | -66.4 | 176.1 | 0 | 0 | 0 | 110.4 | L953 T985 I1209 | L953-L1083 HydrophobicContact CB-CD2 4.43Å; L953-L1083 HydrophobicContact CD2-CD2 4.43Å; T985-L1083 PolarHBondContact OG1-O 2.86Å; L1083-I1209 HydrophobicContact CD2-CG2 4.01Å |
| 1084 | G | 84.3 | Confident | 84.4 | Confident | 5 Ų | 5 | 23.3 Ų | 23.3 | 5% | 0.052 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 167.8 | -159.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | N983 I1209 | N983-G1084 CarbonylContact O-C 3.55Å; N983-G1084 WeakPolarHBondContact O-CA 3.38Å; G1084-I1209 WeakPolarHBondContact O-CB 3.45Å; G1084-I1209 PolarHBondContact O-N 2.82Å |
| 1085 | Q | 85 | Confident | 84.1 | Confident | 60 Ų | 60 | 23.2 Ų | 23.2 | 28% | 0.28 | 12% | 0.115 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 129.1 | 175.8 | -178.9 | 179.3 | -8.3 | 0 | 0 | 110.1 | M948 F982 N983 T1087 W1207 | M948-Q1085 VanDerWaalsContact CE-CD 3.47Å; M948-Q1085 HydrophobicContact CE-CG 3.93Å; M948-Q1085 PolarHBondContact SD-NE2 2.88Å; M948-Q1085 VanDerWaalsContact SD-NE2 3.45Å; F982-Q1085 CarbonylContact C-O 3.51Å; F982-Q1085 VanDerWaalsContact CA-O 3.3Å; F982-Q1085 WeakPolarHBondContact CA-O 2.97Å; F982-Q1085 WeakPolarHBondContact CD2-O 3.39Å; N983-Q1085 HydrophobicContact CB-CB 4.35Å; N983-Q1085 PolarHBondContact N-O 2.77Å; N983-Q1085 PolarHBondContact O-N 2.78Å; Q1085-T1087 HydrophobicContact CG-CG2 4.48Å; Q1085-W1207 CarbonylContact C-O 3.49Å; Q1085-W1207 WeakPolarHBondContact CA-O 3.41Å; Q1085-W1207 WeakPolarHBondContact CG-O 3.37Å |
| 1086 | I | 88.3 | Confident | 83.5 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 133.8 | 174.3 | -68.9 | 177.6 | 0 | 0 | 0 | 109.1 | F951 W980 I981 F982 V1051 I1078 A1080 I1088 W1207 I1209 | F951-I1086 HydrophobicContact CE1-CD1 4.33Å; F951-I1086 HydrophobicContact CZ-CD1 4.01Å; W980-I1086 HydrophobicContact CB-CG2 4.32Å; I981-I1086 CarbonylContact O-C 3.58Å; I981-I1086 WeakPolarHBondContact O-CA 3.33Å; F982-I1086 HydrophobicContact CB-CG1 4.36Å; F982-I1086 HydrophobicContact CD2-CD1 4.25Å; F982-I1086 HydrophobicContact CD2-CG1 3.46Å; F982-I1086 VanDerWaalsContact CD2-CG1 3.46Å; F982-I1086 HydrophobicContact CE2-CG1 4.22Å; F982-I1086 HydrophobicContact CG-CG1 4.33Å; V1051-I1086 HydrophobicContact CG1-CD1 4.28Å; V1051-I1086 HydrophobicContact CG2-CD1 3.82Å; V1051-I1086 HydrophobicContact CG2-CG1 4.37Å; I1078-I1086 HydrophobicContact CD1-CD1 4.44Å; I1078-I1086 HydrophobicContact CD1-CG2 3.89Å; A1080-I1086 HydrophobicContact CB-CD1 3.93Å; I1086-I1088 HydrophobicContact CG2-CG1 4.41Å; I1086-W1207 PolarHBondContact N-O 2.85Å; I1086-W1207 PolarHBondContact O-N 2.77Å; I1086-I1209 HydrophobicContact CD1-CD1 3.76Å; I1086-I1209 HydrophobicContact CD1-CG1 4.43Å; I1086-I1209 HydrophobicContact CG1-CD1 3.77Å |
| 1087 | T | 85.6 | Confident | 82.7 | Confident | 21 Ų | 21 | 24.4 Ų | 24.4 | 13% | 0.129 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 125.4 | 170.3 | 67 | 0 | 0 | 0 | 0 | 108.8 | W980 I981 Q1085 L1205 D1206 | W980-T1087 CarbonylContact C-O 3.56Å; W980-T1087 WeakPolarHBondContact CA-O 3.42Å; W980-T1087 WeakPolarHBondContact CB-O 3.44Å; I981-T1087 WeakPolarHBondContact CB-OG1 3.35Å; I981-T1087 PolarHBondContact N-O 3.44Å; I981-T1087 PolarHBondContact O-N 3.36Å; I981-T1087 PolarHBondContact O-OG1 2.98Å; Q1085-T1087 HydrophobicContact CG-CG2 4.48Å; T1087-L1205 CarbonylContact C-O 3.51Å; T1087-L1205 WeakPolarHBondContact CA-O 3.49Å; T1087-D1206 VanDerWaalsContact CB-OD1 3.23Å; T1087-D1206 WeakPolarHBondContact CB-OD1 3.23Å; T1087-D1206 HydrophobicContact CG2-CB 4.15Å; T1087-D1206 WeakPolarHBondContact CG2-OD1 2.97Å |
| 1088 | I | 86.4 | Confident | 81.4 | Confident | 2 Ų | 2 | 26.6 Ų | 26.6 | 1% | 0.01 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 115.1 | -178.9 | -58.2 | 161.6 | 0 | 0 | 0 | 108.1 | I776 L957 V959 L978 I1078 I1086 F1187 L1205 | I776-I1088 HydrophobicContact CD1-CD1 3.97Å; L957-I1088 HydrophobicContact CD2-CD1 4.12Å; V959-I1088 HydrophobicContact CG2-CD1 3.69Å; L978-I1088 HydrophobicContact CD2-CG2 4.21Å; I1078-I1088 HydrophobicContact CD1-CG1 4.33Å; I1086-I1088 HydrophobicContact CG2-CG1 4.41Å; I1088-F1187 HydrophobicContact CG2-CD2 3.98Å; I1088-F1187 HydrophobicContact CG2-CE2 3.55Å; I1088-L1205 HydrophobicContact CB-CD2 4.39Å; I1088-L1205 PolarHBondContact N-O 3.45Å; I1088-L1205 WeakPolarHBondContact O-CB 3.36Å |
| 1089 | T | 80.7 | Confident | 79.5 | Confident | 26 Ų | 26 | 28.5 Ų | 28.5 | 16% | 0.16 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | -31.4 | -172.4 | 57.4 | 0 | 0 | 0 | 0 | 113.2 | L979 I981 E1030 F1187 | L979-T1089 WeakPolarHBondContact CB-OG1 3.45Å; L979-T1089 PolarHBondContact O-N 2.63Å; L979-T1089 PolarHBondContact O-OG1 2.79Å; I981-T1089 HydrophobicContact CD1-CG2 3.63Å; I981-T1089 HydrophobicContact CG1-CG2 3.77Å; E1030-T1089 PolarHBondContact OE1-OG1 2.92Å; T1089-F1187 PolarHBondContact O-N 3.33Å |
| 1090 | G | 84.9 | Confident | 77.6 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 175.1 | -158 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | L979 I1185 | L979-G1090 PolarHBondContact N-O 2.75Å; L979-G1090 PolarHBondContact O-N 2.81Å; G1090-I1185 CarbonylContact C-O 3.55Å; G1090-I1185 WeakPolarHBondContact CA-O 3.37Å |
| 1091 | L | 86.4 | Confident | 75.5 | Confident | 3 Ų | 3 | 36.8 Ų | 36.8 | 2% | 0.016 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 140.6 | 172.9 | -73.8 | 169.2 | 0 | 0 | 0 | 109.9 | I961 L963 L978 L1074 L1076 K1184 I1185 F1187 | I961-L1091 HydrophobicContact CD1-CD1 3.63Å; I961-L1091 HydrophobicContact CD1-CD2 3.73Å; I961-L1091 HydrophobicContact CD1-CG 3.81Å; I961-L1091 HydrophobicContact CG2-CD1 4.36Å; L963-L1091 HydrophobicContact CD2-CD1 4.38Å; L978-L1091 HydrophobicContact CD2-CD2 3.75Å; L978-L1091 HydrophobicContact CG-CD2 4.37Å; L1074-L1091 HydrophobicContact CD2-CD1 3.96Å; L1074-L1091 HydrophobicContact CD2-CD2 3.97Å; L1076-L1091 HydrophobicContact CD1-CD2 3.69Å; L1091-K1184 CarbonylContact O-C 2.95Å; L1091-K1184 VanDerWaalsContact O-CA 3.26Å; L1091-K1184 WeakPolarHBondContact O-CA 3.3Å; L1091-I1185 PolarHBondContact N-O 2.94Å; L1091-I1185 PolarHBondContact O-N 2.72Å; L1091-F1187 HydrophobicContact CD1-CE1 4.16Å; L1091-F1187 HydrophobicContact CD1-CZ 4.34Å; L1091-F1187 HydrophobicContact CD2-CZ 4.48Å; L1091-F1187 HydrophobicContact CG-CE1 3.93Å; L1091-F1187 HydrophobicContact CG-CZ 3.78Å |
| 1092 | A | 83.8 | Confident | 73.4 | Confident | 4 Ų | 4 | 37.9 Ų | 37.9 | 3% | 0.033 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 148.2 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | V976 H977 L979 | V976-A1092 WeakPolarHBondContact CA-O 3.28Å; H977-A1092 PolarHBondContact N-O 2.66Å; H977-A1092 PolarHBondContact O-N 3.16Å; L979-A1092 HydrophobicContact CD1-CB 4.06Å; L979-A1092 HydrophobicContact CD2-CB 3.63Å; L979-A1092 HydrophobicContact CG-CB 3.8Å |
| 1093 | F | 85.3 | Confident | 71 | Confident | 11 Ų | 11 | 39 Ų | 39 | 5% | 0.048 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.6 | 164.9 | -177.7 | 51.8 | -95.1 | 0 | 0 | 0 | 111.2 | F764 F973 V976 W1095 K1182 G1183 I1185 | F764-F1093 HydrophobicContact CB-CE2 4.32Å; F764-F1093 HydrophobicContact CB-CZ 3.88Å; F764-F1093 HydrophobicContact CG-CE2 4.41Å; F764-F1093 HydrophobicContact CG-CZ 4.38Å; F973-F1093 HydrophobicContact CB-CB 4.36Å; F973-F1093 HydrophobicContact CD1-CB 4.33Å; F973-F1093 AromaticContact CD1-CD2 3.42Å; F973-F1093 HydrophobicContact CD1-CD2 3.42Å; F973-F1093 VanDerWaalsContact CD1-CD2 3.42Å; F973-F1093 AromaticContact CD1-CE2 3.74Å; F973-F1093 HydrophobicContact CD1-CE2 3.74Å; F973-F1093 AromaticContact CD1-CG 3.84Å; F973-F1093 HydrophobicContact CD1-CG 3.84Å; F973-F1093 HydrophobicContact CD1-CZ 4.41Å; F973-F1093 AromaticContact CE1-CD2 3.89Å; F973-F1093 HydrophobicContact CE1-CD2 3.89Å; F973-F1093 AromaticContact CE1-CE2 3.67Å; F973-F1093 HydrophobicContact CE1-CE2 3.67Å; F973-F1093 HydrophobicContact CE1-CZ 4.15Å; V976-F1093 HydrophobicContact CG2-CB 4.01Å; F1093-W1095 HydrophobicContact CD2-CB 3.95Å; F1093-W1095 HydrophobicContact CE2-CB 3.94Å; F1093-K1182 WeakPolarHBondContact O-CA 3.49Å; F1093-G1183 PolarHBondContact N-O 3.15Å; F1093-G1183 VanDerWaalsContact N-O 3.1Å; F1093-G1183 PolarHBondContact O-N 2.65Å; F1093-I1185 HydrophobicContact CE1-CD1 3.6Å; F1093-I1185 HydrophobicContact CE1-CG1 3.74Å; F1093-I1185 HydrophobicContact CZ-CD1 3.9Å; F1093-I1185 HydrophobicContact CZ-CG1 4.03Å |
| 1094 | E | 78.1 | Confident | 68.6 | Low | 46 Ų | 46 | 43.4 Ų | 43.4 | 22% | 0.215 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 128.1 | 162.1 | -81.1 | 174.2 | 178.6 | 0 | 0 | 108.2 | F973 T974 N975 K1182 | F973-E1094 CarbonylContact C-O 3.53Å; F973-E1094 WeakPolarHBondContact CA-O 3.37Å; T974-E1094 PolarHBondContact N-O 3.3Å; T974-E1094 PolarHBondContact O-N 2.84Å; T974-E1094 WeakPolarHBondContact OG1-CB 3.2Å; T974-E1094 PolarHBondContact OG1-O 3.48Å; N975-E1094 PolarHBondContact ND2-OE2 2.98Å; E1094-K1182 HydrophobicContact CG-CG 3.56Å; E1094-K1182 WeakPolarHBondContact OE1-CE 3.08Å; E1094-K1182 IonicContact OE1-NZ 2.94Å |
| 1095 | W | 77.5 | Confident | 66.1 | Low | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 129.6 | -179.4 | -178.5 | 53.3 | 0 | 0 | 0 | 111.2 | V740 L744 F764 L971 V972 F973 F1093 S1180 V1181 | V740-W1095 HydrophobicContact CB-CH2 4.1Å; V740-W1095 HydrophobicContact CG1-CH2 3.23Å; V740-W1095 HydrophobicContact CG1-CZ2 3.84Å; V740-W1095 HydrophobicContact CG1-CZ3 3.96Å; V740-W1095 HydrophobicContact CG2-CH2 3.85Å; V740-W1095 HydrophobicContact CG2-CZ2 4.37Å; L744-W1095 HydrophobicContact CD1-CE3 3.96Å; L744-W1095 HydrophobicContact CD1-CH2 4.25Å; L744-W1095 HydrophobicContact CD1-CZ3 3.53Å; L744-W1095 HydrophobicContact CD2-CE3 3.7Å; L744-W1095 HydrophobicContact CD2-CZ3 3.51Å; L744-W1095 HydrophobicContact CG-CE3 4.19Å; L744-W1095 HydrophobicContact CG-CZ3 3.6Å; F764-W1095 HydrophobicContact CD1-CE3 4.47Å; F764-W1095 HydrophobicContact CE1-CD2 4.08Å; F764-W1095 AromaticContact CE1-CE3 3.54Å; F764-W1095 HydrophobicContact CE1-CE3 3.54Å; F764-W1095 AromaticContact CE1-CH2 3.82Å; F764-W1095 HydrophobicContact CE1-CH2 3.82Å; F764-W1095 HydrophobicContact CE1-CZ2 4.39Å; F764-W1095 AromaticContact CE1-CZ3 3.45Å; F764-W1095 HydrophobicContact CE1-CZ3 3.45Å; F764-W1095 VanDerWaalsContact CE1-CZ3 3.45Å; F764-W1095 AromaticContact CE2-CE3 3.65Å; F764-W1095 HydrophobicContact CE2-CE3 3.65Å; F764-W1095 AromaticContact CE2-CZ3 3.86Å; F764-W1095 HydrophobicContact CE2-CZ3 3.86Å; F764-W1095 HydrophobicContact CZ-CD2 4.08Å; F764-W1095 AromaticContact CZ-CE3 3.11Å; F764-W1095 HydrophobicContact CZ-CE3 3.11Å; F764-W1095 AromaticContact CZ-CH2 3.76Å; F764-W1095 HydrophobicContact CZ-CH2 3.76Å; F764-W1095 AromaticContact CZ-CZ3 2.96Å; F764-W1095 HydrophobicContact CZ-CZ3 2.96Å; L971-W1095 HydrophobicContact CD2-CZ2 3.8Å; V972-W1095 VanDerWaalsContact O-CD1 3.27Å; F973-W1095 HydrophobicContact CD1-CB 4.04Å; F973-W1095 AromaticContact CD1-CD1 3.59Å; F973-W1095 HydrophobicContact CD1-CG 4.09Å; F973-W1095 HydrophobicContact CE1-CB 4.06Å; F973-W1095 AromaticContact CE1-CD1 3.26Å; F973-W1095 AromaticContact CE1-CG 3.75Å; F973-W1095 HydrophobicContact CE1-CG 3.75Å; F973-W1095 AromaticContact CE1-NE1 3.93Å; F973-W1095 AromaticContact CZ-CD1 3.83Å; F1093-W1095 HydrophobicContact CD2-CB 3.95Å; F1093-W1095 HydrophobicContact CE2-CB 3.94Å; W1095-S1180 VanDerWaalsContact O-CA 3.29Å; W1095-S1180 WeakPolarHBondContact O-CA 3.26Å; W1095-V1181 PolarHBondContact N-O 3.48Å; W1095-V1181 PolarHBondContact O-N 2.96Å |
| 1096 | S | 71.2 | Confident | 63.3 | Low | 13 Ų | 13 | 53.5 Ų | 53.5 | 9% | 0.091 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 143 | 169.9 | 63.6 | 0 | 0 | 0 | 0 | 109.4 | V972 L1098 | V972-S1096 WeakPolarHBondContact CB-O 3.5Å; V972-S1096 PolarHBondContact N-O 3.1Å; V972-S1096 PolarHBondContact O-N 3.13Å; V972-S1096 VanDerWaalsContact O-N 3.1Å; V972-S1096 VanDerWaalsContact O-O 3.05Å; S1096-L1098 PolarHBondContact OG-O 3.29Å |
| 1097 | Y | 69.1 | Low | 60.2 | Low | 52 Ų | 52 | 59.6 Ų | 59.6 | 20% | 0.204 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -92.9 | -7.6 | 175.1 | 68.6 | -87.4 | 0 | 0 | 0 | 112.3 | L737 V740 K741 L744 N1179 | L737-Y1097 HydrophobicContact CD1-CD2 4Å; V740-Y1097 HydrophobicContact CG1-CD1 4.41Å; V740-Y1097 HydrophobicContact CG1-CG 4.26Å; K741-Y1097 HydrophobicContact CD-CE2 4.26Å; K741-Y1097 VanDerWaalsContact CE-CE2 3.43Å; K741-Y1097 HydrophobicContact CG-CD2 4.39Å; K741-Y1097 HydrophobicContact CG-CE1 4.43Å; K741-Y1097 HydrophobicContact CG-CE2 3.85Å; L744-Y1097 HydrophobicContact CD1-CD1 3.42Å; L744-Y1097 VanDerWaalsContact CD1-CD1 3.42Å; L744-Y1097 HydrophobicContact CD1-CE1 3.9Å; L744-Y1097 HydrophobicContact CD1-CG 4.48Å; Y1097-N1179 HydrophobicContact CE1-CB 4.45Å |
| 1098 | L | 58.3 | Low | 57.3 | Low | 47 Ų | 47 | 67.3 Ų | 67.3 | 25% | 0.246 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -99.3 | 135.9 | 174.6 | -69.8 | 163.9 | 0 | 0 | 0 | 109 | S1096 N1179 | S1096-L1098 PolarHBondContact OG-O 3.29Å; L1098-N1179 HydrophobicContact CD1-CB 4.15Å; L1098-N1179 VanDerWaalsContact CD1-ND2 3.32Å; L1098-N1179 WeakPolarHBondContact CD1-ND2 3.48Å |
| 1099 | S | 46.6 | Very low | 54.2 | Low | 42 Ų | 42 | 74.8 Ų | 74.8 | 29% | 0.294 | 38% | 0.383 | S | S | . | . | trans | -60.9 | 130.3 | 166.4 | 161 | 0 | 0 | 0 | 0 | 109.1 | H1101 Q1102 | S1099-H1101 PolarHBondContact O-N 2.94Å; S1099-H1101 PolarHBondContact OG-N 2.69Å; S1099-H1101 VanDerWaalsContact OG-N 3.16Å; S1099-Q1102 PolarHBondContact O-N 2.83Å | ||
| 1100 | P | 44.7 | Very low | 51.5 | Low | 64 Ų | 64 | 80.4 Ų | 80.4 | 42% | 0.416 | 41% | 0.412 | S | S | . | . | G | 310 helix | trans | -54.2 | -24.4 | 172.9 | -24 | 32 | 0 | 0 | 0 | 113 | Q1102 | P1100-Q1102 VanDerWaalsContact C-N 3.29Å; P1100-Q1102 PolarHBondContact O-N 2.92Å |
| 1101 | H | 43.4 | Very low | 48.7 | Very low | 148 Ų | 148 | 87.4 Ų | 87.4 | 69% | 0.685 | 46% | 0.455 | S | S | * | . | G | 310 helix | trans | -77.2 | -6.2 | -179.9 | -63.5 | -50.6 | 0 | 0 | 0 | 114.9 | S1099 | S1099-H1101 PolarHBondContact O-N 2.94Å; S1099-H1101 PolarHBondContact OG-N 2.69Å; S1099-H1101 VanDerWaalsContact OG-N 3.16Å |
| 1102 | Q | 38.3 | Very low | 45.5 | Very low | 133 Ų | 133 | 93.8 Ų | 93.8 | 62% | 0.621 | 49% | 0.49 | S | S | * | . | G | 310 helix | trans | -93 | -12.5 | 174.3 | -81.7 | -175.8 | -29.6 | 0 | 0 | 114.2 | S1099 P1100 N1104 | S1099-Q1102 PolarHBondContact O-N 2.83Å; P1100-Q1102 VanDerWaalsContact C-N 3.29Å; P1100-Q1102 PolarHBondContact O-N 2.92Å; Q1102-N1104 PolarHBondContact O-N 2.82Å |
| 1103 | N | 31.7 | Very low | 42.6 | Very low | 92 Ų | 92 | 101.2 Ų | 101.2 | 49% | 0.492 | 52% | 0.523 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -4.9 | 179.8 | -86.1 | 12.1 | 0 | 0 | 0 | 114.5 | ||
| 1104 | N | 30.6 | Very low | 39.5 | Very low | 143 Ų | 143 | 112.3 Ų | 112.3 | 77% | 0.765 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.3 | 3.3 | -176.6 | -83.3 | -0.5 | 0 | 0 | 0 | 115.6 | Q1102 | Q1102-N1104 PolarHBondContact O-N 2.82Š|
| 1105 | V | 31.9 | Very low | 36.7 | Very low | 89 Ų | 89 | 116.1 Ų | 116.1 | 54% | 0.539 | 59% | 0.593 | S | S | . | * | S | Bend | trans | -98.4 | -14.8 | -172.9 | -173.8 | 0 | 0 | 0 | 0 | 114 | ||
| 1106 | E | 25.8 | Very low | 34 | Very low | 187 Ų | 187 | 119.7 Ų | 119.7 | 87% | 0.874 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -97.5 | 1 | -174.3 | -75.1 | -172.1 | 165.6 | 0 | 0 | 116.7 | ||
| 1107 | N | 24.8 | Very low | 31.8 | Very low | 129 Ų | 129 | 126.8 Ų | 126.8 | 69% | 0.69 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -121.3 | 40.1 | -175 | -80.6 | -22.4 | 0 | 0 | 0 | 115.7 | ||
| 1108 | H | 24.5 | Very low | 29.5 | Very low | 183 Ų | 183 | 129.4 Ų | 129.4 | 85% | 0.847 | 69% | 0.685 | S | S | * | * | trans | -145 | 74 | 168.6 | -77.5 | -57.1 | 0 | 0 | 0 | 113.2 | ||||
| 1109 | I | 21.6 | Very low | 27.8 | Very low | 159 Ų | 159 | 133.1 Ų | 133.1 | 82% | 0.815 | 71% | 0.712 | S | S | * | * | trans | -131.3 | 131.6 | 153 | -59.6 | 177.2 | 0 | 0 | 0 | 106.7 | ||||
| 1110 | N | 22.7 | Very low | 26.6 | Very low | 143 Ų | 143 | 136 Ų | 136 | 77% | 0.765 | 73% | 0.732 | S | S | * | * | trans | 82.6 | 96 | -176.2 | -66.6 | -21.3 | 0 | 0 | 0 | 116.7 | ||||
| 1111 | T | 26.3 | Very low | 25.5 | Very low | 147 Ų | 147 | 140.2 Ų | 140.2 | 90% | 0.902 | 75% | 0.749 | S | S | * | * | -170.6 | 109.7 | 117.7 | 30.4 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 1112 | D | 19.9 | Very low | 24.4 | Very low | 138 Ų | 138 | 140.5 Ų | 140.5 | 74% | 0.738 | 75% | 0.754 | S | S | * | * | trans | -69.9 | 157 | 169.3 | -71.5 | -53.5 | 0 | 0 | 0 | 112.1 | ||||
| 1113 | H | 22 | Very low | 23.6 | Very low | 160 Ų | 160 | 142.5 Ų | 142.5 | 74% | 0.741 | 76% | 0.764 | S | S | * | * | trans | 66.5 | 98.8 | 155.8 | -58.9 | -52.5 | 0 | 0 | 0 | 118.7 | ||||
| 1114 | Y | 20.6 | Very low | 23.1 | Very low | 243 Ų | 243 | 143.2 Ų | 143.2 | 95% | 0.953 | 78% | 0.776 | S | S | * | * | -154.3 | 134.8 | 126.1 | -106.8 | -79.7 | 0 | 0 | 0 | 110.3 | |||||
| 1115 | V | 20 | Very low | 22.6 | Very low | 127 Ų | 127 | 141.4 Ų | 141.4 | 77% | 0.77 | 78% | 0.781 | S | S | * | * | trans | -103.7 | 143.3 | -167.7 | 165 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1116 | A | 20.5 | Very low | 22.1 | Very low | 74 Ų | 74 | 142.2 Ų | 142.2 | 61% | 0.612 | 79% | 0.788 | S | S | * | * | trans | 61.5 | 117.3 | 153.1 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1117 | N | 24.3 | Very low | 21.9 | Very low | 162 Ų | 162 | 140.5 Ų | 140.5 | 87% | 0.866 | 79% | 0.785 | S | S | * | * | -179.3 | 150.3 | 96.7 | -93.8 | -29.4 | 0 | 0 | 0 | 112.5 | |||||
| 1118 | S | 21.6 | Very low | 21.7 | Very low | 107 Ų | 107 | 141.7 Ų | 141.7 | 75% | 0.748 | 80% | 0.796 | S | S | * | * | trans | -72.6 | 168.2 | -166.4 | 48 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1119 | P | 22.3 | Very low | 21.4 | Very low | 126 Ų | 126 | 138.6 Ų | 138.6 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | -98.2 | 158.7 | -172.8 | 38.4 | -32 | 0 | 0 | 0 | 114.2 | ||||
| 1120 | S | 20.9 | Very low | 21.3 | Very low | 102 Ų | 102 | 139 Ų | 139 | 71% | 0.713 | 80% | 0.797 | S | S | * | * | trans | -161.5 | 126.1 | 168.6 | 54.2 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1121 | I | 22.1 | Very low | 21.1 | Very low | 152 Ų | 152 | 136.6 Ų | 136.6 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | trans | 70.9 | 103 | 134.3 | -55.2 | 166.5 | 0 | 0 | 0 | 116.9 | ||||
| 1122 | I | 20 | Very low | 20.7 | Very low | 154 Ų | 154 | 135.3 Ų | 135.3 | 79% | 0.79 | 78% | 0.784 | S | S | * | * | 54.7 | 119.8 | 90.5 | -53.3 | 173.5 | 0 | 0 | 0 | 115.2 | |||||
| 1123 | E | 21.9 | Very low | 20.8 | Very low | 175 Ų | 175 | 134.5 Ų | 134.5 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | trans | 146.3 | 98.8 | 147.4 | -83.9 | -177.4 | 171.7 | 0 | 0 | 109.2 | ||||
| 1124 | S | 20.1 | Very low | 20.7 | Very low | 108 Ų | 108 | 132.8 Ų | 132.8 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | 58.1 | 100.4 | 85.1 | 68.8 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 1125 | A | 20.7 | Very low | 20.7 | Very low | 104 Ų | 104 | 125.7 Ų | 125.7 | 86% | 0.86 | 77% | 0.771 | S | S | * | * | trans | -154.1 | 113.4 | 149.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1126 | P | 21.9 | Very low | 20.9 | Very low | 107 Ų | 107 | 127.1 Ų | 127.1 | 70% | 0.695 | 77% | 0.774 | S | S | * | * | trans | -106 | 163.7 | 176 | 37.3 | -28.7 | 0 | 0 | 0 | 113.1 | ||||
| 1127 | N | 20.2 | Very low | 20.9 | Very low | 151 Ų | 151 | 128.8 Ų | 128.8 | 81% | 0.807 | 78% | 0.781 | S | S | * | * | trans | 76.3 | 99.4 | 157.4 | -60.9 | -20.1 | 0 | 0 | 0 | 118.9 | ||||
| 1128 | V | 22.5 | Very low | 20.8 | Very low | 153 Ų | 153 | 130.7 Ų | 130.7 | 93% | 0.927 | 78% | 0.782 | S | S | * | * | trans | -130.3 | 113.7 | 142.9 | -179.1 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 1129 | C | 18.2 | Very low | 20.8 | Very low | 118 Ų | 118 | 133.2 Ų | 133.2 | 80% | 0.797 | 79% | 0.787 | S | S | * | * | trans | -135.7 | 136.5 | 173.6 | -162.9 | 0 | 0 | 0 | 0 | 106 | ||||
| 1130 | L | 18.5 | Very low | 20.6 | Very low | 167 Ų | 167 | 134 Ų | 134 | 87% | 0.874 | 78% | 0.784 | S | S | * | * | trans | 138.3 | 135 | 178.7 | -81.6 | 154.7 | 0 | 0 | 0 | 105.6 | ||||
| 1131 | S | 18.6 | Very low | 20.6 | Very low | 93 Ų | 93 | 136.5 Ų | 136.5 | 65% | 0.65 | 79% | 0.79 | S | S | * | * | cis | -173.2 | 143.2 | 15.6 | 47.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1132 | T | 18.2 | Very low | 20.5 | Very low | 121 Ų | 121 | 137.7 Ų | 137.7 | 74% | 0.742 | 80% | 0.797 | S | S | * | * | trans | 28 | 133 | 138.6 | 61.2 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1133 | T | 20.6 | Very low | 20.4 | Very low | 120 Ų | 120 | 140 Ų | 140 | 74% | 0.736 | 80% | 0.797 | S | S | * | * | 173.6 | 135.2 | 106.8 | 39.3 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 1134 | T | 20.7 | Very low | 20.5 | Very low | 124 Ų | 124 | 139 Ų | 139 | 76% | 0.761 | 80% | 0.796 | S | S | * | * | trans | 51.7 | 137.5 | 136.7 | 64.8 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1135 | S | 21.5 | Very low | 20.5 | Very low | 95 Ų | 95 | 141.1 Ų | 141.1 | 66% | 0.664 | 80% | 0.798 | S | S | * | * | cis | 168.8 | 136.1 | 16.5 | 40.9 | 0 | 0 | 0 | 0 | 102.7 | ||||
| 1136 | N | 23.3 | Very low | 20.5 | Very low | 157 Ų | 157 | 139.6 Ų | 139.6 | 84% | 0.84 | 79% | 0.793 | S | S | * | * | trans | -171.9 | 88.7 | 150.4 | -95.7 | -16.6 | 0 | 0 | 0 | 108.5 | ||||
| 1137 | S | 19.9 | Very low | 20.5 | Very low | 108 Ų | 108 | 144.1 Ų | 144.1 | 76% | 0.755 | 80% | 0.802 | S | S | * | * | trans | -89.9 | 117 | 157.7 | 64.3 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 1138 | F | 22.2 | Very low | 20.5 | Very low | 202 Ų | 202 | 143.8 Ų | 143.8 | 89% | 0.886 | 80% | 0.8 | S | S | * | * | trans | -126.5 | 121.4 | 153.9 | -96.8 | -82.5 | 0 | 0 | 0 | 108.5 | ||||
| 1139 | N | 21.5 | Very low | 20.4 | Very low | 161 Ų | 161 | 143.2 Ų | 143.2 | 86% | 0.861 | 79% | 0.791 | S | S | * | * | trans | -65.5 | 138.1 | -169.8 | -100.3 | -23.6 | 0 | 0 | 0 | 112.6 | ||||
| 1140 | N | 19.6 | Very low | 20.6 | Very low | 141 Ų | 141 | 142.1 Ų | 142.1 | 75% | 0.754 | 79% | 0.785 | S | S | * | * | trans | -58.6 | 147.5 | 151 | -74.1 | -30.8 | 0 | 0 | 0 | 110.6 | ||||
| 1141 | N | 20.5 | Very low | 20.7 | Very low | 156 Ų | 156 | 139.1 Ų | 139.1 | 83% | 0.834 | 78% | 0.784 | S | S | * | * | trans | 140.6 | 93.8 | 144.9 | -70.5 | -23.7 | 0 | 0 | 0 | 110.2 | ||||
| 1142 | L | 20.8 | Very low | 20.9 | Very low | 177 Ų | 177 | 141.3 Ų | 141.3 | 93% | 0.927 | 79% | 0.794 | S | S | * | * | trans | -150.1 | 107.3 | 148.4 | -104.6 | 149 | 0 | 0 | 0 | 109.4 | ||||
| 1143 | Y | 17 | Very low | 21.1 | Very low | 203 Ų | 203 | 141.4 Ų | 141.4 | 80% | 0.796 | 79% | 0.794 | S | S | * | * | trans | -55.3 | 148.9 | 167.7 | -135.5 | -105.8 | 0 | 0 | 0 | 110.9 | ||||
| 1144 | I | 23 | Very low | 21.1 | Very low | 153 Ų | 153 | 142.6 Ų | 142.6 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | 157.3 | 121.8 | 127 | -80.3 | 157 | 0 | 0 | 0 | 111.5 | |||||
| 1145 | D | 21.4 | Very low | 21.3 | Very low | 152 Ų | 152 | 143.1 Ų | 143.1 | 81% | 0.813 | 80% | 0.799 | S | S | * | * | trans | -48.9 | 150.4 | 164.4 | -74.9 | -52.7 | 0 | 0 | 0 | 114.6 | ||||
| 1146 | G | 21.4 | Very low | 21.2 | Very low | 73 Ų | 73 | 147.2 Ų | 147.2 | 75% | 0.753 | 81% | 0.81 | S | S | * | * | trans | -177.8 | 74.3 | 169.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | N1148 | G1146-N1148 PolarHBondContact O-N 3.35Š| ||
| 1147 | K | 21 | Very low | 21.2 | Very low | 201 Ų | 201 | 145.1 Ų | 145.1 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | trans | -49.3 | 127.3 | 159.7 | -72.8 | 174.3 | 174.7 | 173.7 | 0 | 109.7 | ||||
| 1148 | N | 21.1 | Very low | 21.3 | Very low | 145 Ų | 145 | 145.6 Ų | 145.6 | 78% | 0.775 | 81% | 0.805 | S | S | * | * | trans | 179.8 | 141.2 | 132.2 | -102 | -20.3 | 0 | 0 | 0 | 114.6 | G1146 | G1146-N1148 PolarHBondContact O-N 3.35Š| ||
| 1149 | L | 20.4 | Very low | 21.4 | Very low | 141 Ų | 141 | 142.9 Ų | 142.9 | 74% | 0.738 | 80% | 0.8 | S | S | * | * | trans | 76.3 | 106.8 | 138.5 | -74.9 | 157 | 0 | 0 | 0 | 120.7 | ||||
| 1150 | S | 20.8 | Very low | 21.5 | Very low | 95 Ų | 95 | 143.5 Ų | 143.5 | 66% | 0.664 | 80% | 0.802 | S | S | * | * | 57.9 | 112.2 | 123.8 | 64.3 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 1151 | A | 20.5 | Very low | 22 | Very low | 104 Ų | 104 | 142.1 Ų | 142.1 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | trans | 25.6 | 103.5 | 131.2 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1152 | T | 23.9 | Very low | 22.4 | Very low | 138 Ų | 138 | 140 Ų | 140 | 85% | 0.847 | 80% | 0.796 | S | S | * | * | trans | -135.3 | 131.6 | 150.8 | 50.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1153 | T | 21.7 | Very low | 22.6 | Very low | 123 Ų | 123 | 137.6 Ų | 137.6 | 76% | 0.755 | 79% | 0.791 | S | S | * | * | trans | -58.6 | 149.9 | 176.7 | 42.4 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1154 | D | 21.8 | Very low | 22.9 | Very low | 145 Ų | 145 | 136 Ų | 136 | 78% | 0.775 | 79% | 0.794 | S | S | * | * | trans | 48.8 | 109.8 | 143.9 | -60.7 | -26.9 | 0 | 0 | 0 | 119.1 | ||||
| 1155 | T | 24.2 | Very low | 22.8 | Very low | 136 Ų | 136 | 133.3 Ų | 133.3 | 83% | 0.834 | 79% | 0.789 | S | S | * | * | -150.9 | 105.7 | 129.7 | 24.7 | 0 | 0 | 0 | 0 | 109 | C1157 | T1155-C1157 PolarHBondContact O-N 2.91Å; T1155-C1157 VanDerWaalsContact O-N 3.08Å | |||
| 1156 | M | 20 | Very low | 22.9 | Very low | 180 Ų | 180 | 132.4 Ų | 132.4 | 89% | 0.887 | 78% | 0.784 | S | S | * | * | trans | -54.4 | 106.1 | 160.1 | -76 | -92 | -172.6 | 0 | 0 | 108.7 | ||||
| 1157 | C | 22.2 | Very low | 23 | Very low | 114 Ų | 114 | 135 Ų | 135 | 77% | 0.77 | 78% | 0.781 | S | S | * | * | trans | -103.5 | 85.9 | 162.5 | -93.4 | 0 | 0 | 0 | 0 | 108.2 | T1155 N1159 | T1155-C1157 PolarHBondContact O-N 2.91Å; T1155-C1157 VanDerWaalsContact O-N 3.08Å; C1157-N1159 PolarHBondContact O-N 2.99Å; C1157-N1159 VanDerWaalsContact O-N 3.13Å | ||
| 1158 | T | 22 | Very low | 23.3 | Very low | 117 Ų | 117 | 132.1 Ų | 132.1 | 72% | 0.718 | 78% | 0.775 | S | S | * | * | trans | -62.2 | 99.5 | 159.2 | 48.6 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1159 | N | 24.8 | Very low | 23.3 | Very low | 146 Ų | 146 | 132.9 Ų | 132.9 | 78% | 0.781 | 78% | 0.779 | S | S | * | * | trans | -155.6 | 64.9 | 164.6 | -87.2 | -36.3 | 0 | 0 | 0 | 109 | C1157 | C1157-N1159 PolarHBondContact O-N 2.99Å; C1157-N1159 VanDerWaalsContact O-N 3.13Å | ||
| 1160 | L | 23.6 | Very low | 23.6 | Very low | 173 Ų | 173 | 129.4 Ų | 129.4 | 91% | 0.906 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -98.5 | 121.3 | 153.5 | -111.1 | 92.5 | 0 | 0 | 0 | 107.9 | ||
| 1161 | P | 29 | Very low | 23.6 | Very low | 113 Ų | 113 | 131 Ų | 131 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 155.5 | -179.4 | 27.9 | -31.5 | 0 | 0 | 0 | 111.4 | ||
| 1162 | P | 29.6 | Very low | 23.8 | Very low | 112 Ų | 112 | 131.5 Ų | 131.5 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 150.9 | -165.5 | 28.6 | -34.1 | 0 | 0 | 0 | 113 | I1164 | P1162-I1164 PolarHBondContact O-N 3.17Š|
| 1163 | P | 25.4 | Very low | 23.7 | Very low | 125 Ų | 125 | 129.3 Ų | 129.3 | 81% | 0.812 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 123 | -176.5 | 28.8 | -31.9 | 0 | 0 | 0 | 110.1 | S1165 | P1163-S1165 PolarHBondContact O-N 2.88Å; P1163-S1165 VanDerWaalsContact O-N 3.1Å |
| 1164 | I | 24 | Very low | 23.8 | Very low | 169 Ų | 169 | 128.2 Ų | 128.2 | 87% | 0.867 | 77% | 0.771 | S | S | * | * | trans | -65.6 | 110.1 | 172.8 | -64.4 | 165.3 | 0 | 0 | 0 | 107.4 | P1162 | P1162-I1164 PolarHBondContact O-N 3.17Š| ||
| 1165 | S | 21.1 | Very low | 24 | Very low | 98 Ų | 98 | 129.6 Ų | 129.6 | 69% | 0.685 | 78% | 0.776 | S | S | * | * | trans | -74.1 | 125.2 | 158.6 | 46.7 | 0 | 0 | 0 | 0 | 108 | P1163 | P1163-S1165 PolarHBondContact O-N 2.88Å; P1163-S1165 VanDerWaalsContact O-N 3.1Å | ||
| 1166 | N | 23.6 | Very low | 24.4 | Very low | 132 Ų | 132 | 127.6 Ų | 127.6 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | trans | -179.1 | 115.8 | 140.3 | -95 | -21.2 | 0 | 0 | 0 | 111.3 | ||||
| 1167 | N | 23.2 | Very low | 25.2 | Very low | 129 Ų | 129 | 125.1 Ų | 125.1 | 69% | 0.69 | 75% | 0.754 | S | S | * | * | 73 | 128.5 | 129.1 | -62.8 | -15.5 | 0 | 0 | 0 | 121 | |||||
| 1168 | N | 25.8 | Very low | 26.2 | Very low | 140 Ų | 140 | 130.2 Ų | 130.2 | 75% | 0.749 | 76% | 0.757 | S | S | * | * | trans | 93.6 | 86.6 | 148.9 | -57.9 | -11.5 | 0 | 0 | 0 | 117.1 | G1170 | N1168-G1170 PolarHBondContact O-N 3.39Š| ||
| 1169 | D | 22.5 | Very low | 27.9 | Very low | 161 Ų | 161 | 128.3 Ų | 128.3 | 86% | 0.861 | 74% | 0.742 | S | S | * | * | 31.4 | 77.3 | 118.1 | -62.9 | -29.6 | 0 | 0 | 0 | 116.6 | |||||
| 1170 | G | 25.3 | Very low | 29.8 | Very low | 68 Ų | 68 | 123.4 Ų | 123.4 | 70% | 0.701 | 72% | 0.719 | S | S | * | * | trans | -114.1 | 83.7 | 149.2 | 0 | 0 | 0 | 0 | 0 | 108 | N1168 P1172 | N1168-G1170 PolarHBondContact O-N 3.39Å; G1170-P1172 WeakPolarHBondContact O-CD 3.36Å; G1170-P1172 VanDerWaalsContact O-N 3.12Å | ||
| 1171 | V | 21.9 | Very low | 32 | Very low | 128 Ų | 128 | 115.7 Ų | 115.7 | 78% | 0.776 | 68% | 0.68 | S | S | * | * | trans | -51.8 | 118.4 | 173.7 | 175.1 | 0 | 0 | 0 | 0 | 108.1 | A1173 | V1171-A1173 PolarHBondContact O-N 2.9Š| ||
| 1172 | P | 23.7 | Very low | 34.1 | Very low | 115 Ų | 115 | 114.9 Ų | 114.9 | 75% | 0.747 | 66% | 0.664 | S | S | * | * | trans | -67.5 | 127.1 | 179.4 | 26 | -30 | 0 | 0 | 0 | 108.2 | G1170 S1174 | G1170-P1172 WeakPolarHBondContact O-CD 3.36Å; G1170-P1172 VanDerWaalsContact O-N 3.12Å; P1172-S1174 PolarHBondContact O-N 2.96Å | ||
| 1173 | A | 22.6 | Very low | 36.3 | Very low | 91 Ų | 91 | 109.5 Ų | 109.5 | 75% | 0.752 | 63% | 0.63 | S | S | * | * | trans | -39.7 | 127 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | V1171 I1175 | V1171-A1173 PolarHBondContact O-N 2.9Å; A1173-I1175 PolarHBondContact O-N 3.45Å | ||
| 1174 | S | 24.2 | Very low | 39 | Very low | 101 Ų | 101 | 104.6 Ų | 104.6 | 71% | 0.706 | 60% | 0.596 | S | S | * | * | trans | -42.2 | 120.5 | 174.2 | 47.7 | 0 | 0 | 0 | 0 | 112.8 | P1172 S1176 | P1172-S1174 PolarHBondContact O-N 2.96Å; S1174-S1176 PolarHBondContact O-N 3.3Å | ||
| 1175 | I | 26.5 | Very low | 41.7 | Very low | 174 Ų | 174 | 97.2 Ų | 97.2 | 89% | 0.892 | 56% | 0.558 | S | S | * | * | trans | -72.6 | 16 | 178.3 | -73.9 | 167.4 | 0 | 0 | 0 | 112.7 | A1173 E1177 | A1173-I1175 PolarHBondContact O-N 3.45Å; I1175-E1177 PolarHBondContact O-N 2.81Å | ||
| 1176 | S | 31.3 | Very low | 44.5 | Very low | 93 Ų | 93 | 95.3 Ų | 95.3 | 65% | 0.65 | 54% | 0.539 | S | S | * | . | trans | -86.5 | 3 | -161.6 | 46.4 | 0 | 0 | 0 | 0 | 118.5 | S1174 | S1174-S1176 PolarHBondContact O-N 3.3Š| ||
| 1177 | E | 38.1 | Very low | 47 | Very low | 128 Ų | 128 | 89.4 Ų | 89.4 | 60% | 0.598 | 51% | 0.508 | S | S | * | . | trans | -131.1 | -2.2 | -171.8 | -74.9 | -176 | -175.1 | 0 | 0 | 118.6 | I1175 N1179 | I1175-E1177 PolarHBondContact O-N 2.81Å; E1177-N1179 PolarHBondContact O-N 3.33Å | ||
| 1178 | R | 42.8 | Very low | 49 | Very low | 222 Ų | 222 | 89.3 Ų | 89.3 | 84% | 0.838 | 51% | 0.507 | S | S | * | . | trans | -83.8 | 82.8 | 177.6 | -73.6 | -167.9 | -173.8 | 174.3 | 3.4 | 111.9 | S1180 | R1178-S1180 PolarHBondContact O-N 2.85Š| ||
| 1179 | N | 56.5 | Low | 50.2 | Low | 77 Ų | 77 | 89.9 Ų | 89.9 | 41% | 0.412 | 51% | 0.505 | S | S | . | . | trans | -74 | 30.5 | 169.6 | -71 | -36.2 | 0 | 0 | 0 | 113.5 | Y1097 L1098 E1177 | Y1097-N1179 HydrophobicContact CE1-CB 4.45Å; L1098-N1179 HydrophobicContact CD1-CB 4.15Å; L1098-N1179 VanDerWaalsContact CD1-ND2 3.32Å; L1098-N1179 WeakPolarHBondContact CD1-ND2 3.48Å; E1177-N1179 PolarHBondContact O-N 3.33Å | ||
| 1180 | S | 65.9 | Low | 51.1 | Low | 43 Ų | 43 | 91.4 Ų | 91.4 | 30% | 0.301 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 133.9 | -178.9 | -179 | 0 | 0 | 0 | 0 | 110.6 | W1095 R1178 | W1095-S1180 VanDerWaalsContact O-CA 3.29Å; W1095-S1180 WeakPolarHBondContact O-CA 3.26Å; R1178-S1180 PolarHBondContact O-N 2.85Å |
| 1181 | V | 69.1 | Low | 51.7 | Low | 11 Ų | 11 | 97.3 Ų | 97.3 | 7% | 0.067 | 51% | 0.51 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 130.6 | 177.5 | 179.2 | 0 | 0 | 0 | 0 | 109.5 | L744 L747 L751 W1095 | L744-V1181 HydrophobicContact CD2-CB 4.16Å; L744-V1181 HydrophobicContact CD2-CG2 3.78Å; L747-V1181 HydrophobicContact CD2-CG1 3.92Å; L751-V1181 HydrophobicContact CD1-CG1 4.47Å; W1095-V1181 PolarHBondContact N-O 3.48Å; W1095-V1181 PolarHBondContact O-N 2.96Å |
| 1182 | K | 72.8 | Confident | 52.1 | Low | 95 Ų | 95 | 97.9 Ų | 97.9 | 41% | 0.413 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 128.8 | 171.6 | -69.9 | -178.1 | 173.7 | -172.7 | 0 | 109.7 | L761 F1093 E1094 | L761-K1182 HydrophobicContact CD2-CB 3.51Å; F1093-K1182 WeakPolarHBondContact O-CA 3.49Å; E1094-K1182 HydrophobicContact CG-CG 3.56Å; E1094-K1182 WeakPolarHBondContact OE1-CE 3.08Å; E1094-K1182 IonicContact OE1-NZ 2.94Å |
| 1183 | G | 76.2 | Confident | 52.4 | Low | 0 Ų | 0 | 99.1 Ų | 99.1 | 0% | 0 | 51% | 0.509 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 164.1 | 180 | 0 | 0 | 0 | 0 | 0 | 112 | F1093 | F1093-G1183 PolarHBondContact N-O 3.15Å; F1093-G1183 VanDerWaalsContact N-O 3.1Å; F1093-G1183 PolarHBondContact O-N 2.65Å |
| 1184 | K | 81.7 | Confident | 52.8 | Low | 22 Ų | 22 | 100.5 Ų | 100.5 | 10% | 0.096 | 51% | 0.513 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 155.5 | 171 | 67 | 175.4 | 176 | -177.3 | 0 | 112.1 | L761 P762 E763 F764 L979 E1030 L1091 L1186 | L761-K1184 HydrophobicContact CB-CB 4.22Å; L761-K1184 HydrophobicContact CB-CD 3.91Å; L761-K1184 HydrophobicContact CB-CG 3.83Å; L761-K1184 HydrophobicContact CD1-CB 4.45Å; L761-K1184 VanDerWaalsContact O-CE 3.24Å; L761-K1184 WeakPolarHBondContact O-CE 3.36Å; P762-K1184 PolarHBondContact O-N 3.07Å; E763-K1184 WeakPolarHBondContact CA-O 3.4Å; F764-K1184 PolarHBondContact N-O 3.04Å; L979-K1184 HydrophobicContact CD1-CB 3.96Å; L979-K1184 HydrophobicContact CD1-CD 4.18Å; E1030-K1184 IonicContact OE2-NZ 2.61Å; L1091-K1184 CarbonylContact O-C 2.95Å; L1091-K1184 VanDerWaalsContact O-CA 3.26Å; L1091-K1184 WeakPolarHBondContact O-CA 3.3Å; K1184-L1186 HydrophobicContact CD-CD2 4.24Å; K1184-L1186 HydrophobicContact CD-CG 4.48Å |
| 1185 | I | 80.5 | Confident | 53.4 | Low | 14 Ų | 14 | 102 Ų | 102 | 7% | 0.072 | 51% | 0.512 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 121.7 | 168.5 | -63 | 167.1 | 0 | 0 | 0 | 107.8 | P767 I769 G1090 L1091 F1093 | P767-I1185 VanDerWaalsContact CD-CD1 3.48Å; P767-I1185 HydrophobicContact CG-CD1 4.31Å; P767-I1185 WeakPolarHBondContact O-CD1 3.49Å; I769-I1185 HydrophobicContact CD1-CB 4.4Å; I769-I1185 HydrophobicContact CD1-CG2 3.4Å; I769-I1185 HydrophobicContact CG1-CG2 4.11Å; G1090-I1185 CarbonylContact C-O 3.55Å; G1090-I1185 WeakPolarHBondContact CA-O 3.37Å; L1091-I1185 PolarHBondContact N-O 2.94Å; L1091-I1185 PolarHBondContact O-N 2.72Å; F1093-I1185 HydrophobicContact CE1-CD1 3.6Å; F1093-I1185 HydrophobicContact CE1-CG1 3.74Å; F1093-I1185 HydrophobicContact CZ-CD1 3.9Å; F1093-I1185 HydrophobicContact CZ-CG1 4.03Å |
| 1186 | L | 80 | Confident | 53.8 | Low | 58 Ų | 58 | 101.8 Ų | 101.8 | 30% | 0.304 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 139.7 | 178 | -63.7 | 174.6 | 0 | 0 | 0 | 110.1 | K1184 | K1184-L1186 HydrophobicContact CD-CD2 4.24Å; K1184-L1186 HydrophobicContact CD-CG 4.48Å |
| 1187 | F | 76.9 | Confident | 54 | Low | 8 Ų | 8 | 102.3 Ų | 102.3 | 4% | 0.035 | 51% | 0.508 | C | S | . | . | S | Bend | trans | -78.9 | -25.4 | 176.2 | -58.9 | -28.8 | 0 | 0 | 0 | 112.2 | I769 F774 I961 L978 I1088 T1089 L1091 H1189 L1203 L1205 | I769-F1187 HydrophobicContact CD1-CD1 3.46Å; I769-F1187 VanDerWaalsContact CD1-CD1 3.46Å; I769-F1187 HydrophobicContact CD1-CE1 3.44Å; I769-F1187 VanDerWaalsContact CD1-CE1 3.44Å; F774-F1187 HydrophobicContact CE2-CD2 4.27Å; F774-F1187 HydrophobicContact CE2-CE1 4.49Å; F774-F1187 HydrophobicContact CE2-CE2 4.02Å; F774-F1187 HydrophobicContact CE2-CZ 4.15Å; F774-F1187 HydrophobicContact CZ-CD2 4.36Å; F774-F1187 HydrophobicContact CZ-CE2 4.23Å; I961-F1187 HydrophobicContact CD1-CE1 4.1Å; I961-F1187 HydrophobicContact CD1-CE2 4.43Å; I961-F1187 HydrophobicContact CD1-CZ 3.5Å; I961-F1187 VanDerWaalsContact CD1-CZ 3.5Å; I961-F1187 HydrophobicContact CG1-CZ 4.48Å; L978-F1187 HydrophobicContact CD2-CE2 4.39Å; L978-F1187 HydrophobicContact CD2-CZ 4.31Å; I1088-F1187 HydrophobicContact CG2-CD2 3.98Å; I1088-F1187 HydrophobicContact CG2-CE2 3.55Å; T1089-F1187 PolarHBondContact O-N 3.33Å; L1091-F1187 HydrophobicContact CD1-CE1 4.16Å; L1091-F1187 HydrophobicContact CD1-CZ 4.34Å; L1091-F1187 HydrophobicContact CD2-CZ 4.48Å; L1091-F1187 HydrophobicContact CG-CE1 3.93Å; L1091-F1187 HydrophobicContact CG-CZ 3.78Å; F1187-H1189 PolarHBondContact O-N 3.42Å; F1187-H1189 VanDerWaalsContact O-N 3.16Å; F1187-L1203 HydrophobicContact CB-CD1 4.35Å; F1187-L1205 HydrophobicContact CB-CD1 3.95Å; F1187-L1205 HydrophobicContact CB-CD2 4.19Å; F1187-L1205 HydrophobicContact CD2-CD2 3.72Å; F1187-L1205 HydrophobicContact CG-CD2 4.39Å |
| 1188 | N | 64 | Low | 54 | Low | 127 Ų | 127 | 104.7 Ų | 104.7 | 68% | 0.679 | 53% | 0.525 | S | S | * | . | trans | -87.8 | 84.3 | -175.5 | -144 | -1.5 | 0 | 0 | 0 | 110 | K1190 | N1188-K1190 PolarHBondContact O-N 3.02Š| ||
| 1189 | H | 51.3 | Low | 54 | Low | 151 Ų | 151 | 98.3 Ų | 98.3 | 70% | 0.699 | 52% | 0.515 | S | S | * | . | trans | -71.7 | 103.8 | 175.6 | -150.2 | -50.3 | 0 | 0 | 0 | 108.4 | F1187 K1191 | F1187-H1189 PolarHBondContact O-N 3.42Å; F1187-H1189 VanDerWaalsContact O-N 3.16Å; H1189-K1191 VanDerWaalsContact C-N 3.33Å; H1189-K1191 PolarHBondContact O-N 3.01Å | ||
| 1190 | K | 41.4 | Very low | 53.6 | Low | 193 Ų | 193 | 100 Ų | 100 | 84% | 0.839 | 53% | 0.527 | S | S | * | . | trans | -57.5 | 98.5 | 167.2 | -78.3 | -178.3 | 177.8 | 177 | 0 | 107.7 | N1188 N1192 | N1188-K1190 PolarHBondContact O-N 3.02Å; K1190-N1192 PolarHBondContact O-N 3.45Å | ||
| 1191 | K | 38.7 | Very low | 52.9 | Low | 193 Ų | 193 | 101.4 Ų | 101.4 | 84% | 0.839 | 53% | 0.531 | S | S | * | . | trans | -76.5 | 101.5 | 165.9 | -92.8 | -172.5 | 174.9 | -176.8 | 0 | 107.3 | H1189 | H1189-K1191 VanDerWaalsContact C-N 3.33Å; H1189-K1191 PolarHBondContact O-N 3.01Å | ||
| 1192 | N | 29.6 | Very low | 52.6 | Low | 139 Ų | 139 | 109.9 Ų | 109.9 | 74% | 0.743 | 56% | 0.561 | S | S | * | * | trans | -58.3 | 141.6 | 151.4 | -75.2 | -18.9 | 0 | 0 | 0 | 108 | K1190 | K1190-N1192 PolarHBondContact O-N 3.45Š| ||
| 1193 | N | 30.3 | Very low | 52.3 | Low | 142 Ų | 142 | 106.6 Ų | 106.6 | 76% | 0.759 | 55% | 0.548 | S | S | * | . | S | Bend | trans | 91.8 | 96.1 | 170.8 | -52.9 | -18.1 | 0 | 0 | 0 | 116.6 | I1195 | N1193-I1195 PolarHBondContact O-N 3.03Š|
| 1194 | S | 30.8 | Very low | 52.1 | Low | 120 Ų | 120 | 106.6 Ų | 106.6 | 84% | 0.839 | 55% | 0.548 | S | S | * | . | 15.8 | 89.5 | 119.6 | 164.4 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 1195 | I | 36.2 | Very low | 52 | Low | 133 Ų | 133 | 106.3 Ų | 106.3 | 68% | 0.682 | 55% | 0.548 | S | S | * | . | trans | -156.7 | 132.5 | 147.6 | -85.1 | 127.7 | 0 | 0 | 0 | 106.2 | N1193 D1197 | N1193-I1195 PolarHBondContact O-N 3.03Å; I1195-D1197 PolarHBondContact O-N 2.72Å | ||
| 1196 | N | 35.2 | Very low | 52.2 | Low | 169 Ų | 169 | 109.3 Ų | 109.3 | 90% | 0.904 | 56% | 0.564 | S | S | * | * | trans | -70 | 44.3 | -172.3 | -103.7 | -4.4 | 0 | 0 | 0 | 114.7 | N1198 | N1196-N1198 PolarHBondContact O-N 2.78Š| ||
| 1197 | D | 35.2 | Very low | 52.4 | Low | 103 Ų | 103 | 106.6 Ų | 106.6 | 55% | 0.551 | 55% | 0.55 | S | S | * | . | trans | -87.4 | 106.3 | -179.8 | -71.7 | -19 | 0 | 0 | 0 | 111 | I1195 S1199 | I1195-D1197 PolarHBondContact O-N 2.72Å; D1197-S1199 PolarHBondContact O-N 2.79Å | ||
| 1198 | N | 39 | Very low | 52.7 | Low | 179 Ų | 179 | 107.6 Ų | 107.6 | 96% | 0.957 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.9 | 8.4 | 169.8 | -87.5 | -19.9 | 0 | 0 | 0 | 114.6 | N1196 | N1196-N1198 PolarHBondContact O-N 2.78Š|
| 1199 | S | 42.7 | Very low | 53.6 | Low | 88 Ų | 88 | 102.2 Ų | 102.2 | 62% | 0.615 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.2 | 23.6 | 177 | 74.6 | 0 | 0 | 0 | 0 | 113.2 | D1197 I1201 | D1197-S1199 PolarHBondContact O-N 2.79Å; S1199-I1201 VanDerWaalsContact C-N 3.34Å; S1199-I1201 PolarHBondContact O-N 2.94Å |
| 1200 | V | 47.3 | Very low | 54.9 | Low | 112 Ų | 112 | 97 Ų | 97 | 68% | 0.679 | 51% | 0.508 | S | S | * | . | trans | -62.1 | 99.1 | 175 | -176.9 | 0 | 0 | 0 | 0 | 108.6 | R1202 | V1200-R1202 HydrophobicContact CG1-CG 4.46Å; V1200-R1202 PolarHBondContact O-N 3.08Å | ||
| 1201 | I | 52.6 | Low | 56.5 | Low | 72 Ų | 72 | 94.3 Ų | 94.3 | 37% | 0.369 | 50% | 0.498 | S | S | . | . | trans | -60.4 | 101.1 | 173 | -64.3 | 176.7 | 0 | 0 | 0 | 107.3 | P941 S1199 L1203 | P941-I1201 HydrophobicContact CB-CG2 3.12Å; P941-I1201 HydrophobicContact CG-CG2 4.18Å; S1199-I1201 VanDerWaalsContact C-N 3.34Å; S1199-I1201 PolarHBondContact O-N 2.94Å; I1201-L1203 PolarHBondContact O-N 3.29Å | ||
| 1202 | R | 62.1 | Low | 58 | Low | 189 Ų | 189 | 86.9 Ų | 86.9 | 71% | 0.713 | 47% | 0.47 | S | S | * | . | trans | -84 | 110 | 175.5 | -73.1 | -174 | -180 | 174.4 | 0.7 | 108.6 | V1200 | V1200-R1202 HydrophobicContact CG1-CG 4.46Å; V1200-R1202 PolarHBondContact O-N 3.08Å | ||
| 1203 | L | 66.6 | Low | 60 | Low | 26 Ų | 26 | 81.4 Ų | 81.4 | 14% | 0.136 | 44% | 0.441 | C | S | . | . | trans | -69.8 | 132.6 | 170.6 | -67.1 | 157.2 | 0 | 0 | 0 | 108.3 | L771 F774 P941 F1187 I1201 L1205 | L771-L1203 HydrophobicContact CD1-CD1 4.5Å; L771-L1203 HydrophobicContact CD2-CD1 3.74Å; L771-L1203 HydrophobicContact CD2-CD2 4.19Å; F774-L1203 HydrophobicContact CB-CD2 3.91Å; F774-L1203 HydrophobicContact CD1-CD2 3.58Å; F774-L1203 HydrophobicContact CD2-CD2 4.34Å; F774-L1203 HydrophobicContact CE1-CD2 4.12Å; F774-L1203 HydrophobicContact CG-CD2 3.7Å; P941-L1203 HydrophobicContact CB-CD2 4.36Å; P941-L1203 HydrophobicContact CG-CD2 4.15Å; F1187-L1203 HydrophobicContact CB-CD1 4.35Å; I1201-L1203 PolarHBondContact O-N 3.29Å; L1203-L1205 HydrophobicContact CB-CD1 4.19Å; L1203-L1205 HydrophobicContact CB-CD2 3.93Å; L1203-L1205 HydrophobicContact CB-CG 3.75Å; L1203-L1205 PolarHBondContact O-N 3.35Å | ||
| 1204 | P | 72.8 | Confident | 62.1 | Low | 1 Ų | 1 | 75.3 Ų | 75.3 | 1% | 0.006 | 41% | 0.409 | C | S | . | . | trans | -76 | 70.8 | 177.7 | 30.8 | -33.9 | 0 | 0 | 0 | 110.1 | I776 Y945 W1207 | I776-P1204 HydrophobicContact CD1-CG 4.11Å; I776-P1204 WeakPolarHBondContact CD1-O 3.39Å; Y945-P1204 HydrophobicContact CE1-CB 4.03Å; P1204-W1207 PolarHBondContact O-NE1 3.02Å | ||
| 1205 | L | 79.1 | Confident | 64.3 | Low | 15 Ų | 15 | 70.7 Ų | 70.7 | 8% | 0.079 | 38% | 0.377 | C | S | . | . | trans | -83.6 | -25 | -176 | -61.2 | -179.9 | 0 | 0 | 0 | 112.8 | F774 T1087 I1088 F1187 L1203 | F774-L1205 HydrophobicContact CE1-CD2 4.44Å; F774-L1205 HydrophobicContact CZ-CD2 4.12Å; T1087-L1205 CarbonylContact C-O 3.51Å; T1087-L1205 WeakPolarHBondContact CA-O 3.49Å; I1088-L1205 HydrophobicContact CB-CD2 4.39Å; I1088-L1205 PolarHBondContact N-O 3.45Å; I1088-L1205 WeakPolarHBondContact O-CB 3.36Å; F1187-L1205 HydrophobicContact CB-CD1 3.95Å; F1187-L1205 HydrophobicContact CB-CD2 4.19Å; F1187-L1205 HydrophobicContact CD2-CD2 3.72Å; F1187-L1205 HydrophobicContact CG-CD2 4.39Å; L1203-L1205 HydrophobicContact CB-CD1 4.19Å; L1203-L1205 HydrophobicContact CB-CD2 3.93Å; L1203-L1205 HydrophobicContact CB-CG 3.75Å; L1203-L1205 PolarHBondContact O-N 3.35Å | ||
| 1206 | D | 83.7 | Confident | 66.4 | Low | 78 Ų | 78 | 64.8 Ų | 64.8 | 42% | 0.417 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 127.5 | -174.3 | -51.9 | -38.1 | 0 | 0 | 0 | 111.8 | M948 P949 T1087 | M948-D1206 HydrophobicContact CG-CB 4.48Å; M948-D1206 HydrophobicContact SD-CB 3.92Å; P949-D1206 WeakPolarHBondContact CD-O 3.24Å; P949-D1206 VanDerWaalsContact CG-O 3.26Å; P949-D1206 WeakPolarHBondContact CG-O 2.94Å; T1087-D1206 VanDerWaalsContact CB-OD1 3.23Å; T1087-D1206 WeakPolarHBondContact CB-OD1 3.23Å; T1087-D1206 HydrophobicContact CG2-CB 4.15Å; T1087-D1206 WeakPolarHBondContact CG2-OD1 2.97Å |
