| 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 | 79.9 | Confident | 90.8 | Very high | 106 Ų | 106 | 80.7 Ų | 80.7 | 52% | 0.522 | 37% | 0.374 | S | S | . | . | 0 | 129.6 | 0 | -65.3 | 174.4 | 71.9 | 0 | 0 | 109.1 | Q98 D99 E102 | M1-Q98 HydrophobicContact CE-CG 3.58Å; M1-Q98 HydrophobicContact CG-CG 4.45Å; M1-Q98 HydrophobicContact SD-CG 4.07Å; M1-D99 WeakPolarHBondContact CA-OD1 3.37Å; M1-D99 HydrophobicContact CG-CB 4.23Å; M1-D99 PolarHBondContact N-OD1 3.41Å; M1-D99 PolarHBondContact N-OD2 3.1Å; M1-E102 VanDerWaalsContact CE-CD 3.43Å; M1-E102 WeakPolarHBondContact CE-OE1 3.45Å; M1-E102 VanDerWaalsContact CE-OE2 3.29Å; M1-E102 WeakPolarHBondContact CE-OE2 3.48Å | |||
| 2 | P | 91.6 | Very high | 91.2 | Very high | 18 Ų | 18 | 74.3 Ų | 74.3 | 12% | 0.117 | 35% | 0.346 | C | S | . | . | trans | -61.9 | 144 | 172.1 | 26.6 | -32.3 | 0 | 0 | 0 | 110.3 | I10 C11 D99 E102 W103 | P2-I10 HydrophobicContact CB-CG2 3.72Å; P2-C11 CarbonylContact C-O 3.57Å; P2-C11 WeakPolarHBondContact CA-O 3.42Å; P2-D99 WeakPolarHBondContact CD-OD1 3.5Å; P2-E102 WeakPolarHBondContact CD-OE2 3.18Å; P2-E102 HydrophobicContact CG-CB 3.64Å; P2-W103 HydrophobicContact CB-CD2 4.05Å; P2-W103 HydrophobicContact CB-CG 4.49Å; P2-W103 HydrophobicContact CB-CH2 4.42Å; P2-W103 HydrophobicContact CB-CZ2 3.9Å; P2-W103 HydrophobicContact CG-CD2 4.23Å; P2-W103 HydrophobicContact CG-CG 4.18Å | ||
| 3 | Y | 93.4 | Very high | 91.5 | Very high | 108 Ų | 108 | 72.7 Ų | 72.7 | 42% | 0.424 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 165 | 176.6 | 63.8 | -93.9 | 0 | 0 | 0 | 110.7 | I10 C11 Y29 | Y3-I10 CarbonylContact O-C 3.47Å; Y3-C11 HydrophobicContact CE2-CB 4.42Å; Y3-C11 PolarHBondContact N-O 2.88Å; Y3-C11 PolarHBondContact O-N 3.26Å; Y3-Y29 WeakPolarHBondContact OH-CE2 3.4Å; Y3-Y29 PolarHBondContact OH-OH 3.31Å |
| 4 | V | 93.3 | Very high | 91.8 | Very high | 87 Ų | 87 | 67.6 Ų | 67.6 | 53% | 0.527 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 127.2 | 179.6 | -177.6 | 0 | 0 | 0 | 0 | 109.9 | N8 R9 I10 | V4-N8 HydrophobicContact CG1-CB 4.44Å; V4-R9 CarbonylContact C-O 3.56Å; V4-R9 VanDerWaalsContact CA-O 3.31Å; V4-R9 WeakPolarHBondContact CA-O 3.43Å; V4-I10 HydrophobicContact CG2-CG1 4.49Å |
| 5 | D | 90.3 | Very high | 92 | Very high | 19 Ų | 19 | 64 Ų | 64 | 10% | 0.102 | 30% | 0.298 | C | S | . | . | trans | -79.8 | 177.8 | 174.9 | 77.7 | 4.3 | 0 | 0 | 0 | 112.7 | Q7 N8 R9 C11 | D5-Q7 PolarHBondContact O-N 3.49Å; D5-Q7 VanDerWaalsContact O-N 3.11Å; D5-Q7 VanDerWaalsContact OD1-CA 3.29Å; D5-Q7 WeakPolarHBondContact OD1-CA 3.42Å; D5-Q7 WeakPolarHBondContact OD1-CB 3.33Å; D5-Q7 PolarHBondContact OD1-N 3.3Å; D5-Q7 PolarHBondContact OD2-OE1 2.8Å; D5-N8 PolarHBondContact O-N 3.1Å; D5-N8 PolarHBondContact OD1-N 3.09Å; D5-R9 PolarHBondContact N-O 3.05Å; D5-R9 WeakPolarHBondContact OD1-CB 3.32Å; D5-R9 PolarHBondContact OD1-N 3.3Å; D5-R9 IonicContact OD1-NE 3.77Å; D5-R9 IonicContact OD2-CZ 3.3Å; D5-R9 VanDerWaalsContact OD2-CZ 3.3Å; D5-R9 IonicContact OD2-NE 2.92Å; D5-R9 PolarHBondContact OD2-NE 2.99Å; D5-R9 IonicContact OD2-NH2 2.79Å; D5-R9 PolarHBondContact OD2-NH2 3.19Å; D5-C11 PolarHBondContact OD2-SG 3.47Å | ||
| 6 | R | 88.3 | Confident | 92.1 | Very high | 220 Ų | 220 | 60 Ų | 60 | 83% | 0.83 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -14.5 | 179.5 | -64.3 | -177.3 | -176.8 | 168.2 | 0.5 | 113.8 | ||
| 7 | Q | 88.1 | Confident | 92.2 | Very high | 96 Ų | 96 | 56.5 Ų | 56.5 | 45% | 0.449 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | 10.4 | 177.5 | -67.8 | 76.8 | 44.8 | 0 | 0 | 112 | D5 R9 | D5-Q7 PolarHBondContact O-N 3.49Å; D5-Q7 VanDerWaalsContact O-N 3.11Å; D5-Q7 VanDerWaalsContact OD1-CA 3.29Å; D5-Q7 WeakPolarHBondContact OD1-CA 3.42Å; D5-Q7 WeakPolarHBondContact OD1-CB 3.33Å; D5-Q7 PolarHBondContact OD1-N 3.3Å; D5-Q7 PolarHBondContact OD2-OE1 2.8Å; Q7-R9 VanDerWaalsContact C-N 3.26Å; Q7-R9 HydrophobicContact CB-CG 4.17Å; Q7-R9 PolarHBondContact O-N 2.98Å |
| 8 | N | 89.3 | Confident | 91.8 | Very high | 135 Ų | 135 | 55.8 Ų | 55.8 | 72% | 0.722 | 26% | 0.259 | S | S | * | . | S | Bend | trans | 61.1 | 29.4 | -175 | -64.7 | -54.1 | 0 | 0 | 0 | 114 | V4 D5 | V4-N8 HydrophobicContact CG1-CB 4.44Å; D5-N8 PolarHBondContact O-N 3.1Å; D5-N8 PolarHBondContact OD1-N 3.09Å |
| 9 | R | 93.6 | Very high | 91.4 | Very high | 61 Ų | 61 | 58.7 Ų | 58.7 | 23% | 0.23 | 28% | 0.277 | C | S | . | . | trans | -100.5 | 149.5 | 175 | -55.3 | 176.8 | -58.5 | 179.8 | 3 | 109.9 | V4 D5 Q7 C11 I31 D33 | V4-R9 CarbonylContact C-O 3.56Å; V4-R9 VanDerWaalsContact CA-O 3.31Å; V4-R9 WeakPolarHBondContact CA-O 3.43Å; D5-R9 PolarHBondContact N-O 3.05Å; D5-R9 WeakPolarHBondContact OD1-CB 3.32Å; D5-R9 PolarHBondContact OD1-N 3.3Å; D5-R9 IonicContact OD1-NE 3.77Å; D5-R9 IonicContact OD2-CZ 3.3Å; D5-R9 VanDerWaalsContact OD2-CZ 3.3Å; D5-R9 IonicContact OD2-NE 2.92Å; D5-R9 PolarHBondContact OD2-NE 2.99Å; D5-R9 IonicContact OD2-NH2 2.79Å; D5-R9 PolarHBondContact OD2-NH2 3.19Å; Q7-R9 VanDerWaalsContact C-N 3.26Å; Q7-R9 HydrophobicContact CB-CG 4.17Å; Q7-R9 PolarHBondContact O-N 2.98Å; R9-C11 PolarHBondContact O-SG 2.87Å; R9-I31 HydrophobicContact CB-CG2 4.05Å; R9-D33 WeakPolarHBondContact CD-OD2 3.16Å; R9-D33 HydrophobicContact CG-CB 4.46Å | ||
| 10 | I | 95.1 | Very high | 90.8 | Very high | 38 Ų | 38 | 60.4 Ų | 60.4 | 20% | 0.195 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 123.2 | 179.8 | -60.3 | 173.4 | 0 | 0 | 0 | 108.2 | P2 Y3 V4 L32 V106 | P2-I10 HydrophobicContact CB-CG2 3.72Å; Y3-I10 CarbonylContact O-C 3.47Å; V4-I10 HydrophobicContact CG2-CG1 4.49Å; I10-L32 HydrophobicContact CB-CB 4.17Å; I10-L32 HydrophobicContact CB-CD2 4.33Å; I10-L32 HydrophobicContact CD1-CD2 4.29Å; I10-L32 PolarHBondContact N-O 3.46Å; I10-L32 WeakPolarHBondContact O-CB 3.22Å; I10-L32 PolarHBondContact O-N 2.84Å; I10-V106 HydrophobicContact CD1-CB 3.76Å; I10-V106 HydrophobicContact CD1-CG1 3.8Å; I10-V106 HydrophobicContact CD1-CG2 4.5Å; I10-V106 HydrophobicContact CG2-CB 4.43Å; I10-V106 HydrophobicContact CG2-CG1 4.46Å; I10-V106 HydrophobicContact CG2-CG2 4.09Å |
| 11 | C | 96 | Very high | 90.3 | Very high | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 154.5 | -169.3 | -54.3 | 0 | 0 | 0 | 0 | 111.5 | P2 Y3 D5 R9 Y29 F30 I31 | P2-C11 CarbonylContact C-O 3.57Å; P2-C11 WeakPolarHBondContact CA-O 3.42Å; Y3-C11 HydrophobicContact CE2-CB 4.42Å; Y3-C11 PolarHBondContact N-O 2.88Å; Y3-C11 PolarHBondContact O-N 3.26Å; D5-C11 PolarHBondContact OD2-SG 3.47Å; R9-C11 PolarHBondContact O-SG 2.87Å; C11-Y29 HydrophobicContact CB-CE1 4.01Å; C11-Y29 VanDerWaalsContact CB-OH 3.27Å; C11-Y29 WeakPolarHBondContact CB-OH 3.44Å; C11-F30 CarbonylContact C-O 3.52Å; C11-F30 WeakPolarHBondContact CA-O 3.37Å; C11-I31 HydrophobicContact CB-CG1 4.46Å |
| 12 | G | 95.3 | Very high | 90.5 | Very high | 3 Ų | 3 | 60.9 Ų | 60.9 | 3% | 0.031 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 166.9 | 174.2 | 173 | 0 | 0 | 0 | 0 | 0 | 113.2 | F30 | G12-F30 PolarHBondContact N-O 3.45Å; G12-F30 PolarHBondContact O-N 3.48Å |
| 13 | F | 95.1 | Very high | 90.1 | Very high | 54 Ų | 54 | 62.5 Ų | 62.5 | 24% | 0.237 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 134.3 | 177 | -72.6 | -82.1 | 0 | 0 | 0 | 111.5 | R27 R28 Y29 N95 | F13-R27 HydrophobicContact CD1-CG 3.99Å; F13-R28 WeakPolarHBondContact CA-O 3.14Å; F13-Y29 HydrophobicContact CD1-CD2 4.19Å; F13-Y29 AromaticContact CD2-CD2 3.91Å; F13-Y29 HydrophobicContact CD2-CD2 3.91Å; F13-Y29 HydrophobicContact CD2-CE2 4.47Å; F13-Y29 AromaticContact CE1-CD2 3.95Å; F13-Y29 HydrophobicContact CE1-CD2 3.95Å; F13-Y29 HydrophobicContact CE1-CG 4.38Å; F13-Y29 AromaticContact CE2-CD2 3.65Å; F13-Y29 HydrophobicContact CE2-CD2 3.65Å; F13-Y29 HydrophobicContact CE2-CE2 4.19Å; F13-Y29 HydrophobicContact CG-CD2 4.18Å; F13-Y29 AromaticContact CZ-CD2 3.67Å; F13-Y29 HydrophobicContact CZ-CD2 3.67Å; F13-Y29 HydrophobicContact CZ-CG 4.42Å; F13-N95 PolarHBondContact O-ND2 2.95Å |
| 14 | L | 95.8 | Very high | 89.7 | Confident | 1 Ų | 1 | 61.1 Ų | 61.1 | 1% | 0.005 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 155.8 | 168.4 | -68.8 | 170.6 | 0 | 0 | 0 | 108.6 | R28 F30 F81 L92 A94 W103 | L14-R28 PolarHBondContact N-O 3.13Å; L14-R28 PolarHBondContact O-N 3.15Å; L14-R28 VanDerWaalsContact O-O 3.1Å; L14-F30 HydrophobicContact CB-CD2 3.67Å; L14-F30 HydrophobicContact CB-CE2 3.64Å; L14-F30 HydrophobicContact CD1-CD2 4.02Å; L14-F30 HydrophobicContact CD1-CE2 4.34Å; L14-F30 HydrophobicContact CD1-CG 4.22Å; L14-F30 HydrophobicContact CG-CD2 4.18Å; L14-F81 HydrophobicContact CD1-CE1 4.29Å; L14-F81 HydrophobicContact CD1-CZ 3.81Å; L14-F81 HydrophobicContact CD2-CE1 4.01Å; L14-F81 HydrophobicContact CD2-CZ 4.37Å; L14-L92 HydrophobicContact CB-CD2 4.47Å; L14-L92 HydrophobicContact CD1-CD2 3.78Å; L14-A94 HydrophobicContact CD2-CB 4.08Å; L14-W103 HydrophobicContact CD1-CD2 3.67Å; L14-W103 HydrophobicContact CD1-CE3 4.02Å; L14-W103 HydrophobicContact CD1-CG 4.03Å; L14-W103 HydrophobicContact CD1-CH2 4.38Å; L14-W103 HydrophobicContact CD1-CZ2 4.04Å; L14-W103 HydrophobicContact CD1-CZ3 4.37Å; L14-W103 VanDerWaalsContact CD2-CD1 3.49Å; L14-W103 HydrophobicContact CD2-CD2 4.32Å; L14-W103 HydrophobicContact CD2-CG 3.97Å; L14-W103 HydrophobicContact CG-CD2 4.18Å; L14-W103 HydrophobicContact CG-CG 4.35Å; L14-W103 HydrophobicContact CG-CZ2 4.13Å |
| 15 | D | 94.8 | Very high | 89.7 | Confident | 14 Ų | 14 | 57.8 Ų | 57.8 | 8% | 0.075 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 126.1 | 171.8 | -45.3 | -40.2 | 0 | 0 | 0 | 108.5 | F25 L26 R27 L92 Q93 | D15-F25 HydrophobicContact CB-CB 3.98Å; D15-L26 CarbonylContact C-O 3.35Å; D15-L26 WeakPolarHBondContact CA-O 3.43Å; D15-R27 VanDerWaalsContact OD1-CA 3.29Å; D15-R27 WeakPolarHBondContact OD1-CA 3.35Å; D15-R27 WeakPolarHBondContact OD1-CB 3.21Å; D15-R27 WeakPolarHBondContact OD1-CG 3.47Å; D15-R27 IonicContact OD1-CZ 3.89Å; D15-R27 IonicContact OD1-NH1 2.92Å; D15-R27 PolarHBondContact OD1-NH1 3.48Å; D15-R27 IonicContact OD2-NH1 3.65Å; D15-L92 CarbonylContact O-C 3.55Å; D15-L92 VanDerWaalsContact O-CA 3.3Å; D15-L92 WeakPolarHBondContact O-CA 2.82Å; D15-Q93 HydrophobicContact CB-CB 4.24Å; D15-Q93 PolarHBondContact N-O 3.32Å; D15-Q93 PolarHBondContact O-N 2.72Å |
| 16 | I | 94.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 136.4 | -172.6 | -179.6 | 165.9 | 0 | 0 | 0 | 111.5 | E18 F25 L26 R28 F30 W41 Y90 L92 | I16-E18 HydrophobicContact CG1-CG 4.45Å; I16-E18 HydrophobicContact CG2-CG 3.94Å; I16-E18 PolarHBondContact O-N 3.03Å; I16-F25 WeakPolarHBondContact O-CA 3.44Å; I16-L26 WeakPolarHBondContact CG2-O 3.28Å; I16-L26 PolarHBondContact N-O 3.39Å; I16-L26 PolarHBondContact O-N 2.65Å; I16-R28 HydrophobicContact CG2-CB 4.23Å; I16-R28 HydrophobicContact CG2-CG 3.57Å; I16-F30 HydrophobicContact CB-CE2 4.4Å; I16-F30 HydrophobicContact CB-CZ 3.94Å; I16-F30 HydrophobicContact CD1-CE1 4.27Å; I16-F30 HydrophobicContact CD1-CZ 3.78Å; I16-F30 HydrophobicContact CG1-CZ 4.44Å; I16-F30 HydrophobicContact CG2-CE2 4.29Å; I16-F30 HydrophobicContact CG2-CZ 3.97Å; I16-W41 HydrophobicContact CD1-CZ2 4.26Å; I16-Y90 HydrophobicContact CD1-CD1 3.99Å; I16-L92 HydrophobicContact CB-CD2 4.46Å; I16-L92 HydrophobicContact CB-CG 4.49Å; I16-L92 HydrophobicContact CD1-CD2 4.26Å; I16-L92 HydrophobicContact CD1-CG 4.45Å; I16-L92 HydrophobicContact CG1-CG 4.35Å |
| 17 | E | 92.7 | Very high | 90 | Very high | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 87.2 | 168.1 | -162.7 | -174.2 | 163.9 | 0 | 0 | 108.4 | N19 N21 S22 G23 F25 R74 F91 | E17-N19 VanDerWaalsContact C-N 3.31Å; E17-N19 WeakPolarHBondContact CG-O 3.45Å; E17-N19 PolarHBondContact O-N 2.93Å; E17-N21 VanDerWaalsContact OE1-C 3.27Å; E17-N21 WeakPolarHBondContact OE1-CA 3.47Å; E17-N21 PolarHBondContact OE1-N 3.23Å; E17-S22 WeakPolarHBondContact CG-OG 3.41Å; E17-S22 PolarHBondContact OE1-N 3.42Å; E17-G23 PolarHBondContact OE1-N 3.1Å; E17-F25 HydrophobicContact CB-CD1 4.14Å; E17-F25 HydrophobicContact CB-CE1 3.85Å; E17-F25 HydrophobicContact CB-CZ 4.06Å; E17-R74 IonicContact OE1-NH2 3.53Å; E17-R74 PolarHBondContact OE1-NH2 2.88Å; E17-R74 IonicContact OE2-CZ 3.85Å; E17-R74 IonicContact OE2-NE 3.79Å; E17-R74 IonicContact OE2-NH2 3.41Å; E17-R74 PolarHBondContact OE2-NH2 3.16Å; E17-R74 VanDerWaalsContact OE2-NH2 3.15Å; E17-F91 HydrophobicContact CB-CB 4.04Å; E17-F91 PolarHBondContact N-O 2.77Å |
| 18 | E | 85.9 | Confident | 90.4 | Very high | 43 Ų | 43 | 45.6 Ų | 45.6 | 20% | 0.201 | 24% | 0.24 | C | C | . | . | trans | -64.5 | -36 | -174.7 | -65.9 | -176.2 | 175.9 | 0 | 0 | 112.5 | I16 R28 V56 R88 | I16-E18 HydrophobicContact CG1-CG 4.45Å; I16-E18 HydrophobicContact CG2-CG 3.94Å; I16-E18 PolarHBondContact O-N 3.03Å; E18-R28 IonicContact OE1-CZ 3.66Å; E18-R28 IonicContact OE1-NE 2.74Å; E18-R28 PolarHBondContact OE1-NE 3.18Å; E18-R28 IonicContact OE1-NH2 3.4Å; E18-R28 PolarHBondContact OE1-NH2 3.32Å; E18-R28 VanDerWaalsContact OE1-NH2 3.09Å; E18-R28 IonicContact OE2-NH2 2.68Å; E18-V56 WeakPolarHBondContact OE1-CG1 3.43Å; E18-R88 PolarHBondContact O-NH2 3.04Å | ||
| 19 | N | 83.6 | Confident | 90.6 | Very high | 112 Ų | 112 | 39.4 Ų | 39.4 | 60% | 0.599 | 21% | 0.207 | S | C | * | . | S | Bend | trans | -102.5 | 117.5 | 175.8 | -67.2 | 76.7 | 0 | 0 | 0 | 109.5 | E17 N21 S22 | E17-N19 VanDerWaalsContact C-N 3.31Å; E17-N19 WeakPolarHBondContact CG-O 3.45Å; E17-N19 PolarHBondContact O-N 2.93Å; N19-N21 PolarHBondContact O-N 2.79Å; N19-S22 VanDerWaalsContact O-CB 3.29Å; N19-S22 WeakPolarHBondContact O-CB 3.43Å; N19-S22 PolarHBondContact O-N 2.79Å; N19-S22 VanDerWaalsContact O-N 3.1Å; N19-S22 PolarHBondContact O-OG 2.8Å |
| 20 | E | 80.6 | Confident | 90.8 | Very high | 91 Ų | 91 | 36.5 Ų | 36.5 | 43% | 0.425 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | 131.8 | 179.7 | -157.7 | -179.1 | 174.7 | 0 | 0 | 110.6 | S22 | E20-S22 PolarHBondContact O-N 2.93Š|
| 21 | N | 79.9 | Confident | 90.8 | Very high | 118 Ų | 118 | 34.8 Ų | 34.8 | 63% | 0.631 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 67.8 | 8.9 | -179.1 | -56.4 | 95.1 | 0 | 0 | 0 | 116.2 | E17 N19 G23 | E17-N21 VanDerWaalsContact OE1-C 3.27Å; E17-N21 WeakPolarHBondContact OE1-CA 3.47Å; E17-N21 PolarHBondContact OE1-N 3.23Å; N19-N21 PolarHBondContact O-N 2.79Å; N21-G23 PolarHBondContact O-N 2.79Å |
| 22 | S | 84.3 | Confident | 90.8 | Very high | 59 Ų | 59 | 34.8 Ų | 34.8 | 41% | 0.413 | 19% | 0.187 | S | C | . | . | trans | -66.4 | -29.9 | 172.5 | 64.2 | 0 | 0 | 0 | 0 | 112.4 | E17 N19 E20 K24 | E17-S22 WeakPolarHBondContact CG-OG 3.41Å; E17-S22 PolarHBondContact OE1-N 3.42Å; N19-S22 VanDerWaalsContact O-CB 3.29Å; N19-S22 WeakPolarHBondContact O-CB 3.43Å; N19-S22 PolarHBondContact O-N 2.79Å; N19-S22 VanDerWaalsContact O-N 3.1Å; N19-S22 PolarHBondContact O-OG 2.8Å; E20-S22 PolarHBondContact O-N 2.93Å; S22-K24 PolarHBondContact O-N 2.88Å; S22-K24 VanDerWaalsContact O-N 3.16Å; S22-K24 PolarHBondContact OG-N 2.83Å | ||
| 23 | G | 81.8 | Confident | 90.7 | Very high | 53 Ų | 53 | 35.6 Ų | 35.6 | 55% | 0.546 | 19% | 0.191 | S | C | . | . | trans | 64.6 | 6.8 | -170 | 0 | 0 | 0 | 0 | 0 | 114 | E17 N21 | E17-G23 PolarHBondContact OE1-N 3.1Å; N21-G23 PolarHBondContact O-N 2.79Å | ||
| 24 | K | 86.8 | Confident | 90.4 | Very high | 78 Ų | 78 | 37 Ų | 37 | 34% | 0.339 | 20% | 0.204 | S | C | . | . | trans | -101.2 | 119.3 | 178.4 | 179.2 | 169.4 | 176.3 | 149 | 0 | 109 | S22 D252 | S22-K24 PolarHBondContact O-N 2.88Å; S22-K24 VanDerWaalsContact O-N 3.16Å; S22-K24 PolarHBondContact OG-N 2.83Å; K24-D252 VanDerWaalsContact CD-OD1 3.32Å; K24-D252 WeakPolarHBondContact CD-OD1 3.48Å; K24-D252 WeakPolarHBondContact CE-OD1 3.3Å; K24-D252 IonicContact NZ-OD1 3.15Å; K24-D252 PolarHBondContact NZ-OD1 2.87Å | ||
| 25 | F | 91.4 | Very high | 90 | Very high | 17 Ų | 17 | 46.8 Ų | 46.8 | 8% | 0.075 | 24% | 0.241 | C | C | . | . | trans | -98.3 | 138.9 | 177 | -71.3 | -96.4 | 0 | 0 | 0 | 109.9 | D15 I16 E17 A77 F91 Q93 M255 | D15-F25 HydrophobicContact CB-CB 3.98Å; I16-F25 WeakPolarHBondContact O-CA 3.44Å; E17-F25 HydrophobicContact CB-CD1 4.14Å; E17-F25 HydrophobicContact CB-CE1 3.85Å; E17-F25 HydrophobicContact CB-CZ 4.06Å; F25-A77 HydrophobicContact CE2-CB 4.13Å; F25-A77 HydrophobicContact CZ-CB 4.05Å; F25-F91 HydrophobicContact CE1-CB 4.14Å; F25-F91 HydrophobicContact CZ-CB 4.21Å; F25-Q93 HydrophobicContact CD1-CB 4.15Å; F25-Q93 HydrophobicContact CE1-CB 4.24Å; F25-M255 HydrophobicContact CB-CE 4.1Å; F25-M255 HydrophobicContact CB-SD 3.69Å | ||
| 26 | L | 92.6 | Very high | 89.8 | Confident | 15 Ų | 15 | 52.6 Ų | 52.6 | 8% | 0.079 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 128.5 | 177.8 | -65.2 | 175.4 | 0 | 0 | 0 | 109 | D15 I16 R28 D257 | D15-L26 CarbonylContact C-O 3.35Å; D15-L26 WeakPolarHBondContact CA-O 3.43Å; I16-L26 WeakPolarHBondContact CG2-O 3.28Å; I16-L26 PolarHBondContact N-O 3.39Å; I16-L26 PolarHBondContact O-N 2.65Å; L26-R28 PolarHBondContact O-N 2.85Å; L26-D257 HydrophobicContact CD1-CB 4.21Å; L26-D257 HydrophobicContact CD2-CB 3.98Å |
| 27 | R | 93.8 | Very high | 89.7 | Confident | 62 Ų | 62 | 55.2 Ų | 55.2 | 23% | 0.234 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 122.4 | 177.8 | -172.5 | 163.4 | -165.1 | 89.5 | -9.1 | 109.7 | F13 D15 N95 M255 | F13-R27 HydrophobicContact CD1-CG 3.99Å; D15-R27 VanDerWaalsContact OD1-CA 3.29Å; D15-R27 WeakPolarHBondContact OD1-CA 3.35Å; D15-R27 WeakPolarHBondContact OD1-CB 3.21Å; D15-R27 WeakPolarHBondContact OD1-CG 3.47Å; D15-R27 IonicContact OD1-CZ 3.89Å; D15-R27 IonicContact OD1-NH1 2.92Å; D15-R27 PolarHBondContact OD1-NH1 3.48Å; D15-R27 IonicContact OD2-NH1 3.65Å; R27-N95 PolarHBondContact NH1-OD1 2.88Å; R27-N95 VanDerWaalsContact NH1-OD1 3.08Å; R27-N95 PolarHBondContact NH2-OD1 2.81Å; R27-M255 HydrophobicContact CB-CB 4.04Å; R27-M255 WeakPolarHBondContact CB-O 3.42Å; R27-M255 PolarHBondContact N-O 2.79Å |
| 28 | R | 94.9 | Very high | 89.8 | Confident | 2 Ų | 2 | 56 Ų | 56 | 1% | 0.008 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 152.2 | 179.7 | -58.4 | -64.1 | -176.2 | -132.3 | 12.2 | 110.8 | F13 L14 I16 E18 L26 F30 W41 Y42 D257 | F13-R28 WeakPolarHBondContact CA-O 3.14Å; L14-R28 PolarHBondContact N-O 3.13Å; L14-R28 PolarHBondContact O-N 3.15Å; L14-R28 VanDerWaalsContact O-O 3.1Å; I16-R28 HydrophobicContact CG2-CB 4.23Å; I16-R28 HydrophobicContact CG2-CG 3.57Å; E18-R28 IonicContact OE1-CZ 3.66Å; E18-R28 IonicContact OE1-NE 2.74Å; E18-R28 PolarHBondContact OE1-NE 3.18Å; E18-R28 IonicContact OE1-NH2 3.4Å; E18-R28 PolarHBondContact OE1-NH2 3.32Å; E18-R28 VanDerWaalsContact OE1-NH2 3.09Å; E18-R28 IonicContact OE2-NH2 2.68Å; L26-R28 PolarHBondContact O-N 2.85Å; R28-F30 HydrophobicContact CB-CD2 4.22Å; R28-F30 HydrophobicContact CB-CE2 3.69Å; R28-F30 HydrophobicContact CB-CZ 4.35Å; R28-W41 HydrophobicContact CB-CB 4.1Å; R28-W41 HydrophobicContact CB-CG 4.24Å; R28-Y42 WeakPolarHBondContact CA-O 3.39Å; R28-D257 IonicContact CZ-OD1 2.76Å; R28-D257 IonicContact CZ-OD2 2.76Å; R28-D257 IonicContact NH1-OD1 3.09Å; R28-D257 PolarHBondContact NH1-OD1 3.37Å; R28-D257 IonicContact NH1-OD2 3.79Å; R28-D257 VanDerWaalsContact NH2-CG 3.32Å; R28-D257 IonicContact NH2-OD1 3.56Å; R28-D257 PolarHBondContact NH2-OD1 3.12Å; R28-D257 IonicContact NH2-OD2 3.61Å; R28-D257 PolarHBondContact NH2-OD2 3.25Å |
| 29 | Y | 94.4 | Very high | 90.3 | Very high | 5 Ų | 5 | 54 Ų | 54 | 2% | 0.02 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 110.5 | 173.1 | -172.9 | -91.6 | 0 | 0 | 0 | 109.3 | Y3 C11 F13 I31 W41 Y42 D44 N45 | Y3-Y29 WeakPolarHBondContact OH-CE2 3.4Å; Y3-Y29 PolarHBondContact OH-OH 3.31Å; C11-Y29 HydrophobicContact CB-CE1 4.01Å; C11-Y29 VanDerWaalsContact CB-OH 3.27Å; C11-Y29 WeakPolarHBondContact CB-OH 3.44Å; F13-Y29 HydrophobicContact CD1-CD2 4.19Å; F13-Y29 AromaticContact CD2-CD2 3.91Å; F13-Y29 HydrophobicContact CD2-CD2 3.91Å; F13-Y29 HydrophobicContact CD2-CE2 4.47Å; F13-Y29 AromaticContact CE1-CD2 3.95Å; F13-Y29 HydrophobicContact CE1-CD2 3.95Å; F13-Y29 HydrophobicContact CE1-CG 4.38Å; F13-Y29 AromaticContact CE2-CD2 3.65Å; F13-Y29 HydrophobicContact CE2-CD2 3.65Å; F13-Y29 HydrophobicContact CE2-CE2 4.19Å; F13-Y29 HydrophobicContact CG-CD2 4.18Å; F13-Y29 AromaticContact CZ-CD2 3.67Å; F13-Y29 HydrophobicContact CZ-CD2 3.67Å; F13-Y29 HydrophobicContact CZ-CG 4.42Å; Y29-I31 HydrophobicContact CD1-CD1 4.22Å; Y29-I31 HydrophobicContact CD1-CG1 3.87Å; Y29-I31 HydrophobicContact CE1-CD1 3.9Å; Y29-I31 HydrophobicContact CE1-CG1 3.61Å; Y29-W41 CarbonylContact O-C 3.32Å; Y29-W41 WeakPolarHBondContact O-CA 3.42Å; Y29-Y42 PolarHBondContact N-O 2.95Å; Y29-Y42 PolarHBondContact O-N 3.36Å; Y29-D44 VanDerWaalsContact CB-C 3.46Å; Y29-N45 HydrophobicContact CD1-CB 4.4Å; Y29-N45 HydrophobicContact CD2-CB 3.96Å; Y29-N45 HydrophobicContact CE1-CB 4.38Å; Y29-N45 HydrophobicContact CE2-CB 3.95Å; Y29-N45 HydrophobicContact CG-CB 4.17Å |
| 30 | F | 96.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 144.1 | 179.6 | -73.9 | -99.9 | 0 | 0 | 0 | 111 | C11 G12 L14 I16 R28 L39 V40 W41 L92 W103 | C11-F30 CarbonylContact C-O 3.52Å; C11-F30 WeakPolarHBondContact CA-O 3.37Å; G12-F30 PolarHBondContact N-O 3.45Å; G12-F30 PolarHBondContact O-N 3.48Å; L14-F30 HydrophobicContact CB-CD2 3.67Å; L14-F30 HydrophobicContact CB-CE2 3.64Å; L14-F30 HydrophobicContact CD1-CD2 4.02Å; L14-F30 HydrophobicContact CD1-CE2 4.34Å; L14-F30 HydrophobicContact CD1-CG 4.22Å; L14-F30 HydrophobicContact CG-CD2 4.18Å; I16-F30 HydrophobicContact CB-CE2 4.4Å; I16-F30 HydrophobicContact CB-CZ 3.94Å; I16-F30 HydrophobicContact CD1-CE1 4.27Å; I16-F30 HydrophobicContact CD1-CZ 3.78Å; I16-F30 HydrophobicContact CG1-CZ 4.44Å; I16-F30 HydrophobicContact CG2-CE2 4.29Å; I16-F30 HydrophobicContact CG2-CZ 3.97Å; R28-F30 HydrophobicContact CB-CD2 4.22Å; R28-F30 HydrophobicContact CB-CE2 3.69Å; R28-F30 HydrophobicContact CB-CZ 4.35Å; F30-L39 HydrophobicContact CB-CD1 4.46Å; F30-L39 HydrophobicContact CD1-CD1 4.03Å; F30-L39 HydrophobicContact CD1-CD2 4.22Å; F30-L39 HydrophobicContact CD1-CG 4.08Å; F30-L39 HydrophobicContact CE1-CD2 4.49Å; F30-V40 CarbonylContact C-O 3.49Å; F30-V40 WeakPolarHBondContact CA-O 3.48Å; F30-W41 HydrophobicContact CD1-CB 3.67Å; F30-W41 HydrophobicContact CD1-CD2 4.4Å; F30-W41 HydrophobicContact CD1-CE3 4.13Å; F30-W41 HydrophobicContact CD1-CG 4.27Å; F30-W41 HydrophobicContact CD2-CB 4.08Å; F30-W41 HydrophobicContact CE1-CB 3.7Å; F30-W41 AromaticContact CE1-CD2 3.72Å; F30-W41 HydrophobicContact CE1-CD2 3.72Å; F30-W41 AromaticContact CE1-CE3 3.6Å; F30-W41 HydrophobicContact CE1-CE3 3.6Å; F30-W41 AromaticContact CE1-CG 3.81Å; F30-W41 HydrophobicContact CE1-CG 3.81Å; F30-W41 HydrophobicContact CE1-CZ3 4.44Å; F30-W41 HydrophobicContact CE2-CB 4.12Å; F30-W41 HydrophobicContact CE2-CG 4.45Å; F30-W41 HydrophobicContact CG-CB 3.86Å; F30-W41 HydrophobicContact CZ-CB 3.91Å; F30-W41 HydrophobicContact CZ-CD2 4.09Å; F30-W41 HydrophobicContact CZ-CE3 4.4Å; F30-W41 AromaticContact CZ-CG 3.9Å; F30-W41 HydrophobicContact CZ-CG 3.9Å; F30-L92 HydrophobicContact CE1-CD2 3.81Å; F30-L92 HydrophobicContact CE2-CD2 4.19Å; F30-L92 HydrophobicContact CZ-CD2 3.61Å; F30-W103 HydrophobicContact CB-CH2 3.65Å; F30-W103 HydrophobicContact CB-CZ2 4.24Å; F30-W103 HydrophobicContact CB-CZ3 4.33Å |
| 31 | I | 96.4 | Very high | 91.6 | Very high | 3 Ų | 3 | 45.9 Ų | 45.9 | 2% | 0.015 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 115.2 | 171.7 | -57.9 | 179.3 | 0 | 0 | 0 | 106.6 | R9 C11 Y29 V40 Y42 P46 | R9-I31 HydrophobicContact CB-CG2 4.05Å; C11-I31 HydrophobicContact CB-CG1 4.46Å; Y29-I31 HydrophobicContact CD1-CD1 4.22Å; Y29-I31 HydrophobicContact CD1-CG1 3.87Å; Y29-I31 HydrophobicContact CE1-CD1 3.9Å; Y29-I31 HydrophobicContact CE1-CG1 3.61Å; I31-V40 HydrophobicContact CB-CG2 3.78Å; I31-V40 HydrophobicContact CG2-CG2 4.37Å; I31-V40 PolarHBondContact N-O 3.03Å; I31-V40 PolarHBondContact O-N 2.8Å; I31-Y42 HydrophobicContact CD1-CD2 4.28Å; I31-Y42 HydrophobicContact CD1-CE2 4.07Å; I31-P46 HydrophobicContact CD1-CG 3.75Å |
