| 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 | 82.3 | Confident | 91.9 | Very high | 106 Ų | 106 | 81.5 Ų | 81.5 | 52% | 0.522 | 38% | 0.377 | S | S | . | . | 0 | 131.1 | 0 | -66.1 | 175.3 | 71 | 0 | 0 | 109.6 | Q98 D99 E102 | M1-Q98 HydrophobicContact CE-CG 3.65Å; M1-Q98 HydrophobicContact SD-CG 4.11Å; M1-D99 WeakPolarHBondContact CA-OD1 3.44Å; M1-D99 HydrophobicContact CG-CB 4.14Å; M1-D99 PolarHBondContact N-OD1 2.98Å; M1-D99 PolarHBondContact N-OD2 3.14Å; M1-E102 VanDerWaalsContact CE-CD 3.4Å; M1-E102 WeakPolarHBondContact CE-OE1 3.35Å; M1-E102 VanDerWaalsContact CE-OE2 3.28Å; M1-E102 WeakPolarHBondContact CE-OE2 3.36Å | |||
| 2 | P | 92.8 | Very high | 92.2 | Very high | 18 Ų | 18 | 74.8 Ų | 74.8 | 12% | 0.117 | 35% | 0.346 | C | S | . | . | trans | -63.7 | 144.7 | 172 | 27.3 | -31.8 | 0 | 0 | 0 | 110.4 | I10 C11 D99 E102 W103 | P2-I10 HydrophobicContact CB-CG2 3.69Å; P2-C11 CarbonylContact C-O 3.47Å; P2-C11 WeakPolarHBondContact CA-O 3.48Å; P2-D99 VanDerWaalsContact CD-OD1 3.24Å; P2-D99 WeakPolarHBondContact CD-OD1 3.28Å; P2-E102 WeakPolarHBondContact CD-OE2 3.22Å; P2-E102 HydrophobicContact CG-CB 3.61Å; P2-W103 HydrophobicContact CB-CD2 3.98Å; P2-W103 HydrophobicContact CB-CE3 4.41Å; P2-W103 HydrophobicContact CB-CG 4.45Å; P2-W103 HydrophobicContact CB-CH2 4.33Å; P2-W103 HydrophobicContact CB-CZ2 3.9Å; P2-W103 HydrophobicContact CG-CD2 4.18Å; P2-W103 HydrophobicContact CG-CG 4.16Å | ||
| 3 | Y | 94.1 | Very high | 92.4 | Very high | 111 Ų | 111 | 73.2 Ų | 73.2 | 44% | 0.435 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 162.4 | 177.6 | 68.8 | -86.4 | 0 | 0 | 0 | 110.7 | I10 C11 Y29 | Y3-I10 CarbonylContact O-C 3.37Å; Y3-C11 VanDerWaalsContact CD1-O 3.3Å; Y3-C11 WeakPolarHBondContact CD1-O 3.41Å; Y3-C11 PolarHBondContact N-O 3.19Å; Y3-C11 PolarHBondContact O-N 3.06Å; Y3-Y29 HydrophobicContact CE1-CE2 4.49Å; Y3-Y29 PolarHBondContact OH-OH 2.76Å |
| 4 | V | 94.1 | Very high | 92.6 | Very high | 89 Ų | 89 | 68 Ų | 68 | 54% | 0.539 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 127.9 | -179.4 | -176.8 | 0 | 0 | 0 | 0 | 109.9 | N8 R9 | V4-N8 HydrophobicContact CG1-CB 4.48Å; V4-R9 CarbonylContact C-O 3.54Å; V4-R9 WeakPolarHBondContact CA-O 3.27Å |
| 5 | D | 90.9 | Very high | 92.8 | Very high | 17 Ų | 17 | 64.4 Ų | 64.4 | 9% | 0.091 | 30% | 0.298 | C | S | . | . | trans | -82.3 | 178 | 175 | 78.5 | 3.3 | 0 | 0 | 0 | 112.7 | Q7 N8 R9 | D5-Q7 PolarHBondContact O-N 3.25Å; D5-Q7 VanDerWaalsContact O-N 3.12Å; D5-Q7 VanDerWaalsContact OD1-CA 3.3Å; D5-Q7 WeakPolarHBondContact OD1-CA 3.48Å; D5-Q7 WeakPolarHBondContact OD1-CB 3.3Å; D5-Q7 PolarHBondContact OD1-N 2.82Å; D5-Q7 PolarHBondContact OD2-OE1 2.84Å; D5-N8 PolarHBondContact O-N 3Å; D5-N8 PolarHBondContact OD1-N 3.33Å; D5-R9 PolarHBondContact N-O 3Å; D5-R9 WeakPolarHBondContact OD1-CB 3.47Å; D5-R9 PolarHBondContact OD1-N 3.47Å; D5-R9 IonicContact OD1-NE 2.77Å; D5-R9 IonicContact OD2-CZ 3.67Å; D5-R9 VanDerWaalsContact OD2-CZ 3.25Å; D5-R9 IonicContact OD2-NE 3.53Å; D5-R9 PolarHBondContact OD2-NE 3.32Å; D5-R9 IonicContact OD2-NH2 3.69Å; D5-R9 PolarHBondContact OD2-NH2 3.48Å | ||
| 6 | R | 89.5 | Confident | 92.9 | Very high | 229 Ų | 229 | 60.4 Ų | 60.4 | 86% | 0.864 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -14.3 | 179.7 | -63.7 | -176.9 | -176.6 | 172.6 | 0.5 | 114 | ||
| 7 | Q | 89.8 | Confident | 92.8 | Very high | 95 Ų | 95 | 57 Ų | 57 | 44% | 0.444 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | 10.5 | 177.2 | -67.9 | 78.9 | 49.8 | 0 | 0 | 112 | D5 R9 | D5-Q7 PolarHBondContact O-N 3.25Å; D5-Q7 VanDerWaalsContact O-N 3.12Å; D5-Q7 VanDerWaalsContact OD1-CA 3.3Å; D5-Q7 WeakPolarHBondContact OD1-CA 3.48Å; D5-Q7 WeakPolarHBondContact OD1-CB 3.3Å; D5-Q7 PolarHBondContact OD1-N 2.82Å; D5-Q7 PolarHBondContact OD2-OE1 2.84Å; Q7-R9 HydrophobicContact CB-CG 4.1Å; Q7-R9 PolarHBondContact O-N 2.67Å |
| 8 | N | 91 | Very high | 92.5 | Very high | 134 Ų | 134 | 56.3 Ų | 56.3 | 72% | 0.717 | 26% | 0.261 | S | S | * | . | S | Bend | trans | 60.3 | 30.1 | -174.2 | -67.4 | -36.5 | 0 | 0 | 0 | 113.8 | V4 D5 | V4-N8 HydrophobicContact CG1-CB 4.48Å; D5-N8 PolarHBondContact O-N 3Å; D5-N8 PolarHBondContact OD1-N 3.33Å |
| 9 | R | 94.4 | Very high | 92 | Very high | 61 Ų | 61 | 59.4 Ų | 59.4 | 23% | 0.23 | 28% | 0.279 | C | S | . | . | trans | -100 | 150 | 174.3 | -54 | 176.9 | -58.4 | -178.5 | 1.9 | 109.8 | V4 D5 Q7 I31 D33 | V4-R9 CarbonylContact C-O 3.54Å; V4-R9 WeakPolarHBondContact CA-O 3.27Å; D5-R9 PolarHBondContact N-O 3Å; D5-R9 WeakPolarHBondContact OD1-CB 3.47Å; D5-R9 PolarHBondContact OD1-N 3.47Å; D5-R9 IonicContact OD1-NE 2.77Å; D5-R9 IonicContact OD2-CZ 3.67Å; D5-R9 VanDerWaalsContact OD2-CZ 3.25Å; D5-R9 IonicContact OD2-NE 3.53Å; D5-R9 PolarHBondContact OD2-NE 3.32Å; D5-R9 IonicContact OD2-NH2 3.69Å; D5-R9 PolarHBondContact OD2-NH2 3.48Å; Q7-R9 HydrophobicContact CB-CG 4.1Å; Q7-R9 PolarHBondContact O-N 2.67Å; R9-I31 HydrophobicContact CB-CG2 4.1Å; R9-D33 WeakPolarHBondContact CD-OD2 3.35Å; R9-D33 HydrophobicContact CG-CB 4.25Å | ||
| 10 | I | 96 | Very high | 91.5 | Very high | 36 Ų | 36 | 60.9 Ų | 60.9 | 19% | 0.185 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 123.5 | 179.9 | -59.5 | 174 | 0 | 0 | 0 | 108.2 | P2 Y3 L32 V106 | P2-I10 HydrophobicContact CB-CG2 3.69Å; Y3-I10 CarbonylContact O-C 3.37Å; I10-L32 HydrophobicContact CB-CB 4.12Å; I10-L32 HydrophobicContact CB-CD2 4.27Å; I10-L32 HydrophobicContact CB-CG 4.48Å; I10-L32 HydrophobicContact CD1-CD2 4.25Å; I10-L32 PolarHBondContact N-O 3.15Å; I10-L32 WeakPolarHBondContact O-CB 3.33Å; I10-L32 PolarHBondContact O-N 3.47Å; I10-V106 HydrophobicContact CD1-CB 3.72Å; I10-V106 HydrophobicContact CD1-CG1 3.83Å; I10-V106 HydrophobicContact CD1-CG2 4.43Å; I10-V106 HydrophobicContact CG2-CB 4.42Å; I10-V106 HydrophobicContact CG2-CG1 4.5Å; I10-V106 HydrophobicContact CG2-CG2 4.08Å |
| 11 | C | 96.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 155 | -170 | -59.7 | 0 | 0 | 0 | 0 | 111.6 | P2 Y3 Y29 F30 | P2-C11 CarbonylContact C-O 3.47Å; P2-C11 WeakPolarHBondContact CA-O 3.48Å; Y3-C11 VanDerWaalsContact CD1-O 3.3Å; Y3-C11 WeakPolarHBondContact CD1-O 3.41Å; Y3-C11 PolarHBondContact N-O 3.19Å; Y3-C11 PolarHBondContact O-N 3.06Å; C11-Y29 HydrophobicContact CB-CE1 4.02Å; C11-Y29 VanDerWaalsContact CB-OH 3.24Å; C11-Y29 WeakPolarHBondContact CB-OH 3.45Å; C11-F30 VanDerWaalsContact CA-O 3.23Å; C11-F30 WeakPolarHBondContact CA-O 3.25Å |
| 12 | G | 95.3 | Very high | 91 | Very high | 1 Ų | 1 | 61.7 Ų | 61.7 | 1% | 0.01 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 166.4 | 174.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | F30 | G12-F30 PolarHBondContact N-O 3.34Å; G12-F30 PolarHBondContact O-N 2.97Å |
| 13 | F | 95 | Very high | 90.5 | Very high | 55 Ų | 55 | 63.2 Ų | 63.2 | 24% | 0.241 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 135.8 | 176.1 | -71.7 | -82.2 | 0 | 0 | 0 | 111.3 | R27 R28 Y29 D44 | F13-R27 HydrophobicContact CD1-CG 4.01Å; F13-R28 WeakPolarHBondContact CA-O 3.44Å; F13-Y29 HydrophobicContact CD1-CD2 4.12Å; F13-Y29 AromaticContact CD2-CD2 3.94Å; F13-Y29 HydrophobicContact CD2-CD2 3.94Å; F13-Y29 HydrophobicContact CD2-CE2 4.44Å; F13-Y29 AromaticContact CE1-CD2 3.88Å; F13-Y29 HydrophobicContact CE1-CD2 3.88Å; F13-Y29 HydrophobicContact CE1-CG 4.37Å; F13-Y29 AromaticContact CE2-CD2 3.67Å; F13-Y29 HydrophobicContact CE2-CD2 3.67Å; F13-Y29 HydrophobicContact CE2-CE2 4.15Å; F13-Y29 HydrophobicContact CG-CD2 4.16Å; F13-Y29 AromaticContact CZ-CD2 3.65Å; F13-Y29 HydrophobicContact CZ-CD2 3.65Å; F13-Y29 HydrophobicContact CZ-CE2 4.46Å; F13-Y29 HydrophobicContact CZ-CG 4.46Å; F13-D44 WeakPolarHBondContact CZ-OD1 3.44Å |
| 14 | L | 95.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 156.4 | 168.1 | -68.9 | 168.8 | 0 | 0 | 0 | 108.1 | R28 F30 F81 L92 Q93 A94 W103 | L14-R28 PolarHBondContact N-O 3.21Å; L14-R28 VanDerWaalsContact N-O 3.08Å; L14-R28 PolarHBondContact O-N 2.95Å; L14-R28 VanDerWaalsContact O-O 3.08Å; L14-F30 HydrophobicContact CB-CD2 3.66Å; L14-F30 HydrophobicContact CB-CE2 3.62Å; L14-F30 HydrophobicContact CD1-CD2 4Å; 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 4.3Å; L14-F81 HydrophobicContact CD1-CZ 3.79Å; L14-F81 HydrophobicContact CD2-CE1 3.91Å; L14-F81 HydrophobicContact CD2-CZ 4.25Å; L14-L92 HydrophobicContact CB-CD2 4.45Å; L14-L92 HydrophobicContact CD1-CD2 3.77Å; L14-Q93 WeakPolarHBondContact CD2-O 3.18Å; L14-A94 HydrophobicContact CD2-CB 4.13Å; L14-W103 HydrophobicContact CD1-CD2 3.69Å; L14-W103 HydrophobicContact CD1-CE3 4.06Å; L14-W103 HydrophobicContact CD1-CG 4.07Å; L14-W103 HydrophobicContact CD1-CH2 4.36Å; L14-W103 HydrophobicContact CD1-CZ2 4Å; L14-W103 HydrophobicContact CD1-CZ3 4.4Å; L14-W103 VanDerWaalsContact CD2-CD1 3.45Å; L14-W103 HydrophobicContact CD2-CD2 4.29Å; L14-W103 HydrophobicContact CD2-CG 3.94Å; L14-W103 HydrophobicContact CG-CD2 4.17Å; L14-W103 HydrophobicContact CG-CG 4.35Å; L14-W103 HydrophobicContact CG-CZ2 4.09Å |