| 1207 | W | 85.5 | Confident | 68.4 | Low | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 137.1 | -173.1 | -72 | 79.7 | 0 | 0 | 0 | 111.5 | I776 I778 Y939 P949 F951 L957 Q1085 I1086 P1204 | I776-W1207 HydrophobicContact CB-CZ2 3.93Å; I776-W1207 HydrophobicContact CD1-CZ2 4.19Å; I776-W1207 HydrophobicContact CG2-CH2 4.11Å; I776-W1207 HydrophobicContact CG2-CZ2 3.47Å; I776-W1207 VanDerWaalsContact CG2-CZ2 3.47Å; I778-W1207 HydrophobicContact CD1-CH2 4.4Å; I778-W1207 HydrophobicContact CD1-CZ3 4.04Å; I778-W1207 HydrophobicContact CG1-CH2 4.3Å; I778-W1207 HydrophobicContact CG1-CZ3 4.22Å; Y939-W1207 AromaticContact CD2-CH2 3.28Å; Y939-W1207 HydrophobicContact CD2-CH2 3.28Å; Y939-W1207 AromaticContact CD2-CZ2 3.85Å; Y939-W1207 HydrophobicContact CD2-CZ2 3.85Å; Y939-W1207 HydrophobicContact CD2-CZ3 4.29Å; Y939-W1207 AromaticContact CE2-CH2 3.34Å; Y939-W1207 HydrophobicContact CE2-CH2 3.34Å; Y939-W1207 HydrophobicContact CE2-CZ2 4.27Å; Y939-W1207 AromaticContact CE2-CZ3 3.91Å; Y939-W1207 HydrophobicContact CE2-CZ3 3.91Å; Y939-W1207 AromaticContact CG-CH2 3.92Å; Y939-W1207 HydrophobicContact CG-CH2 3.92Å; Y939-W1207 HydrophobicContact CG-CZ2 4.05Å; P949-W1207 HydrophobicContact CB-CD2 4.08Å; P949-W1207 HydrophobicContact CB-CE3 3.77Å; P949-W1207 HydrophobicContact CB-CH2 4.01Å; P949-W1207 HydrophobicContact CB-CZ2 4.21Å; P949-W1207 HydrophobicContact CB-CZ3 3.75Å; P949-W1207 HydrophobicContact CG-CD2 3.87Å; P949-W1207 HydrophobicContact CG-CE3 4.08Å; P949-W1207 HydrophobicContact CG-CG 4.34Å; P949-W1207 HydrophobicContact CG-CZ2 4.23Å; P949-W1207 HydrophobicContact CG-CZ3 4.42Å; P949-W1207 WeakPolarHBondContact O-CA 3.32Å; F951-W1207 HydrophobicContact CB-CE3 4.13Å; F951-W1207 HydrophobicContact CB-CZ3 4.16Å; F951-W1207 HydrophobicContact CD1-CB 4.1Å; F951-W1207 HydrophobicContact CD1-CD2 4.45Å; F951-W1207 AromaticContact CD1-CE3 3.93Å; F951-W1207 HydrophobicContact CD1-CE3 3.93Å; F951-W1207 HydrophobicContact CE1-CB 4.17Å; F951-W1207 HydrophobicContact CG-CE3 4.46Å; L957-W1207 HydrophobicContact CD1-CD2 4.11Å; L957-W1207 HydrophobicContact CD1-CE3 4.06Å; L957-W1207 HydrophobicContact CD1-CH2 3.85Å; L957-W1207 HydrophobicContact CD1-CZ2 4.01Å; L957-W1207 HydrophobicContact CD1-CZ3 3.91Å; L957-W1207 HydrophobicContact CD2-CB 4.49Å; L957-W1207 HydrophobicContact CD2-CD2 4.01Å; L957-W1207 HydrophobicContact CD2-CG 3.93Å; Q1085-W1207 CarbonylContact C-O 3.49Å; Q1085-W1207 WeakPolarHBondContact CA-O 3.41Å; Q1085-W1207 WeakPolarHBondContact CG-O 3.37Å; I1086-W1207 PolarHBondContact N-O 2.85Å; I1086-W1207 PolarHBondContact O-N 2.77Å; P1204-W1207 PolarHBondContact O-NE1 3.02Å |
| 1208 | S | 82 | Confident | 70.6 | Confident | 30 Ų | 30 | 55.2 Ų | 55.2 | 21% | 0.21 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 138 | 169.4 | 46.8 | 0 | 0 | 0 | 0 | 111.8 | P949 T950 F951 | P949-S1208 PolarHBondContact O-N 3.2Å; T950-S1208 CarbonylContact C-O 3.45Å; T950-S1208 WeakPolarHBondContact CA-O 3.25Å; T950-S1208 WeakPolarHBondContact CG2-OG 2.86Å; F951-S1208 PolarHBondContact N-O 3.05Å |
| 1209 | I | 84 | Confident | 72.6 | Confident | 14 Ų | 14 | 49.3 Ų | 49.3 | 7% | 0.072 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 127.2 | 179.9 | -62.9 | 142.4 | 0 | 0 | 0 | 108.9 | F951 L953 F982 A1080 L1083 G1084 I1086 | F951-I1209 HydrophobicContact CD1-CG1 4.3Å; F951-I1209 HydrophobicContact CE1-CD1 4.47Å; F951-I1209 HydrophobicContact CE1-CG1 3.53Å; F951-I1209 HydrophobicContact CE2-CG1 4.48Å; F951-I1209 HydrophobicContact CZ-CD1 4.41Å; F951-I1209 HydrophobicContact CZ-CG1 3.65Å; F951-I1209 WeakPolarHBondContact O-CA 3.23Å; L953-I1209 HydrophobicContact CB-CG2 3.97Å; L953-I1209 HydrophobicContact CD1-CG2 3.8Å; F982-I1209 HydrophobicContact CD2-CD1 4.06Å; F982-I1209 HydrophobicContact CE2-CD1 3.43Å; F982-I1209 VanDerWaalsContact CE2-CD1 3.43Å; F982-I1209 HydrophobicContact CZ-CD1 4.42Å; A1080-I1209 HydrophobicContact CB-CD1 3.43Å; A1080-I1209 VanDerWaalsContact CB-CD1 3.43Å; A1080-I1209 HydrophobicContact CB-CG1 3.71Å; A1080-I1209 HydrophobicContact CB-CG2 4.19Å; L1083-I1209 HydrophobicContact CD2-CG2 4.01Å; G1084-I1209 WeakPolarHBondContact O-CB 3.45Å; G1084-I1209 PolarHBondContact O-N 2.82Å; I1086-I1209 HydrophobicContact CD1-CD1 3.76Å; I1086-I1209 HydrophobicContact CD1-CG1 4.43Å; I1086-I1209 HydrophobicContact CG1-CD1 3.77Å |
| 1210 | T | 77.9 | Confident | 74.4 | Confident | 42 Ų | 42 | 45.1 Ų | 45.1 | 26% | 0.258 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 164 | 176.6 | 54.9 | 0 | 0 | 0 | 0 | 111.5 | T950 F951 L953 | T950-T1210 HydrophobicContact CG2-CG2 3.73Å; F951-T1210 PolarHBondContact O-N 2.82Å; F951-T1210 PolarHBondContact O-OG1 3.2Å; L953-T1210 WeakPolarHBondContact CB-O 3.29Å; L953-T1210 PolarHBondContact N-O 3.16Å |
| 1211 | H | 74.5 | Confident | 75.7 | Confident | 135 Ų | 135 | 41.5 Ų | 41.5 | 63% | 0.625 | 21% | 0.206 | S | C | * | . | P | Polyproline II helix | trans | -51.9 | 151.2 | 173.1 | -65.6 | 76.8 | 0 | 0 | 0 | 111.8 | V1213 | H1211-V1213 WeakPolarHBondContact O-CG2 3.33Š|
| 1212 | P | 70.2 | Confident | 76.6 | Confident | 38 Ų | 38 | 41.2 Ų | 41.2 | 25% | 0.247 | 21% | 0.211 | C | C | . | . | P | Polyproline II helix | trans | -53.1 | 144.7 | 179 | -22.5 | 30.5 | 0 | 0 | 0 | 111.7 | L953 L1244 I1245 | L953-P1212 HydrophobicContact CB-CG 4.12Å; L953-P1212 HydrophobicContact CD2-CG 4.05Å; P1212-L1244 HydrophobicContact CB-CB 4.13Å; P1212-L1244 HydrophobicContact CB-CD1 4.2Å; P1212-L1244 HydrophobicContact CG-CB 4.45Å; P1212-L1244 HydrophobicContact CG-CD1 3.93Å; P1212-I1245 VanDerWaalsContact C-CD1 3.47Å; P1212-I1245 HydrophobicContact CB-CD1 3.86Å; P1212-I1245 HydrophobicContact CB-CG1 4.13Å; P1212-I1245 WeakPolarHBondContact O-CD1 3.49Å |
| 1213 | V | 72.4 | Confident | 77.3 | Confident | 24 Ų | 24 | 33.5 Ų | 33.5 | 15% | 0.145 | 18% | 0.182 | C | C | . | . | trans | -123.9 | 148.5 | -177.5 | -167.8 | 0 | 0 | 0 | 0 | 108.5 | P952 H1211 S1215 | P952-V1213 HydrophobicContact CB-CB 4.37Å; P952-V1213 HydrophobicContact CB-CG2 3.92Å; P952-V1213 HydrophobicContact CG-CB 4.31Å; P952-V1213 HydrophobicContact CG-CG2 3.88Å; H1211-V1213 WeakPolarHBondContact O-CG2 3.33Å; V1213-S1215 PolarHBondContact O-N 3.09Å | ||
| 1214 | P | 73.7 | Confident | 77.6 | Confident | 13 Ų | 13 | 33.4 Ų | 33.4 | 8% | 0.084 | 18% | 0.183 | C | C | . | . | trans | -46.7 | 128.3 | 173.7 | -36.2 | 40.5 | 0 | 0 | 0 | 112.9 | L1247 Y1411 R1430 | P1214-L1247 HydrophobicContact CB-CD2 3.5Å; P1214-L1247 HydrophobicContact CG-CD2 4.31Å; P1214-Y1411 HydrophobicContact CB-CD2 4.04Å; P1214-Y1411 HydrophobicContact CB-CE2 3.84Å; P1214-Y1411 WeakPolarHBondContact O-CE2 3.47Å; P1214-R1430 WeakPolarHBondContact O-CD 3.17Å; P1214-R1430 PolarHBondContact O-NH1 3.13Å | ||
| 1215 | S | 77 | Confident | 77.4 | Confident | 23 Ų | 23 | 37.5 Ų | 37.5 | 16% | 0.161 | 21% | 0.212 | C | C | . | . | trans | -138.8 | 110.9 | -177.5 | -156.5 | 0 | 0 | 0 | 0 | 111.1 | E955 V1213 N1241 S1242 G1243 | E955-S1215 PolarHBondContact OE1-OG 2.94Å; E955-S1215 VanDerWaalsContact OE1-OG 3.12Å; V1213-S1215 PolarHBondContact O-N 3.09Å; S1215-N1241 PolarHBondContact O-OD1 3.27Å; S1215-N1241 VanDerWaalsContact O-OD1 3.11Å; S1215-S1242 PolarHBondContact O-N 2.84Å; S1215-G1243 PolarHBondContact O-N 2.7Å; S1215-G1243 VanDerWaalsContact O-N 3.15Å | ||
| 1216 | L | 80.1 | Confident | 77 | Confident | 10 Ų | 10 | 40.3 Ų | 40.3 | 5% | 0.052 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 133.8 | 178.5 | -176.3 | 71.2 | 0 | 0 | 0 | 109.5 | V1218 L1239 L1247 L1250 L1309 F1409 Y1411 V1432 | L1216-V1218 HydrophobicContact CD2-CG2 4.09Å; L1216-V1218 HydrophobicContact CG-CG2 4.23Å; L1216-L1239 HydrophobicContact CD1-CB 4.44Å; L1216-L1247 HydrophobicContact CB-CD1 3.9Å; L1216-L1247 HydrophobicContact CD1-CD1 3.88Å; L1216-L1247 HydrophobicContact CG-CD1 4.48Å; L1216-L1250 HydrophobicContact CD1-CD2 4.39Å; L1216-L1250 HydrophobicContact CD2-CD2 4.04Å; L1216-L1309 HydrophobicContact CD1-CD2 3.74Å; L1216-F1409 HydrophobicContact CD2-CB 4.32Å; L1216-Y1411 HydrophobicContact CB-CD1 3.86Å; L1216-Y1411 HydrophobicContact CB-CD2 4Å; L1216-Y1411 HydrophobicContact CB-CE1 3.76Å; L1216-Y1411 HydrophobicContact CB-CE2 3.86Å; L1216-Y1411 HydrophobicContact CB-CG 4Å; L1216-Y1411 HydrophobicContact CD2-CD1 3.85Å; L1216-Y1411 HydrophobicContact CD2-CE1 4.36Å; L1216-Y1411 HydrophobicContact CD2-CG 4.19Å; L1216-V1432 WeakPolarHBondContact O-CG2 2.99Å |
| 1217 | R | 78.3 | Confident | 76.2 | Confident | 71 Ų | 71 | 36.7 Ų | 36.7 | 27% | 0.268 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 133.2 | 171.4 | -169.8 | -178.4 | -66.4 | 146.5 | 7.7 | 109.4 | E794 F1219 L1239 T1240 S1242 | E794-R1217 HydrophobicContact CG-CG 3.97Å; E794-R1217 WeakPolarHBondContact OE1-CD 3.2Å; E794-R1217 WeakPolarHBondContact OE1-CG 3.33Å; E794-R1217 IonicContact OE1-NE 3.82Å; E794-R1217 PolarHBondContact OE1-NE 2.8Å; R1217-F1219 HydrophobicContact CG-CD2 4.18Å; R1217-F1219 HydrophobicContact CG-CE2 3.66Å; R1217-F1219 HydrophobicContact CG-CZ 4.04Å; R1217-L1239 CarbonylContact O-C 3.49Å; R1217-L1239 WeakPolarHBondContact O-CA 3.42Å; R1217-T1240 PolarHBondContact N-O 2.69Å; R1217-T1240 PolarHBondContact O-N 2.75Å; R1217-S1242 WeakPolarHBondContact CB-OG 3.49Å; R1217-S1242 VanDerWaalsContact CZ-OG 3.29Å; R1217-S1242 PolarHBondContact NE-OG 2.77Å; R1217-S1242 PolarHBondContact NH2-OG 2.89Å |
| 1218 | V | 81.9 | Confident | 75.2 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 130.4 | -178.2 | 179.2 | 0 | 0 | 0 | 0 | 108.6 | E794 A795 L1216 F1220 I1237 L1239 F1409 V1432 | E794-V1218 CarbonylContact C-O 3.39Å; E794-V1218 VanDerWaalsContact CA-O 3.26Å; E794-V1218 WeakPolarHBondContact CA-O 3.47Å; A795-V1218 HydrophobicContact CB-CB 3.72Å; A795-V1218 HydrophobicContact CB-CG1 4.15Å; A795-V1218 HydrophobicContact CB-CG2 4.37Å; A795-V1218 PolarHBondContact N-O 2.75Å; L1216-V1218 HydrophobicContact CD2-CG2 4.09Å; L1216-V1218 HydrophobicContact CG-CG2 4.23Å; V1218-F1220 HydrophobicContact CG1-CD2 4.4Å; V1218-F1220 HydrophobicContact CG1-CE2 3.8Å; V1218-F1220 HydrophobicContact CG1-CZ 4.19Å; V1218-I1237 HydrophobicContact CG1-CG2 3.99Å; V1218-L1239 HydrophobicContact CB-CD2 3.94Å; V1218-L1239 HydrophobicContact CG1-CD2 3.67Å; V1218-L1239 HydrophobicContact CG2-CD2 3.51Å; V1218-F1409 HydrophobicContact CB-CE2 4.47Å; V1218-F1409 HydrophobicContact CB-CZ 4.49Å; V1218-F1409 HydrophobicContact CG1-CD1 4.43Å; V1218-F1409 HydrophobicContact CG1-CD2 4.4Å; V1218-F1409 HydrophobicContact CG1-CE1 3.81Å; V1218-F1409 HydrophobicContact CG1-CE2 3.79Å; V1218-F1409 HydrophobicContact CG1-CZ 3.49Å; V1218-F1409 VanDerWaalsContact CG1-CZ 3.49Å; V1218-F1409 HydrophobicContact CG2-CD1 3.94Å; V1218-F1409 HydrophobicContact CG2-CD2 4.04Å; V1218-F1409 HydrophobicContact CG2-CE1 4.17Å; V1218-F1409 HydrophobicContact CG2-CE2 4.29Å; V1218-F1409 HydrophobicContact CG2-CG 3.91Å; V1218-F1409 HydrophobicContact CG2-CZ 4.38Å; V1218-V1432 HydrophobicContact CG2-CG1 4.03Å |
| 1219 | F | 81.1 | Confident | 74.2 | Confident | 55 Ų | 55 | 38.2 Ų | 38.2 | 24% | 0.241 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 138.4 | 175.6 | -73 | -74.2 | 0 | 0 | 0 | 111.1 | F792 E794 R1217 I1237 S1238 | F792-F1219 HydrophobicContact CB-CD1 4.26Å; E794-F1219 HydrophobicContact CB-CD1 3.86Å; E794-F1219 HydrophobicContact CB-CE1 3.67Å; E794-F1219 HydrophobicContact CG-CD1 4.08Å; E794-F1219 HydrophobicContact CG-CE1 3.71Å; E794-F1219 HydrophobicContact CG-CZ 4.12Å; R1217-F1219 HydrophobicContact CG-CD2 4.18Å; R1217-F1219 HydrophobicContact CG-CE2 3.66Å; R1217-F1219 HydrophobicContact CG-CZ 4.04Å; F1219-I1237 CarbonylContact O-C 3.6Å; F1219-I1237 VanDerWaalsContact O-CA 3.27Å; F1219-I1237 WeakPolarHBondContact O-CA 3.43Å; F1219-S1238 PolarHBondContact N-O 3.2Å; F1219-S1238 PolarHBondContact O-N 3.15Å |
| 1220 | F | 79.3 | Confident | 73 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 127.5 | 168.9 | -61.7 | -96.4 | 0 | 0 | 0 | 108.6 | F792 V793 A795 V1218 F1223 V1235 I1237 L1319 I1407 F1409 H1434 | F792-F1220 WeakPolarHBondContact CA-O 3.22Å; V793-F1220 PolarHBondContact N-O 3.25Å; V793-F1220 WeakPolarHBondContact O-CD2 3.46Å; V793-F1220 PolarHBondContact O-N 2.75Å; A795-F1220 HydrophobicContact CB-CE2 4.38Å; V1218-F1220 HydrophobicContact CG1-CD2 4.4Å; V1218-F1220 HydrophobicContact CG1-CE2 3.8Å; V1218-F1220 HydrophobicContact CG1-CZ 4.19Å; F1220-F1223 HydrophobicContact CB-CB 4.43Å; F1220-F1223 AromaticContact CD1-CD2 3.82Å; F1220-F1223 HydrophobicContact CD1-CD2 3.82Å; F1220-F1223 HydrophobicContact CD1-CE2 4.42Å; F1220-F1223 HydrophobicContact CE1-CD2 4.09Å; F1220-F1223 HydrophobicContact CE1-CE2 4.26Å; F1220-F1223 HydrophobicContact CG-CD2 4.18Å; F1220-V1235 HydrophobicContact CB-CG1 4.13Å; F1220-V1235 HydrophobicContact CD1-CG1 4.02Å; F1220-I1237 HydrophobicContact CD1-CD1 3.78Å; F1220-I1237 HydrophobicContact CD1-CG1 3.68Å; F1220-I1237 HydrophobicContact CE1-CD1 3.36Å; F1220-I1237 HydrophobicContact CE1-CG1 3.82Å; F1220-I1237 HydrophobicContact CZ-CD1 4.21Å; F1220-L1319 HydrophobicContact CE1-CD2 4.42Å; F1220-I1407 HydrophobicContact CE1-CD1 4.16Å; F1220-I1407 HydrophobicContact CZ-CD1 4.11Å; F1220-F1409 HydrophobicContact CE2-CE2 4.48Å; F1220-F1409 HydrophobicContact CE2-CZ 4.49Å; F1220-F1409 HydrophobicContact CZ-CE2 4.03Å; F1220-F1409 AromaticContact CZ-CZ 3.82Å; F1220-F1409 HydrophobicContact CZ-CZ 3.82Å; F1220-H1434 AromaticContact CD2-CE1 3.81Å; F1220-H1434 AromaticContact CD2-ND1 3.74Å; F1220-H1434 HydrophobicContact CE2-CB 3.73Å; F1220-H1434 AromaticContact CE2-CD2 3.82Å; F1220-H1434 AromaticContact CE2-CE1 3.95Å; F1220-H1434 AromaticContact CE2-CG 3.42Å; F1220-H1434 VanDerWaalsContact CE2-CG 3.42Å; F1220-H1434 AromaticContact CE2-ND1 3.53Å; F1220-H1434 HydrophobicContact CZ-CB 4.11Å; F1220-H1434 AromaticContact CZ-CG 3.97Å |
| 1221 | S | 75.2 | Confident | 72.2 | Confident | 35 Ų | 35 | 37.5 Ų | 37.5 | 25% | 0.245 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -54.2 | -55.1 | 175 | 46.4 | 0 | 0 | 0 | 0 | 112.2 | Q1236 | S1221-Q1236 WeakPolarHBondContact CB-O 3.17Å; S1221-Q1236 PolarHBondContact N-O 2.89Å; S1221-Q1236 WeakPolarHBondContact OG-CA 3.42Å; S1221-Q1236 WeakPolarHBondContact OG-CB 2.96Å; S1221-Q1236 PolarHBondContact OG-N 2.84Å; S1221-Q1236 PolarHBondContact OG-O 2.75Å |
| 1222 | S | 70.7 | Confident | 71.8 | Confident | 66 Ų | 66 | 36 Ų | 36 | 46% | 0.462 | 20% | 0.198 | S | C | . | . | trans | -148 | 113.3 | 170.3 | 56 | 0 | 0 | 0 | 0 | 109.6 | V1235 | S1222-V1235 VanDerWaalsContact O-CG1 3.22Å; S1222-V1235 WeakPolarHBondContact O-CG1 3.29Å; S1222-V1235 WeakPolarHBondContact O-CG2 3.37Å | ||
| 1223 | F | 77.2 | Confident | 71.7 | Confident | 27 Ų | 27 | 36 Ų | 36 | 12% | 0.118 | 20% | 0.198 | C | C | . | . | trans | -89.7 | 122.6 | 171.2 | -158.4 | -79 | 0 | 0 | 0 | 108.5 | F1220 S1225 L1321 V1405 I1407 H1434 S1436 L1438 | F1220-F1223 HydrophobicContact CB-CB 4.43Å; F1220-F1223 AromaticContact CD1-CD2 3.82Å; F1220-F1223 HydrophobicContact CD1-CD2 3.82Å; F1220-F1223 HydrophobicContact CD1-CE2 4.42Å; F1220-F1223 HydrophobicContact CE1-CD2 4.09Å; F1220-F1223 HydrophobicContact CE1-CE2 4.26Å; F1220-F1223 HydrophobicContact CG-CD2 4.18Å; F1223-S1225 PolarHBondContact O-N 3.24Å; F1223-L1321 HydrophobicContact CD2-CD1 4.3Å; F1223-L1321 HydrophobicContact CE1-CD1 4.47Å; F1223-L1321 HydrophobicContact CE2-CD1 3.85Å; F1223-L1321 HydrophobicContact CE2-CD2 4.45Å; F1223-L1321 HydrophobicContact CZ-CD1 3.94Å; F1223-V1405 HydrophobicContact CZ-CG1 4.32Å; F1223-I1407 HydrophobicContact CE2-CD1 3.7Å; F1223-I1407 HydrophobicContact CZ-CD1 4.22Å; F1223-H1434 AromaticContact CD2-NE2 3.49Å; F1223-H1434 WeakPolarHBondContact CD2-NE2 3.38Å; F1223-H1434 AromaticContact CE2-NE2 3.93Å; F1223-H1434 AromaticContact CG-NE2 3.64Å; F1223-S1436 WeakPolarHBondContact CD1-OG 3.19Å; F1223-S1436 WeakPolarHBondContact CE1-OG 3.31Å; F1223-S1436 VanDerWaalsContact CZ-OG 3.28Å; F1223-S1436 WeakPolarHBondContact CZ-OG 3.37Å; F1223-L1438 HydrophobicContact CE1-CD1 4.44Å | ||
| 1224 | P | 71.9 | Confident | 71.8 | Confident | 24 Ų | 24 | 37.1 Ų | 37.1 | 16% | 0.156 | 21% | 0.207 | C | C | . | . | trans | -63.1 | 133.2 | -176 | 23.6 | -32.2 | 0 | 0 | 0 | 111.1 | L1227 L1321 L1438 | P1224-L1227 HydrophobicContact CB-CD1 3.58Å; P1224-L1227 HydrophobicContact CG-CD1 3.35Å; P1224-L1321 HydrophobicContact CG-CD1 3.85Å; P1224-L1438 HydrophobicContact CB-CD1 4.47Å; P1224-L1438 HydrophobicContact CG-CD1 4.29Å; P1224-L1438 WeakPolarHBondContact O-CD1 3.46Å | ||
| 1225 | S | 69 | Low | 71.9 | Confident | 87 Ų | 87 | 36.5 Ų | 36.5 | 61% | 0.608 | 20% | 0.203 | S | C | * | . | S | Bend | trans | -80.9 | -26.8 | 171.1 | 56.1 | 0 | 0 | 0 | 0 | 112 | F1223 E1439 | F1223-S1225 PolarHBondContact O-N 3.24Å; S1225-E1439 PolarHBondContact O-N 3.15Å |
| 1226 | Q | 70.4 | Confident | 72.1 | Confident | 74 Ų | 74 | 39.4 Ų | 39.4 | 35% | 0.346 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 137.8 | 178.8 | -79.6 | 168.2 | 17 | 0 | 0 | 109.9 | E1439 | Q1226-E1439 VanDerWaalsContact CA-O 3.28Å; Q1226-E1439 WeakPolarHBondContact CA-O 3.36Å; Q1226-E1439 HydrophobicContact CG-CB 3.69Å; Q1226-E1439 HydrophobicContact CG-CG 4.13Å; Q1226-E1439 WeakPolarHBondContact CG-OE2 3.4Å; Q1226-E1439 PolarHBondContact NE2-OE2 2.95Å |
| 1227 | L | 68.4 | Low | 72.3 | Confident | 3 Ų | 3 | 39 Ų | 39 | 2% | 0.016 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 139.8 | 169.3 | -129.1 | 97 | 0 | 0 | 0 | 110.4 | P1224 Q1231 C1233 L1438 E1439 L1440 K1441 | P1224-L1227 HydrophobicContact CB-CD1 3.58Å; P1224-L1227 HydrophobicContact CG-CD1 3.35Å; L1227-Q1231 HydrophobicContact CD2-CB 4.14Å; L1227-Q1231 VanDerWaalsContact CD2-O 3.31Å; L1227-Q1231 WeakPolarHBondContact CD2-O 3.41Å; L1227-Q1231 HydrophobicContact CG-CB 4.26Å; L1227-Q1231 HydrophobicContact CG-CG 4.43Å; L1227-C1233 HydrophobicContact CD1-CB 4.2Å; L1227-L1438 HydrophobicContact CB-CD1 4.12Å; L1227-L1438 HydrophobicContact CB-CD2 3.99Å; L1227-L1438 HydrophobicContact CB-CG 4.26Å; L1227-L1438 HydrophobicContact CD1-CD1 4.36Å; L1227-E1439 PolarHBondContact N-O 3.01Å; L1227-L1440 HydrophobicContact CB-CD2 4.41Å; L1227-L1440 WeakPolarHBondContact O-CA 3.36Å; L1227-K1441 PolarHBondContact O-N 3.01Å; L1227-K1441 VanDerWaalsContact O-N 3.1Å |
| 1228 | Y | 64.3 | Low | 72.6 | Confident | 44 Ų | 44 | 37 Ų | 37 | 17% | 0.173 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 153.4 | 173.3 | -65.2 | -82.1 | 0 | 0 | 0 | 111.2 | G1230 Q1231 K1441 S1443 V1471 | Y1228-G1230 PolarHBondContact O-N 2.77Å; Y1228-Q1231 WeakPolarHBondContact O-CB 3.28Å; Y1228-Q1231 PolarHBondContact O-N 3.02Å; Y1228-K1441 VanDerWaalsContact CA-O 3.3Å; Y1228-K1441 WeakPolarHBondContact CA-O 3.49Å; Y1228-K1441 HydrophobicContact CD1-CB 3.69Å; Y1228-K1441 HydrophobicContact CE1-CB 3.69Å; Y1228-K1441 HydrophobicContact CE1-CD 4.23Å; Y1228-S1443 WeakPolarHBondContact CB-OG 3.4Å; Y1228-V1471 HydrophobicContact CE1-CG2 4.22Å |
| 1229 | E | 61 | Low | 72.7 | Confident | 18 Ų | 18 | 37 Ų | 37 | 8% | 0.084 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | 122.4 | 176.5 | 178.7 | 160.4 | -146.4 | 0 | 0 | 111.8 | Q1231 Y1325 L1326 K1441 S1443 | E1229-Q1231 PolarHBondContact O-N 2.96Å; E1229-Y1325 HydrophobicContact CG-CD1 3.59Å; E1229-Y1325 HydrophobicContact CG-CE1 4.22Å; E1229-Y1325 HydrophobicContact CG-CG 4.35Å; E1229-Y1325 WeakPolarHBondContact OE1-CA 3.38Å; E1229-Y1325 VanDerWaalsContact OE1-CB 3.3Å; E1229-Y1325 WeakPolarHBondContact OE1-CB 3.48Å; E1229-Y1325 VanDerWaalsContact OE1-CD1 3.3Å; E1229-Y1325 WeakPolarHBondContact OE1-CD1 3.34Å; E1229-L1326 PolarHBondContact OE1-N 3.23Å; E1229-K1441 PolarHBondContact N-O 2.74Å; E1229-S1443 PolarHBondContact O-OG 2.84Å |
| 1230 | G | 57.2 | Low | 72.8 | Confident | 5 Ų | 5 | 35.4 Ų | 35.4 | 5% | 0.052 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.5 | -7.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | Y1228 I1232 G1323 | Y1228-G1230 PolarHBondContact O-N 2.77Å; G1230-I1232 PolarHBondContact O-N 3.26Å; G1230-G1323 WeakPolarHBondContact CA-O 3.48Å; G1230-G1323 PolarHBondContact N-O 3.37Å |
| 1231 | Q | 62.9 | Low | 73 | Confident | 35 Ų | 35 | 35.4 Ų | 35.4 | 16% | 0.164 | 20% | 0.204 | C | C | . | . | trans | -59 | 136.6 | -179.4 | -177.6 | -177.2 | 10.5 | 0 | 0 | 110.9 | L1227 Y1228 E1229 R1322 G1323 I1677 | L1227-Q1231 HydrophobicContact CD2-CB 4.14Å; L1227-Q1231 VanDerWaalsContact CD2-O 3.31Å; L1227-Q1231 WeakPolarHBondContact CD2-O 3.41Å; L1227-Q1231 HydrophobicContact CG-CB 4.26Å; L1227-Q1231 HydrophobicContact CG-CG 4.43Å; Y1228-Q1231 WeakPolarHBondContact O-CB 3.28Å; Y1228-Q1231 PolarHBondContact O-N 3.02Å; E1229-Q1231 PolarHBondContact O-N 2.96Å; Q1231-R1322 CarbonylContact O-C 3.5Å; Q1231-R1322 VanDerWaalsContact O-CA 3.23Å; Q1231-R1322 WeakPolarHBondContact O-CA 3.49Å; Q1231-G1323 PolarHBondContact O-N 3.21Å; Q1231-I1677 HydrophobicContact CG-CG2 4.4Å | ||
| 1232 | I | 65.6 | Low | 72.9 | Confident | 105 Ų | 105 | 35.8 Ų | 35.8 | 54% | 0.538 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 128.4 | 172.4 | -58.8 | 173.4 | 0 | 0 | 0 | 108.7 | G1230 W1320 L1321 R1322 | G1230-I1232 PolarHBondContact O-N 3.26Å; I1232-W1320 HydrophobicContact CG2-CE3 3.82Å; I1232-W1320 HydrophobicContact CG2-CZ3 4.46Å; I1232-L1321 CarbonylContact C-O 3.5Å; I1232-L1321 VanDerWaalsContact CA-O 3.24Å; I1232-L1321 WeakPolarHBondContact CA-O 3.42Å; I1232-R1322 HydrophobicContact CG1-CB 4.31Å; I1232-R1322 HydrophobicContact CG1-CG 4.11Å |
| 1233 | C | 67.7 | Low | 73 | Confident | 36 Ų | 36 | 33.2 Ų | 33.2 | 24% | 0.243 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 136.4 | 179.5 | 177.7 | 0 | 0 | 0 | 0 | 109.1 | L1227 W1320 L1321 | L1227-C1233 HydrophobicContact CD1-CB 4.2Å; C1233-W1320 CarbonylContact O-C 3.48Å; C1233-L1321 PolarHBondContact N-O 2.85Å; C1233-L1321 PolarHBondContact O-N 2.99Å |
| 1234 | S | 75.2 | Confident | 72.8 | Confident | 48 Ų | 48 | 37.3 Ų | 37.3 | 34% | 0.336 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 135.3 | 171.8 | 68 | 0 | 0 | 0 | 0 | 111.7 | K1318 L1319 | S1234-K1318 WeakPolarHBondContact OG-CE 3.32Å; S1234-L1319 CarbonylContact C-O 3.55Å; S1234-L1319 WeakPolarHBondContact CA-O 3.32Å |
| 1235 | V | 75.1 | Confident | 73.1 | Confident | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.006 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 130.6 | 177.2 | 179.7 | 0 | 0 | 0 | 0 | 108.7 | F1220 S1222 L1319 L1321 | F1220-V1235 HydrophobicContact CB-CG1 4.13Å; F1220-V1235 HydrophobicContact CD1-CG1 4.02Å; S1222-V1235 VanDerWaalsContact O-CG1 3.22Å; S1222-V1235 WeakPolarHBondContact O-CG1 3.29Å; S1222-V1235 WeakPolarHBondContact O-CG2 3.37Å; V1235-L1319 PolarHBondContact N-O 3.06Å; V1235-L1319 PolarHBondContact O-N 3.25Å; V1235-L1321 HydrophobicContact CB-CD1 4.47Å; V1235-L1321 HydrophobicContact CG2-CD1 3.55Å; V1235-L1321 HydrophobicContact CG2-CG 4.22Å |
| 1236 | Q | 82.1 | Confident | 73.6 | Confident | 84 Ų | 84 | 34.4 Ų | 34.4 | 39% | 0.393 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 131.5 | 169.3 | -65.5 | -69.3 | -12.3 | 0 | 0 | 109.6 | S1221 Q1317 | S1221-Q1236 WeakPolarHBondContact CB-O 3.17Å; S1221-Q1236 PolarHBondContact N-O 2.89Å; S1221-Q1236 WeakPolarHBondContact OG-CA 3.42Å; S1221-Q1236 WeakPolarHBondContact OG-CB 2.96Å; S1221-Q1236 PolarHBondContact OG-N 2.84Å; S1221-Q1236 PolarHBondContact OG-O 2.75Å; Q1236-Q1317 PolarHBondContact OE1-O 3.04Å |
| 1237 | I | 84.1 | Confident | 74.1 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 131.4 | 176.8 | -57.7 | -173.7 | 0 | 0 | 0 | 108.8 | V1218 F1219 F1220 L1239 T1316 Q1317 L1319 | V1218-I1237 HydrophobicContact CG1-CG2 3.99Å; F1219-I1237 CarbonylContact O-C 3.6Å; F1219-I1237 VanDerWaalsContact O-CA 3.27Å; F1219-I1237 WeakPolarHBondContact O-CA 3.43Å; F1220-I1237 HydrophobicContact CD1-CD1 3.78Å; F1220-I1237 HydrophobicContact CD1-CG1 3.68Å; F1220-I1237 HydrophobicContact CE1-CD1 3.36Å; F1220-I1237 HydrophobicContact CE1-CG1 3.82Å; F1220-I1237 HydrophobicContact CZ-CD1 4.21Å; I1237-L1239 HydrophobicContact CG2-CD2 3.97Å; I1237-L1239 HydrophobicContact CG2-CG 4.14Å; I1237-T1316 CarbonylContact O-C 3.58Å; I1237-T1316 VanDerWaalsContact O-CA 3.24Å; I1237-T1316 WeakPolarHBondContact O-CA 3.31Å; I1237-Q1317 PolarHBondContact N-O 2.93Å; I1237-Q1317 PolarHBondContact O-N 3.14Å; I1237-L1319 HydrophobicContact CD1-CB 3.4Å; I1237-L1319 HydrophobicContact CD1-CD1 4.25Å; I1237-L1319 HydrophobicContact CD1-CD2 3.44Å; I1237-L1319 VanDerWaalsContact CD1-CD2 3.44Å; I1237-L1319 HydrophobicContact CD1-CG 3.84Å; I1237-L1319 HydrophobicContact CG1-CB 3.83Å |
| 1238 | S | 83.2 | Confident | 74.6 | Confident | 30 Ų | 30 | 31.5 Ų | 31.5 | 21% | 0.21 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 123.9 | 172.5 | -59.7 | 0 | 0 | 0 | 0 | 110.1 | F1219 I1315 T1316 | F1219-S1238 PolarHBondContact N-O 3.2Å; F1219-S1238 PolarHBondContact O-N 3.15Å; S1238-I1315 CarbonylContact C-O 3.38Å; S1238-I1315 VanDerWaalsContact CA-O 3.32Å; S1238-I1315 WeakPolarHBondContact CA-O 3.29Å; S1238-T1316 PolarHBondContact OG-OG1 3.21Å |
| 1239 | L | 85.4 | Confident | 75.1 | Confident | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 110.5 | -179.2 | -60.4 | 173.9 | 0 | 0 | 0 | 108.9 | L1216 R1217 V1218 I1237 V1289 T1314 I1315 F1409 | L1216-L1239 HydrophobicContact CD1-CB 4.44Å; R1217-L1239 CarbonylContact O-C 3.49Å; R1217-L1239 WeakPolarHBondContact O-CA 3.42Å; V1218-L1239 HydrophobicContact CB-CD2 3.94Å; V1218-L1239 HydrophobicContact CG1-CD2 3.67Å; V1218-L1239 HydrophobicContact CG2-CD2 3.51Å; I1237-L1239 HydrophobicContact CG2-CD2 3.97Å; I1237-L1239 HydrophobicContact CG2-CG 4.14Å; L1239-V1289 HydrophobicContact CD1-CG1 3.55Å; L1239-T1314 CarbonylContact O-C 3.3Å; L1239-T1314 VanDerWaalsContact O-CA 3.26Å; L1239-T1314 WeakPolarHBondContact O-CA 3.38Å; L1239-I1315 PolarHBondContact N-O 3.5Å; L1239-I1315 PolarHBondContact O-N 2.91Å; L1239-F1409 HydrophobicContact CD2-CD1 3.9Å; L1239-F1409 HydrophobicContact CD2-CE1 3.71Å |
| 1240 | T | 81.7 | Confident | 76 | Confident | 20 Ų | 20 | 30.6 Ų | 30.6 | 12% | 0.123 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 125.9 | -177.7 | -52.8 | 0 | 0 | 0 | 0 | 110.4 | R1217 S1242 T1313 T1314 | R1217-T1240 PolarHBondContact N-O 2.69Å; R1217-T1240 PolarHBondContact O-N 2.75Å; T1240-S1242 PolarHBondContact O-N 3.32Å; T1240-S1242 VanDerWaalsContact O-N 3.13Å; T1240-T1313 WeakPolarHBondContact CA-O 3.27Å; T1240-T1314 WeakPolarHBondContact CB-OG1 3.38Å; T1240-T1314 VanDerWaalsContact CG2-OG1 3.22Å; T1240-T1314 WeakPolarHBondContact CG2-OG1 3.27Å; T1240-T1314 VanDerWaalsContact OG1-CG2 3.26Å; T1240-T1314 WeakPolarHBondContact OG1-CG2 3.32Å; T1240-T1314 PolarHBondContact OG1-OG1 3.36Å |
| 1241 | N | 84.8 | Confident | 76.9 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 106.8 | 167.3 | -177.9 | -1.3 | 0 | 0 | 0 | 108.7 | S1215 G1243 I1245 L1247 L1309 M1310 P1311 G1312 T1313 | S1215-N1241 PolarHBondContact O-OD1 3.27Å; S1215-N1241 VanDerWaalsContact O-OD1 3.11Å; N1241-G1243 PolarHBondContact OD1-N 3.41Å; N1241-I1245 PolarHBondContact ND2-O 3.18Å; N1241-L1247 HydrophobicContact CB-CD1 4.01Å; N1241-L1247 HydrophobicContact CB-CG 4.4Å; N1241-L1309 HydrophobicContact CB-CD2 3.77Å; N1241-L1309 HydrophobicContact CB-CG 3.84Å; N1241-L1309 PolarHBondContact ND2-O 2.75Å; N1241-M1310 WeakPolarHBondContact CB-O 3.28Å; N1241-M1310 VanDerWaalsContact ND2-C 3.32Å; N1241-M1310 PolarHBondContact ND2-O 2.98Å; N1241-P1311 WeakPolarHBondContact ND2-CA 3.47Å; N1241-P1311 VanDerWaalsContact ND2-N 3.18Å; N1241-G1312 VanDerWaalsContact O-CA 3.32Å; N1241-G1312 WeakPolarHBondContact O-CA 3.31Å; N1241-G1312 PolarHBondContact O-N 3.05Å; N1241-T1313 PolarHBondContact N-O 2.86Å |
| 1242 | S | 73.3 | Confident | 77.6 | Confident | 43 Ų | 43 | 32.3 Ų | 32.3 | 30% | 0.301 | 18% | 0.18 | S | C | . | . | trans | -94.7 | -1.1 | -179.8 | -62.4 | 0 | 0 | 0 | 0 | 112.9 | S1215 R1217 T1240 | S1215-S1242 PolarHBondContact O-N 2.84Å; R1217-S1242 WeakPolarHBondContact CB-OG 3.49Å; R1217-S1242 VanDerWaalsContact CZ-OG 3.29Å; R1217-S1242 PolarHBondContact NE-OG 2.77Å; R1217-S1242 PolarHBondContact NH2-OG 2.89Å; T1240-S1242 PolarHBondContact O-N 3.32Å; T1240-S1242 VanDerWaalsContact O-N 3.13Å | ||
| 1243 | G | 72.7 | Confident | 78 | Confident | 13 Ų | 13 | 27.3 Ų | 27.3 | 13% | 0.134 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -89.8 | 175.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | S1215 N1241 I1245 P1311 | S1215-G1243 PolarHBondContact O-N 2.7Å; S1215-G1243 VanDerWaalsContact O-N 3.15Å; N1241-G1243 PolarHBondContact OD1-N 3.41Å; G1243-I1245 VanDerWaalsContact C-N 3.34Å; G1243-P1311 WeakPolarHBondContact O-CB 3.35Å |
| 1244 | L | 72.8 | Confident | 78.2 | Confident | 113 Ų | 113 | 25.7 Ų | 25.7 | 59% | 0.592 | 14% | 0.144 | S | C | * | . | S | Bend | trans | -87.6 | -3 | 175 | -62.2 | 171.2 | 0 | 0 | 0 | 113 | P1212 P1311 | P1212-L1244 HydrophobicContact CB-CB 4.13Å; P1212-L1244 HydrophobicContact CB-CD1 4.2Å; P1212-L1244 HydrophobicContact CG-CB 4.45Å; P1212-L1244 HydrophobicContact CG-CD1 3.93Å; L1244-P1311 WeakPolarHBondContact O-CG 3.49Å |
| 1245 | I | 78.4 | Confident | 77.9 | Confident | 25 Ų | 25 | 24.1 Ų | 24.1 | 13% | 0.128 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -118.9 | 137.6 | -172.3 | -55.3 | 166.3 | 0 | 0 | 0 | 110.2 | P1212 N1241 G1243 S1413 | P1212-I1245 VanDerWaalsContact C-CD1 3.47Å; P1212-I1245 HydrophobicContact CB-CD1 3.86Å; P1212-I1245 HydrophobicContact CB-CG1 4.13Å; P1212-I1245 WeakPolarHBondContact O-CD1 3.49Å; N1241-I1245 PolarHBondContact ND2-O 3.18Å; G1243-I1245 VanDerWaalsContact C-N 3.34Å; I1245-S1413 VanDerWaalsContact CG2-OG 3.22Å; I1245-S1413 WeakPolarHBondContact CG2-OG 3.29Å |
| 1246 | P | 79 | Confident | 77.3 | Confident | 25 Ų | 25 | 25 Ų | 25 | 16% | 0.162 | 14% | 0.137 | C | C | . | . | trans | -63.1 | 143.7 | 175.3 | -15.1 | 27.1 | 0 | 0 | 0 | 112.7 | V1308 M1310 P1311 T1414 | P1246-V1308 HydrophobicContact CB-CG1 3.92Å; P1246-M1310 HydrophobicContact CB-CE 4.46Å; P1246-M1310 HydrophobicContact CB-SD 3.89Å; P1246-M1310 HydrophobicContact CG-CE 4.01Å; P1246-M1310 HydrophobicContact CG-SD 4.08Å; P1246-P1311 HydrophobicContact CG-CG 4.29Å; P1246-T1414 HydrophobicContact CB-CG2 3.87Å; P1246-T1414 PolarHBondContact O-N 2.89Å; P1246-T1414 VanDerWaalsContact O-N 3.09Å; P1246-T1414 PolarHBondContact O-OG1 2.76Å | ||
| 1247 | L | 80.6 | Confident | 76.2 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 144.1 | -176 | -57.3 | -179.8 | 0 | 0 | 0 | 111.9 | P1214 L1216 N1241 L1250 V1308 L1309 Y1411 E1412 | P1214-L1247 HydrophobicContact CB-CD2 3.5Å; P1214-L1247 HydrophobicContact CG-CD2 4.31Å; L1216-L1247 HydrophobicContact CB-CD1 3.9Å; L1216-L1247 HydrophobicContact CD1-CD1 3.88Å; L1216-L1247 HydrophobicContact CG-CD1 4.48Å; N1241-L1247 HydrophobicContact CB-CD1 4.01Å; N1241-L1247 HydrophobicContact CB-CG 4.4Å; L1247-L1250 HydrophobicContact CB-CD2 4.42Å; L1247-V1308 CarbonylContact O-C 3.5Å; L1247-V1308 VanDerWaalsContact O-CA 3.28Å; L1247-V1308 WeakPolarHBondContact O-CA 3.15Å; L1247-L1309 HydrophobicContact CB-CB 4.34Å; L1247-L1309 PolarHBondContact N-O 2.91Å; L1247-L1309 PolarHBondContact O-N 3Å; L1247-Y1411 HydrophobicContact CD1-CD2 4.02Å; L1247-Y1411 HydrophobicContact CD2-CD2 3.94Å; L1247-Y1411 HydrophobicContact CD2-CE2 4.46Å; L1247-E1412 CarbonylContact C-O 3.5Å; L1247-E1412 VanDerWaalsContact CA-O 3.25Å; L1247-E1412 WeakPolarHBondContact CA-O 3.47Å |
| 1248 | T | 78.6 | Confident | 75 | Confident | 16 Ų | 16 | 26 Ų | 26 | 10% | 0.098 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 171.6 | 171.3 | 37.5 | 0 | 0 | 0 | 0 | 111.2 | L1250 P1306 V1308 E1412 T1414 | T1248-L1250 PolarHBondContact O-N 2.81Å; T1248-P1306 HydrophobicContact CG2-CB 4.48Å; T1248-V1308 HydrophobicContact CG2-CB 4.28Å; T1248-V1308 HydrophobicContact CG2-CG1 4.43Å; T1248-V1308 HydrophobicContact CG2-CG2 3.65Å; T1248-E1412 PolarHBondContact N-O 3.4Å; T1248-E1412 PolarHBondContact O-N 3.03Å; T1248-T1414 HydrophobicContact CG2-CG2 3.43Å; T1248-T1414 VanDerWaalsContact CG2-CG2 3.43Å |
| 1249 | N | 76.2 | Confident | 74.1 | Confident | 38 Ų | 38 | 25 Ų | 25 | 20% | 0.203 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 60.5 | 42.6 | 169.1 | -150.7 | 9.2 | 0 | 0 | 0 | 113.1 | R1251 E1412 | N1249-R1251 PolarHBondContact ND2-NH2 2.9Å; N1249-R1251 PolarHBondContact O-N 2.89Å; N1249-R1251 PolarHBondContact OD1-NE 3.37Å; N1249-R1251 PolarHBondContact OD1-NH2 3.38Å; N1249-E1412 HydrophobicContact CB-CG 3.82Å; N1249-E1412 WeakPolarHBondContact CB-OE1 3.38Å; N1249-E1412 PolarHBondContact ND2-OE1 3.06Å |
| 1250 | L | 78.4 | Confident | 73.3 | Confident | 5 Ų | 5 | 25.4 Ų | 25.4 | 3% | 0.026 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 110.4 | 177 | -61.8 | -174.4 | 0 | 0 | 0 | 110.1 | L1216 L1247 T1248 V1289 L1309 Q1410 Y1411 | L1216-L1250 HydrophobicContact CD1-CD2 4.39Å; L1216-L1250 HydrophobicContact CD2-CD2 4.04Å; L1247-L1250 HydrophobicContact CB-CD2 4.42Å; T1248-L1250 PolarHBondContact O-N 2.81Å; L1250-V1289 HydrophobicContact CB-CB 4Å; L1250-V1289 HydrophobicContact CB-CG2 4.3Å; L1250-V1289 WeakPolarHBondContact O-CB 3.27Å; L1250-V1289 WeakPolarHBondContact O-CG2 3.35Å; L1250-V1289 PolarHBondContact O-N 2.86Å; L1250-L1309 HydrophobicContact CD1-CB 4.08Å; L1250-L1309 HydrophobicContact CD1-CD2 3.98Å; L1250-Q1410 CarbonylContact C-O 3.56Å; L1250-Q1410 VanDerWaalsContact CA-O 3.31Å; L1250-Q1410 WeakPolarHBondContact CA-O 3.42Å; L1250-Y1411 HydrophobicContact CD2-CG 4.38Å |
| 1251 | R | 76.4 | Confident | 72.4 | Confident | 74 Ų | 74 | 26.9 Ų | 26.9 | 28% | 0.279 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 155 | 178.7 | -47.1 | -168.4 | -164.5 | -174.6 | -0.9 | 111.9 | N1249 W1286 I1287 D1288 F1409 Q1410 | N1249-R1251 PolarHBondContact ND2-NH2 2.9Å; N1249-R1251 PolarHBondContact O-N 2.89Å; N1249-R1251 PolarHBondContact OD1-NE 3.37Å; N1249-R1251 PolarHBondContact OD1-NH2 3.38Å; R1251-W1286 HydrophobicContact CB-CB 4.3Å; R1251-W1286 HydrophobicContact CB-CD2 4.41Å; R1251-W1286 HydrophobicContact CB-CE3 3.66Å; R1251-W1286 HydrophobicContact CB-CZ3 4.41Å; R1251-I1287 CarbonylContact C-O 3.55Å; R1251-I1287 WeakPolarHBondContact CA-O 3.36Å; R1251-D1288 WeakPolarHBondContact CD-OD1 3.41Å; R1251-D1288 WeakPolarHBondContact CG-OD1 3.4Å; R1251-D1288 IonicContact NE-OD1 3.51Å; R1251-F1409 CarbonylContact O-C 3.45Å; R1251-F1409 VanDerWaalsContact O-CA 3.24Å; R1251-F1409 WeakPolarHBondContact O-CA 3.35Å; R1251-Q1410 HydrophobicContact CB-CB 4.35Å; R1251-Q1410 PolarHBondContact N-O 3.2Å; R1251-Q1410 PolarHBondContact O-N 3.05Å |
| 1252 | I | 79 | Confident | 71.3 | Confident | 2 Ų | 2 | 28.8 Ų | 28.8 | 1% | 0.01 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 137.4 | 179.4 | -67.6 | 167.7 | 0 | 0 | 0 | 111 | F1260 F1262 W1286 I1287 V1289 I1407 V1408 F1409 | I1252-F1260 HydrophobicContact CB-CE2 4.28Å; I1252-F1260 HydrophobicContact CG2-CD2 4.38Å; I1252-F1260 HydrophobicContact CG2-CE2 3.52Å; I1252-F1260 HydrophobicContact CG2-CZ 3.72Å; I1252-F1262 HydrophobicContact CD1-CE2 3.57Å; I1252-F1262 HydrophobicContact CD1-CZ 3.33Å; I1252-W1286 WeakPolarHBondContact O-CA 2.86Å; I1252-I1287 PolarHBondContact N-O 3.06Å; I1252-I1287 PolarHBondContact O-N 2.85Å; I1252-V1289 HydrophobicContact CB-CG2 4.49Å; I1252-V1289 HydrophobicContact CD1-CG2 3.39Å; I1252-V1289 HydrophobicContact CG1-CG2 3.58Å; I1252-I1407 HydrophobicContact CG2-CG2 3.6Å; I1252-V1408 CarbonylContact C-O 3.54Å; I1252-V1408 WeakPolarHBondContact CA-O 3.42Å; I1252-F1409 HydrophobicContact CD1-CD1 3.58Å; I1252-F1409 HydrophobicContact CD1-CE1 3.16Å; I1252-F1409 HydrophobicContact CD1-CZ 3.96Å; I1252-F1409 HydrophobicContact CG1-CD1 3.31Å; I1252-F1409 HydrophobicContact CG1-CE1 3.41Å; I1252-F1409 VanDerWaalsContact CG1-CE1 3.41Å; I1252-F1409 HydrophobicContact CG1-CG 4.04Å; I1252-F1409 HydrophobicContact CG1-CZ 4.18Å |
| 1253 | A | 73.3 | Confident | 70.3 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 156.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111 | I915 P1285 W1286 I1407 V1408 | I915-A1253 HydrophobicContact CG2-CB 3.93Å; A1253-P1285 VanDerWaalsContact CA-O 3.32Å; A1253-P1285 WeakPolarHBondContact CA-O 3.17Å; A1253-P1285 WeakPolarHBondContact CB-O 3.28Å; A1253-W1286 HydrophobicContact CB-CD2 3.75Å; A1253-W1286 HydrophobicContact CB-CE3 3.59Å; A1253-W1286 HydrophobicContact CB-CG 4.44Å; A1253-W1286 HydrophobicContact CB-CH2 3.91Å; A1253-W1286 HydrophobicContact CB-CZ2 4.06Å; A1253-W1286 HydrophobicContact CB-CZ3 3.67Å; A1253-I1407 CarbonylContact O-C 3.48Å; A1253-I1407 WeakPolarHBondContact O-CA 3.38Å; A1253-V1408 PolarHBondContact N-O 3.37Å; A1253-V1408 PolarHBondContact O-N 3.18Å |
| 1254 | S | 72.4 | Confident | 68.7 | Low | 2 Ų | 2 | 33.6 Ų | 33.6 | 1% | 0.014 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 156.2 | 168.5 | -175.5 | 0 | 0 | 0 | 0 | 111.8 | C1256 H1406 | S1254-C1256 PolarHBondContact O-N 3.17Å; S1254-C1256 PolarHBondContact OG-N 2.92Å; S1254-C1256 VanDerWaalsContact OG-N 3.12Å; S1254-H1406 WeakPolarHBondContact CA-O 3.37Å; S1254-H1406 VanDerWaalsContact CB-O 3.31Å; S1254-H1406 WeakPolarHBondContact CB-O 3.46Å; S1254-H1406 PolarHBondContact OG-O 2.81Å |
| 1255 | N | 67.5 | Low | 66.9 | Low | 14 Ų | 14 | 32.8 Ų | 32.8 | 8% | 0.075 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -61.2 | -21.1 | 164.9 | 67.7 | -21 | 0 | 0 | 0 | 112.6 | M908 L912 T1404 H1406 | M908-N1255 PolarHBondContact SD-ND2 3.33Å; L912-N1255 HydrophobicContact CD2-CB 4.45Å; N1255-T1404 PolarHBondContact ND2-O 2.79Å; N1255-H1406 HydrophobicContact CB-CB 4.49Å; N1255-H1406 PolarHBondContact N-O 2.77Å; N1255-H1406 PolarHBondContact OD1-N 3.15Å; N1255-H1406 PolarHBondContact OD1-O 3.03Å |
| 1256 | C | 63.4 | Low | 64.6 | Low | 19 Ų | 19 | 37.1 Ų | 37.1 | 13% | 0.128 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -118.9 | 80.4 | 173.9 | -60.8 | 0 | 0 | 0 | 0 | 109.8 | S1254 G1258 L1259 | S1254-C1256 PolarHBondContact O-N 3.17Å; S1254-C1256 PolarHBondContact OG-N 2.92Å; S1254-C1256 VanDerWaalsContact OG-N 3.12Å; C1256-G1258 PolarHBondContact O-N 2.81Å; C1256-L1259 HydrophobicContact CB-CB 3.84Å; C1256-L1259 WeakPolarHBondContact O-CB 3.09Å; C1256-L1259 PolarHBondContact O-N 2.92Å |
| 1257 | P | 59.1 | Low | 62.5 | Low | 42 Ų | 42 | 44.2 Ų | 44.2 | 27% | 0.273 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -60.1 | -31.8 | -175 | 21.4 | -32.1 | 0 | 0 | 0 | 113.4 | L1259 | P1257-L1259 PolarHBondContact O-N 3.09Š|
| 1258 | G | 58.4 | Low | 60 | Low | 64 Ų | 64 | 51.5 Ų | 51.5 | 66% | 0.66 | 31% | 0.31 | S | S | * | . | G | 310 helix | trans | -72.7 | 2.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | C1256 | C1256-G1258 PolarHBondContact O-N 2.81Š|
| 1259 | L | 65.1 | Low | 57.8 | Low | 8 Ų | 8 | 58.6 Ų | 58.6 | 4% | 0.042 | 35% | 0.347 | C | S | . | . | G | 310 helix | trans | -78.4 | -32.2 | 179 | -171.9 | 83.6 | 0 | 0 | 0 | 111.9 | C1256 P1257 L1321 R1322 V1405 | C1256-L1259 HydrophobicContact CB-CB 3.84Å; C1256-L1259 WeakPolarHBondContact O-CB 3.09Å; C1256-L1259 PolarHBondContact O-N 2.92Å; P1257-L1259 PolarHBondContact O-N 3.09Å; L1259-L1321 HydrophobicContact CD2-CD2 4.23Å; L1259-L1321 HydrophobicContact CG-CD2 4.31Å; L1259-L1321 CarbonylContact O-C 3.47Å; L1259-L1321 VanDerWaalsContact O-CA 3.23Å; L1259-L1321 WeakPolarHBondContact O-CA 3.41Å; L1259-R1322 WeakPolarHBondContact CD1-O 3.26Å; L1259-R1322 PolarHBondContact O-N 2.77Å; L1259-V1405 HydrophobicContact CD2-CB 4.29Å; L1259-V1405 HydrophobicContact CD2-CG1 3.35Å; L1259-V1405 HydrophobicContact CD2-CG2 3.93Å |
| 1260 | F | 68.1 | Low | 55.7 | Low | 10 Ų | 10 | 60.4 Ų | 60.4 | 4% | 0.044 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 152.9 | -166.9 | 70.8 | -81.3 | 0 | 0 | 0 | 114.8 | I1252 I1287 L1319 W1320 L1321 | I1252-F1260 HydrophobicContact CB-CE2 4.28Å; I1252-F1260 HydrophobicContact CG2-CD2 4.38Å; I1252-F1260 HydrophobicContact CG2-CE2 3.52Å; I1252-F1260 HydrophobicContact CG2-CZ 3.72Å; F1260-I1287 HydrophobicContact CD2-CD1 4.23Å; F1260-I1287 HydrophobicContact CE2-CD1 3.59Å; F1260-I1287 HydrophobicContact CE2-CG1 4.38Å; F1260-I1287 HydrophobicContact CZ-CD1 4.02Å; F1260-L1319 HydrophobicContact CB-CD1 3.97Å; F1260-L1319 HydrophobicContact CB-CD2 4.16Å; F1260-L1319 HydrophobicContact CB-CG 4.24Å; F1260-L1319 HydrophobicContact CD2-CD1 3.82Å; F1260-L1319 HydrophobicContact CG-CD1 4.31Å; F1260-W1320 CarbonylContact C-O 3.51Å; F1260-W1320 WeakPolarHBondContact CA-O 3.49Å; F1260-L1321 HydrophobicContact CB-CD2 3.97Å |
| 1261 | A | 64.1 | Low | 53.5 | Low | 52 Ų | 52 | 66.2 Ų | 66.2 | 43% | 0.43 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 148.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | W1320 | A1261-W1320 PolarHBondContact N-O 3.34Å; A1261-W1320 PolarHBondContact O-N 3.05Å |
| 1262 | F | 61.1 | Low | 51.3 | Low | 40 Ų | 40 | 69.7 Ų | 69.7 | 18% | 0.175 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 138 | 169.8 | -74 | -82.8 | 0 | 0 | 0 | 110.3 | I1252 I1287 P1290 Q1317 L1319 | I1252-F1262 HydrophobicContact CD1-CE2 3.57Å; I1252-F1262 HydrophobicContact CD1-CZ 3.33Å; F1262-I1287 HydrophobicContact CD2-CG2 4.27Å; F1262-P1290 HydrophobicContact CB-CG 4.4Å; F1262-Q1317 HydrophobicContact CD1-CB 4.34Å; F1262-Q1317 HydrophobicContact CE1-CB 4.08Å; F1262-L1319 HydrophobicContact CD1-CD1 4.33Å; F1262-L1319 HydrophobicContact CD2-CD1 4.16Å; F1262-L1319 HydrophobicContact CE1-CD1 3.92Å; F1262-L1319 HydrophobicContact CE2-CD1 3.7Å; F1262-L1319 HydrophobicContact CG-CD1 4.44Å; F1262-L1319 HydrophobicContact CZ-CD1 3.56Å |
| 1263 | G | 52 | Low | 48.6 | Very low | 39 Ų | 39 | 78.4 Ų | 78.4 | 40% | 0.402 | 46% | 0.462 | S | S | . | . | trans | 178 | 133.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | W1320 | G1263-W1320 PolarHBondContact O-NE1 3.18Š| ||
| 1264 | S | 39 | Very low | 46.4 | Very low | 117 Ų | 117 | 86.3 Ų | 86.3 | 82% | 0.818 | 50% | 0.499 | S | S | * | . | trans | -107.6 | 22.3 | -173.3 | 52.6 | 0 | 0 | 0 | 0 | 113.8 | P1266 | S1264-P1266 VanDerWaalsContact O-CD 3.23Å; S1264-P1266 WeakPolarHBondContact O-CD 3.44Å | ||
| 1265 | V | 35 | Very low | 44.2 | Very low | 96 Ų | 96 | 91.5 Ų | 91.5 | 58% | 0.582 | 53% | 0.525 | S | S | * | . | trans | -90.9 | 113.1 | -172.7 | -163.3 | 0 | 0 | 0 | 0 | 111.3 | Y1267 | V1265-Y1267 HydrophobicContact CB-CD2 4.25Å; V1265-Y1267 HydrophobicContact CB-CE2 4.06Å; V1265-Y1267 HydrophobicContact CG1-CD2 3.62Å; V1265-Y1267 HydrophobicContact CG1-CE1 4.36Å; V1265-Y1267 HydrophobicContact CG1-CE2 3.34Å; V1265-Y1267 HydrophobicContact CG1-CG 4.25Å; V1265-Y1267 PolarHBondContact O-N 3.26Å | ||
| 1266 | P | 30.1 | Very low | 42.1 | Very low | 117 Ų | 117 | 99.4 Ų | 99.4 | 76% | 0.76 | 56% | 0.562 | S | S | * | * | trans | -84.9 | 95.3 | 167.6 | 31.7 | -19.7 | 0 | 0 | 0 | 107 | S1264 D1268 | S1264-P1266 VanDerWaalsContact O-CD 3.23Å; S1264-P1266 WeakPolarHBondContact O-CD 3.44Å; P1266-D1268 PolarHBondContact O-N 3.12Å | ||
| 1267 | Y | 35.1 | Very low | 40.3 | Very low | 173 Ų | 173 | 105.6 Ų | 105.6 | 68% | 0.678 | 58% | 0.584 | S | S | * | * | trans | -78.8 | 107.7 | 164.6 | -78.7 | -73.1 | 0 | 0 | 0 | 107.7 | V1265 L1269 | V1265-Y1267 HydrophobicContact CB-CD2 4.25Å; V1265-Y1267 HydrophobicContact CB-CE2 4.06Å; V1265-Y1267 HydrophobicContact CG1-CD2 3.62Å; V1265-Y1267 HydrophobicContact CG1-CE1 4.36Å; V1265-Y1267 HydrophobicContact CG1-CE2 3.34Å; V1265-Y1267 HydrophobicContact CG1-CG 4.25Å; V1265-Y1267 PolarHBondContact O-N 3.26Å; Y1267-L1269 PolarHBondContact O-N 3.15Å | ||
| 1268 | D | 28.5 | Very low | 38.6 | Very low | 153 Ų | 153 | 111.3 Ų | 111.3 | 82% | 0.818 | 61% | 0.611 | S | S | * | * | trans | -47 | 112 | 156.4 | -90.2 | -32.4 | 0 | 0 | 0 | 108 | P1266 S1270 | P1266-D1268 PolarHBondContact O-N 3.12Å; D1268-S1270 PolarHBondContact O-N 3.1Å | ||
| 1269 | L | 32 | Very low | 37.2 | Very low | 166 Ų | 166 | 112.1 Ų | 112.1 | 87% | 0.869 | 61% | 0.607 | S | S | * | * | trans | -71.3 | 65.6 | -179.9 | -70.5 | 159.4 | 0 | 0 | 0 | 109.6 | Y1267 | Y1267-L1269 PolarHBondContact O-N 3.15Š| ||
| 1270 | S | 31.3 | Very low | 35.5 | Very low | 76 Ų | 76 | 117.4 Ų | 117.4 | 53% | 0.531 | 63% | 0.634 | S | S | . | * | trans | -80.1 | 134.7 | 163.7 | 63 | 0 | 0 | 0 | 0 | 108.8 | D1268 N1272 | D1268-S1270 PolarHBondContact O-N 3.1Å; S1270-N1272 PolarHBondContact O-N 3.02Å | ||
| 1271 | P | 33.6 | Very low | 33.7 | Very low | 126 Ų | 126 | 124.2 Ų | 124.2 | 82% | 0.818 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67 | -8 | -166.5 | -19.5 | 31.3 | 0 | 0 | 0 | 115.7 | ||
| 1272 | N | 29.1 | Very low | 32.3 | Very low | 148 Ų | 148 | 127.6 Ų | 127.6 | 79% | 0.791 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.7 | 14.1 | -161 | -74.1 | -8.8 | 0 | 0 | 0 | 115.6 | S1270 | S1270-N1272 PolarHBondContact O-N 3.02Š|
| 1273 | K | 22.4 | Very low | 31.4 | Very low | 184 Ų | 184 | 129.2 Ų | 129.2 | 80% | 0.8 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -127.5 | 120 | 167.6 | -80.2 | -174.4 | 175.9 | 178.6 | 0 | 111.6 | ||
| 1274 | H | 27.1 | Very low | 31.4 | Very low | 166 Ų | 166 | 134.5 Ų | 134.5 | 77% | 0.769 | 71% | 0.708 | S | S | * | * | trans | -56.1 | 132.7 | -179.8 | -82.3 | 20.6 | 0 | 0 | 0 | 111.9 | Q1276 | H1274-Q1276 PolarHBondContact O-N 2.82Å; H1274-Q1276 VanDerWaalsContact O-N 3.15Å | ||