| 32 | L | 95.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 105.2 | 171.7 | 173.2 | 60.7 | 0 | 0 | 0 | 108.2 | I10 T34 L39 L61 V106 L107 A110 | I10-L32 HydrophobicContact CB-CB 4.17Å; I10-L32 HydrophobicContact CB-CD2 4.33Å; I10-L32 HydrophobicContact CD1-CD2 4.29Å; I10-L32 PolarHBondContact N-O 3.46Å; I10-L32 WeakPolarHBondContact O-CB 3.22Å; I10-L32 PolarHBondContact O-N 2.84Å; L32-T34 HydrophobicContact CG-CG2 4.41Å; L32-L39 HydrophobicContact CB-CD1 3.89Å; L32-L39 HydrophobicContact CD1-CD1 4.26Å; L32-L61 HydrophobicContact CD1-CD1 3.8Å; L32-L61 HydrophobicContact CD1-CD2 3.38Å; L32-L61 HydrophobicContact CD1-CG 4.21Å; L32-V106 HydrophobicContact CD2-CB 4.33Å; L32-V106 HydrophobicContact CD2-CG2 4.2Å; L32-L107 HydrophobicContact CD1-CD2 4.24Å; L32-L107 HydrophobicContact CD2-CD2 4.1Å; L32-A110 HydrophobicContact CD1-CB 4Å; L32-A110 HydrophobicContact CD2-CB 3.92Å; L32-A110 HydrophobicContact CG-CB 4.36Å |
| 33 | D | 93.2 | Very high | 92.4 | Very high | 19 Ų | 19 | 40.6 Ų | 40.6 | 10% | 0.102 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 101.3 | 175.8 | -162.8 | -33.5 | 0 | 0 | 0 | 109.7 | R9 R35 E36 D37 S38 | R9-D33 WeakPolarHBondContact CD-OD2 3.16Å; R9-D33 HydrophobicContact CG-CB 4.46Å; D33-R35 PolarHBondContact O-N 2.72Å; D33-R35 WeakPolarHBondContact OD1-CA 3.42Å; D33-R35 VanDerWaalsContact OD1-CB 3.31Å; D33-R35 WeakPolarHBondContact OD1-CB 3.35Å; D33-R35 PolarHBondContact OD1-N 3.32Å; D33-E36 HydrophobicContact CB-CB 4.2Å; D33-E36 PolarHBondContact OD1-N 2.82Å; D33-E36 VanDerWaalsContact OD1-N 3.09Å; D33-D37 PolarHBondContact O-N 3Å; D33-S38 PolarHBondContact N-O 2.83Å; D33-S38 PolarHBondContact O-N 2.86Å |
| 34 | T | 89.2 | Confident | 92.7 | Very high | 84 Ų | 84 | 38.2 Ų | 38.2 | 52% | 0.515 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -14.5 | 177.7 | 57.2 | 0 | 0 | 0 | 0 | 112.9 | L32 A110 | L32-T34 HydrophobicContact CG-CG2 4.41Å; T34-A110 HydrophobicContact CG2-CB 3.93Å |
| 35 | R | 88.3 | Confident | 92.8 | Very high | 206 Ų | 206 | 35.6 Ų | 35.6 | 78% | 0.777 | 17% | 0.165 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -40.6 | 178.1 | -58.7 | 175.8 | 61.6 | -160.7 | -4.6 | 110.7 | D33 D37 | D33-R35 PolarHBondContact O-N 2.72Å; D33-R35 WeakPolarHBondContact OD1-CA 3.42Å; D33-R35 VanDerWaalsContact OD1-CB 3.31Å; D33-R35 WeakPolarHBondContact OD1-CB 3.35Å; D33-R35 PolarHBondContact OD1-N 3.32Å; R35-D37 VanDerWaalsContact C-N 3.32Å |
| 36 | E | 89.5 | Confident | 92.6 | Very high | 137 Ų | 137 | 36.7 Ų | 36.7 | 64% | 0.64 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | 7.5 | 179 | -63.4 | -62.9 | 134.7 | 0 | 0 | 113.4 | D33 S38 | D33-E36 HydrophobicContact CB-CB 4.2Å; D33-E36 PolarHBondContact OD1-N 2.82Å; D33-E36 VanDerWaalsContact OD1-N 3.09Å; E36-S38 PolarHBondContact O-N 2.86Å |
| 37 | D | 92 | Very high | 92.2 | Very high | 55 Ų | 55 | 42.4 Ų | 42.4 | 29% | 0.294 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.8 | 40 | -177.2 | -169.1 | 55 | 0 | 0 | 0 | 112.8 | D33 R35 K60 L61 T62 | D33-D37 PolarHBondContact O-N 3Å; R35-D37 VanDerWaalsContact C-N 3.32Å; D37-K60 CarbonylContact O-C 3.48Å; D37-K60 VanDerWaalsContact O-CA 3.28Å; D37-K60 WeakPolarHBondContact O-CA 3.48Å; D37-L61 PolarHBondContact O-N 2.79Å; D37-L61 WeakPolarHBondContact OD1-CB 3.32Å; D37-T62 WeakPolarHBondContact OD2-CB 3.48Å; D37-T62 WeakPolarHBondContact OD2-CG2 3.28Å; D37-T62 PolarHBondContact OD2-N 2.8Å; D37-T62 PolarHBondContact OD2-OG1 2.88Å |
| 38 | S | 94.9 | Very high | 91.6 | Very high | 18 Ų | 18 | 42.9 Ų | 42.9 | 13% | 0.126 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 142.9 | -174.7 | 64.8 | 0 | 0 | 0 | 0 | 114.3 | D33 E36 | D33-S38 PolarHBondContact N-O 2.83Å; D33-S38 PolarHBondContact O-N 2.86Å; E36-S38 PolarHBondContact O-N 2.86Å |
| 39 | L | 95.9 | Very high | 90.8 | Very high | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 113.5 | 164.5 | -178.9 | 67.8 | 0 | 0 | 0 | 107.3 | F30 L32 I59 L61 I64 M83 L107 | F30-L39 HydrophobicContact CB-CD1 4.46Å; F30-L39 HydrophobicContact CD1-CD1 4.03Å; F30-L39 HydrophobicContact CD1-CD2 4.22Å; F30-L39 HydrophobicContact CD1-CG 4.08Å; F30-L39 HydrophobicContact CE1-CD2 4.49Å; L32-L39 HydrophobicContact CB-CD1 3.89Å; L32-L39 HydrophobicContact CD1-CD1 4.26Å; L39-I59 PolarHBondContact N-O 3.44Å; L39-I59 PolarHBondContact O-N 3.33Å; L39-L61 HydrophobicContact CB-CD2 3.88Å; L39-I64 HydrophobicContact CD2-CD1 4.49Å; L39-M83 HydrophobicContact CD2-CE 3.95Å; L39-M83 HydrophobicContact CD2-SD 3.75Å; L39-L107 HydrophobicContact CD1-CD2 4.11Å; L39-L107 HydrophobicContact CD2-CD2 3.9Å |
| 40 | V | 96 | Very high | 89.7 | Confident | 18 Ų | 18 | 45.4 Ų | 45.4 | 11% | 0.109 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 149.8 | 179.4 | -56.5 | 0 | 0 | 0 | 0 | 109.8 | F30 I31 Y42 P55 G57 V58 | F30-V40 CarbonylContact C-O 3.49Å; F30-V40 WeakPolarHBondContact CA-O 3.48Å; I31-V40 HydrophobicContact CB-CG2 3.78Å; I31-V40 HydrophobicContact CG2-CG2 4.37Å; I31-V40 PolarHBondContact N-O 3.03Å; I31-V40 PolarHBondContact O-N 2.8Å; V40-Y42 HydrophobicContact CB-CE2 4.41Å; V40-Y42 HydrophobicContact CG2-CE2 3.79Å; V40-P55 HydrophobicContact CB-CB 4.45Å; V40-G57 WeakPolarHBondContact CA-O 3.41Å; V40-V58 HydrophobicContact CB-CG2 4.33Å; V40-V58 HydrophobicContact CG1-CB 4.2Å; V40-V58 HydrophobicContact CG1-CG1 3.88Å; V40-V58 HydrophobicContact CG1-CG2 3.76Å |
| 41 | W | 95.6 | Very high | 88.7 | Confident | 13 Ų | 13 | 51.7 Ų | 51.7 | 5% | 0.049 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 150.7 | 173.3 | 64.2 | 92.5 | 0 | 0 | 0 | 112.8 | I16 R28 Y29 F30 P55 V56 G57 I59 | I16-W41 HydrophobicContact CD1-CZ2 4.26Å; R28-W41 HydrophobicContact CB-CB 4.1Å; R28-W41 HydrophobicContact CB-CG 4.24Å; Y29-W41 CarbonylContact O-C 3.32Å; Y29-W41 WeakPolarHBondContact O-CA 3.42Å; F30-W41 HydrophobicContact CD1-CB 3.67Å; F30-W41 HydrophobicContact CD1-CD2 4.4Å; F30-W41 HydrophobicContact CD1-CE3 4.13Å; F30-W41 HydrophobicContact CD1-CG 4.27Å; F30-W41 HydrophobicContact CD2-CB 4.08Å; F30-W41 HydrophobicContact CE1-CB 3.7Å; F30-W41 AromaticContact CE1-CD2 3.72Å; F30-W41 HydrophobicContact CE1-CD2 3.72Å; F30-W41 AromaticContact CE1-CE3 3.6Å; F30-W41 HydrophobicContact CE1-CE3 3.6Å; F30-W41 AromaticContact CE1-CG 3.81Å; F30-W41 HydrophobicContact CE1-CG 3.81Å; F30-W41 HydrophobicContact CE1-CZ3 4.44Å; F30-W41 HydrophobicContact CE2-CB 4.12Å; F30-W41 HydrophobicContact CE2-CG 4.45Å; F30-W41 HydrophobicContact CG-CB 3.86Å; F30-W41 HydrophobicContact CZ-CB 3.91Å; F30-W41 HydrophobicContact CZ-CD2 4.09Å; F30-W41 HydrophobicContact CZ-CE3 4.4Å; F30-W41 AromaticContact CZ-CG 3.9Å; F30-W41 HydrophobicContact CZ-CG 3.9Å; W41-P55 CarbonylContact O-C 3.59Å; W41-V56 PolarHBondContact O-N 3.27Å; W41-G57 VanDerWaalsContact CE2-CA 3.48Å; W41-G57 VanDerWaalsContact CZ2-CA 3.46Å; W41-G57 PolarHBondContact N-O 3.43Å; W41-G57 PolarHBondContact O-N 2.99Å; W41-I59 HydrophobicContact CH2-CD1 3.56Å; W41-I59 HydrophobicContact CH2-CG1 3.75Å; W41-I59 HydrophobicContact CZ3-CB 4.33Å; W41-I59 HydrophobicContact CZ3-CD1 3.59Å; W41-I59 HydrophobicContact CZ3-CG1 3.69Å |
| 42 | Y | 93 | Very high | 87.9 | Confident | 44 Ų | 44 | 55.4 Ų | 55.4 | 17% | 0.173 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 162.9 | -174.7 | -67.5 | -95.6 | 0 | 0 | 0 | 110.5 | R28 Y29 I31 V40 D44 P46 L49 S53 P55 | R28-Y42 WeakPolarHBondContact CA-O 3.39Å; Y29-Y42 PolarHBondContact N-O 2.95Å; Y29-Y42 PolarHBondContact O-N 3.36Å; I31-Y42 HydrophobicContact CD1-CD2 4.28Å; I31-Y42 HydrophobicContact CD1-CE2 4.07Å; V40-Y42 HydrophobicContact CB-CE2 4.41Å; V40-Y42 HydrophobicContact CG2-CE2 3.79Å; Y42-D44 WeakPolarHBondContact CB-O 3.27Å; Y42-D44 PolarHBondContact O-N 3.11Å; Y42-P46 HydrophobicContact CD1-CG 4.07Å; Y42-P46 HydrophobicContact CD2-CG 3.5Å; Y42-P46 VanDerWaalsContact CD2-CG 3.5Å; Y42-P46 HydrophobicContact CE1-CG 4.24Å; Y42-P46 HydrophobicContact CE2-CG 3.69Å; Y42-P46 HydrophobicContact CG-CG 3.71Å; Y42-L49 HydrophobicContact CD1-CD1 3.99Å; Y42-L49 HydrophobicContact CG-CD1 4.38Å; Y42-S53 WeakPolarHBondContact CE1-O 3.37Å; Y42-P55 HydrophobicContact CD1-CB 4.34Å; Y42-P55 HydrophobicContact CE1-CB 3.91Å; Y42-P55 HydrophobicContact CE2-CB 4.24Å |
| 43 | M | 88.7 | Confident | 87.3 | Confident | 22 Ų | 22 | 57 Ų | 57 | 11% | 0.108 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -60.9 | -29.8 | 175.9 | -62.3 | -172.6 | 76 | 0 | 0 | 112.6 | V56 Q272 A273 | M43-V56 HydrophobicContact CB-CG2 4.37Å; M43-V56 HydrophobicContact CG-CG2 3.44Å; M43-V56 VanDerWaalsContact CG-CG2 3.44Å; M43-Q272 HydrophobicContact CE-CG 3.98Å; M43-A273 WeakPolarHBondContact CE-O 3.34Å |
| 44 | D | 88.5 | Confident | 87 | Confident | 4 Ų | 4 | 60.9 Ų | 60.9 | 2% | 0.021 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -154.1 | -179.1 | 174.8 | -146.8 | -66.6 | 0 | 0 | 0 | 108.3 | Y29 Y42 P46 N48 L49 R256 | Y29-D44 VanDerWaalsContact CB-C 3.46Å; Y42-D44 WeakPolarHBondContact CB-O 3.27Å; Y42-D44 PolarHBondContact O-N 3.11Å; D44-P46 WeakPolarHBondContact O-CD 3.36Å; D44-N48 PolarHBondContact OD1-ND2 2.88Å; D44-L49 HydrophobicContact CB-CD2 4.14Å; D44-R256 IonicContact OD2-CZ 3.6Å; D44-R256 IonicContact OD2-NH1 3.24Å; D44-R256 PolarHBondContact OD2-NH1 3.03Å; D44-R256 IonicContact OD2-NH2 2.93Å; D44-R256 PolarHBondContact OD2-NH2 2.82Å |
| 45 | N | 88.9 | Confident | 87.2 | Confident | 23 Ų | 23 | 59.2 Ų | 59.2 | 12% | 0.123 | 33% | 0.334 | C | S | . | . | trans | -54.6 | 127.1 | 173.6 | -178.9 | -27.1 | 0 | 0 | 0 | 109.8 | Y29 Q47 N48 L49 | Y29-N45 HydrophobicContact CD1-CB 4.4Å; Y29-N45 HydrophobicContact CD2-CB 3.96Å; Y29-N45 HydrophobicContact CE1-CB 4.38Å; Y29-N45 HydrophobicContact CE2-CB 3.95Å; Y29-N45 HydrophobicContact CG-CB 4.17Å; N45-Q47 PolarHBondContact O-N 3Å; N45-Q47 WeakPolarHBondContact OD1-CB 3.5Å; N45-Q47 PolarHBondContact OD1-N 3.31Å; N45-N48 WeakPolarHBondContact O-CA 3.46Å; N45-N48 VanDerWaalsContact O-CB 3.3Å; N45-N48 WeakPolarHBondContact O-CB 3.31Å; N45-N48 PolarHBondContact O-N 3.3Å; N45-L49 PolarHBondContact O-N 3.44Å | ||
| 46 | P | 87.5 | Confident | 87.4 | Confident | 40 Ų | 40 | 52.1 Ų | 52.1 | 26% | 0.26 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -54 | -26.7 | -179.4 | -31.1 | 37.6 | 0 | 0 | 0 | 115.2 | I31 Y42 D44 N48 L49 | I31-P46 HydrophobicContact CD1-CG 3.75Å; Y42-P46 HydrophobicContact CD1-CG 4.07Å; Y42-P46 HydrophobicContact CD2-CG 3.5Å; Y42-P46 VanDerWaalsContact CD2-CG 3.5Å; Y42-P46 HydrophobicContact CE1-CG 4.24Å; Y42-P46 HydrophobicContact CE2-CG 3.69Å; Y42-P46 HydrophobicContact CG-CG 3.71Å; D44-P46 WeakPolarHBondContact O-CD 3.36Å; P46-N48 PolarHBondContact O-N 3.33Å; P46-L49 PolarHBondContact O-N 3.22Å |
| 47 | Q | 83.7 | Confident | 87.5 | Confident | 134 Ų | 134 | 46.3 Ų | 46.3 | 63% | 0.626 | 29% | 0.29 | S | S | * | . | G | 310 helix | trans | -67.4 | -22.5 | 174.1 | -62.5 | -177.9 | 9.8 | 0 | 0 | 113.1 | N45 | N45-Q47 PolarHBondContact O-N 3Å; N45-Q47 WeakPolarHBondContact OD1-CB 3.5Å; N45-Q47 PolarHBondContact OD1-N 3.31Å |
| 48 | N | 80.4 | Confident | 87.6 | Confident | 72 Ų | 72 | 47.6 Ų | 47.6 | 39% | 0.385 | 30% | 0.3 | S | S | . | . | G | 310 helix | trans | -89.9 | -5.5 | 172.9 | -63.9 | -31.7 | 0 | 0 | 0 | 112 | D44 N45 P46 R212 | D44-N48 PolarHBondContact OD1-ND2 2.88Å; N45-N48 WeakPolarHBondContact O-CA 3.46Å; N45-N48 VanDerWaalsContact O-CB 3.3Å; N45-N48 WeakPolarHBondContact O-CB 3.31Å; N45-N48 PolarHBondContact O-N 3.3Å; P46-N48 PolarHBondContact O-N 3.33Å; N48-R212 WeakPolarHBondContact O-CB 3.45Å; N48-R212 WeakPolarHBondContact O-CD 3.35Å; N48-R212 WeakPolarHBondContact O-CG 3.23Å |
| 49 | L | 79 | Confident | 87.6 | Confident | 20 Ų | 20 | 47.2 Ų | 47.2 | 11% | 0.105 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -99.5 | 161.3 | -178.7 | -59.9 | -179.5 | 0 | 0 | 0 | 110.7 | Y42 D44 N45 P46 | Y42-L49 HydrophobicContact CD1-CD1 3.99Å; Y42-L49 HydrophobicContact CG-CD1 4.38Å; D44-L49 HydrophobicContact CB-CD2 4.14Å; N45-L49 PolarHBondContact O-N 3.44Å; P46-L49 PolarHBondContact O-N 3.22Å |
| 50 | P | 71.6 | Confident | 87.5 | Confident | 41 Ų | 41 | 52.1 Ų | 52.1 | 27% | 0.266 | 32% | 0.318 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 147.9 | 173.3 | -12.7 | 31.4 | 0 | 0 | 0 | 109.4 | G52 S53 Y199 R212 | P50-G52 PolarHBondContact O-N 3.31Å; P50-S53 VanDerWaalsContact CD-OG 3.26Å; P50-S53 WeakPolarHBondContact CD-OG 3.4Å; P50-S53 WeakPolarHBondContact O-CB 3.21Å; P50-S53 PolarHBondContact O-N 2.95Å; P50-Y199 HydrophobicContact CG-CD2 4.31Å; P50-Y199 HydrophobicContact CG-CG 4.41Å; P50-R212 VanDerWaalsContact CG-CZ 3.45Å; P50-R212 VanDerWaalsContact CG-NE 3.27Å |
| 51 | S | 74.9 | Confident | 87.3 | Confident | 132 Ų | 132 | 51.5 Ų | 51.5 | 92% | 0.923 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | 126.1 | 174.4 | -58.9 | 0 | 0 | 0 | 0 | 110.2 | ||
| 52 | G | 79.6 | Confident | 87.1 | Confident | 80 Ų | 80 | 55.6 Ų | 55.6 | 83% | 0.825 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.6 | 8.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | P50 | P50-G52 PolarHBondContact O-N 3.31Š|
| 53 | S | 82.2 | Confident | 87.1 | Confident | 33 Ų | 33 | 60.4 Ų | 60.4 | 23% | 0.231 | 36% | 0.359 | C | S | . | . | P | Polyproline II helix | trans | -52.4 | 127.9 | 170.8 | -108.1 | 0 | 0 | 0 | 0 | 111.3 | Y42 P50 | Y42-S53 WeakPolarHBondContact CE1-O 3.37Å; P50-S53 VanDerWaalsContact CD-OG 3.26Å; P50-S53 WeakPolarHBondContact CD-OG 3.4Å; P50-S53 WeakPolarHBondContact O-CB 3.21Å; P50-S53 PolarHBondContact O-N 2.95Å |
| 54 | P | 88.3 | Confident | 87.3 | Confident | 101 Ų | 101 | 59.8 Ų | 59.8 | 66% | 0.656 | 36% | 0.356 | S | S | * | . | P | Polyproline II helix | trans | -70.6 | 151.4 | 178.3 | 29.4 | -34.4 | 0 | 0 | 0 | 110.9 | ||
| 55 | P | 92.7 | Very high | 87.5 | Confident | 49 Ų | 49 | 63.8 Ų | 63.8 | 32% | 0.318 | 39% | 0.385 | S | S | . | . | P | Polyproline II helix | trans | -64.4 | 145.6 | 167.6 | 28.6 | -33.3 | 0 | 0 | 0 | 110.3 | V40 W41 Y42 G57 V58 | V40-P55 HydrophobicContact CB-CB 4.45Å; W41-P55 CarbonylContact O-C 3.59Å; Y42-P55 HydrophobicContact CD1-CB 4.34Å; Y42-P55 HydrophobicContact CE1-CB 3.91Å; Y42-P55 HydrophobicContact CE2-CB 4.24Å; P55-G57 VanDerWaalsContact C-N 3.3Å; P55-V58 HydrophobicContact CB-CG2 3.93Å; P55-V58 HydrophobicContact CG-CG2 3.55Å |
| 56 | V | 91.8 | Very high | 87.6 | Confident | 58 Ų | 58 | 68.2 Ų | 68.2 | 35% | 0.352 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -69 | -35.5 | 173.2 | 177.3 | 0 | 0 | 0 | 0 | 110.1 | E18 W41 M43 | E18-V56 WeakPolarHBondContact OE1-CG1 3.43Å; W41-V56 PolarHBondContact O-N 3.27Å; M43-V56 HydrophobicContact CB-CG2 4.37Å; M43-V56 HydrophobicContact CG-CG2 3.44Å; M43-V56 VanDerWaalsContact CG-CG2 3.44Å |
| 57 | G | 92.5 | Very high | 88 | Confident | 14 Ų | 14 | 66.6 Ų | 66.6 | 14% | 0.144 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.1 | 161.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | V40 W41 P55 | V40-G57 WeakPolarHBondContact CA-O 3.41Å; W41-G57 VanDerWaalsContact CE2-CA 3.48Å; W41-G57 VanDerWaalsContact CZ2-CA 3.46Å; W41-G57 PolarHBondContact N-O 3.43Å; W41-G57 PolarHBondContact O-N 2.99Å; P55-G57 VanDerWaalsContact C-N 3.3Å |
| 58 | V | 94.8 | Very high | 88.5 | Confident | 82 Ų | 82 | 61.9 Ų | 61.9 | 50% | 0.497 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 130 | -176.1 | 177.9 | 0 | 0 | 0 | 0 | 108.2 | V40 P55 | V40-V58 HydrophobicContact CB-CG2 4.33Å; V40-V58 HydrophobicContact CG1-CB 4.2Å; V40-V58 HydrophobicContact CG1-CG1 3.88Å; V40-V58 HydrophobicContact CG1-CG2 3.76Å; P55-V58 HydrophobicContact CB-CG2 3.93Å; P55-V58 HydrophobicContact CG-CG2 3.55Å |
| 59 | I | 94.7 | Very high | 89.1 | Confident | 10 Ų | 10 | 62.1 Ų | 62.1 | 5% | 0.051 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 127.1 | 173.2 | -66.4 | 168.4 | 0 | 0 | 0 | 107.8 | L39 W41 I64 M83 A85 Y90 | L39-I59 PolarHBondContact N-O 3.44Å; L39-I59 PolarHBondContact O-N 3.33Å; W41-I59 HydrophobicContact CH2-CD1 3.56Å; W41-I59 HydrophobicContact CH2-CG1 3.75Å; W41-I59 HydrophobicContact CZ3-CB 4.33Å; W41-I59 HydrophobicContact CZ3-CD1 3.59Å; W41-I59 HydrophobicContact CZ3-CG1 3.69Å; I59-I64 HydrophobicContact CG2-CD1 4.12Å; I59-I64 HydrophobicContact CG2-CG1 3.72Å; I59-M83 HydrophobicContact CD1-CE 3.52Å; I59-A85 HydrophobicContact CG2-CB 3.89Å; I59-Y90 HydrophobicContact CD1-CD1 4.23Å; I59-Y90 HydrophobicContact CD1-CD2 3.79Å; I59-Y90 HydrophobicContact CD1-CE1 3.9Å; I59-Y90 HydrophobicContact CD1-CE2 3.47Å; I59-Y90 VanDerWaalsContact CD1-CE2 3.47Å; I59-Y90 HydrophobicContact CD1-CG 4.16Å; I59-Y90 VanDerWaalsContact CD1-CZ 3.5Å; I59-Y90 HydrophobicContact CG1-CE2 4.41Å |
| 60 | K | 92.9 | Very high | 89.7 | Confident | 105 Ų | 105 | 61.2 Ų | 61.2 | 46% | 0.457 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 139.3 | 172.2 | -64.9 | -169.2 | 173.5 | -172.2 | 0 | 110.4 | D37 T62 Y63 | D37-K60 CarbonylContact O-C 3.48Å; D37-K60 VanDerWaalsContact O-CA 3.28Å; D37-K60 WeakPolarHBondContact O-CA 3.48Å; K60-T62 WeakPolarHBondContact CB-OG1 3.31Å; K60-T62 PolarHBondContact O-N 2.97Å; K60-Y63 HydrophobicContact CB-CD2 3.87Å; K60-Y63 HydrophobicContact CB-CE2 4.1Å; K60-Y63 HydrophobicContact CB-CG 4.18Å; K60-Y63 HydrophobicContact CD-CE2 4.1Å; K60-Y63 HydrophobicContact CG-CD2 4.38Å; K60-Y63 HydrophobicContact CG-CE2 4.17Å; K60-Y63 WeakPolarHBondContact O-CB 3.45Å; K60-Y63 PolarHBondContact O-N 2.78Å |
| 61 | L | 92.4 | Very high | 90.5 | Very high | 5 Ų | 5 | 61.4 Ų | 61.4 | 3% | 0.026 | 37% | 0.371 | C | S | . | . | G | 310 helix | trans | -65.6 | -32.4 | -178.4 | -49.2 | 173.9 | 0 | 0 | 0 | 111.2 | L32 D37 L39 Y63 I64 A110 T111 | L32-L61 HydrophobicContact CD1-CD1 3.8Å; L32-L61 HydrophobicContact CD1-CD2 3.38Å; L32-L61 HydrophobicContact CD1-CG 4.21Å; D37-L61 PolarHBondContact O-N 2.79Å; D37-L61 WeakPolarHBondContact OD1-CB 3.32Å; L39-L61 HydrophobicContact CB-CD2 3.88Å; L61-Y63 PolarHBondContact O-N 3.17Å; L61-Y63 VanDerWaalsContact O-N 3.13Å; L61-I64 HydrophobicContact CD2-CD1 3.82Å; L61-I64 WeakPolarHBondContact O-CB 3.07Å; L61-I64 PolarHBondContact O-N 2.79Å; L61-A110 HydrophobicContact CD1-CB 4.06Å; L61-T111 HydrophobicContact CB-CG2 4.31Å |
| 62 | T | 90.7 | Very high | 90.9 | Very high | 99 Ų | 99 | 64.8 Ų | 64.8 | 61% | 0.607 | 37% | 0.369 | S | S | * | . | G | 310 helix | trans | -54.6 | -23.9 | 169 | 38.9 | 0 | 0 | 0 | 0 | 114.9 | D37 K60 | D37-T62 WeakPolarHBondContact OD2-CB 3.48Å; D37-T62 WeakPolarHBondContact OD2-CG2 3.28Å; D37-T62 PolarHBondContact OD2-N 2.8Å; D37-T62 PolarHBondContact OD2-OG1 2.88Å; K60-T62 WeakPolarHBondContact CB-OG1 3.31Å; K60-T62 PolarHBondContact O-N 2.97Å |
| 63 | Y | 92.7 | Very high | 91.1 | Very high | 144 Ų | 144 | 66.8 Ų | 66.8 | 57% | 0.565 | 36% | 0.36 | S | S | * | . | G | 310 helix | trans | -87.9 | -17.4 | 176.2 | -61.3 | -21.5 | 0 | 0 | 0 | 113.1 | K60 L61 S65 A85 G86 | K60-Y63 HydrophobicContact CB-CD2 3.87Å; K60-Y63 HydrophobicContact CB-CE2 4.1Å; K60-Y63 HydrophobicContact CB-CG 4.18Å; K60-Y63 HydrophobicContact CD-CE2 4.1Å; K60-Y63 HydrophobicContact CG-CD2 4.38Å; K60-Y63 HydrophobicContact CG-CE2 4.17Å; K60-Y63 WeakPolarHBondContact O-CB 3.45Å; K60-Y63 PolarHBondContact O-N 2.78Å; L61-Y63 PolarHBondContact O-N 3.17Å; L61-Y63 VanDerWaalsContact O-N 3.13Å; Y63-S65 PolarHBondContact O-N 3.14Å; Y63-A85 CarbonylContact O-C 3.56Å; Y63-A85 WeakPolarHBondContact O-CA 3.47Å; Y63-G86 PolarHBondContact O-N 3.29Å |
| 64 | I | 93.5 | Very high | 91.1 | Very high | 9 Ų | 9 | 68.3 Ų | 68.3 | 5% | 0.046 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 110.5 | 179.7 | -55.7 | 168.8 | 0 | 0 | 0 | 108.6 | L39 I59 L61 V67 M83 N84 A85 T111 | L39-I64 HydrophobicContact CD2-CD1 4.49Å; I59-I64 HydrophobicContact CG2-CD1 4.12Å; I59-I64 HydrophobicContact CG2-CG1 3.72Å; L61-I64 HydrophobicContact CD2-CD1 3.82Å; L61-I64 WeakPolarHBondContact O-CB 3.07Å; L61-I64 PolarHBondContact O-N 2.79Å; I64-V67 HydrophobicContact CG2-CG2 3.63Å; I64-M83 HydrophobicContact CD1-CG 4.36Å; I64-M83 HydrophobicContact CD1-SD 3.5Å; I64-M83 VanDerWaalsContact CD1-SD 3.5Å; I64-M83 HydrophobicContact CG1-CG 4.21Å; I64-M83 HydrophobicContact CG1-SD 3.89Å; I64-M83 HydrophobicContact CG2-CG 3.66Å; I64-M83 HydrophobicContact CG2-SD 4.22Å; I64-N84 CarbonylContact C-O 3.6Å; I64-N84 WeakPolarHBondContact CA-O 3.34Å; I64-A85 HydrophobicContact CG1-CB 4.09Å; I64-T111 HydrophobicContact CB-CG2 3.61Å; I64-T111 HydrophobicContact CD1-CG2 3.93Å; I64-T111 HydrophobicContact CG1-CG2 4.36Å; I64-T111 HydrophobicContact CG2-CG2 3.7Å |
| 65 | S | 91.8 | Very high | 90.6 | Very high | 89 Ų | 89 | 68.7 Ų | 68.7 | 62% | 0.622 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.8 | -31.6 | -178.4 | 57.3 | 0 | 0 | 0 | 0 | 113.1 | Y63 N84 | Y63-S65 PolarHBondContact O-N 3.14Å; S65-N84 PolarHBondContact N-O 3.11Å; S65-N84 WeakPolarHBondContact OG-CB 3.42Å; S65-N84 PolarHBondContact OG-O 2.85Å; S65-N84 VanDerWaalsContact OG-O 3.13Å |
| 66 | K | 91.7 | Very high | 90 | Very high | 116 Ų | 116 | 76.6 Ų | 76.6 | 50% | 0.504 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.3 | 138.6 | -176.3 | -176.5 | 174.5 | 177.9 | 177.5 | 0 | 111.3 | N84 | K66-N84 HydrophobicContact CB-CB 4.38Å; K66-N84 PolarHBondContact O-N 2.72Å |
| 67 | V | 95.5 | Very high | 89.7 | Confident | 6 Ų | 6 | 74.1 Ų | 74.1 | 4% | 0.036 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 125.3 | 168.6 | -172 | 0 | 0 | 0 | 0 | 109 | I64 F81 V82 M83 V104 L107 N108 | I64-V67 HydrophobicContact CG2-CG2 3.63Å; V67-F81 HydrophobicContact CG1-CD2 3.79Å; V67-F81 HydrophobicContact CG1-CE2 4.1Å; V67-V82 WeakPolarHBondContact CA-O 3.46Å; V67-M83 HydrophobicContact CG2-CB 4.3Å; V67-M83 HydrophobicContact CG2-CG 4.02Å; V67-V104 HydrophobicContact CG1-CG1 4.45Å; V67-V104 HydrophobicContact CG1-CG2 4.3Å; V67-L107 HydrophobicContact CB-CB 4.44Å; V67-L107 HydrophobicContact CG1-CB 4.27Å; V67-L107 HydrophobicContact CG1-CD1 4.16Å; V67-L107 HydrophobicContact CG2-CB 4.02Å; V67-N108 PolarHBondContact O-ND2 3.5Å; V67-N108 PolarHBondContact O-OD1 2.92Å |
| 68 | S | 94.6 | Very high | 89.5 | Confident | 34 Ų | 34 | 79.7 Ų | 79.7 | 24% | 0.238 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 153.5 | -176.9 | 55.2 | 0 | 0 | 0 | 0 | 112.7 | A70 F81 V82 | S68-A70 PolarHBondContact O-N 2.86Å; S68-F81 CarbonylContact O-C 3.57Å; S68-F81 WeakPolarHBondContact O-CA 3.45Å; S68-F81 WeakPolarHBondContact O-CB 3.28Å; S68-V82 PolarHBondContact N-O 3.33Å; S68-V82 PolarHBondContact O-N 2.93Å; S68-V82 WeakPolarHBondContact OG-CG1 3.25Å |
| 69 | D | 93.6 | Very high | 89.4 | Confident | 78 Ų | 78 | 78.6 Ų | 78.6 | 42% | 0.417 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.9 | 132.5 | 170.4 | -169.1 | -32.7 | 0 | 0 | 0 | 111 | T71 | D69-T71 WeakPolarHBondContact OD1-CB 3.48Å; D69-T71 PolarHBondContact OD1-N 2.77Å; D69-T71 PolarHBondContact OD1-OG1 2.84Å |
| 70 | A | 91.3 | Very high | 89.4 | Confident | 1 Ų | 1 | 78.1 Ų | 78.1 | 1% | 0.008 | 39% | 0.387 | C | S | . | . | trans | -124.2 | 11.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | S68 K72 L73 R74 C80 V82 F91 | S68-A70 PolarHBondContact O-N 2.86Å; A70-K72 PolarHBondContact O-N 3.31Å; A70-K72 VanDerWaalsContact O-N 3.15Å; A70-L73 HydrophobicContact CB-CB 4.41Å; A70-L73 HydrophobicContact CB-CD1 4.18Å; A70-L73 WeakPolarHBondContact O-CA 3.48Å; A70-L73 WeakPolarHBondContact O-CB 3.5Å; A70-L73 PolarHBondContact O-N 2.87Å; A70-R74 PolarHBondContact O-N 2.89Å; A70-C80 CarbonylContact C-O 3.56Å; A70-C80 VanDerWaalsContact C-O 3.32Å; A70-C80 WeakPolarHBondContact CA-O 3.43Å; A70-C80 PolarHBondContact N-O 3.36Å; A70-V82 HydrophobicContact CB-CB 3.85Å; A70-V82 HydrophobicContact CB-CG1 3.96Å; A70-F91 HydrophobicContact CB-CD1 4.37Å; A70-F91 HydrophobicContact CB-CE1 4.4Å | ||
| 71 | T | 87.5 | Confident | 89.5 | Confident | 44 Ų | 44 | 73.1 Ų | 73.1 | 27% | 0.27 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -35.4 | -179 | -51.1 | 0 | 0 | 0 | 0 | 111.3 | D69 R74 C80 | D69-T71 WeakPolarHBondContact OD1-CB 3.48Å; D69-T71 PolarHBondContact OD1-N 2.77Å; D69-T71 PolarHBondContact OD1-OG1 2.84Å; T71-R74 CarbonylContact O-C 3.55Å; T71-C80 PolarHBondContact N-O 3.14Å; T71-C80 PolarHBondContact OG1-O 2.78Å |