| 15 | D | 94.6 | Very high | 90 | Very high | 14 Ų | 14 | 58.3 Ų | 58.3 | 8% | 0.075 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 126.2 | 171.6 | -45.2 | -37.9 | 0 | 0 | 0 | 108.4 | F25 L26 R27 L92 Q93 | D15-F25 HydrophobicContact CB-CB 3.95Å; D15-F25 HydrophobicContact CB-CD1 4.5Å; D15-L26 CarbonylContact C-O 3.53Å; D15-L26 WeakPolarHBondContact CA-O 3.34Å; D15-R27 VanDerWaalsContact OD1-CA 3.29Å; D15-R27 WeakPolarHBondContact OD1-CA 3.44Å; D15-R27 WeakPolarHBondContact OD1-CB 3.21Å; D15-R27 WeakPolarHBondContact OD1-CG 3.4Å; D15-R27 IonicContact OD1-CZ 3.37Å; D15-R27 IonicContact OD1-NH1 2.68Å; D15-R27 PolarHBondContact OD1-NH1 3.07Å; D15-R27 IonicContact OD2-NH1 3.27Å; D15-L92 CarbonylContact O-C 3.59Å; D15-L92 VanDerWaalsContact O-CA 3.29Å; D15-L92 WeakPolarHBondContact O-CA 3.3Å; D15-Q93 HydrophobicContact CB-CB 4.15Å; D15-Q93 PolarHBondContact N-O 3.03Å; D15-Q93 PolarHBondContact O-N 3.01Å |
| 16 | I | 94.4 | Very high | 90 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 137.5 | -173.7 | -178.7 | 167.5 | 0 | 0 | 0 | 111 | E18 L26 R28 F30 W41 Y90 L92 | I16-E18 HydrophobicContact CG1-CG 4.48Å; I16-E18 HydrophobicContact CG2-CG 3.94Å; I16-E18 PolarHBondContact O-N 2.98Å; I16-L26 PolarHBondContact N-O 3.15Å; I16-L26 PolarHBondContact O-N 3.08Å; I16-R28 HydrophobicContact CG2-CB 4.2Å; I16-R28 HydrophobicContact CG2-CG 3.6Å; I16-F30 HydrophobicContact CB-CE2 4.39Å; I16-F30 HydrophobicContact CB-CZ 3.88Å; I16-F30 HydrophobicContact CD1-CE1 4.25Å; I16-F30 HydrophobicContact CD1-CZ 3.83Å; I16-F30 HydrophobicContact CG1-CZ 4.43Å; I16-F30 HydrophobicContact CG2-CE2 4.29Å; I16-F30 HydrophobicContact CG2-CZ 3.9Å; I16-W41 HydrophobicContact CD1-CH2 4.43Å; I16-W41 HydrophobicContact CD1-CZ2 4.1Å; I16-Y90 HydrophobicContact CD1-CD1 4.09Å; I16-L92 HydrophobicContact CB-CD2 4.46Å; I16-L92 HydrophobicContact CD1-CD2 4.3Å; I16-L92 HydrophobicContact CD1-CG 4.5Å; I16-L92 HydrophobicContact CG1-CG 4.36Å |
| 17 | E | 92.6 | Very high | 90.2 | Very high | 3 Ų | 3 | 50.3 Ų | 50.3 | 1% | 0.014 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 91.9 | 167.5 | -175.8 | 177.5 | -179.7 | 0 | 0 | 109 | N19 N21 S22 G23 F25 R74 F91 | E17-N19 VanDerWaalsContact C-N 3.3Å; E17-N19 VanDerWaalsContact CG-O 3.22Å; E17-N19 WeakPolarHBondContact CG-O 3.46Å; E17-N19 PolarHBondContact O-N 3.44Å; E17-N21 VanDerWaalsContact OE1-CA 3.28Å; E17-N21 WeakPolarHBondContact OE1-CA 3.12Å; E17-N21 PolarHBondContact OE1-N 3.13Å; E17-S22 WeakPolarHBondContact CG-OG 3.34Å; E17-S22 PolarHBondContact OE1-N 3.37Å; E17-G23 PolarHBondContact OE1-N 2.85Å; E17-F25 HydrophobicContact CB-CD1 4.07Å; E17-F25 HydrophobicContact CB-CE1 3.81Å; E17-F25 HydrophobicContact CB-CZ 4.04Å; E17-R74 IonicContact OE1-CZ 3.55Å; E17-R74 IonicContact OE1-NH2 3.74Å; E17-R74 PolarHBondContact OE1-NH2 2.96Å; E17-R74 IonicContact OE2-CZ 2.88Å; E17-R74 IonicContact OE2-NH2 2.99Å; E17-R74 PolarHBondContact OE2-NH2 2.72Å; E17-F91 HydrophobicContact CB-CB 4.22Å; E17-F91 PolarHBondContact N-O 3.23Å |
| 18 | E | 86.3 | Confident | 90.4 | Very high | 44 Ų | 44 | 45.9 Ų | 45.9 | 21% | 0.206 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -66.6 | -33.9 | -175.1 | -63.7 | -176.8 | 171.4 | 0 | 0 | 112.3 | I16 R28 V56 R88 | I16-E18 HydrophobicContact CG1-CG 4.48Å; I16-E18 HydrophobicContact CG2-CG 3.94Å; I16-E18 PolarHBondContact O-N 2.98Å; E18-R28 IonicContact OE1-CZ 2.72Å; E18-R28 IonicContact OE1-NE 3.61Å; E18-R28 PolarHBondContact OE1-NE 2.79Å; E18-R28 IonicContact OE1-NH2 3.94Å; E18-R28 PolarHBondContact OE1-NH2 2.94Å; E18-R28 IonicContact OE2-NH2 3.13Å; E18-V56 VanDerWaalsContact OE1-CG1 3.28Å; E18-V56 WeakPolarHBondContact OE1-CG1 3.4Å; E18-R88 PolarHBondContact O-NH2 2.89Å |
| 19 | N | 83.7 | Confident | 90.5 | Very high | 115 Ų | 115 | 39.7 Ų | 39.7 | 62% | 0.615 | 21% | 0.207 | S | C | * | . | S | Bend | trans | -104.7 | 115.5 | 176.1 | -65.3 | 84.5 | 0 | 0 | 0 | 109.7 | E17 N21 S22 | E17-N19 VanDerWaalsContact C-N 3.3Å; E17-N19 VanDerWaalsContact CG-O 3.22Å; E17-N19 WeakPolarHBondContact CG-O 3.46Å; E17-N19 PolarHBondContact O-N 3.44Å; N19-N21 PolarHBondContact O-N 3.25Å; N19-S22 VanDerWaalsContact O-CB 3.26Å; N19-S22 WeakPolarHBondContact O-CB 3.41Å; N19-S22 PolarHBondContact O-N 3.08Å; N19-S22 VanDerWaalsContact O-N 3.07Å; N19-S22 PolarHBondContact O-OG 3.12Å |
| 20 | E | 80.6 | Confident | 90.6 | Very high | 90 Ų | 90 | 36.8 Ų | 36.8 | 42% | 0.421 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | 132.5 | -180 | -159.3 | 178.9 | 179.5 | 0 | 0 | 110.7 | S22 | E20-S22 PolarHBondContact O-N 2.95Š|
| 21 | N | 80.4 | Confident | 90.6 | Very high | 123 Ų | 123 | 35.3 Ų | 35.3 | 66% | 0.658 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 66.6 | 7.9 | -178.9 | -53.4 | 101.3 | 0 | 0 | 0 | 116.2 | E17 N19 G23 | E17-N21 VanDerWaalsContact OE1-CA 3.28Å; E17-N21 WeakPolarHBondContact OE1-CA 3.12Å; E17-N21 PolarHBondContact OE1-N 3.13Å; N19-N21 PolarHBondContact O-N 3.25Å; N21-G23 PolarHBondContact O-N 3.39Å |
| 22 | S | 84.3 | Confident | 90.6 | Very high | 61 Ų | 61 | 35.3 Ų | 35.3 | 43% | 0.427 | 19% | 0.189 | S | C | . | . | trans | -66.7 | -28.5 | 173.4 | 65 | 0 | 0 | 0 | 0 | 112.5 | E17 N19 E20 K24 | E17-S22 WeakPolarHBondContact CG-OG 3.34Å; E17-S22 PolarHBondContact OE1-N 3.37Å; N19-S22 VanDerWaalsContact O-CB 3.26Å; N19-S22 WeakPolarHBondContact O-CB 3.41Å; N19-S22 PolarHBondContact O-N 3.08Å; N19-S22 VanDerWaalsContact O-N 3.07Å; N19-S22 PolarHBondContact O-OG 3.12Å; E20-S22 PolarHBondContact O-N 2.95Å; S22-K24 PolarHBondContact O-N 3.32Å; S22-K24 VanDerWaalsContact O-N 3.16Å; S22-K24 PolarHBondContact OG-N 2.95Å | ||
| 23 | G | 81.6 | Confident | 90.6 | Very high | 49 Ų | 49 | 36.2 Ų | 36.2 | 51% | 0.505 | 19% | 0.193 | S | C | . | . | trans | 66.3 | 5.5 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | E17 N21 | E17-G23 PolarHBondContact OE1-N 2.85Å; N21-G23 PolarHBondContact O-N 3.39Å | ||
| 24 | K | 86.3 | Confident | 90.4 | Very high | 83 Ų | 83 | 36.5 Ų | 36.5 | 36% | 0.361 | 20% | 0.199 | S | C | . | . | trans | -100.4 | 120.5 | 178.1 | -179.8 | 167.8 | 176.5 | 147.6 | 0 | 109.2 | S22 D250 | S22-K24 PolarHBondContact O-N 3.32Å; S22-K24 VanDerWaalsContact O-N 3.16Å; S22-K24 PolarHBondContact OG-N 2.95Å; K24-D250 WeakPolarHBondContact CE-OD1 3.34Å; K24-D250 IonicContact NZ-OD1 3.9Å; K24-D250 PolarHBondContact NZ-OD1 2.85Å | ||
| 25 | F | 90.8 | Very high | 90.1 | Very high | 14 Ų | 14 | 46.1 Ų | 46.1 | 6% | 0.061 | 24% | 0.236 | C | C | . | . | trans | -99.8 | 138.5 | 176.6 | -71.5 | -95.9 | 0 | 0 | 0 | 109.7 | D15 E17 A77 F91 Q93 M253 | D15-F25 HydrophobicContact CB-CB 3.95Å; D15-F25 HydrophobicContact CB-CD1 4.5Å; E17-F25 HydrophobicContact CB-CD1 4.07Å; E17-F25 HydrophobicContact CB-CE1 3.81Å; E17-F25 HydrophobicContact CB-CZ 4.04Å; F25-A77 HydrophobicContact CE2-CB 4.03Å; F25-A77 HydrophobicContact CZ-CB 3.99Å; F25-F91 HydrophobicContact CE1-CB 4.13Å; F25-F91 HydrophobicContact CZ-CB 4.2Å; F25-Q93 HydrophobicContact CD1-CB 4.17Å; F25-Q93 HydrophobicContact CE1-CB 4.31Å; F25-M253 HydrophobicContact CB-CE 4.36Å; F25-M253 HydrophobicContact CB-SD 3.86Å | ||
| 26 | L | 91.6 | Very high | 90 | Very high | 16 Ų | 16 | 52 Ų | 52 | 8% | 0.084 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 129.2 | 177.1 | -66 | 175.5 | 0 | 0 | 0 | 108.9 | D15 I16 R28 M253 D255 | D15-L26 CarbonylContact C-O 3.53Å; D15-L26 WeakPolarHBondContact CA-O 3.34Å; I16-L26 PolarHBondContact N-O 3.15Å; I16-L26 PolarHBondContact O-N 3.08Å; L26-R28 PolarHBondContact O-N 3.49Å; L26-M253 WeakPolarHBondContact CA-O 3.44Å; L26-D255 HydrophobicContact CD1-CB 4.22Å; L26-D255 HydrophobicContact CD2-CB 4.05Å |
| 27 | R | 92.9 | Very high | 89.9 | Confident | 63 Ų | 63 | 53.7 Ų | 53.7 | 24% | 0.238 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 121 | 177.9 | -173.2 | 164.1 | -165.4 | 91.5 | -9.6 | 109.7 | F13 D15 N95 M253 | F13-R27 HydrophobicContact CD1-CG 4.01Å; D15-R27 VanDerWaalsContact OD1-CA 3.29Å; D15-R27 WeakPolarHBondContact OD1-CA 3.44Å; D15-R27 WeakPolarHBondContact OD1-CB 3.21Å; D15-R27 WeakPolarHBondContact OD1-CG 3.4Å; D15-R27 IonicContact OD1-CZ 3.37Å; D15-R27 IonicContact OD1-NH1 2.68Å; D15-R27 PolarHBondContact OD1-NH1 3.07Å; D15-R27 IonicContact OD2-NH1 3.27Å; R27-N95 PolarHBondContact NH1-OD1 2.86Å; R27-N95 PolarHBondContact NH2-OD1 3.31Å; R27-M253 HydrophobicContact CB-CB 3.99Å; R27-M253 PolarHBondContact N-O 3.01Å |
| 28 | R | 94.1 | Very high | 90 | Very high | 2 Ų | 2 | 54.7 Ų | 54.7 | 1% | 0.008 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 153.2 | -180 | -58.7 | -64.1 | -173.9 | -139.8 | 11.6 | 110.7 | F13 L14 I16 E18 L26 F30 W41 Y42 D255 | F13-R28 WeakPolarHBondContact CA-O 3.44Å; L14-R28 PolarHBondContact N-O 3.21Å; L14-R28 VanDerWaalsContact N-O 3.08Å; L14-R28 PolarHBondContact O-N 2.95Å; L14-R28 VanDerWaalsContact O-O 3.08Å; I16-R28 HydrophobicContact CG2-CB 4.2Å; I16-R28 HydrophobicContact CG2-CG 3.6Å; E18-R28 IonicContact OE1-CZ 2.72Å; E18-R28 IonicContact OE1-NE 3.61Å; E18-R28 PolarHBondContact OE1-NE 2.79Å; E18-R28 IonicContact OE1-NH2 3.94Å; E18-R28 PolarHBondContact OE1-NH2 2.94Å; E18-R28 IonicContact OE2-NH2 3.13Å; L26-R28 PolarHBondContact O-N 3.49Å; R28-F30 HydrophobicContact CB-CD2 4.28Å; R28-F30 HydrophobicContact CB-CE2 3.71Å; R28-F30 HydrophobicContact CB-CZ 4.3Å; R28-W41 HydrophobicContact CB-CB 4.07Å; R28-W41 HydrophobicContact CB-CG 4.22Å; R28-Y42 WeakPolarHBondContact CA-O 3.43Å; R28-Y42 WeakPolarHBondContact CB-O 3.48Å; R28-D255 IonicContact CZ-OD1 2.7Å; R28-D255 IonicContact CZ-OD2 3.2Å; R28-D255 IonicContact NH1-OD1 2.58Å; R28-D255 PolarHBondContact NH1-OD1 2.88Å; R28-D255 IonicContact NH1-OD2 2.82Å; R28-D255 VanDerWaalsContact NH2-CG 3.33Å; R28-D255 IonicContact NH2-OD1 2.79Å; R28-D255 PolarHBondContact NH2-OD1 3Å; R28-D255 IonicContact NH2-OD2 3.45Å; R28-D255 PolarHBondContact NH2-OD2 2.85Å |