| 1275 | I | 26.2 | Very low | 32.2 | Very low | 111 Ų | 111 | 131.7 Ų | 131.7 | 57% | 0.569 | 69% | 0.687 | S | S | * | * | trans | -67.1 | 107.3 | -179.8 | -56.6 | 166.4 | 0 | 0 | 0 | 108.5 | Y1277 | I1275-Y1277 VanDerWaalsContact C-N 3.33Å; I1275-Y1277 HydrophobicContact CB-CD2 3.97Å; I1275-Y1277 HydrophobicContact CB-CE2 3.64Å; I1275-Y1277 HydrophobicContact CD1-CE2 4.17Å; I1275-Y1277 HydrophobicContact CG2-CD1 4.23Å; I1275-Y1277 HydrophobicContact CG2-CD2 3.56Å; I1275-Y1277 HydrophobicContact CG2-CE1 4.08Å; I1275-Y1277 HydrophobicContact CG2-CE2 3.38Å; I1275-Y1277 HydrophobicContact CG2-CG 3.98Å; I1275-Y1277 WeakPolarHBondContact O-CD2 3.28Å; I1275-Y1277 PolarHBondContact O-N 2.86Å | ||
| 1276 | Q | 23.8 | Very low | 33.6 | Very low | 181 Ų | 181 | 128 Ų | 128 | 85% | 0.846 | 66% | 0.662 | S | S | * | * | trans | -71.3 | 91 | 166.5 | -80.7 | -175.5 | -13.8 | 0 | 0 | 108.5 | H1274 L1278 | H1274-Q1276 PolarHBondContact O-N 2.82Å; H1274-Q1276 VanDerWaalsContact O-N 3.15Å; Q1276-L1278 PolarHBondContact O-N 3.26Å | ||
| 1277 | Y | 25.8 | Very low | 35.4 | Very low | 149 Ų | 149 | 124.1 Ų | 124.1 | 58% | 0.584 | 64% | 0.635 | S | S | * | * | trans | -69.8 | 122.2 | 174.9 | -76.4 | -88.5 | 0 | 0 | 0 | 109.6 | I1275 S1279 R1632 | I1275-Y1277 VanDerWaalsContact C-N 3.33Å; I1275-Y1277 HydrophobicContact CB-CD2 3.97Å; I1275-Y1277 HydrophobicContact CB-CE2 3.64Å; I1275-Y1277 HydrophobicContact CD1-CE2 4.17Å; I1275-Y1277 HydrophobicContact CG2-CD1 4.23Å; I1275-Y1277 HydrophobicContact CG2-CD2 3.56Å; I1275-Y1277 HydrophobicContact CG2-CE1 4.08Å; I1275-Y1277 HydrophobicContact CG2-CE2 3.38Å; I1275-Y1277 HydrophobicContact CG2-CG 3.98Å; I1275-Y1277 WeakPolarHBondContact O-CD2 3.28Å; I1275-Y1277 PolarHBondContact O-N 2.86Å; Y1277-S1279 PolarHBondContact O-N 2.92Å; Y1277-R1632 PolarHBondContact O-NH1 2.89Å; Y1277-R1632 PolarHBondContact O-NH2 3.28Å | ||
| 1278 | L | 24.2 | Very low | 37 | Very low | 161 Ų | 161 | 120 Ų | 120 | 84% | 0.843 | 62% | 0.624 | S | S | * | * | trans | -51.2 | 123.6 | 171.5 | -88.6 | 140 | 0 | 0 | 0 | 110.3 | Q1276 I1280 R1632 | Q1276-L1278 PolarHBondContact O-N 3.26Å; L1278-I1280 PolarHBondContact O-N 3.06Å; L1278-R1632 PolarHBondContact O-NH1 3.26Å; L1278-R1632 PolarHBondContact O-NH2 3.19Å | ||
| 1279 | S | 28 | Very low | 38.9 | Very low | 81 Ų | 81 | 112.9 Ų | 112.9 | 57% | 0.566 | 59% | 0.586 | S | S | * | * | trans | -60.2 | 113.1 | 170.5 | 169.4 | 0 | 0 | 0 | 0 | 108.2 | Y1277 Q1281 | Y1277-S1279 PolarHBondContact O-N 2.92Å; S1279-Q1281 PolarHBondContact O-N 2.84Å | ||
| 1280 | I | 30 | Very low | 40.4 | Very low | 120 Ų | 120 | 108.3 Ų | 108.3 | 62% | 0.615 | 57% | 0.567 | S | S | * | * | trans | -76.4 | 86.3 | 173.5 | -57 | 165.1 | 0 | 0 | 0 | 105.5 | L1278 L1283 | L1278-I1280 PolarHBondContact O-N 3.06Å; I1280-L1283 HydrophobicContact CG2-CD1 3.53Å; I1280-L1283 HydrophobicContact CG2-CG 4.22Å | ||
| 1281 | Q | 29.9 | Very low | 41.5 | Very low | 152 Ų | 152 | 105.7 Ų | 105.7 | 71% | 0.71 | 55% | 0.548 | S | S | * | . | trans | -51.3 | 151.9 | 158.2 | -74.1 | -153.9 | -6.6 | 0 | 0 | 108.6 | S1279 L1283 | S1279-Q1281 PolarHBondContact O-N 2.84Å; Q1281-L1283 VanDerWaalsContact C-N 3.31Å; Q1281-L1283 PolarHBondContact O-N 2.93Å | ||
| 1282 | P | 33.7 | Very low | 42.1 | Very low | 124 Ų | 124 | 104 Ų | 104 | 81% | 0.805 | 54% | 0.54 | S | S | * | . | trans | -51.9 | 100.7 | 177.2 | 21 | -32.1 | 0 | 0 | 0 | 108.3 | E1284 | P1282-E1284 PolarHBondContact O-N 3.31Å; P1282-E1284 VanDerWaalsContact O-N 3.09Å | ||
| 1283 | L | 42.1 | Very low | 42.6 | Very low | 74 Ų | 74 | 104.3 Ų | 104.3 | 39% | 0.387 | 54% | 0.536 | S | S | . | . | trans | -56.2 | 122.7 | -170.4 | -97.2 | 141.1 | 0 | 0 | 0 | 107.1 | I1280 Q1281 I1287 | I1280-L1283 HydrophobicContact CG2-CD1 3.53Å; I1280-L1283 HydrophobicContact CG2-CG 4.22Å; Q1281-L1283 VanDerWaalsContact C-N 3.31Å; Q1281-L1283 PolarHBondContact O-N 2.93Å; L1283-I1287 HydrophobicContact CD2-CD1 3.5Å; L1283-I1287 HydrophobicContact CD2-CG1 3.82Å | ||
| 1284 | E | 51.7 | Low | 42.9 | Very low | 150 Ų | 150 | 100 Ų | 100 | 70% | 0.701 | 53% | 0.529 | S | S | * | . | trans | -49.3 | 138.2 | 164.4 | -68.9 | -169.1 | 168.2 | 0 | 0 | 107.4 | P1282 W1286 | P1282-E1284 PolarHBondContact O-N 3.31Å; P1282-E1284 VanDerWaalsContact O-N 3.09Å; E1284-W1286 PolarHBondContact O-N 2.84Å | ||
| 1285 | P | 57.2 | Low | 43 | Very low | 58 Ų | 58 | 96.9 Ų | 96.9 | 38% | 0.377 | 53% | 0.526 | S | S | . | . | S | Bend | trans | -58.8 | -20.7 | -174.1 | 20.4 | -30.8 | 0 | 0 | 0 | 112.9 | I915 A1253 | I915-P1285 HydrophobicContact CG1-CB 4.19Å; I915-P1285 HydrophobicContact CG2-CB 4.19Å; A1253-P1285 VanDerWaalsContact CA-O 3.32Å; A1253-P1285 WeakPolarHBondContact CA-O 3.17Å; A1253-P1285 WeakPolarHBondContact CB-O 3.28Å |
| 1286 | W | 64 | Low | 43.1 | Very low | 19 Ų | 19 | 99.4 Ų | 99.4 | 7% | 0.072 | 54% | 0.539 | C | S | . | . | trans | -111.9 | 129.9 | 176.5 | -67.4 | 97.9 | 0 | 0 | 0 | 110.6 | I915 L916 T919 R1251 I1252 A1253 E1284 V1408 Q1410 Y1431 | I915-W1286 HydrophobicContact CG2-CZ2 3.84Å; I915-W1286 PolarHBondContact O-NE1 2.76Å; L916-W1286 HydrophobicContact CD2-CH2 4.25Å; L916-W1286 HydrophobicContact CD2-CZ2 3.93Å; T919-W1286 VanDerWaalsContact CG2-NE1 3.29Å; R1251-W1286 HydrophobicContact CB-CB 4.3Å; R1251-W1286 HydrophobicContact CB-CD2 4.41Å; R1251-W1286 HydrophobicContact CB-CE3 3.66Å; R1251-W1286 HydrophobicContact CB-CZ3 4.41Å; I1252-W1286 WeakPolarHBondContact O-CA 2.86Å; A1253-W1286 HydrophobicContact CB-CD2 3.75Å; A1253-W1286 HydrophobicContact CB-CE3 3.59Å; A1253-W1286 HydrophobicContact CB-CG 4.44Å; A1253-W1286 HydrophobicContact CB-CH2 3.91Å; A1253-W1286 HydrophobicContact CB-CZ2 4.06Å; A1253-W1286 HydrophobicContact CB-CZ3 3.67Å; E1284-W1286 PolarHBondContact O-N 2.84Å; W1286-V1408 HydrophobicContact CH2-CB 4.3Å; W1286-V1408 HydrophobicContact CH2-CG1 3.91Å; W1286-V1408 WeakPolarHBondContact CZ3-O 3.46Å; W1286-Q1410 HydrophobicContact CE3-CB 4.02Å; W1286-Q1410 HydrophobicContact CH2-CB 3.69Å; W1286-Q1410 HydrophobicContact CZ2-CB 4.48Å; W1286-Q1410 HydrophobicContact CZ3-CB 3.42Å; W1286-Q1410 VanDerWaalsContact CZ3-CB 3.42Å; W1286-Y1431 AromaticContact CH2-CD1 3.84Å; W1286-Y1431 HydrophobicContact CH2-CD1 3.84Å; W1286-Y1431 AromaticContact CH2-CE1 3.82Å; W1286-Y1431 HydrophobicContact CH2-CE1 3.82Å; W1286-Y1431 HydrophobicContact CZ2-CD1 4.41Å; W1286-Y1431 AromaticContact CZ2-CE1 3.99Å; W1286-Y1431 HydrophobicContact CZ2-CE1 3.99Å | ||
| 1287 | I | 68.8 | Low | 43.2 | Very low | 34 Ų | 34 | 98.3 Ų | 98.3 | 17% | 0.174 | 54% | 0.539 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 127 | 173.7 | -52.6 | 177.8 | 0 | 0 | 0 | 108 | R1251 I1252 F1260 F1262 L1283 | R1251-I1287 CarbonylContact C-O 3.55Å; R1251-I1287 WeakPolarHBondContact CA-O 3.36Å; I1252-I1287 PolarHBondContact N-O 3.06Å; I1252-I1287 PolarHBondContact O-N 2.85Å; F1260-I1287 HydrophobicContact CD2-CD1 4.23Å; F1260-I1287 HydrophobicContact CE2-CD1 3.59Å; F1260-I1287 HydrophobicContact CE2-CG1 4.38Å; F1260-I1287 HydrophobicContact CZ-CD1 4.02Å; F1262-I1287 HydrophobicContact CD2-CG2 4.27Å; L1283-I1287 HydrophobicContact CD2-CD1 3.5Å; L1283-I1287 HydrophobicContact CD2-CG1 3.82Å |
| 1288 | D | 67.2 | Low | 43.2 | Very low | 87 Ų | 87 | 98.8 Ų | 98.8 | 47% | 0.465 | 55% | 0.552 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -66 | 137.6 | 174.7 | -69.9 | -25.5 | 0 | 0 | 0 | 110.7 | R1251 P1290 | R1251-D1288 WeakPolarHBondContact CD-OD1 3.41Å; R1251-D1288 WeakPolarHBondContact CG-OD1 3.4Å; R1251-D1288 IonicContact NE-OD1 3.51Å; D1288-P1290 WeakPolarHBondContact O-CD 3.32Å |
| 1289 | V | 69.3 | Low | 43.2 | Very low | 3 Ų | 3 | 95.3 Ų | 95.3 | 2% | 0.018 | 54% | 0.542 | C | S | . | . | trans | -83.6 | 116.4 | 179.1 | 177.4 | 0 | 0 | 0 | 0 | 109.7 | L1239 L1250 I1252 C1291 | L1239-V1289 HydrophobicContact CD1-CG1 3.55Å; L1250-V1289 HydrophobicContact CB-CB 4Å; L1250-V1289 HydrophobicContact CB-CG2 4.3Å; L1250-V1289 WeakPolarHBondContact O-CB 3.27Å; L1250-V1289 WeakPolarHBondContact O-CG2 3.35Å; L1250-V1289 PolarHBondContact O-N 2.86Å; I1252-V1289 HydrophobicContact CB-CG2 4.49Å; I1252-V1289 HydrophobicContact CD1-CG2 3.39Å; I1252-V1289 HydrophobicContact CG1-CG2 3.58Å; V1289-C1291 PolarHBondContact O-N 3.42Å; V1289-C1291 PolarHBondContact O-SG 3.09Å | ||
| 1290 | P | 64.2 | Low | 43.2 | Very low | 71 Ų | 71 | 102.5 Ų | 102.5 | 46% | 0.461 | 56% | 0.558 | S | S | . | * | trans | -75.8 | 94.5 | -173.2 | 28 | -33 | 0 | 0 | 0 | 112.4 | F1262 D1288 Q1317 | F1262-P1290 HydrophobicContact CB-CG 4.4Å; D1288-P1290 WeakPolarHBondContact O-CD 3.32Å; P1290-Q1317 PolarHBondContact O-NE2 3.26Å | ||
| 1291 | C | 52.4 | Low | 43 | Very low | 20 Ų | 20 | 101.2 Ų | 101.2 | 14% | 0.135 | 56% | 0.56 | C | S | . | * | trans | -91.2 | 3.8 | -170.9 | -63.9 | 0 | 0 | 0 | 0 | 115.9 | V1289 H1293 I1315 | V1289-C1291 PolarHBondContact O-N 3.42Å; V1289-C1291 PolarHBondContact O-SG 3.09Å; C1291-H1293 PolarHBondContact O-N 2.84Å; C1291-I1315 HydrophobicContact CB-CD1 3.4Å; C1291-I1315 VanDerWaalsContact CB-CD1 3.4Å; C1291-I1315 VanDerWaalsContact SG-CD1 3.53Å | ||
| 1292 | S | 47.2 | Very low | 43.1 | Very low | 92 Ų | 92 | 101.6 Ų | 101.6 | 64% | 0.643 | 57% | 0.572 | S | S | * | * | trans | -79.5 | 117.7 | -178.8 | 57.5 | 0 | 0 | 0 | 0 | 111.5 | S1294 | S1292-S1294 PolarHBondContact O-N 3.4Š| ||
| 1293 | H | 39 | Very low | 43.1 | Very low | 154 Ų | 154 | 98.2 Ų | 98.2 | 71% | 0.713 | 56% | 0.56 | S | S | * | * | trans | -77.5 | 6.8 | 166.5 | -90.3 | -72.2 | 0 | 0 | 0 | 113.9 | C1291 S1295 | C1291-H1293 PolarHBondContact O-N 2.84Å; H1293-S1295 PolarHBondContact O-N 2.92Å | ||
| 1294 | S | 29.2 | Very low | 43.1 | Very low | 92 Ų | 92 | 103.7 Ų | 103.7 | 64% | 0.643 | 58% | 0.581 | S | S | * | * | trans | -74.6 | 99.7 | -178 | 57.5 | 0 | 0 | 0 | 0 | 111 | S1292 | S1292-S1294 PolarHBondContact O-N 3.4Š| ||
| 1295 | S | 29.4 | Very low | 42.4 | Very low | 102 Ų | 102 | 105.1 Ų | 105.1 | 71% | 0.713 | 59% | 0.588 | S | S | * | * | trans | -39.5 | 133.4 | 152.9 | 51 | 0 | 0 | 0 | 0 | 110.8 | H1293 N1297 | H1293-S1295 PolarHBondContact O-N 2.92Å; S1295-N1297 PolarHBondContact O-N 3.46Å | ||
| 1296 | L | 27.7 | Very low | 42.1 | Very low | 163 Ų | 163 | 106.8 Ų | 106.8 | 85% | 0.853 | 60% | 0.599 | S | S | * | * | trans | 28 | 94.4 | 158.4 | -87.5 | 74.3 | 0 | 0 | 0 | 115.1 | ||||
| 1297 | N | 25.9 | Very low | 42 | Very low | 158 Ų | 158 | 108 Ų | 108 | 85% | 0.845 | 61% | 0.61 | S | S | * | * | trans | -152.3 | 112.1 | 135.6 | -104.2 | -19.6 | 0 | 0 | 0 | 110.6 | S1295 S1299 | S1295-N1297 PolarHBondContact O-N 3.46Å; N1297-S1299 PolarHBondContact O-N 3.25Å | ||
| 1298 | N | 26.2 | Very low | 42.3 | Very low | 159 Ų | 159 | 109.7 Ų | 109.7 | 85% | 0.85 | 62% | 0.622 | S | S | * | * | trans | -82.3 | 83.2 | -178.4 | -153.5 | 20.8 | 0 | 0 | 0 | 107.1 | ||||
| 1299 | S | 24.1 | Very low | 42.9 | Very low | 89 Ų | 89 | 105.7 Ų | 105.7 | 62% | 0.622 | 60% | 0.6 | S | S | * | * | trans | -138.9 | 121.5 | 167.6 | 62.5 | 0 | 0 | 0 | 0 | 110.8 | N1297 S1301 | N1297-S1299 PolarHBondContact O-N 3.25Å; S1299-S1301 PolarHBondContact O-N 3.21Å | ||
| 1300 | Y | 28.7 | Very low | 43.4 | Very low | 231 Ų | 231 | 110.3 Ų | 110.3 | 91% | 0.906 | 62% | 0.623 | S | S | * | * | trans | -56.2 | 94.8 | 176.2 | -61.1 | -91.8 | 0 | 0 | 0 | 110.2 | ||||
| 1301 | S | 25.5 | Very low | 44.1 | Very low | 94 Ų | 94 | 109.3 Ų | 109.3 | 66% | 0.657 | 62% | 0.616 | S | S | * | * | trans | -120.6 | 114.1 | 162.2 | 59 | 0 | 0 | 0 | 0 | 108.2 | S1299 G1303 | S1299-S1301 PolarHBondContact O-N 3.21Å; S1301-G1303 PolarHBondContact O-N 2.91Å | ||
| 1302 | T | 32.7 | Very low | 45.2 | Very low | 159 Ų | 159 | 111.2 Ų | 111.2 | 98% | 0.975 | 64% | 0.639 | S | S | * | * | trans | -70.7 | 16.2 | -176.7 | 41.3 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1303 | G | 32.5 | Very low | 46.8 | Very low | 54 Ų | 54 | 109.7 Ų | 109.7 | 56% | 0.557 | 63% | 0.626 | S | S | * | * | trans | -102.5 | 86.6 | 171 | 0 | 0 | 0 | 0 | 0 | 109.8 | S1301 Q1305 | S1301-G1303 PolarHBondContact O-N 2.91Å; G1303-Q1305 VanDerWaalsContact C-N 3.28Å; G1303-Q1305 PolarHBondContact O-N 3.42Å | ||
| 1304 | K | 41.8 | Very low | 48.8 | Very low | 189 Ų | 189 | 105.7 Ų | 105.7 | 82% | 0.822 | 61% | 0.612 | S | S | * | * | trans | -58 | 94.7 | 167 | -80.2 | -176.4 | 174.9 | -175.5 | 0 | 107.7 | ||||
| 1305 | Q | 38.1 | Very low | 51.4 | Low | 180 Ų | 180 | 102 Ų | 102 | 84% | 0.841 | 59% | 0.585 | S | S | * | * | trans | -60.9 | 126.9 | 170.1 | -80.6 | -162.2 | -8 | 0 | 0 | 107.5 | G1303 S1307 | G1303-Q1305 VanDerWaalsContact C-N 3.28Å; G1303-Q1305 PolarHBondContact O-N 3.42Å; Q1305-S1307 PolarHBondContact O-N 3.28Å; Q1305-S1307 VanDerWaalsContact O-N 3.13Å | ||
| 1306 | P | 49.6 | Very low | 53.8 | Low | 93 Ų | 93 | 100.5 Ų | 100.5 | 60% | 0.604 | 57% | 0.572 | S | S | * | * | trans | -63.2 | 120.3 | 176.2 | 25.8 | -31.4 | 0 | 0 | 0 | 107.5 | T1248 V1308 | T1248-P1306 HydrophobicContact CG2-CB 4.48Å; P1306-V1308 PolarHBondContact O-N 2.69Å; P1306-V1308 VanDerWaalsContact O-N 3.1Å | ||
| 1307 | S | 63.5 | Low | 56.2 | Low | 44 Ų | 44 | 93.7 Ų | 93.7 | 31% | 0.308 | 54% | 0.536 | S | S | . | . | trans | -59.4 | 114.8 | 174.7 | 35.4 | 0 | 0 | 0 | 0 | 110.7 | Q1305 | Q1305-S1307 PolarHBondContact O-N 3.28Å; Q1305-S1307 VanDerWaalsContact O-N 3.13Å | ||
| 1308 | V | 73.4 | Confident | 58.5 | Low | 69 Ų | 69 | 90 Ų | 90 | 42% | 0.418 | 51% | 0.513 | S | S | . | . | trans | -96.8 | 129.2 | 176.6 | -174.6 | 0 | 0 | 0 | 0 | 109.7 | P1246 L1247 T1248 P1306 M1310 T1414 | P1246-V1308 HydrophobicContact CB-CG1 3.92Å; L1247-V1308 CarbonylContact O-C 3.5Å; L1247-V1308 VanDerWaalsContact O-CA 3.28Å; L1247-V1308 WeakPolarHBondContact O-CA 3.15Å; T1248-V1308 HydrophobicContact CG2-CB 4.28Å; T1248-V1308 HydrophobicContact CG2-CG1 4.43Å; T1248-V1308 HydrophobicContact CG2-CG2 3.65Å; P1306-V1308 PolarHBondContact O-N 2.69Å; P1306-V1308 VanDerWaalsContact O-N 3.1Å; V1308-M1310 HydrophobicContact CG1-SD 4Å; V1308-T1414 HydrophobicContact CB-CG2 4.5Å; V1308-T1414 HydrophobicContact CG1-CG2 3.59Å; V1308-T1414 HydrophobicContact CG2-CG2 4.16Å | ||
| 1309 | L | 79.9 | Confident | 61 | Low | 4 Ų | 4 | 82.6 Ų | 82.6 | 2% | 0.021 | 47% | 0.473 | C | S | . | . | B | Isolated β-bridge | trans | -104.5 | 107.8 | 172.4 | -176.9 | 73.1 | 0 | 0 | 0 | 109.7 | L1216 N1241 L1247 L1250 T1313 I1315 | L1216-L1309 HydrophobicContact CD1-CD2 3.74Å; N1241-L1309 HydrophobicContact CB-CD2 3.77Å; N1241-L1309 HydrophobicContact CB-CG 3.84Å; N1241-L1309 PolarHBondContact ND2-O 2.75Å; L1247-L1309 HydrophobicContact CB-CB 4.34Å; L1247-L1309 PolarHBondContact N-O 2.91Å; L1247-L1309 PolarHBondContact O-N 3Å; L1250-L1309 HydrophobicContact CD1-CB 4.08Å; L1250-L1309 HydrophobicContact CD1-CD2 3.98Å; L1309-T1313 WeakPolarHBondContact CD1-OG1 3.49Å; L1309-I1315 HydrophobicContact CD1-CB 4.47Å; L1309-I1315 HydrophobicContact CD1-CD1 3.46Å; L1309-I1315 VanDerWaalsContact CD1-CD1 3.46Å; L1309-I1315 HydrophobicContact CD1-CG1 3.54Å |
| 1310 | M | 81.1 | Confident | 63.5 | Low | 100 Ų | 100 | 82.8 Ų | 82.8 | 49% | 0.493 | 46% | 0.46 | S | S | . | . | trans | -69.6 | 151.7 | -177 | -63.7 | -58.3 | -68.3 | 0 | 0 | 112.3 | N1241 P1246 V1308 G1312 T1313 | N1241-M1310 WeakPolarHBondContact CB-O 3.28Å; N1241-M1310 VanDerWaalsContact ND2-C 3.32Å; N1241-M1310 PolarHBondContact ND2-O 2.98Å; P1246-M1310 HydrophobicContact CB-CE 4.46Å; P1246-M1310 HydrophobicContact CB-SD 3.89Å; P1246-M1310 HydrophobicContact CG-CE 4.01Å; P1246-M1310 HydrophobicContact CG-SD 4.08Å; V1308-M1310 HydrophobicContact CG1-SD 4Å; M1310-G1312 PolarHBondContact O-N 3.18Å; M1310-T1313 HydrophobicContact CB-CG2 3.81Å; M1310-T1313 PolarHBondContact N-OG1 3.42Å; M1310-T1313 VanDerWaalsContact N-OG1 3.16Å; M1310-T1313 WeakPolarHBondContact O-CB 3.37Å; M1310-T1313 PolarHBondContact O-N 3.44Å; M1310-T1313 PolarHBondContact O-OG1 3.02Å | ||
| 1311 | P | 78.2 | Confident | 65.6 | Low | 50 Ų | 50 | 72 Ų | 72 | 33% | 0.325 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.1 | 131.8 | 174.1 | -31.3 | 40 | 0 | 0 | 0 | 112.5 | N1241 G1243 L1244 P1246 T1313 | N1241-P1311 WeakPolarHBondContact ND2-CA 3.47Å; N1241-P1311 VanDerWaalsContact ND2-N 3.18Å; G1243-P1311 WeakPolarHBondContact O-CB 3.35Å; L1244-P1311 WeakPolarHBondContact O-CG 3.49Å; P1246-P1311 HydrophobicContact CG-CG 4.29Å; P1311-T1313 PolarHBondContact O-N 3.48Å |
| 1312 | G | 75.6 | Confident | 67.5 | Low | 59 Ų | 59 | 71.9 Ų | 71.9 | 61% | 0.608 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.7 | -10.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | N1241 M1310 | N1241-G1312 VanDerWaalsContact O-CA 3.32Å; N1241-G1312 WeakPolarHBondContact O-CA 3.31Å; N1241-G1312 PolarHBondContact O-N 3.05Å; M1310-G1312 PolarHBondContact O-N 3.18Å |
| 1313 | T | 81.5 | Confident | 69 | Low | 61 Ų | 61 | 64.3 Ų | 64.3 | 37% | 0.374 | 36% | 0.357 | S | S | . | . | trans | -79.5 | 146.2 | 178.8 | 64.2 | 0 | 0 | 0 | 0 | 111.9 | T1240 N1241 L1309 M1310 P1311 | T1240-T1313 WeakPolarHBondContact CA-O 3.27Å; N1241-T1313 PolarHBondContact N-O 2.86Å; L1309-T1313 WeakPolarHBondContact CD1-OG1 3.49Å; M1310-T1313 HydrophobicContact CB-CG2 3.81Å; M1310-T1313 PolarHBondContact N-OG1 3.42Å; M1310-T1313 VanDerWaalsContact N-OG1 3.16Å; M1310-T1313 WeakPolarHBondContact O-CB 3.37Å; M1310-T1313 PolarHBondContact O-N 3.44Å; M1310-T1313 PolarHBondContact O-OG1 3.02Å; P1311-T1313 PolarHBondContact O-N 3.48Å | ||
| 1314 | T | 81.3 | Confident | 70.4 | Confident | 69 Ų | 69 | 63.2 Ų | 63.2 | 42% | 0.423 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 130 | 178.6 | -58.1 | 0 | 0 | 0 | 0 | 110.5 | L1239 T1240 | L1239-T1314 CarbonylContact O-C 3.3Å; L1239-T1314 VanDerWaalsContact O-CA 3.26Å; L1239-T1314 WeakPolarHBondContact O-CA 3.38Å; T1240-T1314 WeakPolarHBondContact CB-OG1 3.38Å; T1240-T1314 VanDerWaalsContact CG2-OG1 3.22Å; T1240-T1314 WeakPolarHBondContact CG2-OG1 3.27Å; T1240-T1314 VanDerWaalsContact OG1-CG2 3.26Å; T1240-T1314 WeakPolarHBondContact OG1-CG2 3.32Å; T1240-T1314 PolarHBondContact OG1-OG1 3.36Å |
| 1315 | I | 82.4 | Confident | 70.9 | Confident | 14 Ų | 14 | 58 Ų | 58 | 7% | 0.072 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 132.8 | 172.6 | -66.7 | 175 | 0 | 0 | 0 | 108.4 | S1238 L1239 C1291 L1309 Q1317 | S1238-I1315 CarbonylContact C-O 3.38Å; S1238-I1315 VanDerWaalsContact CA-O 3.32Å; S1238-I1315 WeakPolarHBondContact CA-O 3.29Å; L1239-I1315 PolarHBondContact N-O 3.5Å; L1239-I1315 PolarHBondContact O-N 2.91Å; C1291-I1315 HydrophobicContact CB-CD1 3.4Å; C1291-I1315 VanDerWaalsContact CB-CD1 3.4Å; C1291-I1315 VanDerWaalsContact SG-CD1 3.53Å; L1309-I1315 HydrophobicContact CD1-CB 4.47Å; L1309-I1315 HydrophobicContact CD1-CD1 3.46Å; L1309-I1315 VanDerWaalsContact CD1-CD1 3.46Å; L1309-I1315 HydrophobicContact CD1-CG1 3.54Å; I1315-Q1317 HydrophobicContact CG2-CG 3.99Å |
| 1316 | T | 80.8 | Confident | 71.5 | Confident | 72 Ų | 72 | 51 Ų | 51 | 44% | 0.442 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 129.6 | 175.1 | -56.8 | 0 | 0 | 0 | 0 | 110.6 | I1237 S1238 | I1237-T1316 CarbonylContact O-C 3.58Å; I1237-T1316 VanDerWaalsContact O-CA 3.24Å; I1237-T1316 WeakPolarHBondContact O-CA 3.31Å; S1238-T1316 PolarHBondContact OG-OG1 3.21Å |
| 1317 | Q | 76.9 | Confident | 71.1 | Confident | 19 Ų | 19 | 49.9 Ų | 49.9 | 9% | 0.089 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 148.5 | -177 | -73.1 | 153.2 | -21.9 | 0 | 0 | 111.2 | Q1236 I1237 F1262 P1290 I1315 | Q1236-Q1317 PolarHBondContact OE1-O 3.04Å; I1237-Q1317 PolarHBondContact N-O 2.93Å; I1237-Q1317 PolarHBondContact O-N 3.14Å; F1262-Q1317 HydrophobicContact CD1-CB 4.34Å; F1262-Q1317 HydrophobicContact CE1-CB 4.08Å; P1290-Q1317 PolarHBondContact O-NE2 3.26Å; I1315-Q1317 HydrophobicContact CG2-CG 3.99Å |
| 1318 | K | 75 | Confident | 69.6 | Low | 82 Ų | 82 | 55.3 Ų | 55.3 | 36% | 0.357 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 116.6 | 174.6 | -163.7 | 171.2 | -176.6 | 176.2 | 0 | 110 | S1234 W1320 | S1234-K1318 WeakPolarHBondContact OG-CE 3.32Å; K1318-W1320 HydrophobicContact CD-CZ2 4Å; K1318-W1320 VanDerWaalsContact CE-CZ2 3.48Å |
| 1319 | L | 78.8 | Confident | 67.5 | Low | 2 Ų | 2 | 57.2 Ų | 57.2 | 1% | 0.01 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 130.2 | 171.8 | -173.5 | 74.9 | 0 | 0 | 0 | 109.7 | F1220 S1234 V1235 I1237 F1260 F1262 L1321 | F1220-L1319 HydrophobicContact CE1-CD2 4.42Å; S1234-L1319 CarbonylContact C-O 3.55Å; S1234-L1319 WeakPolarHBondContact CA-O 3.32Å; V1235-L1319 PolarHBondContact N-O 3.06Å; V1235-L1319 PolarHBondContact O-N 3.25Å; I1237-L1319 HydrophobicContact CD1-CB 3.4Å; I1237-L1319 HydrophobicContact CD1-CD1 4.25Å; I1237-L1319 HydrophobicContact CD1-CD2 3.44Å; I1237-L1319 VanDerWaalsContact CD1-CD2 3.44Å; I1237-L1319 HydrophobicContact CD1-CG 3.84Å; I1237-L1319 HydrophobicContact CG1-CB 3.83Å; F1260-L1319 HydrophobicContact CB-CD1 3.97Å; F1260-L1319 HydrophobicContact CB-CD2 4.16Å; F1260-L1319 HydrophobicContact CB-CG 4.24Å; F1260-L1319 HydrophobicContact CD2-CD1 3.82Å; F1260-L1319 HydrophobicContact CG-CD1 4.31Å; F1262-L1319 HydrophobicContact CD1-CD1 4.33Å; F1262-L1319 HydrophobicContact CD2-CD1 4.16Å; F1262-L1319 HydrophobicContact CE1-CD1 3.92Å; F1262-L1319 HydrophobicContact CE2-CD1 3.7Å; F1262-L1319 HydrophobicContact CG-CD1 4.44Å; F1262-L1319 HydrophobicContact CZ-CD1 3.56Å; L1319-L1321 HydrophobicContact CD2-CD2 3.64Å; L1319-L1321 HydrophobicContact CD2-CG 4.28Å; L1319-L1321 HydrophobicContact CG-CD2 4.34Å |
| 1320 | W | 75.6 | Confident | 64.9 | Low | 93 Ų | 93 | 67 Ų | 67 | 35% | 0.352 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 130.4 | 170.9 | -62 | 89.5 | 0 | 0 | 0 | 109.6 | I1232 C1233 F1260 A1261 G1263 K1318 | I1232-W1320 HydrophobicContact CG2-CE3 3.82Å; I1232-W1320 HydrophobicContact CG2-CZ3 4.46Å; C1233-W1320 CarbonylContact O-C 3.48Å; F1260-W1320 CarbonylContact C-O 3.51Å; F1260-W1320 WeakPolarHBondContact CA-O 3.49Å; A1261-W1320 PolarHBondContact N-O 3.34Å; A1261-W1320 PolarHBondContact O-N 3.05Å; G1263-W1320 PolarHBondContact O-NE1 3.18Å; K1318-W1320 HydrophobicContact CD-CZ2 4Å; K1318-W1320 VanDerWaalsContact CE-CZ2 3.48Å |
| 1321 | L | 73.1 | Confident | 62.5 | Low | 4 Ų | 4 | 66.3 Ų | 66.3 | 2% | 0.021 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 137.4 | 176.9 | -63.8 | 177.2 | 0 | 0 | 0 | 109.7 | F1223 P1224 I1232 C1233 V1235 L1259 F1260 L1319 | F1223-L1321 HydrophobicContact CD2-CD1 4.3Å; F1223-L1321 HydrophobicContact CE1-CD1 4.47Å; F1223-L1321 HydrophobicContact CE2-CD1 3.85Å; F1223-L1321 HydrophobicContact CE2-CD2 4.45Å; F1223-L1321 HydrophobicContact CZ-CD1 3.94Å; P1224-L1321 HydrophobicContact CG-CD1 3.85Å; I1232-L1321 CarbonylContact C-O 3.5Å; I1232-L1321 VanDerWaalsContact CA-O 3.24Å; I1232-L1321 WeakPolarHBondContact CA-O 3.42Å; C1233-L1321 PolarHBondContact N-O 2.85Å; C1233-L1321 PolarHBondContact O-N 2.99Å; V1235-L1321 HydrophobicContact CB-CD1 4.47Å; V1235-L1321 HydrophobicContact CG2-CD1 3.55Å; V1235-L1321 HydrophobicContact CG2-CG 4.22Å; L1259-L1321 HydrophobicContact CD2-CD2 4.23Å; L1259-L1321 HydrophobicContact CG-CD2 4.31Å; L1259-L1321 CarbonylContact O-C 3.47Å; L1259-L1321 VanDerWaalsContact O-CA 3.23Å; L1259-L1321 WeakPolarHBondContact O-CA 3.41Å; F1260-L1321 HydrophobicContact CB-CD2 3.97Å; L1319-L1321 HydrophobicContact CD2-CD2 3.64Å; L1319-L1321 HydrophobicContact CD2-CG 4.28Å; L1319-L1321 HydrophobicContact CG-CD2 4.34Å |
| 1322 | R | 65 | Low | 59.9 | Low | 93 Ų | 93 | 72.9 Ų | 72.9 | 35% | 0.351 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 134.8 | 177.2 | -176.8 | -176.9 | 179.1 | -173.4 | 4 | 111.5 | Q1231 I1232 L1259 P1324 Y1325 | Q1231-R1322 CarbonylContact O-C 3.5Å; Q1231-R1322 VanDerWaalsContact O-CA 3.23Å; Q1231-R1322 WeakPolarHBondContact O-CA 3.49Å; I1232-R1322 HydrophobicContact CG1-CB 4.31Å; I1232-R1322 HydrophobicContact CG1-CG 4.11Å; L1259-R1322 WeakPolarHBondContact CD1-O 3.26Å; L1259-R1322 PolarHBondContact O-N 2.77Å; R1322-P1324 WeakPolarHBondContact O-CD 3.29Å; R1322-Y1325 VanDerWaalsContact NH2-CE2 3.3Å; R1322-Y1325 PolarHBondContact NH2-OH 3.17Å |
| 1323 | G | 64.6 | Low | 57.3 | Low | 0 Ų | 0 | 81.6 Ų | 81.6 | 0% | 0 | 38% | 0.379 | C | S | . | . | P | Polyproline II helix | trans | -68 | 118.2 | 176 | 0 | 0 | 0 | 0 | 0 | 111.1 | G1230 Q1231 | G1230-G1323 WeakPolarHBondContact CA-O 3.48Å; G1230-G1323 PolarHBondContact N-O 3.37Å; Q1231-G1323 PolarHBondContact O-N 3.21Å |
| 1324 | P | 61.3 | Low | 54.5 | Low | 31 Ų | 31 | 88 Ų | 88 | 20% | 0.201 | 40% | 0.397 | C | S | . | . | P | Polyproline II helix | trans | -64.3 | 147.8 | 173.9 | 27.2 | -35.5 | 0 | 0 | 0 | 111 | R1322 K1403 L1440 | R1322-P1324 WeakPolarHBondContact O-CD 3.29Å; P1324-K1403 HydrophobicContact CG-CD 4.38Å; P1324-L1440 HydrophobicContact CG-CD1 3.81Å; P1324-L1440 HydrophobicContact CG-CD2 3.96Å |
| 1325 | Y | 53.8 | Low | 51.6 | Low | 80 Ų | 80 | 93.2 Ų | 93.2 | 31% | 0.314 | 42% | 0.416 | S | S | . | . | P | Polyproline II helix | trans | -66.7 | 135.9 | 176.1 | -64.6 | -82.4 | 0 | 0 | 0 | 112.1 | E1229 R1322 | E1229-Y1325 HydrophobicContact CG-CD1 3.59Å; E1229-Y1325 HydrophobicContact CG-CE1 4.22Å; E1229-Y1325 HydrophobicContact CG-CG 4.35Å; E1229-Y1325 WeakPolarHBondContact OE1-CA 3.38Å; E1229-Y1325 VanDerWaalsContact OE1-CB 3.3Å; E1229-Y1325 WeakPolarHBondContact OE1-CB 3.48Å; E1229-Y1325 VanDerWaalsContact OE1-CD1 3.3Å; E1229-Y1325 WeakPolarHBondContact OE1-CD1 3.34Å; R1322-Y1325 VanDerWaalsContact NH2-CE2 3.3Å; R1322-Y1325 PolarHBondContact NH2-OH 3.17Å |
| 1326 | L | 51.2 | Low | 48.7 | Very low | 32 Ų | 32 | 102.7 Ų | 102.7 | 17% | 0.168 | 45% | 0.451 | C | S | . | . | S | Bend | trans | -80.5 | -28.8 | 175.6 | -71.2 | 170.9 | 0 | 0 | 0 | 110.7 | E1229 Y1328 Q1401 L1440 | E1229-L1326 PolarHBondContact OE1-N 3.23Å; L1326-Y1328 VanDerWaalsContact C-N 3.25Å; L1326-Y1328 PolarHBondContact O-N 3.38Å; L1326-Q1401 HydrophobicContact CD2-CB 3.79Å; L1326-Q1401 HydrophobicContact CD2-CG 3.86Å; L1326-Q1401 VanDerWaalsContact CD2-OE1 3.26Å; L1326-L1440 HydrophobicContact CD2-CB 3.87Å; L1326-L1440 HydrophobicContact CD2-CD1 4.34Å; L1326-L1440 HydrophobicContact CG-CB 4.47Å |
| 1327 | T | 39.9 | Very low | 45.9 | Very low | 70 Ų | 70 | 105.9 Ų | 105.9 | 43% | 0.429 | 47% | 0.465 | S | S | . | . | trans | -79.2 | 65.2 | -179.8 | 59.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1328 | Y | 33.3 | Very low | 43.3 | Very low | 158 Ų | 158 | 109 Ų | 109 | 62% | 0.62 | 49% | 0.489 | S | S | * | . | trans | -148.6 | 80 | 162.2 | -104.3 | -80.5 | 0 | 0 | 0 | 111.6 | L1326 G1634 | L1326-Y1328 VanDerWaalsContact C-N 3.25Å; L1326-Y1328 PolarHBondContact O-N 3.38Å; Y1328-G1634 PolarHBondContact OH-O 2.75Å | ||
| 1329 | P | 28 | Very low | 40.8 | Very low | 108 Ų | 108 | 116 Ų | 116 | 70% | 0.701 | 52% | 0.515 | S | S | * | . | trans | -94.4 | -14.8 | 173.7 | -6.3 | 26.2 | 0 | 0 | 0 | 115.2 | ||||
| 1330 | Y | 26.2 | Very low | 38 | Very low | 211 Ų | 211 | 121.3 Ų | 121.3 | 83% | 0.827 | 55% | 0.552 | S | S | * | * | trans | -120.8 | 85.6 | -168.1 | -76.8 | -83.4 | 0 | 0 | 0 | 114 | ||||
| 1331 | S | 29.2 | Very low | 35.4 | Very low | 85 Ų | 85 | 125.8 Ų | 125.8 | 59% | 0.594 | 58% | 0.576 | S | S | * | * | S | Bend | trans | -170.9 | 57.7 | 153.8 | -85.4 | 0 | 0 | 0 | 0 | 112 | ||
| 1332 | R | 24.7 | Very low | 32.9 | Very low | 188 Ų | 188 | 137.1 Ų | 137.1 | 71% | 0.709 | 62% | 0.619 | S | S | * | * | trans | -142.9 | 25.3 | 159.8 | -74.4 | -162.1 | -165.1 | 168.8 | 8 | 113.5 | M907 R1334 | M907-R1332 PolarHBondContact SD-NH1 2.78Å; R1332-R1334 PolarHBondContact O-N 2.76Å | ||
| 1333 | R | 21.3 | Very low | 30.7 | Very low | 242 Ų | 242 | 143.1 Ų | 143.1 | 91% | 0.913 | 64% | 0.643 | S | S | * | * | trans | -72.2 | 92.4 | 157.9 | -106.2 | -175.1 | 178.6 | 171.7 | 0.4 | 107 | H1335 | R1333-H1335 PolarHBondContact O-N 3.02Š| ||
| 1334 | R | 21.7 | Very low | 28.6 | Very low | 195 Ų | 195 | 149 Ų | 149 | 74% | 0.736 | 68% | 0.681 | S | S | * | * | trans | -44.3 | 109.1 | 167.8 | -67.2 | 174.5 | 173.9 | 159.2 | -3.3 | 107.9 | R1332 R1336 | R1332-R1334 PolarHBondContact O-N 2.76Å; R1334-R1336 PolarHBondContact O-N 3.24Å | ||
| 1335 | H | 21.7 | Very low | 26.7 | Very low | 178 Ų | 178 | 156.7 Ų | 156.7 | 82% | 0.824 | 71% | 0.714 | S | S | * | * | trans | -64.7 | 96.2 | 156.4 | -86.9 | -82.5 | 0 | 0 | 0 | 106.2 | R1333 N1337 | R1333-H1335 PolarHBondContact O-N 3.02Å; H1335-N1337 PolarHBondContact O-N 2.82Å | ||
| 1336 | R | 21.2 | Very low | 25.1 | Very low | 213 Ų | 213 | 160.6 Ų | 160.6 | 80% | 0.804 | 74% | 0.74 | S | S | * | * | trans | -67.8 | 73.3 | 163.3 | -76.8 | -179.2 | 170.1 | 173 | -2.8 | 107.2 | R1334 S1338 | R1334-R1336 PolarHBondContact O-N 3.24Å; R1336-S1338 VanDerWaalsContact C-N 3.27Å; R1336-S1338 PolarHBondContact O-N 3.34Å | ||
| 1337 | N | 22.1 | Very low | 23.5 | Very low | 139 Ų | 139 | 166.5 Ų | 166.5 | 74% | 0.743 | 77% | 0.77 | S | S | * | * | trans | -88.1 | 88.1 | 153.9 | -82.4 | 1.7 | 0 | 0 | 0 | 106.1 | H1335 | H1335-N1337 PolarHBondContact O-N 2.82Š| ||
| 1338 | S | 22.3 | Very low | 22.6 | Very low | 84 Ų | 84 | 168.3 Ų | 168.3 | 59% | 0.587 | 79% | 0.786 | S | S | * | * | trans | -48 | 139.5 | 158.8 | -48.9 | 0 | 0 | 0 | 0 | 108.2 | R1336 | R1336-S1338 VanDerWaalsContact C-N 3.27Å; R1336-S1338 PolarHBondContact O-N 3.34Å | ||
| 1339 | Y | 21.5 | Very low | 21.9 | Very low | 231 Ų | 231 | 165 Ų | 165 | 91% | 0.906 | 79% | 0.791 | S | S | * | * | trans | 82.8 | 67.3 | -179.3 | -44.5 | -72.5 | 0 | 0 | 0 | 116.8 | ||||
| 1340 | S | 20.2 | Very low | 21.6 | Very low | 113 Ų | 113 | 167.9 Ų | 167.9 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | trans | -162.6 | 71.8 | 137.4 | 55.6 | 0 | 0 | 0 | 0 | 111.1 | R1342 | S1340-R1342 PolarHBondContact O-N 3.26Š| ||
| 1341 | H | 21 | Very low | 21.6 | Very low | 186 Ų | 186 | 163 Ų | 163 | 86% | 0.861 | 79% | 0.793 | S | S | * | * | trans | -73.1 | 103.7 | 152.3 | -83.9 | -68 | 0 | 0 | 0 | 107.9 | ||||
| 1342 | R | 19.7 | Very low | 21.5 | Very low | 242 Ų | 242 | 164.4 Ų | 164.4 | 91% | 0.913 | 80% | 0.801 | S | S | * | * | trans | -179.1 | 133.1 | 132.8 | -102.6 | 175.3 | -102.4 | -172.6 | -4.9 | 111.4 | S1340 | S1340-R1342 PolarHBondContact O-N 3.26Š| ||
| 1343 | Y | 20.4 | Very low | 21.3 | Very low | 220 Ų | 220 | 161.4 Ų | 161.4 | 86% | 0.863 | 81% | 0.809 | S | S | * | * | trans | -49.6 | 148.7 | 168 | -97.8 | -104.6 | 0 | 0 | 0 | 112 | Q1345 | Y1343-Q1345 PolarHBondContact O-N 2.85Š| ||
| 1344 | P | 20.3 | Very low | 21.2 | Very low | 124 Ų | 124 | 154.5 Ų | 154.5 | 81% | 0.805 | 80% | 0.798 | S | S | * | * | trans | -75.4 | 105 | 172.9 | 31.2 | -29.2 | 0 | 0 | 0 | 108.9 | ||||
| 1345 | Q | 21 | Very low | 21.1 | Very low | 191 Ų | 191 | 150 Ų | 150 | 89% | 0.893 | 80% | 0.796 | S | S | * | * | trans | -107.4 | 131.8 | 154.5 | -81.2 | -149.7 | -18.7 | 0 | 0 | 109 | Y1343 | Y1343-Q1345 PolarHBondContact O-N 2.85Š| ||
| 1346 | L | 19.3 | Very low | 21 | Very low | 162 Ų | 162 | 147.8 Ų | 147.8 | 85% | 0.848 | 80% | 0.795 | S | S | * | * | trans | -73.3 | 145.5 | 179.6 | -88.8 | 145.3 | 0 | 0 | 0 | 111.5 | ||||
| 1347 | I | 19.2 | Very low | 21 | Very low | 156 Ų | 156 | 142.3 Ų | 142.3 | 80% | 0.8 | 79% | 0.79 | S | S | * | * | trans | 84.3 | 106.5 | 157.5 | -54.8 | 150.3 | 0 | 0 | 0 | 117.2 | ||||
| 1348 | S | 19.7 | Very low | 20.9 | Very low | 109 Ų | 109 | 143.2 Ų | 143.2 | 76% | 0.762 | 79% | 0.793 | S | S | * | * | 169.6 | 139.7 | 111.2 | 52.2 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 1349 | A | 20.1 | Very low | 20.9 | Very low | 88 Ų | 88 | 143.7 Ų | 143.7 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | trans | 54.9 | 102.8 | 155 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1350 | L | 21.7 | Very low | 20.9 | Very low | 168 Ų | 168 | 139.6 Ų | 139.6 | 88% | 0.88 | 79% | 0.79 | S | S | * | * | 78 | 128.7 | 86.5 | -89.8 | 149.6 | 0 | 0 | 0 | 114.5 | |||||
| 1351 | P | 26.3 | Very low | 20.9 | Very low | 108 Ų | 108 | 141.2 Ų | 141.2 | 70% | 0.701 | 79% | 0.786 | S | S | * | * | trans | -91.4 | -156.8 | 178.2 | 42.9 | -34.2 | 0 | 0 | 0 | 109.5 | ||||
| 1352 | P | 25.4 | Very low | 20.8 | Very low | 115 Ų | 115 | 138.6 Ų | 138.6 | 75% | 0.747 | 78% | 0.778 | S | S | * | * | cis | -124.4 | 169 | -36.3 | 19.5 | 2.1 | 0 | 0 | 0 | 110.6 | ||||
| 1353 | S | 20.6 | Very low | 20.8 | Very low | 126 Ų | 126 | 131.1 Ų | 131.1 | 88% | 0.881 | 76% | 0.763 | S | S | * | * | trans | -131.4 | 110.3 | 149 | 50.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1354 | S | 20.4 | Very low | 20.7 | Very low | 97 Ų | 97 | 130.7 Ų | 130.7 | 68% | 0.678 | 76% | 0.761 | S | S | * | * | trans | -78.1 | 154.7 | 171.1 | 48.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 1355 | S | 19.5 | Very low | 20.7 | Very low | 99 Ų | 99 | 130 Ų | 130 | 69% | 0.692 | 76% | 0.759 | S | S | * | * | trans | 64.5 | 113.2 | 149.6 | 64 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1356 | T | 20.1 | Very low | 20.7 | Very low | 132 Ų | 132 | 125.9 Ų | 125.9 | 81% | 0.81 | 75% | 0.752 | S | S | * | * | -174.1 | 102.1 | 127.7 | 19 | 0 | 0 | 0 | 0 | 106.8 | |||||
| 1357 | S | 20 | Very low | 20.7 | Very low | 99 Ų | 99 | 125.1 Ų | 125.1 | 69% | 0.692 | 75% | 0.748 | S | S | * | * | 76.7 | 122 | 104.2 | 70.6 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 1358 | L | 21.1 | Very low | 20.7 | Very low | 157 Ų | 157 | 124 Ų | 124 | 82% | 0.822 | 75% | 0.749 | S | S | * | * | trans | 155.9 | 95.5 | 145.3 | -83.8 | 151.4 | 0 | 0 | 0 | 106.8 | ||||
| 1359 | S | 21.2 | Very low | 20.8 | Very low | 94 Ų | 94 | 124.7 Ų | 124.7 | 66% | 0.657 | 75% | 0.754 | S | S | * | * | 65.1 | 91.6 | 98.5 | 70.9 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 1360 | N | 21 | Very low | 20.8 | Very low | 145 Ų | 145 | 123.4 Ų | 123.4 | 78% | 0.775 | 75% | 0.75 | S | S | * | * | 72.9 | 127.8 | 87.7 | -149.9 | 16.1 | 0 | 0 | 0 | 112.9 | |||||
| 1361 | Q | 20.8 | Very low | 20.7 | Very low | 148 Ų | 148 | 122 Ų | 122 | 69% | 0.692 | 75% | 0.747 | S | S | * | * | trans | 90.3 | 102.6 | 162.2 | -50.4 | -144.8 | -6.4 | 0 | 0 | 119.2 | ||||
| 1362 | N | 19.5 | Very low | 20.5 | Very low | 130 Ų | 130 | 122.4 Ų | 122.4 | 70% | 0.695 | 75% | 0.748 | S | S | * | * | 154.7 | 98.7 | 114.9 | -78.8 | -24.6 | 0 | 0 | 0 | 108.2 | |||||
| 1363 | S | 20 | Very low | 20.3 | Very low | 86 Ų | 86 | 124 Ų | 124 | 60% | 0.601 | 75% | 0.749 | S | S | * | * | 25.6 | 98.4 | 90.1 | 57.4 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 1364 | Y | 18.5 | Very low | 20.2 | Very low | 210 Ų | 210 | 124 Ų | 124 | 82% | 0.824 | 75% | 0.747 | S | S | * | * | 172.7 | 134.6 | 102.3 | -93 | -75 | 0 | 0 | 0 | 109.8 | S1366 | Y1364-S1366 PolarHBondContact O-N 2.79Š| |||
| 1365 | S | 20.2 | Very low | 20.2 | Very low | 109 Ų | 109 | 123.6 Ų | 123.6 | 76% | 0.762 | 76% | 0.758 | S | S | * | * | trans | -39.8 | 125.1 | 165.4 | 52.3 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1366 | S | 19.3 | Very low | 20.2 | Very low | 106 Ų | 106 | 122.8 Ų | 122.8 | 74% | 0.741 | 77% | 0.765 | S | S | * | * | trans | -152 | 108.8 | 138.8 | 49.5 | 0 | 0 | 0 | 0 | 105.4 | Y1364 | Y1364-S1366 PolarHBondContact O-N 2.79Š| ||
| 1367 | N | 20 | Very low | 20.4 | Very low | 145 Ų | 145 | 121.7 Ų | 121.7 | 78% | 0.775 | 76% | 0.763 | S | S | * | * | 42.7 | 136.7 | 84.6 | -86.3 | -8.4 | 0 | 0 | 0 | 112.9 | |||||
| 1368 | T | 20.4 | Very low | 20.5 | Very low | 132 Ų | 132 | 122.2 Ų | 122.2 | 81% | 0.81 | 76% | 0.764 | S | S | * | * | trans | 102.4 | 146.8 | 165.6 | 73.8 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1369 | S | 21 | Very low | 20.6 | Very low | 125 Ų | 125 | 120.7 Ų | 120.7 | 87% | 0.874 | 76% | 0.761 | S | S | * | * | trans | 76.2 | 122.4 | 179.6 | 80.1 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1370 | G | 20 | Very low | 20.6 | Very low | 61 Ų | 61 | 121.9 Ų | 121.9 | 63% | 0.629 | 76% | 0.764 | S | S | * | * | cis | 162.9 | 146.1 | 6.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1371 | V | 20.4 | Very low | 20.6 | Very low | 138 Ų | 138 | 120 Ų | 120 | 84% | 0.836 | 76% | 0.758 | S | S | * | * | trans | 68.7 | 141.1 | 138.3 | -162.8 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1372 | V | 20.3 | Very low | 20.5 | Very low | 117 Ų | 117 | 115.3 Ų | 115.3 | 71% | 0.709 | 75% | 0.745 | S | S | * | * | trans | 89.5 | 85.5 | 159.3 | -160.6 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1373 | I | 21.3 | Very low | 20.6 | Very low | 149 Ų | 149 | 112.8 Ų | 112.8 | 76% | 0.764 | 73% | 0.734 | S | S | * | * | 55.7 | 104.1 | 78.3 | -53.6 | 176.8 | 0 | 0 | 0 | 112.7 | |||||
| 1374 | C | 19.6 | Very low | 20.6 | Very low | 126 Ų | 126 | 110.2 Ų | 110.2 | 85% | 0.851 | 72% | 0.718 | S | S | * | * | trans | 165.2 | 103.9 | 137.9 | -82.2 | 0 | 0 | 0 | 0 | 103.4 | ||||
| 1375 | G | 20.5 | Very low | 21 | Very low | 87 Ų | 87 | 103.9 Ų | 103.9 | 90% | 0.897 | 70% | 0.703 | S | S | * | * | 107.5 | 109.7 | 72.5 | 0 | 0 | 0 | 0 | 0 | 107.3 | |||||
| 1376 | G | 19.1 | Very low | 20.9 | Very low | 82 Ų | 82 | 103.9 Ų | 103.9 | 85% | 0.845 | 70% | 0.698 | S | S | * | * | trans | 140.7 | 53 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1377 | S | 23.9 | Very low | 20.9 | Very low | 110 Ų | 110 | 104.9 Ų | 104.9 | 77% | 0.769 | 70% | 0.7 | S | S | * | * | trans | -89.6 | -175 | 163.7 | 55.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1378 | P | 23.1 | Very low | 20.9 | Very low | 110 Ų | 110 | 103.2 Ų | 103.2 | 71% | 0.714 | 70% | 0.7 | S | S | * | * | cis | -130 | 176.6 | -47.5 | 30.9 | -11.3 | 0 | 0 | 0 | 111.6 | ||||
| 1379 | T | 22.1 | Very low | 20.9 | Very low | 124 Ų | 124 | 103.9 Ų | 103.9 | 76% | 0.761 | 70% | 0.704 | S | S | * | * | trans | -51.4 | 177.3 | 162.5 | 30.6 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1380 | V | 21.9 | Very low | 20.9 | Very low | 120 Ų | 120 | 104.8 Ų | 104.8 | 73% | 0.727 | 70% | 0.697 | S | S | * | * | trans | 103.1 | 133 | 154 | -163.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1381 | T | 21.1 | Very low | 21 | Very low | 104 Ų | 104 | 109 Ų | 109 | 64% | 0.638 | 71% | 0.705 | S | S | * | * | cis | -175.9 | 143.8 | 35.5 | -6.1 | 0 | 0 | 0 | 0 | 109.5 | V1748 | T1381-V1748 WeakPolarHBondContact O-CB 3.34Å; T1381-V1748 WeakPolarHBondContact O-CG1 3.43Å; T1381-V1748 WeakPolarHBondContact O-CG2 3.4Å | ||
| 1382 | A | 19.6 | Very low | 21.1 | Very low | 50 Ų | 50 | 108.1 Ų | 108.1 | 41% | 0.413 | 70% | 0.7 | S | S | . | * | trans | 102.8 | 133.9 | 140.2 | 0 | 0 | 0 | 0 | 0 | 128.9 | V1748 N1749 | A1382-V1748 VanDerWaalsContact C-CG2 3.47Å; A1382-V1748 HydrophobicContact CB-CB 4.31Å; A1382-V1748 HydrophobicContact CB-CG1 3.25Å; A1382-V1748 CarbonylContact O-C 3.57Å; A1382-V1748 WeakPolarHBondContact O-CA 3.05Å; A1382-V1748 WeakPolarHBondContact O-CB 3.31Å; A1382-V1748 WeakPolarHBondContact O-CG1 3.49Å; A1382-V1748 WeakPolarHBondContact O-CG2 3.25Å; A1382-N1749 WeakPolarHBondContact O-CB 3.11Å | ||
| 1383 | T | 20.4 | Very low | 21.1 | Very low | 78 Ų | 78 | 110.2 Ų | 110.2 | 48% | 0.479 | 71% | 0.707 | S | S | . | * | trans | 78.7 | -169.5 | 135.1 | 33.7 | 0 | 0 | 0 | 0 | 122 | N1749 Y1750 | T1383-N1749 VanDerWaalsContact C-CG 3.43Å; T1383-N1749 WeakPolarHBondContact CB-O 3.47Å; T1383-N1749 WeakPolarHBondContact O-CB 3.33Å; T1383-N1749 PolarHBondContact O-ND2 3.19Å; T1383-N1749 VanDerWaalsContact OG1-C 3.23Å; T1383-N1749 PolarHBondContact OG1-O 3.03Å; T1383-Y1750 CarbonylContact C-O 3.53Å; T1383-Y1750 VanDerWaalsContact C-O 3.3Å; T1383-Y1750 WeakPolarHBondContact CA-O 3.28Å; T1383-Y1750 WeakPolarHBondContact CB-O 2.93Å; T1383-Y1750 VanDerWaalsContact CG2-C 3.5Å; T1383-Y1750 VanDerWaalsContact CG2-O 3.23Å; T1383-Y1750 WeakPolarHBondContact CG2-O 2.74Å | ||
| 1384 | A | 20.9 | Very low | 21.3 | Very low | 32 Ų | 32 | 109.4 Ų | 109.4 | 26% | 0.264 | 71% | 0.71 | S | S | . | * | B | Isolated β-bridge | trans | -137.6 | -139.5 | -155.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | N1749 Y1750 | A1384-N1749 CarbonylContact O-C 3.44Å; A1384-N1749 VanDerWaalsContact O-CA 3.27Å; A1384-N1749 WeakPolarHBondContact O-CA 3.4Å; A1384-N1749 PolarHBondContact O-OD1 2.67Å; A1384-Y1750 VanDerWaalsContact C-CB 3.41Å; A1384-Y1750 VanDerWaalsContact CA-O 3.25Å; A1384-Y1750 WeakPolarHBondContact CA-O 3.24Å; A1384-Y1750 WeakPolarHBondContact CB-O 3.4Å; A1384-Y1750 VanDerWaalsContact N-C 3.32Å; A1384-Y1750 PolarHBondContact N-O 3.41Å; A1384-Y1750 WeakPolarHBondContact O-CB 3.22Å; A1384-Y1750 WeakPolarHBondContact O-CD2 3.23Å; A1384-Y1750 PolarHBondContact O-N 3.27Å |
| 1385 | P | 25.2 | Very low | 21.5 | Very low | 76 Ų | 76 | 106.7 Ų | 106.7 | 49% | 0.494 | 70% | 0.703 | S | S | . | * | -121.3 | 177.5 | -126.3 | 36.3 | -14 | 0 | 0 | 0 | 119.9 | Y1750 | P1385-Y1750 WeakPolarHBondContact O-CD2 3.04Š| |||
| 1386 | V | 18.9 | Very low | 21.8 | Very low | 110 Ų | 110 | 109.6 Ų | 109.6 | 67% | 0.667 | 70% | 0.697 | S | S | * | * | trans | 95.6 | 130.9 | 150.7 | -152.6 | 0 | 0 | 0 | 0 | 120 | ||||
| 1387 | T | 20.3 | Very low | 22.3 | Very low | 126 Ų | 126 | 113.4 Ų | 113.4 | 77% | 0.773 | 70% | 0.697 | S | S | * | * | trans | 82.8 | 128 | 163.8 | 53.5 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1388 | S | 19.2 | Very low | 23 | Very low | 111 Ų | 111 | 111.4 Ų | 111.4 | 78% | 0.776 | 68% | 0.682 | S | S | * | * | trans | 70.4 | 91.8 | 164.7 | 61.2 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1389 | T | 20.2 | Very low | 23.8 | Very low | 146 Ų | 146 | 113.8 Ų | 113.8 | 90% | 0.896 | 68% | 0.683 | S | S | * | * | trans | -62.5 | 115.3 | 158.8 | 43.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1390 | I | 20.9 | Very low | 25 | Very low | 143 Ų | 143 | 111.7 Ų | 111.7 | 73% | 0.733 | 67% | 0.667 | S | S | * | * | trans | -128.2 | 108.9 | 157.5 | -66.2 | 175.8 | 0 | 0 | 0 | 103.8 | ||||
| 1391 | N | 21.6 | Very low | 26.8 | Very low | 149 Ų | 149 | 110.4 Ų | 110.4 | 80% | 0.797 | 65% | 0.652 | S | S | * | * | 62.5 | 75.6 | 77.4 | -140.3 | 17.2 | 0 | 0 | 0 | 113.1 | |||||
| 1392 | T | 22.6 | Very low | 28.9 | Very low | 121 Ų | 121 | 112.4 Ų | 112.4 | 74% | 0.742 | 66% | 0.655 | S | S | * | * | trans | -134.8 | 100 | 167.4 | 53.9 | 0 | 0 | 0 | 0 | 111.7 | T1394 | T1392-T1394 PolarHBondContact O-N 2.91Å; T1392-T1394 VanDerWaalsContact O-N 3.12Å | ||
| 1393 | N | 22 | Very low | 31.1 | Very low | 160 Ų | 160 | 113.3 Ų | 113.3 | 86% | 0.856 | 65% | 0.649 | S | S | * | * | trans | -52.5 | 97.1 | 150.6 | -70.2 | -39.4 | 0 | 0 | 0 | 110.6 | ||||
| 1394 | T | 24.3 | Very low | 33.5 | Very low | 132 Ų | 132 | 111.1 Ų | 111.1 | 81% | 0.81 | 64% | 0.636 | S | S | * | * | trans | -151.2 | 81.2 | 155.4 | 54.6 | 0 | 0 | 0 | 0 | 108.4 | T1392 | T1392-T1394 PolarHBondContact O-N 2.91Å; T1392-T1394 VanDerWaalsContact O-N 3.12Å | ||
| 1395 | G | 24.2 | Very low | 36 | Very low | 69 Ų | 69 | 109.7 Ų | 109.7 | 71% | 0.711 | 62% | 0.624 | S | S | * | * | trans | -154.8 | 103.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1396 | L | 27 | Very low | 38.2 | Very low | 148 Ų | 148 | 106.6 Ų | 106.6 | 78% | 0.775 | 60% | 0.603 | S | S | * | * | trans | 68.4 | 79.2 | 168.3 | -58.6 | 162.4 | 0 | 0 | 0 | 115.2 | P1398 | L1396-P1398 WeakPolarHBondContact O-CD 3.36Š| ||
| 1397 | L | 29.4 | Very low | 41 | Very low | 162 Ų | 162 | 101.5 Ų | 101.5 | 85% | 0.848 | 57% | 0.572 | S | S | * | * | trans | -51.9 | 122.5 | 143.3 | -128.4 | 87.9 | 0 | 0 | 0 | 105.8 | H1399 | L1397-H1399 PolarHBondContact O-N 3.26Å; L1397-H1399 VanDerWaalsContact O-N 3.15Å | ||
| 1398 | P | 37.8 | Very low | 43.7 | Very low | 69 Ų | 69 | 95.6 Ų | 95.6 | 45% | 0.448 | 54% | 0.535 | S | S | . | . | trans | -54 | 127.8 | 179.4 | 20.2 | -30.2 | 0 | 0 | 0 | 108 | L1396 I1400 | L1396-P1398 WeakPolarHBondContact O-CD 3.36Å; P1398-I1400 PolarHBondContact O-N 3.32Å | ||
| 1399 | H | 41.2 | Very low | 46.6 | Very low | 159 Ų | 159 | 90.4 Ų | 90.4 | 74% | 0.736 | 50% | 0.499 | S | S | * | . | trans | -65.4 | 84.7 | -175.5 | -128.1 | -47.9 | 0 | 0 | 0 | 108.6 | L1397 Q1401 | L1397-H1399 PolarHBondContact O-N 3.26Å; L1397-H1399 VanDerWaalsContact O-N 3.15Å; H1399-Q1401 PolarHBondContact O-N 2.88Å | ||
| 1400 | I | 47.3 | Very low | 49.5 | Very low | 81 Ų | 81 | 83.9 Ų | 83.9 | 42% | 0.415 | 46% | 0.458 | S | S | . | . | trans | -63.5 | 110 | 172.1 | -69.5 | 166.4 | 0 | 0 | 0 | 106.3 | P1398 E1439 | P1398-I1400 PolarHBondContact O-N 3.32Å; I1400-E1439 HydrophobicContact CG2-CG 3.24Å; I1400-E1439 VanDerWaalsContact CG2-OE1 3.23Å; I1400-E1439 WeakPolarHBondContact CG2-OE1 3.3Å | ||
| 1401 | Q | 59.1 | Low | 52.4 | Low | 92 Ų | 92 | 77.5 Ų | 77.5 | 43% | 0.43 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 109.6 | 174.2 | -69.1 | -166.4 | 0 | 0 | 0 | 108.8 | L1326 H1399 L1440 | L1326-Q1401 HydrophobicContact CD2-CB 3.79Å; L1326-Q1401 HydrophobicContact CD2-CG 3.86Å; L1326-Q1401 VanDerWaalsContact CD2-OE1 3.26Å; H1399-Q1401 PolarHBondContact O-N 2.88Å; Q1401-L1440 PolarHBondContact N-O 2.95Å; Q1401-L1440 WeakPolarHBondContact O-CB 3.32Å; Q1401-L1440 PolarHBondContact O-N 3.42Å |
| 1402 | Q | 65.1 | Low | 54.9 | Low | 146 Ų | 146 | 72.1 Ų | 72.1 | 68% | 0.682 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 124.2 | 166.5 | -71.1 | 177.5 | -19.1 | 0 | 0 | 109.1 | ||