| 72 | K | 84.1 | Confident | 89.6 | Confident | 203 Ų | 203 | 73.2 Ų | 73.2 | 88% | 0.883 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -28.7 | 174.7 | -63.7 | -175.5 | -178.1 | -180 | 0 | 113.9 | A70 | A70-K72 PolarHBondContact O-N 3.31Å; A70-K72 VanDerWaalsContact O-N 3.15Å |
| 73 | L | 83.1 | Confident | 89.8 | Confident | 122 Ų | 122 | 68.5 Ų | 68.5 | 64% | 0.639 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -28.1 | -180 | -61.4 | 173.2 | 0 | 0 | 0 | 111.6 | A70 | A70-L73 HydrophobicContact CB-CB 4.41Å; A70-L73 HydrophobicContact CB-CD1 4.18Å; A70-L73 WeakPolarHBondContact O-CA 3.48Å; A70-L73 WeakPolarHBondContact O-CB 3.5Å; A70-L73 PolarHBondContact O-N 2.87Å |
| 74 | R | 83 | Confident | 89.8 | Confident | 65 Ų | 65 | 63.5 Ų | 63.5 | 25% | 0.245 | 32% | 0.32 | C | S | . | . | trans | -128.8 | 75.4 | 179.6 | -68.7 | -67.6 | -154.2 | -144.2 | 5.7 | 110.6 | E17 A70 T71 K76 A77 C80 F91 | E17-R74 IonicContact OE1-NH2 3.53Å; E17-R74 PolarHBondContact OE1-NH2 2.88Å; E17-R74 IonicContact OE2-CZ 3.85Å; E17-R74 IonicContact OE2-NE 3.79Å; E17-R74 IonicContact OE2-NH2 3.41Å; E17-R74 PolarHBondContact OE2-NH2 3.16Å; E17-R74 VanDerWaalsContact OE2-NH2 3.15Å; A70-R74 PolarHBondContact O-N 2.89Å; T71-R74 CarbonylContact O-C 3.55Å; R74-K76 PolarHBondContact O-N 2.73Å; R74-A77 HydrophobicContact CB-CB 4.08Å; R74-A77 PolarHBondContact O-N 2.95Å; R74-A77 VanDerWaalsContact O-O 3.12Å; R74-C80 HydrophobicContact CB-CB 4.48Å; R74-F91 HydrophobicContact CG-CD1 4.06Å; R74-F91 HydrophobicContact CG-CE1 4.17Å | ||
| 75 | P | 78.4 | Confident | 89.8 | Confident | 109 Ų | 109 | 63.6 Ų | 63.6 | 71% | 0.708 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -20.9 | -179 | -21.3 | 32.1 | 0 | 0 | 0 | 114.1 | ||
| 76 | K | 80.3 | Confident | 89.6 | Confident | 215 Ų | 215 | 62.3 Ų | 62.3 | 94% | 0.935 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | -14.9 | 177.3 | -63.6 | -175.2 | 178.6 | -177.5 | 0 | 113.6 | R74 | R74-K76 PolarHBondContact O-N 2.73Š|
| 77 | A | 84.3 | Confident | 89.4 | Confident | 6 Ų | 6 | 66 Ų | 66 | 5% | 0.05 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -112.4 | 96.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 107.8 | F25 R74 C80 | F25-A77 HydrophobicContact CE2-CB 4.13Å; F25-A77 HydrophobicContact CZ-CB 4.05Å; R74-A77 HydrophobicContact CB-CB 4.08Å; R74-A77 PolarHBondContact O-N 2.95Å; R74-A77 VanDerWaalsContact O-O 3.12Å; A77-C80 HydrophobicContact CB-CB 3.81Å; A77-C80 WeakPolarHBondContact O-CB 3.36Å |
| 78 | E | 88.4 | Confident | 89.1 | Confident | 132 Ų | 132 | 71.4 Ų | 71.4 | 62% | 0.617 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | 143.4 | 177.9 | -60.5 | -175.8 | 110.2 | 0 | 0 | 110.3 | C80 Q93 | E78-C80 PolarHBondContact O-N 3.46Å; E78-Q93 VanDerWaalsContact O-CG 3.23Å; E78-Q93 WeakPolarHBondContact O-CG 3.16Å; E78-Q93 PolarHBondContact O-NE2 2.95Å |
| 79 | F | 92.9 | Very high | 89 | Confident | 58 Ų | 58 | 74.9 Ų | 74.9 | 25% | 0.254 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.3 | 40.9 | -179.9 | -39.2 | -62.3 | 0 | 0 | 0 | 113.4 | A94 D96 Q97 L100 | F79-A94 HydrophobicContact CB-CB 4.26Å; F79-A94 PolarHBondContact O-N 3.35Å; F79-D96 VanDerWaalsContact CG-C 3.49Å; F79-Q97 HydrophobicContact CD1-CB 3.91Å; F79-Q97 VanDerWaalsContact CD1-N 3.32Å; F79-Q97 HydrophobicContact CE1-CB 3.77Å; F79-L100 VanDerWaalsContact C-CD1 3.46Å; F79-L100 HydrophobicContact CB-CB 4.31Å; F79-L100 HydrophobicContact CB-CD1 4.22Å |
| 80 | C | 94.1 | Very high | 89 | Confident | 0 Ų | 0 | 72.2 Ų | 72.2 | 0% | 0 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 136.4 | 178.6 | -175.8 | 0 | 0 | 0 | 0 | 112.1 | A70 T71 R74 A77 E78 L92 | A70-C80 CarbonylContact C-O 3.56Å; A70-C80 VanDerWaalsContact C-O 3.32Å; A70-C80 WeakPolarHBondContact CA-O 3.43Å; A70-C80 PolarHBondContact N-O 3.36Å; T71-C80 PolarHBondContact N-O 3.14Å; T71-C80 PolarHBondContact OG1-O 2.78Å; R74-C80 HydrophobicContact CB-CB 4.48Å; A77-C80 HydrophobicContact CB-CB 3.81Å; A77-C80 WeakPolarHBondContact O-CB 3.36Å; E78-C80 PolarHBondContact O-N 3.46Å; C80-L92 CarbonylContact C-O 3.6Å; C80-L92 VanDerWaalsContact CA-O 3.27Å; C80-L92 WeakPolarHBondContact CA-O 3.46Å; C80-L92 PolarHBondContact SG-O 3.28Å; C80-L92 VanDerWaalsContact SG-O 3.34Å |
| 81 | F | 95.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 73.1 Ų | 73.1 | 0% | 0 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 156.9 | 170.5 | 68.8 | -86 | 0 | 0 | 0 | 111 | L14 V67 S68 L92 L100 W103 V104 L107 | L14-F81 HydrophobicContact CD1-CE1 4.29Å; L14-F81 HydrophobicContact CD1-CZ 3.81Å; L14-F81 HydrophobicContact CD2-CE1 4.01Å; L14-F81 HydrophobicContact CD2-CZ 4.37Å; V67-F81 HydrophobicContact CG1-CD2 3.79Å; V67-F81 HydrophobicContact CG1-CE2 4.1Å; S68-F81 CarbonylContact O-C 3.57Å; S68-F81 WeakPolarHBondContact O-CA 3.45Å; S68-F81 WeakPolarHBondContact O-CB 3.28Å; F81-L92 HydrophobicContact CD1-CB 4.18Å; F81-L92 HydrophobicContact CD2-CB 4.33Å; F81-L92 HydrophobicContact CD2-CD1 4.27Å; F81-L92 HydrophobicContact CE1-CB 3.67Å; F81-L92 HydrophobicContact CE2-CB 3.85Å; F81-L92 HydrophobicContact CE2-CD1 3.76Å; F81-L92 HydrophobicContact CE2-CD2 4.48Å; F81-L92 HydrophobicContact CE2-CG 4.24Å; F81-L92 HydrophobicContact CZ-CB 3.49Å; F81-L92 VanDerWaalsContact CZ-CB 3.49Å; F81-L92 HydrophobicContact CZ-CD1 4.21Å; F81-L92 HydrophobicContact CZ-CD2 4.2Å; F81-L92 HydrophobicContact CZ-CG 4.17Å; F81-L92 PolarHBondContact N-O 2.84Å; F81-L92 PolarHBondContact O-N 3.03Å; F81-L92 VanDerWaalsContact O-O 3.14Å; F81-L100 HydrophobicContact CB-CG 4.49Å; F81-L100 HydrophobicContact CD1-CG 4.42Å; F81-W103 HydrophobicContact CE1-CB 4.11Å; F81-W103 HydrophobicContact CZ-CB 3.98Å; F81-V104 HydrophobicContact CB-CG2 3.7Å; F81-V104 HydrophobicContact CD1-CG2 4.33Å; F81-V104 HydrophobicContact CD2-CG2 3.97Å; F81-V104 HydrophobicContact CG-CG2 3.76Å; F81-L107 HydrophobicContact CE2-CD1 3.78Å; F81-L107 HydrophobicContact CZ-CD1 4.24Å |
| 82 | V | 94.6 | Very high | 89.5 | Confident | 8 Ų | 8 | 71 Ų | 71 | 5% | 0.048 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 134.8 | 179.8 | 65.2 | 0 | 0 | 0 | 0 | 110.3 | V67 S68 A70 K89 Y90 F91 | V67-V82 WeakPolarHBondContact CA-O 3.46Å; S68-V82 PolarHBondContact N-O 3.33Å; S68-V82 PolarHBondContact O-N 2.93Å; S68-V82 WeakPolarHBondContact OG-CG1 3.25Å; A70-V82 HydrophobicContact CB-CB 3.85Å; A70-V82 HydrophobicContact CB-CG1 3.96Å; V82-K89 HydrophobicContact CG2-CB 4.08Å; V82-Y90 WeakPolarHBondContact CA-O 3.38Å; V82-F91 HydrophobicContact CB-CD1 4.15Å; V82-F91 HydrophobicContact CB-CE1 4.1Å; V82-F91 HydrophobicContact CG2-CD1 4.21Å; V82-F91 HydrophobicContact CG2-CE1 3.99Å; V82-F91 HydrophobicContact CG2-CZ 4.28Å |
| 83 | M | 94.9 | Very high | 90 | Very high | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 114.1 | 171.5 | 175.9 | 177.5 | 68.8 | 0 | 0 | 108.9 | L39 I59 I64 V67 Y90 L92 | L39-M83 HydrophobicContact CD2-CE 3.95Å; L39-M83 HydrophobicContact CD2-SD 3.75Å; I59-M83 HydrophobicContact CD1-CE 3.52Å; I64-M83 HydrophobicContact CD1-CG 4.36Å; I64-M83 HydrophobicContact CD1-SD 3.5Å; I64-M83 VanDerWaalsContact CD1-SD 3.5Å; I64-M83 HydrophobicContact CG1-CG 4.21Å; I64-M83 HydrophobicContact CG1-SD 3.89Å; I64-M83 HydrophobicContact CG2-CG 3.66Å; I64-M83 HydrophobicContact CG2-SD 4.22Å; V67-M83 HydrophobicContact CG2-CB 4.3Å; V67-M83 HydrophobicContact CG2-CG 4.02Å; M83-Y90 HydrophobicContact CE-CD2 3.98Å; M83-Y90 HydrophobicContact CE-CG 4Å; M83-Y90 PolarHBondContact N-O 3.49Å; M83-Y90 PolarHBondContact O-N 3.05Å; M83-L92 HydrophobicContact CB-CD1 3.83Å; M83-L92 HydrophobicContact CE-CD1 4.32Å |
| 84 | N | 93.4 | Very high | 90.6 | Very high | 38 Ų | 38 | 57.1 Ų | 57.1 | 20% | 0.203 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 114.4 | 175.5 | -62.6 | -25 | 0 | 0 | 0 | 108.7 | I64 S65 K66 K89 | I64-N84 CarbonylContact C-O 3.6Å; I64-N84 WeakPolarHBondContact CA-O 3.34Å; S65-N84 PolarHBondContact N-O 3.11Å; S65-N84 WeakPolarHBondContact OG-CB 3.42Å; S65-N84 PolarHBondContact OG-O 2.85Å; S65-N84 VanDerWaalsContact OG-O 3.13Å; K66-N84 HydrophobicContact CB-CB 4.38Å; K66-N84 PolarHBondContact O-N 2.72Å; N84-K89 WeakPolarHBondContact OD1-CG 3.3Å |
| 85 | A | 92.2 | Very high | 91 | Very high | 11 Ų | 11 | 57.5 Ų | 57.5 | 9% | 0.091 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 115.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | I59 Y63 I64 M87 R88 Y90 | I59-A85 HydrophobicContact CG2-CB 3.89Å; Y63-A85 CarbonylContact O-C 3.56Å; Y63-A85 WeakPolarHBondContact O-CA 3.47Å; I64-A85 HydrophobicContact CG1-CB 4.09Å; A85-M87 PolarHBondContact O-N 3.04Å; A85-R88 PolarHBondContact N-O 3Å; A85-R88 PolarHBondContact O-N 3.26Å; A85-Y90 HydrophobicContact CB-CD2 4.2Å; A85-Y90 HydrophobicContact CB-CE2 3.99Å |
| 86 | G | 87.5 | Confident | 91.8 | Very high | 62 Ų | 62 | 55.3 Ų | 55.3 | 64% | 0.639 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.5 | -120.5 | -171.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y63 | Y63-G86 PolarHBondContact O-N 3.29Š|
| 87 | M | 87.4 | Confident | 92.4 | Very high | 195 Ų | 195 | 49.4 Ų | 49.4 | 96% | 0.961 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.8 | 4.6 | 179.3 | -61.3 | 179.1 | 68.9 | 0 | 0 | 113.8 | A85 | A85-M87 PolarHBondContact O-N 3.04Š|
| 88 | R | 90.4 | Very high | 92.9 | Very high | 118 Ų | 118 | 53.8 Ų | 53.8 | 45% | 0.445 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 148.5 | -174.7 | -67.4 | 179.7 | 68.7 | -171.4 | -0.6 | 111.4 | E18 A85 Y90 | E18-R88 PolarHBondContact O-NH2 3.04Å; A85-R88 PolarHBondContact N-O 3Å; A85-R88 PolarHBondContact O-N 3.26Å; R88-Y90 HydrophobicContact CB-CE2 3.95Å; R88-Y90 PolarHBondContact NH1-OH 3.34Å |
| 89 | K | 91.6 | Very high | 93.3 | Very high | 107 Ų | 107 | 47.5 Ų | 47.5 | 47% | 0.465 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 129.9 | 170.1 | -59.8 | -176.3 | -177.6 | 166.9 | 0 | 108.8 | V82 N84 F91 | V82-K89 HydrophobicContact CG2-CB 4.08Å; N84-K89 WeakPolarHBondContact OD1-CG 3.3Å; K89-F91 HydrophobicContact CB-CE2 4.24Å |
| 90 | Y | 93.6 | Very high | 93.4 | Very high | 22 Ų | 22 | 45 Ų | 45 | 9% | 0.086 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 120.3 | 172.7 | -63.7 | -88.2 | 0 | 0 | 0 | 107.7 | I16 I59 V82 M83 A85 R88 L92 | I16-Y90 HydrophobicContact CD1-CD1 3.99Å; I59-Y90 HydrophobicContact CD1-CD1 4.23Å; I59-Y90 HydrophobicContact CD1-CD2 3.79Å; I59-Y90 HydrophobicContact CD1-CE1 3.9Å; I59-Y90 HydrophobicContact CD1-CE2 3.47Å; I59-Y90 VanDerWaalsContact CD1-CE2 3.47Å; I59-Y90 HydrophobicContact CD1-CG 4.16Å; I59-Y90 VanDerWaalsContact CD1-CZ 3.5Å; I59-Y90 HydrophobicContact CG1-CE2 4.41Å; V82-Y90 WeakPolarHBondContact CA-O 3.38Å; M83-Y90 HydrophobicContact CE-CD2 3.98Å; M83-Y90 HydrophobicContact CE-CG 4Å; M83-Y90 PolarHBondContact N-O 3.49Å; M83-Y90 PolarHBondContact O-N 3.05Å; A85-Y90 HydrophobicContact CB-CD2 4.2Å; A85-Y90 HydrophobicContact CB-CE2 3.99Å; R88-Y90 HydrophobicContact CB-CE2 3.95Å; R88-Y90 PolarHBondContact NH1-OH 3.34Å; Y90-L92 WeakPolarHBondContact O-CD1 3.41Å |
| 91 | F | 94.3 | Very high | 93.4 | Very high | 20 Ų | 20 | 48.3 Ų | 48.3 | 9% | 0.088 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 126 | 171 | -66.5 | -86.5 | 0 | 0 | 0 | 108.1 | E17 F25 A70 R74 V82 K89 | E17-F91 HydrophobicContact CB-CB 4.04Å; E17-F91 PolarHBondContact N-O 2.77Å; F25-F91 HydrophobicContact CE1-CB 4.14Å; F25-F91 HydrophobicContact CZ-CB 4.21Å; A70-F91 HydrophobicContact CB-CD1 4.37Å; A70-F91 HydrophobicContact CB-CE1 4.4Å; R74-F91 HydrophobicContact CG-CD1 4.06Å; R74-F91 HydrophobicContact CG-CE1 4.17Å; V82-F91 HydrophobicContact CB-CD1 4.15Å; V82-F91 HydrophobicContact CB-CE1 4.1Å; V82-F91 HydrophobicContact CG2-CD1 4.21Å; V82-F91 HydrophobicContact CG2-CE1 3.99Å; V82-F91 HydrophobicContact CG2-CZ 4.28Å; K89-F91 HydrophobicContact CB-CE2 4.24Å |
| 92 | L | 95.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 144.9 | 178.9 | -59 | 100.6 | 0 | 0 | 0 | 109 | L14 D15 I16 F30 C80 F81 M83 Y90 | L14-L92 HydrophobicContact CB-CD2 4.47Å; L14-L92 HydrophobicContact CD1-CD2 3.78Å; D15-L92 CarbonylContact O-C 3.55Å; D15-L92 VanDerWaalsContact O-CA 3.3Å; D15-L92 WeakPolarHBondContact O-CA 2.82Å; I16-L92 HydrophobicContact CB-CD2 4.46Å; I16-L92 HydrophobicContact CB-CG 4.49Å; I16-L92 HydrophobicContact CD1-CD2 4.26Å; I16-L92 HydrophobicContact CD1-CG 4.45Å; I16-L92 HydrophobicContact CG1-CG 4.35Å; F30-L92 HydrophobicContact CE1-CD2 3.81Å; F30-L92 HydrophobicContact CE2-CD2 4.19Å; F30-L92 HydrophobicContact CZ-CD2 3.61Å; C80-L92 CarbonylContact C-O 3.6Å; C80-L92 VanDerWaalsContact CA-O 3.27Å; C80-L92 WeakPolarHBondContact CA-O 3.46Å; C80-L92 PolarHBondContact SG-O 3.28Å; C80-L92 VanDerWaalsContact SG-O 3.34Å; F81-L92 HydrophobicContact CD1-CB 4.18Å; F81-L92 HydrophobicContact CD2-CB 4.33Å; F81-L92 HydrophobicContact CD2-CD1 4.27Å; F81-L92 HydrophobicContact CE1-CB 3.67Å; F81-L92 HydrophobicContact CE2-CB 3.85Å; F81-L92 HydrophobicContact CE2-CD1 3.76Å; F81-L92 HydrophobicContact CE2-CD2 4.48Å; F81-L92 HydrophobicContact CE2-CG 4.24Å; F81-L92 HydrophobicContact CZ-CB 3.49Å; F81-L92 VanDerWaalsContact CZ-CB 3.49Å; F81-L92 HydrophobicContact CZ-CD1 4.21Å; F81-L92 HydrophobicContact CZ-CD2 4.2Å; F81-L92 HydrophobicContact CZ-CG 4.17Å; F81-L92 PolarHBondContact N-O 2.84Å; F81-L92 PolarHBondContact O-N 3.03Å; F81-L92 VanDerWaalsContact O-O 3.14Å; M83-L92 HydrophobicContact CB-CD1 3.83Å; M83-L92 HydrophobicContact CE-CD1 4.32Å; Y90-L92 WeakPolarHBondContact O-CD1 3.41Å |
| 93 | Q | 94.6 | Very high | 93.6 | Very high | 32 Ų | 32 | 50.3 Ų | 50.3 | 15% | 0.15 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 127.1 | 178.8 | 176.9 | 167.7 | 0.6 | 0 | 0 | 109 | D15 F25 E78 | D15-Q93 HydrophobicContact CB-CB 4.24Å; D15-Q93 PolarHBondContact N-O 3.32Å; D15-Q93 PolarHBondContact O-N 2.72Å; F25-Q93 HydrophobicContact CD1-CB 4.15Å; F25-Q93 HydrophobicContact CE1-CB 4.24Å; E78-Q93 VanDerWaalsContact O-CG 3.23Å; E78-Q93 WeakPolarHBondContact O-CG 3.16Å; E78-Q93 PolarHBondContact O-NE2 2.95Å |
| 94 | A | 95.1 | Very high | 93.6 | Very high | 2 Ų | 2 | 51.4 Ų | 51.4 | 2% | 0.017 | 27% | 0.265 | C | S | . | . | trans | -90.5 | 164.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | L14 F79 D99 L100 | L14-A94 HydrophobicContact CD2-CB 4.08Å; F79-A94 HydrophobicContact CB-CB 4.26Å; F79-A94 PolarHBondContact O-N 3.35Å; A94-D99 HydrophobicContact CB-CB 3.92Å; A94-L100 HydrophobicContact CB-CB 3.9Å | ||
| 95 | N | 92.5 | Very high | 93.7 | Very high | 72 Ų | 72 | 54.5 Ų | 54.5 | 39% | 0.385 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -74.6 | -28.8 | -177.8 | -55.9 | -82.2 | 0 | 0 | 0 | 112.2 | F13 R27 D99 | F13-N95 PolarHBondContact O-ND2 2.95Å; R27-N95 PolarHBondContact NH1-OD1 2.88Å; R27-N95 VanDerWaalsContact NH1-OD1 3.08Å; R27-N95 PolarHBondContact NH2-OD1 2.81Å; N95-D99 WeakPolarHBondContact CB-OD2 2.89Å; N95-D99 PolarHBondContact N-OD2 3.12Å; N95-D99 PolarHBondContact ND2-OD2 3.25Å |
| 96 | D | 94.3 | Very high | 93.8 | Very high | 63 Ų | 63 | 55.4 Ų | 55.4 | 34% | 0.337 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -155.2 | 176.7 | -179.4 | 61.7 | 58 | 0 | 0 | 0 | 111.3 | F79 Q98 D99 L100 | F79-D96 VanDerWaalsContact CG-C 3.49Å; D96-Q98 VanDerWaalsContact C-N 3.33Å; D96-Q98 PolarHBondContact O-N 2.77Å; D96-Q98 WeakPolarHBondContact OD1-CA 3.26Å; D96-Q98 WeakPolarHBondContact OD1-CB 3.38Å; D96-Q98 PolarHBondContact OD1-N 3.4Å; D96-D99 PolarHBondContact O-N 2.97Å; D96-D99 WeakPolarHBondContact OD1-CB 3.29Å; D96-D99 PolarHBondContact OD1-N 3.34Å; D96-L100 PolarHBondContact O-N 3.44Å |
| 97 | Q | 94 | Very high | 94.1 | Very high | 91 Ų | 91 | 52.5 Ų | 52.5 | 43% | 0.425 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -63.2 | -36.9 | -178.3 | -174.4 | 60.1 | 54.5 | 0 | 0 | 113 | F79 L100 V101 | F79-Q97 HydrophobicContact CD1-CB 3.91Å; F79-Q97 VanDerWaalsContact CD1-N 3.32Å; F79-Q97 HydrophobicContact CE1-CB 3.77Å; Q97-L100 PolarHBondContact O-N 3.28Å; Q97-V101 WeakPolarHBondContact O-CG2 2.98Å; Q97-V101 PolarHBondContact O-N 3.29Å; Q97-V101 VanDerWaalsContact O-N 3.13Å |
| 98 | Q | 95.4 | Very high | 94.4 | Very high | 99 Ų | 99 | 45.2 Ų | 45.2 | 46% | 0.463 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -69.5 | -44 | -179.9 | -178.6 | 65.6 | 29.3 | 0 | 0 | 110 | M1 D96 L100 V101 E102 | M1-Q98 HydrophobicContact CE-CG 3.58Å; M1-Q98 HydrophobicContact CG-CG 4.45Å; M1-Q98 HydrophobicContact SD-CG 4.07Å; D96-Q98 VanDerWaalsContact C-N 3.33Å; D96-Q98 PolarHBondContact O-N 2.77Å; D96-Q98 WeakPolarHBondContact OD1-CA 3.26Å; D96-Q98 WeakPolarHBondContact OD1-CB 3.38Å; D96-Q98 PolarHBondContact OD1-N 3.4Å; Q98-L100 VanDerWaalsContact C-N 3.32Å; Q98-L100 PolarHBondContact O-N 2.93Å; Q98-V101 PolarHBondContact O-N 3.44Å; Q98-E102 PolarHBondContact NE2-OE1 2.9Å; Q98-E102 WeakPolarHBondContact O-CG 3.43Å; Q98-E102 PolarHBondContact O-N 3.43Å |
| 99 | D | 95.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -57.5 | -43.1 | 175 | -166.8 | 31.5 | 0 | 0 | 0 | 111.4 | M1 P2 A94 N95 D96 W103 | M1-D99 WeakPolarHBondContact CA-OD1 3.37Å; M1-D99 HydrophobicContact CG-CB 4.23Å; M1-D99 PolarHBondContact N-OD1 3.41Å; M1-D99 PolarHBondContact N-OD2 3.1Å; P2-D99 WeakPolarHBondContact CD-OD1 3.5Å; A94-D99 HydrophobicContact CB-CB 3.92Å; N95-D99 WeakPolarHBondContact CB-OD2 2.89Å; N95-D99 PolarHBondContact N-OD2 3.12Å; N95-D99 PolarHBondContact ND2-OD2 3.25Å; D96-D99 PolarHBondContact O-N 2.97Å; D96-D99 WeakPolarHBondContact OD1-CB 3.29Å; D96-D99 PolarHBondContact OD1-N 3.34Å; D99-W103 WeakPolarHBondContact O-CB 3.43Å; D99-W103 VanDerWaalsContact O-CD1 3.23Å; D99-W103 PolarHBondContact O-N 3.01Å; D99-W103 PolarHBondContact OD1-NE1 3.16Å |
| 100 | L | 95.1 | Very high | 94.4 | Very high | 5 Ų | 5 | 43.5 Ų | 43.5 | 3% | 0.026 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -58.5 | -52.3 | 173 | 175.1 | 158 | 0 | 0 | 0 | 111.3 | F79 F81 A94 D96 Q97 Q98 E102 W103 V104 | F79-L100 VanDerWaalsContact C-CD1 3.46Å; F79-L100 HydrophobicContact CB-CB 4.31Å; F79-L100 HydrophobicContact CB-CD1 4.22Å; F81-L100 HydrophobicContact CB-CG 4.49Å; F81-L100 HydrophobicContact CD1-CG 4.42Å; A94-L100 HydrophobicContact CB-CB 3.9Å; D96-L100 PolarHBondContact O-N 3.44Å; Q97-L100 PolarHBondContact O-N 3.28Å; Q98-L100 VanDerWaalsContact C-N 3.32Å; Q98-L100 PolarHBondContact O-N 2.93Å; L100-E102 VanDerWaalsContact C-N 3.3Å; L100-E102 PolarHBondContact O-N 2.9Å; L100-W103 PolarHBondContact O-N 3.22Å; L100-V104 HydrophobicContact CD2-CG2 4.12Å; L100-V104 HydrophobicContact CG-CG2 4.35Å; L100-V104 WeakPolarHBondContact O-CB 3.32Å; L100-V104 VanDerWaalsContact O-CG2 3.25Å; L100-V104 WeakPolarHBondContact O-CG2 3.29Å; L100-V104 PolarHBondContact O-N 2.73Å |
| 101 | V | 95.5 | Very high | 94.2 | Very high | 69 Ų | 69 | 43.6 Ų | 43.6 | 42% | 0.418 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -61.8 | -42.8 | -175.3 | 171.3 | 0 | 0 | 0 | 0 | 110.4 | Q97 Q98 N105 | Q97-V101 WeakPolarHBondContact O-CG2 2.98Å; Q97-V101 PolarHBondContact O-N 3.29Å; Q97-V101 VanDerWaalsContact O-N 3.13Å; Q98-V101 PolarHBondContact O-N 3.44Å; V101-N105 VanDerWaalsContact O-CB 3.24Å; V101-N105 WeakPolarHBondContact O-CB 3.44Å; V101-N105 PolarHBondContact O-N 2.74Å |
| 102 | E | 96.1 | Very high | 93.6 | Very high | 50 Ų | 50 | 50 Ų | 50 | 23% | 0.234 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.2 | -48.3 | 177.9 | -73.7 | -179 | -174.6 | 0 | 0 | 112.2 | M1 P2 Q98 L100 V104 N105 V106 | M1-E102 VanDerWaalsContact CE-CD 3.43Å; M1-E102 WeakPolarHBondContact CE-OE1 3.45Å; M1-E102 VanDerWaalsContact CE-OE2 3.29Å; M1-E102 WeakPolarHBondContact CE-OE2 3.48Å; P2-E102 WeakPolarHBondContact CD-OE2 3.18Å; P2-E102 HydrophobicContact CG-CB 3.64Å; Q98-E102 PolarHBondContact NE2-OE1 2.9Å; Q98-E102 WeakPolarHBondContact O-CG 3.43Å; Q98-E102 PolarHBondContact O-N 3.43Å; L100-E102 VanDerWaalsContact C-N 3.3Å; L100-E102 PolarHBondContact O-N 2.9Å; E102-V104 PolarHBondContact O-N 3.08Å; E102-N105 PolarHBondContact O-N 3.43Å; E102-V106 WeakPolarHBondContact O-CG1 3.19Å; E102-V106 WeakPolarHBondContact O-CG2 2.81Å; E102-V106 PolarHBondContact O-N 2.92Å |
| 103 | W | 96.4 | Very high | 91.9 | Very high | 1 Ų | 1 | 57.1 Ų | 57.1 | 0% | 0.004 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.2 | -45.1 | 177.2 | -88.5 | 110.4 | 0 | 0 | 0 | 112.7 | P2 L14 F30 F81 D99 L100 N105 V106 L107 | P2-W103 HydrophobicContact CB-CD2 4.05Å; P2-W103 HydrophobicContact CB-CG 4.49Å; P2-W103 HydrophobicContact CB-CH2 4.42Å; P2-W103 HydrophobicContact CB-CZ2 3.9Å; P2-W103 HydrophobicContact CG-CD2 4.23Å; P2-W103 HydrophobicContact CG-CG 4.18Å; L14-W103 HydrophobicContact CD1-CD2 3.67Å; L14-W103 HydrophobicContact CD1-CE3 4.02Å; L14-W103 HydrophobicContact CD1-CG 4.03Å; L14-W103 HydrophobicContact CD1-CH2 4.38Å; L14-W103 HydrophobicContact CD1-CZ2 4.04Å; L14-W103 HydrophobicContact CD1-CZ3 4.37Å; L14-W103 VanDerWaalsContact CD2-CD1 3.49Å; L14-W103 HydrophobicContact CD2-CD2 4.32Å; L14-W103 HydrophobicContact CD2-CG 3.97Å; L14-W103 HydrophobicContact CG-CD2 4.18Å; L14-W103 HydrophobicContact CG-CG 4.35Å; L14-W103 HydrophobicContact CG-CZ2 4.13Å; F30-W103 HydrophobicContact CB-CH2 3.65Å; F30-W103 HydrophobicContact CB-CZ2 4.24Å; F30-W103 HydrophobicContact CB-CZ3 4.33Å; F81-W103 HydrophobicContact CE1-CB 4.11Å; F81-W103 HydrophobicContact CZ-CB 3.98Å; D99-W103 WeakPolarHBondContact O-CB 3.43Å; D99-W103 VanDerWaalsContact O-CD1 3.23Å; D99-W103 PolarHBondContact O-N 3.01Å; D99-W103 PolarHBondContact OD1-NE1 3.16Å; L100-W103 PolarHBondContact O-N 3.22Å; W103-N105 VanDerWaalsContact C-N 3.3Å; W103-N105 PolarHBondContact O-N 3.22Å; W103-V106 HydrophobicContact CE3-CG2 4.02Å; W103-V106 WeakPolarHBondContact O-CG2 3.35Å; W103-L107 HydrophobicContact CE3-CD1 4.24Å; W103-L107 HydrophobicContact CE3-CG 4.27Å; W103-L107 VanDerWaalsContact O-CB 3.3Å; W103-L107 WeakPolarHBondContact O-CB 3.27Å; W103-L107 WeakPolarHBondContact O-CD1 3.32Å; W103-L107 VanDerWaalsContact O-CG 3.26Å; W103-L107 WeakPolarHBondContact O-CG 3.36Å; W103-L107 PolarHBondContact O-N 2.87Å |
| 104 | V | 95.4 | Very high | 89.9 | Confident | 22 Ų | 22 | 61.7 Ų | 61.7 | 13% | 0.133 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.7 | -39.4 | 176.9 | 171.8 | 0 | 0 | 0 | 0 | 110.9 | V67 F81 L100 E102 N108 | V67-V104 HydrophobicContact CG1-CG1 4.45Å; V67-V104 HydrophobicContact CG1-CG2 4.3Å; F81-V104 HydrophobicContact CB-CG2 3.7Å; F81-V104 HydrophobicContact CD1-CG2 4.33Å; F81-V104 HydrophobicContact CD2-CG2 3.97Å; F81-V104 HydrophobicContact CG-CG2 3.76Å; L100-V104 HydrophobicContact CD2-CG2 4.12Å; L100-V104 HydrophobicContact CG-CG2 4.35Å; L100-V104 WeakPolarHBondContact O-CB 3.32Å; L100-V104 VanDerWaalsContact O-CG2 3.25Å; L100-V104 WeakPolarHBondContact O-CG2 3.29Å; L100-V104 PolarHBondContact O-N 2.73Å; E102-V104 PolarHBondContact O-N 3.08Å; V104-N108 WeakPolarHBondContact CG1-ND2 3.32Å; V104-N108 VanDerWaalsContact O-CB 3.27Å; V104-N108 WeakPolarHBondContact O-CB 3.32Å; V104-N108 PolarHBondContact O-N 3.02Å; V104-N108 PolarHBondContact O-ND2 3.32Å |
| 105 | N | 94.9 | Very high | 87.4 | Confident | 103 Ų | 103 | 67 Ų | 67 | 55% | 0.551 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -66.8 | -53 | 178.3 | -174.3 | -5.1 | 0 | 0 | 0 | 111.7 | V101 E102 W103 L107 N108 K109 | V101-N105 VanDerWaalsContact O-CB 3.24Å; V101-N105 WeakPolarHBondContact O-CB 3.44Å; V101-N105 PolarHBondContact O-N 2.74Å; E102-N105 PolarHBondContact O-N 3.43Å; W103-N105 VanDerWaalsContact C-N 3.3Å; W103-N105 PolarHBondContact O-N 3.22Å; N105-L107 VanDerWaalsContact C-N 3.33Å; N105-L107 PolarHBondContact O-N 2.85Å; N105-N108 PolarHBondContact O-N 2.86Å; N105-K109 WeakPolarHBondContact O-CB 3.31Å; N105-K109 PolarHBondContact O-N 2.86Å |
| 106 | V | 94.9 | Very high | 85.1 | Confident | 30 Ų | 30 | 68.5 Ų | 68.5 | 18% | 0.182 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -63.1 | -39.6 | -177.4 | -61 | 0 | 0 | 0 | 0 | 111.9 | I10 L32 E102 W103 K109 A110 | I10-V106 HydrophobicContact CD1-CB 3.76Å; I10-V106 HydrophobicContact CD1-CG1 3.8Å; I10-V106 HydrophobicContact CD1-CG2 4.5Å; I10-V106 HydrophobicContact CG2-CB 4.43Å; I10-V106 HydrophobicContact CG2-CG1 4.46Å; I10-V106 HydrophobicContact CG2-CG2 4.09Å; L32-V106 HydrophobicContact CD2-CB 4.33Å; L32-V106 HydrophobicContact CD2-CG2 4.2Å; E102-V106 WeakPolarHBondContact O-CG1 3.19Å; E102-V106 WeakPolarHBondContact O-CG2 2.81Å; E102-V106 PolarHBondContact O-N 2.92Å; W103-V106 HydrophobicContact CE3-CG2 4.02Å; W103-V106 WeakPolarHBondContact O-CG2 3.35Å; V106-K109 PolarHBondContact O-N 3.47Å; V106-A110 VanDerWaalsContact O-CB 3.3Å; V106-A110 WeakPolarHBondContact O-CB 3.44Å; V106-A110 PolarHBondContact O-N 3.43Å |