| 29 | Y | 93.8 | Very high | 90.4 | Very high | 3 Ų | 3 | 52.6 Ų | 52.6 | 1% | 0.012 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 113.1 | 174.1 | -172.7 | -90.7 | 0 | 0 | 0 | 109.5 | Y3 C11 F13 I31 W41 Y42 D44 N45 | Y3-Y29 HydrophobicContact CE1-CE2 4.49Å; Y3-Y29 PolarHBondContact OH-OH 2.76Å; C11-Y29 HydrophobicContact CB-CE1 4.02Å; C11-Y29 VanDerWaalsContact CB-OH 3.24Å; C11-Y29 WeakPolarHBondContact CB-OH 3.45Å; F13-Y29 HydrophobicContact CD1-CD2 4.12Å; F13-Y29 AromaticContact CD2-CD2 3.94Å; F13-Y29 HydrophobicContact CD2-CD2 3.94Å; F13-Y29 HydrophobicContact CD2-CE2 4.44Å; F13-Y29 AromaticContact CE1-CD2 3.88Å; F13-Y29 HydrophobicContact CE1-CD2 3.88Å; F13-Y29 HydrophobicContact CE1-CG 4.37Å; F13-Y29 AromaticContact CE2-CD2 3.67Å; F13-Y29 HydrophobicContact CE2-CD2 3.67Å; F13-Y29 HydrophobicContact CE2-CE2 4.15Å; F13-Y29 HydrophobicContact CG-CD2 4.16Å; F13-Y29 AromaticContact CZ-CD2 3.65Å; F13-Y29 HydrophobicContact CZ-CD2 3.65Å; F13-Y29 HydrophobicContact CZ-CE2 4.46Å; F13-Y29 HydrophobicContact CZ-CG 4.46Å; Y29-I31 HydrophobicContact CD1-CD1 4.33Å; Y29-I31 HydrophobicContact CD1-CG1 3.94Å; Y29-I31 HydrophobicContact CE1-CD1 4.01Å; Y29-I31 HydrophobicContact CE1-CG1 3.69Å; Y29-W41 CarbonylContact O-C 3.56Å; Y29-W41 WeakPolarHBondContact O-CA 3.46Å; Y29-Y42 PolarHBondContact N-O 2.82Å; Y29-Y42 PolarHBondContact O-N 2.94Å; Y29-D44 WeakPolarHBondContact CB-O 3.39Å; Y29-N45 HydrophobicContact CD1-CB 4.32Å; Y29-N45 HydrophobicContact CD2-CB 3.86Å; Y29-N45 HydrophobicContact CE1-CB 4.28Å; Y29-N45 HydrophobicContact CE2-CB 3.82Å; Y29-N45 HydrophobicContact CG-CB 4.09Å |
| 30 | F | 96.7 | Very high | 91 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 144.9 | -178.7 | -73.5 | -96.9 | 0 | 0 | 0 | 111.4 | C11 G12 L14 I16 R28 F39 V40 W41 L92 W103 | C11-F30 VanDerWaalsContact CA-O 3.23Å; C11-F30 WeakPolarHBondContact CA-O 3.25Å; G12-F30 PolarHBondContact N-O 3.34Å; G12-F30 PolarHBondContact O-N 2.97Å; L14-F30 HydrophobicContact CB-CD2 3.66Å; L14-F30 HydrophobicContact CB-CE2 3.62Å; L14-F30 HydrophobicContact CD1-CD2 4Å; 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 4.39Å; I16-F30 HydrophobicContact CB-CZ 3.88Å; I16-F30 HydrophobicContact CD1-CE1 4.25Å; I16-F30 HydrophobicContact CD1-CZ 3.83Å; I16-F30 HydrophobicContact CG1-CZ 4.43Å; I16-F30 HydrophobicContact CG2-CE2 4.29Å; I16-F30 HydrophobicContact CG2-CZ 3.9Å; R28-F30 HydrophobicContact CB-CD2 4.28Å; R28-F30 HydrophobicContact CB-CE2 3.71Å; R28-F30 HydrophobicContact CB-CZ 4.3Å; F30-F39 HydrophobicContact CB-CE2 3.85Å; F30-F39 HydrophobicContact CB-CZ 3.99Å; F30-F39 HydrophobicContact CD1-CD1 4.2Å; F30-F39 HydrophobicContact CD1-CD2 4.4Å; F30-F39 AromaticContact CD1-CE1 3.47Å; F30-F39 HydrophobicContact CD1-CE1 3.47Å; F30-F39 VanDerWaalsContact CD1-CE1 3.47Å; F30-F39 AromaticContact CD1-CE2 3.7Å; F30-F39 HydrophobicContact CD1-CE2 3.7Å; F30-F39 AromaticContact CD1-CZ 3.18Å; F30-F39 HydrophobicContact CD1-CZ 3.18Å; F30-F39 HydrophobicContact CE1-CD1 4.48Å; F30-F39 AromaticContact CE1-CE1 3.75Å; F30-F39 HydrophobicContact CE1-CE1 3.75Å; F30-F39 AromaticContact CE1-CZ 3.91Å; F30-F39 HydrophobicContact CE1-CZ 3.91Å; F30-F39 HydrophobicContact CG-CE1 4.5Å; F30-F39 HydrophobicContact CG-CE2 4.17Å; F30-F39 AromaticContact CG-CZ 3.83Å; F30-F39 HydrophobicContact CG-CZ 3.83Å; F30-V40 CarbonylContact C-O 3.6Å; F30-V40 WeakPolarHBondContact CA-O 3.5Å; F30-W41 HydrophobicContact CD1-CB 3.6Å; F30-W41 HydrophobicContact CD1-CD2 4.34Å; F30-W41 HydrophobicContact CD1-CE3 4.06Å; F30-W41 HydrophobicContact CD1-CG 4.21Å; F30-W41 HydrophobicContact CD2-CB 4.11Å; F30-W41 HydrophobicContact CE1-CB 3.6Å; F30-W41 AromaticContact CE1-CD2 3.64Å; F30-W41 HydrophobicContact CE1-CD2 3.64Å; F30-W41 AromaticContact CE1-CE3 3.52Å; F30-W41 HydrophobicContact CE1-CE3 3.52Å; F30-W41 AromaticContact CE1-CG 3.72Å; F30-W41 HydrophobicContact CE1-CG 3.72Å; F30-W41 HydrophobicContact CE1-CZ3 4.37Å; F30-W41 HydrophobicContact CE2-CB 4.11Å; F30-W41 HydrophobicContact CE2-CG 4.47Å; F30-W41 HydrophobicContact CG-CB 3.86Å; F30-W41 HydrophobicContact CZ-CB 3.85Å; F30-W41 HydrophobicContact CZ-CD2 4.07Å; F30-W41 HydrophobicContact CZ-CE3 4.37Å; F30-W41 AromaticContact CZ-CG 3.86Å; F30-W41 HydrophobicContact CZ-CG 3.86Å; F30-L92 HydrophobicContact CE1-CD2 3.84Å; F30-L92 HydrophobicContact CE2-CD2 4.22Å; F30-L92 HydrophobicContact CZ-CD2 3.65Å; F30-W103 HydrophobicContact CB-CH2 3.79Å; F30-W103 HydrophobicContact CB-CZ2 4.33Å |
| 31 | I | 96.4 | Very high | 91.7 | Very high | 5 Ų | 5 | 44 Ų | 44 | 3% | 0.026 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 117.4 | 171.9 | -57.6 | -177.4 | 0 | 0 | 0 | 107.1 | R9 Y29 V40 Y42 P46 | R9-I31 HydrophobicContact CB-CG2 4.1Å; Y29-I31 HydrophobicContact CD1-CD1 4.33Å; Y29-I31 HydrophobicContact CD1-CG1 3.94Å; Y29-I31 HydrophobicContact CE1-CD1 4.01Å; Y29-I31 HydrophobicContact CE1-CG1 3.69Å; I31-V40 HydrophobicContact CB-CG2 3.9Å; I31-V40 PolarHBondContact N-O 3.19Å; I31-V40 PolarHBondContact O-N 3.24Å; I31-Y42 HydrophobicContact CD1-CD2 4.35Å; I31-Y42 HydrophobicContact CD1-CE2 4.1Å; I31-P46 HydrophobicContact CD1-CG 3.76Å |
| 32 | L | 95.9 | Very high | 92.2 | Very high | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 107.7 | 172.8 | 172.8 | 60.7 | 0 | 0 | 0 | 108.6 | I10 T34 F39 L61 V106 L107 A110 | I10-L32 HydrophobicContact CB-CB 4.12Å; I10-L32 HydrophobicContact CB-CD2 4.27Å; I10-L32 HydrophobicContact CB-CG 4.48Å; I10-L32 HydrophobicContact CD1-CD2 4.25Å; I10-L32 PolarHBondContact N-O 3.15Å; I10-L32 WeakPolarHBondContact O-CB 3.33Å; I10-L32 PolarHBondContact O-N 3.47Å; L32-T34 HydrophobicContact CG-CG2 4.49Å; L32-F39 HydrophobicContact CB-CD2 3.75Å; L32-F39 HydrophobicContact CB-CE2 4.01Å; L32-F39 HydrophobicContact CD1-CB 4.45Å; L32-F39 HydrophobicContact CD1-CD2 4.01Å; L32-F39 HydrophobicContact CG-CD2 4.45Å; L32-L61 HydrophobicContact CD1-CD1 3.92Å; L32-L61 HydrophobicContact CD1-CD2 3.3Å; L32-L61 HydrophobicContact CD1-CG 4.24Å; L32-V106 HydrophobicContact CD2-CB 4.4Å; L32-V106 HydrophobicContact CD2-CG2 4.19Å; L32-L107 HydrophobicContact CD1-CD2 4.19Å; L32-L107 HydrophobicContact CD2-CD2 3.99Å; L32-L107 HydrophobicContact CD2-CG 4.48Å; L32-A110 HydrophobicContact CD1-CB 4.03Å; L32-A110 HydrophobicContact CD2-CB 4Å; L32-A110 HydrophobicContact CG-CB 4.41Å |
| 33 | D | 94.6 | Very high | 92.3 | Very high | 20 Ų | 20 | 38.4 Ų | 38.4 | 11% | 0.107 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 104 | 175.1 | -164.9 | -33 | 0 | 0 | 0 | 109.5 | R9 R35 E36 D37 S38 | R9-D33 WeakPolarHBondContact CD-OD2 3.35Å; R9-D33 HydrophobicContact CG-CB 4.25Å; D33-R35 VanDerWaalsContact C-N 3.25Å; D33-R35 PolarHBondContact O-N 3.29Å; D33-R35 WeakPolarHBondContact OD1-CA 3.31Å; D33-R35 WeakPolarHBondContact OD1-CB 3.37Å; D33-R35 PolarHBondContact OD1-N 3.33Å; D33-E36 HydrophobicContact CB-CB 4.24Å; D33-E36 PolarHBondContact OD1-N 3.37Å; D33-E36 VanDerWaalsContact OD1-N 3.09Å; D33-D37 PolarHBondContact O-N 3.01Å; D33-S38 PolarHBondContact N-O 3.31Å; D33-S38 PolarHBondContact O-N 3.17Å |
| 34 | T | 91.1 | Very high | 92.5 | Very high | 60 Ų | 60 | 36.4 Ų | 36.4 | 37% | 0.368 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -17.3 | 178.5 | 56.9 | 0 | 0 | 0 | 0 | 113.1 | L32 L61 A110 | L32-T34 HydrophobicContact CG-CG2 4.49Å; T34-L61 HydrophobicContact CG2-CD1 4.45Å; T34-A110 HydrophobicContact CG2-CB 3.71Å |
| 35 | R | 90.1 | Very high | 92.6 | Very high | 202 Ų | 202 | 33.4 Ų | 33.4 | 76% | 0.762 | 15% | 0.153 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | -39.4 | 179.7 | -59.4 | 174 | 61.4 | -162.6 | -3.4 | 110.5 | D33 | D33-R35 VanDerWaalsContact C-N 3.25Å; D33-R35 PolarHBondContact O-N 3.29Å; D33-R35 WeakPolarHBondContact OD1-CA 3.31Å; D33-R35 WeakPolarHBondContact OD1-CB 3.37Å; D33-R35 PolarHBondContact OD1-N 3.33Å |
| 36 | E | 91.1 | Very high | 92.4 | Very high | 139 Ų | 139 | 34.7 Ų | 34.7 | 65% | 0.65 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.8 | 8.8 | -179.1 | -64.2 | -64.2 | 130.9 | 0 | 0 | 113.7 | D33 S38 | D33-E36 HydrophobicContact CB-CB 4.24Å; D33-E36 PolarHBondContact OD1-N 3.37Å; D33-E36 VanDerWaalsContact OD1-N 3.09Å; E36-S38 PolarHBondContact O-N 3.48Å |