| 1403 | K | 66.4 | Low | 57.3 | Low | 70 Ų | 70 | 67.1 Ų | 67.1 | 30% | 0.304 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 124.6 | 177.6 | -162.6 | 173.9 | -174.4 | 176.6 | 0 | 109.5 | P1324 V1405 L1438 L1440 | P1324-K1403 HydrophobicContact CG-CD 4.38Å; K1403-V1405 PolarHBondContact O-N 2.9Å; K1403-L1438 PolarHBondContact N-O 3.11Å; K1403-L1438 WeakPolarHBondContact O-CB 3.46Å; K1403-L1438 PolarHBondContact O-N 3.22Å; K1403-L1440 HydrophobicContact CB-CD1 3.82Å; K1403-L1440 HydrophobicContact CD-CD1 3.81Å; K1403-L1440 HydrophobicContact CG-CD1 4.49Å |
| 1404 | T | 71 | Confident | 59.4 | Low | 32 Ų | 32 | 61 Ų | 61 | 20% | 0.196 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 113.4 | 175.1 | 53.7 | 0 | 0 | 0 | 0 | 109.9 | M908 N1255 S1436 E1437 | M908-T1404 VanDerWaalsContact CE-OG1 3.28Å; M908-T1404 WeakPolarHBondContact CE-OG1 3.48Å; M908-T1404 PolarHBondContact SD-OG1 2.76Å; N1255-T1404 PolarHBondContact ND2-O 2.79Å; T1404-S1436 WeakPolarHBondContact CA-O 3.3Å; T1404-E1437 HydrophobicContact CG2-CG 4.23Å |
| 1405 | V | 71.6 | Confident | 60.9 | Low | 2 Ų | 2 | 60.2 Ų | 60.2 | 1% | 0.012 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 131.5 | 173.6 | 174.2 | 0 | 0 | 0 | 0 | 108.5 | F1223 L1259 K1403 I1407 R1435 S1436 L1438 | F1223-V1405 HydrophobicContact CZ-CG1 4.32Å; L1259-V1405 HydrophobicContact CD2-CB 4.29Å; L1259-V1405 HydrophobicContact CD2-CG1 3.35Å; L1259-V1405 HydrophobicContact CD2-CG2 3.93Å; K1403-V1405 PolarHBondContact O-N 2.9Å; V1405-I1407 HydrophobicContact CG1-CG1 4.08Å; V1405-R1435 WeakPolarHBondContact O-CA 3.27Å; V1405-S1436 PolarHBondContact N-O 2.81Å; V1405-S1436 PolarHBondContact O-N 2.82Å; V1405-L1438 HydrophobicContact CG2-CB 4.16Å; V1405-L1438 HydrophobicContact CG2-CD2 4.43Å |
| 1406 | H | 73.3 | Confident | 62.1 | Low | 11 Ų | 11 | 60.3 Ų | 60.3 | 5% | 0.051 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 126.5 | 171 | -72.4 | -87.2 | 0 | 0 | 0 | 109.1 | L912 S1254 N1255 R1433 H1434 | L912-H1406 HydrophobicContact CD1-CB 3.81Å; L912-H1406 HydrophobicContact CD2-CB 4.37Å; S1254-H1406 WeakPolarHBondContact CA-O 3.37Å; S1254-H1406 VanDerWaalsContact CB-O 3.31Å; S1254-H1406 WeakPolarHBondContact CB-O 3.46Å; S1254-H1406 PolarHBondContact OG-O 2.81Å; N1255-H1406 HydrophobicContact CB-CB 4.49Å; N1255-H1406 PolarHBondContact N-O 2.77Å; N1255-H1406 PolarHBondContact OD1-N 3.15Å; N1255-H1406 PolarHBondContact OD1-O 3.03Å; H1406-R1433 PolarHBondContact CE1-NH1 2.96Å; H1406-H1434 WeakPolarHBondContact CA-O 3.39Å |
| 1407 | I | 76.6 | Confident | 62.6 | Low | 2 Ų | 2 | 60.4 Ų | 60.4 | 1% | 0.01 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 128.2 | 171.2 | -54.6 | 176.3 | 0 | 0 | 0 | 106.9 | F1220 F1223 I1252 A1253 V1405 F1409 R1433 H1434 | F1220-I1407 HydrophobicContact CE1-CD1 4.16Å; F1220-I1407 HydrophobicContact CZ-CD1 4.11Å; F1223-I1407 HydrophobicContact CE2-CD1 3.7Å; F1223-I1407 HydrophobicContact CZ-CD1 4.22Å; I1252-I1407 HydrophobicContact CG2-CG2 3.6Å; A1253-I1407 CarbonylContact O-C 3.48Å; A1253-I1407 WeakPolarHBondContact O-CA 3.38Å; V1405-I1407 HydrophobicContact CG1-CG1 4.08Å; I1407-F1409 HydrophobicContact CB-CE2 4.25Å; I1407-F1409 HydrophobicContact CG2-CD2 4.23Å; I1407-F1409 HydrophobicContact CG2-CE2 3.5Å; I1407-F1409 VanDerWaalsContact CG2-CE2 3.5Å; I1407-F1409 HydrophobicContact CG2-CZ 3.85Å; I1407-R1433 CarbonylContact O-C 3.54Å; I1407-R1433 WeakPolarHBondContact O-CA 3.43Å; I1407-H1434 HydrophobicContact CB-CB 4.27Å; I1407-H1434 PolarHBondContact N-O 3.13Å; I1407-H1434 PolarHBondContact O-N 2.81Å |
| 1408 | V | 76.6 | Confident | 62.8 | Low | 2 Ų | 2 | 63.6 Ų | 63.6 | 1% | 0.012 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 129.3 | 179.9 | -176.1 | 0 | 0 | 0 | 0 | 108.6 | F800 L912 I1252 A1253 W1286 Y1431 V1432 R1433 | F800-V1408 HydrophobicContact CE1-CG2 4.26Å; L912-V1408 HydrophobicContact CD2-CG2 3.87Å; I1252-V1408 CarbonylContact C-O 3.54Å; I1252-V1408 WeakPolarHBondContact CA-O 3.42Å; A1253-V1408 PolarHBondContact N-O 3.37Å; A1253-V1408 PolarHBondContact O-N 3.18Å; W1286-V1408 HydrophobicContact CH2-CB 4.3Å; W1286-V1408 HydrophobicContact CH2-CG1 3.91Å; W1286-V1408 WeakPolarHBondContact CZ3-O 3.46Å; V1408-Y1431 HydrophobicContact CG1-CD1 4.04Å; V1408-Y1431 HydrophobicContact CG1-CG 4.41Å; V1408-V1432 CarbonylContact C-O 3.55Å; V1408-V1432 WeakPolarHBondContact CA-O 3.43Å; V1408-R1433 HydrophobicContact CG2-CG 4.2Å |
| 1409 | F | 81.5 | Confident | 62.6 | Low | 3 Ų | 3 | 67.9 Ų | 67.9 | 1% | 0.013 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 123.4 | 176.5 | -62.7 | -105.6 | 0 | 0 | 0 | 107.9 | L1216 V1218 F1220 L1239 R1251 I1252 I1407 Y1431 V1432 | L1216-F1409 HydrophobicContact CD2-CB 4.32Å; V1218-F1409 HydrophobicContact CB-CE2 4.47Å; V1218-F1409 HydrophobicContact CB-CZ 4.49Å; V1218-F1409 HydrophobicContact CG1-CD1 4.43Å; V1218-F1409 HydrophobicContact CG1-CD2 4.4Å; V1218-F1409 HydrophobicContact CG1-CE1 3.81Å; V1218-F1409 HydrophobicContact CG1-CE2 3.79Å; V1218-F1409 HydrophobicContact CG1-CZ 3.49Å; V1218-F1409 VanDerWaalsContact CG1-CZ 3.49Å; V1218-F1409 HydrophobicContact CG2-CD1 3.94Å; V1218-F1409 HydrophobicContact CG2-CD2 4.04Å; V1218-F1409 HydrophobicContact CG2-CE1 4.17Å; V1218-F1409 HydrophobicContact CG2-CE2 4.29Å; V1218-F1409 HydrophobicContact CG2-CG 3.91Å; V1218-F1409 HydrophobicContact CG2-CZ 4.38Å; F1220-F1409 HydrophobicContact CE2-CE2 4.48Å; F1220-F1409 HydrophobicContact CE2-CZ 4.49Å; F1220-F1409 HydrophobicContact CZ-CE2 4.03Å; F1220-F1409 AromaticContact CZ-CZ 3.82Å; F1220-F1409 HydrophobicContact CZ-CZ 3.82Å; L1239-F1409 HydrophobicContact CD2-CD1 3.9Å; L1239-F1409 HydrophobicContact CD2-CE1 3.71Å; R1251-F1409 CarbonylContact O-C 3.45Å; R1251-F1409 VanDerWaalsContact O-CA 3.24Å; R1251-F1409 WeakPolarHBondContact O-CA 3.35Å; I1252-F1409 HydrophobicContact CD1-CD1 3.58Å; I1252-F1409 HydrophobicContact CD1-CE1 3.16Å; I1252-F1409 HydrophobicContact CD1-CZ 3.96Å; I1252-F1409 HydrophobicContact CG1-CD1 3.31Å; I1252-F1409 HydrophobicContact CG1-CE1 3.41Å; I1252-F1409 VanDerWaalsContact CG1-CE1 3.41Å; I1252-F1409 HydrophobicContact CG1-CG 4.04Å; I1252-F1409 HydrophobicContact CG1-CZ 4.18Å; I1407-F1409 HydrophobicContact CB-CE2 4.25Å; I1407-F1409 HydrophobicContact CG2-CD2 4.23Å; I1407-F1409 HydrophobicContact CG2-CE2 3.5Å; I1407-F1409 VanDerWaalsContact CG2-CE2 3.5Å; I1407-F1409 HydrophobicContact CG2-CZ 3.85Å; F1409-Y1431 CarbonylContact O-C 3.48Å; F1409-Y1431 WeakPolarHBondContact O-CA 3.38Å; F1409-V1432 HydrophobicContact CB-CB 4.34Å; F1409-V1432 PolarHBondContact N-O 2.86Å; F1409-V1432 PolarHBondContact O-N 2.94Å |
| 1410 | Q | 80.9 | Confident | 62.4 | Low | 9 Ų | 9 | 70 Ų | 70 | 4% | 0.042 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 142.2 | 171.9 | 178.1 | 177.7 | 2.7 | 0 | 0 | 109.3 | L1250 R1251 W1286 C1429 R1430 Y1431 | L1250-Q1410 CarbonylContact C-O 3.56Å; L1250-Q1410 VanDerWaalsContact CA-O 3.31Å; L1250-Q1410 WeakPolarHBondContact CA-O 3.42Å; R1251-Q1410 HydrophobicContact CB-CB 4.35Å; R1251-Q1410 PolarHBondContact N-O 3.2Å; R1251-Q1410 PolarHBondContact O-N 3.05Å; W1286-Q1410 HydrophobicContact CE3-CB 4.02Å; W1286-Q1410 HydrophobicContact CH2-CB 3.69Å; W1286-Q1410 HydrophobicContact CZ2-CB 4.48Å; W1286-Q1410 HydrophobicContact CZ3-CB 3.42Å; W1286-Q1410 VanDerWaalsContact CZ3-CB 3.42Å; Q1410-C1429 HydrophobicContact CG-CB 4.01Å; Q1410-C1429 PolarHBondContact NE2-SG 2.72Å; Q1410-R1430 WeakPolarHBondContact CA-O 3.13Å; Q1410-Y1431 HydrophobicContact CB-CD1 3.7Å; Q1410-Y1431 HydrophobicContact CB-CE1 3.62Å; Q1410-Y1431 HydrophobicContact CG-CD1 3.98Å; Q1410-Y1431 HydrophobicContact CG-CE1 3.49Å; Q1410-Y1431 VanDerWaalsContact CG-CE1 3.49Å |
| 1411 | Y | 80.9 | Confident | 61.8 | Low | 9 Ų | 9 | 74.2 Ų | 74.2 | 4% | 0.035 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.9 | 160.3 | 177.8 | 60 | -82.1 | 0 | 0 | 0 | 110.7 | P1214 L1216 L1247 L1250 C1429 R1430 V1432 | P1214-Y1411 HydrophobicContact CB-CD2 4.04Å; P1214-Y1411 HydrophobicContact CB-CE2 3.84Å; P1214-Y1411 WeakPolarHBondContact O-CE2 3.47Å; L1216-Y1411 HydrophobicContact CB-CD1 3.86Å; L1216-Y1411 HydrophobicContact CB-CD2 4Å; L1216-Y1411 HydrophobicContact CB-CE1 3.76Å; L1216-Y1411 HydrophobicContact CB-CE2 3.86Å; L1216-Y1411 HydrophobicContact CB-CG 4Å; L1216-Y1411 HydrophobicContact CD2-CD1 3.85Å; L1216-Y1411 HydrophobicContact CD2-CE1 4.36Å; L1216-Y1411 HydrophobicContact CD2-CG 4.19Å; L1247-Y1411 HydrophobicContact CD1-CD2 4.02Å; L1247-Y1411 HydrophobicContact CD2-CD2 3.94Å; L1247-Y1411 HydrophobicContact CD2-CE2 4.46Å; L1250-Y1411 HydrophobicContact CD2-CG 4.38Å; Y1411-C1429 CarbonylContact O-C 3.54Å; Y1411-C1429 WeakPolarHBondContact O-CA 3.32Å; Y1411-R1430 HydrophobicContact CD1-CB 4.43Å; Y1411-R1430 WeakPolarHBondContact CD1-O 3.31Å; Y1411-R1430 HydrophobicContact CD2-CB 4.14Å; Y1411-R1430 HydrophobicContact CE1-CB 3.89Å; Y1411-R1430 HydrophobicContact CE2-CB 3.59Å; Y1411-R1430 HydrophobicContact CE2-CG 4.44Å; Y1411-R1430 VanDerWaalsContact CZ-CB 3.44Å; Y1411-R1430 PolarHBondContact N-O 3.23Å; Y1411-R1430 PolarHBondContact O-N 3.29Å; Y1411-V1432 HydrophobicContact CE1-CB 4.18Å; Y1411-V1432 HydrophobicContact CE1-CG2 3.5Å; Y1411-V1432 VanDerWaalsContact CE1-CG2 3.5Å |
| 1412 | E | 75.6 | Confident | 60.5 | Low | 35 Ų | 35 | 81.4 Ų | 81.4 | 16% | 0.164 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 170.6 | 177.7 | 70.7 | -168.3 | 161 | 0 | 0 | 112.4 | L1247 T1248 N1249 C1429 | L1247-E1412 CarbonylContact C-O 3.5Å; L1247-E1412 VanDerWaalsContact CA-O 3.25Å; L1247-E1412 WeakPolarHBondContact CA-O 3.47Å; T1248-E1412 PolarHBondContact N-O 3.4Å; T1248-E1412 PolarHBondContact O-N 3.03Å; N1249-E1412 HydrophobicContact CB-CG 3.82Å; N1249-E1412 WeakPolarHBondContact CB-OE1 3.38Å; N1249-E1412 PolarHBondContact ND2-OE1 3.06Å; E1412-C1429 HydrophobicContact CB-CB 4.48Å; E1412-C1429 PolarHBondContact OE2-SG 3.12Å |
| 1413 | S | 71.5 | Confident | 58.9 | Low | 17 Ų | 17 | 83 Ų | 83 | 12% | 0.119 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 144.9 | 175.5 | -176.7 | 0 | 0 | 0 | 0 | 111.8 | I1245 N1415 | I1245-S1413 VanDerWaalsContact CG2-OG 3.22Å; I1245-S1413 WeakPolarHBondContact CG2-OG 3.29Å; S1413-N1415 VanDerWaalsContact C-N 3.26Å; S1413-N1415 PolarHBondContact O-N 2.99Å; S1413-N1415 PolarHBondContact OG-N 3.21Å; S1413-N1415 VanDerWaalsContact OG-N 3.13Å |
| 1414 | T | 65.9 | Low | 57.3 | Low | 31 Ų | 31 | 89.6 Ų | 89.6 | 19% | 0.19 | 42% | 0.416 | C | S | . | . | G | 310 helix | trans | -66.4 | -25.2 | 167.7 | 49.1 | 0 | 0 | 0 | 0 | 113.9 | P1246 T1248 V1308 N1416 | P1246-T1414 HydrophobicContact CB-CG2 3.87Å; P1246-T1414 PolarHBondContact O-N 2.89Å; P1246-T1414 VanDerWaalsContact O-N 3.09Å; P1246-T1414 PolarHBondContact O-OG1 2.76Å; T1248-T1414 HydrophobicContact CG2-CG2 3.43Å; T1248-T1414 VanDerWaalsContact CG2-CG2 3.43Å; V1308-T1414 HydrophobicContact CB-CG2 4.5Å; V1308-T1414 HydrophobicContact CG1-CG2 3.59Å; V1308-T1414 HydrophobicContact CG2-CG2 4.16Å; T1414-N1416 PolarHBondContact O-N 2.76Å |
| 1415 | N | 56.5 | Low | 55.5 | Low | 115 Ų | 115 | 92 Ų | 92 | 62% | 0.615 | 43% | 0.433 | S | S | * | . | G | 310 helix | trans | -72.6 | 17.4 | -170 | -72.3 | -0.7 | 0 | 0 | 0 | 114.5 | S1413 L1417 | S1413-N1415 VanDerWaalsContact C-N 3.26Å; S1413-N1415 PolarHBondContact O-N 2.99Å; S1413-N1415 PolarHBondContact OG-N 3.21Å; S1413-N1415 VanDerWaalsContact OG-N 3.13Å; N1415-L1417 PolarHBondContact O-N 2.95Å |
| 1416 | N | 48.6 | Very low | 53.9 | Low | 72 Ų | 72 | 100.4 Ų | 100.4 | 39% | 0.385 | 47% | 0.47 | S | S | . | . | G | 310 helix | trans | -70.5 | -1.8 | 169 | -76.6 | -23.9 | 0 | 0 | 0 | 113.2 | T1414 | T1414-N1416 PolarHBondContact O-N 2.76Š|
| 1417 | L | 37.3 | Very low | 52.5 | Low | 149 Ų | 149 | 104.3 Ų | 104.3 | 78% | 0.78 | 49% | 0.494 | S | S | * | . | S | Bend | trans | -100.3 | 112.4 | -179.8 | -79.5 | 134 | 0 | 0 | 0 | 111.7 | N1415 | N1415-L1417 PolarHBondContact O-N 2.95Š|
| 1418 | R | 34.4 | Very low | 51.6 | Low | 230 Ų | 230 | 106.3 Ų | 106.3 | 87% | 0.868 | 52% | 0.515 | S | S | * | . | trans | 79.4 | 79 | 143.5 | -148.7 | 177.5 | -165.9 | -166 | 2.6 | 115.5 | ||||
| 1419 | N | 34.4 | Very low | 51 | Low | 158 Ų | 158 | 108.2 Ų | 108.2 | 85% | 0.845 | 53% | 0.528 | S | S | * | . | trans | -156.4 | 108.2 | 143.6 | -90.8 | -24.9 | 0 | 0 | 0 | 109.5 | Q1421 | N1419-Q1421 PolarHBondContact O-N 2.82Š| ||
| 1420 | E | 35.9 | Very low | 50.5 | Low | 205 Ų | 205 | 110.2 Ų | 110.2 | 96% | 0.958 | 54% | 0.536 | S | S | * | . | trans | -68.2 | 19.8 | 174.3 | -71.5 | -171.4 | 143.3 | 0 | 0 | 113.7 | ||||
| 1421 | Q | 34.7 | Very low | 50.1 | Low | 168 Ų | 168 | 110.3 Ų | 110.3 | 79% | 0.785 | 54% | 0.536 | S | S | * | . | S | Bend | trans | -115 | 95.4 | -177 | -67.5 | -169.8 | -1.7 | 0 | 0 | 110.8 | N1419 Q1423 | N1419-Q1421 PolarHBondContact O-N 2.82Å; Q1421-Q1423 PolarHBondContact O-N 2.86Å |
| 1422 | R | 31.1 | Very low | 49.8 | Very low | 243 Ų | 243 | 110.2 Ų | 110.2 | 92% | 0.917 | 54% | 0.536 | S | S | * | . | S | Bend | trans | 31.5 | 72.1 | 146.7 | -59.4 | -172.4 | -171.2 | -159.2 | 3.9 | 116.6 | ||
| 1423 | Q | 32.1 | Very low | 49.7 | Very low | 181 Ų | 181 | 109 Ų | 109 | 85% | 0.846 | 53% | 0.53 | S | S | * | . | S | Bend | trans | -167.8 | 120.4 | 144.1 | -104.9 | 163.8 | 44.6 | 0 | 0 | 106.8 | Q1421 P1425 | Q1421-Q1423 PolarHBondContact O-N 2.86Å; Q1423-P1425 WeakPolarHBondContact O-CD 3.4Å |
| 1424 | K | 32.7 | Very low | 50 | Low | 207 Ų | 207 | 108.4 Ų | 108.4 | 90% | 0.9 | 53% | 0.525 | S | S | * | . | trans | -51.9 | 107.7 | -172 | -77.1 | 174.8 | 175.6 | 174.1 | 0 | 110.1 | ||||
| 1425 | P | 33.3 | Very low | 50.5 | Low | 84 Ų | 84 | 111.9 Ų | 111.9 | 55% | 0.545 | 54% | 0.535 | S | S | . | . | trans | -65.3 | 143.6 | 178.1 | 23.8 | -25.4 | 0 | 0 | 0 | 108 | Q1423 T1427 | Q1423-P1425 WeakPolarHBondContact O-CD 3.4Å; P1425-T1427 HydrophobicContact CB-CG2 4.41Å; P1425-T1427 HydrophobicContact CG-CG2 3.96Å; P1425-T1427 PolarHBondContact O-N 2.75Å | ||
| 1426 | F | 37.7 | Very low | 51.3 | Low | 178 Ų | 178 | 107.1 Ų | 107.1 | 78% | 0.781 | 51% | 0.51 | S | S | * | . | trans | -65.1 | 83.4 | 170.3 | -93.5 | -93.9 | 0 | 0 | 0 | 108.4 | G1428 | F1426-G1428 PolarHBondContact O-N 2.99Š| ||
| 1427 | T | 45 | Very low | 52.5 | Low | 93 Ų | 93 | 109 Ų | 109 | 57% | 0.571 | 52% | 0.517 | S | S | * | . | trans | -76.4 | 27 | 179.7 | 52.9 | 0 | 0 | 0 | 0 | 113 | P1425 | P1425-T1427 HydrophobicContact CB-CG2 4.41Å; P1425-T1427 HydrophobicContact CG-CG2 3.96Å; P1425-T1427 PolarHBondContact O-N 2.75Å | ||
| 1428 | G | 57.4 | Low | 54.2 | Low | 43 Ų | 43 | 102 Ų | 102 | 44% | 0.443 | 48% | 0.48 | S | S | . | . | trans | -102.8 | 120.6 | -171.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | F1426 | F1426-G1428 PolarHBondContact O-N 2.99Š| ||
| 1429 | C | 63.9 | Low | 55.8 | Low | 42 Ų | 42 | 92.9 Ų | 92.9 | 28% | 0.284 | 45% | 0.447 | S | S | . | . | trans | -57.4 | 144.2 | 160.4 | -52.2 | 0 | 0 | 0 | 0 | 110 | Q1410 Y1411 E1412 | Q1410-C1429 HydrophobicContact CG-CB 4.01Å; Q1410-C1429 PolarHBondContact NE2-SG 2.72Å; Y1411-C1429 CarbonylContact O-C 3.54Å; Y1411-C1429 WeakPolarHBondContact O-CA 3.32Å; E1412-C1429 HydrophobicContact CB-CB 4.48Å; E1412-C1429 PolarHBondContact OE2-SG 3.12Å | ||
| 1430 | R | 70.7 | Confident | 57.3 | Low | 46 Ų | 46 | 85.4 Ų | 85.4 | 17% | 0.174 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 161.4 | 170.8 | -71.3 | -166.3 | 121.6 | -174.3 | -1.7 | 110.7 | E955 P1214 Q1410 Y1411 | E955-R1430 IonicContact OE1-NH1 3.28Å; P1214-R1430 WeakPolarHBondContact O-CD 3.17Å; P1214-R1430 PolarHBondContact O-NH1 3.13Å; Q1410-R1430 WeakPolarHBondContact CA-O 3.13Å; Y1411-R1430 HydrophobicContact CD1-CB 4.43Å; Y1411-R1430 WeakPolarHBondContact CD1-O 3.31Å; Y1411-R1430 HydrophobicContact CD2-CB 4.14Å; Y1411-R1430 HydrophobicContact CE1-CB 3.89Å; Y1411-R1430 HydrophobicContact CE2-CB 3.59Å; Y1411-R1430 HydrophobicContact CE2-CG 4.44Å; Y1411-R1430 VanDerWaalsContact CZ-CB 3.44Å; Y1411-R1430 PolarHBondContact N-O 3.23Å; Y1411-R1430 PolarHBondContact O-N 3.29Å |
| 1431 | Y | 73.7 | Confident | 58.5 | Low | 11 Ų | 11 | 78.4 Ų | 78.4 | 4% | 0.043 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 139.9 | -178 | -53.6 | -87.1 | 0 | 0 | 0 | 111.5 | V798 L916 T919 F932 W1286 V1408 F1409 Q1410 | V798-Y1431 HydrophobicContact CG1-CD2 4.34Å; V798-Y1431 WeakPolarHBondContact CG2-O 3.39Å; L916-Y1431 HydrophobicContact CD2-CD1 3.43Å; L916-Y1431 VanDerWaalsContact CD2-CD1 3.43Å; L916-Y1431 HydrophobicContact CD2-CD2 4.13Å; L916-Y1431 HydrophobicContact CD2-CE1 3.25Å; L916-Y1431 HydrophobicContact CD2-CE2 4.01Å; L916-Y1431 HydrophobicContact CD2-CG 3.86Å; T919-Y1431 PolarHBondContact OG1-OH 2.84Å; T919-Y1431 VanDerWaalsContact OG1-OH 3.09Å; F932-Y1431 HydrophobicContact CE1-CD2 4.18Å; F932-Y1431 AromaticContact CE1-CE2 4Å; F932-Y1431 HydrophobicContact CE1-CE2 4Å; F932-Y1431 HydrophobicContact CE2-CE2 4.42Å; F932-Y1431 HydrophobicContact CZ-CD2 4.06Å; F932-Y1431 AromaticContact CZ-CE2 3.48Å; F932-Y1431 HydrophobicContact CZ-CE2 3.48Å; F932-Y1431 VanDerWaalsContact CZ-CE2 3.48Å; W1286-Y1431 AromaticContact CH2-CD1 3.84Å; W1286-Y1431 HydrophobicContact CH2-CD1 3.84Å; W1286-Y1431 AromaticContact CH2-CE1 3.82Å; W1286-Y1431 HydrophobicContact CH2-CE1 3.82Å; W1286-Y1431 HydrophobicContact CZ2-CD1 4.41Å; W1286-Y1431 AromaticContact CZ2-CE1 3.99Å; W1286-Y1431 HydrophobicContact CZ2-CE1 3.99Å; V1408-Y1431 HydrophobicContact CG1-CD1 4.04Å; V1408-Y1431 HydrophobicContact CG1-CG 4.41Å; F1409-Y1431 CarbonylContact O-C 3.48Å; F1409-Y1431 WeakPolarHBondContact O-CA 3.38Å; Q1410-Y1431 HydrophobicContact CB-CD1 3.7Å; Q1410-Y1431 HydrophobicContact CB-CE1 3.62Å; Q1410-Y1431 HydrophobicContact CG-CD1 3.98Å; Q1410-Y1431 HydrophobicContact CG-CE1 3.49Å; Q1410-Y1431 VanDerWaalsContact CG-CE1 3.49Å |
| 1432 | V | 74.2 | Confident | 59.5 | Low | 7 Ų | 7 | 72.5 Ų | 72.5 | 4% | 0.042 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 131.2 | 171.2 | 165.2 | 0 | 0 | 0 | 0 | 108.1 | A795 L1216 V1218 V1408 F1409 Y1411 | A795-V1432 HydrophobicContact CB-CG1 3.59Å; L1216-V1432 WeakPolarHBondContact O-CG2 2.99Å; V1218-V1432 HydrophobicContact CG2-CG1 4.03Å; V1408-V1432 CarbonylContact C-O 3.55Å; V1408-V1432 WeakPolarHBondContact CA-O 3.43Å; F1409-V1432 HydrophobicContact CB-CB 4.34Å; F1409-V1432 PolarHBondContact N-O 2.86Å; F1409-V1432 PolarHBondContact O-N 2.94Å; Y1411-V1432 HydrophobicContact CE1-CB 4.18Å; Y1411-V1432 HydrophobicContact CE1-CG2 3.5Å; Y1411-V1432 VanDerWaalsContact CE1-CG2 3.5Å |
| 1433 | R | 73.8 | Confident | 60.7 | Low | 10 Ų | 10 | 61 Ų | 61 | 4% | 0.038 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 134.7 | -177.9 | -174.2 | 179.4 | 69.4 | 147.9 | -0.5 | 111.7 | R796 G797 Q799 F800 D802 H1406 I1407 V1408 | R796-R1433 CarbonylContact C-O 3.49Å; R796-R1433 PolarHBondContact N-O 3.09Å; G797-R1433 WeakPolarHBondContact O-CB 3.42Å; G797-R1433 PolarHBondContact O-N 2.84Å; Q799-R1433 PolarHBondContact O-NE 2.85Å; Q799-R1433 PolarHBondContact O-NH2 2.81Å; F800-R1433 VanDerWaalsContact C-NH1 3.26Å; F800-R1433 VanDerWaalsContact CA-NH1 3.27Å; F800-R1433 PolarHBondContact O-NH1 3.32Å; D802-R1433 IonicContact OD1-NH2 3.18Å; D802-R1433 PolarHBondContact OD1-NH2 3.33Å; D802-R1433 IonicContact OD2-NH2 3.69Å; H1406-R1433 PolarHBondContact CE1-NH1 2.96Å; I1407-R1433 CarbonylContact O-C 3.54Å; I1407-R1433 WeakPolarHBondContact O-CA 3.43Å; V1408-R1433 HydrophobicContact CG2-CG 4.2Å |
| 1434 | H | 77.1 | Confident | 62 | Low | 4 Ų | 4 | 52.7 Ų | 52.7 | 2% | 0.019 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 131.2 | 162.4 | -177.4 | 75.4 | 0 | 0 | 0 | 108.7 | A795 F1220 F1223 H1406 I1407 | A795-H1434 HydrophobicContact CB-CB 3.64Å; F1220-H1434 AromaticContact CD2-CE1 3.81Å; F1220-H1434 AromaticContact CD2-ND1 3.74Å; F1220-H1434 HydrophobicContact CE2-CB 3.73Å; F1220-H1434 AromaticContact CE2-CD2 3.82Å; F1220-H1434 AromaticContact CE2-CE1 3.95Å; F1220-H1434 AromaticContact CE2-CG 3.42Å; F1220-H1434 VanDerWaalsContact CE2-CG 3.42Å; F1220-H1434 AromaticContact CE2-ND1 3.53Å; F1220-H1434 HydrophobicContact CZ-CB 4.11Å; F1220-H1434 AromaticContact CZ-CG 3.97Å; F1223-H1434 AromaticContact CD2-NE2 3.49Å; F1223-H1434 WeakPolarHBondContact CD2-NE2 3.38Å; F1223-H1434 AromaticContact CE2-NE2 3.93Å; F1223-H1434 AromaticContact CG-NE2 3.64Å; H1406-H1434 WeakPolarHBondContact CA-O 3.39Å; I1407-H1434 HydrophobicContact CB-CB 4.27Å; I1407-H1434 PolarHBondContact N-O 3.13Å; I1407-H1434 PolarHBondContact O-N 2.81Å |
| 1435 | R | 75 | Confident | 63.5 | Low | 104 Ų | 104 | 45.9 Ų | 45.9 | 39% | 0.392 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 129 | 171.6 | 176.8 | -173.5 | 170.7 | 162.8 | -4 | 107.9 | V1405 E1437 | V1405-R1435 WeakPolarHBondContact O-CA 3.27Å; R1435-E1437 IonicContact CZ-OE1 2.94Å; R1435-E1437 IonicContact NE-OE1 2.82Å; R1435-E1437 IonicContact NH2-OE1 3.31Å; R1435-E1437 PolarHBondContact NH2-OE1 2.9Å |
| 1436 | S | 74.5 | Confident | 65 | Low | 15 Ų | 15 | 43.1 Ų | 43.1 | 11% | 0.105 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 144.6 | 172.3 | 51.9 | 0 | 0 | 0 | 0 | 110 | F1223 T1404 V1405 | F1223-S1436 WeakPolarHBondContact CD1-OG 3.19Å; F1223-S1436 WeakPolarHBondContact CE1-OG 3.31Å; F1223-S1436 VanDerWaalsContact CZ-OG 3.28Å; F1223-S1436 WeakPolarHBondContact CZ-OG 3.37Å; T1404-S1436 WeakPolarHBondContact CA-O 3.3Å; V1405-S1436 PolarHBondContact N-O 2.81Å; V1405-S1436 PolarHBondContact O-N 2.82Å |
| 1437 | E | 73.8 | Confident | 66.4 | Low | 110 Ų | 110 | 39.6 Ų | 39.6 | 51% | 0.514 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 110 | 173.7 | -54.4 | -157.9 | 153.2 | 0 | 0 | 107.7 | T1404 R1435 | T1404-E1437 HydrophobicContact CG2-CG 4.23Å; R1435-E1437 IonicContact CZ-OE1 2.94Å; R1435-E1437 IonicContact NE-OE1 2.82Å; R1435-E1437 IonicContact NH2-OE1 3.31Å; R1435-E1437 PolarHBondContact NH2-OE1 2.9Å |
| 1438 | L | 72.8 | Confident | 67.6 | Low | 3 Ų | 3 | 36.4 Ų | 36.4 | 2% | 0.016 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 118.9 | -177.3 | -168.2 | 84.1 | 0 | 0 | 0 | 109 | F1223 P1224 L1227 K1403 V1405 L1440 | F1223-L1438 HydrophobicContact CE1-CD1 4.44Å; P1224-L1438 HydrophobicContact CB-CD1 4.47Å; P1224-L1438 HydrophobicContact CG-CD1 4.29Å; P1224-L1438 WeakPolarHBondContact O-CD1 3.46Å; L1227-L1438 HydrophobicContact CB-CD1 4.12Å; L1227-L1438 HydrophobicContact CB-CD2 3.99Å; L1227-L1438 HydrophobicContact CB-CG 4.26Å; L1227-L1438 HydrophobicContact CD1-CD1 4.36Å; K1403-L1438 PolarHBondContact N-O 3.11Å; K1403-L1438 WeakPolarHBondContact O-CB 3.46Å; K1403-L1438 PolarHBondContact O-N 3.22Å; V1405-L1438 HydrophobicContact CG2-CB 4.16Å; V1405-L1438 HydrophobicContact CG2-CD2 4.43Å; L1438-L1440 HydrophobicContact CD2-CD2 3.78Å; L1438-L1440 HydrophobicContact CD2-CG 4.12Å |
| 1439 | E | 67.8 | Low | 68 | Low | 38 Ų | 38 | 36.7 Ų | 36.7 | 18% | 0.178 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 111.1 | 173 | -174.1 | -170.3 | 160.8 | 0 | 0 | 109.5 | S1225 Q1226 L1227 I1400 K1441 | S1225-E1439 PolarHBondContact O-N 3.15Å; Q1226-E1439 VanDerWaalsContact CA-O 3.28Å; Q1226-E1439 WeakPolarHBondContact CA-O 3.36Å; Q1226-E1439 HydrophobicContact CG-CB 3.69Å; Q1226-E1439 HydrophobicContact CG-CG 4.13Å; Q1226-E1439 WeakPolarHBondContact CG-OE2 3.4Å; Q1226-E1439 PolarHBondContact NE2-OE2 2.95Å; L1227-E1439 PolarHBondContact N-O 3.01Å; I1400-E1439 HydrophobicContact CG2-CG 3.24Å; I1400-E1439 VanDerWaalsContact CG2-OE1 3.23Å; I1400-E1439 WeakPolarHBondContact CG2-OE1 3.3Å; E1439-K1441 WeakPolarHBondContact OE1-CE 3.39Å; E1439-K1441 IonicContact OE1-NZ 3.05Å |
| 1440 | L | 65.3 | Low | 68.3 | Low | 2 Ų | 2 | 34.7 Ų | 34.7 | 1% | 0.01 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 123 | 179.3 | -70.2 | 160.1 | 0 | 0 | 0 | 110.3 | L1227 P1324 L1326 Q1401 K1403 L1438 | L1227-L1440 HydrophobicContact CB-CD2 4.41Å; L1227-L1440 WeakPolarHBondContact O-CA 3.36Å; P1324-L1440 HydrophobicContact CG-CD1 3.81Å; P1324-L1440 HydrophobicContact CG-CD2 3.96Å; L1326-L1440 HydrophobicContact CD2-CB 3.87Å; L1326-L1440 HydrophobicContact CD2-CD1 4.34Å; L1326-L1440 HydrophobicContact CG-CB 4.47Å; Q1401-L1440 PolarHBondContact N-O 2.95Å; Q1401-L1440 WeakPolarHBondContact O-CB 3.32Å; Q1401-L1440 PolarHBondContact O-N 3.42Å; K1403-L1440 HydrophobicContact CB-CD1 3.82Å; K1403-L1440 HydrophobicContact CD-CD1 3.81Å; K1403-L1440 HydrophobicContact CG-CD1 4.49Å; L1438-L1440 HydrophobicContact CD2-CD2 3.78Å; L1438-L1440 HydrophobicContact CD2-CG 4.12Å |
| 1441 | K | 61.1 | Low | 68.2 | Low | 57 Ų | 57 | 35.1 Ų | 35.1 | 25% | 0.248 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 145.4 | 178.4 | -68.1 | -177.6 | 178.3 | 175.3 | 0 | 111.3 | L1227 Y1228 E1229 E1439 | L1227-K1441 PolarHBondContact O-N 3.01Å; L1227-K1441 VanDerWaalsContact O-N 3.1Å; Y1228-K1441 VanDerWaalsContact CA-O 3.3Å; Y1228-K1441 WeakPolarHBondContact CA-O 3.49Å; Y1228-K1441 HydrophobicContact CD1-CB 3.69Å; Y1228-K1441 HydrophobicContact CE1-CB 3.69Å; Y1228-K1441 HydrophobicContact CE1-CD 4.23Å; E1229-K1441 PolarHBondContact N-O 2.74Å; E1439-K1441 WeakPolarHBondContact OE1-CE 3.39Å; E1439-K1441 IonicContact OE1-NZ 3.05Å |
| 1442 | S | 55.4 | Low | 67.7 | Low | 44 Ų | 44 | 35.9 Ų | 35.9 | 31% | 0.308 | 18% | 0.183 | S | C | . | . | trans | -73.2 | 134.1 | 169.1 | 57.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1443 | S | 57.2 | Low | 67 | Low | 3 Ų | 3 | 37.7 Ų | 37.7 | 2% | 0.021 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -80.2 | -36.3 | -175.2 | -32.4 | 0 | 0 | 0 | 0 | 113.5 | Y1228 E1229 V1471 W1662 | Y1228-S1443 WeakPolarHBondContact CB-OG 3.4Å; E1229-S1443 PolarHBondContact O-OG 2.84Å; S1443-V1471 WeakPolarHBondContact O-CG2 3.5Å; S1443-W1662 WeakPolarHBondContact OG-CZ2 3.27Å |
| 1444 | L | 60.5 | Low | 65.9 | Low | 6 Ų | 6 | 45 Ų | 45 | 3% | 0.031 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -141.8 | 137.9 | 177.9 | -72.4 | 169.7 | 0 | 0 | 0 | 107 | F1446 I1467 N1469 F1479 I1509 W1662 | L1444-F1446 HydrophobicContact CB-CD2 4.25Å; L1444-F1446 HydrophobicContact CB-CE2 3.39Å; L1444-F1446 HydrophobicContact CB-CZ 3.58Å; L1444-F1446 HydrophobicContact CD1-CE2 4.46Å; L1444-F1446 HydrophobicContact CD1-CZ 3.84Å; L1444-F1446 HydrophobicContact CG-CZ 4.38Å; L1444-F1446 VanDerWaalsContact O-CD2 3.29Å; L1444-F1446 WeakPolarHBondContact O-CD2 3.22Å; L1444-F1446 VanDerWaalsContact O-CE2 3.32Å; L1444-F1446 WeakPolarHBondContact O-CE2 3.48Å; L1444-I1467 HydrophobicContact CB-CG2 4.23Å; L1444-I1467 HydrophobicContact CD1-CG2 4.29Å; L1444-I1467 HydrophobicContact CD2-CG2 4.28Å; L1444-N1469 HydrophobicContact CD2-CB 3.95Å; L1444-F1479 HydrophobicContact CD1-CB 4.32Å; L1444-F1479 HydrophobicContact CD1-CG 4.42Å; L1444-F1479 HydrophobicContact CD2-CB 4.28Å; L1444-F1479 HydrophobicContact CD2-CD2 3.93Å; L1444-F1479 HydrophobicContact CD2-CE2 4.42Å; L1444-F1479 HydrophobicContact CD2-CG 4.07Å; L1444-F1479 HydrophobicContact CG-CG 4.43Å; L1444-I1509 HydrophobicContact CD1-CD1 4.47Å; L1444-I1509 HydrophobicContact CD2-CD1 4.22Å; L1444-W1662 HydrophobicContact CD1-CB 4.3Å; L1444-W1662 HydrophobicContact CD1-CD2 4.09Å; L1444-W1662 HydrophobicContact CD1-CG 3.78Å |
| 1445 | N | 63.7 | Low | 64.8 | Low | 64 Ų | 64 | 52.5 Ų | 52.5 | 34% | 0.342 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 126.6 | 173.7 | -174.9 | 25.1 | 0 | 0 | 0 | 109.3 | I1467 K1468 V1470 | N1445-I1467 CarbonylContact O-C 3.52Å; N1445-I1467 WeakPolarHBondContact O-CA 3.18Å; N1445-K1468 HydrophobicContact CB-CB 4.4Å; N1445-K1468 PolarHBondContact N-O 3.13Å; N1445-K1468 PolarHBondContact O-N 2.71Å; N1445-V1470 HydrophobicContact CB-CG2 3.2Å |
| 1446 | F | 64.9 | Low | 63.5 | Low | 25 Ų | 25 | 50.3 Ų | 50.3 | 11% | 0.11 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 112.5 | -178.1 | -62.1 | -93.5 | 0 | 0 | 0 | 108.1 | L1444 Q1466 I1467 I1660 S1681 L1683 | L1444-F1446 HydrophobicContact CB-CD2 4.25Å; L1444-F1446 HydrophobicContact CB-CE2 3.39Å; L1444-F1446 HydrophobicContact CB-CZ 3.58Å; L1444-F1446 HydrophobicContact CD1-CE2 4.46Å; L1444-F1446 HydrophobicContact CD1-CZ 3.84Å; L1444-F1446 HydrophobicContact CG-CZ 4.38Å; L1444-F1446 VanDerWaalsContact O-CD2 3.29Å; L1444-F1446 WeakPolarHBondContact O-CD2 3.22Å; L1444-F1446 VanDerWaalsContact O-CE2 3.32Å; L1444-F1446 WeakPolarHBondContact O-CE2 3.48Å; F1446-Q1466 CarbonylContact C-O 3.57Å; F1446-Q1466 WeakPolarHBondContact CA-O 3.19Å; F1446-I1467 HydrophobicContact CD1-CB 4.35Å; F1446-I1467 HydrophobicContact CD1-CD1 4.14Å; F1446-I1467 HydrophobicContact CD1-CG1 3.72Å; F1446-I1467 HydrophobicContact CD1-CG2 3.99Å; F1446-I1467 HydrophobicContact CE1-CB 4.34Å; F1446-I1467 HydrophobicContact CE1-CD1 3.86Å; F1446-I1467 HydrophobicContact CE1-CG1 3.85Å; F1446-I1467 HydrophobicContact CE1-CG2 3.63Å; F1446-I1467 HydrophobicContact CZ-CG2 4.11Å; F1446-I1660 HydrophobicContact CD1-CD1 3.43Å; F1446-I1660 VanDerWaalsContact CD1-CD1 3.43Å; F1446-I1660 HydrophobicContact CE1-CB 4.16Å; F1446-I1660 HydrophobicContact CE1-CD1 3.41Å; F1446-I1660 VanDerWaalsContact CE1-CD1 3.41Å; F1446-I1660 HydrophobicContact CE1-CG1 4.37Å; F1446-I1660 HydrophobicContact CE1-CG2 3.96Å; F1446-I1660 HydrophobicContact CG-CD1 4.48Å; F1446-I1660 HydrophobicContact CZ-CD1 4.44Å; F1446-I1660 HydrophobicContact CZ-CG2 4.34Å; F1446-S1681 WeakPolarHBondContact CE2-OG 3.27Å; F1446-S1681 VanDerWaalsContact CZ-CB 3.41Å; F1446-L1683 HydrophobicContact CB-CB 4.47Å; F1446-L1683 HydrophobicContact CB-CD1 3.76Å; F1446-L1683 HydrophobicContact CB-CD2 3.93Å; F1446-L1683 HydrophobicContact CB-CG 4.28Å; F1446-L1683 WeakPolarHBondContact O-CD1 3.4Å |
| 1447 | E | 67.1 | Low | 62.2 | Low | 104 Ų | 104 | 55.7 Ų | 55.7 | 49% | 0.486 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 131.9 | 166 | -79.8 | -176.8 | 158.2 | 0 | 0 | 108 | V1465 Q1466 | E1447-V1465 CarbonylContact O-C 3.43Å; E1447-V1465 WeakPolarHBondContact O-CA 3.37Å; E1447-Q1466 HydrophobicContact CB-CB 4.27Å; E1447-Q1466 PolarHBondContact N-O 2.74Å; E1447-Q1466 WeakPolarHBondContact O-CA 3.49Å; E1447-Q1466 PolarHBondContact O-N 3.43Å; E1447-Q1466 VanDerWaalsContact O-O 3.09Å |
| 1448 | A | 68.9 | Low | 61 | Low | 26 Ų | 26 | 56.1 Ų | 56.1 | 22% | 0.215 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 138.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | I1463 S1464 V1465 L1683 I1685 | A1448-I1463 HydrophobicContact CB-CG2 4.42Å; A1448-S1464 CarbonylContact C-O 3.46Å; A1448-S1464 VanDerWaalsContact CA-O 3.27Å; A1448-S1464 WeakPolarHBondContact CA-O 3.08Å; A1448-V1465 HydrophobicContact CB-CB 4.41Å; A1448-V1465 HydrophobicContact CB-CG1 4.44Å; A1448-V1465 HydrophobicContact CB-CG2 3.96Å; A1448-L1683 HydrophobicContact CB-CD1 4.43Å; A1448-L1683 HydrophobicContact CB-CD2 3.36Å; A1448-L1683 HydrophobicContact CB-CG 4.03Å; A1448-I1685 HydrophobicContact CB-CD1 3.79Å; A1448-I1685 HydrophobicContact CB-CG1 3.66Å |
| 1449 | V | 67.2 | Low | 60.4 | Low | 49 Ų | 49 | 58.4 Ų | 58.4 | 30% | 0.297 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 127 | -178.6 | 178.1 | 0 | 0 | 0 | 0 | 107.3 | I1463 S1464 N1689 | V1449-I1463 CarbonylContact O-C 3.54Å; V1449-I1463 WeakPolarHBondContact O-CA 3.22Å; V1449-S1464 PolarHBondContact N-O 3.4Å; V1449-S1464 PolarHBondContact O-N 2.9Å; V1449-S1464 PolarHBondContact O-OG 3.43Å; V1449-N1689 WeakPolarHBondContact CG1-ND2 3.34Å |
| 1450 | A | 68.5 | Low | 60.5 | Low | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 125.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | L1462 I1463 L1654 I1685 L1688 N1689 | A1450-L1462 CarbonylContact C-O 3.54Å; A1450-L1462 WeakPolarHBondContact CA-O 3.38Å; A1450-I1463 HydrophobicContact CB-CG1 4.19Å; A1450-L1654 HydrophobicContact CB-CD2 3.62Å; A1450-I1685 HydrophobicContact CB-CG2 4.02Å; A1450-L1688 HydrophobicContact CB-CD2 3.99Å; A1450-N1689 PolarHBondContact O-N 3.27Å; A1450-N1689 VanDerWaalsContact O-N 3.17Å |
| 1451 | N | 69.7 | Low | 60.9 | Low | 56 Ų | 56 | 57.7 Ų | 57.7 | 30% | 0.299 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 155.7 | 176.9 | -65.3 | -21.9 | 0 | 0 | 0 | 109.5 | L1461 L1462 N1689 | N1451-L1461 CarbonylContact O-C 3.51Å; N1451-L1461 VanDerWaalsContact O-CA 3.31Å; N1451-L1461 WeakPolarHBondContact O-CA 3.4Å; N1451-L1462 PolarHBondContact N-O 3.19Å; N1451-L1462 PolarHBondContact O-N 3.25Å; N1451-N1689 WeakPolarHBondContact OD1-CB 3.16Å; N1451-N1689 PolarHBondContact OD1-ND2 2.98Å |
| 1452 | C | 63.1 | Low | 61.7 | Low | 26 Ų | 26 | 56.9 Ų | 56.9 | 18% | 0.176 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 139.2 | 174.3 | -57.2 | 0 | 0 | 0 | 0 | 110.9 | N1454 L1461 V1692 | C1452-N1454 PolarHBondContact O-N 3.21Å; C1452-L1461 HydrophobicContact CB-CD2 4.27Å; C1452-L1461 WeakPolarHBondContact SG-CD2 3.35Å; C1452-V1692 HydrophobicContact CB-CG2 4.06Å; C1452-V1692 WeakPolarHBondContact SG-CG2 3.09Å |
| 1453 | L | 58.7 | Low | 62.7 | Low | 46 Ų | 46 | 54.8 Ų | 54.8 | 24% | 0.241 | 29% | 0.294 | C | S | . | . | trans | -85.2 | 100.6 | 174.7 | -90.2 | 143.5 | 0 | 0 | 0 | 109.5 | I1455 D1460 L1462 I1496 K1520 | L1453-I1455 PolarHBondContact O-N 3.42Å; L1453-I1455 VanDerWaalsContact O-N 3.07Å; L1453-D1460 PolarHBondContact N-O 3.38Å; L1453-L1462 HydrophobicContact CD1-CB 3.89Å; L1453-L1462 HydrophobicContact CG-CB 4.02Å; L1453-I1496 HydrophobicContact CD1-CD1 4.38Å; L1453-K1520 HydrophobicContact CD1-CG 4.27Å | ||
| 1454 | N | 51.9 | Low | 63.6 | Low | 164 Ų | 164 | 55.6 Ų | 55.6 | 88% | 0.877 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -0.1 | -179.5 | -80.1 | -1.8 | 0 | 0 | 0 | 115.3 | C1452 | C1452-N1454 PolarHBondContact O-N 3.21Š|
| 1455 | I | 53.2 | Low | 64.3 | Low | 160 Ų | 160 | 55.3 Ų | 55.3 | 82% | 0.821 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.1 | -15.4 | -170.9 | -61.7 | 168.4 | 0 | 0 | 0 | 112.5 | L1453 | L1453-I1455 PolarHBondContact O-N 3.42Å; L1453-I1455 VanDerWaalsContact O-N 3.07Å |
| 1456 | T | 47.5 | Very low | 64.8 | Low | 59 Ų | 59 | 56.3 Ų | 56.3 | 36% | 0.362 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -131.1 | 145.5 | 179.6 | 56.1 | 0 | 0 | 0 | 0 | 109 | ||
| 1457 | D | 48.1 | Very low | 65.2 | Low | 127 Ų | 127 | 55.1 Ų | 55.1 | 68% | 0.679 | 30% | 0.296 | S | S | * | . | S | Bend | trans | 0.6 | 115.2 | 176.3 | -70.3 | -18.2 | 0 | 0 | 0 | 115 | N1459 D1460 | D1457-N1459 PolarHBondContact O-N 2.68Å; D1457-D1460 PolarHBondContact O-N 3.07Å; D1457-D1460 VanDerWaalsContact O-N 3.15Å |
| 1458 | I | 48 | Very low | 65.2 | Low | 119 Ų | 119 | 54.5 Ų | 54.5 | 61% | 0.61 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.3 | -1.1 | -163.5 | -66.9 | 168.1 | 0 | 0 | 0 | 117.2 | ||
| 1459 | N | 60.6 | Low | 65.2 | Low | 51 Ų | 51 | 53.3 Ų | 53.3 | 27% | 0.273 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.4 | -4.5 | -175.5 | -57.7 | -2.6 | 0 | 0 | 0 | 115.1 | D1457 P1523 M1694 | D1457-N1459 PolarHBondContact O-N 2.68Å; N1459-P1523 HydrophobicContact CB-CG 3.6Å; N1459-P1523 WeakPolarHBondContact O-CD 3.22Å; N1459-M1694 HydrophobicContact CB-CE 4.39Å; N1459-M1694 WeakPolarHBondContact OD1-CE 3.14Å |
| 1460 | D | 70.2 | Confident | 64.8 | Low | 20 Ų | 20 | 52.6 Ų | 52.6 | 11% | 0.107 | 28% | 0.278 | C | S | . | . | trans | -79.7 | 137.3 | -179.2 | -71.5 | -29.3 | 0 | 0 | 0 | 113.1 | L1453 D1457 K1520 S1522 | L1453-D1460 PolarHBondContact N-O 3.38Å; D1457-D1460 PolarHBondContact O-N 3.07Å; D1457-D1460 VanDerWaalsContact O-N 3.15Å; D1460-K1520 WeakPolarHBondContact OD2-CE 3.26Å; D1460-K1520 IonicContact OD2-NZ 2.67Å; D1460-K1520 PolarHBondContact OD2-NZ 2.77Å; D1460-S1522 VanDerWaalsContact OD1-CA 3.24Å; D1460-S1522 WeakPolarHBondContact OD1-CA 3.38Å; D1460-S1522 WeakPolarHBondContact OD1-CB 3.44Å | ||
| 1461 | L | 72.4 | Confident | 64.3 | Low | 6 Ų | 6 | 52.9 Ų | 52.9 | 3% | 0.031 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 138 | 177.7 | -59.9 | 176.6 | 0 | 0 | 0 | 111.5 | N1451 C1452 W1491 K1520 A1521 L1654 L1688 | N1451-L1461 CarbonylContact O-C 3.51Å; N1451-L1461 VanDerWaalsContact O-CA 3.31Å; N1451-L1461 WeakPolarHBondContact O-CA 3.4Å; C1452-L1461 HydrophobicContact CB-CD2 4.27Å; C1452-L1461 WeakPolarHBondContact SG-CD2 3.35Å; L1461-W1491 HydrophobicContact CB-CZ3 4.42Å; L1461-W1491 HydrophobicContact CD1-CE3 4.05Å; L1461-W1491 HydrophobicContact CD1-CH2 3.33Å; L1461-W1491 HydrophobicContact CD1-CZ2 4.07Å; L1461-W1491 HydrophobicContact CD1-CZ3 3.3Å; L1461-W1491 HydrophobicContact CG-CH2 3.96Å; L1461-W1491 HydrophobicContact CG-CZ3 3.7Å; L1461-K1520 CarbonylContact O-C 3.38Å; L1461-K1520 VanDerWaalsContact O-CA 3.28Å; L1461-K1520 WeakPolarHBondContact O-CA 3.36Å; L1461-A1521 HydrophobicContact CB-CB 4.2Å; L1461-A1521 PolarHBondContact N-O 3.22Å; L1461-A1521 PolarHBondContact O-N 2.78Å; L1461-L1654 HydrophobicContact CD1-CD1 3.11Å; L1461-L1654 HydrophobicContact CD1-CD2 3.64Å; L1461-L1654 HydrophobicContact CD1-CG 3.99Å; L1461-L1688 HydrophobicContact CD1-CD2 3.87Å; L1461-L1688 HydrophobicContact CD2-CD2 3.4Å; L1461-L1688 VanDerWaalsContact CD2-CD2 3.4Å; L1461-L1688 HydrophobicContact CG-CD2 4.25Å |
| 1462 | L | 79.5 | Confident | 63.6 | Low | 39 Ų | 39 | 59 Ų | 59 | 20% | 0.204 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 109.2 | 164.8 | 179.7 | 67.5 | 0 | 0 | 0 | 109.5 | A1450 N1451 L1453 I1496 Y1518 F1519 | A1450-L1462 CarbonylContact C-O 3.54Å; A1450-L1462 WeakPolarHBondContact CA-O 3.38Å; N1451-L1462 PolarHBondContact N-O 3.19Å; N1451-L1462 PolarHBondContact O-N 3.25Å; L1453-L1462 HydrophobicContact CD1-CB 3.89Å; L1453-L1462 HydrophobicContact CG-CB 4.02Å; L1462-I1496 HydrophobicContact CD1-CD1 3.22Å; L1462-I1496 HydrophobicContact CD1-CG1 4.33Å; L1462-Y1518 HydrophobicContact CD1-CD1 4.18Å; L1462-Y1518 HydrophobicContact CD2-CD1 4.45Å; L1462-Y1518 HydrophobicContact CG-CD1 4.41Å; L1462-F1519 CarbonylContact C-O 3.51Å; L1462-F1519 WeakPolarHBondContact CA-O 3.32Å |
| 1463 | I | 76.2 | Confident | 62.9 | Low | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 115.1 | 170.2 | -55.9 | 173.1 | 0 | 0 | 0 | 108.9 | A1448 V1449 A1450 V1465 I1493 Y1518 F1519 A1521 I1656 I1685 | A1448-I1463 HydrophobicContact CB-CG2 4.42Å; V1449-I1463 CarbonylContact O-C 3.54Å; V1449-I1463 WeakPolarHBondContact O-CA 3.22Å; A1450-I1463 HydrophobicContact CB-CG1 4.19Å; I1463-V1465 HydrophobicContact CG2-CG2 3.78Å; I1463-I1493 HydrophobicContact CD1-CD1 4.12Å; I1463-Y1518 CarbonylContact O-C 3.58Å; I1463-Y1518 WeakPolarHBondContact O-CA 3.35Å; I1463-F1519 HydrophobicContact CB-CB 4.27Å; I1463-F1519 PolarHBondContact N-O 2.86Å; I1463-F1519 PolarHBondContact O-N 3.42Å; I1463-A1521 HydrophobicContact CD1-CB 3.55Å; I1463-A1521 HydrophobicContact CG1-CB 4.04Å; I1463-I1656 HydrophobicContact CD1-CD1 3.63Å; I1463-I1656 HydrophobicContact CD1-CG2 3.97Å; I1463-I1656 HydrophobicContact CG1-CD1 4.48Å; I1463-I1685 HydrophobicContact CD1-CD1 3.96Å; I1463-I1685 HydrophobicContact CG1-CD1 4.41Å; I1463-I1685 HydrophobicContact CG2-CD1 3.43Å; I1463-I1685 VanDerWaalsContact CG2-CD1 3.43Å |
| 1464 | S | 76.1 | Confident | 62.4 | Low | 20 Ų | 20 | 64.8 Ų | 64.8 | 14% | 0.14 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 117.7 | 164 | 57.3 | 0 | 0 | 0 | 0 | 109.7 | A1448 V1449 L1517 | A1448-S1464 CarbonylContact C-O 3.46Å; A1448-S1464 VanDerWaalsContact CA-O 3.27Å; A1448-S1464 WeakPolarHBondContact CA-O 3.08Å; V1449-S1464 PolarHBondContact N-O 3.4Å; V1449-S1464 PolarHBondContact O-N 2.9Å; V1449-S1464 PolarHBondContact O-OG 3.43Å; S1464-L1517 CarbonylContact C-O 3.55Å; S1464-L1517 WeakPolarHBondContact CA-O 3.23Å |
| 1465 | V | 74.9 | Confident | 62.3 | Low | 1 Ų | 1 | 59.5 Ų | 59.5 | 1% | 0.006 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 106.2 | 173.7 | -175.5 | 0 | 0 | 0 | 0 | 108.8 | E1447 A1448 I1463 I1467 T1516 L1517 F1519 L1658 I1660 L1683 | E1447-V1465 CarbonylContact O-C 3.43Å; E1447-V1465 WeakPolarHBondContact O-CA 3.37Å; A1448-V1465 HydrophobicContact CB-CB 4.41Å; A1448-V1465 HydrophobicContact CB-CG1 4.44Å; A1448-V1465 HydrophobicContact CB-CG2 3.96Å; I1463-V1465 HydrophobicContact CG2-CG2 3.78Å; V1465-I1467 HydrophobicContact CG1-CD1 4.48Å; V1465-I1467 HydrophobicContact CG1-CG1 3.98Å; V1465-T1516 CarbonylContact O-C 3.52Å; V1465-T1516 WeakPolarHBondContact O-CA 3.35Å; V1465-L1517 HydrophobicContact CB-CB 4.45Å; V1465-L1517 PolarHBondContact N-O 3.42Å; V1465-L1517 PolarHBondContact O-N 3Å; V1465-F1519 HydrophobicContact CB-CE2 4.12Å; V1465-F1519 HydrophobicContact CG2-CD2 3.84Å; V1465-F1519 HydrophobicContact CG2-CE2 3.63Å; V1465-L1658 HydrophobicContact CG2-CD1 3.73Å; V1465-I1660 HydrophobicContact CG1-CD1 4.44Å; V1465-L1683 HydrophobicContact CB-CD2 4.49Å; V1465-L1683 HydrophobicContact CG1-CD2 3.54Å; V1465-L1683 HydrophobicContact CG2-CD2 4.25Å |
| 1466 | Q | 74.9 | Confident | 62.5 | Low | 84 Ų | 84 | 55.7 Ų | 55.7 | 39% | 0.393 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 124 | 166 | -83.1 | -175.1 | -22 | 0 | 0 | 110.8 | F1446 E1447 I1514 I1515 T1516 | F1446-Q1466 CarbonylContact C-O 3.57Å; F1446-Q1466 WeakPolarHBondContact CA-O 3.19Å; E1447-Q1466 HydrophobicContact CB-CB 4.27Å; E1447-Q1466 PolarHBondContact N-O 2.74Å; E1447-Q1466 WeakPolarHBondContact O-CA 3.49Å; E1447-Q1466 PolarHBondContact O-N 3.43Å; E1447-Q1466 VanDerWaalsContact O-O 3.09Å; Q1466-I1514 HydrophobicContact CB-CG2 4.39Å; Q1466-I1514 HydrophobicContact CG-CG2 4.26Å; Q1466-I1515 CarbonylContact C-O 3.44Å; Q1466-I1515 WeakPolarHBondContact CA-O 3.24Å; Q1466-T1516 HydrophobicContact CG-CG2 3.85Å; Q1466-T1516 VanDerWaalsContact CG-OG1 3.31Å; Q1466-T1516 WeakPolarHBondContact CG-OG1 3.31Å |
| 1467 | I | 72.8 | Confident | 63.1 | Low | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 107.5 | 175.9 | -49.6 | 175.6 | 0 | 0 | 0 | 106.5 | L1444 N1445 F1446 V1465 I1481 I1509 I1514 I1515 L1517 | L1444-I1467 HydrophobicContact CB-CG2 4.23Å; L1444-I1467 HydrophobicContact CD1-CG2 4.29Å; L1444-I1467 HydrophobicContact CD2-CG2 4.28Å; N1445-I1467 CarbonylContact O-C 3.52Å; N1445-I1467 WeakPolarHBondContact O-CA 3.18Å; F1446-I1467 HydrophobicContact CD1-CB 4.35Å; F1446-I1467 HydrophobicContact CD1-CD1 4.14Å; F1446-I1467 HydrophobicContact CD1-CG1 3.72Å; F1446-I1467 HydrophobicContact CD1-CG2 3.99Å; F1446-I1467 HydrophobicContact CE1-CB 4.34Å; F1446-I1467 HydrophobicContact CE1-CD1 3.86Å; F1446-I1467 HydrophobicContact CE1-CG1 3.85Å; F1446-I1467 HydrophobicContact CE1-CG2 3.63Å; F1446-I1467 HydrophobicContact CZ-CG2 4.11Å; V1465-I1467 HydrophobicContact CG1-CD1 4.48Å; V1465-I1467 HydrophobicContact CG1-CG1 3.98Å; I1467-I1481 HydrophobicContact CD1-CD1 3.37Å; I1467-I1481 HydrophobicContact CD1-CG1 4.49Å; I1467-I1509 HydrophobicContact CB-CD1 4.13Å; I1467-I1509 HydrophobicContact CG2-CD1 3.55Å; I1467-I1514 WeakPolarHBondContact O-CA 3.24Å; I1467-I1515 PolarHBondContact N-O 2.7Å; I1467-I1515 PolarHBondContact O-N 3.03Å; I1467-L1517 HydrophobicContact CD1-CD1 3.7Å; I1467-L1517 HydrophobicContact CD1-CG 4.36Å |
| 1468 | K | 67.3 | Low | 63.9 | Low | 91 Ų | 91 | 49.5 Ų | 49.5 | 40% | 0.396 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 123 | 176.5 | -179.2 | 173.7 | -177.2 | 180 | 0 | 109.3 | N1445 V1470 I1514 | N1445-K1468 HydrophobicContact CB-CB 4.4Å; N1445-K1468 PolarHBondContact N-O 3.13Å; N1445-K1468 PolarHBondContact O-N 2.71Å; K1468-V1470 HydrophobicContact CB-CG2 4.42Å; K1468-V1470 HydrophobicContact CD-CG2 4.42Å; K1468-V1470 HydrophobicContact CG-CG2 4.09Å; K1468-V1470 WeakPolarHBondContact O-CG2 3.39Å; K1468-V1470 PolarHBondContact O-N 2.79Å; K1468-V1470 VanDerWaalsContact O-N 3.15Å; K1468-I1514 HydrophobicContact CB-CG1 3.96Å; K1468-I1514 HydrophobicContact CD-CD1 4.03Å; K1468-I1514 HydrophobicContact CD-CG1 4.06Å; K1468-I1514 HydrophobicContact CG-CD1 4.28Å; K1468-I1514 HydrophobicContact CG-CG1 3.73Å |
| 1469 | N | 67.7 | Low | 64.8 | Low | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | trans | -75.6 | 101.8 | 166.4 | -177.7 | -0.7 | 0 | 0 | 0 | 109.4 | L1444 V1471 F1479 I1509 H1510 V1511 G1512 E1513 | L1444-N1469 HydrophobicContact CD2-CB 3.95Å; N1469-V1471 VanDerWaalsContact C-N 3.31Å; N1469-V1471 VanDerWaalsContact OD1-CB 3.29Å; N1469-V1471 WeakPolarHBondContact OD1-CB 3.21Å; N1469-V1471 VanDerWaalsContact OD1-CG2 3.27Å; N1469-V1471 WeakPolarHBondContact OD1-CG2 3.28Å; N1469-V1471 PolarHBondContact OD1-N 3.2Å; N1469-V1471 VanDerWaalsContact OD1-N 3.12Å; N1469-F1479 WeakPolarHBondContact ND2-CD2 3.45Å; N1469-F1479 WeakPolarHBondContact ND2-CE2 3.3Å; N1469-I1509 HydrophobicContact CB-CG2 3.61Å; N1469-H1510 WeakPolarHBondContact CB-O 3.5Å; N1469-H1510 PolarHBondContact ND2-O 2.77Å; N1469-H1510 VanDerWaalsContact ND2-O 3.09Å; N1469-V1511 WeakPolarHBondContact ND2-CA 3.42Å; N1469-V1511 PolarHBondContact ND2-N 3.45Å; N1469-G1512 WeakPolarHBondContact O-CA 3.07Å; N1469-G1512 PolarHBondContact O-N 2.81Å; N1469-E1513 PolarHBondContact N-O 2.91Å; N1469-E1513 VanDerWaalsContact N-O 3.09Å | ||