| 107 | L | 94.7 | Very high | 82.3 | Confident | 1 Ų | 1 | 74.7 Ų | 74.7 | 1% | 0.005 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -66.6 | -47.1 | 176.1 | -71.6 | 168.9 | 0 | 0 | 0 | 111.2 | L32 L39 V67 F81 W103 N105 K109 A110 T111 | L32-L107 HydrophobicContact CD1-CD2 4.24Å; L32-L107 HydrophobicContact CD2-CD2 4.1Å; L39-L107 HydrophobicContact CD1-CD2 4.11Å; L39-L107 HydrophobicContact CD2-CD2 3.9Å; V67-L107 HydrophobicContact CB-CB 4.44Å; V67-L107 HydrophobicContact CG1-CB 4.27Å; V67-L107 HydrophobicContact CG1-CD1 4.16Å; V67-L107 HydrophobicContact CG2-CB 4.02Å; F81-L107 HydrophobicContact CE2-CD1 3.78Å; F81-L107 HydrophobicContact CZ-CD1 4.24Å; W103-L107 HydrophobicContact CE3-CD1 4.24Å; W103-L107 HydrophobicContact CE3-CG 4.27Å; W103-L107 VanDerWaalsContact O-CB 3.3Å; W103-L107 WeakPolarHBondContact O-CB 3.27Å; W103-L107 WeakPolarHBondContact O-CD1 3.32Å; W103-L107 VanDerWaalsContact O-CG 3.26Å; W103-L107 WeakPolarHBondContact O-CG 3.36Å; W103-L107 PolarHBondContact O-N 2.87Å; N105-L107 VanDerWaalsContact C-N 3.33Å; N105-L107 PolarHBondContact O-N 2.85Å; L107-K109 VanDerWaalsContact C-N 3.28Å; L107-K109 PolarHBondContact O-N 3.44Å; L107-A110 PolarHBondContact O-N 2.78Å; L107-A110 VanDerWaalsContact O-N 3.17Å; L107-T111 VanDerWaalsContact O-CG2 3.23Å; L107-T111 WeakPolarHBondContact O-CG2 3.35Å; L107-T111 PolarHBondContact O-N 3Å; L107-T111 PolarHBondContact O-OG1 3.24Å; L107-T111 VanDerWaalsContact O-OG1 3.06Å |
| 108 | N | 93.8 | Very high | 79.7 | Confident | 42 Ų | 42 | 78 Ų | 78 | 23% | 0.225 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -62.7 | -34.8 | 176.5 | -82.2 | -50.7 | 0 | 0 | 0 | 112.7 | V67 V104 N105 T111 K112 | V67-N108 PolarHBondContact O-ND2 3.5Å; V67-N108 PolarHBondContact O-OD1 2.92Å; V104-N108 WeakPolarHBondContact CG1-ND2 3.32Å; V104-N108 VanDerWaalsContact O-CB 3.27Å; V104-N108 WeakPolarHBondContact O-CB 3.32Å; V104-N108 PolarHBondContact O-N 3.02Å; V104-N108 PolarHBondContact O-ND2 3.32Å; N105-N108 PolarHBondContact O-N 2.86Å; N108-T111 WeakPolarHBondContact CA-OG1 3.27Å; N108-T111 PolarHBondContact O-OG1 2.89Å; N108-K112 WeakPolarHBondContact O-CB 3.2Å; N108-K112 WeakPolarHBondContact O-CG 3.13Å; N108-K112 PolarHBondContact O-N 3.08Å |
| 109 | K | 91.8 | Very high | 77.1 | Confident | 162 Ų | 162 | 78.6 Ų | 78.6 | 70% | 0.704 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -66.9 | -40.5 | 174.9 | -174.7 | 179.3 | 178.1 | -176.7 | 0 | 111.3 | N105 V106 L107 | N105-K109 WeakPolarHBondContact O-CB 3.31Å; N105-K109 PolarHBondContact O-N 2.86Å; V106-K109 PolarHBondContact O-N 3.47Å; L107-K109 VanDerWaalsContact C-N 3.28Å; L107-K109 PolarHBondContact O-N 3.44Å |
| 110 | A | 89.8 | Confident | 74.1 | Confident | 27 Ų | 27 | 86.1 Ų | 86.1 | 22% | 0.223 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -73.7 | -28.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | L32 T34 L61 V106 L107 | L32-A110 HydrophobicContact CD1-CB 4Å; L32-A110 HydrophobicContact CD2-CB 3.92Å; L32-A110 HydrophobicContact CG-CB 4.36Å; T34-A110 HydrophobicContact CG2-CB 3.93Å; L61-A110 HydrophobicContact CD1-CB 4.06Å; V106-A110 VanDerWaalsContact O-CB 3.3Å; V106-A110 WeakPolarHBondContact O-CB 3.44Å; V106-A110 PolarHBondContact O-N 3.43Å; L107-A110 PolarHBondContact O-N 2.78Å; L107-A110 VanDerWaalsContact O-N 3.17Å |
| 111 | T | 88.8 | Confident | 72 | Confident | 24 Ų | 24 | 90.9 Ų | 90.9 | 15% | 0.147 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -91.6 | -19.8 | -179.6 | 61 | 0 | 0 | 0 | 0 | 113.8 | L61 I64 L107 N108 I113 | L61-T111 HydrophobicContact CB-CG2 4.31Å; I64-T111 HydrophobicContact CB-CG2 3.61Å; I64-T111 HydrophobicContact CD1-CG2 3.93Å; I64-T111 HydrophobicContact CG1-CG2 4.36Å; I64-T111 HydrophobicContact CG2-CG2 3.7Å; L107-T111 VanDerWaalsContact O-CG2 3.23Å; L107-T111 WeakPolarHBondContact O-CG2 3.35Å; L107-T111 PolarHBondContact O-N 3Å; L107-T111 PolarHBondContact O-OG1 3.24Å; L107-T111 VanDerWaalsContact O-OG1 3.06Å; N108-T111 WeakPolarHBondContact CA-OG1 3.27Å; N108-T111 PolarHBondContact O-OG1 2.89Å; T111-I113 PolarHBondContact O-N 2.76Å |
| 112 | K | 81.9 | Confident | 69.2 | Low | 155 Ų | 155 | 95.5 Ų | 95.5 | 67% | 0.674 | 51% | 0.51 | S | S | * | . | S | Bend | trans | -66.3 | 98.7 | 169.2 | -83.2 | 175.4 | -177.7 | -175.1 | 0 | 108.7 | N108 T114 | N108-K112 WeakPolarHBondContact O-CB 3.2Å; N108-K112 WeakPolarHBondContact O-CG 3.13Å; N108-K112 PolarHBondContact O-N 3.08Å; K112-T114 PolarHBondContact O-N 3.28Å |
| 113 | I | 58.8 | Low | 66.1 | Low | 150 Ų | 150 | 98.3 Ų | 98.3 | 77% | 0.769 | 53% | 0.534 | S | S | * | . | trans | -36.1 | 96.1 | 173.5 | -55.1 | 174.3 | 0 | 0 | 0 | 110.2 | T111 V115 | T111-I113 PolarHBondContact O-N 2.76Å; I113-V115 VanDerWaalsContact C-N 3.33Å; I113-V115 HydrophobicContact CG2-CG2 4.34Å; I113-V115 PolarHBondContact O-N 2.9Å; I113-V115 VanDerWaalsContact O-N 3.09Å | ||
| 114 | T | 53.3 | Low | 63.1 | Low | 127 Ų | 127 | 107.7 Ų | 107.7 | 78% | 0.779 | 58% | 0.578 | S | S | * | * | trans | -71.7 | 101.1 | 157.6 | 45.6 | 0 | 0 | 0 | 0 | 105.3 | K112 P116 | K112-T114 PolarHBondContact O-N 3.28Å; T114-P116 VanDerWaalsContact O-CD 3.31Å; T114-P116 WeakPolarHBondContact O-CD 3.47Å; T114-P116 VanDerWaalsContact O-N 3.15Å | ||
| 115 | V | 42.2 | Very low | 60 | Low | 113 Ų | 113 | 114.2 Ų | 114.2 | 69% | 0.685 | 61% | 0.608 | S | S | * | * | trans | -50 | 119.7 | 167.2 | 178.4 | 0 | 0 | 0 | 0 | 106.8 | I113 K117 | I113-V115 VanDerWaalsContact C-N 3.33Å; I113-V115 HydrophobicContact CG2-CG2 4.34Å; I113-V115 PolarHBondContact O-N 2.9Å; I113-V115 VanDerWaalsContact O-N 3.09Å; V115-K117 PolarHBondContact O-N 2.98Å | ||
| 116 | P | 44.2 | Very low | 57.1 | Low | 105 Ų | 105 | 115 Ų | 115 | 68% | 0.682 | 61% | 0.612 | S | S | * | * | trans | -58.8 | 110.2 | 169.4 | -18.1 | 30.1 | 0 | 0 | 0 | 106.5 | T114 Q118 | T114-P116 VanDerWaalsContact O-CD 3.31Å; T114-P116 WeakPolarHBondContact O-CD 3.47Å; T114-P116 VanDerWaalsContact O-N 3.15Å; P116-Q118 VanDerWaalsContact C-N 3.28Å; P116-Q118 PolarHBondContact O-N 3.47Å | ||
| 117 | K | 35.3 | Very low | 54.2 | Low | 193 Ų | 193 | 120.2 Ų | 120.2 | 84% | 0.839 | 64% | 0.639 | S | S | * | * | trans | -67.3 | 96.1 | 173 | -165 | 173.5 | -177.1 | -179.5 | 0 | 106 | V115 | V115-K117 PolarHBondContact O-N 2.98Š| ||
| 118 | Q | 39.8 | Very low | 51.3 | Low | 160 Ų | 160 | 124.7 Ų | 124.7 | 75% | 0.748 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 127.4 | 165.4 | -72.4 | -77.6 | -24.7 | 0 | 0 | 106.8 | P116 D120 | P116-Q118 VanDerWaalsContact C-N 3.28Å; P116-Q118 PolarHBondContact O-N 3.47Å; Q118-D120 PolarHBondContact O-N 3.04Å |
| 119 | P | 40.8 | Very low | 48.3 | Very low | 111 Ų | 111 | 128.9 Ų | 128.9 | 72% | 0.721 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -66 | 127.2 | 172 | 25.9 | -29.5 | 0 | 0 | 0 | 108.7 | ||
| 120 | D | 32.8 | Very low | 45.5 | Very low | 159 Ų | 159 | 132.5 Ų | 132.5 | 85% | 0.85 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 128.8 | 172.1 | -87.3 | -50.9 | 0 | 0 | 0 | 110.1 | Q118 | Q118-D120 PolarHBondContact O-N 3.04Š|
| 121 | P | 51.2 | Low | 42.7 | Very low | 105 Ų | 105 | 140.1 Ų | 140.1 | 68% | 0.682 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -84 | 152.5 | 167.9 | 32.3 | -27.7 | 0 | 0 | 0 | 110.1 | ||
| 122 | L | 35.9 | Very low | 40 | Very low | 166 Ų | 166 | 143.9 Ų | 143.9 | 87% | 0.869 | 77% | 0.773 | S | S | * | * | trans | 107.9 | 119.3 | 175 | -57.9 | 168.7 | 0 | 0 | 0 | 112.5 | ||||
| 123 | C | 31.9 | Very low | 37.5 | Very low | 109 Ų | 109 | 145.7 Ų | 145.7 | 74% | 0.736 | 78% | 0.784 | S | S | * | * | cis | -164 | 139.7 | 13 | -92.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 124 | Q | 32.3 | Very low | 36.2 | Very low | 198 Ų | 198 | 144.2 Ų | 144.2 | 93% | 0.925 | 79% | 0.787 | S | S | * | * | -166.3 | 104 | 128.5 | -109.6 | 170.2 | 19.6 | 0 | 0 | 111.6 | |||||
| 125 | M | 30.5 | Very low | 35.5 | Very low | 158 Ų | 158 | 143.7 Ų | 143.7 | 78% | 0.778 | 79% | 0.786 | S | S | * | * | trans | -53.2 | 153.6 | 149.9 | -90.8 | 165.9 | 69 | 0 | 0 | 110 | ||||
| 126 | D | 35.6 | Very low | 35 | Very low | 119 Ų | 119 | 142.1 Ų | 142.1 | 64% | 0.636 | 79% | 0.792 | S | S | * | * | cis | -157.6 | 164.5 | 27.3 | -89.4 | -48.1 | 0 | 0 | 0 | 106.6 | ||||
| 127 | N | 33.2 | Very low | 34.4 | Very low | 140 Ų | 140 | 141.3 Ų | 141.3 | 75% | 0.749 | 80% | 0.795 | S | S | * | * | cis | -168.5 | 141.7 | 17.8 | -131 | -31.4 | 0 | 0 | 0 | 108.4 | ||||
| 128 | A | 33.8 | Very low | 34.4 | Very low | 96 Ų | 96 | 141.9 Ų | 141.9 | 79% | 0.793 | 80% | 0.797 | S | S | * | * | trans | 171.4 | 76.6 | 135.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 129 | N | 30.1 | Very low | 34.6 | Very low | 130 Ų | 130 | 144.2 Ų | 144.2 | 70% | 0.695 | 81% | 0.805 | S | S | * | * | trans | 30.1 | 112.1 | 131.7 | -162.7 | 18.9 | 0 | 0 | 0 | 118.5 | ||||
| 130 | R | 33.1 | Very low | 34.4 | Very low | 238 Ų | 238 | 148.1 Ų | 148.1 | 90% | 0.898 | 81% | 0.813 | S | S | * | * | -169.8 | 137.3 | 110.9 | -100 | 174.5 | -179.3 | -166.3 | 0 | 112.7 | |||||
| 131 | Q | 31.7 | Very low | 35.3 | Very low | 186 Ų | 186 | 144.3 Ų | 144.3 | 87% | 0.869 | 80% | 0.795 | S | S | * | * | trans | -57.2 | 147.8 | -174.5 | -66.4 | 165.9 | -39.2 | 0 | 0 | 115.2 | ||||
| 132 | A | 32.1 | Very low | 35.1 | Very low | 104 Ų | 104 | 143 Ų | 143 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | -177.5 | 137.3 | 113.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 133 | E | 29 | Very low | 36.1 | Very low | 192 Ų | 192 | 142 Ų | 142 | 90% | 0.897 | 77% | 0.774 | S | S | * | * | trans | -77 | 162.2 | 176.5 | -71.9 | 178.2 | 100.3 | 0 | 0 | 113.9 | ||||
| 134 | S | 31 | Very low | 37.4 | Very low | 119 Ų | 119 | 144.7 Ų | 144.7 | 83% | 0.832 | 77% | 0.769 | S | S | * | * | trans | 118.4 | 148.7 | 136 | -134.2 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 135 | P | 40.3 | Very low | 38.2 | Very low | 117 Ų | 117 | 139 Ų | 139 | 76% | 0.76 | 75% | 0.748 | S | S | * | * | trans | -105.9 | 165 | -155.1 | 40.9 | -33.4 | 0 | 0 | 0 | 114.7 | ||||
| 136 | G | 29.6 | Very low | 39.6 | Very low | 79 Ų | 79 | 136.4 Ų | 136.4 | 81% | 0.814 | 73% | 0.734 | S | S | * | * | trans | 89 | 134.5 | 141.9 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 137 | A | 33.2 | Very low | 40.8 | Very low | 89 Ų | 89 | 136.8 Ų | 136.8 | 74% | 0.736 | 74% | 0.735 | S | S | * | * | trans | 84 | 114.9 | 152.8 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 138 | K | 35.3 | Very low | 41.9 | Very low | 205 Ų | 205 | 135.6 Ų | 135.6 | 89% | 0.891 | 73% | 0.732 | S | S | * | * | trans | 73.5 | 136.2 | 137.3 | -61 | 175.8 | -175 | 179.2 | 0 | 118.7 | Q140 | K138-Q140 PolarHBondContact O-N 3.46Š| ||
| 139 | K | 42.3 | Very low | 42.9 | Very low | 209 Ų | 209 | 135.2 Ų | 135.2 | 91% | 0.909 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 122.4 | -179.5 | -63.2 | 177.9 | 178 | -177.6 | 0 | 111.5 | ||
| 140 | Q | 38.6 | Very low | 44 | Very low | 193 Ų | 193 | 132.1 Ų | 132.1 | 90% | 0.902 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -88 | 118.8 | 172.5 | -170 | 174.8 | 5.3 | 0 | 0 | 109.2 | K138 | K138-Q140 PolarHBondContact O-N 3.46Š|
| 141 | V | 51.1 | Low | 44.5 | Very low | 78 Ų | 78 | 125.5 Ų | 125.5 | 47% | 0.473 | 72% | 0.722 | S | S | . | * | P | Polyproline II helix | trans | -96.7 | 129.7 | 168.4 | 176.9 | 0 | 0 | 0 | 0 | 107.3 | Y143 P156 | V141-Y143 HydrophobicContact CB-CE2 4.19Å; V141-Y143 HydrophobicContact CG1-CE1 4.33Å; V141-Y143 HydrophobicContact CG1-CE2 4.4Å; V141-Y143 VanDerWaalsContact O-CD2 3.28Å; V141-Y143 WeakPolarHBondContact O-CD2 3.5Å; V141-Y143 VanDerWaalsContact O-CE2 3.28Å; V141-Y143 WeakPolarHBondContact O-CE2 3.31Å; V141-P156 HydrophobicContact CG1-CB 4.09Å |
| 142 | S | 46.5 | Very low | 45.1 | Very low | 78 Ų | 78 | 120.6 Ų | 120.6 | 55% | 0.545 | 71% | 0.707 | S | S | . | * | P | Polyproline II helix | trans | -78.4 | 127.1 | 176.5 | 55.2 | 0 | 0 | 0 | 0 | 110.6 | ||
| 143 | Y | 57.4 | Low | 46.2 | Very low | 144 Ų | 144 | 121 Ų | 121 | 57% | 0.565 | 69% | 0.693 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -113.7 | 142.3 | 172.1 | -52.1 | -92.3 | 0 | 0 | 0 | 110.2 | V141 I154 P156 | V141-Y143 HydrophobicContact CB-CE2 4.19Å; V141-Y143 HydrophobicContact CG1-CE1 4.33Å; V141-Y143 HydrophobicContact CG1-CE2 4.4Å; V141-Y143 VanDerWaalsContact O-CD2 3.28Å; V141-Y143 WeakPolarHBondContact O-CD2 3.5Å; V141-Y143 VanDerWaalsContact O-CE2 3.28Å; V141-Y143 WeakPolarHBondContact O-CE2 3.31Å; Y143-I154 HydrophobicContact CD1-CG2 3.91Å; Y143-I154 HydrophobicContact CG-CG2 3.74Å; Y143-P156 HydrophobicContact CD1-CB 3.84Å; Y143-P156 HydrophobicContact CD1-CG 4.37Å; Y143-P156 HydrophobicContact CE1-CB 3.97Å; Y143-P156 HydrophobicContact CE1-CG 4.35Å |
| 144 | R | 59 | Low | 47.5 | Very low | 167 Ų | 167 | 116.8 Ų | 116.8 | 63% | 0.63 | 68% | 0.676 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -104.1 | 130 | 172.3 | -171.8 | -179.9 | 179.7 | -172.6 | -3 | 109 | E146 T155 | R144-E146 IonicContact CZ-OE1 2.81Å; R144-E146 IonicContact NE-OE1 2.83Å; R144-E146 IonicContact NH1-OE1 3.42Å; R144-E146 IonicContact NH2-OE1 3.64Å; R144-T155 PolarHBondContact N-O 2.94Å; R144-T155 PolarHBondContact O-N 3.44Å; R144-T155 VanDerWaalsContact O-N 3.07Å |
| 145 | T | 48.3 | Very low | 48.5 | Very low | 77 Ų | 77 | 115.3 Ų | 115.3 | 47% | 0.472 | 66% | 0.662 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -99.3 | 130.2 | 176.5 | -45.7 | 0 | 0 | 0 | 0 | 109.8 | P152 I153 I154 | T145-P152 HydrophobicContact CG2-CB 3.64Å; T145-I153 WeakPolarHBondContact CA-O 3.21Å; T145-I154 HydrophobicContact CG2-CG1 3.92Å |
| 146 | E | 60.8 | Low | 48.6 | Very low | 105 Ų | 105 | 113.3 Ų | 113.3 | 49% | 0.491 | 65% | 0.649 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -121.2 | 145.7 | 169.4 | -63.4 | -170.1 | 174.5 | 0 | 0 | 109.5 | R144 I153 | R144-E146 IonicContact CZ-OE1 2.81Å; R144-E146 IonicContact NE-OE1 2.83Å; R144-E146 IonicContact NH1-OE1 3.42Å; R144-E146 IonicContact NH2-OE1 3.64Å; E146-I153 PolarHBondContact N-O 3.44Å; E146-I153 PolarHBondContact O-N 3.48Å |
| 147 | I | 60.3 | Low | 49.2 | Very low | 126 Ų | 126 | 114.1 Ų | 114.1 | 65% | 0.646 | 64% | 0.638 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -113.1 | 112.8 | 179.8 | -58.9 | 168.8 | 0 | 0 | 0 | 107.7 | P152 | I147-P152 HydrophobicContact CG1-CB 4.27Å |
| 148 | V | 56.8 | Low | 49.5 | Very low | 116 Ų | 116 | 119.5 Ų | 119.5 | 70% | 0.703 | 65% | 0.648 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -121.8 | 118.6 | 175.1 | -176.5 | 0 | 0 | 0 | 0 | 107.6 | G150 | V148-G150 VanDerWaalsContact C-N 3.32Å; V148-G150 PolarHBondContact O-N 3.28Å |
| 149 | G | 53.7 | Low | 49.5 | Very low | 87 Ų | 87 | 119 Ų | 119 | 90% | 0.897 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 70.1 | 18.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 150 | G | 54.9 | Low | 49.1 | Very low | 66 Ų | 66 | 118.6 Ų | 118.6 | 68% | 0.68 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 96 | 6.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | V148 | V148-G150 VanDerWaalsContact C-N 3.32Å; V148-G150 PolarHBondContact O-N 3.28Å |
| 151 | V | 42.8 | Very low | 48.7 | Very low | 98 Ų | 98 | 117.3 Ų | 117.3 | 59% | 0.594 | 64% | 0.641 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -125.6 | 134.1 | 175.6 | -175.8 | 0 | 0 | 0 | 0 | 110.1 | ||
| 152 | P | 43.3 | Very low | 47.7 | Very low | 84 Ų | 84 | 119.6 Ų | 119.6 | 55% | 0.545 | 66% | 0.655 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -80.5 | 130.6 | 180 | 29 | -31.6 | 0 | 0 | 0 | 112.8 | T145 I147 | T145-P152 HydrophobicContact CG2-CB 3.64Å; I147-P152 HydrophobicContact CG1-CB 4.27Å |
| 153 | I | 56.3 | Low | 46.9 | Very low | 113 Ų | 113 | 122.3 Ų | 122.3 | 58% | 0.579 | 66% | 0.663 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -114.7 | 137.3 | 172 | -59.4 | -178.4 | 0 | 0 | 0 | 109.4 | T145 E146 | T145-I153 WeakPolarHBondContact CA-O 3.21Å; E146-I153 PolarHBondContact N-O 3.44Å; E146-I153 PolarHBondContact O-N 3.48Å |
| 154 | I | 56 | Low | 45.4 | Very low | 102 Ų | 102 | 124.7 Ų | 124.7 | 52% | 0.523 | 68% | 0.68 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -119 | 122.9 | -172.3 | -59.5 | -178.7 | 0 | 0 | 0 | 110.3 | Y143 T145 | Y143-I154 HydrophobicContact CD1-CG2 3.91Å; Y143-I154 HydrophobicContact CG-CG2 3.74Å; T145-I154 HydrophobicContact CG2-CG1 3.92Å |
| 155 | T | 51.5 | Low | 44.1 | Very low | 88 Ų | 88 | 122 Ų | 122 | 54% | 0.54 | 69% | 0.685 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -130 | 138 | 179.2 | -46.2 | 0 | 0 | 0 | 0 | 112.3 | R144 | R144-T155 PolarHBondContact N-O 2.94Å; R144-T155 PolarHBondContact O-N 3.44Å; R144-T155 VanDerWaalsContact O-N 3.07Å |
| 156 | P | 42.5 | Very low | 43.3 | Very low | 76 Ų | 76 | 123.8 Ų | 123.8 | 49% | 0.494 | 70% | 0.701 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -83.4 | 146.3 | 179.5 | 30.8 | -32.5 | 0 | 0 | 0 | 113.8 | V141 Y143 | V141-P156 HydrophobicContact CG1-CB 4.09Å; Y143-P156 HydrophobicContact CD1-CB 3.84Å; Y143-P156 HydrophobicContact CD1-CG 4.37Å; Y143-P156 HydrophobicContact CE1-CB 3.97Å; Y143-P156 HydrophobicContact CE1-CG 4.35Å |
| 157 | T | 42.6 | Very low | 41.9 | Very low | 96 Ų | 96 | 128.2 Ų | 128.2 | 59% | 0.589 | 72% | 0.722 | S | S | * | * | trans | -105.2 | 133.2 | -173.9 | 13.6 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 158 | Q | 39.4 | Very low | 40.6 | Very low | 201 Ų | 201 | 126 Ų | 126 | 94% | 0.939 | 73% | 0.73 | S | S | * | * | trans | -120.5 | 144 | 166 | -73.1 | -173.4 | 56.2 | 0 | 0 | 110.3 | ||||
| 159 | K | 35.7 | Very low | 39.4 | Very low | 194 Ų | 194 | 124 Ų | 124 | 84% | 0.843 | 73% | 0.733 | S | S | * | * | trans | -100.8 | 130.4 | -178.4 | -71.5 | 179.9 | 173.3 | -173 | 0 | 110.5 | ||||
| 160 | E | 32.8 | Very low | 38.3 | Very low | 201 Ų | 201 | 127.5 Ų | 127.5 | 94% | 0.939 | 73% | 0.731 | S | S | * | * | trans | -132.5 | 138.7 | 158.6 | -96.8 | 178.9 | 166 | 0 | 0 | 108.3 | ||||
| 161 | E | 30.5 | Very low | 37.4 | Very low | 166 Ų | 166 | 135.4 Ų | 135.4 | 78% | 0.776 | 74% | 0.74 | S | S | * | * | trans | -120 | 133.6 | 174.7 | -42.7 | -179.9 | -166.7 | 0 | 0 | 103.7 | ||||
| 162 | V | 31.4 | Very low | 36.9 | Very low | 127 Ų | 127 | 136.2 Ų | 136.2 | 77% | 0.77 | 74% | 0.741 | S | S | * | * | -174.8 | 132.6 | 62.2 | 152.9 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 163 | N | 28.5 | Very low | 36.3 | Very low | 134 Ų | 134 | 141.4 Ų | 141.4 | 72% | 0.717 | 75% | 0.752 | S | S | * | * | trans | 47.2 | 120.3 | 137.4 | -159.3 | 38.5 | 0 | 0 | 0 | 122.4 | ||||
| 164 | E | 26.2 | Very low | 35.3 | Very low | 195 Ų | 195 | 143.1 Ų | 143.1 | 91% | 0.911 | 76% | 0.761 | S | S | * | * | -156.7 | 122.5 | 121 | -98.2 | -174.8 | 153 | 0 | 0 | 111 | |||||
| 165 | C | 30.9 | Very low | 34.2 | Very low | 110 Ų | 110 | 147.2 Ų | 147.2 | 74% | 0.743 | 78% | 0.775 | S | S | * | * | trans | -85.8 | 153.8 | 163.4 | -87.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 166 | S | 31.6 | Very low | 33.2 | Very low | 115 Ų | 115 | 153.7 Ų | 153.7 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | cis | -164.2 | 162.6 | 30.4 | -101.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 167 | E | 32.1 | Very low | 32.6 | Very low | 198 Ų | 198 | 154.4 Ų | 154.4 | 93% | 0.925 | 80% | 0.796 | S | S | * | * | trans | -60.2 | 163 | -179.1 | -62.5 | 172.5 | 98.9 | 0 | 0 | 117.7 | ||||
| 168 | G | 32.5 | Very low | 32.2 | Very low | 80 Ų | 80 | 158.2 Ų | 158.2 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | trans | 154.6 | 105.2 | 132.7 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 169 | G | 31.3 | Very low | 32.3 | Very low | 74 Ų | 74 | 152.7 Ų | 152.7 | 76% | 0.763 | 79% | 0.791 | S | S | * | * | trans | 108.3 | 86.5 | 136.4 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 170 | D | 31.3 | Very low | 32.1 | Very low | 159 Ų | 159 | 152 Ų | 152 | 85% | 0.85 | 79% | 0.791 | S | S | * | * | trans | 35 | 118.7 | 134.7 | -62.6 | -43 | 0 | 0 | 0 | 122.2 | ||||
| 171 | R | 37.1 | Very low | 32.5 | Very low | 232 Ų | 232 | 150.3 Ų | 150.3 | 88% | 0.875 | 79% | 0.787 | S | S | * | * | 171.4 | 115 | 103.9 | -100.4 | -175.5 | 167 | 177.4 | -2.9 | 112.9 | |||||
| 172 | N | 31.8 | Very low | 33.7 | Very low | 115 Ų | 115 | 147.1 Ų | 147.1 | 62% | 0.615 | 78% | 0.781 | S | S | * | * | 55.7 | 109.2 | 126.5 | -78 | -8.7 | 0 | 0 | 0 | 122.2 | |||||
| 173 | Y | 30.8 | Very low | 33.8 | Very low | 194 Ų | 194 | 151.9 Ų | 151.9 | 76% | 0.761 | 79% | 0.786 | S | S | * | * | 83.6 | 129 | 121.9 | -69 | -55.9 | 0 | 0 | 0 | 121.9 | |||||
| 174 | L | 35.3 | Very low | 34.7 | Very low | 148 Ų | 148 | 154.5 Ų | 154.5 | 78% | 0.775 | 79% | 0.792 | S | S | * | * | trans | 90.4 | 103.5 | 150.8 | -92.8 | 76 | 0 | 0 | 0 | 119.5 | ||||
| 175 | K | 32.9 | Very low | 35.4 | Very low | 189 Ų | 189 | 151.3 Ų | 151.3 | 82% | 0.822 | 79% | 0.786 | S | S | * | * | 54.3 | 126.3 | 115.9 | -101.7 | -177.9 | 179.1 | 175.5 | 0 | 119.1 | |||||
| 176 | R | 29.3 | Very low | 35.7 | Very low | 223 Ų | 223 | 150.2 Ų | 150.2 | 84% | 0.842 | 78% | 0.784 | S | S | * | * | 100.4 | 115 | 122.1 | -163.3 | 173.3 | -147.7 | -141.7 | 4.1 | 118 | |||||
| 177 | S | 29.9 | Very low | 36.1 | Very low | 91 Ų | 91 | 153.9 Ų | 153.9 | 64% | 0.636 | 79% | 0.786 | S | S | * | * | trans | 65.7 | 124.2 | 139.2 | -59.8 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 178 | Q | 35.5 | Very low | 36.5 | Very low | 176 Ų | 176 | 152.8 Ų | 152.8 | 82% | 0.822 | 78% | 0.78 | S | S | * | * | 59.6 | 124.5 | 118.8 | -159.2 | 169.1 | 12.5 | 0 | 0 | 120.2 | |||||
| 179 | S | 40.6 | Very low | 36.9 | Very low | 86 Ų | 86 | 153.3 Ų | 153.3 | 60% | 0.601 | 77% | 0.769 | S | S | * | * | trans | 69.2 | 136.5 | 168.6 | 58.5 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 180 | H | 32.6 | Very low | 38.1 | Very low | 179 Ų | 179 | 155.3 Ų | 155.3 | 83% | 0.829 | 77% | 0.769 | S | S | * | * | -156.2 | 147.6 | 50.3 | -48.9 | -85.8 | 0 | 0 | 0 | 110.9 | |||||
| 181 | L | 40.1 | Very low | 39.1 | Very low | 166 Ų | 166 | 153.9 Ų | 153.9 | 87% | 0.869 | 76% | 0.762 | S | S | * | * | trans | -63.3 | 172.3 | 164.1 | -126.7 | 71.2 | 0 | 0 | 0 | 110 | ||||
| 182 | P | 55.1 | Low | 40.4 | Very low | 98 Ų | 98 | 146.7 Ų | 146.7 | 64% | 0.636 | 74% | 0.74 | S | S | * | * | cis | -137.7 | 152.5 | 2.7 | 37.3 | -17.8 | 0 | 0 | 0 | 115.5 | ||||
| 183 | Y | 34.1 | Very low | 43 | Very low | 228 Ų | 228 | 144 Ų | 144 | 89% | 0.894 | 73% | 0.734 | S | S | * | * | trans | -127.2 | 110 | 153 | -92.9 | -86 | 0 | 0 | 0 | 109.6 | T185 | Y183-T185 PolarHBondContact O-N 2.88Å; Y183-T185 VanDerWaalsContact O-N 3.1Å | ||
| 184 | F | 47 | Very low | 46 | Very low | 188 Ų | 188 | 139.2 Ų | 139.2 | 83% | 0.825 | 72% | 0.721 | S | S | * | * | trans | -49.8 | 105.9 | 162.7 | -133.6 | -100.1 | 0 | 0 | 0 | 107.9 | ||||
| 185 | T | 41.4 | Very low | 48.9 | Very low | 128 Ų | 128 | 136 Ų | 136 | 79% | 0.785 | 70% | 0.703 | S | S | * | * | trans | -97.9 | 125.8 | 156.5 | 51.5 | 0 | 0 | 0 | 0 | 106.3 | Y183 K187 | Y183-T185 PolarHBondContact O-N 2.88Å; Y183-T185 VanDerWaalsContact O-N 3.1Å; T185-K187 PolarHBondContact O-N 3.44Å | ||
| 186 | A | 37.4 | Very low | 51.9 | Low | 87 Ų | 87 | 128.8 Ų | 128.8 | 72% | 0.719 | 67% | 0.672 | S | S | * | * | trans | -51.8 | 128.3 | -170.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | H188 | A186-H188 PolarHBondContact O-N 3.42Å; A186-H188 VanDerWaalsContact O-N 3.1Å | ||
| 187 | K | 39.5 | Very low | 55.1 | Low | 192 Ų | 192 | 119.9 Ų | 119.9 | 84% | 0.835 | 65% | 0.646 | S | S | * | * | trans | -54 | 112.9 | 164.1 | -65.7 | -172.4 | 173.7 | -175.6 | 0 | 108.5 | T185 | T185-K187 PolarHBondContact O-N 3.44Š| ||