| 37 | D | 92.3 | Very high | 91.9 | Very high | 34 Ų | 34 | 40.1 Ų | 40.1 | 18% | 0.182 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.7 | 43.2 | -175.8 | -176.8 | 38.9 | 0 | 0 | 0 | 112.1 | D33 K60 L61 T62 | D33-D37 PolarHBondContact O-N 3.01Å; D37-K60 VanDerWaalsContact O-CA 3.23Å; D37-K60 WeakPolarHBondContact O-CA 3.44Å; D37-L61 PolarHBondContact O-N 3.46Å; D37-L61 VanDerWaalsContact OD1-CA 3.29Å; D37-L61 WeakPolarHBondContact OD1-CA 3.49Å; D37-L61 WeakPolarHBondContact OD1-CB 3.36Å; D37-L61 PolarHBondContact OD1-N 2.78Å; D37-T62 PolarHBondContact OD1-N 2.85Å; D37-T62 WeakPolarHBondContact OD2-CB 3.42Å; D37-T62 WeakPolarHBondContact OD2-CG2 3.19Å; D37-T62 PolarHBondContact OD2-OG1 2.97Å |
| 38 | S | 94.5 | Very high | 91.1 | Very high | 25 Ų | 25 | 41 Ų | 41 | 18% | 0.175 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 134.3 | -171.8 | 78.4 | 0 | 0 | 0 | 0 | 113.8 | D33 E36 | D33-S38 PolarHBondContact N-O 3.31Å; D33-S38 PolarHBondContact O-N 3.17Å; E36-S38 PolarHBondContact O-N 3.48Å |
| 39 | F | 95.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 103 | 166.9 | -169.2 | -131.8 | 0 | 0 | 0 | 108.1 | F30 L32 A58 I59 L61 M83 L92 W103 L107 | F30-F39 HydrophobicContact CB-CE2 3.85Å; F30-F39 HydrophobicContact CB-CZ 3.99Å; F30-F39 HydrophobicContact CD1-CD1 4.2Å; F30-F39 HydrophobicContact CD1-CD2 4.4Å; F30-F39 AromaticContact CD1-CE1 3.47Å; F30-F39 HydrophobicContact CD1-CE1 3.47Å; F30-F39 VanDerWaalsContact CD1-CE1 3.47Å; F30-F39 AromaticContact CD1-CE2 3.7Å; F30-F39 HydrophobicContact CD1-CE2 3.7Å; F30-F39 AromaticContact CD1-CZ 3.18Å; F30-F39 HydrophobicContact CD1-CZ 3.18Å; F30-F39 HydrophobicContact CE1-CD1 4.48Å; F30-F39 AromaticContact CE1-CE1 3.75Å; F30-F39 HydrophobicContact CE1-CE1 3.75Å; F30-F39 AromaticContact CE1-CZ 3.91Å; F30-F39 HydrophobicContact CE1-CZ 3.91Å; F30-F39 HydrophobicContact CG-CE1 4.5Å; F30-F39 HydrophobicContact CG-CE2 4.17Å; F30-F39 AromaticContact CG-CZ 3.83Å; F30-F39 HydrophobicContact CG-CZ 3.83Å; L32-F39 HydrophobicContact CB-CD2 3.75Å; L32-F39 HydrophobicContact CB-CE2 4.01Å; L32-F39 HydrophobicContact CD1-CB 4.45Å; L32-F39 HydrophobicContact CD1-CD2 4.01Å; L32-F39 HydrophobicContact CG-CD2 4.45Å; F39-A58 WeakPolarHBondContact O-CA 3.27Å; F39-I59 WeakPolarHBondContact CA-O 3.46Å; F39-I59 PolarHBondContact N-O 2.76Å; F39-I59 PolarHBondContact O-N 2.87Å; F39-L61 HydrophobicContact CB-CD2 3.73Å; F39-M83 HydrophobicContact CD1-CE 4.06Å; F39-M83 HydrophobicContact CD1-SD 3.97Å; F39-M83 HydrophobicContact CE1-CE 4.11Å; F39-M83 HydrophobicContact CE1-SD 4.06Å; F39-L92 HydrophobicContact CE1-CD2 4.47Å; F39-W103 HydrophobicContact CE2-CH2 4.31Å; F39-W103 AromaticContact CE2-CZ3 3.75Å; F39-W103 HydrophobicContact CE2-CZ3 3.75Å; F39-W103 HydrophobicContact CZ-CZ3 4.06Å; F39-L107 HydrophobicContact CD1-CD2 4.31Å; F39-L107 HydrophobicContact CD2-CD2 4.1Å; F39-L107 HydrophobicContact CE1-CD2 4.14Å; F39-L107 HydrophobicContact CE2-CD2 3.93Å; F39-L107 HydrophobicContact CG-CD2 4.28Å; F39-L107 HydrophobicContact CZ-CD1 4.31Å; F39-L107 HydrophobicContact CZ-CD2 3.93Å |
| 40 | V | 95.8 | Very high | 88.8 | Confident | 10 Ų | 10 | 43.3 Ų | 43.3 | 6% | 0.061 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 154.4 | -174.2 | -59 | 0 | 0 | 0 | 0 | 110.1 | F30 I31 Y42 G57 A58 | F30-V40 CarbonylContact C-O 3.6Å; F30-V40 WeakPolarHBondContact CA-O 3.5Å; I31-V40 HydrophobicContact CB-CG2 3.9Å; I31-V40 PolarHBondContact N-O 3.19Å; I31-V40 PolarHBondContact O-N 3.24Å; V40-Y42 HydrophobicContact CB-CE2 4.48Å; V40-Y42 HydrophobicContact CG2-CE2 3.8Å; V40-G57 WeakPolarHBondContact CA-O 3.44Å; V40-A58 HydrophobicContact CG1-CB 3.81Å |
| 41 | W | 95.1 | Very high | 87.5 | Confident | 14 Ų | 14 | 49.6 Ų | 49.6 | 5% | 0.053 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 152.5 | 173.9 | 62.6 | 95.2 | 0 | 0 | 0 | 112.9 | I16 R28 Y29 F30 V56 G57 I59 | I16-W41 HydrophobicContact CD1-CH2 4.43Å; I16-W41 HydrophobicContact CD1-CZ2 4.1Å; R28-W41 HydrophobicContact CB-CB 4.07Å; R28-W41 HydrophobicContact CB-CG 4.22Å; Y29-W41 CarbonylContact O-C 3.56Å; Y29-W41 WeakPolarHBondContact O-CA 3.46Å; F30-W41 HydrophobicContact CD1-CB 3.6Å; F30-W41 HydrophobicContact CD1-CD2 4.34Å; F30-W41 HydrophobicContact CD1-CE3 4.06Å; F30-W41 HydrophobicContact CD1-CG 4.21Å; F30-W41 HydrophobicContact CD2-CB 4.11Å; F30-W41 HydrophobicContact CE1-CB 3.6Å; F30-W41 AromaticContact CE1-CD2 3.64Å; F30-W41 HydrophobicContact CE1-CD2 3.64Å; F30-W41 AromaticContact CE1-CE3 3.52Å; F30-W41 HydrophobicContact CE1-CE3 3.52Å; F30-W41 AromaticContact CE1-CG 3.72Å; F30-W41 HydrophobicContact CE1-CG 3.72Å; F30-W41 HydrophobicContact CE1-CZ3 4.37Å; F30-W41 HydrophobicContact CE2-CB 4.11Å; F30-W41 HydrophobicContact CE2-CG 4.47Å; F30-W41 HydrophobicContact CG-CB 3.86Å; F30-W41 HydrophobicContact CZ-CB 3.85Å; F30-W41 HydrophobicContact CZ-CD2 4.07Å; F30-W41 HydrophobicContact CZ-CE3 4.37Å; F30-W41 AromaticContact CZ-CG 3.86Å; F30-W41 HydrophobicContact CZ-CG 3.86Å; W41-V56 PolarHBondContact O-N 3.25Å; W41-G57 VanDerWaalsContact CE2-CA 3.47Å; W41-G57 VanDerWaalsContact CZ2-CA 3.5Å; W41-G57 PolarHBondContact N-O 2.78Å; W41-G57 PolarHBondContact O-N 2.77Å; W41-I59 HydrophobicContact CH2-CD1 3.68Å; W41-I59 HydrophobicContact CH2-CG1 3.87Å; W41-I59 HydrophobicContact CZ3-CB 4.46Å; W41-I59 HydrophobicContact CZ3-CD1 3.68Å; W41-I59 HydrophobicContact CZ3-CG1 3.79Å |
| 42 | Y | 91.9 | Very high | 86.4 | Confident | 46 Ų | 46 | 53.3 Ų | 53.3 | 18% | 0.18 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 163.3 | -175.7 | -66.9 | -97.6 | 0 | 0 | 0 | 109.9 | R28 Y29 I31 V40 D44 P46 L49 R55 | R28-Y42 WeakPolarHBondContact CA-O 3.43Å; R28-Y42 WeakPolarHBondContact CB-O 3.48Å; Y29-Y42 PolarHBondContact N-O 2.82Å; Y29-Y42 PolarHBondContact O-N 2.94Å; I31-Y42 HydrophobicContact CD1-CD2 4.35Å; I31-Y42 HydrophobicContact CD1-CE2 4.1Å; V40-Y42 HydrophobicContact CB-CE2 4.48Å; V40-Y42 HydrophobicContact CG2-CE2 3.8Å; Y42-D44 WeakPolarHBondContact CB-O 3.41Å; Y42-D44 PolarHBondContact O-N 2.78Å; Y42-P46 HydrophobicContact CD1-CG 3.98Å; Y42-P46 HydrophobicContact CD2-CG 3.46Å; Y42-P46 VanDerWaalsContact CD2-CG 3.46Å; Y42-P46 HydrophobicContact CE1-CG 4.16Å; Y42-P46 HydrophobicContact CE2-CG 3.66Å; Y42-P46 HydrophobicContact CG-CG 3.63Å; Y42-L49 HydrophobicContact CD1-CD1 4.24Å; Y42-R55 HydrophobicContact CD1-CB 4.13Å; Y42-R55 HydrophobicContact CE1-CB 3.72Å; Y42-R55 HydrophobicContact CE2-CB 4.2Å |
| 43 | M | 85.9 | Confident | 85.5 | Confident | 21 Ų | 21 | 54.7 Ų | 54.7 | 10% | 0.103 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -60.6 | -28.6 | 175.4 | -62.5 | -175.8 | 75.3 | 0 | 0 | 112.4 | V56 R254 Q270 | M43-V56 HydrophobicContact CB-CG2 4.35Å; M43-V56 HydrophobicContact CG-CG2 3.43Å; M43-V56 VanDerWaalsContact CG-CG2 3.43Å; M43-R254 PolarHBondContact O-NH1 3.15Å; M43-Q270 HydrophobicContact CE-CG 3.81Å |
| 44 | D | 86.3 | Confident | 84.9 | Confident | 6 Ų | 6 | 58.6 Ų | 58.6 | 3% | 0.032 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -156.4 | -179.5 | 175.3 | -145.4 | -66.5 | 0 | 0 | 0 | 108.8 | F13 Y29 Y42 P46 L49 W208 R254 | F13-D44 WeakPolarHBondContact CZ-OD1 3.44Å; Y29-D44 WeakPolarHBondContact CB-O 3.39Å; Y42-D44 WeakPolarHBondContact CB-O 3.41Å; Y42-D44 PolarHBondContact O-N 2.78Å; D44-P46 WeakPolarHBondContact O-CD 3.3Å; D44-L49 HydrophobicContact CB-CD2 4.06Å; D44-L49 HydrophobicContact CB-CG 4.42Å; D44-W208 WeakPolarHBondContact OD2-CB 3.38Å; D44-R254 IonicContact OD2-CZ 2.82Å; D44-R254 IonicContact OD2-NH1 3.38Å; D44-R254 PolarHBondContact OD2-NH1 3.1Å; D44-R254 IonicContact OD2-NH2 2.83Å; D44-R254 PolarHBondContact OD2-NH2 2.75Å |
| 45 | N | 87.4 | Confident | 84.9 | Confident | 20 Ų | 20 | 62.4 Ų | 62.4 | 11% | 0.107 | 34% | 0.342 | C | S | . | . | trans | -54.5 | 124.4 | 174.4 | -178 | -22 | 0 | 0 | 0 | 109.9 | Y29 Q47 N48 L49 | Y29-N45 HydrophobicContact CD1-CB 4.32Å; Y29-N45 HydrophobicContact CD2-CB 3.86Å; Y29-N45 HydrophobicContact CE1-CB 4.28Å; Y29-N45 HydrophobicContact CE2-CB 3.82Å; Y29-N45 HydrophobicContact CG-CB 4.09Å; N45-Q47 PolarHBondContact O-N 2.7Å; N45-Q47 WeakPolarHBondContact OD1-CB 3.49Å; N45-Q47 PolarHBondContact OD1-N 3.06Å; N45-N48 WeakPolarHBondContact O-CA 3.13Å; N45-N48 WeakPolarHBondContact O-CB 3.33Å; N45-N48 PolarHBondContact O-N 3.12Å; N45-L49 PolarHBondContact O-N 2.73Å | ||
| 46 | P | 86.2 | Confident | 84.9 | Confident | 41 Ų | 41 | 55.3 Ų | 55.3 | 27% | 0.266 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | -54.2 | -26.7 | -179.7 | -31.3 | 38.4 | 0 | 0 | 0 | 115 | I31 Y42 D44 N48 L49 | I31-P46 HydrophobicContact CD1-CG 3.76Å; Y42-P46 HydrophobicContact CD1-CG 3.98Å; Y42-P46 HydrophobicContact CD2-CG 3.46Å; Y42-P46 VanDerWaalsContact CD2-CG 3.46Å; Y42-P46 HydrophobicContact CE1-CG 4.16Å; Y42-P46 HydrophobicContact CE2-CG 3.66Å; Y42-P46 HydrophobicContact CG-CG 3.63Å; D44-P46 WeakPolarHBondContact O-CD 3.3Å; P46-N48 PolarHBondContact O-N 2.88Å; P46-L49 PolarHBondContact O-N 2.83Å; P46-L49 VanDerWaalsContact O-N 3.13Å |
| 47 | Q | 81.8 | Confident | 85 | Confident | 131 Ų | 131 | 49.4 Ų | 49.4 | 61% | 0.612 | 30% | 0.297 | S | S | * | . | G | 310 helix | trans | -68 | -23.3 | 174.3 | -61.5 | -177.8 | 12.6 | 0 | 0 | 113 | N45 | N45-Q47 PolarHBondContact O-N 2.7Å; N45-Q47 WeakPolarHBondContact OD1-CB 3.49Å; N45-Q47 PolarHBondContact OD1-N 3.06Å |