| 1470 | V | 60.4 | Low | 65 | Low | 35 Ų | 35 | 45 Ų | 45 | 21% | 0.212 | 24% | 0.242 | C | C | . | . | trans | -91.5 | 10.4 | -178.8 | -147.4 | 0 | 0 | 0 | 0 | 112.5 | N1445 K1468 H1472 | N1445-V1470 HydrophobicContact CB-CG2 3.2Å; K1468-V1470 HydrophobicContact CB-CG2 4.42Å; K1468-V1470 HydrophobicContact CD-CG2 4.42Å; K1468-V1470 HydrophobicContact CG-CG2 4.09Å; K1468-V1470 WeakPolarHBondContact O-CG2 3.39Å; K1468-V1470 PolarHBondContact O-N 2.79Å; K1468-V1470 VanDerWaalsContact O-N 3.15Å; V1470-H1472 PolarHBondContact O-N 2.98Å | ||
| 1471 | V | 57.2 | Low | 64.8 | Low | 5 Ų | 5 | 44.6 Ų | 44.6 | 3% | 0.03 | 24% | 0.24 | C | C | . | . | trans | -71.2 | 103.2 | -179.8 | -178.8 | 0 | 0 | 0 | 0 | 109.5 | Y1228 S1443 N1469 S1473 M1477 F1479 V1511 | Y1228-V1471 HydrophobicContact CE1-CG2 4.22Å; S1443-V1471 WeakPolarHBondContact O-CG2 3.5Å; N1469-V1471 VanDerWaalsContact C-N 3.31Å; N1469-V1471 VanDerWaalsContact OD1-CB 3.29Å; N1469-V1471 WeakPolarHBondContact OD1-CB 3.21Å; N1469-V1471 VanDerWaalsContact OD1-CG2 3.27Å; N1469-V1471 WeakPolarHBondContact OD1-CG2 3.28Å; N1469-V1471 PolarHBondContact OD1-N 3.2Å; N1469-V1471 VanDerWaalsContact OD1-N 3.12Å; V1471-S1473 PolarHBondContact O-N 2.94Å; V1471-M1477 HydrophobicContact CG1-CE 4.43Å; V1471-F1479 HydrophobicContact CG2-CE2 4.08Å; V1471-F1479 HydrophobicContact CG2-CZ 4.17Å; V1471-V1511 WeakPolarHBondContact O-CG1 3.17Å | ||
| 1472 | H | 54.2 | Low | 64.4 | Low | 186 Ų | 186 | 47.9 Ų | 47.9 | 86% | 0.861 | 26% | 0.256 | S | S | * | . | trans | -78.8 | 74 | 167 | -65.6 | -70.9 | 0 | 0 | 0 | 109.8 | V1470 | V1470-H1472 PolarHBondContact O-N 2.98Š| ||
| 1473 | S | 49.7 | Very low | 63.6 | Low | 44 Ų | 44 | 50 Ų | 50 | 31% | 0.308 | 27% | 0.265 | S | S | . | . | trans | -105.2 | 144.7 | 175 | 165.9 | 0 | 0 | 0 | 0 | 110.2 | V1471 V1475 | V1471-S1473 PolarHBondContact O-N 2.94Å; S1473-V1475 WeakPolarHBondContact CB-O 3.43Å; S1473-V1475 PolarHBondContact OG-N 2.79Å; S1473-V1475 PolarHBondContact OG-O 3.25Å | ||
| 1474 | T | 48.6 | Very low | 63 | Low | 149 Ų | 149 | 51.4 Ų | 51.4 | 91% | 0.914 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -70.2 | -23.3 | 170.5 | 49.2 | 0 | 0 | 0 | 0 | 112.5 | ||
| 1475 | V | 49.8 | Very low | 62.3 | Low | 53 Ų | 53 | 51 Ų | 51 | 32% | 0.321 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -95.4 | 125.1 | 174.4 | -176.3 | 0 | 0 | 0 | 0 | 108.9 | S1473 M1477 E1667 | S1473-V1475 WeakPolarHBondContact CB-O 3.43Å; S1473-V1475 PolarHBondContact OG-N 2.79Å; S1473-V1475 PolarHBondContact OG-O 3.25Å; V1475-M1477 PolarHBondContact O-N 3.19Å; V1475-E1667 WeakPolarHBondContact CG1-O 3.38Å |
| 1476 | P | 55.5 | Low | 61.8 | Low | 79 Ų | 79 | 51.4 Ų | 51.4 | 51% | 0.513 | 27% | 0.273 | S | S | . | . | trans | -61.7 | 122.8 | 173.8 | 24.6 | -30.9 | 0 | 0 | 0 | 109.6 | ||||
| 1477 | M | 60.1 | Low | 60.7 | Low | 15 Ų | 15 | 48.8 Ų | 48.8 | 7% | 0.074 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 132.4 | 170.4 | -84.3 | -140.4 | -97.6 | 0 | 0 | 109.8 | V1471 V1475 F1479 V1511 T1666 I1677 | V1471-M1477 HydrophobicContact CG1-CE 4.43Å; V1475-M1477 PolarHBondContact O-N 3.19Å; M1477-F1479 HydrophobicContact CB-CE2 4.07Å; M1477-F1479 HydrophobicContact CB-CZ 4.41Å; M1477-F1479 HydrophobicContact CE-CZ 4.32Å; M1477-F1479 HydrophobicContact SD-CZ 4.3Å; M1477-V1511 HydrophobicContact CB-CG2 4.44Å; M1477-T1666 HydrophobicContact CE-CG2 4.49Å; M1477-T1666 HydrophobicContact CG-CG2 3.54Å; M1477-T1666 HydrophobicContact SD-CG2 3.29Å; M1477-T1666 WeakPolarHBondContact SD-CG2 3.39Å; M1477-I1677 HydrophobicContact CE-CD1 4.1Å; M1477-I1677 HydrophobicContact SD-CD1 3.61Å |
| 1478 | N | 65.7 | Low | 60 | Low | 41 Ų | 41 | 49.6 Ų | 49.6 | 22% | 0.219 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 124 | 176.4 | -61 | -9.2 | 0 | 0 | 0 | 108.4 | H1510 G1664 S1665 | N1478-H1510 VanDerWaalsContact CG-CE1 3.48Å; N1478-H1510 VanDerWaalsContact CG-ND1 3.32Å; N1478-H1510 PolarHBondContact ND2-CE1 2.75Å; N1478-H1510 PolarHBondContact OD1-CE1 2.79Å; N1478-H1510 VanDerWaalsContact OD1-CE1 3.28Å; N1478-H1510 PolarHBondContact OD1-ND1 2.95Å; N1478-G1664 CarbonylContact O-C 3.51Å; N1478-G1664 VanDerWaalsContact O-CA 3.27Å; N1478-G1664 WeakPolarHBondContact O-CA 3.25Å; N1478-S1665 PolarHBondContact N-O 2.66Å; N1478-S1665 VanDerWaalsContact N-O 3.13Å; N1478-S1665 PolarHBondContact O-N 3.42Å |
| 1479 | F | 67 | Low | 59.1 | Low | 4 Ų | 4 | 50.8 Ų | 50.8 | 2% | 0.018 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 124.8 | 175.2 | -66.1 | -82.9 | 0 | 0 | 0 | 110.7 | L1444 N1469 V1471 M1477 S1508 I1509 W1662 K1663 | L1444-F1479 HydrophobicContact CD1-CB 4.32Å; L1444-F1479 HydrophobicContact CD1-CG 4.42Å; L1444-F1479 HydrophobicContact CD2-CB 4.28Å; L1444-F1479 HydrophobicContact CD2-CD2 3.93Å; L1444-F1479 HydrophobicContact CD2-CE2 4.42Å; L1444-F1479 HydrophobicContact CD2-CG 4.07Å; L1444-F1479 HydrophobicContact CG-CG 4.43Å; N1469-F1479 WeakPolarHBondContact ND2-CD2 3.45Å; N1469-F1479 WeakPolarHBondContact ND2-CE2 3.3Å; V1471-F1479 HydrophobicContact CG2-CE2 4.08Å; V1471-F1479 HydrophobicContact CG2-CZ 4.17Å; M1477-F1479 HydrophobicContact CB-CE2 4.07Å; M1477-F1479 HydrophobicContact CB-CZ 4.41Å; M1477-F1479 HydrophobicContact CE-CZ 4.32Å; M1477-F1479 HydrophobicContact SD-CZ 4.3Å; F1479-S1508 CarbonylContact O-C 3.5Å; F1479-S1508 VanDerWaalsContact O-CA 3.32Å; F1479-S1508 WeakPolarHBondContact O-CA 3.39Å; F1479-I1509 HydrophobicContact CB-CB 4.4Å; F1479-I1509 PolarHBondContact N-O 2.82Å; F1479-I1509 PolarHBondContact O-N 2.78Å; F1479-W1662 HydrophobicContact CD1-CD2 4.1Å; F1479-W1662 AromaticContact CD1-CE3 3.36Å; F1479-W1662 HydrophobicContact CD1-CE3 3.36Å; F1479-W1662 HydrophobicContact CD1-CH2 4.23Å; F1479-W1662 AromaticContact CD1-CZ3 3.45Å; F1479-W1662 HydrophobicContact CD1-CZ3 3.45Å; F1479-W1662 VanDerWaalsContact CD1-CZ3 3.45Å; F1479-W1662 AromaticContact CE1-CE3 3.75Å; F1479-W1662 HydrophobicContact CE1-CE3 3.75Å; F1479-W1662 AromaticContact CE1-CH2 3.75Å; F1479-W1662 HydrophobicContact CE1-CH2 3.75Å; F1479-W1662 AromaticContact CE1-CZ3 3.28Å; F1479-W1662 HydrophobicContact CE1-CZ3 3.28Å; F1479-K1663 CarbonylContact C-O 3.58Å |
| 1480 | Q | 65.7 | Low | 58.7 | Low | 71 Ų | 71 | 58.2 Ų | 58.2 | 33% | 0.332 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 126.4 | 175.3 | -175.7 | 177.4 | 7.9 | 0 | 0 | 109.7 | M1482 I1506 W1662 K1663 | Q1480-M1482 HydrophobicContact CG-SD 4.23Å; Q1480-M1482 PolarHBondContact O-N 2.75Å; Q1480-I1506 HydrophobicContact CG-CB 4Å; Q1480-I1506 HydrophobicContact CG-CG2 3.45Å; Q1480-I1506 VanDerWaalsContact CG-CG2 3.45Å; Q1480-W1662 CarbonylContact O-C 3.54Å; Q1480-W1662 WeakPolarHBondContact O-CA 3.36Å; Q1480-W1662 WeakPolarHBondContact O-CB 3.28Å; Q1480-K1663 PolarHBondContact N-O 2.88Å; Q1480-K1663 PolarHBondContact O-N 2.81Å |
| 1481 | I | 66.1 | Low | 59.2 | Low | 12 Ų | 12 | 58.6 Ų | 58.6 | 6% | 0.062 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 110.7 | 177.5 | -60 | 173.4 | 0 | 0 | 0 | 110.3 | I1467 I1484 I1506 I1509 L1517 I1660 T1661 | I1467-I1481 HydrophobicContact CD1-CD1 3.37Å; I1467-I1481 HydrophobicContact CD1-CG1 4.49Å; I1481-I1484 HydrophobicContact CG2-CD1 4.11Å; I1481-I1484 HydrophobicContact CG2-CG1 3.91Å; I1481-I1506 HydrophobicContact CB-CG2 4.32Å; I1481-I1506 WeakPolarHBondContact O-CG2 3.27Å; I1481-I1509 HydrophobicContact CD1-CD1 4.15Å; I1481-I1509 HydrophobicContact CG1-CD1 4.22Å; I1481-L1517 HydrophobicContact CD1-CD1 3.92Å; I1481-I1660 HydrophobicContact CG2-CG2 3.93Å; I1481-T1661 CarbonylContact C-O 3.58Å |
| 1482 | M | 63.8 | Low | 59.7 | Low | 76 Ų | 76 | 58.9 Ų | 58.9 | 37% | 0.374 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | -37.3 | -175.6 | -65 | -59.6 | -53.4 | 0 | 0 | 113.2 | Q1480 T1661 K1663 W1678 | Q1480-M1482 HydrophobicContact CG-SD 4.23Å; Q1480-M1482 PolarHBondContact O-N 2.75Å; M1482-T1661 PolarHBondContact N-O 3.39Å; M1482-K1663 HydrophobicContact CG-CB 3.92Å; M1482-K1663 HydrophobicContact SD-CB 4.2Å; M1482-W1678 HydrophobicContact CE-CH2 4.46Å; M1482-W1678 HydrophobicContact CG-CZ3 3.88Å |
| 1483 | Q | 62.3 | Low | 60.5 | Low | 84 Ų | 84 | 50.1 Ų | 50.1 | 39% | 0.393 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.9 | 149.4 | -175.5 | -161.5 | -176.9 | 0.5 | 0 | 0 | 111.7 | I1660 T1661 | Q1483-I1660 CarbonylContact O-C 3.57Å; Q1483-I1660 WeakPolarHBondContact O-CA 3.27Å; Q1483-T1661 WeakPolarHBondContact CB-OG1 3.1Å; Q1483-T1661 PolarHBondContact N-O 2.95Å; Q1483-T1661 PolarHBondContact N-OG1 3.49Å; Q1483-T1661 VanDerWaalsContact N-OG1 3.15Å; Q1483-T1661 PolarHBondContact O-N 2.77Å |
| 1484 | I | 62.2 | Low | 61.4 | Low | 29 Ų | 29 | 54.1 Ų | 54.1 | 15% | 0.149 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 128 | 170.1 | -55.2 | -179.8 | 0 | 0 | 0 | 108.7 | I1481 L1517 F1519 L1658 L1659 I1660 | I1481-I1484 HydrophobicContact CG2-CD1 4.11Å; I1481-I1484 HydrophobicContact CG2-CG1 3.91Å; I1484-L1517 HydrophobicContact CD1-CD1 3.52Å; I1484-F1519 HydrophobicContact CD1-CE1 4.23Å; I1484-F1519 HydrophobicContact CD1-CZ 3.59Å; I1484-F1519 HydrophobicContact CG2-CE1 4.32Å; I1484-F1519 HydrophobicContact CG2-CZ 4.2Å; I1484-L1658 HydrophobicContact CG2-CD2 4.03Å; I1484-L1659 CarbonylContact C-O 3.51Å; I1484-L1659 VanDerWaalsContact CA-O 3.28Å; I1484-L1659 WeakPolarHBondContact CA-O 3.29Å; I1484-I1660 HydrophobicContact CG1-CG1 4.17Å; I1484-I1660 HydrophobicContact CG1-CG2 4.26Å; I1484-I1660 HydrophobicContact CG2-CG1 4.23Å |
| 1485 | A | 61.7 | Low | 62.3 | Low | 11 Ų | 11 | 49.4 Ų | 49.4 | 9% | 0.091 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 145.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L1658 L1659 | A1485-L1658 CarbonylContact O-C 3.57Å; A1485-L1658 WeakPolarHBondContact O-CA 3.36Å; A1485-L1659 HydrophobicContact CB-CB 4.35Å; A1485-L1659 PolarHBondContact N-O 3.09Å; A1485-L1659 PolarHBondContact O-N 3.17Å |
| 1486 | C | 64 | Low | 63.1 | Low | 10 Ų | 10 | 50 Ų | 50 | 7% | 0.068 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 130.6 | 170.4 | -174.9 | 0 | 0 | 0 | 0 | 109.6 | S1488 W1491 I1493 V1562 N1657 | C1486-S1488 PolarHBondContact SG-N 3.19Å; C1486-S1488 VanDerWaalsContact SG-N 3.43Å; C1486-W1491 PolarHBondContact SG-O 3.25Å; C1486-I1493 HydrophobicContact CB-CB 4.2Å; C1486-I1493 HydrophobicContact CB-CD1 3.6Å; C1486-I1493 HydrophobicContact CB-CG1 3.88Å; C1486-I1493 WeakPolarHBondContact SG-CD1 2.99Å; C1486-V1562 HydrophobicContact CB-CG1 4.38Å; C1486-N1657 WeakPolarHBondContact CA-O 3.14Å |
| 1487 | I | 53.2 | Low | 63.1 | Low | 28 Ų | 28 | 54.8 Ų | 54.8 | 14% | 0.144 | 26% | 0.257 | C | S | . | . | trans | -102 | -9.3 | 177.6 | -41.5 | 160.9 | 0 | 0 | 0 | 111.1 | F1630 I1635 N1657 L1659 H1682 | I1487-F1630 HydrophobicContact CG1-CE1 4.03Å; I1487-F1630 HydrophobicContact CG1-CZ 4.19Å; I1487-F1630 HydrophobicContact CG2-CE1 3.95Å; I1487-I1635 HydrophobicContact CD1-CD1 4.13Å; I1487-I1635 HydrophobicContact CG2-CD1 4.23Å; I1487-N1657 HydrophobicContact CB-CB 4.06Å; I1487-N1657 HydrophobicContact CD1-CB 4.2Å; I1487-N1657 HydrophobicContact CG1-CB 4.47Å; I1487-N1657 PolarHBondContact N-O 3.43Å; I1487-L1659 HydrophobicContact CD1-CB 4.03Å; I1487-L1659 HydrophobicContact CG1-CB 4.31Å; I1487-H1682 WeakPolarHBondContact CD1-NE2 3.49Å | ||
| 1488 | S | 57.7 | Low | 62.3 | Low | 18 Ų | 18 | 57 Ų | 57 | 13% | 0.126 | 27% | 0.274 | C | S | . | . | trans | -72.8 | 133.3 | -178.4 | -168.2 | 0 | 0 | 0 | 0 | 111.6 | C1486 Y1490 D1655 | C1486-S1488 PolarHBondContact SG-N 3.19Å; C1486-S1488 VanDerWaalsContact SG-N 3.43Å; S1488-Y1490 VanDerWaalsContact C-N 3.29Å; S1488-Y1490 PolarHBondContact O-N 2.89Å; S1488-D1655 WeakPolarHBondContact CB-O 2.99Å; S1488-D1655 PolarHBondContact OG-O 3.47Å | ||
| 1489 | R | 49 | Very low | 61.1 | Low | 116 Ų | 116 | 61.8 Ų | 61.8 | 44% | 0.438 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -74.8 | -17.7 | 178.2 | -67.7 | -178.1 | 179.1 | 157.7 | -7.2 | 113.8 | I1524 W1637 | R1489-I1524 WeakPolarHBondContact O-CD1 3.26Å; R1489-W1637 VanDerWaalsContact NE-CZ3 3.28Å |
| 1490 | Y | 59 | Low | 60 | Low | 157 Ų | 157 | 67 Ų | 67 | 62% | 0.616 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -103.9 | -12 | -171 | -53 | -67.2 | 0 | 0 | 0 | 112.9 | S1488 P1523 I1524 | S1488-Y1490 VanDerWaalsContact C-N 3.29Å; S1488-Y1490 PolarHBondContact O-N 2.89Å; Y1490-P1523 WeakPolarHBondContact O-CA 3.18Å; Y1490-I1524 PolarHBondContact O-N 3.12Å |
| 1491 | W | 70.2 | Confident | 58.7 | Low | 43 Ų | 43 | 69.9 Ų | 69.9 | 16% | 0.163 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 123.4 | -169 | -66.6 | 93.5 | 0 | 0 | 0 | 112.2 | L1461 C1486 A1521 P1523 L1654 I1656 | L1461-W1491 HydrophobicContact CB-CZ3 4.42Å; L1461-W1491 HydrophobicContact CD1-CE3 4.05Å; L1461-W1491 HydrophobicContact CD1-CH2 3.33Å; L1461-W1491 HydrophobicContact CD1-CZ2 4.07Å; L1461-W1491 HydrophobicContact CD1-CZ3 3.3Å; L1461-W1491 HydrophobicContact CG-CH2 3.96Å; L1461-W1491 HydrophobicContact CG-CZ3 3.7Å; C1486-W1491 PolarHBondContact SG-O 3.25Å; W1491-A1521 HydrophobicContact CE3-CB 3.93Å; W1491-P1523 HydrophobicContact CE3-CB 4.4Å; W1491-P1523 HydrophobicContact CH2-CB 4.23Å; W1491-P1523 HydrophobicContact CH2-CG 4.37Å; W1491-P1523 HydrophobicContact CZ3-CB 4.1Å; W1491-P1523 HydrophobicContact CZ3-CG 4.17Å; W1491-L1654 HydrophobicContact CD2-CD1 4.24Å; W1491-L1654 VanDerWaalsContact CE2-CD1 3.46Å; W1491-L1654 HydrophobicContact CH2-CD1 3.56Å; W1491-L1654 HydrophobicContact CZ2-CD1 3.11Å; W1491-L1654 HydrophobicContact CZ2-CG 4.42Å; W1491-L1654 HydrophobicContact CZ3-CD1 4.28Å; W1491-I1656 HydrophobicContact CB-CD1 4.05Å; W1491-I1656 HydrophobicContact CB-CG1 3.91Å; W1491-I1656 HydrophobicContact CD2-CD1 3.77Å; W1491-I1656 HydrophobicContact CD2-CG1 4.08Å; W1491-I1656 HydrophobicContact CE3-CD1 4.12Å; W1491-I1656 HydrophobicContact CG-CD1 3.71Å; W1491-I1656 HydrophobicContact CG-CG1 3.56Å |
| 1492 | S | 67.6 | Low | 57.4 | Low | 10 Ų | 10 | 74.6 Ų | 74.6 | 7% | 0.07 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 107.1 | 173.5 | 156.4 | 0 | 0 | 0 | 0 | 110 | A1521 S1522 H1564 | S1492-A1521 CarbonylContact O-C 3.5Å; S1492-A1521 VanDerWaalsContact O-CA 3.25Å; S1492-A1521 WeakPolarHBondContact O-CA 3.39Å; S1492-S1522 WeakPolarHBondContact CA-O 3.02Å; S1492-S1522 VanDerWaalsContact CB-O 3.23Å; S1492-S1522 WeakPolarHBondContact CB-O 2.87Å; S1492-S1522 WeakPolarHBondContact CB-OG 3.44Å; S1492-S1522 PolarHBondContact N-O 3.38Å; S1492-S1522 PolarHBondContact O-N 3.42Å; S1492-S1522 PolarHBondContact O-OG 2.8Å; S1492-S1522 PolarHBondContact OG-OG 2.81Å; S1492-H1564 WeakPolarHBondContact CA-CE1 3.22Å; S1492-H1564 WeakPolarHBondContact CA-NE2 3.47Å; S1492-H1564 WeakPolarHBondContact CB-CE1 3.3Å; S1492-H1564 WeakPolarHBondContact CB-NE2 3.04Å; S1492-H1564 PolarHBondContact OG-NE2 3.44Å |
| 1493 | I | 70.5 | Confident | 56.2 | Low | 3 Ų | 3 | 76 Ų | 76 | 2% | 0.015 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 133.1 | -179.1 | -54.9 | -175.8 | 0 | 0 | 0 | 110.4 | I1463 C1486 F1519 K1520 A1521 V1562 I1656 L1658 | I1463-I1493 HydrophobicContact CD1-CD1 4.12Å; C1486-I1493 HydrophobicContact CB-CB 4.2Å; C1486-I1493 HydrophobicContact CB-CD1 3.6Å; C1486-I1493 HydrophobicContact CB-CG1 3.88Å; C1486-I1493 WeakPolarHBondContact SG-CD1 2.99Å; I1493-F1519 HydrophobicContact CG2-CB 3.48Å; I1493-F1519 VanDerWaalsContact CG2-CB 3.48Å; I1493-F1519 HydrophobicContact CG2-CD1 3.8Å; I1493-F1519 HydrophobicContact CG2-CG 3.85Å; I1493-K1520 CarbonylContact C-O 3.58Å; I1493-K1520 WeakPolarHBondContact CA-O 3.13Å; I1493-A1521 HydrophobicContact CG1-CB 4.1Å; I1493-V1562 HydrophobicContact CB-CG1 4.34Å; I1493-V1562 VanDerWaalsContact O-CB 3.31Å; I1493-V1562 WeakPolarHBondContact O-CB 3.3Å; I1493-V1562 WeakPolarHBondContact O-CG1 3.14Å; I1493-V1562 WeakPolarHBondContact O-CG2 3.39Å; I1493-I1656 HydrophobicContact CD1-CG2 3.43Å; I1493-I1656 VanDerWaalsContact CD1-CG2 3.43Å; I1493-I1656 HydrophobicContact CG1-CG2 4.48Å; I1493-L1658 HydrophobicContact CD1-CD2 3.45Å; I1493-L1658 VanDerWaalsContact CD1-CD2 3.45Å; I1493-L1658 HydrophobicContact CD1-CG 4.2Å |
| 1494 | K | 69.6 | Low | 55.2 | Low | 128 Ų | 128 | 78.9 Ų | 78.9 | 56% | 0.557 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 130.8 | 173.3 | -65.1 | -177.2 | 179.7 | 178.1 | 0 | 109.1 | I1496 F1519 K1520 | K1494-I1496 PolarHBondContact O-N 3.18Å; K1494-F1519 CarbonylContact O-C 3.53Å; K1494-F1519 VanDerWaalsContact O-CA 3.31Å; K1494-F1519 WeakPolarHBondContact O-CA 3.48Å; K1494-K1520 PolarHBondContact N-O 2.68Å; K1494-K1520 PolarHBondContact O-N 2.82Å |
| 1495 | P | 68 | Low | 54.5 | Low | 50 Ų | 50 | 81.9 Ų | 81.9 | 33% | 0.325 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 137.9 | 173.4 | 25.8 | -32.6 | 0 | 0 | 0 | 110.6 | F1519 I1560 | P1495-F1519 HydrophobicContact CB-CD1 3.97Å; P1495-F1519 HydrophobicContact CB-CE1 4.11Å; P1495-I1560 HydrophobicContact CG-CB 4.3Å; P1495-I1560 HydrophobicContact CG-CD1 4.16Å; P1495-I1560 HydrophobicContact CG-CG2 4.31Å |
| 1496 | I | 65.1 | Low | 54.1 | Low | 65 Ų | 65 | 84.2 Ų | 84.2 | 33% | 0.333 | 43% | 0.427 | S | S | . | . | trans | -88.3 | 124.8 | 174.3 | -58.1 | -173.4 | 0 | 0 | 0 | 108.3 | L1453 L1462 K1494 S1498 Y1518 K1520 | L1453-I1496 HydrophobicContact CD1-CD1 4.38Å; L1462-I1496 HydrophobicContact CD1-CD1 3.22Å; L1462-I1496 HydrophobicContact CD1-CG1 4.33Å; K1494-I1496 PolarHBondContact O-N 3.18Å; I1496-S1498 PolarHBondContact O-N 3.21Å; I1496-Y1518 PolarHBondContact N-O 2.93Å; I1496-K1520 HydrophobicContact CD1-CB 3.75Å; I1496-K1520 HydrophobicContact CG1-CB 3.66Å | ||
| 1497 | Q | 55.4 | Low | 53.9 | Low | 180 Ų | 180 | 85.9 Ų | 85.9 | 84% | 0.841 | 44% | 0.437 | S | S | * | . | trans | -61.7 | 112.6 | 179.9 | -74.7 | 176.4 | -26.7 | 0 | 0 | 111.1 | ||||
| 1498 | S | 43.9 | Very low | 54.7 | Low | 61 Ų | 61 | 87.1 Ų | 87.1 | 43% | 0.427 | 45% | 0.448 | S | S | . | . | trans | -84.5 | 126.4 | 150.6 | 179.9 | 0 | 0 | 0 | 0 | 107 | I1496 T1500 W1501 | I1496-S1498 PolarHBondContact O-N 3.21Å; S1498-T1500 PolarHBondContact O-N 2.87Å; S1498-W1501 PolarHBondContact O-N 3.06Å | ||
| 1499 | T | 41.6 | Very low | 55.2 | Low | 141 Ų | 141 | 86.2 Ų | 86.2 | 87% | 0.865 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | 21 | -163.6 | 42.2 | 0 | 0 | 0 | 0 | 116.5 | ||
| 1500 | T | 42.2 | Very low | 56.3 | Low | 113 Ų | 113 | 84.7 Ų | 84.7 | 69% | 0.693 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -129.6 | 3.9 | 179.9 | 50.3 | 0 | 0 | 0 | 0 | 114.9 | S1498 N1502 | S1498-T1500 PolarHBondContact O-N 2.87Å; T1500-N1502 PolarHBondContact O-N 3.24Å |
| 1501 | W | 38.9 | Very low | 56.6 | Low | 133 Ų | 133 | 79.7 Ų | 79.7 | 50% | 0.504 | 43% | 0.426 | S | S | . | . | trans | -94.7 | 101.5 | -179 | -66 | -18.8 | 0 | 0 | 0 | 112.3 | S1498 L1517 | S1498-W1501 PolarHBondContact O-N 3.06Å; W1501-L1517 HydrophobicContact CH2-CD2 4Å; W1501-L1517 HydrophobicContact CZ3-CD2 4.17Å | ||
| 1502 | N | 39.6 | Very low | 56.5 | Low | 111 Ų | 111 | 80 Ų | 80 | 59% | 0.594 | 44% | 0.442 | S | S | * | . | trans | -66.5 | 129.6 | 164.1 | -156 | 0.8 | 0 | 0 | 0 | 108.2 | T1500 D1504 T1505 | T1500-N1502 PolarHBondContact O-N 3.24Å; N1502-D1504 PolarHBondContact O-N 2.78Å; N1502-D1504 VanDerWaalsContact O-N 3.07Å; N1502-T1505 PolarHBondContact O-N 3.49Å; N1502-T1505 PolarHBondContact O-OG1 2.72Å | ||
| 1503 | I | 39 | Very low | 56.7 | Low | 106 Ų | 106 | 83 Ų | 83 | 54% | 0.544 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -22.2 | -169.6 | -67.5 | 161.1 | 0 | 0 | 0 | 112 | ||
| 1504 | D | 41.6 | Very low | 56.8 | Low | 143 Ų | 143 | 86.9 Ų | 86.9 | 77% | 0.765 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -14 | 178.3 | -64 | -30 | 0 | 0 | 0 | 113.7 | N1502 | N1502-D1504 PolarHBondContact O-N 2.78Å; N1502-D1504 VanDerWaalsContact O-N 3.07Å |
| 1505 | T | 45.7 | Very low | 56.9 | Low | 93 Ų | 93 | 81.7 Ų | 81.7 | 57% | 0.571 | 45% | 0.453 | S | S | * | . | trans | -104.1 | 83.6 | 179.3 | 54.4 | 0 | 0 | 0 | 0 | 110.4 | N1502 | N1502-T1505 PolarHBondContact O-N 3.49Å; N1502-T1505 PolarHBondContact O-OG1 2.72Å | ||
| 1506 | I | 54.7 | Low | 57.2 | Low | 60 Ų | 60 | 81 Ų | 81 | 31% | 0.308 | 45% | 0.448 | S | S | . | . | P | Polyproline II helix | trans | -61.7 | 133.8 | 169.4 | -66 | 168.1 | 0 | 0 | 0 | 108.9 | Q1480 I1481 S1508 | Q1480-I1506 HydrophobicContact CG-CB 4Å; Q1480-I1506 HydrophobicContact CG-CG2 3.45Å; Q1480-I1506 VanDerWaalsContact CG-CG2 3.45Å; I1481-I1506 HydrophobicContact CB-CG2 4.32Å; I1481-I1506 WeakPolarHBondContact O-CG2 3.27Å; I1506-S1508 PolarHBondContact O-N 3.17Å |
| 1507 | P | 60 | Low | 57.8 | Low | 44 Ų | 44 | 78.5 Ų | 78.5 | 29% | 0.286 | 44% | 0.435 | S | S | . | . | P | Polyproline II helix | trans | -64.8 | 122.4 | -179.7 | 24.2 | -32 | 0 | 0 | 0 | 111.4 | I1515 | P1507-I1515 HydrophobicContact CB-CD1 3.68Å; P1507-I1515 HydrophobicContact CB-CG2 4.49Å |
| 1508 | S | 68.5 | Low | 58.9 | Low | 54 Ų | 54 | 75.2 Ų | 75.2 | 38% | 0.378 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 127 | 163.6 | 53.3 | 0 | 0 | 0 | 0 | 109.1 | F1479 I1506 | F1479-S1508 CarbonylContact O-C 3.5Å; F1479-S1508 VanDerWaalsContact O-CA 3.32Å; F1479-S1508 WeakPolarHBondContact O-CA 3.39Å; I1506-S1508 PolarHBondContact O-N 3.17Å |
| 1509 | I | 68.8 | Low | 60.7 | Low | 0 Ų | 0 | 72.9 Ų | 72.9 | 0% | 0 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 112.2 | 175 | -51 | 161.8 | 0 | 0 | 0 | 107.9 | L1444 I1467 N1469 F1479 I1481 E1513 I1515 | L1444-I1509 HydrophobicContact CD1-CD1 4.47Å; L1444-I1509 HydrophobicContact CD2-CD1 4.22Å; I1467-I1509 HydrophobicContact CB-CD1 4.13Å; I1467-I1509 HydrophobicContact CG2-CD1 3.55Å; N1469-I1509 HydrophobicContact CB-CG2 3.61Å; F1479-I1509 HydrophobicContact CB-CB 4.4Å; F1479-I1509 PolarHBondContact N-O 2.82Å; F1479-I1509 PolarHBondContact O-N 2.78Å; I1481-I1509 HydrophobicContact CD1-CD1 4.15Å; I1481-I1509 HydrophobicContact CG1-CD1 4.22Å; I1509-E1513 HydrophobicContact CG2-CB 4.04Å; I1509-I1515 HydrophobicContact CB-CD1 4.19Å; I1509-I1515 HydrophobicContact CG1-CB 4.36Å; I1509-I1515 HydrophobicContact CG1-CD1 3.44Å; I1509-I1515 VanDerWaalsContact CG1-CD1 3.44Å; I1509-I1515 HydrophobicContact CG1-CG1 3.88Å; I1509-I1515 HydrophobicContact CG2-CG1 4.42Å |
| 1510 | H | 72 | Confident | 62.4 | Low | 83 Ų | 83 | 69.1 Ų | 69.1 | 38% | 0.384 | 37% | 0.37 | S | S | . | . | trans | -77.2 | 167.8 | 173 | -65.8 | -70.5 | 0 | 0 | 0 | 111.9 | N1469 N1478 G1512 E1513 | N1469-H1510 WeakPolarHBondContact CB-O 3.5Å; N1469-H1510 PolarHBondContact ND2-O 2.77Å; N1469-H1510 VanDerWaalsContact ND2-O 3.09Å; N1478-H1510 VanDerWaalsContact CG-CE1 3.48Å; N1478-H1510 VanDerWaalsContact CG-ND1 3.32Å; N1478-H1510 PolarHBondContact ND2-CE1 2.75Å; N1478-H1510 PolarHBondContact OD1-CE1 2.79Å; N1478-H1510 VanDerWaalsContact OD1-CE1 3.28Å; N1478-H1510 PolarHBondContact OD1-ND1 2.95Å; H1510-G1512 PolarHBondContact O-N 2.8Å; H1510-E1513 HydrophobicContact CB-CB 4.29Å; H1510-E1513 WeakPolarHBondContact CB-OE2 3.23Å; H1510-E1513 IonicContact CD2-OE2 3.5Å; H1510-E1513 PolarHBondContact CD2-OE2 2.73Å; H1510-E1513 VanDerWaalsContact CD2-OE2 3.31Å; H1510-E1513 IonicContact CG-OE2 3.73Å; H1510-E1513 PolarHBondContact N-OE2 2.79Å; H1510-E1513 VanDerWaalsContact O-CB 3.27Å; H1510-E1513 WeakPolarHBondContact O-CB 3.23Å; H1510-E1513 PolarHBondContact O-N 2.74Å | ||
| 1511 | V | 66 | Low | 64.1 | Low | 53 Ų | 53 | 63.7 Ų | 63.7 | 32% | 0.321 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | 125.3 | 177.8 | 171.7 | 0 | 0 | 0 | 0 | 110.8 | N1469 V1471 M1477 E1513 | N1469-V1511 WeakPolarHBondContact ND2-CA 3.42Å; N1469-V1511 PolarHBondContact ND2-N 3.45Å; V1471-V1511 WeakPolarHBondContact O-CG1 3.17Å; M1477-V1511 HydrophobicContact CB-CG2 4.44Å; V1511-E1513 PolarHBondContact O-N 3.37Å |
| 1512 | G | 67.1 | Low | 65.6 | Low | 49 Ų | 49 | 58.6 Ų | 58.6 | 51% | 0.505 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.9 | -7.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | N1469 H1510 | N1469-G1512 WeakPolarHBondContact O-CA 3.07Å; N1469-G1512 PolarHBondContact O-N 2.81Å; H1510-G1512 PolarHBondContact O-N 2.8Å |
| 1513 | E | 72.7 | Confident | 66.9 | Low | 73 Ų | 73 | 55.1 Ų | 55.1 | 34% | 0.341 | 31% | 0.305 | S | S | . | . | trans | -72.5 | 143.5 | 178 | -164.2 | 177.4 | -179.9 | 0 | 0 | 111.2 | N1469 I1509 H1510 V1511 I1515 | N1469-E1513 PolarHBondContact N-O 2.91Å; N1469-E1513 VanDerWaalsContact N-O 3.09Å; I1509-E1513 HydrophobicContact CG2-CB 4.04Å; H1510-E1513 HydrophobicContact CB-CB 4.29Å; H1510-E1513 WeakPolarHBondContact CB-OE2 3.23Å; H1510-E1513 IonicContact CD2-OE2 3.5Å; H1510-E1513 PolarHBondContact CD2-OE2 2.73Å; H1510-E1513 VanDerWaalsContact CD2-OE2 3.31Å; H1510-E1513 IonicContact CG-OE2 3.73Å; H1510-E1513 PolarHBondContact N-OE2 2.79Å; H1510-E1513 VanDerWaalsContact O-CB 3.27Å; H1510-E1513 WeakPolarHBondContact O-CB 3.23Å; H1510-E1513 PolarHBondContact O-N 2.74Å; V1511-E1513 PolarHBondContact O-N 3.37Å; E1513-I1515 HydrophobicContact CG-CG1 4.35Å | ||
| 1514 | I | 71.9 | Confident | 67.8 | Low | 85 Ų | 85 | 52.7 Ų | 52.7 | 44% | 0.436 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 117.7 | 175.6 | -58.3 | 172.1 | 0 | 0 | 0 | 107.4 | Q1466 I1467 K1468 | Q1466-I1514 HydrophobicContact CB-CG2 4.39Å; Q1466-I1514 HydrophobicContact CG-CG2 4.26Å; I1467-I1514 WeakPolarHBondContact O-CA 3.24Å; K1468-I1514 HydrophobicContact CB-CG1 3.96Å; K1468-I1514 HydrophobicContact CD-CD1 4.03Å; K1468-I1514 HydrophobicContact CD-CG1 4.06Å; K1468-I1514 HydrophobicContact CG-CD1 4.28Å; K1468-I1514 HydrophobicContact CG-CG1 3.73Å |
| 1515 | I | 72.5 | Confident | 68.2 | Low | 19 Ų | 19 | 52.9 Ų | 52.9 | 10% | 0.097 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 130.5 | 174.3 | -59.2 | -166.6 | 0 | 0 | 0 | 108.6 | Q1466 I1467 P1507 I1509 E1513 L1517 | Q1466-I1515 CarbonylContact C-O 3.44Å; Q1466-I1515 WeakPolarHBondContact CA-O 3.24Å; I1467-I1515 PolarHBondContact N-O 2.7Å; I1467-I1515 PolarHBondContact O-N 3.03Å; P1507-I1515 HydrophobicContact CB-CD1 3.68Å; P1507-I1515 HydrophobicContact CB-CG2 4.49Å; I1509-I1515 HydrophobicContact CB-CD1 4.19Å; I1509-I1515 HydrophobicContact CG1-CB 4.36Å; I1509-I1515 HydrophobicContact CG1-CD1 3.44Å; I1509-I1515 VanDerWaalsContact CG1-CD1 3.44Å; I1509-I1515 HydrophobicContact CG1-CG1 3.88Å; I1509-I1515 HydrophobicContact CG2-CG1 4.42Å; E1513-I1515 HydrophobicContact CG-CG1 4.35Å; I1515-L1517 HydrophobicContact CG2-CD2 4.11Å; I1515-L1517 HydrophobicContact CG2-CG 4.45Å |
| 1516 | T | 74.3 | Confident | 68 | Low | 34 Ų | 34 | 54.9 Ų | 54.9 | 21% | 0.209 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 122 | 175.3 | -48.3 | 0 | 0 | 0 | 0 | 109.5 | V1465 Q1466 Y1518 | V1465-T1516 CarbonylContact O-C 3.52Å; V1465-T1516 WeakPolarHBondContact O-CA 3.35Å; Q1466-T1516 HydrophobicContact CG-CG2 3.85Å; Q1466-T1516 VanDerWaalsContact CG-OG1 3.31Å; Q1466-T1516 WeakPolarHBondContact CG-OG1 3.31Å; T1516-Y1518 HydrophobicContact CG2-CE1 4.17Å; T1516-Y1518 HydrophobicContact CG2-CE2 3.91Å |
| 1517 | L | 77.8 | Confident | 66.9 | Low | 14 Ų | 14 | 58.6 Ų | 58.6 | 7% | 0.073 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 129.3 | 176.1 | -60.3 | 178.2 | 0 | 0 | 0 | 109.6 | S1464 V1465 I1467 I1481 I1484 W1501 I1515 F1519 | S1464-L1517 CarbonylContact C-O 3.55Å; S1464-L1517 WeakPolarHBondContact CA-O 3.23Å; V1465-L1517 HydrophobicContact CB-CB 4.45Å; V1465-L1517 PolarHBondContact N-O 3.42Å; V1465-L1517 PolarHBondContact O-N 3Å; I1467-L1517 HydrophobicContact CD1-CD1 3.7Å; I1467-L1517 HydrophobicContact CD1-CG 4.36Å; I1481-L1517 HydrophobicContact CD1-CD1 3.92Å; I1484-L1517 HydrophobicContact CD1-CD1 3.52Å; W1501-L1517 HydrophobicContact CH2-CD2 4Å; W1501-L1517 HydrophobicContact CZ3-CD2 4.17Å; I1515-L1517 HydrophobicContact CG2-CD2 4.11Å; I1515-L1517 HydrophobicContact CG2-CG 4.45Å; L1517-F1519 HydrophobicContact CB-CD2 4.45Å; L1517-F1519 HydrophobicContact CB-CE2 3.52Å; L1517-F1519 HydrophobicContact CB-CZ 3.8Å; L1517-F1519 HydrophobicContact CD1-CE2 4.41Å; L1517-F1519 HydrophobicContact CD1-CZ 4.08Å |
| 1518 | Y | 78.6 | Confident | 65.5 | Low | 111 Ų | 111 | 64.1 Ų | 64.1 | 44% | 0.435 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 130.6 | 178.2 | -63.4 | -84.5 | 0 | 0 | 0 | 110.6 | L1462 I1463 I1496 T1516 | L1462-Y1518 HydrophobicContact CD1-CD1 4.18Å; L1462-Y1518 HydrophobicContact CD2-CD1 4.45Å; L1462-Y1518 HydrophobicContact CG-CD1 4.41Å; I1463-Y1518 CarbonylContact O-C 3.58Å; I1463-Y1518 WeakPolarHBondContact O-CA 3.35Å; I1496-Y1518 PolarHBondContact N-O 2.93Å; T1516-Y1518 HydrophobicContact CG2-CE1 4.17Å; T1516-Y1518 HydrophobicContact CG2-CE2 3.91Å |
| 1519 | F | 80.1 | Confident | 63.6 | Low | 11 Ų | 11 | 68.6 Ų | 68.6 | 5% | 0.048 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 142.2 | 175.7 | -51.6 | -92.9 | 0 | 0 | 0 | 110.5 | L1462 I1463 V1465 I1484 I1493 K1494 P1495 L1517 | L1462-F1519 CarbonylContact C-O 3.51Å; L1462-F1519 WeakPolarHBondContact CA-O 3.32Å; I1463-F1519 HydrophobicContact CB-CB 4.27Å; I1463-F1519 PolarHBondContact N-O 2.86Å; I1463-F1519 PolarHBondContact O-N 3.42Å; V1465-F1519 HydrophobicContact CB-CE2 4.12Å; V1465-F1519 HydrophobicContact CG2-CD2 3.84Å; V1465-F1519 HydrophobicContact CG2-CE2 3.63Å; I1484-F1519 HydrophobicContact CD1-CE1 4.23Å; I1484-F1519 HydrophobicContact CD1-CZ 3.59Å; I1484-F1519 HydrophobicContact CG2-CE1 4.32Å; I1484-F1519 HydrophobicContact CG2-CZ 4.2Å; I1493-F1519 HydrophobicContact CG2-CB 3.48Å; I1493-F1519 VanDerWaalsContact CG2-CB 3.48Å; I1493-F1519 HydrophobicContact CG2-CD1 3.8Å; I1493-F1519 HydrophobicContact CG2-CG 3.85Å; K1494-F1519 CarbonylContact O-C 3.53Å; K1494-F1519 VanDerWaalsContact O-CA 3.31Å; K1494-F1519 WeakPolarHBondContact O-CA 3.48Å; P1495-F1519 HydrophobicContact CB-CD1 3.97Å; P1495-F1519 HydrophobicContact CB-CE1 4.11Å; L1517-F1519 HydrophobicContact CB-CD2 4.45Å; L1517-F1519 HydrophobicContact CB-CE2 3.52Å; L1517-F1519 HydrophobicContact CB-CZ 3.8Å; L1517-F1519 HydrophobicContact CD1-CE2 4.41Å; L1517-F1519 HydrophobicContact CD1-CZ 4.08Å |
| 1520 | K | 78.7 | Confident | 61.4 | Low | 62 Ų | 62 | 78.9 Ų | 78.9 | 27% | 0.27 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 114.4 | 166.5 | -174.2 | 172.5 | 177.5 | 173.3 | 0 | 108.3 | L1453 D1460 L1461 I1493 K1494 I1496 | L1453-K1520 HydrophobicContact CD1-CG 4.27Å; D1460-K1520 WeakPolarHBondContact OD2-CE 3.26Å; D1460-K1520 IonicContact OD2-NZ 2.67Å; D1460-K1520 PolarHBondContact OD2-NZ 2.77Å; L1461-K1520 CarbonylContact O-C 3.38Å; L1461-K1520 VanDerWaalsContact O-CA 3.28Å; L1461-K1520 WeakPolarHBondContact O-CA 3.36Å; I1493-K1520 CarbonylContact C-O 3.58Å; I1493-K1520 WeakPolarHBondContact CA-O 3.13Å; K1494-K1520 PolarHBondContact N-O 2.68Å; K1494-K1520 PolarHBondContact O-N 2.82Å; I1496-K1520 HydrophobicContact CD1-CB 3.75Å; I1496-K1520 HydrophobicContact CG1-CB 3.66Å |
| 1521 | A | 77.4 | Confident | 59.2 | Low | 0 Ų | 0 | 81.9 Ų | 81.9 | 0% | 0 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 109 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | L1461 I1463 W1491 S1492 I1493 I1656 | L1461-A1521 HydrophobicContact CB-CB 4.2Å; L1461-A1521 PolarHBondContact N-O 3.22Å; L1461-A1521 PolarHBondContact O-N 2.78Å; I1463-A1521 HydrophobicContact CD1-CB 3.55Å; I1463-A1521 HydrophobicContact CG1-CB 4.04Å; W1491-A1521 HydrophobicContact CE3-CB 3.93Å; S1492-A1521 CarbonylContact O-C 3.5Å; S1492-A1521 VanDerWaalsContact O-CA 3.25Å; S1492-A1521 WeakPolarHBondContact O-CA 3.39Å; I1493-A1521 HydrophobicContact CG1-CB 4.1Å; A1521-I1656 HydrophobicContact CB-CD1 3.85Å |
| 1522 | S | 70.7 | Confident | 57.1 | Low | 26 Ų | 26 | 88 Ų | 88 | 18% | 0.182 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 136.8 | 173.4 | 58.6 | 0 | 0 | 0 | 0 | 109.4 | D1460 S1492 I1524 | D1460-S1522 VanDerWaalsContact OD1-CA 3.24Å; D1460-S1522 WeakPolarHBondContact OD1-CA 3.38Å; D1460-S1522 WeakPolarHBondContact OD1-CB 3.44Å; S1492-S1522 WeakPolarHBondContact CA-O 3.02Å; S1492-S1522 VanDerWaalsContact CB-O 3.23Å; S1492-S1522 WeakPolarHBondContact CB-O 2.87Å; S1492-S1522 WeakPolarHBondContact CB-OG 3.44Å; S1492-S1522 PolarHBondContact N-O 3.38Å; S1492-S1522 PolarHBondContact O-N 3.42Å; S1492-S1522 PolarHBondContact O-OG 2.8Å; S1492-S1522 PolarHBondContact OG-OG 2.81Å; S1522-I1524 PolarHBondContact O-N 2.76Å |
| 1523 | P | 65.8 | Low | 55.1 | Low | 38 Ų | 38 | 94.1 Ų | 94.1 | 25% | 0.247 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 137.7 | 172.2 | 21 | -23.2 | 0 | 0 | 0 | 109 | N1459 Y1490 W1491 K1525 | N1459-P1523 HydrophobicContact CB-CG 3.6Å; N1459-P1523 WeakPolarHBondContact O-CD 3.22Å; Y1490-P1523 WeakPolarHBondContact O-CA 3.18Å; W1491-P1523 HydrophobicContact CE3-CB 4.4Å; W1491-P1523 HydrophobicContact CH2-CB 4.23Å; W1491-P1523 HydrophobicContact CH2-CG 4.37Å; W1491-P1523 HydrophobicContact CZ3-CB 4.1Å; W1491-P1523 HydrophobicContact CZ3-CG 4.17Å; P1523-K1525 PolarHBondContact O-N 2.82Å |
| 1524 | I | 59.9 | Low | 52.7 | Low | 55 Ų | 55 | 98 Ų | 98 | 28% | 0.282 | 48% | 0.48 | S | S | . | . | trans | -72.4 | 101.6 | 173.1 | -54.7 | 176.3 | 0 | 0 | 0 | 106 | R1489 Y1490 S1522 N1526 | R1489-I1524 WeakPolarHBondContact O-CD1 3.26Å; Y1490-I1524 PolarHBondContact O-N 3.12Å; S1522-I1524 PolarHBondContact O-N 2.76Å; I1524-N1526 PolarHBondContact O-N 3.38Å | ||
| 1525 | K | 49.8 | Very low | 50.4 | Low | 146 Ų | 146 | 100.9 Ų | 100.9 | 64% | 0.635 | 49% | 0.492 | S | S | * | . | trans | -65.8 | 104.5 | 171.1 | -69.2 | -177.8 | -179 | 177.5 | 0 | 106.8 | P1523 N1527 | P1523-K1525 PolarHBondContact O-N 2.82Å; K1525-N1527 PolarHBondContact O-N 2.76Å | ||
| 1526 | N | 41.1 | Very low | 48.1 | Very low | 136 Ų | 136 | 108.6 Ų | 108.6 | 73% | 0.727 | 53% | 0.533 | S | S | * | . | trans | -66.1 | 91.3 | 165.1 | -76.4 | -6.4 | 0 | 0 | 0 | 106.3 | I1524 L1528 | I1524-N1526 PolarHBondContact O-N 3.38Å; N1526-L1528 VanDerWaalsContact C-N 3.33Å; N1526-L1528 PolarHBondContact O-N 2.83Å | ||
| 1527 | N | 32.2 | Very low | 45.6 | Very low | 138 Ų | 138 | 114.4 Ų | 114.4 | 74% | 0.738 | 56% | 0.558 | S | S | * | * | trans | -61.4 | 103.4 | 167.3 | -90.2 | 2.8 | 0 | 0 | 0 | 106.8 | K1525 D1529 | K1525-N1527 PolarHBondContact O-N 2.76Å; N1527-D1529 PolarHBondContact O-N 2.97Å | ||
| 1528 | L | 29.9 | Very low | 42.9 | Very low | 160 Ų | 160 | 122.7 Ų | 122.7 | 84% | 0.838 | 60% | 0.598 | S | S | * | * | trans | -92 | 36.8 | 170.1 | -120 | 163.2 | 0 | 0 | 0 | 109.1 | N1526 | N1526-L1528 VanDerWaalsContact C-N 3.33Å; N1526-L1528 PolarHBondContact O-N 2.83Å | ||
| 1529 | D | 27.7 | Very low | 40.2 | Very low | 147 Ų | 147 | 122.2 Ų | 122.2 | 79% | 0.786 | 61% | 0.612 | S | S | * | * | trans | -103.4 | 81 | 171.3 | -69.3 | -20.3 | 0 | 0 | 0 | 107.9 | N1527 | N1527-D1529 PolarHBondContact O-N 2.97Š| ||
| 1530 | Y | 22.4 | Very low | 37.5 | Very low | 216 Ų | 216 | 126.2 Ų | 126.2 | 85% | 0.847 | 64% | 0.641 | S | S | * | * | trans | -79.6 | 140.4 | 147.1 | -137.9 | -98.9 | 0 | 0 | 0 | 106.4 | ||||
| 1531 | I | 25.9 | Very low | 34.8 | Very low | 146 Ų | 146 | 131.2 Ų | 131.2 | 75% | 0.749 | 67% | 0.665 | S | S | * | * | trans | 85.2 | 95.6 | 168 | -42.1 | 168.9 | 0 | 0 | 0 | 115 | ||||
| 1532 | E | 23 | Very low | 32.1 | Very low | 183 Ų | 183 | 136.5 Ų | 136.5 | 86% | 0.855 | 70% | 0.697 | S | S | * | * | -172.6 | 77.1 | 124 | -100.9 | 172.3 | -164.4 | 0 | 0 | 107.3 | |||||
| 1533 | I | 24.3 | Very low | 29.8 | Very low | 177 Ų | 177 | 139.8 Ų | 139.8 | 91% | 0.908 | 72% | 0.72 | S | S | * | * | trans | -91.9 | 115.4 | 157.1 | -69.4 | 176.1 | 0 | 0 | 0 | 105.9 | ||||
| 1534 | E | 23.3 | Very low | 27.7 | Very low | 154 Ų | 154 | 145.6 Ų | 145.6 | 72% | 0.72 | 74% | 0.744 | S | S | * | * | trans | -56 | 150.7 | 177.1 | -65.6 | 166.5 | 135.6 | 0 | 0 | 113.1 | ||||
| 1535 | Q | 23 | Very low | 25.9 | Very low | 145 Ų | 145 | 151.3 Ų | 151.3 | 68% | 0.678 | 77% | 0.769 | S | S | * | * | trans | 53.2 | 88.3 | 136.9 | -64.5 | 173.5 | -2.5 | 0 | 0 | 117.3 | E1537 | Q1535-E1537 PolarHBondContact O-N 3.45Š| ||
| 1536 | N | 23.4 | Very low | 24.6 | Very low | 182 Ų | 182 | 147.5 Ų | 147.5 | 97% | 0.973 | 77% | 0.772 | S | S | * | * | trans | -62.9 | 90.1 | 134 | -86.8 | -27.3 | 0 | 0 | 0 | 108.5 | ||||
| 1537 | E | 23.1 | Very low | 23.6 | Very low | 155 Ų | 155 | 150.9 Ų | 150.9 | 72% | 0.724 | 78% | 0.776 | S | S | * | * | trans | -107 | 133.1 | 151.1 | -84.1 | -168.5 | 165.6 | 0 | 0 | 109.3 | Q1535 | Q1535-E1537 PolarHBondContact O-N 3.45Š| ||
| 1538 | M | 21.7 | Very low | 23.3 | Very low | 188 Ų | 188 | 150.4 Ų | 150.4 | 93% | 0.926 | 77% | 0.773 | S | S | * | * | trans | 64.8 | 124.4 | 161.4 | -78.9 | -172.9 | 167.1 | 0 | 0 | 121.2 | ||||
| 1539 | S | 21.9 | Very low | 23 | Very low | 102 Ų | 102 | 149.4 Ų | 149.4 | 71% | 0.713 | 77% | 0.769 | S | S | * | * | trans | -50.8 | 153.9 | 160.6 | 48.8 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1540 | S | 22.2 | Very low | 22.8 | Very low | 94 Ų | 94 | 147.2 Ų | 147.2 | 66% | 0.657 | 77% | 0.765 | S | S | * | * | trans | 77 | 108 | 144.7 | 56.6 | 0 | 0 | 0 | 0 | 120 | ||||
| 1541 | H | 21.5 | Very low | 22.9 | Very low | 167 Ų | 167 | 145.3 Ų | 145.3 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | 89.8 | 125.6 | 120.8 | -78.1 | -58.2 | 0 | 0 | 0 | 120.3 | |||||
| 1542 | T | 21.4 | Very low | 22.9 | Very low | 112 Ų | 112 | 144.9 Ų | 144.9 | 69% | 0.687 | 77% | 0.769 | S | S | * | * | trans | 71.7 | 99.7 | 135.5 | 53.9 | 0 | 0 | 0 | 0 | 116 | ||||
| 1543 | S | 21.6 | Very low | 23 | Very low | 95 Ų | 95 | 142.7 Ų | 142.7 | 66% | 0.664 | 76% | 0.763 | S | S | * | * | 93.8 | 156.6 | 77.9 | 62.8 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 1544 | E | 22.7 | Very low | 23 | Very low | 160 Ų | 160 | 142.2 Ų | 142.2 | 75% | 0.748 | 76% | 0.763 | S | S | * | * | trans | 89.1 | 111.1 | 171.1 | -57.3 | 174.6 | -174.5 | 0 | 0 | 113.6 | ||||
| 1545 | E | 22.1 | Very low | 23 | Very low | 174 Ų | 174 | 141.2 Ų | 141.2 | 81% | 0.813 | 77% | 0.767 | S | S | * | * | cis | 135.3 | 120 | 49.1 | -105.5 | 176.1 | -172.2 | 0 | 0 | 102.6 | ||||
| 1546 | G | 21.7 | Very low | 23 | Very low | 67 Ų | 67 | 137.7 Ų | 137.7 | 69% | 0.691 | 77% | 0.77 | S | S | * | * | 84.5 | 132.7 | 101.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 1547 | Y | 21.4 | Very low | 22.9 | Very low | 206 Ų | 206 | 137.3 Ų | 137.3 | 81% | 0.808 | 76% | 0.759 | S | S | * | * | cis | 176.1 | 151.7 | 25.3 | -124.2 | -73.3 | 0 | 0 | 0 | 106.6 | ||||
| 1548 | N | 24.1 | Very low | 22.8 | Very low | 128 Ų | 128 | 138.8 Ų | 138.8 | 68% | 0.684 | 76% | 0.763 | S | S | * | * | trans | 64.8 | 149.4 | 146.7 | -71.8 | -26.9 | 0 | 0 | 0 | 120 | ||||
| 1549 | N | 24.2 | Very low | 22.9 | Very low | 140 Ų | 140 | 139 Ų | 139 | 75% | 0.749 | 76% | 0.755 | S | S | * | * | cis | -178.5 | 162.2 | -18.7 | -166.2 | -0.4 | 0 | 0 | 0 | 103.6 | ||||
| 1550 | S | 24.7 | Very low | 22.9 | Very low | 101 Ų | 101 | 139 Ų | 139 | 71% | 0.706 | 75% | 0.746 | S | S | * | * | trans | 68 | 95.2 | 163.1 | 71.7 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1551 | N | 24.7 | Very low | 23.2 | Very low | 176 Ų | 176 | 138.5 Ų | 138.5 | 94% | 0.941 | 74% | 0.742 | S | S | * | * | trans | -136.4 | 126.1 | 141.1 | -119.8 | -12.9 | 0 | 0 | 0 | 111.2 | ||||
| 1552 | N | 25.1 | Very low | 23.5 | Very low | 137 Ų | 137 | 131.8 Ų | 131.8 | 73% | 0.733 | 71% | 0.713 | S | S | * | * | trans | -68.3 | 152.6 | -178.2 | -106.2 | -25.6 | 0 | 0 | 0 | 112.2 | ||||
| 1553 | N | 24.6 | Very low | 23.9 | Very low | 137 Ų | 137 | 129.6 Ų | 129.6 | 73% | 0.733 | 70% | 0.697 | S | S | * | * | trans | 56.8 | 82.5 | 142.8 | -58 | -21.1 | 0 | 0 | 0 | 117.8 | ||||
| 1554 | N | 23.7 | Very low | 24.1 | Very low | 167 Ų | 167 | 128.8 Ų | 128.8 | 89% | 0.893 | 68% | 0.682 | S | S | * | * | trans | -118.5 | 108.8 | 148.1 | -100.5 | -25.7 | 0 | 0 | 0 | 109.5 | G1556 | N1554-G1556 PolarHBondContact O-N 2.86Å; N1554-G1556 VanDerWaalsContact O-N 3.15Å | ||
| 1555 | T | 23.6 | Very low | 24.3 | Very low | 133 Ų | 133 | 125.7 Ų | 125.7 | 82% | 0.816 | 67% | 0.666 | S | S | * | * | trans | -55.6 | 111.8 | 174.2 | 39.5 | 0 | 0 | 0 | 0 | 110.1 | K1557 | T1555-K1557 PolarHBondContact O-N 2.98Å; T1555-K1557 VanDerWaalsContact O-N 3.16Å | ||
| 1556 | G | 22.7 | Very low | 24.4 | Very low | 71 Ų | 71 | 123.7 Ų | 123.7 | 73% | 0.732 | 66% | 0.661 | S | S | * | * | trans | -61.8 | 110.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | N1554 K1558 | N1554-G1556 PolarHBondContact O-N 2.86Å; N1554-G1556 VanDerWaalsContact O-N 3.15Å; G1556-K1558 PolarHBondContact O-N 2.62Å; G1556-K1558 VanDerWaalsContact O-N 3.16Å | ||
| 1557 | K | 21.6 | Very low | 24.5 | Very low | 174 Ų | 174 | 126.6 Ų | 126.6 | 76% | 0.757 | 66% | 0.657 | S | S | * | * | trans | -62.7 | 106.1 | 174.7 | -65.6 | 174.4 | 177.9 | 176.2 | 0 | 109.6 | T1555 Y1559 | T1555-K1557 PolarHBondContact O-N 2.98Å; T1555-K1557 VanDerWaalsContact O-N 3.16Å; K1557-Y1559 HydrophobicContact CB-CE2 4.42Å; K1557-Y1559 WeakPolarHBondContact O-CD2 3.24Å; K1557-Y1559 PolarHBondContact O-N 3.29Å | ||
| 1558 | K | 22 | Very low | 24.5 | Very low | 186 Ų | 186 | 124.6 Ų | 124.6 | 81% | 0.809 | 66% | 0.655 | S | S | * | * | trans | -76.2 | 102.2 | 174.5 | -74.8 | 179.6 | 177.7 | 176.6 | 0 | 109.6 | G1556 | G1556-K1558 PolarHBondContact O-N 2.62Å; G1556-K1558 VanDerWaalsContact O-N 3.16Å | ||
| 1559 | Y | 23.4 | Very low | 24.4 | Very low | 191 Ų | 191 | 126.9 Ų | 126.9 | 75% | 0.749 | 66% | 0.66 | S | S | * | * | trans | -69.1 | 143.2 | 174 | -68.9 | -88.7 | 0 | 0 | 0 | 110.7 | K1557 S1561 | K1557-Y1559 HydrophobicContact CB-CE2 4.42Å; K1557-Y1559 WeakPolarHBondContact O-CD2 3.24Å; K1557-Y1559 PolarHBondContact O-N 3.29Å; Y1559-S1561 VanDerWaalsContact C-N 3.34Å; Y1559-S1561 PolarHBondContact O-N 3.05Å | ||
| 1560 | I | 22.9 | Very low | 24.3 | Very low | 104 Ų | 104 | 128 Ų | 128 | 53% | 0.533 | 66% | 0.661 | S | S | . | * | trans | -50.6 | 105.8 | 152.8 | -68.8 | 166 | 0 | 0 | 0 | 105.4 | P1495 V1562 | P1495-I1560 HydrophobicContact CG-CB 4.3Å; P1495-I1560 HydrophobicContact CG-CD1 4.16Å; P1495-I1560 HydrophobicContact CG-CG2 4.31Å; I1560-V1562 VanDerWaalsContact C-N 3.28Å; I1560-V1562 PolarHBondContact O-N 3.16Å | ||
| 1561 | S | 28.3 | Very low | 24.1 | Very low | 82 Ų | 82 | 130.4 Ų | 130.4 | 57% | 0.573 | 66% | 0.661 | S | S | * | * | trans | -74.1 | 88.6 | -178.6 | 50.6 | 0 | 0 | 0 | 0 | 108.3 | Y1559 I1563 | Y1559-S1561 VanDerWaalsContact C-N 3.34Å; Y1559-S1561 PolarHBondContact O-N 3.05Å; S1561-I1563 PolarHBondContact O-N 3.24Å | ||
| 1562 | V | 27.9 | Very low | 23.9 | Very low | 26 Ų | 26 | 132.4 Ų | 132.4 | 16% | 0.158 | 66% | 0.657 | C | S | . | * | trans | -63.7 | 97.8 | 150.4 | -175 | 0 | 0 | 0 | 0 | 104.5 | C1486 I1493 I1560 H1564 | C1486-V1562 HydrophobicContact CB-CG1 4.38Å; I1493-V1562 HydrophobicContact CB-CG1 4.34Å; I1493-V1562 VanDerWaalsContact O-CB 3.31Å; I1493-V1562 WeakPolarHBondContact O-CB 3.3Å; I1493-V1562 WeakPolarHBondContact O-CG1 3.14Å; I1493-V1562 WeakPolarHBondContact O-CG2 3.39Å; I1560-V1562 VanDerWaalsContact C-N 3.28Å; I1560-V1562 PolarHBondContact O-N 3.16Å; V1562-H1564 PolarHBondContact O-N 3.37Å | ||
| 1563 | I | 28.1 | Very low | 23.6 | Very low | 67 Ų | 67 | 135.1 Ų | 135.1 | 34% | 0.344 | 66% | 0.658 | S | S | . | * | trans | -64.8 | 112.3 | -179.4 | -63.3 | 173.9 | 0 | 0 | 0 | 106.9 | S1561 F1565 | S1561-I1563 PolarHBondContact O-N 3.24Å; I1563-F1565 HydrophobicContact CG2-CD2 4.49Å; I1563-F1565 HydrophobicContact CG2-CE1 4.29Å; I1563-F1565 HydrophobicContact CG2-CE2 4.14Å; I1563-F1565 HydrophobicContact CG2-CZ 4.03Å | ||
| 1564 | H | 27.1 | Very low | 23.3 | Very low | 77 Ų | 77 | 134.5 Ų | 134.5 | 36% | 0.356 | 66% | 0.663 | S | S | . | * | trans | -83.2 | 119.3 | 172.7 | -119.6 | -55.4 | 0 | 0 | 0 | 108.7 | S1492 V1562 N1566 | S1492-H1564 WeakPolarHBondContact CA-CE1 3.22Å; S1492-H1564 WeakPolarHBondContact CA-NE2 3.47Å; S1492-H1564 WeakPolarHBondContact CB-CE1 3.3Å; S1492-H1564 WeakPolarHBondContact CB-NE2 3.04Å; S1492-H1564 PolarHBondContact OG-NE2 3.44Å; V1562-H1564 PolarHBondContact O-N 3.37Å; H1564-N1566 PolarHBondContact O-N 3.26Å | ||
| 1565 | F | 25.6 | Very low | 23.1 | Very low | 95 Ų | 95 | 134.9 Ų | 134.9 | 42% | 0.417 | 66% | 0.66 | S | S | . | * | trans | -89.7 | 94.1 | 174.9 | -69.9 | -81 | 0 | 0 | 0 | 109.1 | I1563 F1630 | I1563-F1565 HydrophobicContact CG2-CD2 4.49Å; I1563-F1565 HydrophobicContact CG2-CE1 4.29Å; I1563-F1565 HydrophobicContact CG2-CE2 4.14Å; I1563-F1565 HydrophobicContact CG2-CZ 4.03Å; F1565-F1630 HydrophobicContact CE2-CD2 4.23Å; F1565-F1630 AromaticContact CE2-CE2 3.69Å; F1565-F1630 HydrophobicContact CE2-CE2 3.69Å; F1565-F1630 HydrophobicContact CE2-CZ 4.15Å; F1565-F1630 AromaticContact CZ-CD2 3.79Å; F1565-F1630 HydrophobicContact CZ-CD2 3.79Å; F1565-F1630 AromaticContact CZ-CE2 3.68Å; F1565-F1630 HydrophobicContact CZ-CE2 3.68Å | ||
| 1566 | N | 25.2 | Very low | 22.9 | Very low | 132 Ų | 132 | 133.5 Ų | 133.5 | 71% | 0.706 | 66% | 0.655 | S | S | * | * | trans | -74.9 | 122.1 | 169.8 | -84.9 | -13.9 | 0 | 0 | 0 | 109.9 | H1564 | H1564-N1566 PolarHBondContact O-N 3.26Š| ||