| 188 | H | 41 | Very low | 58.1 | Low | 175 Ų | 175 | 116.4 Ų | 116.4 | 81% | 0.81 | 62% | 0.624 | S | S | * | * | trans | -65.9 | 133.8 | 142.4 | -95.4 | -89.2 | 0 | 0 | 0 | 106.7 | A186 | A186-H188 PolarHBondContact O-N 3.42Å; A186-H188 VanDerWaalsContact O-N 3.1Å | ||
| 189 | P | 41.3 | Very low | 60.8 | Low | 91 Ų | 91 | 110.9 Ų | 110.9 | 59% | 0.591 | 60% | 0.597 | S | S | * | * | trans | -60.8 | 128.8 | 168.7 | -10.8 | 24.5 | 0 | 0 | 0 | 108 | D191 | P189-D191 PolarHBondContact O-N 2.9Å; P189-D191 VanDerWaalsContact O-N 3.09Å | ||
| 190 | P | 55.8 | Low | 63.3 | Low | 117 Ų | 117 | 106.8 Ų | 106.8 | 76% | 0.76 | 57% | 0.568 | S | S | * | * | trans | -84.7 | 56.4 | 174.6 | 37 | -33.2 | 0 | 0 | 0 | 109.6 | N192 | P190-N192 PolarHBondContact O-N 3.2Š| ||
| 191 | D | 52.6 | Low | 66.2 | Low | 129 Ų | 129 | 98.4 Ų | 98.4 | 69% | 0.69 | 53% | 0.529 | S | S | * | . | trans | -100.3 | 74.3 | -172.3 | -68.3 | -13.1 | 0 | 0 | 0 | 109.9 | P189 | P189-D191 PolarHBondContact O-N 2.9Å; P189-D191 VanDerWaalsContact O-N 3.09Å | ||
| 192 | N | 64.3 | Low | 68.7 | Low | 81 Ų | 81 | 91.1 Ų | 91.1 | 43% | 0.433 | 49% | 0.49 | S | S | . | . | trans | 168.2 | 81.2 | 147 | -82.3 | -20.6 | 0 | 0 | 0 | 107.3 | P190 I194 D218 | P190-N192 PolarHBondContact O-N 3.2Å; N192-I194 PolarHBondContact O-N 2.79Å; N192-I194 VanDerWaalsContact O-N 3.12Å; N192-D218 HydrophobicContact CB-CB 3.95Å | ||
| 193 | A | 87.1 | Confident | 70.5 | Confident | 57 Ų | 57 | 87.4 Ų | 87.4 | 47% | 0.471 | 47% | 0.465 | S | S | . | . | trans | -57.7 | 120.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | I195 | A193-I195 PolarHBondContact O-N 2.92Å; A193-I195 VanDerWaalsContact O-N 3.14Å | ||
| 194 | I | 93.1 | Very high | 73.1 | Confident | 95 Ų | 95 | 77.1 Ų | 77.1 | 49% | 0.487 | 43% | 0.428 | S | S | . | . | trans | -68.8 | 113 | 177.7 | -60.8 | 159.2 | 0 | 0 | 0 | 107.6 | N192 A197 Q216 | N192-I194 PolarHBondContact O-N 2.79Å; N192-I194 VanDerWaalsContact O-N 3.12Å; I194-A197 HydrophobicContact CG2-CB 3.84Å; I194-Q216 HydrophobicContact CG1-CG 4.04Å; I194-Q216 HydrophobicContact CG2-CG 3.87Å | ||
| 195 | I | 95.7 | Very high | 74.9 | Confident | 79 Ų | 79 | 70.4 Ų | 70.4 | 41% | 0.405 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -75.6 | -43 | 178.9 | -61.1 | 176.1 | 0 | 0 | 0 | 109.9 | A193 L217 E219 A285 A289 | A193-I195 PolarHBondContact O-N 2.92Å; A193-I195 VanDerWaalsContact O-N 3.14Å; I195-L217 HydrophobicContact CB-CD2 4.06Å; I195-L217 HydrophobicContact CB-CG 4.12Å; I195-L217 HydrophobicContact CD1-CG 4.45Å; I195-L217 HydrophobicContact CG2-CD2 3.95Å; I195-L217 PolarHBondContact N-O 3.21Å; I195-E219 HydrophobicContact CD1-CG 4.17Å; I195-E219 HydrophobicContact CG1-CG 4.49Å; I195-A285 HydrophobicContact CG2-CB 4.33Å; I195-A289 HydrophobicContact CD1-CB 3.76Å |
| 196 | K | 96.4 | Very high | 76.9 | Confident | 38 Ų | 38 | 71 Ų | 71 | 17% | 0.165 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 138.6 | 177.2 | -172 | 173.8 | 166.6 | 79.3 | 0 | 109.6 | L217 D278 S281 W282 A285 | K196-L217 PolarHBondContact N-O 3.17Å; K196-L217 PolarHBondContact O-N 2.99Å; K196-D278 WeakPolarHBondContact CE-OD1 3.31Å; K196-D278 IonicContact NZ-OD1 3.78Å; K196-D278 PolarHBondContact NZ-OD1 3.15Å; K196-S281 PolarHBondContact NZ-OG 3.26Å; K196-W282 HydrophobicContact CB-CE3 4.46Å; K196-W282 HydrophobicContact CB-CH2 4.3Å; K196-W282 HydrophobicContact CB-CZ3 4.04Å; K196-W282 HydrophobicContact CD-CD2 3.68Å; K196-W282 HydrophobicContact CD-CE3 3.74Å; K196-W282 HydrophobicContact CD-CG 4.15Å; K196-W282 HydrophobicContact CD-CH2 4.34Å; K196-W282 HydrophobicContact CD-CZ2 4.28Å; K196-W282 HydrophobicContact CD-CZ3 4.07Å; K196-W282 VanDerWaalsContact CE-CD1 3.43Å; K196-W282 VanDerWaalsContact CE-CG 3.41Å; K196-W282 VanDerWaalsContact CE-NE1 3.3Å; K196-W282 HydrophobicContact CG-CD2 4.31Å; K196-W282 HydrophobicContact CG-CE3 4.14Å; K196-W282 HydrophobicContact CG-CH2 3.9Å; K196-W282 HydrophobicContact CG-CZ2 4.06Å; K196-W282 HydrophobicContact CG-CZ3 3.93Å; K196-A285 HydrophobicContact CB-CB 4.22Å; K196-A285 HydrophobicContact CD-CB 4.04Å |
| 197 | A | 96.1 | Very high | 79 | Confident | 36 Ų | 36 | 73.1 Ų | 73.1 | 30% | 0.298 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 153.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | I194 Y214 F215 Q216 | I194-A197 HydrophobicContact CG2-CB 3.84Å; A197-Y214 HydrophobicContact CB-CE1 3.96Å; A197-Y214 HydrophobicContact CB-CE2 4.45Å; A197-Y214 VanDerWaalsContact CB-OH 3.31Å; A197-Y214 WeakPolarHBondContact CB-OH 3.25Å; A197-F215 CarbonylContact C-O 3.51Å; A197-F215 WeakPolarHBondContact CA-O 3.39Å; A197-Q216 HydrophobicContact CB-CG 4.35Å |
| 198 | G | 93.9 | Very high | 81.2 | Confident | 18 Ų | 18 | 69.6 Ų | 69.6 | 19% | 0.186 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 164.6 | 166 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | F215 | G198-F215 PolarHBondContact N-O 3.04Å; G198-F215 PolarHBondContact O-N 3.49Å |
| 199 | Y | 92.4 | Very high | 83.2 | Confident | 61 Ų | 61 | 65.3 Ų | 65.3 | 24% | 0.239 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 137.2 | 179.2 | -72.9 | -87 | 0 | 0 | 0 | 111.6 | P50 R212 R213 Y214 E228 | P50-Y199 HydrophobicContact CG-CD2 4.31Å; P50-Y199 HydrophobicContact CG-CG 4.41Å; Y199-R212 VanDerWaalsContact CB-CZ 3.45Å; Y199-R212 HydrophobicContact CD1-CG 4.07Å; Y199-R213 WeakPolarHBondContact CA-O 3.41Å; Y199-Y214 HydrophobicContact CD1-CD2 4.33Å; Y199-Y214 AromaticContact CD2-CD2 3.86Å; Y199-Y214 HydrophobicContact CD2-CD2 3.86Å; Y199-Y214 HydrophobicContact CD2-CE2 4.49Å; Y199-Y214 HydrophobicContact CE1-CD2 4.19Å; Y199-Y214 AromaticContact CE2-CD2 3.67Å; Y199-Y214 HydrophobicContact CE2-CD2 3.67Å; Y199-Y214 HydrophobicContact CE2-CE2 4.26Å; Y199-Y214 HydrophobicContact CG-CD2 4.17Å; Y199-Y214 AromaticContact CZ-CD2 3.84Å; Y199-E228 WeakPolarHBondContact OH-CB 3.42Å; Y199-E228 PolarHBondContact OH-N 2.78Å |
| 200 | C | 93.5 | Very high | 85.5 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 162.4 | 169.8 | -54.3 | 0 | 0 | 0 | 0 | 110.2 | R212 R213 F215 V271 Q272 W282 | C200-R212 WeakPolarHBondContact O-CA 3.33Å; C200-R213 PolarHBondContact N-O 2.91Å; C200-R213 PolarHBondContact O-N 2.76Å; C200-R213 VanDerWaalsContact O-O 3.12Å; C200-F215 HydrophobicContact CB-CD2 3.76Å; C200-F215 HydrophobicContact CB-CE2 3.87Å; C200-V271 HydrophobicContact CB-CG1 3.36Å; C200-Q272 WeakPolarHBondContact CB-O 3.18Å; C200-W282 PolarHBondContact SG-NE1 3.41Å |
| 201 | V | 92.2 | Very high | 87.1 | Confident | 2 Ų | 2 | 62.1 Ų | 62.1 | 1% | 0.012 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 116.4 | 177.6 | -179.7 | 0 | 0 | 0 | 0 | 109.6 | W210 R212 V271 Q272 | V201-W210 HydrophobicContact CG1-CB 3.74Å; V201-W210 HydrophobicContact CG1-CE3 4.17Å; V201-R212 HydrophobicContact CG2-CB 4.12Å; V201-R212 HydrophobicContact CG2-CG 4.17Å; V201-V271 CarbonylContact O-C 3.54Å; V201-V271 WeakPolarHBondContact O-CA 3.38Å; V201-Q272 HydrophobicContact CB-CB 4.33Å; V201-Q272 PolarHBondContact N-O 2.79Å; V201-Q272 PolarHBondContact O-N 3.4Å |
| 202 | K | 93.3 | Very high | 88.8 | Confident | 13 Ų | 13 | 56.8 Ų | 56.8 | 6% | 0.057 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 148.4 | -175.7 | 64.2 | 160.7 | -58.3 | -58.4 | 0 | 113.5 | W210 K211 R213 F215 Y224 Y270 V271 | K202-W210 WeakPolarHBondContact O-CA 3.38Å; K202-K211 WeakPolarHBondContact CG-O 3.45Å; K202-K211 PolarHBondContact N-O 3.2Å; K202-K211 PolarHBondContact O-N 2.76Å; K202-R213 HydrophobicContact CD-CB 4.43Å; K202-R213 HydrophobicContact CD-CG 3.97Å; K202-R213 HydrophobicContact CG-CB 4.39Å; K202-R213 HydrophobicContact CG-CG 3.95Å; K202-F215 HydrophobicContact CB-CE2 4.17Å; K202-F215 HydrophobicContact CB-CZ 3.86Å; K202-F215 HydrophobicContact CD-CE2 4.29Å; K202-F215 HydrophobicContact CD-CZ 3.8Å; K202-F215 HydrophobicContact CG-CE2 4.22Å; K202-F215 HydrophobicContact CG-CZ 4.06Å; K202-Y224 HydrophobicContact CD-CD1 4.23Å; K202-Y224 HydrophobicContact CD-CD2 3.96Å; K202-Y224 HydrophobicContact CD-CE1 4.13Å; K202-Y224 HydrophobicContact CD-CE2 3.88Å; K202-Y224 HydrophobicContact CD-CG 4.15Å; K202-Y270 WeakPolarHBondContact CA-O 3.48Å; K202-V271 HydrophobicContact CB-CG2 4.26Å |
| 203 | Q | 92.4 | Very high | 90.2 | Very high | 21 Ų | 21 | 55.3 Ų | 55.3 | 10% | 0.098 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 134.9 | 175.8 | -159.5 | -173.9 | 23.9 | 0 | 0 | 112.4 | K208 W210 M254 R267 Y270 | Q203-K208 HydrophobicContact CG-CB 4.36Å; Q203-K208 HydrophobicContact CG-CD 4.46Å; Q203-K208 WeakPolarHBondContact CG-O 3.4Å; Q203-W210 HydrophobicContact CB-CD2 4.16Å; Q203-W210 HydrophobicContact CB-CE3 4.01Å; Q203-W210 HydrophobicContact CB-CH2 4.11Å; Q203-W210 HydrophobicContact CB-CZ2 4.26Å; Q203-W210 HydrophobicContact CB-CZ3 3.98Å; Q203-W210 HydrophobicContact CG-CD2 4.32Å; Q203-W210 HydrophobicContact CG-CZ2 4.26Å; Q203-M254 VanDerWaalsContact CD-CE 3.48Å; Q203-M254 VanDerWaalsContact OE1-CE 3.26Å; Q203-R267 PolarHBondContact O-NH2 3.17Å; Q203-Y270 PolarHBondContact N-O 2.84Å |
| 204 | G | 88.4 | Confident | 90.5 | Very high | 12 Ų | 12 | 53.8 Ų | 53.8 | 12% | 0.124 | 28% | 0.279 | C | S | . | . | trans | -62 | 156.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113 | M207 N209 R267 | G204-M207 CarbonylContact C-O 3.55Å; G204-M207 VanDerWaalsContact CA-O 3.28Å; G204-M207 WeakPolarHBondContact CA-O 3.29Å; G204-N209 WeakPolarHBondContact CA-O 3.21Å; G204-N209 PolarHBondContact N-O 3Å; G204-R267 VanDerWaalsContact C-NH2 3.35Å; G204-R267 PolarHBondContact O-NH2 3.39Å | ||
| 205 | A | 85 | Confident | 90.7 | Very high | 46 Ų | 46 | 49.5 Ų | 49.5 | 38% | 0.38 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -72.8 | -60.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | K208 R267 | A205-K208 PolarHBondContact O-NZ 3.23Å; A205-R267 VanDerWaalsContact CA-CZ 3.42Å; A205-R267 VanDerWaalsContact CA-NH1 3.28Å |
| 206 | V | 83.6 | Confident | 90.7 | Very high | 140 Ų | 140 | 47.8 Ų | 47.8 | 85% | 0.848 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -87 | -74.3 | -176.3 | -177.6 | 0 | 0 | 0 | 0 | 108.1 | K208 | V206-K208 PolarHBondContact O-N 2.98Š|
| 207 | M | 81.3 | Confident | 90.8 | Very high | 133 Ų | 133 | 46 Ų | 46 | 66% | 0.655 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -73.2 | 118.4 | 170.4 | -155 | 66.6 | -178.3 | 0 | 0 | 108.4 | G204 N209 | G204-M207 CarbonylContact C-O 3.55Å; G204-M207 VanDerWaalsContact CA-O 3.28Å; G204-M207 WeakPolarHBondContact CA-O 3.29Å; M207-N209 VanDerWaalsContact CG-ND2 3.32Å; M207-N209 WeakPolarHBondContact CG-ND2 3.44Å; M207-N209 PolarHBondContact O-N 2.86Å |
| 208 | K | 85.3 | Confident | 90.8 | Very high | 118 Ų | 118 | 45 Ų | 45 | 51% | 0.513 | 23% | 0.229 | S | C | . | . | trans | -70.5 | 26.4 | -176.4 | -62.8 | -52.4 | -176.6 | -169.3 | 0 | 114.1 | Q203 A205 V206 | Q203-K208 HydrophobicContact CG-CB 4.36Å; Q203-K208 HydrophobicContact CG-CD 4.46Å; Q203-K208 WeakPolarHBondContact CG-O 3.4Å; A205-K208 PolarHBondContact O-NZ 3.23Å; V206-K208 PolarHBondContact O-N 2.98Å | ||
| 209 | N | 84.7 | Confident | 90.7 | Very high | 84 Ų | 84 | 49.2 Ų | 49.2 | 45% | 0.449 | 24% | 0.244 | S | C | . | . | trans | -69.8 | 141.8 | 176.9 | -66.1 | -11.7 | 0 | 0 | 0 | 110.5 | G204 M207 | G204-N209 WeakPolarHBondContact CA-O 3.21Å; G204-N209 PolarHBondContact N-O 3Å; M207-N209 VanDerWaalsContact CG-ND2 3.32Å; M207-N209 WeakPolarHBondContact CG-ND2 3.44Å; M207-N209 PolarHBondContact O-N 2.86Å | ||
| 210 | W | 88.8 | Confident | 90.8 | Very high | 37 Ų | 37 | 50.2 Ų | 50.2 | 14% | 0.14 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 134.1 | 176.2 | -65.1 | 88.7 | 0 | 0 | 0 | 109.6 | V201 K202 Q203 M254 R256 L259 | V201-W210 HydrophobicContact CG1-CB 3.74Å; V201-W210 HydrophobicContact CG1-CE3 4.17Å; K202-W210 WeakPolarHBondContact O-CA 3.38Å; Q203-W210 HydrophobicContact CB-CD2 4.16Å; Q203-W210 HydrophobicContact CB-CE3 4.01Å; Q203-W210 HydrophobicContact CB-CH2 4.11Å; Q203-W210 HydrophobicContact CB-CZ2 4.26Å; Q203-W210 HydrophobicContact CB-CZ3 3.98Å; Q203-W210 HydrophobicContact CG-CD2 4.32Å; Q203-W210 HydrophobicContact CG-CZ2 4.26Å; W210-M254 HydrophobicContact CH2-CE 3.81Å; W210-M254 HydrophobicContact CH2-SD 4.37Å; W210-M254 HydrophobicContact CZ2-CB 4.44Å; W210-M254 HydrophobicContact CZ2-CE 3.42Å; W210-M254 VanDerWaalsContact CZ2-CE 3.42Å; W210-M254 HydrophobicContact CZ2-SD 4.27Å; W210-R256 HydrophobicContact CZ2-CG 4.23Å; W210-L259 HydrophobicContact CH2-CD1 3.47Å; W210-L259 VanDerWaalsContact CH2-CD1 3.47Å; W210-L259 HydrophobicContact CH2-CD2 4.27Å; W210-L259 HydrophobicContact CZ3-CD1 3.66Å |
| 211 | K | 88.4 | Confident | 90.9 | Very high | 105 Ų | 105 | 51.6 Ų | 51.6 | 46% | 0.457 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 130.7 | -178.2 | -65.4 | -170.3 | 178 | -174.4 | 0 | 109.7 | K202 | K202-K211 WeakPolarHBondContact CG-O 3.45Å; K202-K211 PolarHBondContact N-O 3.2Å; K202-K211 PolarHBondContact O-N 2.76Å |
| 212 | R | 89.1 | Confident | 91.1 | Very high | 16 Ų | 16 | 51.6 Ų | 51.6 | 6% | 0.06 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 135.1 | 170.3 | -161.9 | 170.3 | -174.2 | 93.4 | -3.2 | 110.5 | N48 P50 Y199 C200 V201 D274 | N48-R212 WeakPolarHBondContact O-CB 3.45Å; N48-R212 WeakPolarHBondContact O-CD 3.35Å; N48-R212 WeakPolarHBondContact O-CG 3.23Å; P50-R212 VanDerWaalsContact CG-CZ 3.45Å; P50-R212 VanDerWaalsContact CG-NE 3.27Å; Y199-R212 VanDerWaalsContact CB-CZ 3.45Å; Y199-R212 HydrophobicContact CD1-CG 4.07Å; C200-R212 WeakPolarHBondContact O-CA 3.33Å; V201-R212 HydrophobicContact CG2-CB 4.12Å; V201-R212 HydrophobicContact CG2-CG 4.17Å; R212-D274 IonicContact CZ-OD1 3.51Å; R212-D274 IonicContact CZ-OD2 3.66Å; R212-D274 IonicContact NH1-OD1 3.91Å; R212-D274 PolarHBondContact NH1-OD1 2.85Å; R212-D274 IonicContact NH1-OD2 3.65Å; R212-D274 IonicContact NH2-OD1 3.32Å; R212-D274 PolarHBondContact NH2-OD1 3.18Å; R212-D274 IonicContact NH2-OD2 2.72Å; R212-D274 PolarHBondContact NH2-OD2 3.13Å |
| 213 | R | 93.4 | Very high | 91.3 | Very high | 50 Ų | 50 | 51.1 Ų | 51.1 | 19% | 0.189 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 147.2 | 180 | -65.5 | -62.6 | 179.7 | -120.9 | 16.4 | 109.1 | Y199 C200 K202 F215 Y224 F225 L234 | Y199-R213 WeakPolarHBondContact CA-O 3.41Å; C200-R213 PolarHBondContact N-O 2.91Å; C200-R213 PolarHBondContact O-N 2.76Å; C200-R213 VanDerWaalsContact O-O 3.12Å; K202-R213 HydrophobicContact CD-CB 4.43Å; K202-R213 HydrophobicContact CD-CG 3.97Å; K202-R213 HydrophobicContact CG-CB 4.39Å; K202-R213 HydrophobicContact CG-CG 3.95Å; R213-F215 HydrophobicContact CB-CD2 4.3Å; R213-F215 HydrophobicContact CB-CE2 3.95Å; R213-F215 WeakPolarHBondContact O-CD2 3.21Å; R213-Y224 HydrophobicContact CB-CD2 4.24Å; R213-Y224 HydrophobicContact CG-CD2 4.07Å; R213-F225 WeakPolarHBondContact CA-O 3.39Å; R213-F225 WeakPolarHBondContact CB-O 3.45Å; R213-F225 WeakPolarHBondContact CD-O 3.24Å; R213-L234 VanDerWaalsContact NE-CD1 3.29Å |
| 214 | Y | 93.6 | Very high | 91.4 | Very high | 26 Ų | 26 | 51 Ų | 51 | 10% | 0.102 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 117.8 | 171.3 | -174.2 | -101 | 0 | 0 | 0 | 107.7 | A197 Y199 Y224 F225 E228 | A197-Y214 HydrophobicContact CB-CE1 3.96Å; A197-Y214 HydrophobicContact CB-CE2 4.45Å; A197-Y214 VanDerWaalsContact CB-OH 3.31Å; A197-Y214 WeakPolarHBondContact CB-OH 3.25Å; Y199-Y214 HydrophobicContact CD1-CD2 4.33Å; Y199-Y214 AromaticContact CD2-CD2 3.86Å; Y199-Y214 HydrophobicContact CD2-CD2 3.86Å; Y199-Y214 HydrophobicContact CD2-CE2 4.49Å; Y199-Y214 HydrophobicContact CE1-CD2 4.19Å; Y199-Y214 AromaticContact CE2-CD2 3.67Å; Y199-Y214 HydrophobicContact CE2-CD2 3.67Å; Y199-Y214 HydrophobicContact CE2-CE2 4.26Å; Y199-Y214 HydrophobicContact CG-CD2 4.17Å; Y199-Y214 AromaticContact CZ-CD2 3.84Å; Y214-Y224 CarbonylContact O-C 3.57Å; Y214-Y224 WeakPolarHBondContact O-CA 3.32Å; Y214-F225 HydrophobicContact CD1-CD2 4.2Å; Y214-F225 PolarHBondContact N-O 2.91Å; Y214-F225 VanDerWaalsContact N-O 3.1Å; Y214-F225 PolarHBondContact O-N 2.96Å; Y214-E228 HydrophobicContact CD1-CB 4.3Å; Y214-E228 HydrophobicContact CD2-CB 3.79Å; Y214-E228 HydrophobicContact CD2-CG 4.31Å; Y214-E228 HydrophobicContact CE1-CB 4.31Å; Y214-E228 HydrophobicContact CE1-CG 4.14Å; Y214-E228 HydrophobicContact CE2-CB 3.77Å; Y214-E228 HydrophobicContact CE2-CG 3.77Å; Y214-E228 WeakPolarHBondContact CE2-OE1 3.39Å; Y214-E228 HydrophobicContact CG-CB 4.02Å; Y214-E228 PolarHBondContact OH-OE1 3.42Å |
| 215 | F | 96.8 | Very high | 91.7 | Very high | 4 Ų | 4 | 51.3 Ų | 51.3 | 2% | 0.018 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 143.9 | 176.4 | -79.3 | -102.3 | 0 | 0 | 0 | 109.6 | A197 G198 C200 K202 R213 I222 G223 Y224 V271 W282 | A197-F215 CarbonylContact C-O 3.51Å; A197-F215 WeakPolarHBondContact CA-O 3.39Å; G198-F215 PolarHBondContact N-O 3.04Å; G198-F215 PolarHBondContact O-N 3.49Å; C200-F215 HydrophobicContact CB-CD2 3.76Å; C200-F215 HydrophobicContact CB-CE2 3.87Å; K202-F215 HydrophobicContact CB-CE2 4.17Å; K202-F215 HydrophobicContact CB-CZ 3.86Å; K202-F215 HydrophobicContact CD-CE2 4.29Å; K202-F215 HydrophobicContact CD-CZ 3.8Å; K202-F215 HydrophobicContact CG-CE2 4.22Å; K202-F215 HydrophobicContact CG-CZ 4.06Å; R213-F215 HydrophobicContact CB-CD2 4.3Å; R213-F215 HydrophobicContact CB-CE2 3.95Å; R213-F215 WeakPolarHBondContact O-CD2 3.21Å; F215-I222 HydrophobicContact CD1-CG2 3.99Å; F215-G223 WeakPolarHBondContact CA-O 3.05Å; F215-Y224 AromaticContact CE1-CD1 3.99Å; F215-Y224 HydrophobicContact CE1-CD1 3.99Å; F215-Y224 HydrophobicContact CE1-CG 4.25Å; F215-Y224 HydrophobicContact CZ-CD1 4.3Å; F215-Y224 HydrophobicContact CZ-CG 4.31Å; F215-V271 HydrophobicContact CE1-CG2 4.29Å; F215-V271 HydrophobicContact CE2-CG1 4.19Å; F215-V271 HydrophobicContact CZ-CG1 4.1Å; F215-V271 HydrophobicContact CZ-CG2 3.98Å; F215-W282 HydrophobicContact CB-CH2 3.7Å; F215-W282 HydrophobicContact CB-CZ2 4.06Å; F215-W282 HydrophobicContact CB-CZ3 4.29Å |
| 216 | Q | 97.1 | Very high | 91.9 | Very high | 43 Ų | 43 | 55.1 Ų | 55.1 | 20% | 0.201 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 124 | 174.8 | -168.4 | 173.1 | 48.8 | 0 | 0 | 107.8 | I194 A197 I222 G223 F225 | I194-Q216 HydrophobicContact CG1-CG 4.04Å; I194-Q216 HydrophobicContact CG2-CG 3.87Å; A197-Q216 HydrophobicContact CB-CG 4.35Å; Q216-I222 CarbonylContact O-C 3.57Å; Q216-I222 WeakPolarHBondContact O-CA 3.28Å; Q216-G223 PolarHBondContact N-O 3.4Å; Q216-G223 PolarHBondContact O-N 2.89Å; Q216-F225 HydrophobicContact CB-CE2 3.89Å |
| 217 | L | 97.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 124 | 171.5 | 170.3 | 73 | 0 | 0 | 0 | 107.4 | I195 K196 I222 L239 W282 A285 I286 A289 | I195-L217 HydrophobicContact CB-CD2 4.06Å; I195-L217 HydrophobicContact CB-CG 4.12Å; I195-L217 HydrophobicContact CD1-CG 4.45Å; I195-L217 HydrophobicContact CG2-CD2 3.95Å; I195-L217 PolarHBondContact N-O 3.21Å; K196-L217 PolarHBondContact N-O 3.17Å; K196-L217 PolarHBondContact O-N 2.99Å; L217-I222 HydrophobicContact CD1-CD1 4.41Å; L217-I222 HydrophobicContact CD1-CG1 3.61Å; L217-L239 HydrophobicContact CD1-CD1 4.14Å; L217-L239 HydrophobicContact CD1-CD2 4.01Å; L217-W282 HydrophobicContact CB-CZ3 4.04Å; L217-A285 VanDerWaalsContact CD2-C 3.44Å; L217-A285 HydrophobicContact CD2-CB 3.61Å; L217-I286 HydrophobicContact CD1-CG1 4.22Å; L217-I286 HydrophobicContact CD2-CG1 4.02Å; L217-A289 HydrophobicContact CD1-CB 4.19Å; L217-A289 HydrophobicContact CD2-CB 4.47Å |
| 218 | D | 95.3 | Very high | 92.5 | Very high | 15 Ų | 15 | 49 Ų | 49 | 8% | 0.08 | 23% | 0.23 | C | C | . | . | trans | -114.8 | -177.2 | 167.9 | 42.6 | 28.5 | 0 | 0 | 0 | 109.8 | N192 N220 T221 | N192-D218 HydrophobicContact CB-CB 3.95Å; D218-N220 PolarHBondContact O-N 3.1Å; D218-T221 PolarHBondContact N-O 2.95Å; D218-T221 VanDerWaalsContact N-O 3.15Å; D218-T221 VanDerWaalsContact OD1-CA 3.22Å; D218-T221 WeakPolarHBondContact OD1-CA 3.29Å; D218-T221 WeakPolarHBondContact OD1-CB 3.34Å; D218-T221 PolarHBondContact OD1-N 3.36Å; D218-T221 PolarHBondContact OD1-OG1 3.2Å; D218-T221 PolarHBondContact OD2-OG1 3.46Å | ||
| 219 | E | 93.4 | Very high | 92.6 | Very high | 107 Ų | 107 | 51 Ų | 51 | 50% | 0.5 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -63 | -22.4 | -176.3 | -63.4 | -178.4 | -172.2 | 0 | 0 | 113.2 | I195 Q293 | I195-E219 HydrophobicContact CD1-CG 4.17Å; I195-E219 HydrophobicContact CG1-CG 4.49Å; E219-Q293 PolarHBondContact O-NE2 3.09Å |
| 220 | N | 93.9 | Very high | 92.8 | Very high | 82 Ų | 82 | 51.1 Ų | 51.1 | 44% | 0.439 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -114.5 | -28.5 | -172.5 | -66.7 | 92.1 | 0 | 0 | 0 | 114.6 | D218 L239 Q293 | D218-N220 PolarHBondContact O-N 3.1Å; N220-L239 WeakPolarHBondContact O-CB 3.25Å; N220-L239 WeakPolarHBondContact O-CG 3.18Å; N220-L239 PolarHBondContact O-N 2.83Å; N220-Q293 VanDerWaalsContact CA-NE2 3.3Å |
| 221 | T | 96.2 | Very high | 92.7 | Very high | 30 Ų | 30 | 58.9 Ų | 58.9 | 18% | 0.184 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 167.2 | -167.7 | 75.9 | 0 | 0 | 0 | 0 | 113.7 | D218 V236 I237 | D218-T221 PolarHBondContact N-O 2.95Å; D218-T221 VanDerWaalsContact N-O 3.15Å; D218-T221 VanDerWaalsContact OD1-CA 3.22Å; D218-T221 WeakPolarHBondContact OD1-CA 3.29Å; D218-T221 WeakPolarHBondContact OD1-CB 3.34Å; D218-T221 PolarHBondContact OD1-N 3.36Å; D218-T221 PolarHBondContact OD1-OG1 3.2Å; D218-T221 PolarHBondContact OD2-OG1 3.46Å; T221-V236 HydrophobicContact CG2-CG1 3.64Å; T221-I237 CarbonylContact C-O 3.45Å; T221-I237 WeakPolarHBondContact CA-O 3.49Å |
| 222 | I | 96.8 | Very high | 92.9 | Very high | 1 Ų | 1 | 61.6 Ų | 61.6 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 108.2 | 165 | -58.7 | 162.8 | 0 | 0 | 0 | 106.8 | F215 Q216 L217 I237 L239 V242 I262 I286 | F215-I222 HydrophobicContact CD1-CG2 3.99Å; Q216-I222 CarbonylContact O-C 3.57Å; Q216-I222 WeakPolarHBondContact O-CA 3.28Å; L217-I222 HydrophobicContact CD1-CD1 4.41Å; L217-I222 HydrophobicContact CD1-CG1 3.61Å; I222-I237 HydrophobicContact CB-CB 4.29Å; I222-I237 PolarHBondContact N-O 2.74Å; I222-I237 WeakPolarHBondContact O-CB 3.11Å; I222-I237 PolarHBondContact O-N 3.09Å; I222-L239 HydrophobicContact CD1-CD2 3.65Å; I222-L239 HydrophobicContact CG1-CD2 3.66Å; I222-V242 HydrophobicContact CD1-CG2 4.49Å; I222-I262 HydrophobicContact CD1-CD1 4.25Å; I222-I262 HydrophobicContact CD1-CG2 4.49Å; I222-I286 HydrophobicContact CD1-CB 4.48Å; I222-I286 HydrophobicContact CD1-CD1 3.92Å; I222-I286 HydrophobicContact CD1-CG1 3.88Å; I222-I286 HydrophobicContact CD1-CG2 3.8Å; I222-I286 HydrophobicContact CG1-CG1 4.48Å |
| 223 | G | 96.2 | Very high | 93.1 | Very high | 4 Ų | 4 | 63.3 Ų | 63.3 | 4% | 0.041 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 147.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | F215 Q216 R235 | F215-G223 WeakPolarHBondContact CA-O 3.05Å; Q216-G223 PolarHBondContact N-O 3.4Å; Q216-G223 PolarHBondContact O-N 2.89Å; G223-R235 WeakPolarHBondContact CA-O 3.31Å |
| 224 | Y | 95.8 | Very high | 93.1 | Very high | 19 Ų | 19 | 65.3 Ų | 65.3 | 8% | 0.075 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 142.9 | 160.5 | 66 | -98.8 | 0 | 0 | 0 | 112.7 | K202 R213 Y214 F215 L234 R235 I237 F269 | K202-Y224 HydrophobicContact CD-CD1 4.23Å; K202-Y224 HydrophobicContact CD-CD2 3.96Å; K202-Y224 HydrophobicContact CD-CE1 4.13Å; K202-Y224 HydrophobicContact CD-CE2 3.88Å; K202-Y224 HydrophobicContact CD-CG 4.15Å; R213-Y224 HydrophobicContact CB-CD2 4.24Å; R213-Y224 HydrophobicContact CG-CD2 4.07Å; Y214-Y224 CarbonylContact O-C 3.57Å; Y214-Y224 WeakPolarHBondContact O-CA 3.32Å; F215-Y224 AromaticContact CE1-CD1 3.99Å; F215-Y224 HydrophobicContact CE1-CD1 3.99Å; F215-Y224 HydrophobicContact CE1-CG 4.25Å; F215-Y224 HydrophobicContact CZ-CD1 4.3Å; F215-Y224 HydrophobicContact CZ-CG 4.31Å; Y224-L234 HydrophobicContact CD2-CB 3.9Å; Y224-L234 HydrophobicContact CD2-CD1 4.12Å; Y224-L234 HydrophobicContact CE2-CB 3.67Å; Y224-L234 HydrophobicContact CE2-CD1 4.18Å; Y224-L234 WeakPolarHBondContact O-CB 3.48Å; Y224-L234 PolarHBondContact O-N 2.68Å; Y224-R235 HydrophobicContact CD1-CB 4.3Å; Y224-R235 HydrophobicContact CE1-CB 3.55Å; Y224-R235 HydrophobicContact CE1-CG 4.22Å; Y224-R235 HydrophobicContact CE2-CB 4.2Å; Y224-R235 VanDerWaalsContact CZ-CB 3.46Å; Y224-R235 PolarHBondContact N-O 2.87Å; Y224-R235 WeakPolarHBondContact OH-CB 3.45Å; Y224-R235 PolarHBondContact OH-NE 3.37Å; Y224-I237 HydrophobicContact CE1-CD1 4.47Å; Y224-F269 HydrophobicContact CE1-CE1 4.21Å |