| 48 | N | 75.7 | Confident | 85.1 | Confident | 80 Ų | 80 | 50 Ų | 50 | 43% | 0.428 | 31% | 0.307 | S | S | . | . | G | 310 helix | trans | -91 | -5 | 174.4 | -64.3 | -30 | 0 | 0 | 0 | 112.5 | N45 P46 R210 | N45-N48 WeakPolarHBondContact O-CA 3.13Å; N45-N48 WeakPolarHBondContact O-CB 3.33Å; N45-N48 PolarHBondContact O-N 3.12Å; P46-N48 PolarHBondContact O-N 2.88Å; N48-R210 WeakPolarHBondContact O-CB 3.4Å |
| 49 | L | 73.8 | Confident | 85.1 | Confident | 20 Ų | 20 | 49.3 Ų | 49.3 | 11% | 0.105 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -103.7 | 155 | -179.2 | -60.3 | 179.1 | 0 | 0 | 0 | 110.5 | Y42 D44 N45 P46 V199 | Y42-L49 HydrophobicContact CD1-CD1 4.24Å; D44-L49 HydrophobicContact CB-CD2 4.06Å; D44-L49 HydrophobicContact CB-CG 4.42Å; N45-L49 PolarHBondContact O-N 2.73Å; P46-L49 PolarHBondContact O-N 2.83Å; P46-L49 VanDerWaalsContact O-N 3.13Å; L49-V199 HydrophobicContact CD2-CG2 4.41Å |
| 50 | P | 65.5 | Low | 85 | Confident | 35 Ų | 35 | 54.5 Ų | 54.5 | 23% | 0.227 | 32% | 0.323 | C | S | . | . | P | Polyproline II helix | trans | -57.5 | 146.5 | 174.2 | -25.2 | 31.9 | 0 | 0 | 0 | 111.8 | G52 S53 Y197 R210 | P50-G52 PolarHBondContact O-N 3.31Å; P50-S53 VanDerWaalsContact CD-OG 3.29Å; P50-S53 WeakPolarHBondContact CD-OG 3.45Å; P50-S53 WeakPolarHBondContact O-CB 3.35Å; P50-S53 PolarHBondContact O-N 2.84Å; P50-S53 PolarHBondContact O-OG 2.81Å; P50-Y197 HydrophobicContact CG-CD1 4.14Å; P50-Y197 HydrophobicContact CG-CD2 4.5Å; P50-Y197 HydrophobicContact CG-CE1 4.48Å; P50-Y197 HydrophobicContact CG-CG 4.15Å; P50-R210 HydrophobicContact CG-CG 3.96Å |
| 51 | S | 70.3 | Confident | 84.8 | Confident | 131 Ų | 131 | 54 Ų | 54 | 92% | 0.916 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.6 | 126.3 | 169.5 | -57.9 | 0 | 0 | 0 | 0 | 110.5 | ||
| 52 | G | 72.5 | Confident | 84.6 | Confident | 84 Ų | 84 | 57 Ų | 57 | 87% | 0.866 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.2 | 5.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | P50 S54 | P50-G52 PolarHBondContact O-N 3.31Å; G52-S54 PolarHBondContact O-N 2.88Å |
| 53 | S | 77.6 | Confident | 84.7 | Confident | 30 Ų | 30 | 61.4 Ų | 61.4 | 21% | 0.21 | 36% | 0.358 | C | S | . | . | P | Polyproline II helix | trans | -56 | 129.7 | 172.8 | -63 | 0 | 0 | 0 | 0 | 111 | P50 | P50-S53 VanDerWaalsContact CD-OG 3.29Å; P50-S53 WeakPolarHBondContact CD-OG 3.45Å; P50-S53 WeakPolarHBondContact O-CB 3.35Å; P50-S53 PolarHBondContact O-N 2.84Å; P50-S53 PolarHBondContact O-OG 2.81Å |
| 54 | S | 82.5 | Confident | 85.1 | Confident | 102 Ų | 102 | 60.9 Ų | 60.9 | 71% | 0.713 | 36% | 0.355 | S | S | * | . | P | Polyproline II helix | trans | -67.2 | 146.5 | 178.1 | 51.6 | 0 | 0 | 0 | 0 | 110.7 | G52 | G52-S54 PolarHBondContact O-N 2.88Š|
| 55 | R | 90.5 | Very high | 85.4 | Confident | 139 Ų | 139 | 64.8 Ų | 64.8 | 53% | 0.525 | 38% | 0.383 | S | S | . | . | P | Polyproline II helix | trans | -68.5 | 143.2 | 164.9 | 59.4 | -169 | 176 | 179.3 | -6.3 | 109.4 | Y42 | Y42-R55 HydrophobicContact CD1-CB 4.13Å; Y42-R55 HydrophobicContact CE1-CB 3.72Å; Y42-R55 HydrophobicContact CE2-CB 4.2Å |
| 56 | V | 90.6 | Very high | 85.7 | Confident | 54 Ų | 54 | 69.3 Ų | 69.3 | 33% | 0.327 | 40% | 0.402 | S | S | . | . | S | Bend | trans | -72.4 | -39.4 | 175.8 | 177.7 | 0 | 0 | 0 | 0 | 109.9 | E18 W41 M43 | E18-V56 VanDerWaalsContact OE1-CG1 3.28Å; E18-V56 WeakPolarHBondContact OE1-CG1 3.4Å; W41-V56 PolarHBondContact O-N 3.25Å; M43-V56 HydrophobicContact CB-CG2 4.35Å; M43-V56 HydrophobicContact CG-CG2 3.43Å; M43-V56 VanDerWaalsContact CG-CG2 3.43Å |
| 57 | G | 92.3 | Very high | 86.1 | Confident | 14 Ų | 14 | 67.6 Ų | 67.6 | 14% | 0.144 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.5 | 168.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | V40 W41 | V40-G57 WeakPolarHBondContact CA-O 3.44Å; W41-G57 VanDerWaalsContact CE2-CA 3.47Å; W41-G57 VanDerWaalsContact CZ2-CA 3.5Å; W41-G57 PolarHBondContact N-O 2.78Å; W41-G57 PolarHBondContact O-N 2.77Å |
| 58 | A | 94.5 | Very high | 86.8 | Confident | 47 Ų | 47 | 63 Ų | 63 | 39% | 0.388 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 136.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | F39 V40 | F39-A58 WeakPolarHBondContact O-CA 3.27Å; V40-A58 HydrophobicContact CG1-CB 3.81Å |
| 59 | I | 94.8 | Very high | 87.7 | Confident | 10 Ų | 10 | 62.8 Ų | 62.8 | 5% | 0.051 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 134 | 172.8 | -64.7 | 165.9 | 0 | 0 | 0 | 106.9 | F39 W41 I64 M83 A85 Y90 | F39-I59 WeakPolarHBondContact CA-O 3.46Å; F39-I59 PolarHBondContact N-O 2.76Å; F39-I59 PolarHBondContact O-N 2.87Å; W41-I59 HydrophobicContact CH2-CD1 3.68Å; W41-I59 HydrophobicContact CH2-CG1 3.87Å; W41-I59 HydrophobicContact CZ3-CB 4.46Å; W41-I59 HydrophobicContact CZ3-CD1 3.68Å; W41-I59 HydrophobicContact CZ3-CG1 3.79Å; I59-I64 HydrophobicContact CG2-CD1 4.12Å; I59-I64 HydrophobicContact CG2-CG1 3.71Å; I59-M83 HydrophobicContact CD1-CE 3.42Å; I59-M83 VanDerWaalsContact CD1-CE 3.42Å; I59-A85 HydrophobicContact CG2-CB 3.88Å; I59-Y90 HydrophobicContact CD1-CD1 4.12Å; I59-Y90 HydrophobicContact CD1-CD2 3.68Å; I59-Y90 HydrophobicContact CD1-CE1 3.86Å; I59-Y90 HydrophobicContact CD1-CE2 3.41Å; I59-Y90 VanDerWaalsContact CD1-CE2 3.41Å; I59-Y90 HydrophobicContact CD1-CG 4.02Å; I59-Y90 VanDerWaalsContact CD1-CZ 3.49Å; I59-Y90 HydrophobicContact CG1-CE2 4.29Å |
| 60 | K | 93.2 | Very high | 88.6 | Confident | 109 Ų | 109 | 61.9 Ų | 61.9 | 47% | 0.474 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 142.2 | 172.2 | -67.1 | -169.8 | 174.6 | -173.5 | 0 | 110.3 | D37 T62 Y63 | D37-K60 VanDerWaalsContact O-CA 3.23Å; D37-K60 WeakPolarHBondContact O-CA 3.44Å; K60-T62 PolarHBondContact O-N 2.99Å; K60-Y63 HydrophobicContact CB-CD2 3.82Å; K60-Y63 HydrophobicContact CB-CE2 4.07Å; K60-Y63 HydrophobicContact CB-CG 4.14Å; K60-Y63 HydrophobicContact CD-CE2 3.99Å; K60-Y63 HydrophobicContact CG-CD2 4.32Å; K60-Y63 HydrophobicContact CG-CE2 4.12Å; K60-Y63 WeakPolarHBondContact O-CB 3.31Å; K60-Y63 PolarHBondContact O-N 2.85Å |
| 61 | L | 92.8 | Very high | 89.7 | Confident | 1 Ų | 1 | 62.3 Ų | 62.3 | 1% | 0.005 | 37% | 0.369 | C | S | . | . | G | 310 helix | trans | -65.1 | -34.3 | -178.8 | -44 | 173 | 0 | 0 | 0 | 110.9 | L32 T34 D37 F39 Y63 I64 A110 I111 T114 | L32-L61 HydrophobicContact CD1-CD1 3.92Å; L32-L61 HydrophobicContact CD1-CD2 3.3Å; L32-L61 HydrophobicContact CD1-CG 4.24Å; T34-L61 HydrophobicContact CG2-CD1 4.45Å; D37-L61 PolarHBondContact O-N 3.46Å; D37-L61 VanDerWaalsContact OD1-CA 3.29Å; D37-L61 WeakPolarHBondContact OD1-CA 3.49Å; D37-L61 WeakPolarHBondContact OD1-CB 3.36Å; D37-L61 PolarHBondContact OD1-N 2.78Å; F39-L61 HydrophobicContact CB-CD2 3.73Å; L61-Y63 PolarHBondContact O-N 3.38Å; L61-Y63 VanDerWaalsContact O-N 3.12Å; L61-I64 HydrophobicContact CD2-CD1 4.04Å; L61-I64 WeakPolarHBondContact O-CB 3.41Å; L61-I64 PolarHBondContact O-N 3.48Å; L61-A110 HydrophobicContact CD1-CB 4.14Å; L61-I111 HydrophobicContact CB-CG2 4.48Å; L61-T114 HydrophobicContact CB-CG2 4.14Å; L61-T114 HydrophobicContact CD1-CG2 4.14Å |
| 62 | T | 91 | Very high | 90.4 | Very high | 75 Ų | 75 | 65.7 Ų | 65.7 | 46% | 0.46 | 37% | 0.367 | S | S | . | . | G | 310 helix | trans | -55.1 | -23.9 | 170.4 | 47.3 | 0 | 0 | 0 | 0 | 114.7 | D37 K60 | D37-T62 PolarHBondContact OD1-N 2.85Å; D37-T62 WeakPolarHBondContact OD2-CB 3.42Å; D37-T62 WeakPolarHBondContact OD2-CG2 3.19Å; D37-T62 PolarHBondContact OD2-OG1 2.97Å; K60-T62 PolarHBondContact O-N 2.99Å |
| 63 | Y | 93.4 | Very high | 91 | Very high | 140 Ų | 140 | 67.5 Ų | 67.5 | 55% | 0.549 | 36% | 0.356 | S | S | . | . | G | 310 helix | trans | -87.9 | -16.7 | 176.3 | -61.9 | -21.4 | 0 | 0 | 0 | 113.2 | K60 L61 S65 A85 G86 | K60-Y63 HydrophobicContact CB-CD2 3.82Å; K60-Y63 HydrophobicContact CB-CE2 4.07Å; K60-Y63 HydrophobicContact CB-CG 4.14Å; K60-Y63 HydrophobicContact CD-CE2 3.99Å; K60-Y63 HydrophobicContact CG-CD2 4.32Å; K60-Y63 HydrophobicContact CG-CE2 4.12Å; K60-Y63 WeakPolarHBondContact O-CB 3.31Å; K60-Y63 PolarHBondContact O-N 2.85Å; L61-Y63 PolarHBondContact O-N 3.38Å; L61-Y63 VanDerWaalsContact O-N 3.12Å; Y63-S65 PolarHBondContact O-N 2.98Å; Y63-A85 CarbonylContact O-C 3.47Å; Y63-A85 WeakPolarHBondContact O-CA 3.41Å; Y63-G86 PolarHBondContact O-N 2.84Å |
| 64 | I | 94.4 | Very high | 91.3 | Very high | 9 Ų | 9 | 68.6 Ų | 68.6 | 5% | 0.046 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 112.5 | 179.4 | -56.9 | 168.3 | 0 | 0 | 0 | 108.4 | I59 L61 V67 M83 N84 A85 I111 | I59-I64 HydrophobicContact CG2-CD1 4.12Å; I59-I64 HydrophobicContact CG2-CG1 3.71Å; L61-I64 HydrophobicContact CD2-CD1 4.04Å; L61-I64 WeakPolarHBondContact O-CB 3.41Å; L61-I64 PolarHBondContact O-N 3.48Å; I64-V67 HydrophobicContact CG2-CG2 3.64Å; I64-M83 HydrophobicContact CD1-CG 4.3Å; I64-M83 HydrophobicContact CD1-SD 3.43Å; I64-M83 WeakPolarHBondContact CD1-SD 3.33Å; I64-M83 HydrophobicContact CG1-CG 4.14Å; I64-M83 HydrophobicContact CG1-SD 3.81Å; I64-M83 HydrophobicContact CG2-CG 3.64Å; I64-M83 HydrophobicContact CG2-SD 4.2Å; I64-N84 CarbonylContact C-O 3.58Å; I64-N84 WeakPolarHBondContact CA-O 3.1Å; I64-A85 HydrophobicContact CG1-CB 4.1Å; I64-I111 HydrophobicContact CB-CG2 3.78Å; I64-I111 HydrophobicContact CD1-CG2 4.39Å; I64-I111 HydrophobicContact CG2-CG2 3.83Å |