| 1567 | H | 23.2 | Very low | 22.8 | Very low | 129 Ų | 129 | 137.9 Ų | 137.9 | 60% | 0.597 | 66% | 0.662 | S | S | * | * | trans | -82.3 | 112 | 176.5 | -106.7 | -49.6 | 0 | 0 | 0 | 110.3 | ||||
| 1568 | H | 22.5 | Very low | 22.8 | Very low | 164 Ų | 164 | 137.2 Ų | 137.2 | 76% | 0.759 | 67% | 0.667 | S | S | * | * | trans | -79.2 | 119.8 | 163.6 | -83.7 | -72.7 | 0 | 0 | 0 | 109.5 | H1570 | H1568-H1570 PolarHBondContact O-N 3.33Å; H1568-H1570 VanDerWaalsContact O-N 3.13Å | ||
| 1569 | H | 21.4 | Very low | 23 | Very low | 175 Ų | 175 | 137.1 Ų | 137.1 | 81% | 0.81 | 67% | 0.671 | S | S | * | * | trans | -66.3 | 102.1 | 170 | -86.6 | -87.8 | 0 | 0 | 0 | 110.1 | ||||
| 1570 | H | 21.8 | Very low | 22.9 | Very low | 165 Ų | 165 | 134.5 Ų | 134.5 | 76% | 0.764 | 67% | 0.67 | S | S | * | * | trans | -90.1 | 102.7 | 161.2 | -90 | -72.9 | 0 | 0 | 0 | 109.4 | H1568 Y1572 | H1568-H1570 PolarHBondContact O-N 3.33Å; H1568-H1570 VanDerWaalsContact O-N 3.13Å; H1570-Y1572 PolarHBondContact O-N 3.16Å | ||
| 1571 | H | 20.7 | Very low | 22.9 | Very low | 151 Ų | 151 | 136.3 Ų | 136.3 | 70% | 0.699 | 68% | 0.681 | S | S | * | * | trans | -65.7 | 111.4 | 165.5 | -90.4 | -72.8 | 0 | 0 | 0 | 109.7 | Y1573 | H1571-Y1573 HydrophobicContact CB-CD2 4.45Š| ||
| 1572 | Y | 20.3 | Very low | 22.6 | Very low | 217 Ų | 217 | 137.6 Ų | 137.6 | 85% | 0.851 | 69% | 0.685 | S | S | * | * | trans | -87.3 | 99.4 | 156.7 | -90.9 | -86.1 | 0 | 0 | 0 | 108.1 | H1570 | H1570-Y1572 PolarHBondContact O-N 3.16Š| ||
| 1573 | Y | 19 | Very low | 22.5 | Very low | 194 Ų | 194 | 143.9 Ų | 143.9 | 76% | 0.761 | 72% | 0.718 | S | S | * | * | trans | -83.1 | 110.8 | 164.3 | -106.4 | -90.1 | 0 | 0 | 0 | 108.4 | H1571 Q1575 | H1571-Y1573 HydrophobicContact CB-CD2 4.45Å; Y1573-Q1575 PolarHBondContact O-N 3.23Å | ||
| 1574 | C | 18.5 | Very low | 22.2 | Very low | 124 Ų | 124 | 146.6 Ų | 146.6 | 84% | 0.838 | 74% | 0.738 | S | S | * | * | trans | -80.2 | 108 | 167 | -69.6 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1575 | Q | 19.5 | Very low | 22.1 | Very low | 176 Ų | 176 | 147.7 Ų | 147.7 | 82% | 0.822 | 75% | 0.754 | S | S | * | * | trans | -107.9 | 112.8 | 169.8 | -150 | 157.4 | -5.8 | 0 | 0 | 108.3 | Y1573 | Y1573-Q1575 PolarHBondContact O-N 3.23Š| ||
| 1576 | S | 19.6 | Very low | 22 | Very low | 104 Ų | 104 | 148.7 Ų | 148.7 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | trans | -60.5 | 134.3 | 169.1 | 54.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1577 | N | 21.5 | Very low | 22.1 | Very low | 163 Ų | 163 | 149.2 Ų | 149.2 | 87% | 0.872 | 77% | 0.771 | S | S | * | * | trans | -151.3 | 120.2 | 144.4 | -97.5 | -18.5 | 0 | 0 | 0 | 109.6 | ||||
| 1578 | N | 20.4 | Very low | 22.1 | Very low | 160 Ų | 160 | 150.9 Ų | 150.9 | 86% | 0.856 | 79% | 0.785 | S | S | * | * | trans | -55.8 | 141.2 | 162.1 | -85.1 | -22.8 | 0 | 0 | 0 | 110.1 | ||||
| 1579 | M | 26.2 | Very low | 22.2 | Very low | 183 Ų | 183 | 150.9 Ų | 150.9 | 90% | 0.901 | 79% | 0.79 | S | S | * | * | trans | -162.2 | 135.4 | 137.9 | -106.4 | -78.7 | 163.4 | 0 | 0 | 109 | ||||
| 1580 | D | 21.2 | Very low | 22.4 | Very low | 136 Ų | 136 | 149.3 Ų | 149.3 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | trans | -70.1 | 173.1 | -172.3 | -65.3 | -58.9 | 0 | 0 | 0 | 114.2 | ||||
| 1581 | N | 23.4 | Very low | 22.7 | Very low | 143 Ų | 143 | 144.9 Ų | 144.9 | 77% | 0.765 | 78% | 0.776 | S | S | * | * | trans | 92.3 | 105 | 151.2 | -72.6 | -16.7 | 0 | 0 | 0 | 120.1 | ||||
| 1582 | T | 22.4 | Very low | 23 | Very low | 108 Ų | 108 | 144.4 Ų | 144.4 | 66% | 0.663 | 78% | 0.777 | S | S | * | * | 35.8 | 109.5 | 121.1 | 63.5 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 1583 | N | 24.7 | Very low | 23.4 | Very low | 158 Ų | 158 | 140.2 Ų | 140.2 | 85% | 0.845 | 77% | 0.768 | S | S | * | * | -177.8 | 156.7 | 112.3 | -88.5 | -24.6 | 0 | 0 | 0 | 111.9 | |||||
| 1584 | T | 23.3 | Very low | 24 | Very low | 125 Ų | 125 | 133.4 Ų | 133.4 | 77% | 0.767 | 75% | 0.749 | S | S | * | * | trans | -75.3 | 155.7 | -167.5 | 45.6 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1585 | S | 23 | Very low | 24.5 | Very low | 99 Ų | 99 | 131.5 Ų | 131.5 | 69% | 0.692 | 73% | 0.731 | S | S | * | * | trans | 80.2 | 106.9 | 148.6 | 74.4 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1586 | T | 25.3 | Very low | 24.8 | Very low | 117 Ų | 117 | 129.6 Ų | 129.6 | 72% | 0.718 | 72% | 0.723 | S | S | * | * | 66.8 | 120 | 124.6 | 57.9 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 1587 | D | 25.6 | Very low | 25.3 | Very low | 143 Ų | 143 | 132.5 Ų | 132.5 | 77% | 0.765 | 72% | 0.718 | S | S | * | * | trans | 76.3 | 88.3 | 138.4 | -58 | -16.5 | 0 | 0 | 0 | 119.5 | ||||
| 1588 | N | 24.4 | Very low | 25.7 | Very low | 164 Ų | 164 | 128.4 Ų | 128.4 | 88% | 0.877 | 70% | 0.697 | S | S | * | * | trans | -152.8 | 117.1 | 143.6 | -96.9 | -28 | 0 | 0 | 0 | 109.7 | ||||
| 1589 | N | 24 | Very low | 26.2 | Very low | 164 Ų | 164 | 126.6 Ų | 126.6 | 88% | 0.877 | 69% | 0.685 | S | S | * | * | trans | -108.1 | 26.3 | -168.5 | -116 | -16.8 | 0 | 0 | 0 | 113.2 | ||||
| 1590 | D | 25.1 | Very low | 26.4 | Very low | 141 Ų | 141 | 123 Ų | 123 | 75% | 0.754 | 67% | 0.669 | S | S | * | * | trans | -114.9 | 13.6 | -170.2 | -80 | -27.3 | 0 | 0 | 0 | 116.2 | ||||
| 1591 | S | 28.7 | Very low | 26.8 | Very low | 73 Ų | 73 | 123.7 Ų | 123.7 | 51% | 0.51 | 67% | 0.668 | S | S | . | * | S | Bend | trans | -90.4 | -18 | -174.7 | 92.1 | 0 | 0 | 0 | 0 | 116.1 | L1593 S1594 D1595 | S1591-L1593 VanDerWaalsContact C-N 3.34Å; S1591-L1593 PolarHBondContact O-N 2.86Å; S1591-S1594 PolarHBondContact O-N 2.92Å; S1591-S1594 PolarHBondContact O-OG 2.81Å; S1591-D1595 PolarHBondContact O-N 2.6Å |
| 1592 | I | 26.9 | Very low | 27.1 | Very low | 141 Ų | 141 | 123.3 Ų | 123.3 | 72% | 0.723 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -74.7 | -29.5 | -174.6 | -61.2 | 175.1 | 0 | 0 | 0 | 111.4 | M1596 | I1592-M1596 PolarHBondContact O-N 2.7Å |
| 1593 | L | 28.2 | Very low | 27.4 | Very low | 128 Ų | 128 | 120.2 Ų | 120.2 | 67% | 0.67 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -82.9 | -19.2 | 179.4 | -121.1 | 144.6 | 0 | 0 | 0 | 113.1 | S1591 R1597 | S1591-L1593 VanDerWaalsContact C-N 3.34Å; S1591-L1593 PolarHBondContact O-N 2.86Å; L1593-R1597 PolarHBondContact O-NE 3.04Å |
| 1594 | S | 32.1 | Very low | 27.5 | Very low | 51 Ų | 51 | 121.2 Ų | 121.2 | 36% | 0.357 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -82.8 | -36.3 | 171.2 | 57.2 | 0 | 0 | 0 | 0 | 112.2 | S1591 R1597 N1598 | S1591-S1594 PolarHBondContact O-N 2.92Å; S1591-S1594 PolarHBondContact O-OG 2.81Å; S1594-R1597 PolarHBondContact O-N 3.03Å; S1594-N1598 PolarHBondContact O-N 3.07Å |
| 1595 | D | 29.2 | Very low | 27.8 | Very low | 85 Ų | 85 | 119.4 Ų | 119.4 | 46% | 0.455 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -74.4 | -34.6 | -176.5 | -73.7 | -13.8 | 0 | 0 | 0 | 112.8 | S1591 R1597 N1598 I1599 | S1591-D1595 PolarHBondContact O-N 2.6Å; D1595-R1597 VanDerWaalsContact C-N 3.32Å; D1595-R1597 PolarHBondContact O-N 3.42Å; D1595-N1598 PolarHBondContact O-N 2.67Å; D1595-I1599 VanDerWaalsContact O-CG1 3.28Å; D1595-I1599 WeakPolarHBondContact O-CG1 3.32Å; D1595-I1599 PolarHBondContact O-N 3.15Å |
| 1596 | M | 26.5 | Very low | 28 | Very low | 136 Ų | 136 | 118.6 Ų | 118.6 | 67% | 0.67 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -67.9 | -32 | 171.1 | -78.4 | -149.6 | 173.5 | 0 | 0 | 112.8 | I1592 I1600 | I1592-M1596 PolarHBondContact O-N 2.7Å; M1596-I1600 WeakPolarHBondContact O-CG1 3.18Å; M1596-I1600 PolarHBondContact O-N 2.77Å |
| 1597 | R | 29.3 | Very low | 28.3 | Very low | 164 Ų | 164 | 118.8 Ų | 118.8 | 62% | 0.619 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -67.6 | -38.7 | 171.9 | -98.4 | -174.2 | -99.3 | -167.3 | -10.3 | 112 | L1593 S1594 D1595 Q1601 | L1593-R1597 PolarHBondContact O-NE 3.04Å; S1594-R1597 PolarHBondContact O-N 3.03Å; D1595-R1597 VanDerWaalsContact C-N 3.32Å; D1595-R1597 PolarHBondContact O-N 3.42Å; R1597-Q1601 PolarHBondContact O-N 3.33Å; R1597-Q1601 VanDerWaalsContact O-N 3.11Å |
| 1598 | N | 30.1 | Very low | 28.6 | Very low | 78 Ų | 78 | 116.1 Ų | 116.1 | 42% | 0.417 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -70.3 | -31.9 | 177.4 | -81.5 | -17.7 | 0 | 0 | 0 | 113.1 | S1594 D1595 N1602 | S1594-N1598 PolarHBondContact O-N 3.07Å; D1595-N1598 PolarHBondContact O-N 2.67Å; N1598-N1602 WeakPolarHBondContact O-CB 3.39Å; N1598-N1602 PolarHBondContact O-N 2.79Å; N1598-N1602 VanDerWaalsContact O-N 3.11Å; N1598-N1602 PolarHBondContact O-ND2 2.8Å |
| 1599 | I | 29.9 | Very low | 28.7 | Very low | 121 Ų | 121 | 112.6 Ų | 112.6 | 62% | 0.621 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -71.8 | -38.2 | 177.1 | -67.1 | 164.6 | 0 | 0 | 0 | 111.2 | D1595 N1602 S1603 | D1595-I1599 VanDerWaalsContact O-CG1 3.28Å; D1595-I1599 WeakPolarHBondContact O-CG1 3.32Å; D1595-I1599 PolarHBondContact O-N 3.15Å; I1599-N1602 PolarHBondContact O-N 3.34Å; I1599-S1603 PolarHBondContact O-N 2.77Å |
| 1600 | I | 30.6 | Very low | 29 | Very low | 107 Ų | 107 | 107.2 Ų | 107.2 | 55% | 0.549 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -67.3 | -39.9 | 175.6 | -64.7 | 170.1 | 0 | 0 | 0 | 110.3 | M1596 N1602 S1603 | M1596-I1600 WeakPolarHBondContact O-CG1 3.18Å; M1596-I1600 PolarHBondContact O-N 2.77Å; I1600-N1602 VanDerWaalsContact C-N 3.33Å; I1600-N1602 PolarHBondContact O-N 2.7Å; I1600-S1603 PolarHBondContact O-OG 2.68Å; I1600-S1603 VanDerWaalsContact O-OG 3.06Å |
| 1601 | Q | 30.9 | Very low | 29.4 | Very low | 152 Ų | 152 | 105.5 Ų | 105.5 | 71% | 0.71 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -69.8 | -24.9 | 178.6 | -78 | -165.7 | -13.3 | 0 | 0 | 114.5 | R1597 | R1597-Q1601 PolarHBondContact O-N 3.33Å; R1597-Q1601 VanDerWaalsContact O-N 3.11Å |
| 1602 | N | 28.5 | Very low | 29.4 | Very low | 135 Ų | 135 | 106.3 Ų | 106.3 | 72% | 0.722 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.9 | 8.6 | -178.8 | -68.7 | -25.7 | 0 | 0 | 0 | 113.9 | N1598 I1599 I1600 | N1598-N1602 WeakPolarHBondContact O-CB 3.39Å; N1598-N1602 PolarHBondContact O-N 2.79Å; N1598-N1602 VanDerWaalsContact O-N 3.11Å; N1598-N1602 PolarHBondContact O-ND2 2.8Å; I1599-N1602 PolarHBondContact O-N 3.34Å; I1600-N1602 VanDerWaalsContact C-N 3.33Å; I1600-N1602 PolarHBondContact O-N 2.7Å |
| 1603 | S | 28.5 | Very low | 29.5 | Very low | 43 Ų | 43 | 104.3 Ų | 104.3 | 30% | 0.301 | 56% | 0.558 | S | S | . | * | S | Bend | trans | -94.1 | 131.2 | 173.3 | 69.3 | 0 | 0 | 0 | 0 | 110.3 | I1599 I1600 L1605 | I1599-S1603 PolarHBondContact O-N 2.77Å; I1600-S1603 PolarHBondContact O-OG 2.68Å; I1600-S1603 VanDerWaalsContact O-OG 3.06Å; S1603-L1605 PolarHBondContact O-N 2.82Å; S1603-L1605 WeakPolarHBondContact OG-CD1 3.24Å |
| 1604 | N | 28.4 | Very low | 29.8 | Very low | 178 Ų | 178 | 104.1 Ų | 104.1 | 95% | 0.952 | 56% | 0.558 | S | S | * | * | trans | -71.6 | 52.1 | 179.8 | -74.8 | -26 | 0 | 0 | 0 | 112.3 | ||||
| 1605 | L | 29 | Very low | 29.5 | Very low | 87 Ų | 87 | 107.3 Ų | 107.3 | 46% | 0.455 | 57% | 0.571 | S | S | . | * | trans | -84.8 | 139.1 | 173.6 | -101.2 | 118.5 | 0 | 0 | 0 | 110.2 | S1603 Q1607 L1609 | S1603-L1605 PolarHBondContact O-N 2.82Å; S1603-L1605 WeakPolarHBondContact OG-CD1 3.24Å; L1605-Q1607 PolarHBondContact O-N 3.27Å; L1605-L1609 HydrophobicContact CD2-CB 3.98Å; L1605-L1609 HydrophobicContact CD2-CD1 3.99Å; L1605-L1609 HydrophobicContact CD2-CG 4.39Å | ||
| 1606 | P | 27.5 | Very low | 29.6 | Very low | 83 Ų | 83 | 110.3 Ų | 110.3 | 54% | 0.539 | 59% | 0.587 | S | S | . | * | trans | -57.8 | 136.4 | 176.3 | -19.9 | 30.2 | 0 | 0 | 0 | 111.5 | S1608 L1609 | P1606-S1608 PolarHBondContact O-N 3.3Å; P1606-L1609 PolarHBondContact O-N 3.39Å | ||
| 1607 | Q | 31.1 | Very low | 29.7 | Very low | 121 Ų | 121 | 110.7 Ų | 110.7 | 57% | 0.565 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -56.6 | -17.4 | -174.6 | -160.8 | 66.1 | 28.9 | 0 | 0 | 114.5 | L1605 L1609 I1610 N1611 | L1605-Q1607 PolarHBondContact O-N 3.27Å; Q1607-L1609 VanDerWaalsContact C-N 3.31Å; Q1607-L1609 PolarHBondContact O-N 3.31Å; Q1607-I1610 PolarHBondContact O-N 3Å; Q1607-N1611 PolarHBondContact O-N 3.13Å |
| 1608 | S | 31.1 | Very low | 29.5 | Very low | 87 Ų | 87 | 109.1 Ų | 109.1 | 61% | 0.608 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -68 | -27.5 | 174.1 | 62.4 | 0 | 0 | 0 | 0 | 113.5 | P1606 T1612 | P1606-S1608 PolarHBondContact O-N 3.3Å; S1608-T1612 PolarHBondContact O-OG1 3.43Å |
| 1609 | L | 27.1 | Very low | 29.2 | Very low | 90 Ų | 90 | 113.2 Ų | 113.2 | 47% | 0.471 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -82.9 | -32.3 | 174.8 | -96.9 | 140.1 | 0 | 0 | 0 | 112.2 | L1605 P1606 Q1607 N1611 T1612 C1613 | L1605-L1609 HydrophobicContact CD2-CB 3.98Å; L1605-L1609 HydrophobicContact CD2-CD1 3.99Å; L1605-L1609 HydrophobicContact CD2-CG 4.39Å; P1606-L1609 PolarHBondContact O-N 3.39Å; Q1607-L1609 VanDerWaalsContact C-N 3.31Å; Q1607-L1609 PolarHBondContact O-N 3.31Å; L1609-N1611 VanDerWaalsContact C-N 3.31Å; L1609-N1611 PolarHBondContact O-N 3.3Å; L1609-T1612 WeakPolarHBondContact CA-OG1 3.26Å; L1609-T1612 PolarHBondContact O-N 3.32Å; L1609-T1612 PolarHBondContact O-OG1 2.96Å; L1609-C1613 PolarHBondContact O-N 3.26Å; L1609-C1613 VanDerWaalsContact O-N 3.14Å |
| 1610 | I | 31.3 | Very low | 29 | Very low | 50 Ų | 50 | 115 Ų | 115 | 26% | 0.256 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -64.2 | -38.8 | 174.1 | -68.1 | 164.7 | 0 | 0 | 0 | 110.7 | Q1607 T1612 C1613 | Q1607-I1610 PolarHBondContact O-N 3Å; I1610-T1612 PolarHBondContact O-N 2.64Å; I1610-C1613 PolarHBondContact O-N 3.44Å |
| 1611 | N | 32.3 | Very low | 28.7 | Very low | 105 Ų | 105 | 117.1 Ų | 117.1 | 56% | 0.561 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -76.9 | -19.9 | 179.4 | -70.1 | -8 | 0 | 0 | 0 | 113.8 | Q1607 L1609 | Q1607-N1611 PolarHBondContact O-N 3.13Å; L1609-N1611 VanDerWaalsContact C-N 3.31Å; L1609-N1611 PolarHBondContact O-N 3.3Å |
| 1612 | T | 28.5 | Very low | 28.3 | Very low | 90 Ų | 90 | 116.9 Ų | 116.9 | 55% | 0.552 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -88.4 | -16.2 | 175 | 29 | 0 | 0 | 0 | 0 | 113.2 | S1608 L1609 I1610 N1614 | S1608-T1612 PolarHBondContact O-OG1 3.43Å; L1609-T1612 WeakPolarHBondContact CA-OG1 3.26Å; L1609-T1612 PolarHBondContact O-N 3.32Å; L1609-T1612 PolarHBondContact O-OG1 2.96Å; I1610-T1612 PolarHBondContact O-N 2.64Å; T1612-N1614 VanDerWaalsContact C-N 3.26Å; T1612-N1614 PolarHBondContact O-N 3.49Å |
| 1613 | C | 30.4 | Very low | 28 | Very low | 100 Ų | 100 | 113.5 Ų | 113.5 | 68% | 0.676 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81 | 3.4 | 171.9 | -86.2 | 0 | 0 | 0 | 0 | 114.5 | L1609 I1610 | L1609-C1613 PolarHBondContact O-N 3.26Å; L1609-C1613 VanDerWaalsContact O-N 3.14Å; I1610-C1613 PolarHBondContact O-N 3.44Å |
| 1614 | N | 32.7 | Very low | 27.8 | Very low | 123 Ų | 123 | 116.8 Ų | 116.8 | 66% | 0.658 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94 | 2.2 | 176.7 | -78.5 | -16.5 | 0 | 0 | 0 | 114.4 | T1612 | T1612-N1614 VanDerWaalsContact C-N 3.26Å; T1612-N1614 PolarHBondContact O-N 3.49Å |
| 1615 | D | 27.4 | Very low | 27.6 | Very low | 119 Ų | 119 | 111.5 Ų | 111.5 | 64% | 0.636 | 61% | 0.612 | S | S | * | * | trans | -98.6 | 105 | 170.7 | -86 | -24.5 | 0 | 0 | 0 | 110.5 | N1617 M1618 | D1615-N1617 PolarHBondContact O-N 2.84Å; D1615-M1618 PolarHBondContact O-N 2.8Å; D1615-M1618 VanDerWaalsContact O-N 3.14Å | ||
| 1616 | D | 29.5 | Very low | 27.4 | Very low | 148 Ų | 148 | 112.9 Ų | 112.9 | 79% | 0.791 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.6 | -11.2 | 176.3 | -74.5 | -34.2 | 0 | 0 | 0 | 114.2 | ||
| 1617 | N | 28.8 | Very low | 27.3 | Very low | 143 Ų | 143 | 115 Ų | 115 | 77% | 0.765 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.4 | -12 | -179.4 | -75.5 | -32.3 | 0 | 0 | 0 | 115.1 | D1615 | D1615-N1617 PolarHBondContact O-N 2.84Š|
| 1618 | M | 25.7 | Very low | 27 | Very low | 131 Ų | 131 | 115.2 Ų | 115.2 | 65% | 0.645 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.5 | -24.4 | 178.6 | -99.1 | -81.2 | -179.1 | 0 | 0 | 113.7 | D1615 M1620 M1621 | D1615-M1618 PolarHBondContact O-N 2.8Å; D1615-M1618 VanDerWaalsContact O-N 3.14Å; M1618-M1620 PolarHBondContact O-N 3.09Å; M1618-M1620 VanDerWaalsContact O-N 3.13Å; M1618-M1621 PolarHBondContact O-N 3.31Å; M1618-M1621 VanDerWaalsContact O-N 3.08Å |
| 1619 | M | 24 | Very low | 26.8 | Very low | 165 Ų | 165 | 116.1 Ų | 116.1 | 81% | 0.813 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.6 | -11.7 | 174.1 | -80.2 | -71.4 | -93.7 | 0 | 0 | 113.3 | ||
| 1620 | M | 25.9 | Very low | 26.7 | Very low | 159 Ų | 159 | 113.7 Ų | 113.7 | 78% | 0.783 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.9 | -5.5 | 173.5 | -70.8 | -66.5 | -71.8 | 0 | 0 | 114.3 | M1618 | M1618-M1620 PolarHBondContact O-N 3.09Å; M1618-M1620 VanDerWaalsContact O-N 3.13Å |
| 1621 | M | 23.4 | Very low | 26.5 | Very low | 150 Ų | 150 | 116.2 Ų | 116.2 | 74% | 0.739 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -96 | -11.7 | -179.7 | -78.2 | -124.2 | -156.8 | 0 | 0 | 115 | M1618 S1623 | M1618-M1621 PolarHBondContact O-N 3.31Å; M1618-M1621 VanDerWaalsContact O-N 3.08Å; M1621-S1623 VanDerWaalsContact C-N 3.3Å; M1621-S1623 PolarHBondContact O-N 3Å |
| 1622 | I | 22.7 | Very low | 26.2 | Very low | 147 Ų | 147 | 116.3 Ų | 116.3 | 75% | 0.754 | 62% | 0.619 | S | S | * | * | trans | -96.6 | 63.4 | 172.9 | -49.2 | 178.2 | 0 | 0 | 0 | 108.2 | ||||
| 1623 | S | 22.8 | Very low | 26.2 | Very low | 64 Ų | 64 | 113.9 Ų | 113.9 | 45% | 0.448 | 61% | 0.606 | S | S | . | * | trans | -67.7 | 131.8 | 176.1 | 78.2 | 0 | 0 | 0 | 0 | 109.3 | M1621 T1625 | M1621-S1623 VanDerWaalsContact C-N 3.3Å; M1621-S1623 PolarHBondContact O-N 3Å; S1623-T1625 PolarHBondContact O-N 3.31Å; S1623-T1625 PolarHBondContact O-OG1 2.77Å; S1623-T1625 WeakPolarHBondContact OG-CG2 3.35Å; S1623-T1625 PolarHBondContact OG-OG1 2.77Å | ||
| 1624 | P | 23.2 | Very low | 25.9 | Very low | 113 Ų | 113 | 111.2 Ų | 111.2 | 73% | 0.734 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -71.3 | 28.5 | -175.6 | 27.4 | -33.3 | 0 | 0 | 0 | 114.4 | N1626 | P1624-N1626 VanDerWaalsContact C-N 3.3Å; P1624-N1626 PolarHBondContact O-N 2.86Å |
| 1625 | T | 24.9 | Very low | 25.6 | Very low | 66 Ų | 66 | 108 Ų | 108 | 41% | 0.405 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -67.4 | -20.8 | -171 | 41.9 | 0 | 0 | 0 | 0 | 114.6 | S1623 | S1623-T1625 PolarHBondContact O-N 3.31Å; S1623-T1625 PolarHBondContact O-OG1 2.77Å; S1623-T1625 WeakPolarHBondContact OG-CG2 3.35Å; S1623-T1625 PolarHBondContact OG-OG1 2.77Å |
| 1626 | N | 25.8 | Very low | 25.4 | Very low | 116 Ų | 116 | 110.7 Ų | 110.7 | 62% | 0.62 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -94.7 | -17.5 | -172.4 | -70.4 | -21.5 | 0 | 0 | 0 | 115.4 | P1624 | P1624-N1626 VanDerWaalsContact C-N 3.3Å; P1624-N1626 PolarHBondContact O-N 2.86Å |
| 1627 | L | 25.4 | Very low | 25.1 | Very low | 128 Ų | 128 | 110.6 Ų | 110.6 | 67% | 0.67 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -89.1 | -28.4 | 177.3 | -151.9 | 75.9 | 0 | 0 | 0 | 112.1 | F1629 F1630 | L1627-F1629 VanDerWaalsContact C-N 3.34Å; L1627-F1629 PolarHBondContact O-N 3.15Å; L1627-F1630 PolarHBondContact O-N 2.78Å |
| 1628 | E | 24.6 | Very low | 24.7 | Very low | 125 Ų | 125 | 112.6 Ų | 112.6 | 58% | 0.584 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -74.9 | -23.2 | -177.3 | -138.1 | -177.8 | 177.4 | 0 | 0 | 113.2 | F1630 | E1628-F1630 VanDerWaalsContact C-N 3.28Å; E1628-F1630 PolarHBondContact O-N 2.83Å |
| 1629 | F | 25.4 | Very low | 24.5 | Very low | 107 Ų | 107 | 115 Ų | 115 | 47% | 0.469 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -64.5 | -32 | 174.4 | -165.4 | -97.1 | 0 | 0 | 0 | 112.2 | L1627 | L1627-F1629 VanDerWaalsContact C-N 3.34Å; L1627-F1629 PolarHBondContact O-N 3.15Å |
| 1630 | F | 25.3 | Very low | 24.4 | Very low | 39 Ų | 39 | 115.8 Ų | 115.8 | 17% | 0.171 | 58% | 0.584 | C | S | . | * | H | α-helix | trans | -80.5 | -35.5 | -178 | -105.4 | -83.7 | 0 | 0 | 0 | 113.5 | I1487 F1565 L1627 E1628 R1632 S1633 I1635 L1659 | I1487-F1630 HydrophobicContact CG1-CE1 4.03Å; I1487-F1630 HydrophobicContact CG1-CZ 4.19Å; I1487-F1630 HydrophobicContact CG2-CE1 3.95Å; F1565-F1630 HydrophobicContact CE2-CD2 4.23Å; F1565-F1630 AromaticContact CE2-CE2 3.69Å; F1565-F1630 HydrophobicContact CE2-CE2 3.69Å; F1565-F1630 HydrophobicContact CE2-CZ 4.15Å; F1565-F1630 AromaticContact CZ-CD2 3.79Å; F1565-F1630 HydrophobicContact CZ-CD2 3.79Å; F1565-F1630 AromaticContact CZ-CE2 3.68Å; F1565-F1630 HydrophobicContact CZ-CE2 3.68Å; L1627-F1630 PolarHBondContact O-N 2.78Å; E1628-F1630 VanDerWaalsContact C-N 3.28Å; E1628-F1630 PolarHBondContact O-N 2.83Å; F1630-R1632 PolarHBondContact O-N 2.85Å; F1630-R1632 VanDerWaalsContact O-N 3.13Å; F1630-S1633 PolarHBondContact O-N 2.92Å; F1630-S1633 VanDerWaalsContact O-N 3.07Å; F1630-S1633 PolarHBondContact O-OG 3.37Å; F1630-I1635 HydrophobicContact CD1-CD1 4.2Å; F1630-I1635 HydrophobicContact CE1-CD1 4.13Å; F1630-L1659 HydrophobicContact CZ-CD2 4.21Å |
| 1631 | C | 28.3 | Very low | 24.2 | Very low | 103 Ų | 103 | 112.2 Ų | 112.2 | 70% | 0.696 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -61.2 | -23.3 | 175.2 | -67.1 | 0 | 0 | 0 | 0 | 112.6 | ||
| 1632 | R | 25.3 | Very low | 24.1 | Very low | 106 Ų | 106 | 113 Ų | 113 | 40% | 0.4 | 58% | 0.582 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.8 | -12.4 | 177.3 | -70.2 | -174.8 | 179.2 | -138.9 | 6.1 | 115.2 | Y1277 L1278 F1630 G1634 | Y1277-R1632 PolarHBondContact O-NH1 2.89Å; Y1277-R1632 PolarHBondContact O-NH2 3.28Å; L1278-R1632 PolarHBondContact O-NH1 3.26Å; L1278-R1632 PolarHBondContact O-NH2 3.19Å; F1630-R1632 PolarHBondContact O-N 2.85Å; F1630-R1632 VanDerWaalsContact O-N 3.13Å; R1632-G1634 PolarHBondContact O-N 2.83Å |
| 1633 | S | 28.8 | Very low | 24.1 | Very low | 39 Ų | 39 | 112.6 Ų | 112.6 | 27% | 0.273 | 58% | 0.582 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76.1 | -1.6 | 177.5 | 64.8 | 0 | 0 | 0 | 0 | 113.5 | F1630 I1635 | F1630-S1633 PolarHBondContact O-N 2.92Å; F1630-S1633 VanDerWaalsContact O-N 3.07Å; F1630-S1633 PolarHBondContact O-OG 3.37Å; S1633-I1635 PolarHBondContact O-N 2.96Å; S1633-I1635 WeakPolarHBondContact OG-CD1 3.46Å; S1633-I1635 VanDerWaalsContact OG-CG1 3.22Å; S1633-I1635 WeakPolarHBondContact OG-CG1 3.33Å |
| 1634 | G | 24.4 | Very low | 24.1 | Very low | 45 Ų | 45 | 114 Ų | 114 | 46% | 0.464 | 59% | 0.592 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 70.8 | 14.3 | 179 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y1328 R1632 H1636 | Y1328-G1634 PolarHBondContact OH-O 2.75Å; R1632-G1634 PolarHBondContact O-N 2.83Å; G1634-H1636 PolarHBondContact O-N 3.09Å; G1634-H1636 VanDerWaalsContact O-N 3.09Å |
| 1635 | I | 26.2 | Very low | 24.1 | Very low | 56 Ų | 56 | 117.3 Ų | 117.3 | 29% | 0.287 | 60% | 0.601 | S | S | . | * | trans | -76.6 | 95.7 | 178 | -60.1 | 172.3 | 0 | 0 | 0 | 108.3 | I1487 F1630 S1633 W1637 | I1487-I1635 HydrophobicContact CD1-CD1 4.13Å; I1487-I1635 HydrophobicContact CG2-CD1 4.23Å; F1630-I1635 HydrophobicContact CD1-CD1 4.2Å; F1630-I1635 HydrophobicContact CE1-CD1 4.13Å; S1633-I1635 PolarHBondContact O-N 2.96Å; S1633-I1635 WeakPolarHBondContact OG-CD1 3.46Å; S1633-I1635 VanDerWaalsContact OG-CG1 3.22Å; S1633-I1635 WeakPolarHBondContact OG-CG1 3.33Å; I1635-W1637 PolarHBondContact O-N 3.13Å | ||
| 1636 | H | 23 | Very low | 23.9 | Very low | 174 Ų | 174 | 121.8 Ų | 121.8 | 81% | 0.806 | 62% | 0.615 | S | S | * | * | trans | -71.8 | 118.8 | 164.1 | -108.4 | -79.6 | 0 | 0 | 0 | 108.6 | G1634 Y1638 | G1634-H1636 PolarHBondContact O-N 3.09Å; G1634-H1636 VanDerWaalsContact O-N 3.09Å; H1636-Y1638 PolarHBondContact O-N 3.43Å | ||
| 1637 | W | 23 | Very low | 23.9 | Very low | 146 Ų | 146 | 121.9 Ų | 121.9 | 55% | 0.553 | 63% | 0.625 | S | S | * | * | trans | -68.5 | 115.8 | 174.7 | -63.1 | 87.1 | 0 | 0 | 0 | 109.5 | R1489 I1635 H1639 | R1489-W1637 VanDerWaalsContact NE-CZ3 3.28Å; I1635-W1637 PolarHBondContact O-N 3.13Å; W1637-H1639 PolarHBondContact O-N 2.99Å | ||
| 1638 | Y | 21.5 | Very low | 23.8 | Very low | 186 Ų | 186 | 123.4 Ų | 123.4 | 73% | 0.729 | 63% | 0.626 | S | S | * | * | trans | -71.8 | 108.1 | 169.8 | -82.2 | -88.5 | 0 | 0 | 0 | 109 | H1636 Q1640 | H1636-Y1638 PolarHBondContact O-N 3.43Å; Y1638-Q1640 PolarHBondContact O-N 3.07Å | ||
| 1639 | H | 20.9 | Very low | 23.8 | Very low | 182 Ų | 182 | 125.5 Ų | 125.5 | 84% | 0.843 | 64% | 0.641 | S | S | * | * | trans | -85.3 | 93.6 | 167.2 | -148.6 | -62.8 | 0 | 0 | 0 | 106.7 | W1637 S1641 | W1637-H1639 PolarHBondContact O-N 2.99Å; H1639-S1641 PolarHBondContact O-N 3.29Å | ||
| 1640 | Q | 21.2 | Very low | 24 | Very low | 180 Ų | 180 | 126.1 Ų | 126.1 | 84% | 0.841 | 65% | 0.65 | S | S | * | * | trans | -75 | 111 | 171.5 | -162.5 | 144.4 | -21.5 | 0 | 0 | 107 | Y1638 | Y1638-Q1640 PolarHBondContact O-N 3.07Š| ||
| 1641 | S | 21.9 | Very low | 24.2 | Very low | 85 Ų | 85 | 127.8 Ų | 127.8 | 59% | 0.594 | 67% | 0.666 | S | S | * | * | trans | -59.4 | 144.4 | 177.8 | 44.9 | 0 | 0 | 0 | 0 | 111.1 | H1639 D1643 | H1639-S1641 PolarHBondContact O-N 3.29Å; S1641-D1643 PolarHBondContact O-N 2.67Å | ||
| 1642 | N | 22.2 | Very low | 24.7 | Very low | 166 Ų | 166 | 127.9 Ų | 127.9 | 89% | 0.888 | 67% | 0.668 | S | S | * | * | trans | -53.8 | 91.8 | 175.5 | -71.1 | -21.3 | 0 | 0 | 0 | 111.9 | ||||
| 1643 | D | 22 | Very low | 25.4 | Very low | 138 Ų | 138 | 130 Ų | 130 | 74% | 0.738 | 68% | 0.681 | S | S | * | * | trans | -116.4 | 106.8 | 161.2 | -83.8 | -35.5 | 0 | 0 | 0 | 108.6 | S1641 | S1641-D1643 PolarHBondContact O-N 2.67Š| ||
| 1644 | S | 23.5 | Very low | 26.4 | Very low | 94 Ų | 94 | 128.6 Ų | 128.6 | 66% | 0.657 | 67% | 0.67 | S | S | * | * | trans | 29.2 | 106.9 | 157.4 | 61.4 | 0 | 0 | 0 | 0 | 116.8 | K1646 | S1644-K1646 VanDerWaalsContact C-N 3.32Å; S1644-K1646 PolarHBondContact O-N 3.23Å | ||
| 1645 | I | 22.4 | Very low | 27.8 | Very low | 182 Ų | 182 | 129.1 Ų | 129.1 | 93% | 0.933 | 66% | 0.662 | S | S | * | * | trans | -47 | 94.1 | 160.9 | -60.1 | 161.1 | 0 | 0 | 0 | 108.8 | ||||
| 1646 | K | 21.5 | Very low | 29.4 | Very low | 160 Ų | 160 | 126.4 Ų | 126.4 | 70% | 0.696 | 65% | 0.648 | S | S | * | * | trans | -107.4 | 118.5 | 158.2 | -80.4 | -173.2 | 176.8 | 179.6 | 0 | 105.8 | S1644 F1648 | S1644-K1646 VanDerWaalsContact C-N 3.32Å; S1644-K1646 PolarHBondContact O-N 3.23Å; K1646-F1648 HydrophobicContact CB-CD2 4.42Å; K1646-F1648 PolarHBondContact O-N 2.9Å | ||
| 1647 | S | 25.4 | Very low | 31.3 | Very low | 119 Ų | 119 | 119.6 Ų | 119.6 | 83% | 0.832 | 62% | 0.618 | S | S | * | * | trans | -51 | 97.4 | 172.7 | 52.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1648 | F | 23.2 | Very low | 33.4 | Very low | 160 Ų | 160 | 112.7 Ų | 112.7 | 70% | 0.702 | 59% | 0.592 | S | S | * | * | trans | -99.3 | 125.9 | 170.2 | -100.9 | -85.9 | 0 | 0 | 0 | 108.7 | K1646 D1650 | K1646-F1648 HydrophobicContact CB-CD2 4.42Å; K1646-F1648 PolarHBondContact O-N 2.9Å; F1648-D1650 PolarHBondContact O-N 2.8Å | ||
| 1649 | D | 25.4 | Very low | 35.2 | Very low | 168 Ų | 168 | 104.6 Ų | 104.6 | 90% | 0.898 | 56% | 0.561 | S | S | * | * | trans | -64.8 | 42.4 | 170.9 | -72.3 | -45.7 | 0 | 0 | 0 | 112.7 | S1651 | D1649-S1651 PolarHBondContact O-N 3.44Š| ||
| 1650 | D | 29.2 | Very low | 37.2 | Very low | 121 Ų | 121 | 96 Ų | 96 | 65% | 0.647 | 52% | 0.521 | S | S | * | . | trans | -90.8 | 99.2 | -177.3 | -77.7 | -21 | 0 | 0 | 0 | 110.3 | F1648 S1652 | F1648-D1650 PolarHBondContact O-N 2.8Å; D1650-S1652 PolarHBondContact O-N 2.85Å | ||
| 1651 | S | 30 | Very low | 39 | Very low | 73 Ų | 73 | 88.4 Ų | 88.4 | 51% | 0.51 | 49% | 0.487 | S | S | . | . | trans | 3.5 | 105.1 | 144.1 | 57.7 | 0 | 0 | 0 | 0 | 114.1 | D1649 F1653 | D1649-S1651 PolarHBondContact O-N 3.44Å; S1651-F1653 VanDerWaalsContact O-CD2 3.23Å; S1651-F1653 WeakPolarHBondContact O-CD2 3.16Å; S1651-F1653 PolarHBondContact O-N 2.67Å; S1651-F1653 WeakPolarHBondContact OG-CE2 3.32Å | ||
| 1652 | S | 37.8 | Very low | 41 | Very low | 106 Ų | 106 | 84.5 Ų | 84.5 | 74% | 0.741 | 46% | 0.459 | S | S | * | . | trans | -47 | 87.7 | 171.5 | 51.1 | 0 | 0 | 0 | 0 | 112.8 | D1650 L1654 | D1650-S1652 PolarHBondContact O-N 2.85Å; S1652-L1654 PolarHBondContact O-N 2.89Å | ||
| 1653 | F | 40.9 | Very low | 42.8 | Very low | 151 Ų | 151 | 79.8 Ų | 79.8 | 66% | 0.662 | 43% | 0.431 | S | S | * | . | trans | -79.2 | 114.1 | 165.1 | -73.3 | -77.2 | 0 | 0 | 0 | 108 | S1651 D1655 | S1651-F1653 VanDerWaalsContact O-CD2 3.23Å; S1651-F1653 WeakPolarHBondContact O-CD2 3.16Å; S1651-F1653 PolarHBondContact O-N 2.67Å; S1651-F1653 WeakPolarHBondContact OG-CE2 3.32Å; F1653-D1655 PolarHBondContact O-N 2.78Å | ||
| 1654 | L | 49.9 | Very low | 44.7 | Very low | 8 Ų | 8 | 73.2 Ų | 73.2 | 4% | 0.042 | 40% | 0.396 | C | S | . | . | trans | -58.5 | 129.5 | 166.2 | -159.5 | 76.3 | 0 | 0 | 0 | 108.3 | A1450 L1461 W1491 S1652 I1656 I1685 N1686 L1688 | A1450-L1654 HydrophobicContact CB-CD2 3.62Å; L1461-L1654 HydrophobicContact CD1-CD1 3.11Å; L1461-L1654 HydrophobicContact CD1-CD2 3.64Å; L1461-L1654 HydrophobicContact CD1-CG 3.99Å; W1491-L1654 HydrophobicContact CD2-CD1 4.24Å; W1491-L1654 VanDerWaalsContact CE2-CD1 3.46Å; W1491-L1654 HydrophobicContact CH2-CD1 3.56Å; W1491-L1654 HydrophobicContact CZ2-CD1 3.11Å; W1491-L1654 HydrophobicContact CZ2-CG 4.42Å; W1491-L1654 HydrophobicContact CZ3-CD1 4.28Å; S1652-L1654 PolarHBondContact O-N 2.89Å; L1654-I1656 HydrophobicContact CD1-CD1 4.17Å; L1654-I1656 HydrophobicContact CD2-CD1 3.67Å; L1654-I1656 HydrophobicContact CD2-CG1 4.21Å; L1654-I1656 HydrophobicContact CG-CD1 3.84Å; L1654-I1656 HydrophobicContact CG-CG1 4Å; L1654-I1685 CarbonylContact C-O 3.56Å; L1654-I1685 HydrophobicContact CD2-CG2 4.21Å; L1654-I1685 VanDerWaalsContact O-O 3.06Å; L1654-N1686 VanDerWaalsContact O-CA 3.24Å; L1654-N1686 WeakPolarHBondContact O-CA 3.44Å; L1654-L1688 HydrophobicContact CB-CD1 4.22Å; L1654-L1688 HydrophobicContact CB-CG 4.22Å; L1654-L1688 HydrophobicContact CD1-CD1 4.25Å; L1654-L1688 HydrophobicContact CD2-CD2 4.11Å; L1654-L1688 HydrophobicContact CD2-CG 4.14Å | ||
| 1655 | D | 52.6 | Low | 46.3 | Very low | 56 Ų | 56 | 70.8 Ų | 70.8 | 30% | 0.299 | 38% | 0.379 | S | S | . | . | trans | -129.8 | 81.2 | 177.3 | -153.5 | 3.2 | 0 | 0 | 0 | 109.2 | S1488 F1653 R1684 N1686 | S1488-D1655 WeakPolarHBondContact CB-O 2.99Å; S1488-D1655 PolarHBondContact OG-O 3.47Å; F1653-D1655 PolarHBondContact O-N 2.78Å; D1655-R1684 IonicContact OD1-CZ 3.25Å; D1655-R1684 VanDerWaalsContact OD1-CZ 3.25Å; D1655-R1684 IonicContact OD1-NE 2.7Å; D1655-R1684 PolarHBondContact OD1-NE 2.82Å; D1655-R1684 IonicContact OD1-NH2 3.03Å; D1655-R1684 PolarHBondContact OD1-NH2 2.93Å; D1655-R1684 IonicContact OD2-CZ 3.64Å; D1655-R1684 IonicContact OD2-NE 3.87Å; D1655-R1684 IonicContact OD2-NH2 2.67Å; D1655-R1684 PolarHBondContact OD2-NH2 3.48Å; D1655-N1686 PolarHBondContact OD1-OD1 3.37Å | ||
| 1656 | I | 60.4 | Low | 47.8 | Very low | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 117.7 | -178.4 | -63.8 | 176.9 | 0 | 0 | 0 | 109.1 | I1463 W1491 I1493 A1521 L1654 L1658 R1684 I1685 | I1463-I1656 HydrophobicContact CD1-CD1 3.63Å; I1463-I1656 HydrophobicContact CD1-CG2 3.97Å; I1463-I1656 HydrophobicContact CG1-CD1 4.48Å; W1491-I1656 HydrophobicContact CB-CD1 4.05Å; W1491-I1656 HydrophobicContact CB-CG1 3.91Å; W1491-I1656 HydrophobicContact CD2-CD1 3.77Å; W1491-I1656 HydrophobicContact CD2-CG1 4.08Å; W1491-I1656 HydrophobicContact CE3-CD1 4.12Å; W1491-I1656 HydrophobicContact CG-CD1 3.71Å; W1491-I1656 HydrophobicContact CG-CG1 3.56Å; I1493-I1656 HydrophobicContact CD1-CG2 3.43Å; I1493-I1656 VanDerWaalsContact CD1-CG2 3.43Å; I1493-I1656 HydrophobicContact CG1-CG2 4.48Å; A1521-I1656 HydrophobicContact CB-CD1 3.85Å; L1654-I1656 HydrophobicContact CD1-CD1 4.17Å; L1654-I1656 HydrophobicContact CD2-CD1 3.67Å; L1654-I1656 HydrophobicContact CD2-CG1 4.21Å; L1654-I1656 HydrophobicContact CG-CD1 3.84Å; L1654-I1656 HydrophobicContact CG-CG1 4Å; I1656-L1658 HydrophobicContact CG2-CG 4.43Å; I1656-R1684 CarbonylContact O-C 3.51Å; I1656-R1684 WeakPolarHBondContact O-CA 3.34Å; I1656-I1685 HydrophobicContact CB-CB 4.19Å; I1656-I1685 HydrophobicContact CB-CD1 4.35Å; I1656-I1685 HydrophobicContact CG2-CD1 4.07Å; I1656-I1685 PolarHBondContact N-O 3.44Å; I1656-I1685 PolarHBondContact O-N 3.37Å |
| 1657 | N | 62.6 | Low | 48.9 | Very low | 31 Ų | 31 | 62.1 Ų | 62.1 | 17% | 0.166 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 114 | 179.3 | -72.7 | -45.9 | 0 | 0 | 0 | 109.8 | C1486 I1487 H1682 R1684 | C1486-N1657 WeakPolarHBondContact CA-O 3.14Å; I1487-N1657 HydrophobicContact CB-CB 4.06Å; I1487-N1657 HydrophobicContact CD1-CB 4.2Å; I1487-N1657 HydrophobicContact CG1-CB 4.47Å; I1487-N1657 PolarHBondContact N-O 3.43Å; N1657-H1682 PolarHBondContact OD1-CE1 3.09Å; N1657-R1684 WeakPolarHBondContact OD1-CB 3.31Å; N1657-R1684 VanDerWaalsContact OD1-CD 3.3Å; N1657-R1684 WeakPolarHBondContact OD1-CD 3.32Å; N1657-R1684 WeakPolarHBondContact OD1-CG 3.28Å |
| 1658 | L | 66.5 | Low | 49.6 | Very low | 1 Ų | 1 | 59.2 Ų | 59.2 | 1% | 0.005 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 137.8 | 175.7 | -73.2 | 173.9 | 0 | 0 | 0 | 110.5 | V1465 I1484 A1485 I1493 I1656 H1682 L1683 I1685 | V1465-L1658 HydrophobicContact CG2-CD1 3.73Å; I1484-L1658 HydrophobicContact CG2-CD2 4.03Å; A1485-L1658 CarbonylContact O-C 3.57Å; A1485-L1658 WeakPolarHBondContact O-CA 3.36Å; I1493-L1658 HydrophobicContact CD1-CD2 3.45Å; I1493-L1658 VanDerWaalsContact CD1-CD2 3.45Å; I1493-L1658 HydrophobicContact CD1-CG 4.2Å; I1656-L1658 HydrophobicContact CG2-CG 4.43Å; L1658-H1682 CarbonylContact O-C 3.58Å; L1658-H1682 WeakPolarHBondContact O-CA 3.28Å; L1658-L1683 HydrophobicContact CB-CB 4.26Å; L1658-L1683 PolarHBondContact N-O 3.04Å; L1658-L1683 PolarHBondContact O-N 3.1Å; L1658-I1685 HydrophobicContact CD1-CD1 3.81Å; L1658-I1685 HydrophobicContact CG-CD1 4.4Å |
| 1659 | L | 60.2 | Low | 50.7 | Low | 16 Ų | 16 | 58.5 Ų | 58.5 | 8% | 0.084 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 118 | 175.6 | -169.8 | 64.7 | 0 | 0 | 0 | 108.8 | I1484 A1485 I1487 F1630 Q1680 H1682 | I1484-L1659 CarbonylContact C-O 3.51Å; I1484-L1659 VanDerWaalsContact CA-O 3.28Å; I1484-L1659 WeakPolarHBondContact CA-O 3.29Å; A1485-L1659 HydrophobicContact CB-CB 4.35Å; A1485-L1659 PolarHBondContact N-O 3.09Å; A1485-L1659 PolarHBondContact O-N 3.17Å; I1487-L1659 HydrophobicContact CD1-CB 4.03Å; I1487-L1659 HydrophobicContact CG1-CB 4.31Å; F1630-L1659 HydrophobicContact CZ-CD2 4.21Å; L1659-Q1680 HydrophobicContact CD1-CG 3.68Å; L1659-Q1680 HydrophobicContact CG-CG 4.19Å; L1659-H1682 HydrophobicContact CD1-CB 4.4Å |
| 1660 | I | 62.6 | Low | 51.5 | Low | 1 Ų | 1 | 58.3 Ų | 58.3 | 1% | 0.005 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 120.4 | -174.5 | -56.9 | 171 | 0 | 0 | 0 | 108.2 | F1446 V1465 I1481 Q1483 I1484 Q1680 S1681 | F1446-I1660 HydrophobicContact CD1-CD1 3.43Å; F1446-I1660 VanDerWaalsContact CD1-CD1 3.43Å; F1446-I1660 HydrophobicContact CE1-CB 4.16Å; F1446-I1660 HydrophobicContact CE1-CD1 3.41Å; F1446-I1660 VanDerWaalsContact CE1-CD1 3.41Å; F1446-I1660 HydrophobicContact CE1-CG1 4.37Å; F1446-I1660 HydrophobicContact CE1-CG2 3.96Å; F1446-I1660 HydrophobicContact CG-CD1 4.48Å; F1446-I1660 HydrophobicContact CZ-CD1 4.44Å; F1446-I1660 HydrophobicContact CZ-CG2 4.34Å; V1465-I1660 HydrophobicContact CG1-CD1 4.44Å; I1481-I1660 HydrophobicContact CG2-CG2 3.93Å; Q1483-I1660 CarbonylContact O-C 3.57Å; Q1483-I1660 WeakPolarHBondContact O-CA 3.27Å; I1484-I1660 HydrophobicContact CG1-CG1 4.17Å; I1484-I1660 HydrophobicContact CG1-CG2 4.26Å; I1484-I1660 HydrophobicContact CG2-CG1 4.23Å; I1660-Q1680 CarbonylContact O-C 3.43Å; I1660-Q1680 VanDerWaalsContact O-CA 3.27Å; I1660-Q1680 WeakPolarHBondContact O-CA 3.34Å; I1660-S1681 PolarHBondContact N-O 3.01Å; I1660-S1681 PolarHBondContact O-N 3.21Å |
| 1661 | T | 59 | Low | 51.9 | Low | 21 Ų | 21 | 56.3 Ų | 56.3 | 13% | 0.129 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 142.6 | 171.9 | 61.7 | 0 | 0 | 0 | 0 | 109.7 | I1481 M1482 Q1483 G1679 Q1680 | I1481-T1661 CarbonylContact C-O 3.58Å; M1482-T1661 PolarHBondContact N-O 3.39Å; Q1483-T1661 WeakPolarHBondContact CB-OG1 3.1Å; Q1483-T1661 PolarHBondContact N-O 2.95Å; Q1483-T1661 PolarHBondContact N-OG1 3.49Å; Q1483-T1661 VanDerWaalsContact N-OG1 3.15Å; Q1483-T1661 PolarHBondContact O-N 2.77Å; T1661-G1679 WeakPolarHBondContact CA-O 3.37Å; T1661-Q1680 HydrophobicContact CG2-CB 4.29Å; T1661-Q1680 HydrophobicContact CG2-CG 3.97Å |
| 1662 | W | 63.2 | Low | 52.2 | Low | 2 Ų | 2 | 61.1 Ų | 61.1 | 1% | 0.008 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 156.5 | -176.9 | 56.5 | -97.9 | 0 | 0 | 0 | 111.5 | S1443 L1444 F1479 Q1480 I1677 G1679 S1681 | S1443-W1662 WeakPolarHBondContact OG-CZ2 3.27Å; L1444-W1662 HydrophobicContact CD1-CB 4.3Å; L1444-W1662 HydrophobicContact CD1-CD2 4.09Å; L1444-W1662 HydrophobicContact CD1-CG 3.78Å; F1479-W1662 HydrophobicContact CD1-CD2 4.1Å; F1479-W1662 AromaticContact CD1-CE3 3.36Å; F1479-W1662 HydrophobicContact CD1-CE3 3.36Å; F1479-W1662 HydrophobicContact CD1-CH2 4.23Å; F1479-W1662 AromaticContact CD1-CZ3 3.45Å; F1479-W1662 HydrophobicContact CD1-CZ3 3.45Å; F1479-W1662 VanDerWaalsContact CD1-CZ3 3.45Å; F1479-W1662 AromaticContact CE1-CE3 3.75Å; F1479-W1662 HydrophobicContact CE1-CE3 3.75Å; F1479-W1662 AromaticContact CE1-CH2 3.75Å; F1479-W1662 HydrophobicContact CE1-CH2 3.75Å; F1479-W1662 AromaticContact CE1-CZ3 3.28Å; F1479-W1662 HydrophobicContact CE1-CZ3 3.28Å; Q1480-W1662 CarbonylContact O-C 3.54Å; Q1480-W1662 WeakPolarHBondContact O-CA 3.36Å; Q1480-W1662 WeakPolarHBondContact O-CB 3.28Å; W1662-I1677 HydrophobicContact CH2-CG2 4.12Å; W1662-I1677 HydrophobicContact CZ3-CG2 3.93Å; W1662-G1679 PolarHBondContact N-O 2.86Å; W1662-G1679 PolarHBondContact O-N 3.31Å; W1662-S1681 PolarHBondContact NE1-OG 3.13Å |
| 1663 | K | 60.7 | Low | 51.9 | Low | 67 Ų | 67 | 61.9 Ų | 61.9 | 29% | 0.291 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 120.3 | 175.6 | 178.8 | -169.3 | 176 | -171.2 | 0 | 108.7 | F1479 Q1480 M1482 S1676 I1677 W1678 | F1479-K1663 CarbonylContact C-O 3.58Å; Q1480-K1663 PolarHBondContact N-O 2.88Å; Q1480-K1663 PolarHBondContact O-N 2.81Å; M1482-K1663 HydrophobicContact CG-CB 3.92Å; M1482-K1663 HydrophobicContact SD-CB 4.2Å; K1663-S1676 VanDerWaalsContact CE-CB 3.48Å; K1663-I1677 CarbonylContact C-O 3.57Å; K1663-I1677 VanDerWaalsContact CA-O 3.26Å; K1663-I1677 WeakPolarHBondContact CA-O 3.28Å; K1663-W1678 HydrophobicContact CB-CD2 4.17Å; K1663-W1678 HydrophobicContact CB-CE3 4.1Å; K1663-W1678 HydrophobicContact CB-CH2 4.48Å; K1663-W1678 HydrophobicContact CB-CZ3 4.26Å; K1663-W1678 HydrophobicContact CD-CH2 4.1Å; K1663-W1678 HydrophobicContact CD-CZ2 3.74Å; K1663-W1678 HydrophobicContact CG-CD2 4.14Å; K1663-W1678 HydrophobicContact CG-CH2 4.5Å; K1663-W1678 HydrophobicContact CG-CZ2 4.1Å |
| 1664 | G | 61.4 | Low | 51.6 | Low | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 143.2 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112 | N1478 S1676 I1677 | N1478-G1664 CarbonylContact O-C 3.51Å; N1478-G1664 VanDerWaalsContact O-CA 3.27Å; N1478-G1664 WeakPolarHBondContact O-CA 3.25Å; G1664-S1676 CarbonylContact O-C 3.55Å; G1664-S1676 VanDerWaalsContact O-CA 3.32Å; G1664-S1676 WeakPolarHBondContact O-CA 3.38Å; G1664-I1677 PolarHBondContact N-O 3.28Å; G1664-I1677 PolarHBondContact O-N 3.47Å |
| 1665 | S | 58.4 | Low | 51.2 | Low | 44 Ų | 44 | 67 Ų | 67 | 31% | 0.308 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 129.7 | 165.8 | 55.9 | 0 | 0 | 0 | 0 | 109.9 | N1478 | N1478-S1665 PolarHBondContact N-O 2.66Å; N1478-S1665 VanDerWaalsContact N-O 3.13Å; N1478-S1665 PolarHBondContact O-N 3.42Å |
| 1666 | T | 52.1 | Low | 51.1 | Low | 24 Ų | 24 | 66.9 Ų | 66.9 | 15% | 0.147 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 126.4 | 170.4 | 52.7 | 0 | 0 | 0 | 0 | 109.7 | M1477 N1674 I1677 | M1477-T1666 HydrophobicContact CE-CG2 4.49Å; M1477-T1666 HydrophobicContact CG-CG2 3.54Å; M1477-T1666 HydrophobicContact SD-CG2 3.29Å; M1477-T1666 WeakPolarHBondContact SD-CG2 3.39Å; T1666-N1674 PolarHBondContact O-OD1 3.07Å; T1666-I1677 HydrophobicContact CG2-CD1 4.17Å |
| 1667 | E | 46.1 | Very low | 50.6 | Low | 135 Ų | 135 | 68.2 Ų | 68.2 | 63% | 0.631 | 37% | 0.37 | S | S | * | . | trans | -89.9 | 105.5 | 162.5 | -75.4 | -175.5 | 173.9 | 0 | 0 | 108.8 | V1475 | V1475-E1667 WeakPolarHBondContact CG1-O 3.38Š| ||
| 1668 | T | 40.4 | Very low | 50 | Low | 58 Ų | 58 | 73.1 Ų | 73.1 | 36% | 0.356 | 39% | 0.387 | S | S | . | . | trans | -90.2 | 114.7 | 169.5 | 42.9 | 0 | 0 | 0 | 0 | 109 | L1670 T1671 | T1668-L1670 PolarHBondContact O-N 3.09Å; T1668-T1671 PolarHBondContact O-N 2.86Å; T1668-T1671 VanDerWaalsContact O-O 3.07Å; T1668-T1671 PolarHBondContact OG1-O 2.69Å; T1668-T1671 PolarHBondContact OG1-OG1 2.96Å | ||
| 1669 | T | 44.4 | Very low | 49.4 | Very low | 146 Ų | 146 | 73.7 Ų | 73.7 | 90% | 0.896 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -13.9 | -178.6 | 47.8 | 0 | 0 | 0 | 0 | 114.6 | ||
| 1670 | L | 42.3 | Very low | 49.3 | Very low | 164 Ų | 164 | 74.6 Ų | 74.6 | 86% | 0.859 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.7 | -15.8 | -177.1 | -122.3 | 82.8 | 0 | 0 | 0 | 115.1 | T1668 | T1668-L1670 PolarHBondContact O-N 3.09Š|
| 1671 | T | 37.6 | Very low | 49 | Very low | 78 Ų | 78 | 75 Ų | 75 | 48% | 0.479 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -143.2 | 116.9 | 179.6 | 54.2 | 0 | 0 | 0 | 0 | 107.6 | T1668 L1673 | T1668-T1671 PolarHBondContact O-N 2.86Å; T1668-T1671 VanDerWaalsContact O-O 3.07Å; T1668-T1671 PolarHBondContact OG1-O 2.69Å; T1668-T1671 PolarHBondContact OG1-OG1 2.96Å; T1671-L1673 PolarHBondContact O-N 2.76Å |
| 1672 | N | 38 | Very low | 48.8 | Very low | 174 Ų | 174 | 77.4 Ų | 77.4 | 93% | 0.93 | 41% | 0.409 | S | S | * | . | trans | -66.8 | 42.6 | 177.5 | -79.7 | -24.5 | 0 | 0 | 0 | 113.1 | ||||
| 1673 | L | 30.2 | Very low | 48.8 | Very low | 122 Ų | 122 | 78.2 Ų | 78.2 | 64% | 0.639 | 41% | 0.413 | S | S | * | . | trans | -115.7 | 96.6 | 179.1 | -78.4 | 164.4 | 0 | 0 | 0 | 108.9 | T1671 Q1675 | T1671-L1673 PolarHBondContact O-N 2.76Å; L1673-Q1675 PolarHBondContact O-N 3.4Å | ||
| 1674 | N | 35.9 | Very low | 48.9 | Very low | 121 Ų | 121 | 81.6 Ų | 81.6 | 65% | 0.647 | 42% | 0.424 | S | S | * | . | trans | -63.5 | 97.3 | 168.9 | -81.5 | -24.6 | 0 | 0 | 0 | 109.5 | T1666 S1676 | T1666-N1674 PolarHBondContact O-OD1 3.07Å; N1674-S1676 PolarHBondContact O-N 2.76Å | ||
| 1675 | Q | 40.7 | Very low | 49 | Very low | 146 Ų | 146 | 81.9 Ų | 81.9 | 68% | 0.682 | 43% | 0.425 | S | S | * | . | trans | -77.5 | 107.3 | 166.5 | -71.9 | -170.2 | -1.5 | 0 | 0 | 108.6 | L1673 I1677 | L1673-Q1675 PolarHBondContact O-N 3.4Å; Q1675-I1677 PolarHBondContact O-N 2.94Å | ||
| 1676 | S | 49.5 | Very low | 49 | Very low | 53 Ų | 53 | 82.8 Ų | 82.8 | 37% | 0.371 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 119.1 | 173.2 | 62.6 | 0 | 0 | 0 | 0 | 110.3 | K1663 G1664 N1674 W1678 | K1663-S1676 VanDerWaalsContact CE-CB 3.48Å; G1664-S1676 CarbonylContact O-C 3.55Å; G1664-S1676 VanDerWaalsContact O-CA 3.32Å; G1664-S1676 WeakPolarHBondContact O-CA 3.38Å; N1674-S1676 PolarHBondContact O-N 2.76Å; S1676-W1678 PolarHBondContact OG-NE1 2.8Å |
| 1677 | I | 50.6 | Low | 49 | Very low | 29 Ų | 29 | 88.4 Ų | 88.4 | 15% | 0.149 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 138.8 | 171.6 | -59.1 | 168.3 | 0 | 0 | 0 | 107.1 | Q1231 M1477 W1662 K1663 G1664 T1666 Q1675 | Q1231-I1677 HydrophobicContact CG-CG2 4.4Å; M1477-I1677 HydrophobicContact CE-CD1 4.1Å; M1477-I1677 HydrophobicContact SD-CD1 3.61Å; W1662-I1677 HydrophobicContact CH2-CG2 4.12Å; W1662-I1677 HydrophobicContact CZ3-CG2 3.93Å; K1663-I1677 CarbonylContact C-O 3.57Å; K1663-I1677 VanDerWaalsContact CA-O 3.26Å; K1663-I1677 WeakPolarHBondContact CA-O 3.28Å; G1664-I1677 PolarHBondContact N-O 3.28Å; G1664-I1677 PolarHBondContact O-N 3.47Å; T1666-I1677 HydrophobicContact CG2-CD1 4.17Å; Q1675-I1677 PolarHBondContact O-N 2.94Å |
| 1678 | W | 50.7 | Low | 49.3 | Very low | 134 Ų | 134 | 84.5 Ų | 84.5 | 51% | 0.508 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 146.3 | 173.3 | -66.9 | 76.5 | 0 | 0 | 0 | 109.2 | M1482 K1663 S1676 | M1482-W1678 HydrophobicContact CE-CH2 4.46Å; M1482-W1678 HydrophobicContact CG-CZ3 3.88Å; K1663-W1678 HydrophobicContact CB-CD2 4.17Å; K1663-W1678 HydrophobicContact CB-CE3 4.1Å; K1663-W1678 HydrophobicContact CB-CH2 4.48Å; K1663-W1678 HydrophobicContact CB-CZ3 4.26Å; K1663-W1678 HydrophobicContact CD-CH2 4.1Å; K1663-W1678 HydrophobicContact CD-CZ2 3.74Å; K1663-W1678 HydrophobicContact CG-CD2 4.14Å; K1663-W1678 HydrophobicContact CG-CH2 4.5Å; K1663-W1678 HydrophobicContact CG-CZ2 4.1Å; S1676-W1678 PolarHBondContact OG-NE1 2.8Å |