| 225 | F | 94.5 | Very high | 93.1 | Very high | 17 Ų | 17 | 68.9 Ų | 68.9 | 8% | 0.075 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 160.1 | -170.3 | -56.4 | -102.9 | 0 | 0 | 0 | 110.2 | R213 Y214 Q216 S227 E230 E232 P233 | R213-F225 WeakPolarHBondContact CA-O 3.39Å; R213-F225 WeakPolarHBondContact CB-O 3.45Å; R213-F225 WeakPolarHBondContact CD-O 3.24Å; Y214-F225 HydrophobicContact CD1-CD2 4.2Å; Y214-F225 PolarHBondContact N-O 2.91Å; Y214-F225 VanDerWaalsContact N-O 3.1Å; Y214-F225 PolarHBondContact O-N 2.96Å; Q216-F225 HydrophobicContact CB-CE2 3.89Å; F225-S227 VanDerWaalsContact C-N 3.32Å; F225-S227 VanDerWaalsContact CB-O 3.28Å; F225-S227 WeakPolarHBondContact CB-O 3.33Å; F225-E230 HydrophobicContact CB-CB 4.45Å; F225-E230 WeakPolarHBondContact CD1-O 3.19Å; F225-E232 VanDerWaalsContact CD1-C 3.47Å; F225-E232 WeakPolarHBondContact CD1-O 3.41Å; F225-P233 VanDerWaalsContact CD1-CA 3.47Å; F225-P233 HydrophobicContact CD1-CB 4.12Å; F225-P233 VanDerWaalsContact CE1-CA 3.45Å; F225-P233 HydrophobicContact CE1-CB 3.67Å; F225-P233 HydrophobicContact CE1-CG 4.18Å; F225-P233 HydrophobicContact CE2-CB 4.23Å; F225-P233 HydrophobicContact CZ-CB 3.73Å; F225-P233 HydrophobicContact CZ-CG 4.32Å |
| 226 | K | 89.3 | Confident | 93.1 | Very high | 127 Ų | 127 | 72 Ų | 72 | 55% | 0.552 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -64.8 | -40.1 | 174.7 | -176.1 | -176.1 | 173.7 | -167.6 | 0 | 110.8 | E230 L234 | K226-E230 HydrophobicContact CB-CG 4.17Å; K226-L234 HydrophobicContact CB-CD1 4.21Å |
| 227 | S | 89 | Confident | 93 | Very high | 32 Ų | 32 | 70 Ų | 70 | 22% | 0.224 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -149.7 | 172.2 | 171.1 | 66.9 | 0 | 0 | 0 | 0 | 110.1 | F225 L229 E230 | F225-S227 VanDerWaalsContact C-N 3.32Å; F225-S227 VanDerWaalsContact CB-O 3.28Å; F225-S227 WeakPolarHBondContact CB-O 3.33Å; S227-L229 PolarHBondContact O-N 2.99Å; S227-E230 PolarHBondContact O-N 2.9Å; S227-E230 WeakPolarHBondContact OG-CG 3.47Å |
| 228 | E | 88.1 | Confident | 92.9 | Very high | 112 Ų | 112 | 71.5 Ų | 71.5 | 52% | 0.523 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -22.7 | 176.5 | -179.6 | 167.3 | -136.8 | 0 | 0 | 114.2 | Y199 Y214 E230 | Y199-E228 WeakPolarHBondContact OH-CB 3.42Å; Y199-E228 PolarHBondContact OH-N 2.78Å; Y214-E228 HydrophobicContact CD1-CB 4.3Å; Y214-E228 HydrophobicContact CD2-CB 3.79Å; Y214-E228 HydrophobicContact CD2-CG 4.31Å; Y214-E228 HydrophobicContact CE1-CB 4.31Å; Y214-E228 HydrophobicContact CE1-CG 4.14Å; Y214-E228 HydrophobicContact CE2-CB 3.77Å; Y214-E228 HydrophobicContact CE2-CG 3.77Å; Y214-E228 WeakPolarHBondContact CE2-OE1 3.39Å; Y214-E228 HydrophobicContact CG-CB 4.02Å; Y214-E228 PolarHBondContact OH-OE1 3.42Å; E228-E230 VanDerWaalsContact C-N 3.34Å |
| 229 | L | 86.6 | Confident | 92.9 | Very high | 160 Ų | 160 | 70.9 Ų | 70.9 | 84% | 0.838 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -11.9 | -177.8 | -58.8 | 176.9 | 0 | 0 | 0 | 113.2 | S227 | S227-L229 PolarHBondContact O-N 2.99Š|
| 230 | E | 88.6 | Confident | 92.9 | Very high | 86 Ų | 86 | 73.7 Ų | 73.7 | 40% | 0.402 | 36% | 0.36 | S | S | . | . | trans | -81.2 | 131.4 | -175.9 | -64.2 | -86.6 | -159.6 | 0 | 0 | 109.8 | F225 K226 S227 E228 | F225-E230 HydrophobicContact CB-CB 4.45Å; F225-E230 WeakPolarHBondContact CD1-O 3.19Å; K226-E230 HydrophobicContact CB-CG 4.17Å; S227-E230 PolarHBondContact O-N 2.9Å; S227-E230 WeakPolarHBondContact OG-CG 3.47Å; E228-E230 VanDerWaalsContact C-N 3.34Å | ||
| 231 | K | 87.7 | Confident | 93 | Very high | 200 Ų | 200 | 73.1 Ų | 73.1 | 87% | 0.87 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -79.9 | -28 | -179.6 | -65.8 | -175.1 | 178.6 | -179.4 | 0 | 112.9 | ||
| 232 | E | 91.4 | Very high | 93 | Very high | 163 Ų | 163 | 71.8 Ų | 71.8 | 76% | 0.762 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -101.4 | 125.4 | -175.6 | -67.2 | -168.8 | 168.4 | 0 | 0 | 111.8 | F225 | F225-E232 VanDerWaalsContact CD1-C 3.47Å; F225-E232 WeakPolarHBondContact CD1-O 3.41Å |
| 233 | P | 94.2 | Very high | 92.9 | Very high | 51 Ų | 51 | 77.4 Ų | 77.4 | 33% | 0.331 | 37% | 0.372 | S | S | . | . | trans | -69.3 | 136.2 | 174.5 | 27 | -31.7 | 0 | 0 | 0 | 109.8 | F225 R235 V236 | F225-P233 VanDerWaalsContact CD1-CA 3.47Å; F225-P233 HydrophobicContact CD1-CB 4.12Å; F225-P233 VanDerWaalsContact CE1-CA 3.45Å; F225-P233 HydrophobicContact CE1-CB 3.67Å; F225-P233 HydrophobicContact CE1-CG 4.18Å; F225-P233 HydrophobicContact CE2-CB 4.23Å; F225-P233 HydrophobicContact CZ-CB 3.73Å; F225-P233 HydrophobicContact CZ-CG 4.32Å; P233-R235 PolarHBondContact O-N 3.05Å; P233-V236 HydrophobicContact CB-CG2 3.83Å; P233-V236 HydrophobicContact CG-CG2 3.35Å | ||
| 234 | L | 93.3 | Very high | 92.8 | Very high | 93 Ų | 93 | 81.9 Ų | 81.9 | 49% | 0.487 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -62.8 | -30.1 | 170.7 | -68.2 | 169.5 | 0 | 0 | 0 | 111.4 | R213 Y224 K226 | R213-L234 VanDerWaalsContact NE-CD1 3.29Å; Y224-L234 HydrophobicContact CD2-CB 3.9Å; Y224-L234 HydrophobicContact CD2-CD1 4.12Å; Y224-L234 HydrophobicContact CE2-CB 3.67Å; Y224-L234 HydrophobicContact CE2-CD1 4.18Å; Y224-L234 WeakPolarHBondContact O-CB 3.48Å; Y224-L234 PolarHBondContact O-N 2.68Å; K226-L234 HydrophobicContact CB-CD1 4.21Å |
| 235 | R | 94.6 | Very high | 92.8 | Very high | 100 Ų | 100 | 81.8 Ų | 81.8 | 38% | 0.377 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.8 | 143.4 | 171.2 | -175.8 | 175.4 | -66.6 | -150.1 | -10 | 109.4 | G223 Y224 P233 I237 | G223-R235 WeakPolarHBondContact CA-O 3.31Å; Y224-R235 HydrophobicContact CD1-CB 4.3Å; Y224-R235 HydrophobicContact CE1-CB 3.55Å; Y224-R235 HydrophobicContact CE1-CG 4.22Å; Y224-R235 HydrophobicContact CE2-CB 4.2Å; Y224-R235 VanDerWaalsContact CZ-CB 3.46Å; Y224-R235 PolarHBondContact N-O 2.87Å; Y224-R235 WeakPolarHBondContact OH-CB 3.45Å; Y224-R235 PolarHBondContact OH-NE 3.37Å; P233-R235 PolarHBondContact O-N 3.05Å; R235-I237 HydrophobicContact CG-CG1 4.3Å |
| 236 | V | 95.7 | Very high | 93 | Very high | 69 Ų | 69 | 83 Ų | 83 | 42% | 0.418 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 132.7 | 166.9 | -177.5 | 0 | 0 | 0 | 0 | 108 | T221 P233 | T221-V236 HydrophobicContact CG2-CG1 3.64Å; P233-V236 HydrophobicContact CB-CG2 3.83Å; P233-V236 HydrophobicContact CG-CG2 3.35Å |
| 237 | I | 96.1 | Very high | 93.3 | Very high | 3 Ų | 3 | 82.1 Ų | 82.1 | 2% | 0.015 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 105.9 | 176.6 | -57 | 167.3 | 0 | 0 | 0 | 107 | T221 I222 Y224 R235 L239 V242 T264 F269 | T221-I237 CarbonylContact C-O 3.45Å; T221-I237 WeakPolarHBondContact CA-O 3.49Å; I222-I237 HydrophobicContact CB-CB 4.29Å; I222-I237 PolarHBondContact N-O 2.74Å; I222-I237 WeakPolarHBondContact O-CB 3.11Å; I222-I237 PolarHBondContact O-N 3.09Å; Y224-I237 HydrophobicContact CE1-CD1 4.47Å; R235-I237 HydrophobicContact CG-CG1 4.3Å; I237-L239 PolarHBondContact O-N 3.42Å; I237-V242 HydrophobicContact CG2-CG2 4.03Å; I237-T264 HydrophobicContact CG2-CG2 3.69Å; I237-F269 HydrophobicContact CD1-CD1 4.13Å; I237-F269 HydrophobicContact CD1-CD2 3.89Å; I237-F269 HydrophobicContact CD1-CE1 3.84Å; I237-F269 HydrophobicContact CD1-CE2 3.59Å; I237-F269 HydrophobicContact CD1-CG 4.15Å; I237-F269 HydrophobicContact CD1-CZ 3.55Å; I237-F269 HydrophobicContact CG1-CE2 4.15Å; I237-F269 HydrophobicContact CG1-CZ 3.97Å |
| 238 | P | 95.3 | Very high | 93.6 | Very high | 31 Ų | 31 | 80.7 Ų | 80.7 | 20% | 0.201 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 132.5 | 176.2 | -23.1 | 34.9 | 0 | 0 | 0 | 111.1 | K240 E241 | P238-K240 HydrophobicContact CB-CD 4.35Å; P238-K240 HydrophobicContact CB-CG 3.7Å; P238-K240 PolarHBondContact O-N 2.81Å; P238-K240 VanDerWaalsContact O-N 3.16Å; P238-E241 HydrophobicContact CB-CG 4.26Å; P238-E241 HydrophobicContact CG-CG 4.48Å; P238-E241 WeakPolarHBondContact O-CB 3.43Å; P238-E241 PolarHBondContact O-N 3.2Å |
| 239 | L | 95 | Very high | 93.7 | Very high | 2 Ų | 2 | 83.1 Ų | 83.1 | 1% | 0.01 | 39% | 0.394 | C | S | . | . | G | 310 helix | trans | -61.6 | -27 | 180 | -69.9 | 179.6 | 0 | 0 | 0 | 112.7 | L217 N220 I222 I237 E241 V242 I286 A289 I290 | L217-L239 HydrophobicContact CD1-CD1 4.14Å; L217-L239 HydrophobicContact CD1-CD2 4.01Å; N220-L239 WeakPolarHBondContact O-CB 3.25Å; N220-L239 WeakPolarHBondContact O-CG 3.18Å; N220-L239 PolarHBondContact O-N 2.83Å; I222-L239 HydrophobicContact CD1-CD2 3.65Å; I222-L239 HydrophobicContact CG1-CD2 3.66Å; I237-L239 PolarHBondContact O-N 3.42Å; L239-E241 PolarHBondContact O-N 2.76Å; L239-V242 HydrophobicContact CD2-CG2 4.33Å; L239-V242 WeakPolarHBondContact O-CB 3.18Å; L239-V242 PolarHBondContact O-N 2.78Å; L239-I286 HydrophobicContact CD2-CG2 4.33Å; L239-A289 HydrophobicContact CD1-CB 3.53Å; L239-I290 HydrophobicContact CB-CG1 4.21Å; L239-I290 HydrophobicContact CD2-CG1 4.09Å |
| 240 | K | 93.3 | Very high | 93.7 | Very high | 166 Ų | 166 | 79.4 Ų | 79.4 | 72% | 0.722 | 37% | 0.373 | S | S | * | . | G | 310 helix | trans | -59 | -26 | 171.7 | 63.7 | 175.8 | -177.5 | 178.9 | 0 | 114 | P238 | P238-K240 HydrophobicContact CB-CD 4.35Å; P238-K240 HydrophobicContact CB-CG 3.7Å; P238-K240 PolarHBondContact O-N 2.81Å; P238-K240 VanDerWaalsContact O-N 3.16Å |
| 241 | E | 94.8 | Very high | 93.7 | Very high | 70 Ų | 70 | 76.1 Ų | 76.1 | 33% | 0.327 | 36% | 0.359 | S | S | . | . | G | 310 helix | trans | -88.7 | -10.6 | 177.8 | -64.8 | 176.5 | -163.5 | 0 | 0 | 112.3 | P238 L239 H243 T264 T265 | P238-E241 HydrophobicContact CB-CG 4.26Å; P238-E241 HydrophobicContact CG-CG 4.48Å; P238-E241 WeakPolarHBondContact O-CB 3.43Å; P238-E241 PolarHBondContact O-N 3.2Å; L239-E241 PolarHBondContact O-N 2.76Å; E241-H243 PolarHBondContact O-N 2.92Å; E241-T264 CarbonylContact O-C 3.56Å; E241-T264 WeakPolarHBondContact O-CA 3.42Å; E241-T264 WeakPolarHBondContact O-CB 3.43Å; E241-T265 PolarHBondContact O-N 2.88Å; E241-T265 VanDerWaalsContact O-N 3.13Å; E241-T265 PolarHBondContact O-OG1 2.84Å |
| 242 | V | 96.3 | Very high | 93.5 | Very high | 2 Ų | 2 | 70.6 Ų | 70.6 | 1% | 0.012 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 112.4 | 179.8 | -176.4 | 0 | 0 | 0 | 0 | 109 | I222 I237 L239 I262 T264 I290 | I222-V242 HydrophobicContact CD1-CG2 4.49Å; I237-V242 HydrophobicContact CG2-CG2 4.03Å; L239-V242 HydrophobicContact CD2-CG2 4.33Å; L239-V242 WeakPolarHBondContact O-CB 3.18Å; L239-V242 PolarHBondContact O-N 2.78Å; V242-I262 HydrophobicContact CG1-CG2 3.75Å; V242-I262 HydrophobicContact CG2-CG2 4.01Å; V242-T264 HydrophobicContact CG2-CG2 4.28Å; V242-I290 HydrophobicContact CB-CD1 3.87Å; V242-I290 HydrophobicContact CG1-CD1 3.61Å |
| 243 | H | 94.7 | Very high | 93.2 | Very high | 118 Ų | 118 | 69.6 Ų | 69.6 | 55% | 0.546 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | -34.3 | 176.7 | -64.8 | -46.9 | 0 | 0 | 0 | 112 | E241 V263 T265 | E241-H243 PolarHBondContact O-N 2.92Å; H243-V263 PolarHBondContact N-O 3.05Å; H243-T265 PolarHBondContact CD2-N 2.91Å; H243-T265 PolarHBondContact CE1-OG1 3.3Å; H243-T265 WeakPolarHBondContact NE2-CA 3.4Å; H243-T265 PolarHBondContact NE2-OG1 3.35Å |
| 244 | K | 94.1 | Very high | 92.8 | Very high | 99 Ų | 99 | 69 Ų | 69 | 43% | 0.43 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 144 | -174.4 | -160.3 | 179.6 | -168.9 | -169.6 | 0 | 111.3 | Q246 V263 | K244-Q246 HydrophobicContact CD-CG 4.27Å; K244-Q246 HydrophobicContact CG-CG 4.43Å; K244-V263 HydrophobicContact CB-CB 3.98Å; K244-V263 HydrophobicContact CB-CG2 4.13Å; K244-V263 PolarHBondContact N-O 2.75Å; K244-V263 PolarHBondContact O-N 2.91Å |
| 245 | V | 97.2 | Very high | 92.6 | Very high | 17 Ų | 17 | 66.9 Ų | 66.9 | 10% | 0.103 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 128 | 164.9 | 91.6 | 0 | 0 | 0 | 0 | 108.5 | F260 E261 I262 I283 I286 S287 | V245-F260 HydrophobicContact CG2-CD2 4.25Å; V245-E261 WeakPolarHBondContact CA-O 3.3Å; V245-E261 WeakPolarHBondContact CG2-O 3.37Å; V245-I262 HydrophobicContact CG2-CB 4.32Å; V245-I262 HydrophobicContact CG2-CG1 3.83Å; V245-I262 HydrophobicContact CG2-CG2 4.41Å; V245-I283 HydrophobicContact CG1-CG2 4.07Å; V245-I283 WeakPolarHBondContact CG1-O 3.45Å; V245-I286 HydrophobicContact CB-CG2 4.05Å; V245-I286 HydrophobicContact CG1-CB 4.17Å; V245-I286 HydrophobicContact CG1-CG2 4.01Å; V245-I286 HydrophobicContact CG2-CB 4.37Å; V245-I286 HydrophobicContact CG2-CD1 4.06Å; V245-I286 HydrophobicContact CG2-CG2 4.02Å; V245-S287 WeakPolarHBondContact CG1-OG 3.4Å |
| 246 | Q | 96.9 | Very high | 92.4 | Very high | 43 Ų | 43 | 62.3 Ų | 62.3 | 20% | 0.201 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.3 | 167.4 | -175.9 | 62.6 | 169.6 | 16.4 | 0 | 0 | 112.2 | K244 F260 E261 | K244-Q246 HydrophobicContact CD-CG 4.27Å; K244-Q246 HydrophobicContact CG-CG 4.43Å; Q246-F260 CarbonylContact O-C 3.56Å; Q246-F260 VanDerWaalsContact O-CA 3.32Å; Q246-F260 WeakPolarHBondContact O-CA 3.48Å; Q246-F260 WeakPolarHBondContact O-CB 3.26Å; Q246-E261 HydrophobicContact CG-CG 3.81Å; Q246-E261 PolarHBondContact N-O 3.16Å; Q246-E261 VanDerWaalsContact N-O 3.14Å; Q246-E261 PolarHBondContact NE2-OE1 3.43Å; Q246-E261 PolarHBondContact O-N 3.24Å |
| 247 | E | 96.8 | Very high | 92.2 | Very high | 107 Ų | 107 | 60.4 Ų | 60.4 | 50% | 0.5 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.3 | 137.4 | 167.3 | -170.8 | 176.1 | -177.6 | 0 | 0 | 110.7 | K249 M279 I283 | E247-K249 PolarHBondContact O-N 2.79Å; E247-M279 HydrophobicContact CG-CE 4.01Å; E247-M279 HydrophobicContact CG-SD 4.15Å; E247-I283 HydrophobicContact CB-CD1 4.5Å |
| 248 | C | 94.6 | Very high | 92.1 | Very high | 2 Ų | 2 | 61.7 Ų | 61.7 | 1% | 0.014 | 30% | 0.296 | C | S | . | . | trans | -79.2 | 117.9 | -176.7 | -176.7 | 0 | 0 | 0 | 0 | 110.5 | Q250 S251 L259 Y270 | C248-Q250 PolarHBondContact O-N 2.97Å; C248-Q250 PolarHBondContact SG-N 3.24Å; C248-Q250 VanDerWaalsContact SG-N 3.44Å; C248-S251 WeakPolarHBondContact O-CB 3.4Å; C248-S251 PolarHBondContact O-N 2.89Å; C248-S251 PolarHBondContact O-OG 3.36Å; C248-L259 HydrophobicContact CB-CB 4.11Å; C248-L259 HydrophobicContact CB-CD2 3.72Å; C248-L259 HydrophobicContact CB-CG 3.68Å; C248-L259 VanDerWaalsContact CB-O 3.27Å; C248-L259 WeakPolarHBondContact CB-O 3.27Å; C248-L259 PolarHBondContact N-O 2.89Å; C248-Y270 VanDerWaalsContact SG-CE1 3.57Å | ||
| 249 | K | 89.9 | Confident | 92.1 | Very high | 164 Ų | 164 | 60.3 Ų | 60.3 | 71% | 0.713 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -17.8 | 176.8 | -62.9 | -174.7 | 177.6 | -173.7 | 0 | 113 | E247 S251 | E247-K249 PolarHBondContact O-N 2.79Å; K249-S251 VanDerWaalsContact C-N 3.33Å |
| 250 | Q | 88.3 | Confident | 92.3 | Very high | 82 Ų | 82 | 60.3 Ų | 60.3 | 38% | 0.383 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | 11.5 | -178.7 | -71.2 | 73.1 | 9.1 | 0 | 0 | 112.2 | C248 D252 I253 M254 | C248-Q250 PolarHBondContact O-N 2.97Å; C248-Q250 PolarHBondContact SG-N 3.24Å; C248-Q250 VanDerWaalsContact SG-N 3.44Å; Q250-D252 PolarHBondContact O-N 3.42Å; Q250-I253 HydrophobicContact CG-CD1 4.35Å; Q250-I253 PolarHBondContact O-N 2.73Å; Q250-I253 VanDerWaalsContact O-N 3.16Å; Q250-M254 VanDerWaalsContact O-CG 3.32Å; Q250-M254 WeakPolarHBondContact O-CG 3.27Å; Q250-M254 PolarHBondContact O-N 2.65Å |
| 251 | S | 87.4 | Confident | 92.4 | Very high | 16 Ų | 16 | 53.2 Ų | 53.2 | 11% | 0.112 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | -40.6 | 177.7 | 53.5 | 0 | 0 | 0 | 0 | 113 | C248 K249 M254 M255 R256 | C248-S251 WeakPolarHBondContact O-CB 3.4Å; C248-S251 PolarHBondContact O-N 2.89Å; C248-S251 PolarHBondContact O-OG 3.36Å; K249-S251 VanDerWaalsContact C-N 3.33Å; S251-M254 CarbonylContact O-C 3.54Å; S251-M254 PolarHBondContact O-N 3.09Å; S251-M255 PolarHBondContact O-N 3.3Å; S251-R256 VanDerWaalsContact CB-O 3.28Å; S251-R256 WeakPolarHBondContact CB-O 3.39Å; S251-R256 PolarHBondContact O-N 2.95Å |
| 252 | D | 83.1 | Confident | 92.6 | Very high | 85 Ų | 85 | 49.9 Ų | 49.9 | 46% | 0.455 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -45 | 177.8 | -63.4 | -23.9 | 0 | 0 | 0 | 112.3 | K24 Q250 M254 M255 | K24-D252 VanDerWaalsContact CD-OD1 3.32Å; K24-D252 WeakPolarHBondContact CD-OD1 3.48Å; K24-D252 WeakPolarHBondContact CE-OD1 3.3Å; K24-D252 IonicContact NZ-OD1 3.15Å; K24-D252 PolarHBondContact NZ-OD1 2.87Å; Q250-D252 PolarHBondContact O-N 3.42Å; D252-M254 PolarHBondContact O-N 3.27Å; D252-M255 PolarHBondContact O-N 3.09Å; D252-M255 VanDerWaalsContact O-N 3.1Å |
| 253 | I | 85.6 | Confident | 92.6 | Very high | 142 Ų | 142 | 51.5 Ų | 51.5 | 73% | 0.728 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -34.8 | 178.2 | -61.2 | 173.4 | 0 | 0 | 0 | 110.6 | Q250 M255 | Q250-I253 HydrophobicContact CG-CD1 4.35Å; Q250-I253 PolarHBondContact O-N 2.73Å; Q250-I253 VanDerWaalsContact O-N 3.16Å; I253-M255 VanDerWaalsContact C-N 3.3Å |
| 254 | M | 86.6 | Confident | 92.7 | Very high | 39 Ų | 39 | 46.3 Ų | 46.3 | 19% | 0.192 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -1.5 | 179.2 | -60.7 | -177.3 | 94.7 | 0 | 0 | 113.3 | Q203 W210 Q250 S251 D252 R256 L259 Y270 | Q203-M254 VanDerWaalsContact CD-CE 3.48Å; Q203-M254 VanDerWaalsContact OE1-CE 3.26Å; W210-M254 HydrophobicContact CH2-CE 3.81Å; W210-M254 HydrophobicContact CH2-SD 4.37Å; W210-M254 HydrophobicContact CZ2-CB 4.44Å; W210-M254 HydrophobicContact CZ2-CE 3.42Å; W210-M254 VanDerWaalsContact CZ2-CE 3.42Å; W210-M254 HydrophobicContact CZ2-SD 4.27Å; Q250-M254 VanDerWaalsContact O-CG 3.32Å; Q250-M254 WeakPolarHBondContact O-CG 3.27Å; Q250-M254 PolarHBondContact O-N 2.65Å; S251-M254 CarbonylContact O-C 3.54Å; S251-M254 PolarHBondContact O-N 3.09Å; D252-M254 PolarHBondContact O-N 3.27Å; M254-R256 WeakPolarHBondContact O-CG 3.49Å; M254-R256 PolarHBondContact O-N 2.69Å; M254-L259 HydrophobicContact CB-CD2 4.37Å; M254-L259 HydrophobicContact SD-CD2 3.7Å; M254-Y270 HydrophobicContact CE-CD2 4.12Å; M254-Y270 HydrophobicContact CE-CG 4.07Å; M254-Y270 HydrophobicContact SD-CD1 4.11Å; M254-Y270 HydrophobicContact SD-CE1 4.45Å; M254-Y270 HydrophobicContact SD-CG 4.2Å |
| 255 | M | 89.3 | Confident | 92.6 | Very high | 47 Ų | 47 | 46.3 Ų | 46.3 | 23% | 0.232 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.7 | 38.7 | -176.9 | -53.7 | -62.9 | -168.5 | 0 | 0 | 112.7 | F25 R27 S251 D252 I253 | F25-M255 HydrophobicContact CB-CE 4.1Å; F25-M255 HydrophobicContact CB-SD 3.69Å; R27-M255 HydrophobicContact CB-CB 4.04Å; R27-M255 WeakPolarHBondContact CB-O 3.42Å; R27-M255 PolarHBondContact N-O 2.79Å; S251-M255 PolarHBondContact O-N 3.3Å; D252-M255 PolarHBondContact O-N 3.09Å; D252-M255 VanDerWaalsContact O-N 3.1Å; I253-M255 VanDerWaalsContact C-N 3.3Å |
| 256 | R | 90.6 | Very high | 92.3 | Very high | 4 Ų | 4 | 50.1 Ų | 50.1 | 2% | 0.015 | 26% | 0.263 | C | S | . | . | trans | -130.8 | 128.9 | -179.2 | -69.3 | -140.1 | 177.6 | -145.1 | -1.4 | 111.2 | D44 W210 S251 M254 | D44-R256 IonicContact OD2-CZ 3.6Å; D44-R256 IonicContact OD2-NH1 3.24Å; D44-R256 PolarHBondContact OD2-NH1 3.03Å; D44-R256 IonicContact OD2-NH2 2.93Å; D44-R256 PolarHBondContact OD2-NH2 2.82Å; W210-R256 HydrophobicContact CZ2-CG 4.23Å; S251-R256 VanDerWaalsContact CB-O 3.28Å; S251-R256 WeakPolarHBondContact CB-O 3.39Å; S251-R256 PolarHBondContact O-N 2.95Å; M254-R256 WeakPolarHBondContact O-CG 3.49Å; M254-R256 PolarHBondContact O-N 2.69Å | ||
| 257 | D | 91.4 | Very high | 92.2 | Very high | 30 Ų | 30 | 50.2 Ų | 50.2 | 16% | 0.16 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -81.7 | 166.4 | 172 | 54.7 | -22.6 | 0 | 0 | 0 | 111.9 | L26 R28 L259 Q272 | L26-D257 HydrophobicContact CD1-CB 4.21Å; L26-D257 HydrophobicContact CD2-CB 3.98Å; R28-D257 IonicContact CZ-OD1 2.76Å; R28-D257 IonicContact CZ-OD2 2.76Å; R28-D257 IonicContact NH1-OD1 3.09Å; R28-D257 PolarHBondContact NH1-OD1 3.37Å; R28-D257 IonicContact NH1-OD2 3.79Å; R28-D257 VanDerWaalsContact NH2-CG 3.32Å; R28-D257 IonicContact NH2-OD1 3.56Å; R28-D257 PolarHBondContact NH2-OD1 3.12Å; R28-D257 IonicContact NH2-OD2 3.61Å; R28-D257 PolarHBondContact NH2-OD2 3.25Å; D257-L259 PolarHBondContact O-N 3.34Å; D257-L259 VanDerWaalsContact O-N 3.08Å; D257-Q272 VanDerWaalsContact O-CG 3.32Å; D257-Q272 WeakPolarHBondContact O-CG 3.23Å; D257-Q272 PolarHBondContact O-NE2 3.07Å; D257-Q272 PolarHBondContact OD1-NE2 3.17Å |
| 258 | N | 93.4 | Very high | 92.1 | Very high | 29 Ų | 29 | 47 Ų | 47 | 16% | 0.155 | 25% | 0.249 | C | C | . | . | S | Bend | trans | 51.5 | 35.6 | 176.7 | -49.7 | -34.7 | 0 | 0 | 0 | 113 | Q272 A273 P276 M279 | N258-Q272 WeakPolarHBondContact O-CA 3.3Å; N258-A273 HydrophobicContact CB-CB 4.47Å; N258-A273 VanDerWaalsContact CB-O 3.31Å; N258-A273 WeakPolarHBondContact CB-O 3.49Å; N258-A273 PolarHBondContact O-N 2.86Å; N258-P276 WeakPolarHBondContact OD1-CA 3.35Å; N258-P276 WeakPolarHBondContact OD1-CD 3.44Å; N258-M279 HydrophobicContact CB-CB 4.39Å |
| 259 | L | 95.9 | Very high | 92.2 | Very high | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.01 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 124.1 | -172.3 | -172 | 72.1 | 0 | 0 | 0 | 110.8 | W210 C248 M254 D257 V271 Q272 M279 | W210-L259 HydrophobicContact CH2-CD1 3.47Å; W210-L259 VanDerWaalsContact CH2-CD1 3.47Å; W210-L259 HydrophobicContact CH2-CD2 4.27Å; W210-L259 HydrophobicContact CZ3-CD1 3.66Å; C248-L259 HydrophobicContact CB-CB 4.11Å; C248-L259 HydrophobicContact CB-CD2 3.72Å; C248-L259 HydrophobicContact CB-CG 3.68Å; C248-L259 VanDerWaalsContact CB-O 3.27Å; C248-L259 WeakPolarHBondContact CB-O 3.27Å; C248-L259 PolarHBondContact N-O 2.89Å; M254-L259 HydrophobicContact CB-CD2 4.37Å; M254-L259 HydrophobicContact SD-CD2 3.7Å; D257-L259 PolarHBondContact O-N 3.34Å; D257-L259 VanDerWaalsContact O-N 3.08Å; L259-V271 WeakPolarHBondContact CD1-O 3.42Å; L259-Q272 HydrophobicContact CD1-CB 4Å; L259-M279 PolarHBondContact N-SD 2.99Å |
| 260 | F | 97.5 | Very high | 92.5 | Very high | 2 Ų | 2 | 41.9 Ų | 41.9 | 1% | 0.009 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 160.1 | 171.7 | 70.8 | -83.6 | 0 | 0 | 0 | 111 | V245 Q246 I262 V271 A273 M279 W282 I283 I286 | V245-F260 HydrophobicContact CG2-CD2 4.25Å; Q246-F260 CarbonylContact O-C 3.56Å; Q246-F260 VanDerWaalsContact O-CA 3.32Å; Q246-F260 WeakPolarHBondContact O-CA 3.48Å; Q246-F260 WeakPolarHBondContact O-CB 3.26Å; F260-I262 HydrophobicContact CD2-CG1 4.2Å; F260-I262 HydrophobicContact CE2-CD1 4.07Å; F260-I262 HydrophobicContact CE2-CG1 3.89Å; F260-V271 HydrophobicContact CD1-CB 4.14Å; F260-V271 HydrophobicContact CD1-CG1 4.41Å; F260-V271 WeakPolarHBondContact CD1-O 3.29Å; F260-V271 HydrophobicContact CD2-CB 4.39Å; F260-V271 HydrophobicContact CE1-CB 3.65Å; F260-V271 HydrophobicContact CE1-CG1 3.52Å; F260-V271 HydrophobicContact CE2-CB 3.93Å; F260-V271 HydrophobicContact CE2-CG1 4.32Å; F260-V271 HydrophobicContact CE2-CG2 4.37Å; F260-V271 HydrophobicContact CG-CB 4.5Å; F260-V271 HydrophobicContact CZ-CB 3.55Å; F260-V271 HydrophobicContact CZ-CG1 3.47Å; F260-V271 VanDerWaalsContact CZ-CG1 3.47Å; F260-V271 HydrophobicContact CZ-CG2 4.29Å; F260-V271 PolarHBondContact N-O 3.24Å; F260-V271 PolarHBondContact O-N 2.85Å; F260-A273 HydrophobicContact CE1-CB 4.45Å; F260-M279 HydrophobicContact CB-CG 3.99Å; F260-M279 HydrophobicContact CB-SD 4.46Å; F260-M279 HydrophobicContact CD1-CG 3.93Å; F260-M279 HydrophobicContact CG-CG 4.36Å; F260-W282 HydrophobicContact CE1-CB 4.12Å; F260-W282 HydrophobicContact CE1-CG 4.41Å; F260-W282 HydrophobicContact CE2-CB 4.39Å; F260-W282 HydrophobicContact CZ-CB 3.86Å; F260-W282 HydrophobicContact CZ-CG 4.17Å; F260-I283 HydrophobicContact CB-CD1 3.77Å; F260-I283 HydrophobicContact CB-CG1 3.86Å; F260-I283 HydrophobicContact CD2-CG1 4.27Å; F260-I283 HydrophobicContact CG-CG1 4.16Å; F260-I286 HydrophobicContact CE2-CD1 4.16Å |