| 65 | S | 92.6 | Very high | 91.2 | Very high | 88 Ų | 88 | 68.9 Ų | 68.9 | 62% | 0.615 | 36% | 0.355 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.6 | -30.3 | -178.4 | 59.7 | 0 | 0 | 0 | 0 | 113 | Y63 N84 | Y63-S65 PolarHBondContact O-N 2.98Å; S65-N84 PolarHBondContact N-O 3.04Å; S65-N84 PolarHBondContact OG-O 3.33Å |
| 66 | K | 93.1 | Very high | 90.7 | Very high | 116 Ų | 116 | 72.3 Ų | 72.3 | 50% | 0.504 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.6 | 139.7 | -177.2 | -176.1 | 175.2 | 179.2 | 177.9 | 0 | 111.5 | N84 | K66-N84 HydrophobicContact CB-CB 4.4Å; K66-N84 PolarHBondContact O-N 3.12Å |
| 67 | V | 96.3 | Very high | 90.5 | Very high | 5 Ų | 5 | 69.9 Ų | 69.9 | 3% | 0.03 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 126.7 | 168.9 | -173.6 | 0 | 0 | 0 | 0 | 109.2 | I64 F81 V82 M83 V104 L107 N108 | I64-V67 HydrophobicContact CG2-CG2 3.64Å; V67-F81 HydrophobicContact CG1-CD2 3.82Å; V67-F81 HydrophobicContact CG1-CE2 4.17Å; V67-V82 WeakPolarHBondContact CA-O 3.3Å; V67-M83 HydrophobicContact CG2-CB 4.28Å; V67-M83 HydrophobicContact CG2-CG 4.01Å; V67-V104 HydrophobicContact CG1-CG1 4.48Å; V67-V104 HydrophobicContact CG1-CG2 4.32Å; V67-L107 HydrophobicContact CB-CB 4.44Å; V67-L107 HydrophobicContact CG1-CB 4.28Å; V67-L107 HydrophobicContact CG1-CD1 4.16Å; V67-L107 HydrophobicContact CG2-CB 4.05Å; V67-N108 PolarHBondContact O-ND2 3.42Å; V67-N108 PolarHBondContact O-OD1 2.93Å |
| 68 | S | 95.5 | Very high | 90.4 | Very high | 33 Ų | 33 | 75.6 Ų | 75.6 | 23% | 0.231 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 154.7 | -177.6 | 55.4 | 0 | 0 | 0 | 0 | 112.6 | A70 F81 V82 | S68-A70 PolarHBondContact O-N 3.01Å; S68-F81 CarbonylContact O-C 3.56Å; S68-F81 WeakPolarHBondContact O-CA 3.49Å; S68-F81 WeakPolarHBondContact O-CB 3.05Å; S68-V82 PolarHBondContact N-O 3.03Å; S68-V82 PolarHBondContact O-N 3.37Å; S68-V82 WeakPolarHBondContact OG-CG1 3.34Å |
| 69 | D | 94.8 | Very high | 90.3 | Very high | 77 Ų | 77 | 76 Ų | 76 | 41% | 0.412 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.7 | 132.9 | 169.7 | -168.6 | -36.7 | 0 | 0 | 0 | 110.9 | T71 | D69-T71 WeakPolarHBondContact OD1-CB 3.32Å; D69-T71 PolarHBondContact OD1-N 2.97Å; D69-T71 PolarHBondContact OD1-OG1 2.9Å |
| 70 | A | 92.6 | Very high | 90.3 | Very high | 1 Ų | 1 | 75.6 Ų | 75.6 | 1% | 0.008 | 37% | 0.373 | C | S | . | . | trans | -125.5 | 12.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | S68 K72 L73 R74 C80 V82 F91 | S68-A70 PolarHBondContact O-N 3.01Å; A70-K72 PolarHBondContact O-N 3.25Å; A70-L73 HydrophobicContact CB-CB 4.38Å; A70-L73 HydrophobicContact CB-CD1 4.14Å; A70-L73 WeakPolarHBondContact O-CA 3.24Å; A70-L73 WeakPolarHBondContact O-CB 3.44Å; A70-L73 PolarHBondContact O-N 2.8Å; A70-R74 PolarHBondContact O-N 2.96Å; A70-C80 CarbonylContact C-O 3.56Å; A70-C80 VanDerWaalsContact C-O 3.29Å; A70-C80 WeakPolarHBondContact CA-O 3.48Å; A70-C80 PolarHBondContact N-O 2.75Å; A70-V82 HydrophobicContact CB-CB 3.82Å; A70-V82 HydrophobicContact CB-CG1 3.93Å; A70-F91 HydrophobicContact CB-CD1 4.39Å; A70-F91 HydrophobicContact CB-CE1 4.41Å | ||
| 71 | T | 88.6 | Confident | 90.5 | Very high | 44 Ų | 44 | 70.4 Ų | 70.4 | 27% | 0.27 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -37 | -178.9 | -50.5 | 0 | 0 | 0 | 0 | 110.9 | D69 R74 C80 | D69-T71 WeakPolarHBondContact OD1-CB 3.32Å; D69-T71 PolarHBondContact OD1-N 2.97Å; D69-T71 PolarHBondContact OD1-OG1 2.9Å; T71-R74 CarbonylContact O-C 3.58Å; T71-C80 PolarHBondContact N-O 3.47Å; T71-C80 PolarHBondContact OG1-O 3.28Å |
| 72 | K | 85.1 | Confident | 90.6 | Very high | 202 Ų | 202 | 70.7 Ų | 70.7 | 88% | 0.878 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -28.1 | 174.6 | -64.4 | -175.6 | -179.2 | -179.9 | 0 | 113.9 | A70 | A70-K72 PolarHBondContact O-N 3.25Š|
| 73 | L | 84.4 | Confident | 90.8 | Very high | 122 Ų | 122 | 67.1 Ų | 67.1 | 64% | 0.639 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | -27.8 | 179.9 | -61.5 | 173 | 0 | 0 | 0 | 111.6 | A70 | A70-L73 HydrophobicContact CB-CB 4.38Å; A70-L73 HydrophobicContact CB-CD1 4.14Å; A70-L73 WeakPolarHBondContact O-CA 3.24Å; A70-L73 WeakPolarHBondContact O-CB 3.44Å; A70-L73 PolarHBondContact O-N 2.8Å |
| 74 | R | 84.6 | Confident | 90.8 | Very high | 52 Ų | 52 | 62.3 Ų | 62.3 | 20% | 0.196 | 31% | 0.314 | C | S | . | . | trans | -130.1 | 72.2 | -178.1 | -60.5 | -68.4 | -94.1 | -138.5 | -0.1 | 109.9 | E17 A70 T71 K76 A77 C80 F91 | E17-R74 IonicContact OE1-CZ 3.55Å; E17-R74 IonicContact OE1-NH2 3.74Å; E17-R74 PolarHBondContact OE1-NH2 2.96Å; E17-R74 IonicContact OE2-CZ 2.88Å; E17-R74 IonicContact OE2-NH2 2.99Å; E17-R74 PolarHBondContact OE2-NH2 2.72Å; A70-R74 PolarHBondContact O-N 2.96Å; T71-R74 CarbonylContact O-C 3.58Å; R74-K76 PolarHBondContact O-N 2.86Å; R74-A77 HydrophobicContact CB-CB 4.11Å; R74-A77 CarbonylContact O-C 3.29Å; R74-A77 PolarHBondContact O-N 2.73Å; R74-A77 VanDerWaalsContact O-O 3.09Å; R74-C80 HydrophobicContact CB-CB 4.5Å; R74-F91 HydrophobicContact CG-CD1 3.9Å; R74-F91 HydrophobicContact CG-CE1 3.95Å | ||
| 75 | P | 79.3 | Confident | 90.7 | Very high | 108 Ų | 108 | 62.4 Ų | 62.4 | 70% | 0.701 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -16 | -177.9 | 24.1 | -33.5 | 0 | 0 | 0 | 114 | ||
| 76 | K | 81.8 | Confident | 90.5 | Very high | 211 Ų | 211 | 61.2 Ų | 61.2 | 92% | 0.917 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -14.1 | 173.6 | -64 | -175 | 178.8 | -177.8 | 0 | 113.8 | R74 | R74-K76 PolarHBondContact O-N 2.86Š|
| 77 | A | 85.9 | Confident | 90.3 | Very high | 4 Ų | 4 | 65 Ų | 65 | 3% | 0.033 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -114.9 | 97.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | F25 R74 C80 | F25-A77 HydrophobicContact CE2-CB 4.03Å; F25-A77 HydrophobicContact CZ-CB 3.99Å; R74-A77 HydrophobicContact CB-CB 4.11Å; R74-A77 CarbonylContact O-C 3.29Å; R74-A77 PolarHBondContact O-N 2.73Å; R74-A77 VanDerWaalsContact O-O 3.09Å; A77-C80 HydrophobicContact CB-CB 3.85Å; A77-C80 WeakPolarHBondContact O-CB 3.46Å |
| 78 | E | 89.3 | Confident | 90 | Very high | 133 Ų | 133 | 70.4 Ų | 70.4 | 62% | 0.621 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | 142.8 | 179.9 | -61.1 | -175.6 | 109.3 | 0 | 0 | 110.8 | C80 Q93 | E78-C80 PolarHBondContact O-N 2.83Å; E78-Q93 WeakPolarHBondContact O-CG 3.49Å; E78-Q93 PolarHBondContact O-NE2 3.29Å |
| 79 | F | 93.6 | Very high | 89.8 | Confident | 57 Ų | 57 | 74 Ų | 74 | 25% | 0.25 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 52.9 | 41.2 | -179.3 | -38.8 | -63.9 | 0 | 0 | 0 | 113 | A94 D96 Q97 L100 | F79-A94 HydrophobicContact CB-CB 4.24Å; F79-A94 PolarHBondContact O-N 3.43Å; F79-D96 VanDerWaalsContact CG-C 3.47Å; F79-Q97 HydrophobicContact CD1-CB 3.92Å; F79-Q97 VanDerWaalsContact CD1-N 3.31Å; F79-Q97 HydrophobicContact CE1-CB 3.8Å; F79-L100 HydrophobicContact CB-CB 4.26Å; F79-L100 HydrophobicContact CB-CD1 4.26Å; F79-L100 WeakPolarHBondContact O-CD1 2.8Å |
| 80 | C | 94.7 | Very high | 89.8 | Confident | 0 Ų | 0 | 71.6 Ų | 71.6 | 0% | 0 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 136.7 | 179.3 | -177.3 | 0 | 0 | 0 | 0 | 111.7 | A70 T71 R74 A77 E78 L92 | A70-C80 CarbonylContact C-O 3.56Å; A70-C80 VanDerWaalsContact C-O 3.29Å; A70-C80 WeakPolarHBondContact CA-O 3.48Å; A70-C80 PolarHBondContact N-O 2.75Å; T71-C80 PolarHBondContact N-O 3.47Å; T71-C80 PolarHBondContact OG1-O 3.28Å; R74-C80 HydrophobicContact CB-CB 4.5Å; A77-C80 HydrophobicContact CB-CB 3.85Å; A77-C80 WeakPolarHBondContact O-CB 3.46Å; E78-C80 PolarHBondContact O-N 2.83Å; C80-L92 CarbonylContact C-O 3.55Å; C80-L92 VanDerWaalsContact CA-O 3.28Å; C80-L92 WeakPolarHBondContact CA-O 3.44Å; C80-L92 PolarHBondContact SG-O 2.85Å; C80-L92 VanDerWaalsContact SG-O 3.35Å |
| 81 | F | 96.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 72.5 Ų | 72.5 | 0% | 0 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 156.2 | 170 | 68 | -85.9 | 0 | 0 | 0 | 110.9 | L14 V67 S68 L92 L100 W103 V104 L107 | L14-F81 HydrophobicContact CD1-CE1 4.3Å; L14-F81 HydrophobicContact CD1-CZ 3.79Å; L14-F81 HydrophobicContact CD2-CE1 3.91Å; L14-F81 HydrophobicContact CD2-CZ 4.25Å; V67-F81 HydrophobicContact CG1-CD2 3.82Å; V67-F81 HydrophobicContact CG1-CE2 4.17Å; S68-F81 CarbonylContact O-C 3.56Å; S68-F81 WeakPolarHBondContact O-CA 3.49Å; S68-F81 WeakPolarHBondContact O-CB 3.05Å; F81-L92 HydrophobicContact CD1-CB 4.21Å; F81-L92 HydrophobicContact CD2-CB 4.32Å; F81-L92 HydrophobicContact CD2-CD1 4.29Å; F81-L92 HydrophobicContact CE1-CB 3.69Å; F81-L92 HydrophobicContact CE2-CB 3.83Å; F81-L92 HydrophobicContact CE2-CD1 3.78Å; F81-L92 HydrophobicContact CE2-CD2 4.5Å; 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 4.24Å; F81-L92 HydrophobicContact CZ-CD2 4.23Å; F81-L92 HydrophobicContact CZ-CG 4.19Å; F81-L92 PolarHBondContact N-O 2.86Å; F81-L92 PolarHBondContact O-N 2.89Å; F81-L92 VanDerWaalsContact O-O 3.14Å; F81-L100 HydrophobicContact CB-CD1 4.28Å; F81-L100 HydrophobicContact CB-CG 4.5Å; F81-L100 HydrophobicContact CD1-CG 4.44Å; F81-W103 HydrophobicContact CE1-CB 4.08Å; F81-W103 HydrophobicContact CZ-CB 3.97Å; F81-V104 HydrophobicContact CB-CG2 3.67Å; F81-V104 HydrophobicContact CD1-CG2 4.34Å; F81-V104 HydrophobicContact CD2-CG2 4.02Å; F81-V104 HydrophobicContact CG-CG2 3.77Å; F81-L107 HydrophobicContact CE2-CD1 3.8Å; F81-L107 HydrophobicContact CZ-CD1 4.3Å |