| 1679 | G | 53.9 | Low | 49.9 | Very low | 12 Ų | 12 | 87.2 Ų | 87.2 | 12% | 0.124 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 169.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | T1661 W1662 | T1661-G1679 WeakPolarHBondContact CA-O 3.37Å; W1662-G1679 PolarHBondContact N-O 2.86Å; W1662-G1679 PolarHBondContact O-N 3.31Å |
| 1680 | Q | 57.4 | Low | 50 | Low | 35 Ų | 35 | 82.9 Ų | 82.9 | 16% | 0.164 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 139.1 | 179.6 | -178.3 | 175.2 | 40.9 | 0 | 0 | 108.5 | L1659 I1660 T1661 | L1659-Q1680 HydrophobicContact CD1-CG 3.68Å; L1659-Q1680 HydrophobicContact CG-CG 4.19Å; I1660-Q1680 CarbonylContact O-C 3.43Å; I1660-Q1680 VanDerWaalsContact O-CA 3.27Å; I1660-Q1680 WeakPolarHBondContact O-CA 3.34Å; T1661-Q1680 HydrophobicContact CG2-CB 4.29Å; T1661-Q1680 HydrophobicContact CG2-CG 3.97Å |
| 1681 | S | 55.7 | Low | 50 | Low | 10 Ų | 10 | 81.4 Ų | 81.4 | 7% | 0.07 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 135 | -177 | -58.7 | 0 | 0 | 0 | 0 | 109.3 | F1446 I1660 W1662 | F1446-S1681 WeakPolarHBondContact CE2-OG 3.27Å; F1446-S1681 VanDerWaalsContact CZ-CB 3.41Å; I1660-S1681 PolarHBondContact N-O 3.01Å; I1660-S1681 PolarHBondContact O-N 3.21Å; W1662-S1681 PolarHBondContact NE1-OG 3.13Å |
| 1682 | H | 55.8 | Low | 49.9 | Very low | 71 Ų | 71 | 80.4 Ų | 80.4 | 33% | 0.329 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 127 | -178.4 | -178.3 | -85.1 | 0 | 0 | 0 | 109.4 | I1487 N1657 L1658 L1659 | I1487-H1682 WeakPolarHBondContact CD1-NE2 3.49Å; N1657-H1682 PolarHBondContact OD1-CE1 3.09Å; L1658-H1682 CarbonylContact O-C 3.58Å; L1658-H1682 WeakPolarHBondContact O-CA 3.28Å; L1659-H1682 HydrophobicContact CD1-CB 4.4Å |
| 1683 | L | 63.1 | Low | 49.6 | Very low | 19 Ų | 19 | 81 Ų | 81 | 10% | 0.099 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 115.1 | -176.2 | -177.1 | 63.8 | 0 | 0 | 0 | 109.7 | F1446 A1448 V1465 L1658 I1685 | F1446-L1683 HydrophobicContact CB-CB 4.47Å; F1446-L1683 HydrophobicContact CB-CD1 3.76Å; F1446-L1683 HydrophobicContact CB-CD2 3.93Å; F1446-L1683 HydrophobicContact CB-CG 4.28Å; F1446-L1683 WeakPolarHBondContact O-CD1 3.4Å; A1448-L1683 HydrophobicContact CB-CD1 4.43Å; A1448-L1683 HydrophobicContact CB-CD2 3.36Å; A1448-L1683 HydrophobicContact CB-CG 4.03Å; V1465-L1683 HydrophobicContact CB-CD2 4.49Å; V1465-L1683 HydrophobicContact CG1-CD2 3.54Å; V1465-L1683 HydrophobicContact CG2-CD2 4.25Å; L1658-L1683 HydrophobicContact CB-CB 4.26Å; L1658-L1683 PolarHBondContact N-O 3.04Å; L1658-L1683 PolarHBondContact O-N 3.1Å; L1683-I1685 HydrophobicContact CG-CG1 4.46Å |
| 1684 | R | 62.6 | Low | 49.4 | Very low | 139 Ų | 139 | 80.2 Ų | 80.2 | 53% | 0.525 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 122.4 | 177.9 | -179.6 | 164.7 | -171.9 | -178.8 | 7 | 109.7 | D1655 I1656 N1657 N1686 | D1655-R1684 IonicContact OD1-CZ 3.25Å; D1655-R1684 VanDerWaalsContact OD1-CZ 3.25Å; D1655-R1684 IonicContact OD1-NE 2.7Å; D1655-R1684 PolarHBondContact OD1-NE 2.82Å; D1655-R1684 IonicContact OD1-NH2 3.03Å; D1655-R1684 PolarHBondContact OD1-NH2 2.93Å; D1655-R1684 IonicContact OD2-CZ 3.64Å; D1655-R1684 IonicContact OD2-NE 3.87Å; D1655-R1684 IonicContact OD2-NH2 2.67Å; D1655-R1684 PolarHBondContact OD2-NH2 3.48Å; I1656-R1684 CarbonylContact O-C 3.51Å; I1656-R1684 WeakPolarHBondContact O-CA 3.34Å; N1657-R1684 WeakPolarHBondContact OD1-CB 3.31Å; N1657-R1684 VanDerWaalsContact OD1-CD 3.3Å; N1657-R1684 WeakPolarHBondContact OD1-CD 3.32Å; N1657-R1684 WeakPolarHBondContact OD1-CG 3.28Å; R1684-N1686 WeakPolarHBondContact CG-OD1 3.09Å; R1684-N1686 PolarHBondContact NE-OD1 2.79Å |
| 1685 | I | 62.8 | Low | 48.9 | Very low | 5 Ų | 5 | 79 Ų | 79 | 3% | 0.026 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 105.4 | -175.9 | -53.5 | 164.2 | 0 | 0 | 0 | 107.8 | A1448 A1450 I1463 L1654 I1656 L1658 L1683 | A1448-I1685 HydrophobicContact CB-CD1 3.79Å; A1448-I1685 HydrophobicContact CB-CG1 3.66Å; A1450-I1685 HydrophobicContact CB-CG2 4.02Å; I1463-I1685 HydrophobicContact CD1-CD1 3.96Å; I1463-I1685 HydrophobicContact CG1-CD1 4.41Å; I1463-I1685 HydrophobicContact CG2-CD1 3.43Å; I1463-I1685 VanDerWaalsContact CG2-CD1 3.43Å; L1654-I1685 CarbonylContact C-O 3.56Å; L1654-I1685 HydrophobicContact CD2-CG2 4.21Å; L1654-I1685 VanDerWaalsContact O-O 3.06Å; I1656-I1685 HydrophobicContact CB-CB 4.19Å; I1656-I1685 HydrophobicContact CB-CD1 4.35Å; I1656-I1685 HydrophobicContact CG2-CD1 4.07Å; I1656-I1685 PolarHBondContact N-O 3.44Å; I1656-I1685 PolarHBondContact O-N 3.37Å; L1658-I1685 HydrophobicContact CD1-CD1 3.81Å; L1658-I1685 HydrophobicContact CG-CD1 4.4Å; L1683-I1685 HydrophobicContact CG-CG1 4.46Å |
| 1686 | N | 59.2 | Low | 48.2 | Very low | 63 Ų | 63 | 82.3 Ų | 82.3 | 34% | 0.337 | 42% | 0.415 | S | S | . | . | trans | -108 | -8.6 | -175.7 | -69.9 | -7.8 | 0 | 0 | 0 | 114.6 | L1654 D1655 R1684 | L1654-N1686 VanDerWaalsContact O-CA 3.24Å; L1654-N1686 WeakPolarHBondContact O-CA 3.44Å; D1655-N1686 PolarHBondContact OD1-OD1 3.37Å; R1684-N1686 WeakPolarHBondContact CG-OD1 3.09Å; R1684-N1686 PolarHBondContact NE-OD1 2.79Å | ||
| 1687 | H | 52.7 | Low | 47 | Very low | 142 Ų | 142 | 87.3 Ų | 87.3 | 66% | 0.657 | 44% | 0.437 | S | S | * | . | trans | -123 | 129.5 | -171 | -73 | -54.3 | 0 | 0 | 0 | 111.8 | ||||
| 1688 | L | 52.1 | Low | 45.7 | Very low | 53 Ų | 53 | 96.3 Ų | 96.3 | 28% | 0.277 | 47% | 0.471 | S | S | . | . | B | Isolated β-bridge | trans | -96 | 135.4 | 165.1 | -76.6 | 158.8 | 0 | 0 | 0 | 108.3 | A1450 L1461 L1654 S1690 | A1450-L1688 HydrophobicContact CB-CD2 3.99Å; L1461-L1688 HydrophobicContact CD1-CD2 3.87Å; L1461-L1688 HydrophobicContact CD2-CD2 3.4Å; L1461-L1688 VanDerWaalsContact CD2-CD2 3.4Å; L1461-L1688 HydrophobicContact CG-CD2 4.25Å; L1654-L1688 HydrophobicContact CB-CD1 4.22Å; L1654-L1688 HydrophobicContact CB-CG 4.22Å; L1654-L1688 HydrophobicContact CD1-CD1 4.25Å; L1654-L1688 HydrophobicContact CD2-CD2 4.11Å; L1654-L1688 HydrophobicContact CD2-CG 4.14Å; L1688-S1690 VanDerWaalsContact C-N 3.25Å; L1688-S1690 PolarHBondContact O-N 3.44Å |
| 1689 | N | 53.3 | Low | 44.4 | Very low | 116 Ų | 116 | 97.3 Ų | 97.3 | 62% | 0.62 | 49% | 0.486 | S | S | * | . | S | Bend | trans | -72.6 | -15.2 | 179.7 | -93.3 | -4.6 | 0 | 0 | 0 | 114.2 | V1449 A1450 N1451 | V1449-N1689 WeakPolarHBondContact CG1-ND2 3.34Å; A1450-N1689 PolarHBondContact O-N 3.27Å; A1450-N1689 VanDerWaalsContact O-N 3.17Å; N1451-N1689 WeakPolarHBondContact OD1-CB 3.16Å; N1451-N1689 PolarHBondContact OD1-ND2 2.98Å |
| 1690 | S | 46.5 | Very low | 42.8 | Very low | 55 Ų | 55 | 104 Ų | 104 | 39% | 0.385 | 52% | 0.519 | S | S | . | . | S | Bend | trans | -145 | 141.3 | 178.8 | 54.9 | 0 | 0 | 0 | 0 | 111.4 | L1688 | L1688-S1690 VanDerWaalsContact C-N 3.25Å; L1688-S1690 PolarHBondContact O-N 3.44Å |
| 1691 | P | 42.6 | Very low | 41.1 | Very low | 133 Ų | 133 | 109.1 Ų | 109.1 | 86% | 0.864 | 55% | 0.547 | S | S | * | . | trans | -72.8 | 131.9 | 177.1 | 28.6 | -32.2 | 0 | 0 | 0 | 111.4 | ||||
| 1692 | V | 34.1 | Very low | 39.6 | Very low | 57 Ų | 57 | 119.1 Ų | 119.1 | 35% | 0.345 | 59% | 0.585 | S | S | . | * | trans | -92.4 | 124.3 | 169.3 | -179.8 | 0 | 0 | 0 | 0 | 108.8 | C1452 M1694 | C1452-V1692 HydrophobicContact CB-CG2 4.06Å; C1452-V1692 WeakPolarHBondContact SG-CG2 3.09Å; V1692-M1694 HydrophobicContact CG1-CE 4.14Å | ||
| 1693 | Q | 31.8 | Very low | 38 | Very low | 187 Ų | 187 | 122.7 Ų | 122.7 | 87% | 0.874 | 61% | 0.607 | S | S | * | * | trans | -82.2 | 112.1 | 161.6 | -93.2 | 179.8 | -29.7 | 0 | 0 | 108.3 | ||||
| 1694 | M | 26.8 | Very low | 36 | Very low | 104 Ų | 104 | 128.9 Ų | 128.9 | 51% | 0.512 | 64% | 0.638 | S | S | . | * | trans | -65.5 | 134.1 | 167.9 | -80 | -78.3 | 142.9 | 0 | 0 | 109.5 | N1459 V1692 Y1696 | N1459-M1694 HydrophobicContact CB-CE 4.39Å; N1459-M1694 WeakPolarHBondContact OD1-CE 3.14Å; V1692-M1694 HydrophobicContact CG1-CE 4.14Å; M1694-Y1696 PolarHBondContact O-N 2.8Å; M1694-Y1696 VanDerWaalsContact O-N 3.16Å | ||
| 1695 | P | 25.5 | Very low | 34 | Very low | 96 Ų | 96 | 129.4 Ų | 129.4 | 62% | 0.623 | 65% | 0.651 | S | S | * | * | trans | -69.3 | 113.6 | 178.8 | 25 | -29.1 | 0 | 0 | 0 | 110.4 | ||||
| 1696 | Y | 26.2 | Very low | 32.1 | Very low | 216 Ų | 216 | 135.8 Ų | 135.8 | 85% | 0.847 | 69% | 0.685 | S | S | * | * | trans | -65.2 | 132.8 | 165.8 | -82.4 | -97 | 0 | 0 | 0 | 109.9 | M1694 | M1694-Y1696 PolarHBondContact O-N 2.8Å; M1694-Y1696 VanDerWaalsContact O-N 3.16Å | ||
| 1697 | N | 22.8 | Very low | 30.3 | Very low | 157 Ų | 157 | 141 Ų | 141 | 84% | 0.84 | 71% | 0.712 | S | S | * | * | trans | -132.3 | 92.6 | 161.6 | -128.9 | -6.2 | 0 | 0 | 0 | 107.6 | ||||
| 1698 | Y | 23.7 | Very low | 28.8 | Very low | 219 Ų | 219 | 142.2 Ų | 142.2 | 86% | 0.859 | 72% | 0.715 | S | S | * | * | trans | -115.4 | 123.5 | 163.2 | -109 | -84.4 | 0 | 0 | 0 | 107.9 | ||||
| 1699 | N | 23 | Very low | 27.3 | Very low | 154 Ų | 154 | 146.8 Ų | 146.8 | 82% | 0.824 | 74% | 0.739 | S | S | * | * | trans | -62 | 135 | -179.1 | -107.3 | -24 | 0 | 0 | 0 | 111.5 | N1701 | N1699-N1701 PolarHBondContact O-N 2.89Š| ||
| 1700 | N | 21 | Very low | 25.8 | Very low | 153 Ų | 153 | 146.2 Ų | 146.2 | 82% | 0.818 | 74% | 0.744 | S | S | * | * | trans | -51.1 | 123.6 | 174.4 | -73 | -45.2 | 0 | 0 | 0 | 112.5 | ||||
| 1701 | N | 21.9 | Very low | 24.6 | Very low | 143 Ų | 143 | 153.1 Ų | 153.1 | 77% | 0.765 | 77% | 0.767 | S | S | * | * | trans | -151.1 | 136.3 | 154.1 | -93.1 | -30.2 | 0 | 0 | 0 | 110.1 | N1699 | N1699-N1701 PolarHBondContact O-N 2.89Š| ||
| 1702 | Y | 23.8 | Very low | 23.6 | Very low | 219 Ų | 219 | 158.6 Ų | 158.6 | 86% | 0.859 | 77% | 0.771 | S | S | * | * | trans | 87 | 78.5 | 173.2 | -55.6 | -75.6 | 0 | 0 | 0 | 118.7 | ||||
| 1703 | N | 21.8 | Very low | 22.9 | Very low | 147 Ų | 147 | 165.2 Ų | 165.2 | 79% | 0.786 | 80% | 0.795 | S | S | * | * | 3 | 133.5 | 119.7 | -77.9 | -18.7 | 0 | 0 | 0 | 118.1 | |||||
| 1704 | I | 21.7 | Very low | 22.5 | Very low | 149 Ų | 149 | 166.6 Ų | 166.6 | 76% | 0.764 | 80% | 0.798 | S | S | * | * | 141.7 | 118.3 | 127.4 | -81.1 | 146 | 0 | 0 | 0 | 115.7 | |||||
| 1705 | L | 21.4 | Very low | 22.2 | Very low | 150 Ų | 150 | 170.9 Ų | 170.9 | 79% | 0.785 | 81% | 0.814 | S | S | * | * | trans | 63.9 | 95.2 | 144.9 | -68.6 | 164.7 | 0 | 0 | 0 | 121.2 | ||||
| 1706 | D | 21.8 | Very low | 22 | Very low | 138 Ų | 138 | 175.7 Ų | 175.7 | 74% | 0.738 | 83% | 0.825 | S | S | * | * | 7.2 | 116.7 | 112.9 | -150.5 | 10.9 | 0 | 0 | 0 | 117.2 | |||||
| 1707 | L | 22.5 | Very low | 21.8 | Very low | 172 Ų | 172 | 172 Ų | 172 | 90% | 0.901 | 83% | 0.829 | S | S | * | * | trans | -153.2 | 110.1 | 156.6 | -112.3 | 159 | 0 | 0 | 0 | 111.3 | ||||
| 1708 | K | 20.4 | Very low | 21.6 | Very low | 168 Ų | 168 | 173.8 Ų | 173.8 | 73% | 0.73 | 83% | 0.83 | S | S | * | * | trans | -60.7 | 166.2 | 170.2 | -77.9 | 172.6 | 170.6 | 166.8 | 0 | 113.7 | ||||
| 1709 | L | 20.9 | Very low | 21.6 | Very low | 150 Ų | 150 | 172.2 Ų | 172.2 | 79% | 0.785 | 83% | 0.83 | S | S | * | * | trans | 98 | 109.4 | 140.7 | -81.8 | 143 | 0 | 0 | 0 | 119.9 | ||||
| 1710 | S | 21.8 | Very low | 21.4 | Very low | 103 Ų | 103 | 173.5 Ų | 173.5 | 72% | 0.72 | 83% | 0.831 | S | S | * | * | 100.2 | 115.3 | 114.6 | 76.4 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 1711 | K | 20.5 | Very low | 21.5 | Very low | 201 Ų | 201 | 174 Ų | 174 | 87% | 0.874 | 83% | 0.832 | S | S | * | * | trans | -8.9 | 129 | 148.6 | -62.8 | 172.9 | 177.3 | 175 | 0 | 116.4 | ||||
| 1712 | R | 21.6 | Very low | 21.5 | Very low | 247 Ų | 247 | 173.5 Ų | 173.5 | 93% | 0.932 | 83% | 0.829 | S | S | * | * | trans | -158.3 | 131.9 | 139.5 | -108.2 | 164.5 | -168.1 | -178.5 | 4 | 112.4 | ||||
| 1713 | K | 20.6 | Very low | 21.5 | Very low | 196 Ų | 196 | 169.8 Ų | 169.8 | 85% | 0.852 | 82% | 0.824 | S | S | * | * | trans | -69.2 | 146.8 | 176.4 | -64.9 | 170.9 | 173.4 | 175.6 | 0 | 110.7 | ||||
| 1714 | F | 22.8 | Very low | 21.6 | Very low | 217 Ų | 217 | 172 Ų | 172 | 95% | 0.952 | 83% | 0.826 | S | S | * | * | trans | -133 | 135.6 | 149.5 | -100.1 | -83.3 | 0 | 0 | 0 | 111.2 | ||||
| 1715 | K | 20.8 | Very low | 21.7 | Very low | 193 Ų | 193 | 174.6 Ų | 174.6 | 84% | 0.839 | 83% | 0.832 | S | S | * | * | trans | -86.3 | 151.4 | -173.9 | -82.5 | 173.9 | 170.7 | 175.1 | 0 | 111.6 | ||||
| 1716 | K | 21.4 | Very low | 21.6 | Very low | 198 Ų | 198 | 175 Ų | 175 | 86% | 0.861 | 84% | 0.835 | S | S | * | * | trans | 20.3 | 126.5 | 140.3 | -70.1 | 179.3 | 173.6 | 177.2 | 0 | 118.5 | ||||
| 1717 | C | 21.8 | Very low | 21.6 | Very low | 137 Ų | 137 | 175.5 Ų | 175.5 | 93% | 0.926 | 84% | 0.835 | S | S | * | * | trans | -141.2 | 118.5 | 137.8 | -96.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1718 | K | 18.9 | Very low | 21.5 | Very low | 196 Ų | 196 | 173.7 Ų | 173.7 | 85% | 0.852 | 83% | 0.827 | S | S | * | * | trans | -77.4 | 143.1 | 162.8 | -74.6 | 177.5 | 170.6 | -177.1 | 0 | 108.1 | ||||
| 1719 | H | 22.8 | Very low | 21.5 | Very low | 186 Ų | 186 | 172.4 Ų | 172.4 | 86% | 0.861 | 83% | 0.827 | S | S | * | * | trans | -146.4 | 119.6 | 148.3 | -114.7 | 50.7 | 0 | 0 | 0 | 111.1 | ||||
| 1720 | Q | 19.9 | Very low | 21.6 | Very low | 180 Ų | 180 | 171.4 Ų | 171.4 | 84% | 0.841 | 82% | 0.823 | S | S | * | * | trans | -70.5 | 140.5 | 163.5 | -73.8 | 163.5 | -56 | 0 | 0 | 109.1 | ||||
| 1721 | I | 23.5 | Very low | 21.7 | Very low | 164 Ų | 164 | 172.6 Ų | 172.6 | 84% | 0.841 | 82% | 0.821 | S | S | * | * | trans | -140.7 | 122.9 | 146.4 | -65.4 | -172.8 | 0 | 0 | 0 | 109.6 | ||||
| 1722 | N | 20.5 | Very low | 21.8 | Very low | 132 Ų | 132 | 171.7 Ų | 171.7 | 71% | 0.706 | 82% | 0.817 | S | S | * | * | trans | -66.7 | 148.4 | 167.7 | -75.3 | -36.3 | 0 | 0 | 0 | 112.2 | ||||
| 1723 | N | 24.9 | Very low | 21.8 | Very low | 141 Ų | 141 | 165.8 Ų | 165.8 | 75% | 0.754 | 80% | 0.804 | S | S | * | * | 163.5 | 118.3 | 114.3 | -90 | -30.1 | 0 | 0 | 0 | 114.7 | |||||
| 1724 | K | 22.3 | Very low | 21.9 | Very low | 193 Ų | 193 | 164.8 Ų | 164.8 | 84% | 0.839 | 81% | 0.807 | S | S | * | * | 32.2 | 120.9 | 127.9 | -64.1 | -179.1 | 175.9 | 179.4 | 0 | 121.2 | |||||
| 1725 | K | 25.3 | Very low | 21.9 | Very low | 205 Ų | 205 | 158.6 Ų | 158.6 | 89% | 0.891 | 79% | 0.791 | S | S | * | * | trans | 177.7 | 103.7 | 130.2 | -100.2 | 174.9 | 179 | -178.2 | 0 | 107.6 | ||||
| 1726 | L | 18.7 | Very low | 22 | Very low | 159 Ų | 159 | 157.4 Ų | 157.4 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | 54 | 107.4 | 80.6 | -121.3 | 137.8 | 0 | 0 | 0 | 114.6 | |||||
| 1727 | I | 21.1 | Very low | 21.9 | Very low | 147 Ų | 147 | 155 Ų | 155 | 75% | 0.754 | 79% | 0.79 | S | S | * | * | 150.2 | 125.6 | 129.7 | -74.3 | 163.9 | 0 | 0 | 0 | 113.2 | |||||
| 1728 | N | 21.6 | Very low | 21.9 | Very low | 135 Ų | 135 | 155 Ų | 155 | 72% | 0.722 | 78% | 0.779 | S | S | * | * | trans | 35.2 | 120.9 | 154.5 | -82.9 | -15.5 | 0 | 0 | 0 | 122 | ||||
| 1729 | L | 19.5 | Very low | 21.8 | Very low | 141 Ų | 141 | 157 Ų | 157 | 74% | 0.738 | 78% | 0.781 | S | S | * | * | 57.7 | 93.4 | 75.9 | -83.7 | 153.9 | 0 | 0 | 0 | 113 | |||||
| 1730 | N | 22.6 | Very low | 21.6 | Very low | 129 Ų | 129 | 154.8 Ų | 154.8 | 69% | 0.69 | 77% | 0.774 | S | S | * | * | 167.8 | 129.9 | 110.1 | -86.2 | -17.6 | 0 | 0 | 0 | 112 | |||||
| 1731 | N | 24.1 | Very low | 21.6 | Very low | 127 Ų | 127 | 153.9 Ų | 153.9 | 68% | 0.679 | 77% | 0.77 | S | S | * | * | trans | 97.5 | 123.1 | 133.3 | -72.7 | -1.2 | 0 | 0 | 0 | 122.7 | ||||
| 1732 | F | 22.5 | Very low | 21.3 | Very low | 183 Ų | 183 | 153.2 Ų | 153.2 | 80% | 0.803 | 77% | 0.767 | S | S | * | * | trans | 78.1 | 139.5 | 155.7 | -68.8 | -82.5 | 0 | 0 | 0 | 120.5 | ||||
| 1733 | D | 23.4 | Very low | 21.3 | Very low | 122 Ų | 122 | 153.4 Ų | 153.4 | 65% | 0.652 | 77% | 0.768 | S | S | * | * | cis | -172.3 | 138.7 | -26.5 | 178.8 | 12.3 | 0 | 0 | 0 | 105.2 | ||||
| 1734 | L | 21.4 | Very low | 21 | Very low | 176 Ų | 176 | 157.4 Ų | 157.4 | 92% | 0.921 | 77% | 0.774 | S | S | * | * | trans | -109.4 | 78.4 | -165.9 | -85.3 | 149.1 | 0 | 0 | 0 | 108.9 | ||||
| 1735 | S | 23.1 | Very low | 21 | Very low | 87 Ų | 87 | 153.9 Ų | 153.9 | 61% | 0.608 | 77% | 0.771 | S | S | * | * | trans | -119.1 | 28.8 | 179.2 | 75.6 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1736 | N | 23.1 | Very low | 20.7 | Very low | 168 Ų | 168 | 153.7 Ų | 153.7 | 90% | 0.898 | 77% | 0.77 | S | S | * | * | trans | -98.5 | 84.1 | 159 | -83.7 | -20.6 | 0 | 0 | 0 | 109.6 | I1738 | N1736-I1738 PolarHBondContact O-N 3.24Š| ||
| 1737 | L | 19.6 | Very low | 20.7 | Very low | 147 Ų | 147 | 154.9 Ų | 154.9 | 77% | 0.77 | 77% | 0.769 | S | S | * | * | trans | -22.2 | 111.3 | 146.5 | -77.3 | 152.5 | 0 | 0 | 0 | 112.3 | R1739 | L1737-R1739 PolarHBondContact O-N 3.29Å; L1737-R1739 VanDerWaalsContact O-N 3.13Å | ||
| 1738 | I | 20.9 | Very low | 20.6 | Very low | 136 Ų | 136 | 151.3 Ų | 151.3 | 70% | 0.697 | 75% | 0.754 | S | S | * | * | 32.7 | 78.8 | 109.8 | -51.1 | 173.9 | 0 | 0 | 0 | 112.1 | N1736 I1740 | N1736-I1738 PolarHBondContact O-N 3.24Å; I1738-I1740 HydrophobicContact CG2-CD1 4.03Å; I1738-I1740 HydrophobicContact CG2-CG1 3.82Å | |||
| 1739 | R | 17.7 | Very low | 20.4 | Very low | 240 Ų | 240 | 149.3 Ų | 149.3 | 91% | 0.906 | 74% | 0.744 | S | S | * | * | trans | -109.3 | 102.4 | 140.9 | -99 | -173.3 | -173 | 173 | 4 | 107.4 | L1737 Q1741 | L1737-R1739 PolarHBondContact O-N 3.29Å; L1737-R1739 VanDerWaalsContact O-N 3.13Å; R1739-Q1741 PolarHBondContact O-N 3.4Å | ||
| 1740 | I | 18.9 | Very low | 20.4 | Very low | 139 Ų | 139 | 149.8 Ų | 149.8 | 71% | 0.713 | 74% | 0.736 | S | S | * | * | trans | -55.3 | 101.1 | 170.9 | -65.3 | 163.7 | 0 | 0 | 0 | 107.2 | I1738 L1742 | I1738-I1740 HydrophobicContact CG2-CD1 4.03Å; I1738-I1740 HydrophobicContact CG2-CG1 3.82Å; I1740-L1742 HydrophobicContact CG2-CD1 4.32Å; I1740-L1742 HydrophobicContact CG2-CG 4.04Å | ||
| 1741 | Q | 18.7 | Very low | 20.3 | Very low | 161 Ų | 161 | 147 Ų | 147 | 75% | 0.752 | 73% | 0.727 | S | S | * | * | trans | -99.9 | 98.7 | 168 | -171.5 | 166.2 | -16.6 | 0 | 0 | 106.6 | R1739 N1743 | R1739-Q1741 PolarHBondContact O-N 3.4Å; Q1741-N1743 PolarHBondContact O-N 3.04Å; Q1741-N1743 VanDerWaalsContact O-N 3.07Å | ||
| 1742 | L | 18.3 | Very low | 20 | Very low | 149 Ų | 149 | 149 Ų | 149 | 78% | 0.78 | 73% | 0.732 | S | S | * | * | trans | -72.3 | 93.3 | 173.2 | -79.4 | 157.7 | 0 | 0 | 0 | 108.6 | I1740 | I1740-L1742 HydrophobicContact CG2-CD1 4.32Å; I1740-L1742 HydrophobicContact CG2-CG 4.04Å | ||
| 1743 | N | 20.4 | Very low | 20 | Very low | 136 Ų | 136 | 146.8 Ų | 146.8 | 73% | 0.727 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 118.5 | 166 | -84.9 | -25.4 | 0 | 0 | 0 | 109.3 | Q1741 | Q1741-N1743 PolarHBondContact O-N 3.04Å; Q1741-N1743 VanDerWaalsContact O-N 3.07Å |
| 1744 | Y | 18.5 | Very low | 19.9 | Very low | 225 Ų | 225 | 148.1 Ų | 148.1 | 88% | 0.882 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 127.1 | 167.4 | -90.1 | -89.3 | 0 | 0 | 0 | 110.4 | ||
| 1745 | P | 22.4 | Very low | 19.9 | Very low | 120 Ų | 120 | 148 Ų | 148 | 78% | 0.779 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -87.1 | 145.4 | 179.2 | 32.5 | -30.9 | 0 | 0 | 0 | 112.4 | ||
| 1746 | K | 17.8 | Very low | 19.8 | Very low | 200 Ų | 200 | 150.7 Ų | 150.7 | 87% | 0.87 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 133.1 | 173.6 | -83.4 | -179.7 | 175.1 | 179.1 | 0 | 111.4 | ||
| 1747 | F | 18.7 | Very low | 19.6 | Very low | 184 Ų | 184 | 147.5 Ų | 147.5 | 81% | 0.807 | 73% | 0.728 | S | S | * | * | trans | 15.2 | 134 | 140.7 | -85.5 | -85.6 | 0 | 0 | 0 | 120.5 | ||||
| 1748 | V | 19.6 | Very low | 19.7 | Very low | 73 Ų | 73 | 146.6 Ų | 146.6 | 44% | 0.442 | 72% | 0.724 | S | S | . | * | trans | -172.3 | 105.3 | 151.5 | 137.3 | 0 | 0 | 0 | 0 | 105.9 | T1381 A1382 | T1381-V1748 WeakPolarHBondContact O-CB 3.34Å; T1381-V1748 WeakPolarHBondContact O-CG1 3.43Å; T1381-V1748 WeakPolarHBondContact O-CG2 3.4Å; A1382-V1748 VanDerWaalsContact C-CG2 3.47Å; A1382-V1748 HydrophobicContact CB-CB 4.31Å; A1382-V1748 HydrophobicContact CB-CG1 3.25Å; A1382-V1748 CarbonylContact O-C 3.57Å; A1382-V1748 WeakPolarHBondContact O-CA 3.05Å; A1382-V1748 WeakPolarHBondContact O-CB 3.31Å; A1382-V1748 WeakPolarHBondContact O-CG1 3.49Å; A1382-V1748 WeakPolarHBondContact O-CG2 3.25Å | ||
| 1749 | N | 17.9 | Very low | 19.7 | Very low | 93 Ų | 93 | 145.6 Ų | 145.6 | 50% | 0.497 | 72% | 0.72 | S | S | . | * | 78.6 | 141.8 | 58.4 | -126.1 | 35 | 0 | 0 | 0 | 109.5 | A1382 T1383 A1384 | A1382-N1749 WeakPolarHBondContact O-CB 3.11Å; T1383-N1749 VanDerWaalsContact C-CG 3.43Å; T1383-N1749 WeakPolarHBondContact CB-O 3.47Å; T1383-N1749 WeakPolarHBondContact O-CB 3.33Å; T1383-N1749 PolarHBondContact O-ND2 3.19Å; T1383-N1749 VanDerWaalsContact OG1-C 3.23Å; T1383-N1749 PolarHBondContact OG1-O 3.03Å; A1384-N1749 CarbonylContact O-C 3.44Å; A1384-N1749 VanDerWaalsContact O-CA 3.27Å; A1384-N1749 WeakPolarHBondContact O-CA 3.4Å; A1384-N1749 PolarHBondContact O-OD1 2.67Å | |||
| 1750 | Y | 19.2 | Very low | 19.8 | Very low | 150 Ų | 150 | 140.6 Ų | 140.6 | 59% | 0.588 | 71% | 0.71 | S | S | * | * | B | Isolated β-bridge | trans | -91.9 | 167.2 | -173.5 | -75 | -106.9 | 0 | 0 | 0 | 121.6 | T1383 A1384 P1385 | T1383-Y1750 CarbonylContact C-O 3.53Å; T1383-Y1750 VanDerWaalsContact C-O 3.3Å; T1383-Y1750 WeakPolarHBondContact CA-O 3.28Å; T1383-Y1750 WeakPolarHBondContact CB-O 2.93Å; T1383-Y1750 VanDerWaalsContact CG2-C 3.5Å; T1383-Y1750 VanDerWaalsContact CG2-O 3.23Å; T1383-Y1750 WeakPolarHBondContact CG2-O 2.74Å; A1384-Y1750 VanDerWaalsContact C-CB 3.41Å; A1384-Y1750 VanDerWaalsContact CA-O 3.25Å; A1384-Y1750 WeakPolarHBondContact CA-O 3.24Å; A1384-Y1750 WeakPolarHBondContact CB-O 3.4Å; A1384-Y1750 VanDerWaalsContact N-C 3.32Å; A1384-Y1750 PolarHBondContact N-O 3.41Å; A1384-Y1750 WeakPolarHBondContact O-CB 3.22Å; A1384-Y1750 WeakPolarHBondContact O-CD2 3.23Å; A1384-Y1750 PolarHBondContact O-N 3.27Å; P1385-Y1750 WeakPolarHBondContact O-CD2 3.04Å |
| 1751 | S | 19.6 | Very low | 20 | Very low | 70 Ų | 70 | 140.5 Ų | 140.5 | 49% | 0.49 | 71% | 0.711 | S | S | . | * | 141.5 | 127.6 | 125.2 | 76.3 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 1752 | Q | 19.6 | Very low | 20.2 | Very low | 169 Ų | 169 | 140.6 Ų | 140.6 | 79% | 0.79 | 71% | 0.711 | S | S | * | * | trans | 68.1 | 140.9 | 162.2 | -67.2 | 179 | -26 | 0 | 0 | 115.5 | ||||
| 1753 | N | 21.2 | Very low | 20.3 | Very low | 138 Ų | 138 | 140.5 Ų | 140.5 | 74% | 0.738 | 71% | 0.711 | S | S | * | * | cis | -159 | 154.8 | -4.3 | -114.4 | -9.5 | 0 | 0 | 0 | 105.9 | ||||
| 1754 | N | 21.2 | Very low | 20.3 | Very low | 149 Ų | 149 | 140.4 Ų | 140.4 | 80% | 0.797 | 71% | 0.71 | S | S | * | * | trans | -45.6 | 144.9 | 161.1 | -74 | -29.8 | 0 | 0 | 0 | 111.5 | ||||
| 1755 | E | 21.5 | Very low | 20.7 | Very low | 175 Ų | 175 | 137.1 Ų | 137.1 | 82% | 0.818 | 71% | 0.708 | S | S | * | * | -176.8 | 120.8 | 111.3 | -97.2 | 171.6 | -165.5 | 0 | 0 | 111.6 | |||||
| 1756 | N | 20.3 | Very low | 20.6 | Very low | 142 Ų | 142 | 137.9 Ų | 137.9 | 76% | 0.759 | 71% | 0.706 | S | S | * | * | trans | 44.6 | 111.7 | 135.8 | -67.8 | -14.2 | 0 | 0 | 0 | 119.5 | ||||
| 1757 | C | 20 | Very low | 20.8 | Very low | 101 Ų | 101 | 137 Ų | 137 | 68% | 0.682 | 70% | 0.704 | S | S | * | * | 76.6 | 131.2 | 77.5 | -98.1 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 1758 | N | 20.9 | Very low | 20.9 | Very low | 128 Ų | 128 | 132.2 Ų | 132.2 | 68% | 0.684 | 69% | 0.693 | S | S | * | * | trans | 79.1 | 140.8 | 146.2 | -60.3 | -1 | 0 | 0 | 0 | 115.9 | ||||
| 1759 | D | 21.1 | Very low | 21 | Very low | 116 Ų | 116 | 135.2 Ų | 135.2 | 62% | 0.62 | 71% | 0.707 | S | S | * | * | cis | -166.2 | 145.7 | 5.2 | -106.6 | -31.2 | 0 | 0 | 0 | 107.8 | ||||
| 1760 | I | 20.7 | Very low | 21.2 | Very low | 134 Ų | 134 | 137.5 Ų | 137.5 | 69% | 0.687 | 72% | 0.719 | S | S | * | * | trans | 44.3 | 119.4 | 133.1 | -55.3 | 164.4 | 0 | 0 | 0 | 118.2 | ||||
| 1761 | N | 22.4 | Very low | 21.4 | Very low | 138 Ų | 138 | 136.6 Ų | 136.6 | 74% | 0.738 | 72% | 0.724 | S | S | * | * | trans | -174.8 | 138.4 | 130.2 | -99 | -39.5 | 0 | 0 | 0 | 115.6 | ||||
| 1762 | Q | 24.1 | Very low | 21.5 | Very low | 163 Ų | 163 | 139.7 Ų | 139.7 | 76% | 0.762 | 74% | 0.736 | S | S | * | * | trans | 78.7 | 107.7 | 150.2 | -64.9 | 170.1 | 12.6 | 0 | 0 | 118.8 | ||||
| 1763 | L | 20.2 | Very low | 21.7 | Very low | 146 Ų | 146 | 138.3 Ų | 138.3 | 76% | 0.764 | 74% | 0.739 | S | S | * | * | 86.6 | 115.9 | 70.7 | -94.9 | 157.4 | 0 | 0 | 0 | 114.9 | |||||
| 1764 | N | 20 | Very low | 21.7 | Very low | 135 Ų | 135 | 135.4 Ų | 135.4 | 72% | 0.722 | 73% | 0.73 | S | S | * | * | trans | 50.6 | 122.9 | 147.6 | -75.8 | -4.3 | 0 | 0 | 0 | 121.2 | ||||
| 1765 | N | 25.7 | Very low | 21.7 | Very low | 155 Ų | 155 | 138.7 Ų | 138.7 | 83% | 0.829 | 73% | 0.732 | S | S | * | * | -179.9 | 153.3 | 108.2 | -93.2 | -26.5 | 0 | 0 | 0 | 114.3 | |||||
| 1766 | N | 20.4 | Very low | 21.8 | Very low | 137 Ų | 137 | 136.4 Ų | 136.4 | 73% | 0.733 | 73% | 0.731 | S | S | * | * | trans | -78.3 | 174.9 | -172.7 | -66 | -43.3 | 0 | 0 | 0 | 115.5 | ||||
| 1767 | H | 21.8 | Very low | 21.8 | Very low | 181 Ų | 181 | 141.3 Ų | 141.3 | 84% | 0.838 | 74% | 0.74 | S | S | * | * | trans | 82.2 | 148.1 | 166.4 | -62.6 | -69.6 | 0 | 0 | 0 | 116.2 | ||||
| 1768 | S | 20.7 | Very low | 22 | Very low | 83 Ų | 83 | 141.4 Ų | 141.4 | 58% | 0.58 | 74% | 0.742 | S | S | * | * | cis | -172.1 | 163.6 | -20.1 | 54.3 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 1769 | D | 22.7 | Very low | 22.1 | Very low | 136 Ų | 136 | 139.3 Ų | 139.3 | 73% | 0.727 | 74% | 0.737 | S | S | * | * | trans | 73.4 | 109.4 | 153.1 | -53.6 | -43.1 | 0 | 0 | 0 | 121.5 | ||||
| 1770 | N | 22.6 | Very low | 22.1 | Very low | 142 Ų | 142 | 141 Ų | 141 | 76% | 0.759 | 75% | 0.745 | S | S | * | * | 61.1 | 134.3 | 123.6 | -81.1 | -17.5 | 0 | 0 | 0 | 122.6 | |||||
| 1771 | N | 23 | Very low | 22.4 | Very low | 130 Ų | 130 | 142.9 Ų | 142.9 | 70% | 0.695 | 75% | 0.748 | S | S | * | * | trans | 101.9 | 103.2 | 148.4 | -62.4 | -25 | 0 | 0 | 0 | 118.8 | ||||
| 1772 | N | 22.3 | Very low | 22.5 | Very low | 136 Ų | 136 | 141.8 Ų | 141.8 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | 57.1 | 103 | 122.4 | -64.7 | -14.2 | 0 | 0 | 0 | 118.4 | |||||
| 1773 | T | 22.4 | Very low | 22.4 | Very low | 139 Ų | 139 | 142.4 Ų | 142.4 | 85% | 0.853 | 74% | 0.743 | S | S | * | * | 165.2 | 121.9 | 97.6 | 36.4 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 1774 | S | 21.8 | Very low | 22.6 | Very low | 78 Ų | 78 | 143.4 Ų | 143.4 | 55% | 0.545 | 74% | 0.742 | S | S | . | * | trans | -55.9 | 157.4 | 159.8 | 46.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1775 | Y | 20.6 | Very low | 22.9 | Very low | 217 Ų | 217 | 144.3 Ų | 144.3 | 85% | 0.851 | 74% | 0.739 | S | S | * | * | cis | -148.9 | 124.3 | 44.3 | -77.9 | -89.4 | 0 | 0 | 0 | 111.8 | ||||
| 1776 | T | 23.5 | Very low | 22.8 | Very low | 128 Ų | 128 | 144.8 Ų | 144.8 | 79% | 0.785 | 74% | 0.742 | S | S | * | * | trans | -88.3 | 143.1 | 168 | 35.5 | 0 | 0 | 0 | 0 | 110.7 | S1778 | T1776-S1778 PolarHBondContact O-N 2.94Š| ||
| 1777 | Y | 20.3 | Very low | 22.8 | Very low | 245 Ų | 245 | 147.3 Ų | 147.3 | 96% | 0.961 | 75% | 0.746 | S | S | * | * | trans | -44.5 | 101.8 | 156.1 | -88.2 | -109.8 | 0 | 0 | 0 | 111 | ||||
| 1778 | S | 24.3 | Very low | 22.8 | Very low | 102 Ų | 102 | 147.5 Ų | 147.5 | 71% | 0.713 | 74% | 0.741 | S | S | * | * | trans | -94.1 | 117.6 | 167.1 | 53.3 | 0 | 0 | 0 | 0 | 109.1 | T1776 | T1776-S1778 PolarHBondContact O-N 2.94Š| ||
| 1779 | S | 23.7 | Very low | 22.9 | Very low | 84 Ų | 84 | 153 Ų | 153 | 59% | 0.587 | 76% | 0.757 | S | S | * | * | trans | -49.3 | 153 | 168 | 58.6 | 0 | 0 | 0 | 0 | 113.1 | K1781 | S1779-K1781 PolarHBondContact O-N 3.03Š| ||
| 1780 | L | 21.3 | Very low | 22.8 | Very low | 151 Ų | 151 | 151.2 Ų | 151.2 | 79% | 0.791 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.9 | 21.8 | 170.6 | -120.2 | 141.2 | 0 | 0 | 0 | 115.9 | ||
| 1781 | K | 25.8 | Very low | 22.8 | Very low | 174 Ų | 174 | 149.8 Ų | 149.8 | 76% | 0.757 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.3 | -8.3 | 178.2 | -103.9 | -177.7 | 175.8 | -179.3 | 0 | 114.6 | S1779 | S1779-K1781 PolarHBondContact O-N 3.03Š|
| 1782 | D | 25.1 | Very low | 22.8 | Very low | 115 Ų | 115 | 152.2 Ų | 152.2 | 62% | 0.615 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -108.1 | 4.9 | 176.5 | -68.1 | -32.5 | 0 | 0 | 0 | 114.3 | F1784 | D1782-F1784 PolarHBondContact O-N 2.93Š|
| 1783 | F | 22.9 | Very low | 22.9 | Very low | 177 Ų | 177 | 153 Ų | 153 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.7 | 3.2 | 167.7 | -154.8 | -97.6 | 0 | 0 | 0 | 113.2 | ||
| 1784 | F | 23.4 | Very low | 23 | Very low | 167 Ų | 167 | 154 Ų | 154 | 73% | 0.732 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121 | 21.1 | -179.4 | -76.5 | -68.2 | 0 | 0 | 0 | 114.9 | D1782 | D1782-F1784 PolarHBondContact O-N 2.93Š|
| 1785 | K | 26 | Very low | 23.2 | Very low | 153 Ų | 153 | 156.5 Ų | 156.5 | 67% | 0.665 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -114.7 | -11.7 | -179.4 | -94.6 | -176.5 | 174.7 | -179.5 | 0 | 118.7 | ||
| 1786 | D | 23.8 | Very low | 23.5 | Very low | 165 Ų | 165 | 150.7 Ų | 150.7 | 88% | 0.882 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -105.4 | 18.1 | 178.6 | -71 | -18.3 | 0 | 0 | 0 | 115.1 | ||
| 1787 | F | 20.6 | Very low | 23.5 | Very low | 190 Ų | 190 | 155.5 Ų | 155.5 | 83% | 0.833 | 76% | 0.757 | S | S | * | * | trans | -108 | 62.6 | 155 | -94.5 | -85.1 | 0 | 0 | 0 | 110.4 | ||||
| 1788 | Y | 22.3 | Very low | 24 | Very low | 185 Ų | 185 | 151.7 Ų | 151.7 | 73% | 0.725 | 75% | 0.748 | S | S | * | * | trans | -135 | 55.9 | 157.6 | -83.7 | -75.9 | 0 | 0 | 0 | 110 | ||||
| 1789 | H | 23.5 | Very low | 24.3 | Very low | 198 Ų | 198 | 152.1 Ų | 152.1 | 92% | 0.917 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -153 | 59.1 | 155.5 | -86.8 | -57.9 | 0 | 0 | 0 | 111.1 | ||
| 1790 | S | 20.6 | Very low | 24.6 | Very low | 100 Ų | 100 | 151.7 Ų | 151.7 | 70% | 0.699 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -148.5 | 143.1 | 138.3 | 82.9 | 0 | 0 | 0 | 0 | 109 | ||
| 1791 | P | 21.4 | Very low | 25 | Very low | 111 Ų | 111 | 153.6 Ų | 153.6 | 72% | 0.721 | 74% | 0.735 | S | S | * | * | trans | -96.9 | 130.3 | -163.4 | 35.3 | -28 | 0 | 0 | 0 | 111.5 | ||||
| 1792 | F | 23.4 | Very low | 25.8 | Very low | 181 Ų | 181 | 152.7 Ų | 152.7 | 79% | 0.794 | 73% | 0.731 | S | S | * | * | trans | 168.1 | 59.8 | 136.8 | -92 | -69.3 | 0 | 0 | 0 | 109.6 | ||||
| 1793 | N | 24.2 | Very low | 26.5 | Very low | 152 Ų | 152 | 149.1 Ų | 149.1 | 81% | 0.813 | 72% | 0.715 | S | S | * | * | trans | -91.5 | 91.5 | 141.8 | -103.1 | -21.7 | 0 | 0 | 0 | 106.6 | ||||
| 1794 | Q | 24.9 | Very low | 27.3 | Very low | 162 Ų | 162 | 142.7 Ų | 142.7 | 76% | 0.757 | 69% | 0.687 | S | S | * | * | trans | -127 | 72.8 | 153.1 | -81.6 | -171.3 | -11.2 | 0 | 0 | 107.5 | ||||
| 1795 | L | 26.4 | Very low | 28.6 | Very low | 130 Ų | 130 | 136.6 Ų | 136.6 | 68% | 0.681 | 66% | 0.663 | S | S | * | * | S | Bend | -162 | 130.8 | 120.7 | -122.2 | 85 | 0 | 0 | 0 | 110.2 | |||
| 1796 | P | 26.2 | Very low | 29.6 | Very low | 95 Ų | 95 | 133.8 Ų | 133.8 | 62% | 0.617 | 66% | 0.66 | S | S | * | * | trans | -81.9 | 144.5 | -164 | -10.9 | 29.5 | 0 | 0 | 0 | 114.3 | E1798 Q1799 | P1796-E1798 PolarHBondContact O-N 3.4Å; P1796-Q1799 PolarHBondContact O-N 3.13Å; P1796-Q1799 VanDerWaalsContact O-N 3.17Å | ||
| 1797 | W | 24 | Very low | 31 | Very low | 228 Ų | 228 | 127.6 Ų | 127.6 | 86% | 0.864 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.2 | -3.2 | 177.2 | -166.9 | -97.5 | 0 | 0 | 0 | 115.8 | T1800 | W1797-T1800 PolarHBondContact O-OG1 3.38Å; W1797-T1800 VanDerWaalsContact O-OG1 3.11Å |
| 1798 | E | 29.5 | Very low | 32.7 | Very low | 166 Ų | 166 | 121.2 Ų | 121.2 | 78% | 0.776 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.5 | -14.7 | 173.8 | -70.2 | -157.7 | 157.5 | 0 | 0 | 114.2 | P1796 | P1796-E1798 PolarHBondContact O-N 3.4Š|
| 1799 | Q | 30.9 | Very low | 34.2 | Very low | 110 Ų | 110 | 112.4 Ų | 112.4 | 51% | 0.514 | 57% | 0.571 | S | S | . | * | S | Bend | trans | -79.9 | -23.1 | 175.3 | -82.5 | -174.4 | -10.7 | 0 | 0 | 113.9 | P1796 K1801 K1802 C1803 | P1796-Q1799 PolarHBondContact O-N 3.13Å; P1796-Q1799 VanDerWaalsContact O-N 3.17Å; Q1799-K1801 VanDerWaalsContact C-N 3.29Å; Q1799-K1801 PolarHBondContact O-N 2.94Å; Q1799-K1802 WeakPolarHBondContact O-CB 3.49Å; Q1799-K1802 PolarHBondContact O-N 2.91Å; Q1799-C1803 PolarHBondContact O-SG 2.84Å |
| 1800 | T | 30.3 | Very low | 36 | Very low | 76 Ų | 76 | 106.2 Ų | 106.2 | 47% | 0.466 | 54% | 0.543 | S | S | . | . | G | 310 helix | trans | -66.8 | -29.8 | 179 | 49.4 | 0 | 0 | 0 | 0 | 112.6 | W1797 K1802 C1803 | W1797-T1800 PolarHBondContact O-OG1 3.38Å; W1797-T1800 VanDerWaalsContact O-OG1 3.11Å; T1800-K1802 VanDerWaalsContact C-N 3.27Å; T1800-K1802 PolarHBondContact O-N 2.72Å; T1800-C1803 PolarHBondContact O-N 3.4Å |
| 1801 | K | 30.5 | Very low | 38.2 | Very low | 190 Ų | 190 | 101.6 Ų | 101.6 | 83% | 0.826 | 51% | 0.51 | S | S | * | . | G | 310 helix | trans | -69.1 | -20.8 | 169.8 | -93.8 | -172.5 | 176.7 | -179.9 | 0 | 113.8 | Q1799 C1803 | Q1799-K1801 VanDerWaalsContact C-N 3.29Å; Q1799-K1801 PolarHBondContact O-N 2.94Å; K1801-C1803 VanDerWaalsContact C-N 3.35Å |
| 1802 | K | 42.9 | Very low | 40.2 | Very low | 155 Ų | 155 | 99.1 Ų | 99.1 | 67% | 0.674 | 49% | 0.488 | S | S | * | . | G | 310 helix | trans | -84.3 | -8.4 | 176.8 | -68.8 | -173.6 | 176.6 | -177.9 | 0 | 113.4 | Q1799 T1800 Q1908 | Q1799-K1802 WeakPolarHBondContact O-CB 3.49Å; Q1799-K1802 PolarHBondContact O-N 2.91Å; T1800-K1802 VanDerWaalsContact C-N 3.27Å; T1800-K1802 PolarHBondContact O-N 2.72Å; K1802-Q1908 PolarHBondContact O-OE1 3.44Å |
| 1803 | C | 38.2 | Very low | 42.1 | Very low | 41 Ų | 41 | 91.3 Ų | 91.3 | 28% | 0.277 | 46% | 0.455 | S | S | . | . | S | Bend | trans | -93.9 | -6.4 | -177.1 | -62.6 | 0 | 0 | 0 | 0 | 113.7 | Q1799 T1800 K1801 P1907 Q1908 F1912 | Q1799-C1803 PolarHBondContact O-SG 2.84Å; T1800-C1803 PolarHBondContact O-N 3.4Å; K1801-C1803 VanDerWaalsContact C-N 3.35Å; C1803-P1907 CarbonylContact O-C 3.52Å; C1803-P1907 VanDerWaalsContact O-CA 3.31Å; C1803-P1907 WeakPolarHBondContact O-CA 3.27Å; C1803-Q1908 PolarHBondContact O-N 3.04Å; C1803-F1912 HydrophobicContact CB-CE1 3.99Å; C1803-F1912 HydrophobicContact CB-CZ 4.45Å |
| 1804 | F | 40.1 | Very low | 43.8 | Very low | 42 Ų | 42 | 87.5 Ų | 87.5 | 18% | 0.184 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 130.6 | -172.8 | -71.9 | -81.9 | 0 | 0 | 0 | 112.4 | L1905 A1906 P1907 F1917 | F1804-L1905 HydrophobicContact CB-CB 4.03Å; F1804-L1905 HydrophobicContact CB-CD1 4.05Å; F1804-L1905 HydrophobicContact CB-CD2 3.89Å; F1804-L1905 HydrophobicContact CB-CG 4.18Å; F1804-L1905 HydrophobicContact CD1-CB 3.9Å; F1804-L1905 HydrophobicContact CG-CB 4.23Å; F1804-L1905 HydrophobicContact CG-CD1 4.39Å; F1804-A1906 CarbonylContact C-O 3.55Å; F1804-A1906 WeakPolarHBondContact CA-O 2.92Å; F1804-P1907 HydrophobicContact CD1-CB 4.4Å; F1804-P1907 HydrophobicContact CE1-CB 3.99Å; F1804-F1917 HydrophobicContact CE1-CE1 4.42Å; F1804-F1917 HydrophobicContact CE1-CZ 4.38Å; F1804-F1917 HydrophobicContact CE2-CE1 4.21Å; F1804-F1917 HydrophobicContact CE2-CE2 4.39Å; F1804-F1917 AromaticContact CE2-CZ 3.69Å; F1804-F1917 HydrophobicContact CE2-CZ 3.69Å; F1804-F1917 HydrophobicContact CZ-CD1 4.38Å; F1804-F1917 AromaticContact CZ-CE1 3.55Å; F1804-F1917 HydrophobicContact CZ-CE1 3.55Å; F1804-F1917 AromaticContact CZ-CE2 3.75Å; F1804-F1917 HydrophobicContact CZ-CE2 3.75Å; F1804-F1917 AromaticContact CZ-CZ 3.23Å; F1804-F1917 HydrophobicContact CZ-CZ 3.23Å |
| 1805 | V | 50.3 | Low | 45.4 | Very low | 39 Ų | 39 | 81.7 Ų | 81.7 | 24% | 0.236 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 129.2 | 171.9 | -178.1 | 0 | 0 | 0 | 0 | 109 | I1807 F1833 A1906 Q1908 | V1805-I1807 PolarHBondContact O-N 3.22Å; V1805-F1833 HydrophobicContact CG1-CZ 4.27Å; V1805-A1906 PolarHBondContact N-O 2.84Å; V1805-A1906 PolarHBondContact O-N 3.18Å; V1805-Q1908 HydrophobicContact CG2-CB 4.11Å; V1805-Q1908 HydrophobicContact CG2-CG 4.23Å |
| 1806 | P | 48.1 | Very low | 46.5 | Very low | 93 Ų | 93 | 77.2 Ų | 77.2 | 60% | 0.604 | 38% | 0.383 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 124.9 | 171.4 | 27.1 | -31.8 | 0 | 0 | 0 | 110.6 | A1904 L1905 | P1806-A1904 CarbonylContact C-O 3.52Å; P1806-A1904 VanDerWaalsContact CA-O 3.31Å; P1806-A1904 WeakPolarHBondContact CA-O 3.2Å; P1806-L1905 HydrophobicContact CB-CD2 4.02Å |
| 1807 | I | 52.5 | Low | 47.5 | Very low | 35 Ų | 35 | 76.8 Ų | 76.8 | 18% | 0.179 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 135.3 | 174.8 | -59.8 | -176.4 | 0 | 0 | 0 | 108.8 | V1805 M1827 A1904 A1906 | V1805-I1807 PolarHBondContact O-N 3.22Å; I1807-M1827 HydrophobicContact CD1-CE 4.2Å; I1807-M1827 HydrophobicContact CG2-CE 3.84Å; I1807-M1827 HydrophobicContact CG2-SD 4.48Å; I1807-A1904 PolarHBondContact N-O 3.44Å; I1807-A1904 PolarHBondContact O-N 3.31Å; I1807-A1906 HydrophobicContact CD1-CB 3.43Å; I1807-A1906 VanDerWaalsContact CD1-CB 3.43Å; I1807-A1906 HydrophobicContact CG1-CB 4.07Å |
| 1808 | S | 56.1 | Low | 48 | Very low | 56 Ų | 56 | 72.6 Ų | 72.6 | 39% | 0.392 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 126.6 | 170.9 | -56 | 0 | 0 | 0 | 0 | 109.9 | L1902 | S1808-L1902 CarbonylContact C-O 3.53Å; S1808-L1902 WeakPolarHBondContact CA-O 3.2Å |
| 1809 | V | 54.7 | Low | 48.3 | Very low | 1 Ų | 1 | 76.3 Ų | 76.3 | 1% | 0.006 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 133.3 | -179.4 | -169.7 | 0 | 0 | 0 | 0 | 108.5 | L1825 M1827 T1901 L1902 A1904 L1960 | V1809-L1825 HydrophobicContact CG1-CB 3.96Å; V1809-L1825 HydrophobicContact CG1-CD2 3.88Å; V1809-L1825 HydrophobicContact CG1-CG 4.46Å; V1809-M1827 HydrophobicContact CB-SD 4.28Å; V1809-M1827 HydrophobicContact CG1-SD 3.89Å; V1809-M1827 HydrophobicContact CG2-SD 3.56Å; V1809-M1827 VanDerWaalsContact CG2-SD 3.56Å; V1809-T1901 CarbonylContact O-C 3.42Å; V1809-T1901 WeakPolarHBondContact O-CA 3.45Å; V1809-L1902 PolarHBondContact N-O 3.16Å; V1809-L1902 PolarHBondContact O-N 3.14Å; V1809-A1904 HydrophobicContact CG2-CB 3.87Å; V1809-L1960 HydrophobicContact CG2-CD2 3.46Å; V1809-L1960 VanDerWaalsContact CG2-CD2 3.46Å |
| 1810 | Q | 61.8 | Low | 48.5 | Very low | 68 Ų | 68 | 75 Ų | 75 | 32% | 0.318 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 121.9 | 174.2 | -69.8 | -158.3 | -26.1 | 0 | 0 | 110.5 | L1825 D1826 L1900 | Q1810-L1825 CarbonylContact O-C 3.55Å; Q1810-L1825 WeakPolarHBondContact O-CA 3.12Å; Q1810-D1826 HydrophobicContact CB-CB 4.41Å; Q1810-D1826 PolarHBondContact N-O 3.46Å; Q1810-D1826 PolarHBondContact O-N 3.28Å; Q1810-L1900 CarbonylContact C-O 3.48Å; Q1810-L1900 WeakPolarHBondContact CA-O 3.29Å |
| 1811 | A | 64.9 | Low | 49 | Very low | 2 Ų | 2 | 75.4 Ų | 75.4 | 2% | 0.017 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 113.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | V1823 Q1824 L1825 C1899 L1900 L1902 | A1811-V1823 HydrophobicContact CB-CG1 3.85Å; A1811-Q1824 CarbonylContact C-O 3.49Å; A1811-Q1824 VanDerWaalsContact CA-O 3.3Å; A1811-Q1824 WeakPolarHBondContact CA-O 3.22Å; A1811-L1825 HydrophobicContact CB-CD2 3.62Å; A1811-C1899 CarbonylContact O-C 3.58Å; A1811-C1899 WeakPolarHBondContact O-CA 3.39Å; A1811-L1900 HydrophobicContact CB-CB 4.29Å; A1811-L1900 PolarHBondContact N-O 2.98Å; A1811-L1900 PolarHBondContact O-N 3.45Å; A1811-L1902 HydrophobicContact CB-CD1 3.69Å; A1811-L1902 HydrophobicContact CB-CG 4.15Å |
| 1812 | K | 63.3 | Low | 49.7 | Very low | 59 Ų | 59 | 70 Ų | 70 | 26% | 0.257 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 115.5 | 171 | -69.6 | 170.4 | -174.5 | 148.2 | 0 | 109.3 | Y1814 V1823 Q1824 D1826 V1897 K1898 C1899 | K1812-Y1814 HydrophobicContact CB-CD2 4.42Å; K1812-Y1814 HydrophobicContact CB-CE2 3.61Å; K1812-Y1814 WeakPolarHBondContact O-CD2 3.21Å; K1812-V1823 WeakPolarHBondContact O-CA 3.31Å; K1812-Q1824 HydrophobicContact CB-CB 4.42Å; K1812-Q1824 PolarHBondContact N-O 2.87Å; K1812-Q1824 PolarHBondContact O-N 3.18Å; K1812-D1826 IonicContact NZ-OD2 3.52Å; K1812-D1826 PolarHBondContact NZ-OD2 3.24Å; K1812-V1897 HydrophobicContact CB-CG1 4.14Å; K1812-V1897 HydrophobicContact CG-CG1 4.47Å; K1812-K1898 CarbonylContact C-O 3.53Å; K1812-K1898 WeakPolarHBondContact CA-O 3.41Å; K1812-C1899 WeakPolarHBondContact CG-SG 3.23Å |
| 1813 | I | 64.3 | Low | 50 | Low | 18 Ų | 18 | 63.3 Ų | 63.3 | 9% | 0.092 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 118.9 | 176.9 | -52.9 | -171.9 | 0 | 0 | 0 | 108.7 | I1821 V1823 F1890 L1892 V1897 K1898 L1900 | I1813-I1821 HydrophobicContact CG2-CG2 3.32Å; I1813-V1823 HydrophobicContact CG1-CG1 4.28Å; I1813-V1823 HydrophobicContact CG1-CG2 4.09Å; I1813-V1823 HydrophobicContact CG2-CG2 4.4Å; I1813-F1890 HydrophobicContact CD1-CD2 4.42Å; I1813-L1892 HydrophobicContact CB-CD1 4.22Å; I1813-L1892 HydrophobicContact CG2-CD1 3.53Å; I1813-V1897 WeakPolarHBondContact O-CA 3.11Å; I1813-K1898 PolarHBondContact N-O 3.43Å; I1813-K1898 PolarHBondContact O-N 2.8Å; I1813-K1898 VanDerWaalsContact O-N 3.13Å; I1813-L1900 HydrophobicContact CD1-CD1 3.24Å; I1813-L1900 HydrophobicContact CG1-CD1 3.94Å |
| 1814 | Y | 60.2 | Low | 50.6 | Low | 72 Ų | 72 | 64.1 Ų | 64.1 | 28% | 0.282 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 122.7 | 178.5 | -62.8 | -94.2 | 0 | 0 | 0 | 110.4 | K1812 S1816 I1822 Q1824 V1897 | K1812-Y1814 HydrophobicContact CB-CD2 4.42Å; K1812-Y1814 HydrophobicContact CB-CE2 3.61Å; K1812-Y1814 WeakPolarHBondContact O-CD2 3.21Å; Y1814-S1816 PolarHBondContact O-N 3.15Å; Y1814-S1816 VanDerWaalsContact O-N 3.14Å; Y1814-I1822 PolarHBondContact N-O 3.35Å; Y1814-Q1824 HydrophobicContact CE2-CB 4Å; Y1814-V1897 HydrophobicContact CD1-CB 4.46Å; Y1814-V1897 HydrophobicContact CD1-CG1 4.23Å; Y1814-V1897 HydrophobicContact CD1-CG2 3.46Å; Y1814-V1897 VanDerWaalsContact CD1-CG2 3.46Å; Y1814-V1897 HydrophobicContact CE1-CB 4.43Å; Y1814-V1897 HydrophobicContact CE1-CG1 3.96Å; Y1814-V1897 HydrophobicContact CE1-CG2 3.54Å; Y1814-V1897 HydrophobicContact CG-CG2 4.41Å |
| 1815 | N | 57.6 | Low | 51 | Low | 40 Ų | 40 | 63.1 Ų | 63.1 | 21% | 0.214 | 33% | 0.328 | C | S | . | . | trans | -83.8 | 73.3 | 163.3 | -169.1 | 6.1 | 0 | 0 | 0 | 109.5 | L1892 Q1893 Y1895 Q1896 | N1815-L1892 HydrophobicContact CB-CB 3.78Å; N1815-L1892 HydrophobicContact CB-CD1 4.25Å; N1815-L1892 PolarHBondContact ND2-O 2.91Å; N1815-Q1893 PolarHBondContact ND2-O 3.31Å; N1815-Y1895 PolarHBondContact O-N 3.47Å; N1815-Q1896 PolarHBondContact N-O 3.47Å | ||
| 1816 | S | 50.3 | Low | 51.2 | Low | 36 Ų | 36 | 62.9 Ų | 62.9 | 25% | 0.252 | 33% | 0.326 | S | S | . | . | trans | -65.2 | 132.7 | 162.1 | 56.1 | 0 | 0 | 0 | 0 | 107.1 | Y1814 M1818 | Y1814-S1816 PolarHBondContact O-N 3.15Å; Y1814-S1816 VanDerWaalsContact O-N 3.14Å; S1816-M1818 CarbonylContact O-C 3.57Å; S1816-M1818 PolarHBondContact O-N 3.5Å; S1816-M1818 VanDerWaalsContact O-O 3.14Å; S1816-M1818 PolarHBondContact OG-O 2.97Å | ||
| 1817 | S | 46.2 | Very low | 51.2 | Low | 86 Ų | 86 | 61.2 Ų | 61.2 | 60% | 0.601 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -55 | -4.8 | 176.8 | 48.7 | 0 | 0 | 0 | 0 | 115 | ||
| 1818 | M | 36.1 | Very low | 50.9 | Low | 139 Ų | 139 | 64.2 Ų | 64.2 | 69% | 0.685 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -96.7 | 119.2 | 172.9 | -59.9 | -67 | -74.5 | 0 | 0 | 109.7 | S1816 | S1816-M1818 CarbonylContact O-C 3.57Å; S1816-M1818 PolarHBondContact O-N 3.5Å; S1816-M1818 VanDerWaalsContact O-O 3.14Å; S1816-M1818 PolarHBondContact OG-O 2.97Å |
| 1819 | W | 35.5 | Very low | 50 | Low | 245 Ų | 245 | 66 Ų | 66 | 93% | 0.928 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -64.8 | 140.5 | 164 | -95.2 | 60.1 | 0 | 0 | 0 | 109.6 | ||
| 1820 | P | 34.2 | Very low | 48.9 | Very low | 82 Ų | 82 | 74.8 Ų | 74.8 | 53% | 0.532 | 37% | 0.37 | S | S | . | . | S | Bend | cis | -88.1 | 162.6 | 0.5 | 34.2 | -33.1 | 0 | 0 | 0 | 114.4 | ||
| 1821 | I | 41.6 | Very low | 47.5 | Very low | 85 Ų | 85 | 78.5 Ų | 78.5 | 44% | 0.436 | 39% | 0.392 | S | S | . | . | P | Polyproline II helix | trans | -60.6 | 131.4 | 176.4 | -64.2 | 171.6 | 0 | 0 | 0 | 110.6 | I1813 | I1813-I1821 HydrophobicContact CG2-CG2 3.32Š|
| 1822 | I | 45.7 | Very low | 45.8 | Very low | 76 Ų | 76 | 86.7 Ų | 86.7 | 39% | 0.39 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 127 | 179.2 | -58 | 173.3 | 0 | 0 | 0 | 109.5 | Y1814 | Y1814-I1822 PolarHBondContact N-O 3.35Å |