| 261 | E | 97.3 | Very high | 92.9 | Very high | 17 Ų | 17 | 38 Ų | 38 | 8% | 0.079 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 138.7 | 178.4 | 62.9 | 178.6 | -167 | 0 | 0 | 111.8 | V245 Q246 V263 T268 F269 Y270 | V245-E261 WeakPolarHBondContact CA-O 3.3Å; V245-E261 WeakPolarHBondContact CG2-O 3.37Å; Q246-E261 HydrophobicContact CG-CG 3.81Å; Q246-E261 PolarHBondContact N-O 3.16Å; Q246-E261 VanDerWaalsContact N-O 3.14Å; Q246-E261 PolarHBondContact NE2-OE1 3.43Å; Q246-E261 PolarHBondContact O-N 3.24Å; E261-V263 HydrophobicContact CG-CG2 4.38Å; E261-T268 HydrophobicContact CB-CG2 3.79Å; E261-F269 CarbonylContact C-O 3.56Å; E261-F269 VanDerWaalsContact CA-O 3.27Å; E261-F269 WeakPolarHBondContact CA-O 3.38Å; E261-Y270 HydrophobicContact CB-CD1 3.97Å; E261-Y270 HydrophobicContact CB-CE1 3.99Å; E261-Y270 VanDerWaalsContact OE2-CE1 3.32Å; E261-Y270 WeakPolarHBondContact OE2-CE1 3.4Å |
| 262 | I | 97.4 | Very high | 93.2 | Very high | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 106.4 | 171.3 | -45 | 173.2 | 0 | 0 | 0 | 106.6 | I222 V242 V245 F260 T264 T268 F269 V271 I286 | I222-I262 HydrophobicContact CD1-CD1 4.25Å; I222-I262 HydrophobicContact CD1-CG2 4.49Å; V242-I262 HydrophobicContact CG1-CG2 3.75Å; V242-I262 HydrophobicContact CG2-CG2 4.01Å; V245-I262 HydrophobicContact CG2-CB 4.32Å; V245-I262 HydrophobicContact CG2-CG1 3.83Å; V245-I262 HydrophobicContact CG2-CG2 4.41Å; F260-I262 HydrophobicContact CD2-CG1 4.2Å; F260-I262 HydrophobicContact CE2-CD1 4.07Å; F260-I262 HydrophobicContact CE2-CG1 3.89Å; I262-T264 HydrophobicContact CG2-CG2 4.35Å; I262-T268 CarbonylContact O-C 3.59Å; I262-T268 WeakPolarHBondContact O-CA 3.47Å; I262-F269 HydrophobicContact CB-CB 4.19Å; I262-F269 PolarHBondContact N-O 2.95Å; I262-F269 PolarHBondContact O-N 3.03Å; I262-V271 HydrophobicContact CD1-CG2 4.32Å; I262-I286 HydrophobicContact CD1-CD1 4.21Å |
| 263 | V | 96.6 | Very high | 93.7 | Very high | 36 Ų | 36 | 33.2 Ų | 33.2 | 22% | 0.218 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 112.3 | 180 | -174.7 | 0 | 0 | 0 | 0 | 108.3 | H243 K244 E261 T268 | H243-V263 PolarHBondContact N-O 3.05Å; K244-V263 HydrophobicContact CB-CB 3.98Å; K244-V263 HydrophobicContact CB-CG2 4.13Å; K244-V263 PolarHBondContact N-O 2.75Å; K244-V263 PolarHBondContact O-N 2.91Å; E261-V263 HydrophobicContact CG-CG2 4.38Å; V263-T268 HydrophobicContact CG2-CG2 4.11Å |
| 264 | T | 96.1 | Very high | 93.9 | Very high | 8 Ų | 8 | 29.5 Ų | 29.5 | 5% | 0.049 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 171.9 | 172.7 | 79.3 | 0 | 0 | 0 | 0 | 111.4 | I237 E241 V242 I262 S266 R267 F269 | I237-T264 HydrophobicContact CG2-CG2 3.69Å; E241-T264 CarbonylContact O-C 3.56Å; E241-T264 WeakPolarHBondContact O-CA 3.42Å; E241-T264 WeakPolarHBondContact O-CB 3.43Å; V242-T264 HydrophobicContact CG2-CG2 4.28Å; I262-T264 HydrophobicContact CG2-CG2 4.35Å; T264-S266 PolarHBondContact O-N 3.41Å; T264-S266 PolarHBondContact OG1-N 2.85Å; T264-R267 PolarHBondContact N-O 3.06Å; T264-R267 PolarHBondContact OG1-N 3.27Å; T264-R267 PolarHBondContact OG1-O 2.9Å; T264-F269 HydrophobicContact CG2-CD2 4.01Å; T264-F269 HydrophobicContact CG2-CE2 3.78Å |
| 265 | T | 93.6 | Very high | 94.1 | Very high | 99 Ų | 99 | 29.3 Ų | 29.3 | 61% | 0.607 | 17% | 0.165 | S | C | * | . | S | Bend | trans | -55.8 | -36.4 | 176.8 | -45.4 | 0 | 0 | 0 | 0 | 113 | E241 H243 | E241-T265 PolarHBondContact O-N 2.88Å; E241-T265 VanDerWaalsContact O-N 3.13Å; E241-T265 PolarHBondContact O-OG1 2.84Å; H243-T265 PolarHBondContact CD2-N 2.91Å; H243-T265 PolarHBondContact CE1-OG1 3.3Å; H243-T265 WeakPolarHBondContact NE2-CA 3.4Å; H243-T265 PolarHBondContact NE2-OG1 3.35Å |
| 266 | S | 90.8 | Very high | 94.4 | Very high | 97 Ų | 97 | 29.6 Ų | 29.6 | 68% | 0.678 | 17% | 0.17 | S | C | * | . | S | Bend | trans | -100.8 | -23.9 | -174.1 | 57 | 0 | 0 | 0 | 0 | 113.8 | T264 | T264-S266 PolarHBondContact O-N 3.41Å; T264-S266 PolarHBondContact OG1-N 2.85Å |
| 267 | R | 93.6 | Very high | 94.6 | Very high | 45 Ų | 45 | 35.7 Ų | 35.7 | 17% | 0.17 | 20% | 0.199 | C | C | . | . | trans | -164.9 | 148 | -172.2 | 176.7 | 171.5 | 176.2 | -154.6 | -2.3 | 113.3 | Q203 G204 A205 T264 F269 | Q203-R267 PolarHBondContact O-NH2 3.17Å; G204-R267 VanDerWaalsContact C-NH2 3.35Å; G204-R267 PolarHBondContact O-NH2 3.39Å; A205-R267 VanDerWaalsContact CA-CZ 3.42Å; A205-R267 VanDerWaalsContact CA-NH1 3.28Å; T264-R267 PolarHBondContact N-O 3.06Å; T264-R267 PolarHBondContact OG1-N 3.27Å; T264-R267 PolarHBondContact OG1-O 2.9Å; R267-F269 HydrophobicContact CB-CE2 4.42Å | ||
| 268 | T | 95.3 | Very high | 94.8 | Very high | 41 Ų | 41 | 36.1 Ų | 36.1 | 25% | 0.252 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 128.5 | 162.4 | -52.7 | 0 | 0 | 0 | 0 | 111.9 | E261 I262 V263 Y270 | E261-T268 HydrophobicContact CB-CG2 3.79Å; I262-T268 CarbonylContact O-C 3.59Å; I262-T268 WeakPolarHBondContact O-CA 3.47Å; V263-T268 HydrophobicContact CG2-CG2 4.11Å; T268-Y270 HydrophobicContact CG2-CE1 4.06Å; T268-Y270 HydrophobicContact CG2-CE2 4.11Å |
| 269 | F | 96.3 | Very high | 94.9 | Very high | 5 Ų | 5 | 34.9 Ų | 34.9 | 2% | 0.022 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 117.7 | 172 | -61.9 | -97.7 | 0 | 0 | 0 | 109.8 | Y224 I237 E261 I262 T264 R267 V271 | Y224-F269 HydrophobicContact CE1-CE1 4.21Å; I237-F269 HydrophobicContact CD1-CD1 4.13Å; I237-F269 HydrophobicContact CD1-CD2 3.89Å; I237-F269 HydrophobicContact CD1-CE1 3.84Å; I237-F269 HydrophobicContact CD1-CE2 3.59Å; I237-F269 HydrophobicContact CD1-CG 4.15Å; I237-F269 HydrophobicContact CD1-CZ 3.55Å; I237-F269 HydrophobicContact CG1-CE2 4.15Å; I237-F269 HydrophobicContact CG1-CZ 3.97Å; E261-F269 CarbonylContact C-O 3.56Å; E261-F269 VanDerWaalsContact CA-O 3.27Å; E261-F269 WeakPolarHBondContact CA-O 3.38Å; I262-F269 HydrophobicContact CB-CB 4.19Å; I262-F269 PolarHBondContact N-O 2.95Å; I262-F269 PolarHBondContact O-N 3.03Å; T264-F269 HydrophobicContact CG2-CD2 4.01Å; T264-F269 HydrophobicContact CG2-CE2 3.78Å; R267-F269 HydrophobicContact CB-CE2 4.42Å; F269-V271 HydrophobicContact CB-CG2 4.4Å |
| 270 | Y | 96.4 | Very high | 95 | Very high | 53 Ų | 53 | 39.5 Ų | 39.5 | 21% | 0.208 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 125.2 | 170 | -61.4 | -75.9 | 0 | 0 | 0 | 109.8 | K202 Q203 C248 M254 E261 T268 | K202-Y270 WeakPolarHBondContact CA-O 3.48Å; Q203-Y270 PolarHBondContact N-O 2.84Å; C248-Y270 VanDerWaalsContact SG-CE1 3.57Å; M254-Y270 HydrophobicContact CE-CD2 4.12Å; M254-Y270 HydrophobicContact CE-CG 4.07Å; M254-Y270 HydrophobicContact SD-CD1 4.11Å; M254-Y270 HydrophobicContact SD-CE1 4.45Å; M254-Y270 HydrophobicContact SD-CG 4.2Å; E261-Y270 HydrophobicContact CB-CD1 3.97Å; E261-Y270 HydrophobicContact CB-CE1 3.99Å; E261-Y270 VanDerWaalsContact OE2-CE1 3.32Å; E261-Y270 WeakPolarHBondContact OE2-CE1 3.4Å; T268-Y270 HydrophobicContact CG2-CE1 4.06Å; T268-Y270 HydrophobicContact CG2-CE2 4.11Å |
| 271 | V | 96.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 122.4 | -174 | -173.5 | 0 | 0 | 0 | 0 | 109 | C200 V201 K202 F215 L259 F260 I262 F269 | C200-V271 HydrophobicContact CB-CG1 3.36Å; V201-V271 CarbonylContact O-C 3.54Å; V201-V271 WeakPolarHBondContact O-CA 3.38Å; K202-V271 HydrophobicContact CB-CG2 4.26Å; F215-V271 HydrophobicContact CE1-CG2 4.29Å; F215-V271 HydrophobicContact CE2-CG1 4.19Å; F215-V271 HydrophobicContact CZ-CG1 4.1Å; F215-V271 HydrophobicContact CZ-CG2 3.98Å; L259-V271 WeakPolarHBondContact CD1-O 3.42Å; F260-V271 HydrophobicContact CD1-CB 4.14Å; F260-V271 HydrophobicContact CD1-CG1 4.41Å; F260-V271 WeakPolarHBondContact CD1-O 3.29Å; F260-V271 HydrophobicContact CD2-CB 4.39Å; F260-V271 HydrophobicContact CE1-CB 3.65Å; F260-V271 HydrophobicContact CE1-CG1 3.52Å; F260-V271 HydrophobicContact CE2-CB 3.93Å; F260-V271 HydrophobicContact CE2-CG1 4.32Å; F260-V271 HydrophobicContact CE2-CG2 4.37Å; F260-V271 HydrophobicContact CG-CB 4.5Å; F260-V271 HydrophobicContact CZ-CB 3.55Å; F260-V271 HydrophobicContact CZ-CG1 3.47Å; F260-V271 VanDerWaalsContact CZ-CG1 3.47Å; F260-V271 HydrophobicContact CZ-CG2 4.29Å; F260-V271 PolarHBondContact N-O 3.24Å; F260-V271 PolarHBondContact O-N 2.85Å; I262-V271 HydrophobicContact CD1-CG2 4.32Å; F269-V271 HydrophobicContact CB-CG2 4.4Å |
| 272 | Q | 94.6 | Very high | 95.1 | Very high | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 125.8 | 173.7 | 169.5 | 174.6 | 64.6 | 0 | 0 | 109.2 | M43 C200 V201 D257 N258 L259 | M43-Q272 HydrophobicContact CE-CG 3.98Å; C200-Q272 WeakPolarHBondContact CB-O 3.18Å; V201-Q272 HydrophobicContact CB-CB 4.33Å; V201-Q272 PolarHBondContact N-O 2.79Å; V201-Q272 PolarHBondContact O-N 3.4Å; D257-Q272 VanDerWaalsContact O-CG 3.32Å; D257-Q272 WeakPolarHBondContact O-CG 3.23Å; D257-Q272 PolarHBondContact O-NE2 3.07Å; D257-Q272 PolarHBondContact OD1-NE2 3.17Å; N258-Q272 WeakPolarHBondContact O-CA 3.3Å; L259-Q272 HydrophobicContact CD1-CB 4Å |
| 273 | A | 94.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 24% | 0.235 | C | C | . | . | trans | -89.5 | 164.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | M43 N258 F260 S275 D278 M279 | M43-A273 WeakPolarHBondContact CE-O 3.34Å; N258-A273 HydrophobicContact CB-CB 4.47Å; N258-A273 VanDerWaalsContact CB-O 3.31Å; N258-A273 WeakPolarHBondContact CB-O 3.49Å; N258-A273 PolarHBondContact O-N 2.86Å; F260-A273 HydrophobicContact CE1-CB 4.45Å; A273-S275 VanDerWaalsContact C-N 3.33Å; A273-D278 HydrophobicContact CB-CB 4.21Å; A273-M279 HydrophobicContact CB-CB 3.89Å | ||
| 274 | D | 89.4 | Confident | 95.2 | Very high | 64 Ų | 64 | 48.5 Ų | 48.5 | 34% | 0.342 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -74.8 | -24.9 | -177.6 | -67.2 | -22.6 | 0 | 0 | 0 | 112.5 | R212 | R212-D274 IonicContact CZ-OD1 3.51Å; R212-D274 IonicContact CZ-OD2 3.66Å; R212-D274 IonicContact NH1-OD1 3.91Å; R212-D274 PolarHBondContact NH1-OD1 2.85Å; R212-D274 IonicContact NH1-OD2 3.65Å; R212-D274 IonicContact NH2-OD1 3.32Å; R212-D274 PolarHBondContact NH2-OD1 3.18Å; R212-D274 IonicContact NH2-OD2 2.72Å; R212-D274 PolarHBondContact NH2-OD2 3.13Å |
| 275 | S | 91.1 | Very high | 95.2 | Very high | 35 Ų | 35 | 49 Ų | 49 | 25% | 0.245 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -144 | 160.5 | 179.1 | 95.7 | 0 | 0 | 0 | 0 | 111.7 | A273 E277 D278 M279 | A273-S275 VanDerWaalsContact C-N 3.33Å; S275-E277 VanDerWaalsContact C-N 3.26Å; S275-E277 VanDerWaalsContact CB-OE2 3.25Å; S275-E277 WeakPolarHBondContact CB-OE2 3.46Å; S275-E277 PolarHBondContact O-N 3.15Å; S275-E277 PolarHBondContact OG-N 2.98Å; S275-E277 PolarHBondContact OG-OE2 3.43Å; S275-D278 PolarHBondContact O-N 3.01Å; S275-D278 PolarHBondContact OG-N 2.81Å; S275-D278 VanDerWaalsContact OG-N 3.09Å; S275-M279 PolarHBondContact O-N 3.41Å |
| 276 | P | 93.8 | Very high | 95.4 | Very high | 52 Ų | 52 | 44.4 Ų | 44.4 | 34% | 0.338 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -63.7 | -34.1 | 175.4 | 24.4 | -31.8 | 0 | 0 | 0 | 111.6 | N258 M279 H280 | N258-P276 WeakPolarHBondContact OD1-CA 3.35Å; N258-P276 WeakPolarHBondContact OD1-CD 3.44Å; P276-M279 PolarHBondContact O-N 2.94Å; P276-H280 PolarHBondContact O-N 2.96Å; P276-H280 PolarHBondContact O-ND1 2.82Å |
| 277 | E | 95.4 | Very high | 95.7 | Very high | 133 Ų | 133 | 41.9 Ų | 41.9 | 62% | 0.621 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -63.6 | -43.3 | 174.7 | -56.7 | 72.7 | -156.2 | 0 | 0 | 111 | S275 H280 S281 | S275-E277 VanDerWaalsContact C-N 3.26Å; S275-E277 VanDerWaalsContact CB-OE2 3.25Å; S275-E277 WeakPolarHBondContact CB-OE2 3.46Å; S275-E277 PolarHBondContact O-N 3.15Å; S275-E277 PolarHBondContact OG-N 2.98Å; S275-E277 PolarHBondContact OG-OE2 3.43Å; E277-H280 PolarHBondContact O-N 2.85Å; E277-S281 WeakPolarHBondContact O-CB 3.48Å; E277-S281 PolarHBondContact O-N 3.1Å |
| 278 | D | 95.3 | Very high | 95.8 | Very high | 38 Ų | 38 | 41.7 Ų | 41.7 | 20% | 0.203 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -67.8 | -40 | 178.3 | -166.1 | 46.4 | 0 | 0 | 0 | 111.5 | K196 A273 S275 H280 S281 W282 | K196-D278 WeakPolarHBondContact CE-OD1 3.31Å; K196-D278 IonicContact NZ-OD1 3.78Å; K196-D278 PolarHBondContact NZ-OD1 3.15Å; A273-D278 HydrophobicContact CB-CB 4.21Å; S275-D278 PolarHBondContact O-N 3.01Å; S275-D278 PolarHBondContact OG-N 2.81Å; S275-D278 VanDerWaalsContact OG-N 3.09Å; D278-H280 PolarHBondContact O-N 3.42Å; D278-S281 WeakPolarHBondContact O-CB 3.28Å; D278-S281 PolarHBondContact O-N 2.97Å; D278-W282 PolarHBondContact O-N 3.36Å; D278-W282 PolarHBondContact OD2-NE1 2.86Å; D278-W282 VanDerWaalsContact OD2-NE1 3.12Å |
| 279 | M | 97.1 | Very high | 95.7 | Very high | 4 Ų | 4 | 40 Ų | 40 | 2% | 0.02 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -55 | -53.4 | 172.6 | -179.5 | -173.8 | 70.9 | 0 | 0 | 111.5 | E247 N258 L259 F260 A273 S275 P276 S281 W282 I283 | E247-M279 HydrophobicContact CG-CE 4.01Å; E247-M279 HydrophobicContact CG-SD 4.15Å; N258-M279 HydrophobicContact CB-CB 4.39Å; L259-M279 PolarHBondContact N-SD 2.99Å; F260-M279 HydrophobicContact CB-CG 3.99Å; F260-M279 HydrophobicContact CB-SD 4.46Å; F260-M279 HydrophobicContact CD1-CG 3.93Å; F260-M279 HydrophobicContact CG-CG 4.36Å; A273-M279 HydrophobicContact CB-CB 3.89Å; S275-M279 PolarHBondContact O-N 3.41Å; P276-M279 PolarHBondContact O-N 2.94Å; M279-S281 VanDerWaalsContact C-N 3.31Å; M279-S281 PolarHBondContact O-N 3.44Å; M279-W282 PolarHBondContact O-N 3.35Å; M279-I283 HydrophobicContact CG-CD1 4Å; M279-I283 WeakPolarHBondContact O-CG1 3.13Å; M279-I283 PolarHBondContact O-N 3.07Å |
| 280 | H | 97.8 | Very high | 95.6 | Very high | 99 Ų | 99 | 40.8 Ų | 40.8 | 46% | 0.458 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -65.3 | -35.8 | 179.2 | -66.8 | 112.8 | 0 | 0 | 0 | 111.9 | P276 E277 D278 I283 K284 | P276-H280 PolarHBondContact O-N 2.96Å; P276-H280 PolarHBondContact O-ND1 2.82Å; E277-H280 PolarHBondContact O-N 2.85Å; D278-H280 PolarHBondContact O-N 3.42Å; H280-I283 PolarHBondContact O-N 2.8Å; H280-K284 WeakPolarHBondContact O-CB 3.28Å; H280-K284 PolarHBondContact O-N 2.92Å |
| 281 | S | 97.9 | Very high | 95.5 | Very high | 50 Ų | 50 | 43 Ų | 43 | 35% | 0.35 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -60.9 | -45.3 | 174 | -178.2 | 0 | 0 | 0 | 0 | 111.6 | K196 E277 D278 M279 K284 A285 | K196-S281 PolarHBondContact NZ-OG 3.26Å; E277-S281 WeakPolarHBondContact O-CB 3.48Å; E277-S281 PolarHBondContact O-N 3.1Å; D278-S281 WeakPolarHBondContact O-CB 3.28Å; D278-S281 PolarHBondContact O-N 2.97Å; M279-S281 VanDerWaalsContact C-N 3.31Å; M279-S281 PolarHBondContact O-N 3.44Å; S281-K284 PolarHBondContact O-N 2.96Å; S281-A285 VanDerWaalsContact O-CB 3.29Å; S281-A285 WeakPolarHBondContact O-CB 3.28Å; S281-A285 PolarHBondContact O-N 3.13Å |
| 282 | W | 98.1 | Very high | 95.2 | Very high | 3 Ų | 3 | 46.7 Ų | 46.7 | 1% | 0.011 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.3 | -50 | 174.6 | -82.9 | 111 | 0 | 0 | 0 | 112.4 | K196 C200 F215 L217 F260 D278 M279 K284 A285 I286 | K196-W282 HydrophobicContact CB-CE3 4.46Å; K196-W282 HydrophobicContact CB-CH2 4.3Å; K196-W282 HydrophobicContact CB-CZ3 4.04Å; K196-W282 HydrophobicContact CD-CD2 3.68Å; K196-W282 HydrophobicContact CD-CE3 3.74Å; K196-W282 HydrophobicContact CD-CG 4.15Å; K196-W282 HydrophobicContact CD-CH2 4.34Å; K196-W282 HydrophobicContact CD-CZ2 4.28Å; K196-W282 HydrophobicContact CD-CZ3 4.07Å; K196-W282 VanDerWaalsContact CE-CD1 3.43Å; K196-W282 VanDerWaalsContact CE-CG 3.41Å; K196-W282 VanDerWaalsContact CE-NE1 3.3Å; K196-W282 HydrophobicContact CG-CD2 4.31Å; K196-W282 HydrophobicContact CG-CE3 4.14Å; K196-W282 HydrophobicContact CG-CH2 3.9Å; K196-W282 HydrophobicContact CG-CZ2 4.06Å; K196-W282 HydrophobicContact CG-CZ3 3.93Å; C200-W282 PolarHBondContact SG-NE1 3.41Å; F215-W282 HydrophobicContact CB-CH2 3.7Å; F215-W282 HydrophobicContact CB-CZ2 4.06Å; F215-W282 HydrophobicContact CB-CZ3 4.29Å; L217-W282 HydrophobicContact CB-CZ3 4.04Å; F260-W282 HydrophobicContact CE1-CB 4.12Å; F260-W282 HydrophobicContact CE1-CG 4.41Å; F260-W282 HydrophobicContact CE2-CB 4.39Å; F260-W282 HydrophobicContact CZ-CB 3.86Å; F260-W282 HydrophobicContact CZ-CG 4.17Å; D278-W282 PolarHBondContact O-N 3.36Å; D278-W282 PolarHBondContact OD2-NE1 2.86Å; D278-W282 VanDerWaalsContact OD2-NE1 3.12Å; M279-W282 PolarHBondContact O-N 3.35Å; W282-K284 VanDerWaalsContact C-N 3.29Å; W282-K284 PolarHBondContact O-N 2.9Å; W282-A285 PolarHBondContact O-N 3.05Å; W282-I286 HydrophobicContact CE3-CD1 4.41Å; W282-I286 WeakPolarHBondContact O-CB 3.33Å; W282-I286 VanDerWaalsContact O-CG1 3.28Å; W282-I286 WeakPolarHBondContact O-CG1 3.48Å; W282-I286 PolarHBondContact O-N 3.33Å |
| 283 | I | 97.9 | Very high | 94.8 | Very high | 27 Ų | 27 | 50.2 Ų | 50.2 | 14% | 0.138 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -55.3 | -46.9 | 176.9 | -70.3 | 168.6 | 0 | 0 | 0 | 110.3 | V245 E247 F260 M279 H280 S287 | V245-I283 HydrophobicContact CG1-CG2 4.07Å; V245-I283 WeakPolarHBondContact CG1-O 3.45Å; E247-I283 HydrophobicContact CB-CD1 4.5Å; F260-I283 HydrophobicContact CB-CD1 3.77Å; F260-I283 HydrophobicContact CB-CG1 3.86Å; F260-I283 HydrophobicContact CD2-CG1 4.27Å; F260-I283 HydrophobicContact CG-CG1 4.16Å; M279-I283 HydrophobicContact CG-CD1 4Å; M279-I283 WeakPolarHBondContact O-CG1 3.13Å; M279-I283 PolarHBondContact O-N 3.07Å; H280-I283 PolarHBondContact O-N 2.8Å; I283-S287 VanDerWaalsContact O-CB 3.25Å; I283-S287 WeakPolarHBondContact O-CB 3.47Å; I283-S287 PolarHBondContact O-N 2.9Å; I283-S287 PolarHBondContact O-OG 3Å |
| 284 | K | 97.4 | Very high | 94.2 | Very high | 164 Ų | 164 | 59.3 Ų | 59.3 | 71% | 0.713 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -64.9 | -46 | 180 | -176.6 | 179.8 | 178.7 | -177.6 | 0 | 111.9 | H280 S281 W282 S287 G288 | H280-K284 WeakPolarHBondContact O-CB 3.28Å; H280-K284 PolarHBondContact O-N 2.92Å; S281-K284 PolarHBondContact O-N 2.96Å; W282-K284 VanDerWaalsContact C-N 3.29Å; W282-K284 PolarHBondContact O-N 2.9Å; K284-S287 PolarHBondContact O-N 2.84Å; K284-G288 PolarHBondContact O-N 3.07Å |
| 285 | A | 97.3 | Very high | 93.1 | Very high | 19 Ų | 19 | 58.1 Ų | 58.1 | 16% | 0.157 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62.9 | -47.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | I195 K196 L217 S281 W282 G288 A289 | I195-A285 HydrophobicContact CG2-CB 4.33Å; K196-A285 HydrophobicContact CB-CB 4.22Å; K196-A285 HydrophobicContact CD-CB 4.04Å; L217-A285 VanDerWaalsContact CD2-C 3.44Å; L217-A285 HydrophobicContact CD2-CB 3.61Å; S281-A285 VanDerWaalsContact O-CB 3.29Å; S281-A285 WeakPolarHBondContact O-CB 3.28Å; S281-A285 PolarHBondContact O-N 3.13Å; W282-A285 PolarHBondContact O-N 3.05Å; A285-G288 PolarHBondContact O-N 2.98Å; A285-A289 PolarHBondContact O-N 2.95Å |
| 286 | I | 97.4 | Very high | 91.8 | Very high | 2 Ų | 2 | 63.4 Ų | 63.4 | 1% | 0.01 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -63 | -46.6 | 178.1 | -65.2 | 165.4 | 0 | 0 | 0 | 110.5 | L217 I222 L239 V245 F260 I262 W282 G288 A289 I290 | L217-I286 HydrophobicContact CD1-CG1 4.22Å; L217-I286 HydrophobicContact CD2-CG1 4.02Å; I222-I286 HydrophobicContact CD1-CB 4.48Å; I222-I286 HydrophobicContact CD1-CD1 3.92Å; I222-I286 HydrophobicContact CD1-CG1 3.88Å; I222-I286 HydrophobicContact CD1-CG2 3.8Å; I222-I286 HydrophobicContact CG1-CG1 4.48Å; L239-I286 HydrophobicContact CD2-CG2 4.33Å; V245-I286 HydrophobicContact CB-CG2 4.05Å; V245-I286 HydrophobicContact CG1-CB 4.17Å; V245-I286 HydrophobicContact CG1-CG2 4.01Å; V245-I286 HydrophobicContact CG2-CB 4.37Å; V245-I286 HydrophobicContact CG2-CD1 4.06Å; V245-I286 HydrophobicContact CG2-CG2 4.02Å; F260-I286 HydrophobicContact CE2-CD1 4.16Å; I262-I286 HydrophobicContact CD1-CD1 4.21Å; W282-I286 HydrophobicContact CE3-CD1 4.41Å; W282-I286 WeakPolarHBondContact O-CB 3.33Å; W282-I286 VanDerWaalsContact O-CG1 3.28Å; W282-I286 WeakPolarHBondContact O-CG1 3.48Å; W282-I286 PolarHBondContact O-N 3.33Å; I286-G288 VanDerWaalsContact C-N 3.33Å; I286-G288 PolarHBondContact O-N 3.34Å; I286-A289 PolarHBondContact O-N 2.9Å; I286-I290 HydrophobicContact CG2-CD1 3.86Å; I286-I290 VanDerWaalsContact O-CG1 3.31Å; I286-I290 WeakPolarHBondContact O-CG1 3.18Å; I286-I290 PolarHBondContact O-N 3.39Å |
| 287 | S | 96.4 | Very high | 89.6 | Confident | 44 Ų | 44 | 63.9 Ų | 63.9 | 31% | 0.308 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -60.6 | -43.4 | 177.5 | -59.7 | 0 | 0 | 0 | 0 | 111.8 | V245 I283 K284 I290 V291 | V245-S287 WeakPolarHBondContact CG1-OG 3.4Å; I283-S287 VanDerWaalsContact O-CB 3.25Å; I283-S287 WeakPolarHBondContact O-CB 3.47Å; I283-S287 PolarHBondContact O-N 2.9Å; I283-S287 PolarHBondContact O-OG 3Å; K284-S287 PolarHBondContact O-N 2.84Å; S287-I290 PolarHBondContact O-N 2.84Å; S287-V291 WeakPolarHBondContact O-CG2 3.42Å; S287-V291 PolarHBondContact O-N 3.13Å |
| 288 | G | 95.6 | Very high | 87.6 | Confident | 41 Ų | 41 | 69.7 Ų | 69.7 | 42% | 0.423 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -60.9 | -45.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | K284 A285 I286 V291 A292 | K284-G288 PolarHBondContact O-N 3.07Å; A285-G288 PolarHBondContact O-N 2.98Å; I286-G288 VanDerWaalsContact C-N 3.33Å; I286-G288 PolarHBondContact O-N 3.34Å; G288-V291 PolarHBondContact O-N 2.83Å; G288-A292 WeakPolarHBondContact O-CB 3.47Å; G288-A292 PolarHBondContact O-N 3.24Å |
| 289 | A | 94.9 | Very high | 85.4 | Confident | 6 Ų | 6 | 73.9 Ų | 73.9 | 5% | 0.05 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -62.7 | -42.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | I195 L217 L239 A285 I286 V291 A292 Q293 | I195-A289 HydrophobicContact CD1-CB 3.76Å; L217-A289 HydrophobicContact CD1-CB 4.19Å; L217-A289 HydrophobicContact CD2-CB 4.47Å; L239-A289 HydrophobicContact CD1-CB 3.53Å; A285-A289 PolarHBondContact O-N 2.95Å; I286-A289 PolarHBondContact O-N 2.9Å; A289-V291 VanDerWaalsContact C-N 3.34Å; A289-V291 PolarHBondContact O-N 3.31Å; A289-A292 PolarHBondContact O-N 2.95Å; A289-Q293 WeakPolarHBondContact O-CG 3.18Å; A289-Q293 PolarHBondContact O-N 3.36Å; A289-Q293 VanDerWaalsContact O-N 3.11Å |
| 290 | I | 94.1 | Very high | 83 | Confident | 21 Ų | 21 | 78.3 Ų | 78.3 | 11% | 0.108 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -61.7 | -41 | 175.4 | -66.8 | 165 | 0 | 0 | 0 | 111.5 | L239 V242 I286 S287 | L239-I290 HydrophobicContact CB-CG1 4.21Å; L239-I290 HydrophobicContact CD2-CG1 4.09Å; V242-I290 HydrophobicContact CB-CD1 3.87Å; V242-I290 HydrophobicContact CG1-CD1 3.61Å; I286-I290 HydrophobicContact CG2-CD1 3.86Å; I286-I290 VanDerWaalsContact O-CG1 3.31Å; I286-I290 WeakPolarHBondContact O-CG1 3.18Å; I286-I290 PolarHBondContact O-N 3.39Å; S287-I290 PolarHBondContact O-N 2.84Å |
| 291 | V | 93.3 | Very high | 80.5 | Confident | 100 Ų | 100 | 78.5 Ų | 78.5 | 61% | 0.606 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -68 | -42.4 | 177.5 | 171.4 | 0 | 0 | 0 | 0 | 111 | S287 G288 A289 Q293 R294 G295 | S287-V291 WeakPolarHBondContact O-CG2 3.42Å; S287-V291 PolarHBondContact O-N 3.13Å; G288-V291 PolarHBondContact O-N 2.83Å; A289-V291 VanDerWaalsContact C-N 3.34Å; A289-V291 PolarHBondContact O-N 3.31Å; V291-Q293 VanDerWaalsContact C-N 3.27Å; V291-Q293 PolarHBondContact O-N 3.05Å; V291-R294 PolarHBondContact O-N 2.91Å; V291-G295 PolarHBondContact O-N 2.93Å |
| 292 | A | 90.1 | Very high | 78.1 | Confident | 77 Ų | 77 | 81.8 Ų | 81.8 | 64% | 0.636 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -59 | -37.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | G288 A289 R294 G295 | G288-A292 WeakPolarHBondContact O-CB 3.47Å; G288-A292 PolarHBondContact O-N 3.24Å; A289-A292 PolarHBondContact O-N 2.95Å; A292-R294 PolarHBondContact O-N 3.36Å; A292-G295 PolarHBondContact O-N 2.88Å |
| 293 | Q | 86.2 | Confident | 75.7 | Confident | 76 Ų | 76 | 90.1 Ų | 90.1 | 36% | 0.355 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.6 | -26.4 | 174.4 | -72.7 | -172.8 | -6.2 | 0 | 0 | 114.4 | E219 N220 A289 V291 | E219-Q293 PolarHBondContact O-NE2 3.09Å; N220-Q293 VanDerWaalsContact CA-NE2 3.3Å; A289-Q293 WeakPolarHBondContact O-CG 3.18Å; A289-Q293 PolarHBondContact O-N 3.36Å; A289-Q293 VanDerWaalsContact O-N 3.11Å; V291-Q293 VanDerWaalsContact C-N 3.27Å; V291-Q293 PolarHBondContact O-N 3.05Å |