| 82 | V | 95.1 | Very high | 90.2 | Very high | 7 Ų | 7 | 70.4 Ų | 70.4 | 4% | 0.042 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 136 | 180 | 65.3 | 0 | 0 | 0 | 0 | 110.2 | V67 S68 A70 K89 Y90 F91 | V67-V82 WeakPolarHBondContact CA-O 3.3Å; S68-V82 PolarHBondContact N-O 3.03Å; S68-V82 PolarHBondContact O-N 3.37Å; S68-V82 WeakPolarHBondContact OG-CG1 3.34Å; A70-V82 HydrophobicContact CB-CB 3.82Å; A70-V82 HydrophobicContact CB-CG1 3.93Å; V82-K89 HydrophobicContact CG2-CB 4.07Å; V82-Y90 WeakPolarHBondContact CA-O 3.48Å; V82-F91 HydrophobicContact CB-CD1 4.15Å; V82-F91 HydrophobicContact CB-CE1 4.09Å; V82-F91 HydrophobicContact CG2-CD1 4.2Å; V82-F91 HydrophobicContact CG2-CE1 3.97Å; V82-F91 HydrophobicContact CG2-CZ 4.24Å |
| 83 | M | 95.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 113.9 | 171.9 | 175.8 | 177.9 | 67.6 | 0 | 0 | 108.7 | F39 I59 I64 V67 Y90 L92 | F39-M83 HydrophobicContact CD1-CE 4.06Å; F39-M83 HydrophobicContact CD1-SD 3.97Å; F39-M83 HydrophobicContact CE1-CE 4.11Å; F39-M83 HydrophobicContact CE1-SD 4.06Å; I59-M83 HydrophobicContact CD1-CE 3.42Å; I59-M83 VanDerWaalsContact CD1-CE 3.42Å; I64-M83 HydrophobicContact CD1-CG 4.3Å; I64-M83 HydrophobicContact CD1-SD 3.43Å; I64-M83 WeakPolarHBondContact CD1-SD 3.33Å; I64-M83 HydrophobicContact CG1-CG 4.14Å; I64-M83 HydrophobicContact CG1-SD 3.81Å; I64-M83 HydrophobicContact CG2-CG 3.64Å; I64-M83 HydrophobicContact CG2-SD 4.2Å; V67-M83 HydrophobicContact CG2-CB 4.28Å; V67-M83 HydrophobicContact CG2-CG 4.01Å; M83-Y90 HydrophobicContact CE-CD2 3.91Å; M83-Y90 HydrophobicContact CE-CG 3.94Å; M83-Y90 PolarHBondContact N-O 2.84Å; M83-Y90 PolarHBondContact O-N 3.24Å; M83-L92 HydrophobicContact CB-CD1 3.89Å; M83-L92 HydrophobicContact CE-CD1 4.27Å |
| 84 | N | 94.2 | Very high | 91.2 | Very high | 39 Ų | 39 | 56.5 Ų | 56.5 | 21% | 0.209 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 118.8 | 174.3 | -61.6 | -31.7 | 0 | 0 | 0 | 108.3 | I64 S65 K66 K89 | I64-N84 CarbonylContact C-O 3.58Å; I64-N84 WeakPolarHBondContact CA-O 3.1Å; S65-N84 PolarHBondContact N-O 3.04Å; S65-N84 PolarHBondContact OG-O 3.33Å; K66-N84 HydrophobicContact CB-CB 4.4Å; K66-N84 PolarHBondContact O-N 3.12Å; N84-K89 WeakPolarHBondContact OD1-CG 3.46Å |
| 85 | A | 92.8 | Very high | 91.6 | Very high | 11 Ų | 11 | 57.4 Ų | 57.4 | 9% | 0.091 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 113.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | I59 Y63 I64 M87 R88 Y90 | I59-A85 HydrophobicContact CG2-CB 3.88Å; Y63-A85 CarbonylContact O-C 3.47Å; Y63-A85 WeakPolarHBondContact O-CA 3.41Å; I64-A85 HydrophobicContact CG1-CB 4.1Å; A85-M87 PolarHBondContact O-N 3.12Å; A85-R88 PolarHBondContact N-O 3.21Å; A85-R88 PolarHBondContact O-N 2.87Å; A85-R88 VanDerWaalsContact O-N 3.08Å; A85-Y90 HydrophobicContact CB-CD2 4.24Å; A85-Y90 HydrophobicContact CB-CE2 4.01Å |
| 86 | G | 87.8 | Confident | 92.3 | Very high | 64 Ų | 64 | 55.2 Ų | 55.2 | 66% | 0.66 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.7 | -120.7 | -170.5 | 0 | 0 | 0 | 0 | 0 | 112 | Y63 | Y63-G86 PolarHBondContact O-N 2.84Š|
| 87 | M | 87.7 | Confident | 92.9 | Very high | 196 Ų | 196 | 49.5 Ų | 49.5 | 97% | 0.966 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | 3.1 | 179.7 | -60.6 | 178.8 | 68.4 | 0 | 0 | 113.8 | A85 | A85-M87 PolarHBondContact O-N 3.12Š|
| 88 | R | 90.7 | Very high | 93.4 | Very high | 118 Ų | 118 | 54 Ų | 54 | 45% | 0.445 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 148.1 | -174.7 | -66.6 | -179.1 | 69.8 | -167.8 | -0.7 | 111.2 | E18 A85 Y90 | E18-R88 PolarHBondContact O-NH2 2.89Å; A85-R88 PolarHBondContact N-O 3.21Å; A85-R88 PolarHBondContact O-N 2.87Å; A85-R88 VanDerWaalsContact O-N 3.08Å; R88-Y90 HydrophobicContact CB-CE2 4Å; R88-Y90 PolarHBondContact NH1-OH 2.76Å |
| 89 | K | 91.9 | Very high | 93.7 | Very high | 109 Ų | 109 | 47.7 Ų | 47.7 | 47% | 0.474 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 130.2 | 170 | -59.3 | -175 | -179 | 167 | 0 | 108.8 | V82 N84 F91 | V82-K89 HydrophobicContact CG2-CB 4.07Å; N84-K89 WeakPolarHBondContact OD1-CG 3.46Å; K89-F91 HydrophobicContact CB-CE2 4.19Å |
| 90 | Y | 93.8 | Very high | 93.8 | Very high | 26 Ų | 26 | 45.2 Ų | 45.2 | 10% | 0.102 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 121.2 | 172.3 | -63.1 | -88.3 | 0 | 0 | 0 | 107.8 | I16 I59 V82 M83 A85 R88 | I16-Y90 HydrophobicContact CD1-CD1 4.09Å; I59-Y90 HydrophobicContact CD1-CD1 4.12Å; I59-Y90 HydrophobicContact CD1-CD2 3.68Å; I59-Y90 HydrophobicContact CD1-CE1 3.86Å; I59-Y90 HydrophobicContact CD1-CE2 3.41Å; I59-Y90 VanDerWaalsContact CD1-CE2 3.41Å; I59-Y90 HydrophobicContact CD1-CG 4.02Å; I59-Y90 VanDerWaalsContact CD1-CZ 3.49Å; I59-Y90 HydrophobicContact CG1-CE2 4.29Å; V82-Y90 WeakPolarHBondContact CA-O 3.48Å; M83-Y90 HydrophobicContact CE-CD2 3.91Å; M83-Y90 HydrophobicContact CE-CG 3.94Å; M83-Y90 PolarHBondContact N-O 2.84Å; M83-Y90 PolarHBondContact O-N 3.24Å; A85-Y90 HydrophobicContact CB-CD2 4.24Å; A85-Y90 HydrophobicContact CB-CE2 4.01Å; R88-Y90 HydrophobicContact CB-CE2 4Å; R88-Y90 PolarHBondContact NH1-OH 2.76Å |
| 91 | F | 94.6 | Very high | 93.9 | Very high | 19 Ų | 19 | 48.5 Ų | 48.5 | 8% | 0.083 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 126.1 | 171.5 | -66.6 | -86.6 | 0 | 0 | 0 | 108.1 | E17 F25 A70 R74 V82 K89 | E17-F91 HydrophobicContact CB-CB 4.22Å; E17-F91 PolarHBondContact N-O 3.23Å; F25-F91 HydrophobicContact CE1-CB 4.13Å; F25-F91 HydrophobicContact CZ-CB 4.2Å; A70-F91 HydrophobicContact CB-CD1 4.39Å; A70-F91 HydrophobicContact CB-CE1 4.41Å; R74-F91 HydrophobicContact CG-CD1 3.9Å; R74-F91 HydrophobicContact CG-CE1 3.95Å; V82-F91 HydrophobicContact CB-CD1 4.15Å; V82-F91 HydrophobicContact CB-CE1 4.09Å; V82-F91 HydrophobicContact CG2-CD1 4.2Å; V82-F91 HydrophobicContact CG2-CE1 3.97Å; V82-F91 HydrophobicContact CG2-CZ 4.24Å; K89-F91 HydrophobicContact CB-CE2 4.19Å |
| 92 | L | 95.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 144.9 | 178.6 | -59.3 | 101 | 0 | 0 | 0 | 109.1 | L14 D15 I16 F30 F39 C80 F81 M83 | L14-L92 HydrophobicContact CB-CD2 4.45Å; L14-L92 HydrophobicContact CD1-CD2 3.77Å; D15-L92 CarbonylContact O-C 3.59Å; D15-L92 VanDerWaalsContact O-CA 3.29Å; D15-L92 WeakPolarHBondContact O-CA 3.3Å; I16-L92 HydrophobicContact CB-CD2 4.46Å; I16-L92 HydrophobicContact CD1-CD2 4.3Å; I16-L92 HydrophobicContact CD1-CG 4.5Å; I16-L92 HydrophobicContact CG1-CG 4.36Å; F30-L92 HydrophobicContact CE1-CD2 3.84Å; F30-L92 HydrophobicContact CE2-CD2 4.22Å; F30-L92 HydrophobicContact CZ-CD2 3.65Å; F39-L92 HydrophobicContact CE1-CD2 4.47Å; C80-L92 CarbonylContact C-O 3.55Å; C80-L92 VanDerWaalsContact CA-O 3.28Å; C80-L92 WeakPolarHBondContact CA-O 3.44Å; C80-L92 PolarHBondContact SG-O 2.85Å; C80-L92 VanDerWaalsContact SG-O 3.35Å; F81-L92 HydrophobicContact CD1-CB 4.21Å; F81-L92 HydrophobicContact CD2-CB 4.32Å; F81-L92 HydrophobicContact CD2-CD1 4.29Å; F81-L92 HydrophobicContact CE1-CB 3.69Å; F81-L92 HydrophobicContact CE2-CB 3.83Å; F81-L92 HydrophobicContact CE2-CD1 3.78Å; F81-L92 HydrophobicContact CE2-CD2 4.5Å; 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 4.24Å; F81-L92 HydrophobicContact CZ-CD2 4.23Å; F81-L92 HydrophobicContact CZ-CG 4.19Å; F81-L92 PolarHBondContact N-O 2.86Å; F81-L92 PolarHBondContact O-N 2.89Å; F81-L92 VanDerWaalsContact O-O 3.14Å; M83-L92 HydrophobicContact CB-CD1 3.89Å; M83-L92 HydrophobicContact CE-CD1 4.27Å |
| 93 | Q | 94.9 | Very high | 94 | Very high | 31 Ų | 31 | 50.7 Ų | 50.7 | 15% | 0.145 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 127.7 | 179.3 | -158.5 | -176.7 | -40.7 | 0 | 0 | 109.1 | L14 D15 F25 E78 | L14-Q93 WeakPolarHBondContact CD2-O 3.18Å; D15-Q93 HydrophobicContact CB-CB 4.15Å; D15-Q93 PolarHBondContact N-O 3.03Å; D15-Q93 PolarHBondContact O-N 3.01Å; F25-Q93 HydrophobicContact CD1-CB 4.17Å; F25-Q93 HydrophobicContact CE1-CB 4.31Å; E78-Q93 WeakPolarHBondContact O-CG 3.49Å; E78-Q93 PolarHBondContact O-NE2 3.29Å |
| 94 | A | 95.4 | Very high | 94 | Very high | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.008 | 27% | 0.267 | C | S | . | . | trans | -90.5 | 164.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | L14 F79 D99 L100 | L14-A94 HydrophobicContact CD2-CB 4.13Å; F79-A94 HydrophobicContact CB-CB 4.24Å; F79-A94 PolarHBondContact O-N 3.43Å; A94-D99 HydrophobicContact CB-CB 3.91Å; A94-L100 HydrophobicContact CB-CB 3.87Å; A94-L100 VanDerWaalsContact CB-N 3.33Å | ||