| 1823 | V | 47.8 | Very low | 44 | Very low | 14 Ų | 14 | 92 Ų | 92 | 9% | 0.085 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 116.2 | 173.2 | -174.3 | 0 | 0 | 0 | 0 | 109.3 | A1811 K1812 I1813 W1882 | A1811-V1823 HydrophobicContact CB-CG1 3.85Å; K1812-V1823 WeakPolarHBondContact O-CA 3.31Å; I1813-V1823 HydrophobicContact CG1-CG1 4.28Å; I1813-V1823 HydrophobicContact CG1-CG2 4.09Å; I1813-V1823 HydrophobicContact CG2-CG2 4.4Å; V1823-W1882 HydrophobicContact CG2-CE3 4.34Å |
| 1824 | Q | 52.3 | Low | 42.1 | Very low | 59 Ų | 59 | 99.8 Ų | 99.8 | 28% | 0.276 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 121.8 | 176.1 | 178 | 174.3 | -14.5 | 0 | 0 | 110.2 | A1811 K1812 Y1814 | A1811-Q1824 CarbonylContact C-O 3.49Å; A1811-Q1824 VanDerWaalsContact CA-O 3.3Å; A1811-Q1824 WeakPolarHBondContact CA-O 3.22Å; K1812-Q1824 HydrophobicContact CB-CB 4.42Å; K1812-Q1824 PolarHBondContact N-O 2.87Å; K1812-Q1824 PolarHBondContact O-N 3.18Å; Y1814-Q1824 HydrophobicContact CE2-CB 4Å |
| 1825 | L | 48.6 | Very low | 40.4 | Very low | 20 Ų | 20 | 107.6 Ų | 107.6 | 11% | 0.105 | 52% | 0.515 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 114.1 | 177.1 | -63.7 | 169 | 0 | 0 | 0 | 111.1 | V1809 Q1810 A1811 L1880 L1902 | V1809-L1825 HydrophobicContact CG1-CB 3.96Å; V1809-L1825 HydrophobicContact CG1-CD2 3.88Å; V1809-L1825 HydrophobicContact CG1-CG 4.46Å; Q1810-L1825 CarbonylContact O-C 3.55Å; Q1810-L1825 WeakPolarHBondContact O-CA 3.12Å; A1811-L1825 HydrophobicContact CB-CD2 3.62Å; L1825-L1880 HydrophobicContact CB-CB 4.42Å; L1825-L1880 HydrophobicContact CD1-CB 4.2Å; L1825-L1880 PolarHBondContact N-O 3.39Å; L1825-L1902 HydrophobicContact CD2-CD1 3.93Å |
| 1826 | D | 54.3 | Low | 38.7 | Very low | 35 Ų | 35 | 114.4 Ų | 114.4 | 19% | 0.187 | 55% | 0.546 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 119.3 | 171.9 | -83.3 | -25.9 | 0 | 0 | 0 | 110.2 | Q1810 K1812 N1828 | Q1810-D1826 HydrophobicContact CB-CB 4.41Å; Q1810-D1826 PolarHBondContact N-O 3.46Å; Q1810-D1826 PolarHBondContact O-N 3.28Å; K1812-D1826 IonicContact NZ-OD2 3.52Å; K1812-D1826 PolarHBondContact NZ-OD2 3.24Å; D1826-N1828 PolarHBondContact O-N 2.78Å; D1826-N1828 VanDerWaalsContact O-N 3.15Å |
| 1827 | M | 47.1 | Very low | 37.3 | Very low | 58 Ų | 58 | 117.9 Ų | 117.9 | 29% | 0.286 | 57% | 0.57 | S | S | . | * | trans | -84 | 78.8 | 175.6 | -66.8 | -73.7 | -75.4 | 0 | 0 | 110.1 | I1807 V1809 N1829 L1960 | I1807-M1827 HydrophobicContact CD1-CE 4.2Å; I1807-M1827 HydrophobicContact CG2-CE 3.84Å; I1807-M1827 HydrophobicContact CG2-SD 4.48Å; V1809-M1827 HydrophobicContact CB-SD 4.28Å; V1809-M1827 HydrophobicContact CG1-SD 3.89Å; V1809-M1827 HydrophobicContact CG2-SD 3.56Å; V1809-M1827 VanDerWaalsContact CG2-SD 3.56Å; M1827-N1829 PolarHBondContact O-N 3.16Å; M1827-L1960 HydrophobicContact CE-CD1 4Å; M1827-L1960 HydrophobicContact CE-CD2 4.19Å; M1827-L1960 HydrophobicContact SD-CD1 4.16Å; M1827-L1960 HydrophobicContact SD-CD2 3.7Å | ||
| 1828 | N | 45.8 | Very low | 36.2 | Very low | 97 Ų | 97 | 121 Ų | 121 | 52% | 0.519 | 58% | 0.579 | S | S | . | * | trans | -92.1 | 90.9 | 179.7 | -81.3 | -19.2 | 0 | 0 | 0 | 111.4 | D1826 | D1826-N1828 PolarHBondContact O-N 2.78Å; D1826-N1828 VanDerWaalsContact O-N 3.15Å | ||
| 1829 | N | 37.1 | Very low | 35.6 | Very low | 94 Ų | 94 | 120.2 Ų | 120.2 | 50% | 0.503 | 58% | 0.582 | S | S | . | * | trans | -154 | 82.1 | 158.2 | -133.5 | -8.6 | 0 | 0 | 0 | 111.5 | M1827 D1831 | M1827-N1829 PolarHBondContact O-N 3.16Å; N1829-D1831 VanDerWaalsContact C-N 3.3Å | ||
| 1830 | K | 32 | Very low | 34.9 | Very low | 186 Ų | 186 | 117.5 Ų | 117.5 | 81% | 0.809 | 58% | 0.579 | S | S | * | * | trans | -73.6 | -15.5 | 174.8 | -84 | -174 | 173.7 | 179.3 | 0 | 113.7 | ||||
| 1831 | D | 33.5 | Very low | 34.4 | Very low | 146 Ų | 146 | 122.4 Ų | 122.4 | 78% | 0.781 | 60% | 0.595 | S | S | * | * | S | Bend | trans | -114.1 | 17.6 | -157 | -64.4 | -24.3 | 0 | 0 | 0 | 116.9 | N1829 | N1829-D1831 VanDerWaalsContact C-N 3.3Š|
| 1832 | K | 28 | Very low | 33.6 | Very low | 174 Ų | 174 | 124.4 Ų | 124.4 | 76% | 0.757 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -131.9 | 6 | -178.1 | -87.5 | -169.1 | 177.6 | -178.1 | 0 | 118.8 | ||
| 1833 | F | 26.5 | Very low | 32.4 | Very low | 170 Ų | 170 | 129.1 Ų | 129.1 | 75% | 0.746 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -110.9 | 5.5 | 176.1 | -83.2 | -75.9 | 0 | 0 | 0 | 115.4 | V1805 | V1805-F1833 HydrophobicContact CG1-CZ 4.27Š|
| 1834 | E | 24.6 | Very low | 31.2 | Very low | 181 Ų | 181 | 133.6 Ų | 133.6 | 85% | 0.846 | 67% | 0.668 | S | S | * | * | trans | -103.7 | 97 | 167.5 | -70.2 | -174.7 | 175.9 | 0 | 0 | 109.5 | ||||
| 1835 | R | 23.6 | Very low | 29.7 | Very low | 236 Ų | 236 | 136 Ų | 136 | 89% | 0.891 | 69% | 0.691 | S | S | * | * | trans | 170.9 | 82 | 153.8 | -97.7 | 174.6 | -150.9 | -165.3 | 6.1 | 110.2 | ||||
| 1836 | E | 22.2 | Very low | 28.7 | Very low | 184 Ų | 184 | 141.2 Ų | 141.2 | 86% | 0.86 | 72% | 0.724 | S | S | * | * | trans | -137.7 | 76 | 142.4 | -76.3 | -166.1 | 166.4 | 0 | 0 | 107.4 | I1838 | E1836-I1838 PolarHBondContact O-N 2.98Š| ||
| 1837 | S | 21.3 | Very low | 27.2 | Very low | 108 Ų | 108 | 146.2 Ų | 146.2 | 76% | 0.755 | 76% | 0.757 | S | S | * | * | trans | -72 | 92.5 | 163.3 | 50.1 | 0 | 0 | 0 | 0 | 107.9 | T1839 | S1837-T1839 PolarHBondContact O-N 3.15Š| ||
| 1838 | I | 22.9 | Very low | 26.2 | Very low | 152 Ų | 152 | 146.9 Ų | 146.9 | 78% | 0.779 | 78% | 0.778 | S | S | * | * | trans | -82.7 | 116.1 | 165.4 | -61.6 | 175.8 | 0 | 0 | 0 | 106.9 | E1836 | E1836-I1838 PolarHBondContact O-N 2.98Š| ||
| 1839 | T | 23.6 | Very low | 25.1 | Very low | 123 Ų | 123 | 148.7 Ų | 148.7 | 76% | 0.755 | 79% | 0.793 | S | S | * | * | trans | -57.9 | 141.8 | -176.8 | 42.5 | 0 | 0 | 0 | 0 | 113.1 | S1837 | S1837-T1839 PolarHBondContact O-N 3.15Š| ||
| 1840 | E | 21 | Very low | 24.4 | Very low | 187 Ų | 187 | 150 Ų | 150 | 87% | 0.874 | 81% | 0.809 | S | S | * | * | trans | -44.2 | 129 | 163 | -61.6 | 172.2 | 146.6 | 0 | 0 | 111.6 | ||||
| 1841 | E | 22.5 | Very low | 23.9 | Very low | 186 Ų | 186 | 150 Ų | 150 | 87% | 0.869 | 81% | 0.811 | S | S | * | * | trans | -170.1 | 145.7 | 141.2 | -113.7 | 174.7 | -172.6 | 0 | 0 | 112.6 | ||||
| 1842 | V | 26.1 | Very low | 23.5 | Very low | 126 Ų | 126 | 148.2 Ų | 148.2 | 76% | 0.764 | 81% | 0.808 | S | S | * | * | trans | 86 | 87.8 | 166.9 | -158.7 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1843 | L | 20.4 | Very low | 23.3 | Very low | 175 Ų | 175 | 148.9 Ų | 148.9 | 92% | 0.916 | 81% | 0.814 | S | S | * | * | trans | -54.8 | 129.5 | 146.6 | -77.7 | 96.4 | 0 | 0 | 0 | 110.7 | ||||
| 1844 | S | 23 | Very low | 23.1 | Very low | 109 Ų | 109 | 149.5 Ų | 149.5 | 76% | 0.762 | 82% | 0.819 | S | S | * | * | trans | -148.4 | 109.8 | 147.2 | 62.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1845 | S | 20.7 | Very low | 22.8 | Very low | 108 Ų | 108 | 149.3 Ų | 149.3 | 76% | 0.755 | 82% | 0.82 | S | S | * | * | trans | -55.2 | 137.3 | 165.9 | 50.1 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1846 | T | 27.1 | Very low | 22.8 | Very low | 130 Ų | 130 | 144.8 Ų | 144.8 | 80% | 0.798 | 81% | 0.813 | S | S | * | * | trans | -172.3 | 107.8 | 134.4 | 40.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1847 | T | 23.4 | Very low | 22.8 | Very low | 141 Ų | 141 | 141.1 Ų | 141.1 | 87% | 0.865 | 81% | 0.805 | S | S | * | * | trans | 18.4 | 127 | 135.8 | 56.8 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1848 | G | 24.2 | Very low | 22.9 | Very low | 71 Ų | 71 | 144.8 Ų | 144.8 | 73% | 0.732 | 81% | 0.808 | S | S | * | * | trans | 157.5 | 76.4 | 157.1 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 1849 | T | 23.6 | Very low | 22.8 | Very low | 135 Ų | 135 | 148.4 Ų | 148.4 | 83% | 0.828 | 81% | 0.812 | S | S | * | * | trans | 18.4 | 135.3 | 146.6 | 55.5 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 1850 | S | 22.5 | Very low | 22.8 | Very low | 121 Ų | 121 | 149.1 Ų | 149.1 | 85% | 0.846 | 82% | 0.816 | S | S | * | * | trans | 108.2 | 115.5 | 148 | 75 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1851 | H | 21.1 | Very low | 22.8 | Very low | 186 Ų | 186 | 150.5 Ų | 150.5 | 86% | 0.861 | 82% | 0.815 | S | S | * | * | trans | -42.3 | 164.7 | 169 | -76.6 | -66.7 | 0 | 0 | 0 | 114.7 | ||||
| 1852 | P | 26.3 | Very low | 22.7 | Very low | 109 Ų | 109 | 149.7 Ų | 149.7 | 71% | 0.708 | 82% | 0.816 | S | S | * | * | cis | -135 | 150.2 | 8.1 | 36.6 | -18.7 | 0 | 0 | 0 | 114.5 | ||||
| 1853 | Q | 22.5 | Very low | 22.4 | Very low | 189 Ų | 189 | 148.9 Ų | 148.9 | 88% | 0.883 | 82% | 0.816 | S | S | * | * | trans | -165.8 | 122 | 152.5 | -110.9 | 165.8 | 32.9 | 0 | 0 | 112.9 | ||||
| 1854 | H | 22.3 | Very low | 22.4 | Very low | 183 Ų | 183 | 145.8 Ų | 145.8 | 85% | 0.847 | 81% | 0.809 | S | S | * | * | trans | 48.1 | 91.7 | 150 | -92 | -92.5 | 0 | 0 | 0 | 119.7 | N1856 | H1854-N1856 PolarHBondContact O-N 2.79Š| ||
| 1855 | M | 19.6 | Very low | 22.4 | Very low | 177 Ų | 177 | 145.6 Ų | 145.6 | 87% | 0.872 | 81% | 0.808 | S | S | * | * | trans | -48.2 | 122.1 | 149.5 | -76.1 | -81.4 | -173.5 | 0 | 0 | 111.1 | P1857 | M1855-P1857 WeakPolarHBondContact O-CD 3.44Š| ||
| 1856 | N | 23.2 | Very low | 22.4 | Very low | 140 Ų | 140 | 149 Ų | 149 | 75% | 0.749 | 81% | 0.812 | S | S | * | * | trans | -85.6 | 109.5 | 169.7 | -162.9 | -6.6 | 0 | 0 | 0 | 108.3 | H1854 F1858 | H1854-N1856 PolarHBondContact O-N 2.79Å; N1856-F1858 VanDerWaalsContact C-N 3.3Å; N1856-F1858 PolarHBondContact O-N 3.18Å; N1856-F1858 VanDerWaalsContact O-N 3.15Å | ||
| 1857 | P | 22.2 | Very low | 22.1 | Very low | 107 Ų | 107 | 151 Ų | 151 | 70% | 0.695 | 82% | 0.817 | S | S | * | * | trans | -79.4 | 9.3 | -163.2 | -12.9 | 29.3 | 0 | 0 | 0 | 116.7 | M1855 | M1855-P1857 WeakPolarHBondContact O-CD 3.44Š| ||
| 1858 | F | 22.7 | Very low | 21.9 | Very low | 186 Ų | 186 | 152.3 Ų | 152.3 | 82% | 0.816 | 81% | 0.813 | S | S | * | * | trans | -111.4 | 47.1 | -172.1 | -66.6 | -72.1 | 0 | 0 | 0 | 114.3 | N1856 | N1856-F1858 VanDerWaalsContact C-N 3.3Å; N1856-F1858 PolarHBondContact O-N 3.18Å; N1856-F1858 VanDerWaalsContact O-N 3.15Å | ||
| 1859 | R | 21.7 | Very low | 21.8 | Very low | 228 Ų | 228 | 154.2 Ų | 154.2 | 86% | 0.86 | 82% | 0.815 | S | S | * | * | trans | -114 | 90.6 | 168.1 | -151.3 | 171.4 | -170.3 | 161.7 | 2 | 109.5 | ||||
| 1860 | V | 22.8 | Very low | 21.7 | Very low | 138 Ų | 138 | 155.7 Ų | 155.7 | 84% | 0.836 | 82% | 0.816 | S | S | * | * | trans | -70.2 | 126.8 | 171.6 | 177.3 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1861 | Y | 20.6 | Very low | 21.6 | Very low | 215 Ų | 215 | 154.8 Ų | 154.8 | 84% | 0.843 | 81% | 0.81 | S | S | * | * | trans | -66.7 | 127.5 | 179.3 | -79.9 | -94.3 | 0 | 0 | 0 | 110.9 | S1863 | Y1861-S1863 PolarHBondContact O-N 3.46Š| ||
| 1862 | N | 20.4 | Very low | 21.6 | Very low | 170 Ų | 170 | 157.2 Ų | 157.2 | 91% | 0.909 | 81% | 0.812 | S | S | * | * | trans | -72 | 107.3 | 162.7 | -100.3 | -16.5 | 0 | 0 | 0 | 108.4 | ||||
| 1863 | S | 21.1 | Very low | 21.4 | Very low | 109 Ų | 109 | 159.2 Ų | 159.2 | 76% | 0.762 | 82% | 0.816 | S | S | * | * | trans | -103.4 | 109.5 | 162.2 | 57.1 | 0 | 0 | 0 | 0 | 109.2 | Y1861 | Y1861-S1863 PolarHBondContact O-N 3.46Š| ||
| 1864 | S | 20 | Very low | 21.4 | Very low | 110 Ų | 110 | 155 Ų | 155 | 77% | 0.769 | 81% | 0.814 | S | S | * | * | trans | -34.1 | 130.6 | 162.4 | 48 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1865 | S | 22.2 | Very low | 21.5 | Very low | 104 Ų | 104 | 150.3 Ų | 150.3 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | 153.7 | 123.9 | 118 | 63.1 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 1866 | Q | 20.8 | Very low | 21.8 | Very low | 179 Ų | 179 | 151.9 Ų | 151.9 | 84% | 0.836 | 80% | 0.804 | S | S | * | * | trans | 53.7 | 98.6 | 144.1 | -57 | -173 | 6.8 | 0 | 0 | 118.5 | ||||
| 1867 | L | 20.9 | Very low | 21.9 | Very low | 172 Ų | 172 | 150 Ų | 150 | 90% | 0.901 | 79% | 0.793 | S | S | * | * | 179.6 | 141 | 116 | -104.4 | 140.6 | 0 | 0 | 0 | 110.2 | |||||
| 1868 | E | 20 | Very low | 22.1 | Very low | 169 Ų | 169 | 149.9 Ų | 149.9 | 79% | 0.79 | 79% | 0.792 | S | S | * | * | trans | -77.6 | 154.3 | -165.2 | -66.8 | 165.7 | 131.1 | 0 | 0 | 113.9 | ||||
| 1869 | S | 20.8 | Very low | 22.8 | Very low | 111 Ų | 111 | 144.1 Ų | 144.1 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | trans | 52.8 | 74.6 | 141.9 | 68.5 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1870 | I | 21.6 | Very low | 23.4 | Very low | 166 Ų | 166 | 136.8 Ų | 136.8 | 85% | 0.851 | 75% | 0.753 | S | S | * | * | trans | -123.4 | 126.4 | 135 | -65.1 | 178.3 | 0 | 0 | 0 | 107.3 | ||||
| 1871 | S | 20.9 | Very low | 24.3 | Very low | 103 Ų | 103 | 135.1 Ų | 135.1 | 72% | 0.72 | 74% | 0.738 | S | S | * | * | trans | -48.3 | 133.4 | -175.1 | 43.5 | 0 | 0 | 0 | 0 | 113.4 | D1873 | S1871-D1873 PolarHBondContact O-N 2.92Š| ||
| 1872 | R | 20.3 | Very low | 25.1 | Very low | 237 Ų | 237 | 129.7 Ų | 129.7 | 89% | 0.894 | 72% | 0.716 | S | S | * | * | trans | -59.2 | 112 | 168.1 | -60.3 | 169.6 | -175.5 | 175.2 | -0.1 | 109.8 | ||||
| 1873 | D | 22.7 | Very low | 25.9 | Very low | 150 Ų | 150 | 127.7 Ų | 127.7 | 80% | 0.802 | 70% | 0.704 | S | S | * | * | trans | -125.8 | 67 | 152.1 | -84.2 | -31.8 | 0 | 0 | 0 | 108.6 | S1871 | S1871-D1873 PolarHBondContact O-N 2.92Š| ||
| 1874 | A | 22.5 | Very low | 26.7 | Very low | 101 Ų | 101 | 124.6 Ų | 124.6 | 84% | 0.835 | 69% | 0.689 | S | S | * | * | trans | -92.8 | 84.9 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 1875 | S | 25.2 | Very low | 27.5 | Very low | 85 Ų | 85 | 127.8 Ų | 127.8 | 59% | 0.594 | 70% | 0.696 | S | S | * | * | trans | -167.7 | 62.3 | 157 | 59.8 | 0 | 0 | 0 | 0 | 112 | I1877 | S1875-I1877 PolarHBondContact O-N 3.13Š| ||
| 1876 | F | 24.3 | Very low | 28.3 | Very low | 209 Ų | 209 | 126.8 Ų | 126.8 | 92% | 0.917 | 69% | 0.686 | S | S | * | * | trans | -75.6 | 83.7 | 158.2 | -93.4 | -86.4 | 0 | 0 | 0 | 108.1 | ||||
| 1877 | I | 25.4 | Very low | 29 | Very low | 101 Ų | 101 | 129 Ų | 129 | 52% | 0.518 | 69% | 0.693 | S | S | . | * | trans | -73.5 | 122.9 | 161.8 | -61.3 | 173.2 | 0 | 0 | 0 | 105.6 | S1875 S1879 | S1875-I1877 PolarHBondContact O-N 3.13Å; I1877-S1879 PolarHBondContact O-N 3.28Å | ||
| 1878 | P | 27.8 | Very low | 30 | Very low | 104 Ų | 104 | 127.5 Ų | 127.5 | 68% | 0.675 | 68% | 0.681 | S | S | * | * | trans | -65.1 | 112.7 | -177.5 | 24.5 | -31.4 | 0 | 0 | 0 | 109.8 | L1880 | P1878-L1880 PolarHBondContact O-N 3.27Š| ||
| 1879 | S | 35.7 | Very low | 31.5 | Very low | 66 Ų | 66 | 128.3 Ų | 128.3 | 46% | 0.462 | 69% | 0.685 | S | S | . | * | trans | -64.5 | 114.9 | 169.9 | 51.5 | 0 | 0 | 0 | 0 | 109.5 | I1877 | I1877-S1879 PolarHBondContact O-N 3.28Š| ||
| 1880 | L | 36.1 | Very low | 33.1 | Very low | 74 Ų | 74 | 126.5 Ų | 126.5 | 39% | 0.387 | 66% | 0.663 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -80.4 | 130.9 | 174.2 | -84.6 | 145.5 | 0 | 0 | 0 | 110 | L1825 P1878 | L1825-L1880 HydrophobicContact CB-CB 4.42Å; L1825-L1880 HydrophobicContact CD1-CB 4.2Å; L1825-L1880 PolarHBondContact N-O 3.39Å; P1878-L1880 PolarHBondContact O-N 3.27Å |
| 1881 | I | 40.5 | Very low | 34.7 | Very low | 103 Ų | 103 | 126.9 Ų | 126.9 | 53% | 0.528 | 66% | 0.661 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -97.2 | 122.3 | 172.8 | -59.4 | 172.5 | 0 | 0 | 0 | 108.1 | ||
| 1882 | W | 38.5 | Very low | 36.2 | Very low | 100 Ų | 100 | 123 Ų | 123 | 38% | 0.379 | 63% | 0.633 | S | S | . | * | P | Polyproline II helix | trans | -101.4 | 138.3 | 176.9 | 179.1 | 70.4 | 0 | 0 | 0 | 111.8 | V1823 G1884 T1886 | V1823-W1882 HydrophobicContact CG2-CE3 4.34Å; W1882-G1884 VanDerWaalsContact CH2-C 3.44Å; W1882-G1884 VanDerWaalsContact CH2-O 3.31Å; W1882-G1884 WeakPolarHBondContact CH2-O 3.35Å; W1882-G1884 VanDerWaalsContact CZ2-CA 3.41Å; W1882-T1886 HydrophobicContact CH2-CG2 3.55Å; W1882-T1886 HydrophobicContact CZ3-CG2 3.71Å |
| 1883 | I | 37.2 | Very low | 37.8 | Very low | 129 Ų | 129 | 118.4 Ų | 118.4 | 66% | 0.662 | 62% | 0.621 | S | S | * | * | trans | -127.8 | 109.6 | 172.1 | -54.9 | 173.7 | 0 | 0 | 0 | 107.3 | ||||
| 1884 | G | 38.2 | Very low | 39.2 | Very low | 43 Ų | 43 | 115.2 Ų | 115.2 | 44% | 0.443 | 61% | 0.608 | S | S | . | * | trans | -169.1 | 168.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | W1882 | W1882-G1884 VanDerWaalsContact CH2-C 3.44Å; W1882-G1884 VanDerWaalsContact CH2-O 3.31Å; W1882-G1884 WeakPolarHBondContact CH2-O 3.35Å; W1882-G1884 VanDerWaalsContact CZ2-CA 3.41Å | ||
| 1885 | L | 36 | Very low | 40.8 | Very low | 177 Ų | 177 | 119.1 Ų | 119.1 | 93% | 0.927 | 60% | 0.603 | S | S | * | * | trans | -85.2 | 129.6 | 179.5 | -71.3 | 163.7 | 0 | 0 | 0 | 110.4 | ||||
| 1886 | T | 39.8 | Very low | 42.3 | Very low | 83 Ų | 83 | 118.5 Ų | 118.5 | 51% | 0.509 | 59% | 0.59 | S | S | . | * | trans | -97.9 | 151.9 | 172.2 | 56.4 | 0 | 0 | 0 | 0 | 110.7 | W1882 Q1888 | W1882-T1886 HydrophobicContact CH2-CG2 3.55Å; W1882-T1886 HydrophobicContact CZ3-CG2 3.71Å; T1886-Q1888 VanDerWaalsContact C-N 3.26Å; T1886-Q1888 PolarHBondContact OG1-O 2.98Å | ||
| 1887 | K | 35 | Very low | 44 | Very low | 226 Ų | 226 | 112 Ų | 112 | 98% | 0.983 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -76.7 | -11.8 | 170.7 | -76.4 | -175.5 | 177.3 | 177.5 | 0 | 113.5 | ||
| 1888 | Q | 42 | Very low | 45.7 | Very low | 141 Ų | 141 | 111.1 Ų | 111.1 | 66% | 0.659 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -118 | 134.4 | -178.8 | -97.4 | 164.7 | -17.5 | 0 | 0 | 110.8 | T1886 F1890 | T1886-Q1888 VanDerWaalsContact C-N 3.26Å; T1886-Q1888 PolarHBondContact OG1-O 2.98Å; Q1888-F1890 HydrophobicContact CB-CE2 4.45Å |
| 1889 | E | 49.9 | Very low | 47.5 | Very low | 185 Ų | 185 | 109.6 Ų | 109.6 | 86% | 0.864 | 55% | 0.551 | S | S | * | * | trans | -86.7 | 134.6 | 172.3 | -76.1 | -176.4 | 150.8 | 0 | 0 | 110.8 | ||||
| 1890 | F | 54.9 | Low | 48.5 | Very low | 73 Ų | 73 | 108.8 Ų | 108.8 | 32% | 0.32 | 54% | 0.541 | S | S | . | . | trans | -115.4 | 120 | 172.6 | -63 | -82.9 | 0 | 0 | 0 | 109.7 | I1813 Q1888 L1900 | I1813-F1890 HydrophobicContact CD1-CD2 4.42Å; Q1888-F1890 HydrophobicContact CB-CE2 4.45Å; F1890-L1900 HydrophobicContact CE1-CD1 4.18Å; F1890-L1900 HydrophobicContact CE1-CD2 4.15Å; F1890-L1900 HydrophobicContact CE2-CD1 4.23Å; F1890-L1900 HydrophobicContact CZ-CD1 3.86Å; F1890-L1900 HydrophobicContact CZ-CD2 3.88Å | ||
| 1891 | H | 55.6 | Low | 49.8 | Very low | 175 Ų | 175 | 109.5 Ų | 109.5 | 81% | 0.81 | 55% | 0.549 | S | S | * | . | trans | -83.8 | 115.3 | 165.7 | -80.8 | -43.8 | 0 | 0 | 0 | 110.1 | ||||
| 1892 | L | 52.8 | Low | 50.4 | Low | 22 Ų | 22 | 105.9 Ų | 105.9 | 12% | 0.115 | 53% | 0.531 | C | S | . | . | trans | -112.9 | 132.7 | 174.1 | -71.2 | 163.5 | 0 | 0 | 0 | 108.6 | I1813 N1815 Q1896 K1898 | I1813-L1892 HydrophobicContact CB-CD1 4.22Å; I1813-L1892 HydrophobicContact CG2-CD1 3.53Å; N1815-L1892 HydrophobicContact CB-CB 3.78Å; N1815-L1892 HydrophobicContact CB-CD1 4.25Å; N1815-L1892 PolarHBondContact ND2-O 2.91Å; L1892-Q1896 HydrophobicContact CB-CB 4.44Å; L1892-Q1896 HydrophobicContact CD2-CB 4.22Å; L1892-Q1896 HydrophobicContact CD2-CG 4.05Å; L1892-K1898 HydrophobicContact CD2-CB 3.84Å; L1892-K1898 HydrophobicContact CD2-CD 3.75Å; L1892-K1898 HydrophobicContact CD2-CG 3.59Å | ||
| 1893 | Q | 53.6 | Low | 50.9 | Low | 140 Ų | 140 | 106.4 Ų | 106.4 | 65% | 0.654 | 54% | 0.536 | S | S | * | . | trans | -63.7 | 154.6 | 166.2 | -66.4 | -73.9 | -24.9 | 0 | 0 | 109.7 | N1815 Y1895 Q1896 | N1815-Q1893 PolarHBondContact ND2-O 3.31Å; Q1893-Y1895 PolarHBondContact O-N 3.08Å; Q1893-Q1896 HydrophobicContact CB-CB 4.05Å; Q1893-Q1896 WeakPolarHBondContact O-CB 3.32Å; Q1893-Q1896 PolarHBondContact O-N 3.13Å | ||
| 1894 | P | 51.9 | Low | 51.7 | Low | 82 Ų | 82 | 100.4 Ų | 100.4 | 53% | 0.532 | 51% | 0.505 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | 133.4 | 174.7 | -21.6 | 32 | 0 | 0 | 0 | 110.7 | Q1896 | P1894-Q1896 PolarHBondContact O-N 3.06Š|
| 1895 | Y | 55.6 | Low | 52 | Low | 183 Ų | 183 | 100.7 Ų | 100.7 | 72% | 0.718 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.9 | 5.6 | -174.1 | -48.4 | -79.2 | 0 | 0 | 0 | 116 | N1815 Q1893 | N1815-Y1895 PolarHBondContact O-N 3.47Å; Q1893-Y1895 PolarHBondContact O-N 3.08Å |
| 1896 | Q | 58.4 | Low | 52.6 | Low | 72 Ų | 72 | 92.7 Ų | 92.7 | 34% | 0.336 | 46% | 0.456 | S | S | . | . | trans | -73.9 | 134.7 | 173.1 | -168.7 | 178.2 | 6.9 | 0 | 0 | 110.6 | N1815 L1892 Q1893 P1894 | N1815-Q1896 PolarHBondContact N-O 3.47Å; L1892-Q1896 HydrophobicContact CB-CB 4.44Å; L1892-Q1896 HydrophobicContact CD2-CB 4.22Å; L1892-Q1896 HydrophobicContact CD2-CG 4.05Å; Q1893-Q1896 HydrophobicContact CB-CB 4.05Å; Q1893-Q1896 WeakPolarHBondContact O-CB 3.32Å; Q1893-Q1896 PolarHBondContact O-N 3.13Å; P1894-Q1896 PolarHBondContact O-N 3.06Å | ||
| 1897 | V | 60.2 | Low | 52.8 | Low | 72 Ų | 72 | 91.6 Ų | 91.6 | 44% | 0.436 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 125.5 | 171.9 | -173.1 | 0 | 0 | 0 | 0 | 108.6 | K1812 I1813 Y1814 | K1812-V1897 HydrophobicContact CB-CG1 4.14Å; K1812-V1897 HydrophobicContact CG-CG1 4.47Å; I1813-V1897 WeakPolarHBondContact O-CA 3.11Å; Y1814-V1897 HydrophobicContact CD1-CB 4.46Å; Y1814-V1897 HydrophobicContact CD1-CG1 4.23Å; Y1814-V1897 HydrophobicContact CD1-CG2 3.46Å; Y1814-V1897 VanDerWaalsContact CD1-CG2 3.46Å; Y1814-V1897 HydrophobicContact CE1-CB 4.43Å; Y1814-V1897 HydrophobicContact CE1-CG1 3.96Å; Y1814-V1897 HydrophobicContact CE1-CG2 3.54Å; Y1814-V1897 HydrophobicContact CG-CG2 4.41Å |
| 1898 | K | 60.1 | Low | 53.1 | Low | 84 Ų | 84 | 85.6 Ų | 85.6 | 37% | 0.365 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 136.5 | 164.8 | -88.4 | -177 | 174.9 | 172.4 | 0 | 109.7 | K1812 I1813 L1892 | K1812-K1898 CarbonylContact C-O 3.53Å; K1812-K1898 WeakPolarHBondContact CA-O 3.41Å; I1813-K1898 PolarHBondContact N-O 3.43Å; I1813-K1898 PolarHBondContact O-N 2.8Å; I1813-K1898 VanDerWaalsContact O-N 3.13Å; L1892-K1898 HydrophobicContact CD2-CB 3.84Å; L1892-K1898 HydrophobicContact CD2-CD 3.75Å; L1892-K1898 HydrophobicContact CD2-CG 3.59Å |
| 1899 | C | 64.8 | Low | 52.8 | Low | 71 Ų | 71 | 89.3 Ų | 89.3 | 48% | 0.48 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 119.8 | 173.3 | -142.1 | 0 | 0 | 0 | 0 | 108.7 | A1811 K1812 | A1811-C1899 CarbonylContact O-C 3.58Å; A1811-C1899 WeakPolarHBondContact O-CA 3.39Å; K1812-C1899 WeakPolarHBondContact CG-SG 3.23Å |
| 1900 | L | 58.1 | Low | 52.2 | Low | 50 Ų | 50 | 82.9 Ų | 82.9 | 26% | 0.262 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 142.6 | 171.9 | -81.9 | 134.3 | 0 | 0 | 0 | 109.1 | Q1810 A1811 I1813 F1890 | Q1810-L1900 CarbonylContact C-O 3.48Å; Q1810-L1900 WeakPolarHBondContact CA-O 3.29Å; A1811-L1900 HydrophobicContact CB-CB 4.29Å; A1811-L1900 PolarHBondContact N-O 2.98Å; A1811-L1900 PolarHBondContact O-N 3.45Å; I1813-L1900 HydrophobicContact CD1-CD1 3.24Å; I1813-L1900 HydrophobicContact CG1-CD1 3.94Å; F1890-L1900 HydrophobicContact CE1-CD1 4.18Å; F1890-L1900 HydrophobicContact CE1-CD2 4.15Å; F1890-L1900 HydrophobicContact CE2-CD1 4.23Å; F1890-L1900 HydrophobicContact CZ-CD1 3.86Å; F1890-L1900 HydrophobicContact CZ-CD2 3.88Å |
| 1901 | T | 62.3 | Low | 51.2 | Low | 89 Ų | 89 | 88.1 Ų | 88.1 | 55% | 0.546 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 110.1 | 169.9 | -50.9 | 0 | 0 | 0 | 0 | 107.3 | V1809 | V1809-T1901 CarbonylContact O-C 3.42Å; V1809-T1901 WeakPolarHBondContact O-CA 3.45Å |
| 1902 | L | 53.1 | Low | 50.2 | Low | 27 Ų | 27 | 83.6 Ų | 83.6 | 14% | 0.141 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 145.9 | -180 | -59.1 | 173.7 | 0 | 0 | 0 | 109.7 | S1808 V1809 A1811 L1825 I1962 E1964 | S1808-L1902 CarbonylContact C-O 3.53Å; S1808-L1902 WeakPolarHBondContact CA-O 3.2Å; V1809-L1902 PolarHBondContact N-O 3.16Å; V1809-L1902 PolarHBondContact O-N 3.14Å; A1811-L1902 HydrophobicContact CB-CD1 3.69Å; A1811-L1902 HydrophobicContact CB-CG 4.15Å; L1825-L1902 HydrophobicContact CD2-CD1 3.93Å; L1902-I1962 HydrophobicContact CB-CG2 4.2Å; L1902-I1962 HydrophobicContact CD1-CD1 4.07Å; L1902-I1962 HydrophobicContact CD1-CG2 4.11Å; L1902-I1962 HydrophobicContact CD2-CG2 4.38Å; L1902-I1962 HydrophobicContact CG-CG2 4.47Å; L1902-E1964 CarbonylContact C-O 3.41Å; L1902-E1964 VanDerWaalsContact CA-O 3.22Å; L1902-E1964 WeakPolarHBondContact CA-O 3.28Å |
| 1903 | K | 50 | Low | 49.1 | Very low | 111 Ų | 111 | 88.1 Ų | 88.1 | 48% | 0.483 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 118.6 | 165 | -67.2 | -179.5 | -164.1 | 151 | 0 | 108.8 | I1963 E1964 | K1903-I1963 PolarHBondContact O-N 3.27Å; K1903-E1964 HydrophobicContact CB-CB 4.26Å; K1903-E1964 PolarHBondContact N-O 3.48Å; K1903-E1964 IonicContact NZ-OE2 2.54Å; K1903-E1964 PolarHBondContact NZ-OE2 3.5Å; K1903-E1964 PolarHBondContact O-N 3.2Å |
| 1904 | A | 53 | Low | 48 | Very low | 2 Ų | 2 | 89.3 Ų | 89.3 | 2% | 0.017 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 154 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | P1806 I1807 V1809 L1960 V1961 I1962 | P1806-A1904 CarbonylContact C-O 3.52Å; P1806-A1904 VanDerWaalsContact CA-O 3.31Å; P1806-A1904 WeakPolarHBondContact CA-O 3.2Å; I1807-A1904 PolarHBondContact N-O 3.44Å; I1807-A1904 PolarHBondContact O-N 3.31Å; V1809-A1904 HydrophobicContact CG2-CB 3.87Å; A1904-L1960 HydrophobicContact CB-CD2 3.47Å; A1904-L1960 VanDerWaalsContact CB-CD2 3.47Å; A1904-L1960 HydrophobicContact CB-CG 4.13Å; A1904-V1961 CarbonylContact C-O 3.55Å; A1904-V1961 WeakPolarHBondContact CA-O 3.38Å; A1904-V1961 WeakPolarHBondContact CB-O 3.43Å; A1904-I1962 HydrophobicContact CB-CG1 4.47Å |
| 1905 | L | 45.5 | Very low | 46.9 | Very low | 50 Ų | 50 | 91 Ų | 91 | 26% | 0.262 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 127.2 | 164.5 | -74.7 | 176.2 | 0 | 0 | 0 | 108.9 | F1804 P1806 V1961 I1963 | F1804-L1905 HydrophobicContact CB-CB 4.03Å; F1804-L1905 HydrophobicContact CB-CD1 4.05Å; F1804-L1905 HydrophobicContact CB-CD2 3.89Å; F1804-L1905 HydrophobicContact CB-CG 4.18Å; F1804-L1905 HydrophobicContact CD1-CB 3.9Å; F1804-L1905 HydrophobicContact CG-CB 4.23Å; F1804-L1905 HydrophobicContact CG-CD1 4.39Å; P1806-L1905 HydrophobicContact CB-CD2 4.02Å; L1905-V1961 PolarHBondContact N-O 3.14Å; L1905-V1961 PolarHBondContact O-N 3.49Å; L1905-I1963 HydrophobicContact CB-CD1 3.99Å; L1905-I1963 HydrophobicContact CD1-CD1 3.15Å; L1905-I1963 HydrophobicContact CD2-CD1 4.44Å; L1905-I1963 HydrophobicContact CG-CD1 3.26Å; L1905-I1963 HydrophobicContact CG-CG1 4.37Å |
| 1906 | A | 47.4 | Very low | 45.6 | Very low | 9 Ų | 9 | 86.2 Ų | 86.2 | 7% | 0.074 | 47% | 0.467 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 142.6 | 167 | 0 | 0 | 0 | 0 | 0 | 109.3 | F1804 V1805 I1807 Q1908 | F1804-A1906 CarbonylContact C-O 3.55Å; F1804-A1906 WeakPolarHBondContact CA-O 2.92Å; V1805-A1906 PolarHBondContact N-O 2.84Å; V1805-A1906 PolarHBondContact O-N 3.18Å; I1807-A1906 HydrophobicContact CD1-CB 3.43Å; I1807-A1906 VanDerWaalsContact CD1-CB 3.43Å; I1807-A1906 HydrophobicContact CG1-CB 4.07Å; A1906-Q1908 PolarHBondContact O-N 2.76Å |
| 1907 | P | 44.1 | Very low | 44.1 | Very low | 59 Ų | 59 | 87.8 Ų | 87.8 | 38% | 0.383 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 133.7 | 175.5 | 24.1 | -31 | 0 | 0 | 0 | 110.4 | C1803 F1804 F1912 | C1803-P1907 CarbonylContact O-C 3.52Å; C1803-P1907 VanDerWaalsContact O-CA 3.31Å; C1803-P1907 WeakPolarHBondContact O-CA 3.27Å; F1804-P1907 HydrophobicContact CD1-CB 4.4Å; F1804-P1907 HydrophobicContact CE1-CB 3.99Å; P1907-F1912 HydrophobicContact CB-CE2 4.08Å; P1907-F1912 HydrophobicContact CB-CZ 4.48Å |
| 1908 | Q | 41.3 | Very low | 42.4 | Very low | 100 Ų | 100 | 89.5 Ų | 89.5 | 47% | 0.467 | 49% | 0.488 | S | S | . | . | P | Polyproline II helix | trans | -65.6 | 141.5 | 173.2 | -175 | 160.1 | -7.7 | 0 | 0 | 109.3 | K1802 C1803 V1805 A1906 G1910 F1912 | K1802-Q1908 PolarHBondContact O-OE1 3.44Å; C1803-Q1908 PolarHBondContact O-N 3.04Å; V1805-Q1908 HydrophobicContact CG2-CB 4.11Å; V1805-Q1908 HydrophobicContact CG2-CG 4.23Å; A1906-Q1908 PolarHBondContact O-N 2.76Å; Q1908-G1910 PolarHBondContact O-N 3.3Å; Q1908-G1910 VanDerWaalsContact O-N 3.09Å; Q1908-F1912 WeakPolarHBondContact O-CE2 3.43Å; Q1908-F1912 WeakPolarHBondContact O-CZ 3.42Å |
| 1909 | F | 36.7 | Very low | 40.7 | Very low | 220 Ų | 220 | 90.3 Ų | 90.3 | 97% | 0.965 | 50% | 0.495 | S | S | * | . | S | Bend | trans | -52 | 120.5 | -179.5 | -89.9 | -83.9 | 0 | 0 | 0 | 112 | ||
| 1910 | G | 37.9 | Very low | 38.8 | Very low | 50 Ų | 50 | 96.5 Ų | 96.5 | 52% | 0.515 | 51% | 0.514 | S | S | . | . | S | Bend | trans | -178.5 | 162.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q1908 F1912 | Q1908-G1910 PolarHBondContact O-N 3.3Å; Q1908-G1910 VanDerWaalsContact O-N 3.09Å; G1910-F1912 WeakPolarHBondContact O-CD2 3.35Å; G1910-F1912 WeakPolarHBondContact O-CE2 3.34Å; G1910-F1912 PolarHBondContact O-N 3.44Å |
| 1911 | I | 33.5 | Very low | 37.2 | Very low | 182 Ų | 182 | 97.7 Ų | 97.7 | 93% | 0.933 | 53% | 0.531 | S | S | * | . | trans | -82.4 | 104.2 | 175.7 | -57.4 | 171.6 | 0 | 0 | 0 | 107.4 | ||||
| 1912 | F | 33.4 | Very low | 35.3 | Very low | 81 Ų | 81 | 97.9 Ų | 97.9 | 36% | 0.355 | 54% | 0.542 | S | S | . | . | trans | -105.4 | 144 | 175 | -54.9 | -81.1 | 0 | 0 | 0 | 110.7 | C1803 P1907 Q1908 G1910 L1914 | C1803-F1912 HydrophobicContact CB-CE1 3.99Å; C1803-F1912 HydrophobicContact CB-CZ 4.45Å; P1907-F1912 HydrophobicContact CB-CE2 4.08Å; P1907-F1912 HydrophobicContact CB-CZ 4.48Å; Q1908-F1912 WeakPolarHBondContact O-CE2 3.43Å; Q1908-F1912 WeakPolarHBondContact O-CZ 3.42Å; G1910-F1912 WeakPolarHBondContact O-CD2 3.35Å; G1910-F1912 WeakPolarHBondContact O-CE2 3.34Å; G1910-F1912 PolarHBondContact O-N 3.44Å; F1912-L1914 PolarHBondContact O-N 3.42Å | ||
| 1913 | N | 31.1 | Very low | 33.8 | Very low | 117 Ų | 117 | 102.8 Ų | 102.8 | 63% | 0.626 | 58% | 0.575 | S | S | * | * | trans | -70.9 | 119.1 | 170.9 | -173.8 | -12.3 | 0 | 0 | 0 | 109.2 | C1915 T1916 | N1913-C1915 PolarHBondContact O-N 3.11Å; N1913-C1915 PolarHBondContact OD1-N 2.98Å; N1913-T1916 PolarHBondContact O-N 3.37Å; N1913-T1916 PolarHBondContact O-OG1 3.47Å | ||
| 1914 | L | 30.2 | Very low | 32.6 | Very low | 165 Ų | 165 | 105.3 Ų | 105.3 | 86% | 0.864 | 59% | 0.593 | S | S | * | * | G | 310 helix | trans | -56 | -18 | -174.3 | -72.9 | 164.2 | 0 | 0 | 0 | 114.2 | F1912 T1916 | F1912-L1914 PolarHBondContact O-N 3.42Å; L1914-T1916 PolarHBondContact O-N 3.28Å |
| 1915 | C | 29.1 | Very low | 31.2 | Very low | 116 Ų | 116 | 113.1 Ų | 113.1 | 78% | 0.784 | 63% | 0.634 | S | S | * | * | G | 310 helix | trans | -71.9 | -5.7 | 174.9 | -61.3 | 0 | 0 | 0 | 0 | 114.4 | N1913 | N1913-C1915 PolarHBondContact O-N 3.11Å; N1913-C1915 PolarHBondContact OD1-N 2.98Å |
| 1916 | T | 28.2 | Very low | 30.1 | Very low | 83 Ų | 83 | 117.6 Ų | 117.6 | 51% | 0.509 | 66% | 0.657 | S | S | . | * | G | 310 helix | trans | -85 | -17 | -174.7 | 47 | 0 | 0 | 0 | 0 | 115 | N1913 L1914 | N1913-T1916 PolarHBondContact O-N 3.37Å; N1913-T1916 PolarHBondContact O-OG1 3.47Å; L1914-T1916 PolarHBondContact O-N 3.28Å |
| 1917 | F | 25.4 | Very low | 28.9 | Very low | 105 Ų | 105 | 128.2 Ų | 128.2 | 46% | 0.461 | 70% | 0.697 | S | S | . | * | trans | -142 | 122.5 | -177.4 | -64.5 | -79.9 | 0 | 0 | 0 | 112.4 | F1804 | F1804-F1917 HydrophobicContact CE1-CE1 4.42Å; F1804-F1917 HydrophobicContact CE1-CZ 4.38Å; F1804-F1917 HydrophobicContact CE2-CE1 4.21Å; F1804-F1917 HydrophobicContact CE2-CE2 4.39Å; F1804-F1917 AromaticContact CE2-CZ 3.69Å; F1804-F1917 HydrophobicContact CE2-CZ 3.69Å; F1804-F1917 HydrophobicContact CZ-CD1 4.38Å; F1804-F1917 AromaticContact CZ-CE1 3.55Å; F1804-F1917 HydrophobicContact CZ-CE1 3.55Å; F1804-F1917 AromaticContact CZ-CE2 3.75Å; F1804-F1917 HydrophobicContact CZ-CE2 3.75Å; F1804-F1917 AromaticContact CZ-CZ 3.23Å; F1804-F1917 HydrophobicContact CZ-CZ 3.23Å | ||
| 1918 | S | 24.8 | Very low | 27.8 | Very low | 108 Ų | 108 | 131.9 Ų | 131.9 | 76% | 0.755 | 71% | 0.713 | S | S | * | * | trans | -124.4 | 114.9 | 170.9 | 82.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1919 | I | 25 | Very low | 27 | Very low | 101 Ų | 101 | 132 Ų | 132 | 52% | 0.518 | 73% | 0.725 | S | S | . | * | trans | -132.9 | 132.7 | 168.9 | -61.6 | 177.8 | 0 | 0 | 0 | 108.4 | V1961 | I1919-V1961 HydrophobicContact CD1-CG2 3.72Š| ||
| 1920 | K | 24 | Very low | 26.4 | Very low | 202 Ų | 202 | 130.7 Ų | 130.7 | 88% | 0.878 | 72% | 0.722 | S | S | * | * | trans | -106.4 | 128.1 | -170.7 | -62.4 | 177.7 | 178.8 | 179 | 0 | 110.1 | ||||
| 1921 | A | 24.6 | Very low | 25.7 | Very low | 75 Ų | 75 | 133.6 Ų | 133.6 | 62% | 0.62 | 73% | 0.734 | S | S | * | * | trans | -134.5 | 138.7 | 165.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1922 | A | 22.4 | Very low | 25.2 | Very low | 93 Ų | 93 | 132.5 Ų | 132.5 | 77% | 0.769 | 73% | 0.73 | S | S | * | * | trans | -108.9 | 135.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1923 | P | 22.8 | Very low | 24.8 | Very low | 130 Ų | 130 | 136.2 Ų | 136.2 | 84% | 0.844 | 75% | 0.752 | S | S | * | * | trans | -80.7 | 140 | 178.2 | 30.9 | -31.8 | 0 | 0 | 0 | 111.7 | ||||
| 1924 | L | 24.1 | Very low | 24.3 | Very low | 164 Ų | 164 | 138.2 Ų | 138.2 | 86% | 0.859 | 76% | 0.763 | S | S | * | * | trans | -115.7 | 128.4 | 169.6 | -155.7 | 86.8 | 0 | 0 | 0 | 109.9 | ||||
| 1925 | L | 24.4 | Very low | 24.1 | Very low | 165 Ų | 165 | 136.7 Ų | 136.7 | 86% | 0.864 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 126.7 | 176.9 | -88.4 | 134.1 | 0 | 0 | 0 | 111.5 | ||
| 1926 | L | 21.8 | Very low | 23.8 | Very low | 145 Ų | 145 | 137.4 Ų | 137.4 | 76% | 0.759 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 119.2 | 171.8 | -106.8 | 85.8 | 0 | 0 | 0 | 110.5 | ||
| 1927 | Y | 22 | Very low | 23.6 | Very low | 232 Ų | 232 | 141.4 Ų | 141.4 | 91% | 0.91 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -90.4 | 121.6 | 159 | -100.2 | -90.1 | 0 | 0 | 0 | 108.9 | ||
| 1928 | N | 22.4 | Very low | 23.4 | Very low | 135 Ų | 135 | 145.4 Ų | 145.4 | 72% | 0.722 | 80% | 0.797 | S | S | * | * | trans | -109.7 | 156 | 179.5 | -122.3 | -9.6 | 0 | 0 | 0 | 110.6 | ||||
| 1929 | S | 24.2 | Very low | 23.2 | Very low | 103 Ų | 103 | 146.1 Ų | 146.1 | 72% | 0.72 | 80% | 0.799 | S | S | * | * | trans | 73.5 | 104.3 | 160.8 | 58.6 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1930 | H | 22.5 | Very low | 23 | Very low | 192 Ų | 192 | 148.7 Ų | 148.7 | 89% | 0.889 | 81% | 0.813 | S | S | * | * | -5 | 124.5 | 125.8 | -63 | -76.4 | 0 | 0 | 0 | 117 | |||||
| 1931 | S | 24.7 | Very low | 22.8 | Very low | 112 Ų | 112 | 147.3 Ų | 147.3 | 78% | 0.783 | 81% | 0.814 | S | S | * | * | -176.9 | 125.5 | 124 | 52.8 | 0 | 0 | 0 | 0 | 111 | |||||
| 1932 | N | 22.3 | Very low | 22.8 | Very low | 158 Ų | 158 | 151 Ų | 151 | 85% | 0.845 | 82% | 0.822 | S | S | * | * | trans | -44.1 | 133.5 | 166.9 | -69.3 | -37 | 0 | 0 | 0 | 112.5 | ||||
| 1933 | I | 25 | Very low | 22.7 | Very low | 160 Ų | 160 | 152 Ų | 152 | 82% | 0.821 | 82% | 0.815 | S | S | * | * | trans | -160.1 | 122.4 | 137.8 | -92 | 139.6 | 0 | 0 | 0 | 108 | ||||
| 1934 | N | 21.3 | Very low | 22.7 | Very low | 159 Ų | 159 | 154.6 Ų | 154.6 | 85% | 0.85 | 82% | 0.815 | S | S | * | * | trans | -66 | 124.6 | 169.2 | -70.2 | -41.5 | 0 | 0 | 0 | 109.7 | ||||
| 1935 | T | 24.7 | Very low | 22.7 | Very low | 132 Ų | 132 | 153.3 Ų | 153.3 | 81% | 0.81 | 81% | 0.809 | S | S | * | * | trans | -169.3 | 128.1 | 133.8 | 28.8 | 0 | 0 | 0 | 0 | 108.8 | N1937 | T1935-N1937 PolarHBondContact O-N 3.19Š| ||
| 1936 | T | 23.2 | Very low | 22.5 | Very low | 131 Ų | 131 | 153 Ų | 153 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | trans | -60.3 | 108.4 | 172.6 | 47.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1937 | N | 23.5 | Very low | 22.5 | Very low | 168 Ų | 168 | 155.9 Ų | 155.9 | 90% | 0.898 | 81% | 0.814 | S | S | * | * | trans | -161.9 | 144.1 | 143 | -97.7 | -26.5 | 0 | 0 | 0 | 110.7 | T1935 | T1935-N1937 PolarHBondContact O-N 3.19Š| ||
| 1938 | K | 21.2 | Very low | 22.5 | Very low | 189 Ų | 189 | 149.3 Ų | 149.3 | 82% | 0.822 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 151.3 | -168 | -78.3 | 172.5 | 177.4 | 175.6 | 0 | 113.9 | L1940 | K1938-L1940 PolarHBondContact O-N 3.46Š|
| 1939 | P | 21 | Very low | 22.4 | Very low | 122 Ų | 122 | 150.2 Ų | 150.2 | 79% | 0.792 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 122.2 | -168.5 | 30.2 | -36.1 | 0 | 0 | 0 | 110.7 | L1941 | P1939-L1941 PolarHBondContact O-N 2.92Š|
| 1940 | L | 20.4 | Very low | 22.2 | Very low | 156 Ų | 156 | 154 Ų | 154 | 82% | 0.817 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -65 | 122.1 | 167.4 | -115.4 | 95.9 | 0 | 0 | 0 | 108.8 | K1938 I1942 | K1938-L1940 PolarHBondContact O-N 3.46Å; L1940-I1942 PolarHBondContact O-N 3.46Å |
| 1941 | L | 20.5 | Very low | 22 | Very low | 172 Ų | 172 | 151.8 Ų | 151.8 | 90% | 0.901 | 80% | 0.8 | S | S | * | * | trans | -60.5 | 110 | 159.3 | -119.5 | 83.4 | 0 | 0 | 0 | 107 | P1939 | P1939-L1941 PolarHBondContact O-N 2.92Š| ||
| 1942 | I | 24.1 | Very low | 21.8 | Very low | 154 Ų | 154 | 153.2 Ų | 153.2 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | trans | -86.4 | 119 | 166.5 | -66.1 | 173.2 | 0 | 0 | 0 | 106.7 | L1940 | L1940-I1942 PolarHBondContact O-N 3.46Š| ||
| 1943 | D | 21.5 | Very low | 21.8 | Very low | 114 Ų | 114 | 150.6 Ų | 150.6 | 61% | 0.61 | 79% | 0.788 | S | S | * | * | trans | -62.5 | 131.2 | -175.3 | -139.6 | -21.6 | 0 | 0 | 0 | 111.8 | N1945 | D1943-N1945 VanDerWaalsContact C-N 3.32Å; D1943-N1945 PolarHBondContact O-N 3.45Å | ||
| 1944 | Q | 22.9 | Very low | 21.6 | Very low | 183 Ų | 183 | 149.8 Ų | 149.8 | 86% | 0.855 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -80.2 | 73.9 | 177.3 | -71.2 | -173.6 | -10.2 | 0 | 0 | 109.7 | ||
| 1945 | N | 22.2 | Very low | 21.7 | Very low | 137 Ų | 137 | 151 Ų | 151 | 73% | 0.733 | 79% | 0.785 | S | S | * | * | trans | -155.7 | 38.2 | 174.3 | -98.6 | -22.7 | 0 | 0 | 0 | 115.1 | D1943 | D1943-N1945 VanDerWaalsContact C-N 3.32Å; D1943-N1945 PolarHBondContact O-N 3.45Å | ||
| 1946 | I | 22.2 | Very low | 21.8 | Very low | 158 Ų | 158 | 151.3 Ų | 151.3 | 81% | 0.81 | 78% | 0.782 | S | S | * | * | trans | -142.4 | 93.1 | 157.8 | -53.6 | 178.5 | 0 | 0 | 0 | 108.5 | P1948 | I1946-P1948 WeakPolarHBondContact O-CD 3.41Š| ||
| 1947 | F | 21.4 | Very low | 21.8 | Very low | 207 Ų | 207 | 153.6 Ų | 153.6 | 91% | 0.908 | 79% | 0.786 | S | S | * | * | trans | -77.3 | 112.4 | 157.5 | -95.7 | -87.7 | 0 | 0 | 0 | 107.4 | I1949 | F1947-I1949 PolarHBondContact O-N 2.92Š| ||
| 1948 | P | 21.5 | Very low | 22.1 | Very low | 94 Ų | 94 | 151.3 Ų | 151.3 | 61% | 0.61 | 77% | 0.773 | S | S | * | * | trans | -77 | 122.5 | 167.2 | 24.8 | -15.3 | 0 | 0 | 0 | 108.1 | I1946 F1950 | I1946-P1948 WeakPolarHBondContact O-CD 3.41Å; P1948-F1950 PolarHBondContact O-N 2.95Å | ||
| 1949 | I | 19.7 | Very low | 22.6 | Very low | 153 Ų | 153 | 144.8 Ų | 144.8 | 79% | 0.785 | 75% | 0.751 | S | S | * | * | trans | -51.2 | 104.2 | 171.8 | -63.7 | 155.7 | 0 | 0 | 0 | 109.1 | F1947 | F1947-I1949 PolarHBondContact O-N 2.92Š| ||
| 1950 | F | 19.8 | Very low | 23.2 | Very low | 182 Ų | 182 | 140.4 Ų | 140.4 | 80% | 0.798 | 72% | 0.721 | S | S | * | * | trans | -120.5 | 98.5 | 159 | -91 | -79.1 | 0 | 0 | 0 | 109.2 | P1948 I1952 | P1948-F1950 PolarHBondContact O-N 2.95Å; F1950-I1952 PolarHBondContact O-N 3.11Å; F1950-I1952 VanDerWaalsContact O-N 3.14Å | ||
| 1951 | L | 18.8 | Very low | 24.1 | Very low | 146 Ų | 146 | 135.6 Ų | 135.6 | 76% | 0.764 | 70% | 0.698 | S | S | * | * | trans | -65.8 | 95.4 | 171.1 | -143.9 | 92.7 | 0 | 0 | 0 | 108.2 | ||||
| 1952 | I | 21 | Very low | 25 | Very low | 143 Ų | 143 | 130.8 Ų | 130.8 | 73% | 0.733 | 67% | 0.672 | S | S | * | * | trans | -109.8 | 89.1 | 170.1 | -58.8 | 178.5 | 0 | 0 | 0 | 108.2 | F1950 N1954 | F1950-I1952 PolarHBondContact O-N 3.11Å; F1950-I1952 VanDerWaalsContact O-N 3.14Å; I1952-N1954 PolarHBondContact O-N 3.26Å | ||
| 1953 | T | 20.9 | Very low | 25.7 | Very low | 103 Ų | 103 | 128.2 Ų | 128.2 | 63% | 0.632 | 66% | 0.659 | S | S | * | * | trans | -75.7 | 93.9 | 166.7 | 49.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1954 | N | 22.4 | Very low | 26.4 | Very low | 142 Ų | 142 | 130.5 Ų | 130.5 | 76% | 0.759 | 67% | 0.666 | S | S | * | * | trans | -150.7 | 92.5 | 160 | -100 | -23.3 | 0 | 0 | 0 | 109.8 | I1952 N1956 | I1952-N1954 PolarHBondContact O-N 3.26Å; N1954-N1956 PolarHBondContact O-N 2.93Å; N1954-N1956 VanDerWaalsContact O-N 3.1Å | ||
| 1955 | H | 23.4 | Very low | 26.6 | Very low | 185 Ų | 185 | 127.9 Ų | 127.9 | 86% | 0.856 | 66% | 0.656 | S | S | * | * | trans | -72.3 | 87.4 | 172.6 | -68.2 | -78.2 | 0 | 0 | 0 | 110.2 | ||||
| 1956 | N | 25.6 | Very low | 26.8 | Very low | 139 Ų | 139 | 127.4 Ų | 127.4 | 74% | 0.743 | 65% | 0.652 | S | S | * | * | trans | -139 | 68.7 | 168.1 | -85.6 | -23.8 | 0 | 0 | 0 | 109.8 | N1954 L1958 | N1954-N1956 PolarHBondContact O-N 2.93Å; N1954-N1956 VanDerWaalsContact O-N 3.1Å; N1956-L1958 PolarHBondContact O-N 3.29Å | ||
| 1957 | M | 24.4 | Very low | 27.1 | Very low | 179 Ų | 179 | 125.7 Ų | 125.7 | 88% | 0.882 | 64% | 0.644 | S | S | * | * | trans | -88.9 | 96.1 | 169 | -78.8 | -72.9 | -155.9 | 0 | 0 | 109.1 | S1959 | M1957-S1959 PolarHBondContact O-N 3.48Š| ||
| 1958 | L | 29.3 | Very low | 27.4 | Very low | 119 Ų | 119 | 120.9 Ų | 120.9 | 62% | 0.623 | 63% | 0.628 | S | S | * | * | trans | -74.5 | 118.2 | 172.8 | -101.7 | 140.4 | 0 | 0 | 0 | 109.8 | N1956 L1960 | N1956-L1958 PolarHBondContact O-N 3.29Å; L1958-L1960 HydrophobicContact CD2-CD1 4.43Å | ||
| 1959 | S | 31.2 | Very low | 27.8 | Very low | 52 Ų | 52 | 122.6 Ų | 122.6 | 36% | 0.364 | 63% | 0.629 | S | S | . | * | trans | -87.8 | 112.3 | 173.1 | -63.3 | 0 | 0 | 0 | 0 | 109.5 | M1957 | M1957-S1959 PolarHBondContact O-N 3.48Š| ||
| 1960 | L | 33.9 | Very low | 28.3 | Very low | 31 Ų | 31 | 120.5 Ų | 120.5 | 16% | 0.162 | 62% | 0.619 | C | S | . | * | trans | -105.8 | 130.2 | 170.4 | -100.9 | 91.4 | 0 | 0 | 0 | 110.1 | V1809 M1827 A1904 L1958 | V1809-L1960 HydrophobicContact CG2-CD2 3.46Å; V1809-L1960 VanDerWaalsContact CG2-CD2 3.46Å; M1827-L1960 HydrophobicContact CE-CD1 4Å; M1827-L1960 HydrophobicContact CE-CD2 4.19Å; M1827-L1960 HydrophobicContact SD-CD1 4.16Å; M1827-L1960 HydrophobicContact SD-CD2 3.7Å; A1904-L1960 HydrophobicContact CB-CD2 3.47Å; A1904-L1960 VanDerWaalsContact CB-CD2 3.47Å; A1904-L1960 HydrophobicContact CB-CG 4.13Å; L1958-L1960 HydrophobicContact CD2-CD1 4.43Å | ||
| 1961 | V | 40.1 | Very low | 28.9 | Very low | 55 Ų | 55 | 116.1 Ų | 116.1 | 33% | 0.333 | 61% | 0.606 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -101.3 | 109.8 | 168.1 | -178.3 | 0 | 0 | 0 | 0 | 107.9 | A1904 L1905 I1919 I1963 | A1904-V1961 CarbonylContact C-O 3.55Å; A1904-V1961 WeakPolarHBondContact CA-O 3.38Å; A1904-V1961 WeakPolarHBondContact CB-O 3.43Å; L1905-V1961 PolarHBondContact N-O 3.14Å; L1905-V1961 PolarHBondContact O-N 3.49Å; I1919-V1961 HydrophobicContact CD1-CG2 3.72Å; V1961-I1963 HydrophobicContact CG1-CG1 4.3Å |
| 1962 | I | 38.9 | Very low | 29.7 | Very low | 70 Ų | 70 | 113.8 Ų | 113.8 | 36% | 0.359 | 59% | 0.594 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -79.6 | 131 | 175.6 | -60.5 | 165.3 | 0 | 0 | 0 | 108.7 | L1902 A1904 | L1902-I1962 HydrophobicContact CB-CG2 4.2Å; L1902-I1962 HydrophobicContact CD1-CD1 4.07Å; L1902-I1962 HydrophobicContact CD1-CG2 4.11Å; L1902-I1962 HydrophobicContact CD2-CG2 4.38Å; L1902-I1962 HydrophobicContact CG-CG2 4.47Å; A1904-I1962 HydrophobicContact CB-CG1 4.47Å |
| 1963 | I | 38.4 | Very low | 30.4 | Very low | 101 Ų | 101 | 111.4 Ų | 111.4 | 52% | 0.518 | 58% | 0.582 | S | S | . | * | trans | -117.9 | -38.4 | -173.4 | -51.4 | -169.4 | 0 | 0 | 0 | 112.2 | K1903 L1905 V1961 | K1903-I1963 PolarHBondContact O-N 3.27Å; L1905-I1963 HydrophobicContact CB-CD1 3.99Å; L1905-I1963 HydrophobicContact CD1-CD1 3.15Å; L1905-I1963 HydrophobicContact CD2-CD1 4.44Å; L1905-I1963 HydrophobicContact CG-CD1 3.26Å; L1905-I1963 HydrophobicContact CG-CG1 4.37Å; V1961-I1963 HydrophobicContact CG1-CG1 4.3Å | ||
| 1964 | E | 36.8 | Very low | 31.3 | Very low | 161 Ų | 161 | 112.2 Ų | 112.2 | 75% | 0.752 | 58% | 0.578 | S | S | * | * | trans | -137.5 | 0 | 179.4 | -99 | -176 | 165.8 | 0 | 0 | 111.9 | L1902 K1903 | L1902-E1964 CarbonylContact C-O 3.41Å; L1902-E1964 VanDerWaalsContact CA-O 3.22Å; L1902-E1964 WeakPolarHBondContact CA-O 3.28Å; K1903-E1964 HydrophobicContact CB-CB 4.26Å; K1903-E1964 PolarHBondContact N-O 3.48Å; K1903-E1964 IonicContact NZ-OE2 2.54Å; K1903-E1964 PolarHBondContact NZ-OE2 3.5Å; K1903-E1964 PolarHBondContact O-N 3.2Å |
Retrieved 1,964 of 1,964 residues in 1462.7 ms
(Link to these results)