| 294 | R | 82.4 | Confident | 73 | Confident | 190 Ų | 190 | 98.1 Ų | 98.1 | 72% | 0.717 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -87.4 | -11.8 | -177.8 | -66.1 | -180 | -177.6 | -175.3 | 2.4 | 113 | V291 A292 | V291-R294 PolarHBondContact O-N 2.91Å; A292-R294 PolarHBondContact O-N 3.36Å |
| 295 | G | 65.6 | Low | 70.1 | Confident | 40 Ų | 40 | 95.6 Ų | 95.6 | 41% | 0.412 | 58% | 0.581 | S | S | . | * | trans | 66 | 161.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | V291 A292 G297 | V291-G295 PolarHBondContact O-N 2.93Å; A292-G295 PolarHBondContact O-N 2.88Å; G295-G297 PolarHBondContact O-N 3.38Å | ||
| 296 | P | 63.2 | Low | 67.1 | Low | 146 Ų | 146 | 104.1 Ų | 104.1 | 95% | 0.948 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -75.6 | 105.8 | 168.5 | 27.3 | -23.4 | 0 | 0 | 0 | 108.9 | ||
| 297 | G | 48.4 | Very low | 64.1 | Low | 61 Ų | 61 | 109.2 Ų | 109.2 | 63% | 0.629 | 65% | 0.653 | S | S | * | * | trans | 121.6 | 91.1 | 161.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | G295 | G295-G297 PolarHBondContact O-N 3.38Š| ||
| 298 | R | 52.2 | Low | 61.3 | Low | 256 Ų | 256 | 112 Ų | 112 | 97% | 0.966 | 67% | 0.673 | S | S | * | * | trans | -117.8 | 54.1 | 135.8 | -79 | -173.2 | 158.7 | -141.2 | -2.7 | 109.1 | ||||
| 299 | S | 49.1 | Very low | 58.5 | Low | 125 Ų | 125 | 116.3 Ų | 116.3 | 87% | 0.874 | 70% | 0.697 | S | S | * | * | trans | -119.5 | 61.6 | 162 | -61.1 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 300 | A | 48.4 | Very low | 55.7 | Low | 97 Ų | 97 | 124.8 Ų | 124.8 | 80% | 0.802 | 74% | 0.735 | S | S | * | * | trans | -154.4 | 67.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 301 | A | 44.2 | Very low | 52.8 | Low | 104 Ų | 104 | 128.2 Ų | 128.2 | 86% | 0.86 | 76% | 0.761 | S | S | * | * | trans | -167.5 | 64.1 | 162.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 302 | S | 47.5 | Very low | 50.1 | Low | 118 Ų | 118 | 130.1 Ų | 130.1 | 83% | 0.825 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -158.2 | 48.9 | 153 | -172.7 | 0 | 0 | 0 | 0 | 110.1 | ||
| 303 | E | 47.9 | Very low | 47.5 | Very low | 179 Ų | 179 | 134.8 Ų | 134.8 | 84% | 0.836 | 78% | 0.776 | S | S | * | * | trans | -136.6 | 101.2 | 159.5 | -70.8 | -168 | 150 | 0 | 0 | 106.3 | ||||
| 304 | H | 40.8 | Very low | 45 | Very low | 194 Ų | 194 | 134.2 Ų | 134.2 | 90% | 0.898 | 78% | 0.784 | S | S | * | * | trans | 167.3 | 97.3 | 141.3 | -85.7 | -54.4 | 0 | 0 | 0 | 109.8 | ||||
| 305 | S | 37.1 | Very low | 42.7 | Very low | 111 Ų | 111 | 133.9 Ų | 133.9 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | -178.1 | 97.1 | 128.4 | 48.6 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 306 | E | 34 | Very low | 41.2 | Very low | 199 Ų | 199 | 142.2 Ų | 142.2 | 93% | 0.93 | 81% | 0.807 | S | S | * | * | 176 | 104.7 | 127.5 | -95 | 171.9 | 167.9 | 0 | 0 | 110 | |||||
| 307 | S | 35.5 | Very low | 39.8 | Very low | 108 Ų | 108 | 140.1 Ų | 140.1 | 76% | 0.755 | 80% | 0.796 | S | S | * | * | trans | -90 | 116.1 | 166.1 | 61.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 308 | S | 37.1 | Very low | 39 | Very low | 104 Ų | 104 | 142 Ų | 142 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | trans | 43 | 123.3 | 134.1 | 55.6 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 309 | S | 36 | Very low | 38.2 | Very low | 131 Ų | 131 | 136.2 Ų | 136.2 | 92% | 0.916 | 80% | 0.799 | S | S | * | * | trans | -154.9 | 135.7 | 137.6 | -73.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 310 | E | 35.8 | Very low | 38.7 | Very low | 184 Ų | 184 | 135.9 Ų | 135.9 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | trans | -81.6 | 155.4 | -169 | -74.5 | 169.9 | 98.1 | 0 | 0 | 116.3 | ||||
| 311 | S | 34.9 | Very low | 37.9 | Very low | 92 Ų | 92 | 135.7 Ų | 135.7 | 64% | 0.643 | 79% | 0.793 | S | S | * | * | trans | 53.7 | 122 | 138.9 | 70.9 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 312 | N | 36.4 | Very low | 37.4 | Very low | 140 Ų | 140 | 135.6 Ų | 135.6 | 75% | 0.749 | 79% | 0.791 | S | S | * | * | 165.7 | 133.2 | 97.7 | -96.5 | -38.6 | 0 | 0 | 0 | 114.9 | |||||
| 313 | H | 35.8 | Very low | 36.8 | Very low | 175 Ų | 175 | 134.3 Ų | 134.3 | 81% | 0.81 | 79% | 0.788 | S | S | * | * | trans | 38 | 125 | 142.1 | -89.6 | -85.4 | 0 | 0 | 0 | 125.1 | ||||
| 314 | A | 33.8 | Very low | 36.3 | Very low | 65 Ų | 65 | 130.2 Ų | 130.2 | 54% | 0.537 | 79% | 0.785 | S | S | . | * | 70.5 | 126.6 | 128.5 | 0 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 315 | F | 33.7 | Very low | 36.1 | Very low | 183 Ų | 183 | 125 Ų | 125 | 80% | 0.803 | 77% | 0.771 | S | S | * | * | 165.7 | 133.8 | 100.7 | -91.5 | -72.9 | 0 | 0 | 0 | 112.7 | |||||
| 316 | R | 34.4 | Very low | 36.4 | Very low | 214 Ų | 214 | 128.4 Ų | 128.4 | 81% | 0.808 | 77% | 0.773 | S | S | * | * | trans | 54 | 111 | 138.4 | -82.3 | 174.9 | 172.9 | -145.4 | -1.9 | 119.9 | ||||
| 317 | S | 32.4 | Very low | 36.5 | Very low | 103 Ų | 103 | 124.3 Ų | 124.3 | 72% | 0.72 | 77% | 0.767 | S | S | * | * | 91.6 | 120.3 | 75.8 | 71 | 0 | 0 | 0 | 0 | 114 | |||||
| 318 | A | 31.2 | Very low | 36.4 | Very low | 99 Ų | 99 | 123.4 Ų | 123.4 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | 167.4 | 124.5 | 121.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 319 | T | 35.2 | Very low | 36.4 | Very low | 135 Ų | 135 | 123 Ų | 123 | 83% | 0.828 | 77% | 0.769 | S | S | * | * | trans | -69.9 | -166.7 | 164.3 | 15.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 320 | P | 60.1 | Low | 36.4 | Very low | 118 Ų | 118 | 121 Ų | 121 | 77% | 0.766 | 76% | 0.755 | S | S | * | * | cis | -140.8 | 179.4 | -26.5 | 29.3 | -7.5 | 0 | 0 | 0 | 114.2 | ||||
| 321 | A | 31.4 | Very low | 36.3 | Very low | 94 Ų | 94 | 121 Ų | 121 | 78% | 0.777 | 75% | 0.754 | S | S | * | * | trans | -158.4 | 110 | 145.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 322 | A | 34.7 | Very low | 36.2 | Very low | 101 Ų | 101 | 121.8 Ų | 121.8 | 84% | 0.835 | 76% | 0.76 | S | S | * | * | 74.2 | 131.8 | 93.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 323 | A | 35.6 | Very low | 36.1 | Very low | 91 Ų | 91 | 120.4 Ų | 120.4 | 75% | 0.752 | 76% | 0.761 | S | S | * | * | cis | -160.2 | 146.5 | 8.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 324 | A | 37.3 | Very low | 36.9 | Very low | 93 Ų | 93 | 117.1 Ų | 117.1 | 77% | 0.769 | 76% | 0.756 | S | S | * | * | 55.3 | 136.4 | 114.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 325 | S | 36.7 | Very low | 36.7 | Very low | 86 Ų | 86 | 121.3 Ų | 121.3 | 60% | 0.601 | 77% | 0.768 | S | S | * | * | cis | -176.5 | 152.5 | 1.2 | -74.4 | 0 | 0 | 0 | 0 | 103.8 | ||||
| 326 | H | 41.7 | Very low | 37 | Very low | 181 Ų | 181 | 118.6 Ų | 118.6 | 84% | 0.838 | 77% | 0.766 | S | S | * | * | -177.2 | 149.2 | 71.1 | -84.6 | -77.4 | 0 | 0 | 0 | 111.2 | |||||
| 327 | S | 35.8 | Very low | 37.6 | Very low | 113 Ų | 113 | 114.4 Ų | 114.4 | 79% | 0.79 | 77% | 0.767 | S | S | * | * | trans | -29.6 | 164.9 | 161.3 | -41.3 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 328 | A | 35.4 | Very low | 37.8 | Very low | 90 Ų | 90 | 116.9 Ų | 116.9 | 74% | 0.744 | 77% | 0.772 | S | S | * | * | cis | -167.7 | 158.1 | 27.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 329 | A | 36.1 | Very low | 37.8 | Very low | 94 Ų | 94 | 119 Ų | 119 | 78% | 0.777 | 77% | 0.769 | S | S | * | * | trans | 61.6 | 138 | 146.8 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 330 | S | 35.4 | Very low | 37.5 | Very low | 90 Ų | 90 | 119.2 Ų | 119.2 | 63% | 0.629 | 77% | 0.765 | S | S | * | * | cis | -176.6 | 145.3 | 27.9 | 21 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 331 | H | 34.9 | Very low | 36.1 | Very low | 183 Ų | 183 | 118 Ų | 118 | 85% | 0.847 | 76% | 0.759 | S | S | * | * | trans | 53.3 | 137.3 | 147 | -51.9 | -57.4 | 0 | 0 | 0 | 118.8 | ||||
| 332 | S | 33 | Very low | 36 | Very low | 109 Ų | 109 | 122.3 Ų | 122.3 | 76% | 0.762 | 76% | 0.76 | S | S | * | * | cis | -175.3 | 138.1 | 3.4 | 38.7 | 0 | 0 | 0 | 0 | 106 | ||||
| 333 | S | 34.2 | Very low | 36.1 | Very low | 111 Ų | 111 | 128.4 Ų | 128.4 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | trans | -59.8 | 175.3 | 165 | -46.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 334 | P | 51.1 | Low | 36.6 | Very low | 106 Ų | 106 | 130.2 Ų | 130.2 | 69% | 0.688 | 77% | 0.768 | S | S | * | * | cis | -152.2 | -178.4 | 18.4 | 40.7 | -17 | 0 | 0 | 0 | 118.4 | ||||
| 335 | L | 30.8 | Very low | 36.3 | Very low | 153 Ų | 153 | 129.9 Ų | 129.9 | 80% | 0.801 | 77% | 0.765 | S | S | * | * | trans | 81.8 | 110 | 149.8 | -71.7 | 157 | 0 | 0 | 0 | 121.9 | ||||
| 336 | V | 40.4 | Very low | 36.4 | Very low | 126 Ų | 126 | 132.9 Ų | 132.9 | 76% | 0.764 | 77% | 0.773 | S | S | * | * | trans | -24 | 150.6 | 144.5 | -86.4 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 337 | P | 46.5 | Very low | 35.8 | Very low | 126 Ų | 126 | 132.8 Ų | 132.8 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | -152.1 | 165.2 | 75.7 | 35.7 | -12.7 | 0 | 0 | 0 | 119.6 | |||||
| 338 | N | 36.1 | Very low | 35.9 | Very low | 156 Ų | 156 | 136 Ų | 136 | 83% | 0.834 | 77% | 0.773 | S | S | * | * | trans | -35.9 | 141.7 | 163.5 | -111.7 | -22.7 | 0 | 0 | 0 | 116.1 | ||||
| 339 | L | 30.8 | Very low | 35.5 | Very low | 144 Ų | 144 | 143.6 Ų | 143.6 | 75% | 0.754 | 78% | 0.782 | S | S | * | * | 178.4 | 142.2 | 118.7 | -135.5 | 71.3 | 0 | 0 | 0 | 114.1 | |||||
| 340 | N | 30 | Very low | 35.1 | Very low | 138 Ų | 138 | 142.3 Ų | 142.3 | 74% | 0.738 | 78% | 0.778 | S | S | * | * | trans | 66 | 121.6 | 139.2 | -89.7 | 3.7 | 0 | 0 | 0 | 124.4 | ||||
| 341 | S | 30 | Very low | 34.9 | Very low | 92 Ų | 92 | 147.5 Ų | 147.5 | 64% | 0.643 | 79% | 0.79 | S | S | * | * | 78.5 | 138.5 | 116.9 | -143.5 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 342 | K | 30.3 | Very low | 34.8 | Very low | 186 Ų | 186 | 145.8 Ų | 145.8 | 81% | 0.809 | 78% | 0.782 | S | S | * | * | trans | 88.6 | 126.5 | 148.6 | -77.7 | 163 | -174.6 | -172.5 | 0 | 120.5 | ||||
| 343 | Y | 36.7 | Very low | 35 | Very low | 228 Ų | 228 | 147.7 Ų | 147.7 | 89% | 0.894 | 78% | 0.779 | S | S | * | * | trans | -34.5 | 158.5 | 149.2 | -64.6 | -92 | 0 | 0 | 0 | 114.1 | ||||
| 344 | P | 44.9 | Very low | 35.5 | Very low | 130 Ų | 130 | 148.6 Ų | 148.6 | 84% | 0.844 | 78% | 0.782 | S | S | * | * | trans | -132.8 | 147 | 132.5 | 31.8 | -17 | 0 | 0 | 0 | 113.9 | ||||
| 345 | A | 32.4 | Very low | 34.5 | Very low | 85 Ų | 85 | 151.7 Ų | 151.7 | 70% | 0.702 | 79% | 0.785 | S | S | * | * | trans | -102.7 | 155.1 | 164.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 346 | L | 37.5 | Very low | 34.8 | Very low | 150 Ų | 150 | 151.4 Ų | 151.4 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | trans | 61.5 | 125.4 | 162.9 | -93.1 | 93.5 | 0 | 0 | 0 | 119.6 | ||||
| 347 | E | 30.5 | Very low | 34.5 | Very low | 178 Ų | 178 | 154.5 Ų | 154.5 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | -175.1 | 167.6 | 95.7 | -97.8 | -153.2 | 135.1 | 0 | 0 | 114.2 | |||||
| 348 | K | 35.9 | Very low | 33.9 | Very low | 182 Ų | 182 | 153.4 Ų | 153.4 | 79% | 0.791 | 79% | 0.794 | S | S | * | * | trans | -79.5 | 152.3 | -163.5 | -65.2 | 158.9 | 169.4 | 169.8 | 0 | 115.4 | ||||
| 349 | R | 29 | Very low | 33.9 | Very low | 248 Ų | 248 | 155.1 Ų | 155.1 | 94% | 0.936 | 79% | 0.794 | S | S | * | * | trans | 172.2 | 114.7 | 130.8 | -100.4 | 172.2 | 178.2 | 165 | 0.4 | 105.8 | ||||
| 350 | G | 27.3 | Very low | 34.2 | Very low | 67 Ų | 67 | 154.5 Ų | 154.5 | 69% | 0.691 | 80% | 0.799 | S | S | * | * | 86.1 | 117.4 | 71.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | |||||
| 351 | F | 31.2 | Very low | 34.1 | Very low | 199 Ų | 199 | 151.4 Ų | 151.4 | 87% | 0.873 | 80% | 0.8 | S | S | * | * | trans | 178.3 | 163.6 | 145.4 | -108.2 | -124.3 | 0 | 0 | 0 | 109.5 | ||||
| 352 | H | 31.6 | Very low | 34.3 | Very low | 147 Ų | 147 | 154.4 Ų | 154.4 | 68% | 0.681 | 81% | 0.808 | S | S | * | * | trans | -106.1 | 170.3 | -137.7 | 49.2 | -106.1 | 0 | 0 | 0 | 116 | ||||
| 353 | E | 38.8 | Very low | 34.5 | Very low | 150 Ų | 150 | 155.9 Ų | 155.9 | 70% | 0.701 | 81% | 0.81 | S | S | * | * | trans | -49.2 | 168.6 | 169.1 | -73.4 | 173.3 | 115.1 | 0 | 0 | 116.5 | ||||
| 354 | P | 43.3 | Very low | 34.4 | Very low | 129 Ų | 129 | 153.7 Ų | 153.7 | 84% | 0.838 | 81% | 0.806 | S | S | * | * | -125.6 | 139.3 | 129 | 28.7 | -14.4 | 0 | 0 | 0 | 114.7 | |||||
| 355 | F | 30.2 | Very low | 33.8 | Very low | 171 Ų | 171 | 154.5 Ų | 154.5 | 75% | 0.75 | 80% | 0.801 | S | S | * | * | trans | -63.4 | 143 | 168.6 | -94.1 | -105.6 | 0 | 0 | 0 | 113.4 | ||||
| 356 | T | 38.2 | Very low | 33.7 | Very low | 147 Ų | 147 | 158.5 Ų | 158.5 | 90% | 0.902 | 81% | 0.806 | S | S | * | * | trans | -134.5 | 153.3 | 137.7 | 52.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 357 | K | 33.2 | Very low | 33.5 | Very low | 191 Ų | 191 | 157.8 Ų | 157.8 | 83% | 0.83 | 81% | 0.807 | S | S | * | * | trans | -119.2 | 125.8 | -146.6 | -174.2 | -178.5 | -170.1 | 174.6 | 0 | 108.9 | ||||
| 358 | A | 33.3 | Very low | 33.6 | Very low | 103 Ų | 103 | 155.7 Ų | 155.7 | 85% | 0.851 | 81% | 0.806 | S | S | * | * | trans | -144.1 | 133 | 162 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 359 | K | 36.7 | Very low | 33.7 | Very low | 192 Ų | 192 | 150.8 Ų | 150.8 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 156.7 | -167.1 | -69.6 | 177.2 | 174.7 | 178.7 | 0 | 113.3 | ||
| 360 | P | 36.4 | Very low | 34.5 | Very low | 131 Ų | 131 | 145 Ų | 145 | 85% | 0.851 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -87 | 130.5 | 174.2 | 33.7 | -29.5 | 0 | 0 | 0 | 111.6 | ||
| 361 | G | 29.6 | Very low | 34.7 | Very low | 73 Ų | 73 | 153.9 Ų | 153.9 | 75% | 0.753 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -92.5 | 126.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 362 | N | 33.3 | Very low | 35 | Very low | 155 Ų | 155 | 153.2 Ų | 153.2 | 83% | 0.829 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 127.7 | -178.1 | -148.8 | 1.4 | 0 | 0 | 0 | 109.6 | ||
| 363 | Y | 35.7 | Very low | 36.3 | Very low | 217 Ų | 217 | 151.5 Ų | 151.5 | 85% | 0.851 | 81% | 0.809 | S | S | * | * | trans | -137 | 127 | 158.1 | 57.4 | -92.6 | 0 | 0 | 0 | 110.1 | ||||
| 364 | K | 32.8 | Very low | 35.8 | Very low | 182 Ų | 182 | 148.6 Ų | 148.6 | 79% | 0.791 | 81% | 0.81 | S | S | * | * | trans | -111.8 | 153.3 | 173.5 | -83.1 | -174.3 | 167.3 | -178.4 | 0 | 109.2 | ||||
| 365 | I | 33.3 | Very low | 35.3 | Very low | 148 Ų | 148 | 147.6 Ų | 147.6 | 76% | 0.759 | 81% | 0.806 | S | S | * | * | trans | 84.6 | 128.3 | 158.6 | -39 | -160.3 | 0 | 0 | 0 | 113.2 | ||||
| 366 | Q | 29.3 | Very low | 35.4 | Very low | 169 Ų | 169 | 149 Ų | 149 | 79% | 0.79 | 81% | 0.812 | S | S | * | * | cis | -156.8 | 143.7 | 38.8 | -150.3 | 147.1 | 8.3 | 0 | 0 | 113.7 | ||||
| 367 | V | 33.7 | Very low | 35 | Very low | 135 Ų | 135 | 148.4 Ų | 148.4 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | trans | -86.5 | 133.1 | 163.7 | 169.7 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 368 | V | 32 | Very low | 34.8 | Very low | 133 Ų | 133 | 145.3 Ų | 145.3 | 81% | 0.806 | 81% | 0.805 | S | S | * | * | trans | -129.2 | 125.1 | 163.8 | 178.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 369 | A | 39.4 | Very low | 34.7 | Very low | 80 Ų | 80 | 148.8 Ų | 148.8 | 66% | 0.661 | 80% | 0.804 | S | S | * | * | trans | -105 | 169.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 370 | P | 44.9 | Very low | 34.3 | Very low | 127 Ų | 127 | 149.1 Ų | 149.1 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | trans | -85.7 | 162.2 | -140.6 | 34.8 | -37.4 | 0 | 0 | 0 | 115.1 | ||||
| 371 | R | 32.3 | Very low | 33.9 | Very low | 252 Ų | 252 | 146.5 Ų | 146.5 | 95% | 0.951 | 81% | 0.805 | S | S | * | * | trans | -123.9 | 130.5 | 161.9 | -95.9 | -174.2 | 170.8 | 171.4 | -2.3 | 110.5 | ||||
| 372 | E | 37.9 | Very low | 33.9 | Very low | 185 Ų | 185 | 151.1 Ų | 151.1 | 86% | 0.864 | 81% | 0.812 | S | S | * | * | trans | -103.5 | 179.8 | 171.5 | -128.1 | -163.2 | -175.5 | 0 | 0 | 109.5 | ||||
| 373 | P | 57.3 | Low | 33.7 | Very low | 112 Ų | 112 | 148.3 Ų | 148.3 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | -115 | 173.2 | -115.9 | 38.6 | -23.2 | 0 | 0 | 0 | 114.4 | |||||
| 374 | A | 29.2 | Very low | 33.6 | Very low | 89 Ų | 89 | 146.7 Ų | 146.7 | 74% | 0.736 | 81% | 0.805 | S | S | * | * | trans | 159.4 | 133.7 | 132.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 375 | S | 33.1 | Very low | 34 | Very low | 108 Ų | 108 | 143.7 Ų | 143.7 | 76% | 0.755 | 80% | 0.804 | S | S | * | * | 139.2 | 107.2 | 122 | -60.4 | 0 | 0 | 0 | 0 | 115 | |||||
| 376 | K | 32 | Very low | 33.8 | Very low | 199 Ų | 199 | 145 Ų | 145 | 87% | 0.865 | 81% | 0.806 | S | S | * | * | 38.8 | 126.7 | 128.3 | -59.5 | -173.6 | 178.6 | -172.8 | 0 | 120.4 | |||||
| 377 | V | 29.1 | Very low | 33.9 | Very low | 136 Ų | 136 | 141.3 Ų | 141.3 | 82% | 0.824 | 80% | 0.8 | S | S | * | * | -163.9 | 104.7 | 120.5 | 170.3 | 0 | 0 | 0 | 0 | 106 | |||||
| 378 | T | 29.7 | Very low | 33.9 | Very low | 125 Ų | 125 | 143 Ų | 143 | 77% | 0.767 | 80% | 0.796 | S | S | * | * | 85.3 | 129.2 | 89.7 | -46.5 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 379 | E | 32.2 | Very low | 33.9 | Very low | 176 Ų | 176 | 144.2 Ų | 144.2 | 82% | 0.822 | 80% | 0.798 | S | S | * | * | trans | -49.4 | 153.6 | -179.2 | -64.2 | 170.9 | 105.2 | 0 | 0 | 117.8 | ||||
| 380 | Q | 28 | Very low | 33.4 | Very low | 199 Ų | 199 | 143.6 Ų | 143.6 | 93% | 0.93 | 80% | 0.799 | S | S | * | * | -173.1 | 124.6 | 122.9 | -96.6 | 167.5 | 6.9 | 0 | 0 | 104.7 | |||||
| 381 | G | 27.3 | Very low | 32.7 | Very low | 76 Ų | 76 | 144 Ų | 144 | 78% | 0.784 | 80% | 0.799 | S | S | * | * | cis | 116.5 | 127.5 | 39.7 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 382 | L | 28.7 | Very low | 32.7 | Very low | 170 Ų | 170 | 139.8 Ų | 139.8 | 89% | 0.89 | 79% | 0.79 | S | S | * | * | trans | 117.9 | 115.8 | 152.6 | -137.8 | 77.2 | 0 | 0 | 0 | 119 | ||||
| 383 | S | 29.9 | Very low | 32.5 | Very low | 96 Ų | 96 | 138.8 Ų | 138.8 | 67% | 0.671 | 79% | 0.786 | S | S | * | * | trans | 76 | 104.5 | 138.4 | 53.9 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 384 | E | 34.4 | Very low | 31.3 | Very low | 184 Ų | 184 | 141.9 Ų | 141.9 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | -69 | 156.2 | 123.3 | -73.3 | -172.9 | 117.9 | 0 | 0 | 109.8 | |||||
| 385 | P | 40 | Very low | 31.7 | Very low | 119 Ų | 119 | 144.7 Ų | 144.7 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | -141.9 | 135.1 | 99.6 | 32.1 | -14.9 | 0 | 0 | 0 | 115 | |||||
| 386 | Q | 30.2 | Very low | 32.3 | Very low | 174 Ų | 174 | 144.9 Ų | 144.9 | 81% | 0.813 | 79% | 0.792 | S | S | * | * | 43 | 118.4 | 122.5 | -88.3 | -168.2 | 2.8 | 0 | 0 | 121.1 | |||||
| 387 | S | 30.5 | Very low | 32.3 | Very low | 93 Ų | 93 | 138.4 Ų | 138.4 | 65% | 0.65 | 78% | 0.781 | S | S | * | * | 112.2 | 132.5 | 111.4 | -145.1 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 388 | K | 34.5 | Very low | 32.6 | Very low | 171 Ų | 171 | 140 Ų | 140 | 74% | 0.743 | 79% | 0.785 | S | S | * | * | trans | 110 | 128.5 | 136.9 | -57 | -159.6 | -178.4 | 172.7 | 0 | 120.3 | ||||
| 389 | N | 31.2 | Very low | 33.2 | Very low | 158 Ų | 158 | 141.1 Ų | 141.1 | 85% | 0.845 | 79% | 0.791 | S | S | * | * | trans | 76 | 134.3 | 150.1 | -55.6 | -15.3 | 0 | 0 | 0 | 115.9 | ||||
| 390 | G | 28.7 | Very low | 33.6 | Very low | 66 Ų | 66 | 139.1 Ų | 139.1 | 68% | 0.68 | 79% | 0.786 | S | S | * | * | cis | 134.4 | 113.9 | 16.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 391 | T | 31 | Very low | 34.5 | Very low | 136 Ų | 136 | 137.8 Ų | 137.8 | 83% | 0.834 | 78% | 0.784 | S | S | * | * | trans | 48.5 | 123.1 | 147.1 | -32.6 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 392 | Q | 31.1 | Very low | 35 | Very low | 163 Ų | 163 | 141.7 Ų | 141.7 | 76% | 0.762 | 79% | 0.787 | S | S | * | * | 164.9 | 144.1 | 97.3 | -157.9 | 159.6 | 23.9 | 0 | 0 | 112.9 | |||||
| 393 | E | 35 | Very low | 35.6 | Very low | 164 Ų | 164 | 141.1 Ų | 141.1 | 77% | 0.766 | 79% | 0.785 | S | S | * | * | trans | -45.5 | 149.9 | 167.5 | -58.9 | 171.7 | 104.5 | 0 | 0 | 114.8 | ||||
| 394 | Q | 32.2 | Very low | 36.2 | Very low | 177 Ų | 177 | 140 Ų | 140 | 83% | 0.827 | 78% | 0.782 | S | S | * | * | -177 | 120.9 | 116 | -99.5 | 172.7 | 48.6 | 0 | 0 | 111.7 | |||||
| 395 | D | 37.2 | Very low | 36.6 | Very low | 148 Ų | 148 | 136.8 Ų | 136.8 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | trans | -67.1 | 142.9 | 144.8 | 179.7 | 34.6 | 0 | 0 | 0 | 108.4 | ||||
| 396 | P | 45.4 | Very low | 37.2 | Very low | 113 Ų | 113 | 138.8 Ų | 138.8 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | -149.3 | 156.1 | 109.5 | 35.9 | -19.2 | 0 | 0 | 0 | 114.3 | |||||
| 397 | G | 31.5 | Very low | 38.5 | Very low | 62 Ų | 62 | 136.6 Ų | 136.6 | 64% | 0.639 | 78% | 0.783 | S | S | * | * | trans | 152.9 | 87 | 143 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 398 | L | 36.5 | Very low | 39.4 | Very low | 171 Ų | 171 | 137.9 Ų | 137.9 | 90% | 0.895 | 79% | 0.787 | S | S | * | * | trans | -56.2 | 129.1 | 155.9 | -131.5 | 109.1 | 0 | 0 | 0 | 109.9 | ||||
| 399 | V | 42.7 | Very low | 39.9 | Very low | 147 Ų | 147 | 134.1 Ų | 134.1 | 89% | 0.891 | 78% | 0.782 | S | S | * | * | trans | -130.3 | 113.6 | 160.1 | -76.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 400 | D | 39.8 | Very low | 40.7 | Very low | 134 Ų | 134 | 133.8 Ų | 133.8 | 72% | 0.717 | 78% | 0.781 | S | S | * | * | trans | -107.9 | 118.9 | 171 | -173.2 | 19.5 | 0 | 0 | 0 | 106.1 | ||||
| 401 | L | 46.1 | Very low | 41.6 | Very low | 171 Ų | 171 | 141 Ų | 141 | 90% | 0.895 | 81% | 0.811 | S | S | * | * | trans | -158.1 | 105.8 | 163 | -79.3 | -174.2 | 0 | 0 | 0 | 109.4 | ||||
| 402 | D | 38 | Very low | 42.1 | Very low | 158 Ų | 158 | 141.2 Ų | 141.2 | 85% | 0.845 | 81% | 0.809 | S | S | * | * | trans | -48.2 | 129 | 144.4 | -77.1 | -48.6 | 0 | 0 | 0 | 109.9 | ||||
| 403 | D | 41.4 | Very low | 42.7 | Very low | 159 Ų | 159 | 140.1 Ų | 140.1 | 85% | 0.85 | 81% | 0.812 | S | S | * | * | trans | -165.4 | 145.8 | 131.3 | -158.1 | 14 | 0 | 0 | 0 | 111.5 | ||||
| 404 | A | 42.7 | Very low | 43.1 | Very low | 73 Ų | 73 | 138.7 Ų | 138.7 | 60% | 0.603 | 81% | 0.814 | S | S | * | * | trans | -65.6 | 149.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 405 | S | 43.1 | Very low | 43.7 | Very low | 116 Ų | 116 | 136.5 Ų | 136.5 | 81% | 0.811 | 81% | 0.814 | S | S | * | * | 170.8 | 120.5 | 120.8 | -76.2 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 406 | L | 52.2 | Low | 44.1 | Very low | 160 Ų | 160 | 135.8 Ų | 135.8 | 84% | 0.838 | 82% | 0.815 | S | S | * | * | trans | -60.3 | 158.7 | 164.2 | -62.6 | 162.9 | 0 | 0 | 0 | 110.6 | ||||
| 407 | P | 58.6 | Low | 44 | Very low | 128 Ų | 128 | 137.3 Ų | 137.3 | 83% | 0.831 | 82% | 0.821 | S | S | * | * | trans | -120.8 | 135.7 | 136.6 | 32.6 | -22.8 | 0 | 0 | 0 | 111.4 | ||||
| 408 | V | 48.1 | Very low | 44.9 | Very low | 120 Ų | 120 | 142.6 Ų | 142.6 | 73% | 0.727 | 83% | 0.834 | S | S | * | * | trans | -91.5 | 142.9 | 170.9 | -178.6 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 409 | S | 46.3 | Very low | 45.6 | Very low | 92 Ų | 92 | 140.5 Ų | 140.5 | 64% | 0.643 | 83% | 0.829 | S | S | * | * | trans | 72.7 | 134.8 | 148.2 | 57.8 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 410 | D | 47.9 | Very low | 45.8 | Very low | 152 Ų | 152 | 139.9 Ų | 139.9 | 81% | 0.813 | 82% | 0.824 | S | S | * | * | trans | 84 | 104.1 | 142.4 | -59.2 | -24.8 | 0 | 0 | 0 | 120.1 | ||||
| 411 | V | 45.8 | Very low | 46.4 | Very low | 216 Ų | 216 | 140.5 Ų | 140.5 | 100% | 1.309 | 83% | 0.833 | S | S | * | * | -163.4 | 0 | 92.1 | 155.6 | 0 | 0 | 0 | 0 | 109.9 |
Retrieved 411 of 411 residues in 174.5 ms
(Link to these results)