| 95 | N | 92.5 | Very high | 94.1 | Very high | 71 Ų | 71 | 54.8 Ų | 54.8 | 38% | 0.38 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -74.5 | -29 | -178.2 | -56.2 | -81.2 | 0 | 0 | 0 | 112.2 | R27 D99 | R27-N95 PolarHBondContact NH1-OD1 2.86Å; R27-N95 PolarHBondContact NH2-OD1 3.31Å; N95-D99 WeakPolarHBondContact CB-OD2 3.48Å; N95-D99 PolarHBondContact N-OD2 2.7Å; N95-D99 PolarHBondContact ND2-OD2 3.13Å |
| 96 | D | 94.6 | Very high | 94.3 | Very high | 62 Ų | 62 | 55.7 Ų | 55.7 | 33% | 0.332 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -155.7 | 177.3 | -179 | 61.4 | 58.3 | 0 | 0 | 0 | 111.2 | F79 Q98 D99 L100 | F79-D96 VanDerWaalsContact CG-C 3.47Å; D96-Q98 VanDerWaalsContact C-N 3.34Å; D96-Q98 PolarHBondContact O-N 3.41Å; D96-Q98 WeakPolarHBondContact OD1-CA 3.36Å; D96-Q98 WeakPolarHBondContact OD1-CB 3.31Å; D96-Q98 PolarHBondContact OD1-N 2.98Å; D96-D99 PolarHBondContact O-N 3.36Å; D96-D99 WeakPolarHBondContact OD1-CB 3.26Å; D96-D99 PolarHBondContact OD1-N 3.45Å; D96-L100 PolarHBondContact O-N 2.88Å |
| 97 | Q | 94.6 | Very high | 94.6 | Very high | 91 Ų | 91 | 52.7 Ų | 52.7 | 43% | 0.425 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63.1 | -37.4 | -178.4 | -175 | 60.3 | 55.2 | 0 | 0 | 113.1 | F79 L100 V101 | F79-Q97 HydrophobicContact CD1-CB 3.92Å; F79-Q97 VanDerWaalsContact CD1-N 3.31Å; F79-Q97 HydrophobicContact CE1-CB 3.8Å; Q97-L100 PolarHBondContact O-N 2.73Å; Q97-V101 WeakPolarHBondContact O-CG2 3.29Å; Q97-V101 PolarHBondContact O-N 2.96Å; Q97-V101 VanDerWaalsContact O-N 3.12Å |
| 98 | Q | 96.1 | Very high | 95 | Very high | 100 Ų | 100 | 45.2 Ų | 45.2 | 47% | 0.467 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -69.3 | -44.1 | -179.8 | -179.2 | 64.9 | 31.4 | 0 | 0 | 110 | M1 D96 L100 V101 E102 | M1-Q98 HydrophobicContact CE-CG 3.65Å; M1-Q98 HydrophobicContact SD-CG 4.11Å; D96-Q98 VanDerWaalsContact C-N 3.34Å; D96-Q98 PolarHBondContact O-N 3.41Å; D96-Q98 WeakPolarHBondContact OD1-CA 3.36Å; D96-Q98 WeakPolarHBondContact OD1-CB 3.31Å; D96-Q98 PolarHBondContact OD1-N 2.98Å; Q98-L100 VanDerWaalsContact C-N 3.33Å; Q98-L100 PolarHBondContact O-N 3.3Å; Q98-V101 PolarHBondContact O-N 2.85Å; Q98-E102 PolarHBondContact NE2-OE1 2.91Å; Q98-E102 WeakPolarHBondContact O-CG 3.32Å; Q98-E102 PolarHBondContact O-N 3.2Å |
| 99 | D | 95.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -57.8 | -42.9 | 175.1 | -167.5 | 28.7 | 0 | 0 | 0 | 111.5 | M1 P2 A94 N95 D96 W103 | M1-D99 WeakPolarHBondContact CA-OD1 3.44Å; M1-D99 HydrophobicContact CG-CB 4.14Å; M1-D99 PolarHBondContact N-OD1 2.98Å; M1-D99 PolarHBondContact N-OD2 3.14Å; P2-D99 VanDerWaalsContact CD-OD1 3.24Å; P2-D99 WeakPolarHBondContact CD-OD1 3.28Å; A94-D99 HydrophobicContact CB-CB 3.91Å; N95-D99 WeakPolarHBondContact CB-OD2 3.48Å; N95-D99 PolarHBondContact N-OD2 2.7Å; N95-D99 PolarHBondContact ND2-OD2 3.13Å; D96-D99 PolarHBondContact O-N 3.36Å; D96-D99 WeakPolarHBondContact OD1-CB 3.26Å; D96-D99 PolarHBondContact OD1-N 3.45Å; D99-W103 WeakPolarHBondContact O-CB 3Å; D99-W103 VanDerWaalsContact O-CD1 3.24Å; D99-W103 PolarHBondContact O-N 3.34Å; D99-W103 PolarHBondContact OD1-NE1 3.46Å |
| 100 | L | 95.7 | Very high | 95.1 | Very high | 4 Ų | 4 | 41 Ų | 41 | 2% | 0.021 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.2 | -50.6 | 173.2 | 173.7 | 147.6 | 0 | 0 | 0 | 111.4 | F79 F81 A94 D96 Q97 Q98 E102 W103 V104 | F79-L100 HydrophobicContact CB-CB 4.26Å; F79-L100 HydrophobicContact CB-CD1 4.26Å; F79-L100 WeakPolarHBondContact O-CD1 2.8Å; F81-L100 HydrophobicContact CB-CD1 4.28Å; F81-L100 HydrophobicContact CB-CG 4.5Å; F81-L100 HydrophobicContact CD1-CG 4.44Å; A94-L100 HydrophobicContact CB-CB 3.87Å; A94-L100 VanDerWaalsContact CB-N 3.33Å; D96-L100 PolarHBondContact O-N 2.88Å; Q97-L100 PolarHBondContact O-N 2.73Å; Q98-L100 VanDerWaalsContact C-N 3.33Å; Q98-L100 PolarHBondContact O-N 3.3Å; L100-E102 VanDerWaalsContact C-N 3.31Å; L100-E102 PolarHBondContact O-N 2.72Å; L100-W103 PolarHBondContact O-N 2.99Å; L100-V104 HydrophobicContact CD2-CG2 4.32Å; L100-V104 HydrophobicContact CG-CG2 4.29Å; L100-V104 WeakPolarHBondContact O-CB 3.5Å; L100-V104 VanDerWaalsContact O-CG2 3.25Å; L100-V104 WeakPolarHBondContact O-CG2 3.44Å; L100-V104 PolarHBondContact O-N 3.24Å |
| 101 | V | 96.3 | Very high | 94.9 | Very high | 70 Ų | 70 | 40.8 Ų | 40.8 | 42% | 0.424 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -62.4 | -43.2 | -175.6 | 170.6 | 0 | 0 | 0 | 0 | 110.3 | Q97 Q98 N105 | Q97-V101 WeakPolarHBondContact O-CG2 3.29Å; Q97-V101 PolarHBondContact O-N 2.96Å; Q97-V101 VanDerWaalsContact O-N 3.12Å; Q98-V101 PolarHBondContact O-N 2.85Å; V101-N105 VanDerWaalsContact O-CB 3.23Å; V101-N105 WeakPolarHBondContact O-CB 3.5Å; V101-N105 PolarHBondContact O-N 2.68Å |
| 102 | E | 96.9 | Very high | 94.4 | Very high | 52 Ų | 52 | 47.5 Ų | 47.5 | 24% | 0.243 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.5 | -47.7 | 178.1 | -73.2 | -175.7 | -173.5 | 0 | 0 | 112.2 | M1 P2 Q98 L100 V104 N105 V106 | M1-E102 VanDerWaalsContact CE-CD 3.4Å; M1-E102 WeakPolarHBondContact CE-OE1 3.35Å; M1-E102 VanDerWaalsContact CE-OE2 3.28Å; M1-E102 WeakPolarHBondContact CE-OE2 3.36Å; P2-E102 WeakPolarHBondContact CD-OE2 3.22Å; P2-E102 HydrophobicContact CG-CB 3.61Å; Q98-E102 PolarHBondContact NE2-OE1 2.91Å; Q98-E102 WeakPolarHBondContact O-CG 3.32Å; Q98-E102 PolarHBondContact O-N 3.2Å; L100-E102 VanDerWaalsContact C-N 3.31Å; L100-E102 PolarHBondContact O-N 2.72Å; E102-V104 PolarHBondContact O-N 2.82Å; E102-N105 PolarHBondContact O-N 3.13Å; E102-V106 WeakPolarHBondContact O-CG1 3.33Å; E102-V106 WeakPolarHBondContact O-CG2 3.31Å; E102-V106 PolarHBondContact O-N 3.13Å |
| 103 | W | 97.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.1 | -45.4 | 177.3 | -88.9 | 111.8 | 0 | 0 | 0 | 112.7 | P2 L14 F30 F39 F81 D99 L100 N105 V106 L107 | P2-W103 HydrophobicContact CB-CD2 3.98Å; P2-W103 HydrophobicContact CB-CE3 4.41Å; P2-W103 HydrophobicContact CB-CG 4.45Å; P2-W103 HydrophobicContact CB-CH2 4.33Å; P2-W103 HydrophobicContact CB-CZ2 3.9Å; P2-W103 HydrophobicContact CG-CD2 4.18Å; P2-W103 HydrophobicContact CG-CG 4.16Å; L14-W103 HydrophobicContact CD1-CD2 3.69Å; L14-W103 HydrophobicContact CD1-CE3 4.06Å; L14-W103 HydrophobicContact CD1-CG 4.07Å; L14-W103 HydrophobicContact CD1-CH2 4.36Å; L14-W103 HydrophobicContact CD1-CZ2 4Å; L14-W103 HydrophobicContact CD1-CZ3 4.4Å; L14-W103 VanDerWaalsContact CD2-CD1 3.45Å; L14-W103 HydrophobicContact CD2-CD2 4.29Å; L14-W103 HydrophobicContact CD2-CG 3.94Å; L14-W103 HydrophobicContact CG-CD2 4.17Å; L14-W103 HydrophobicContact CG-CG 4.35Å; L14-W103 HydrophobicContact CG-CZ2 4.09Å; F30-W103 HydrophobicContact CB-CH2 3.79Å; F30-W103 HydrophobicContact CB-CZ2 4.33Å; F39-W103 HydrophobicContact CE2-CH2 4.31Å; F39-W103 AromaticContact CE2-CZ3 3.75Å; F39-W103 HydrophobicContact CE2-CZ3 3.75Å; F39-W103 HydrophobicContact CZ-CZ3 4.06Å; F81-W103 HydrophobicContact CE1-CB 4.08Å; F81-W103 HydrophobicContact CZ-CB 3.97Å; D99-W103 WeakPolarHBondContact O-CB 3Å; D99-W103 VanDerWaalsContact O-CD1 3.24Å; D99-W103 PolarHBondContact O-N 3.34Å; D99-W103 PolarHBondContact OD1-NE1 3.46Å; L100-W103 PolarHBondContact O-N 2.99Å; W103-N105 VanDerWaalsContact C-N 3.31Å; W103-N105 PolarHBondContact O-N 2.74Å; W103-V106 HydrophobicContact CE3-CG2 3.97Å; W103-V106 WeakPolarHBondContact O-CG2 3.33Å; W103-L107 HydrophobicContact CE3-CD1 4.31Å; W103-L107 HydrophobicContact CE3-CG 4.38Å; W103-L107 WeakPolarHBondContact O-CB 3.18Å; W103-L107 WeakPolarHBondContact O-CD1 3.37Å; W103-L107 WeakPolarHBondContact O-CG 3.29Å; W103-L107 PolarHBondContact O-N 2.87Å |
| 104 | V | 96.4 | Very high | 91.6 | Very high | 22 Ų | 22 | 52.8 Ų | 52.8 | 13% | 0.133 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.5 | -40.2 | 176.8 | 171.5 | 0 | 0 | 0 | 0 | 110.7 | V67 F81 L100 E102 N108 | V67-V104 HydrophobicContact CG1-CG1 4.48Å; V67-V104 HydrophobicContact CG1-CG2 4.32Å; F81-V104 HydrophobicContact CB-CG2 3.67Å; F81-V104 HydrophobicContact CD1-CG2 4.34Å; F81-V104 HydrophobicContact CD2-CG2 4.02Å; F81-V104 HydrophobicContact CG-CG2 3.77Å; L100-V104 HydrophobicContact CD2-CG2 4.32Å; L100-V104 HydrophobicContact CG-CG2 4.29Å; L100-V104 WeakPolarHBondContact O-CB 3.5Å; L100-V104 VanDerWaalsContact O-CG2 3.25Å; L100-V104 WeakPolarHBondContact O-CG2 3.44Å; L100-V104 PolarHBondContact O-N 3.24Å; E102-V104 PolarHBondContact O-N 2.82Å; V104-N108 WeakPolarHBondContact CG1-ND2 3.17Å; V104-N108 VanDerWaalsContact O-CB 3.24Å; V104-N108 WeakPolarHBondContact O-CB 3.3Å; V104-N108 PolarHBondContact O-N 2.85Å; V104-N108 PolarHBondContact O-ND2 3.35Å |
| 105 | N | 95.8 | Very high | 89.5 | Confident | 103 Ų | 103 | 57.6 Ų | 57.6 | 55% | 0.551 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -67.2 | -51.3 | 179 | -173.2 | 1 | 0 | 0 | 0 | 112 | V101 E102 W103 L107 N108 K109 | V101-N105 VanDerWaalsContact O-CB 3.23Å; V101-N105 WeakPolarHBondContact O-CB 3.5Å; V101-N105 PolarHBondContact O-N 2.68Å; E102-N105 PolarHBondContact O-N 3.13Å; W103-N105 VanDerWaalsContact C-N 3.31Å; W103-N105 PolarHBondContact O-N 2.74Å; N105-L107 VanDerWaalsContact C-N 3.34Å; N105-L107 PolarHBondContact O-N 2.91Å; N105-N108 PolarHBondContact O-N 3Å; N105-K109 WeakPolarHBondContact O-CB 3.23Å; N105-K109 PolarHBondContact O-N 2.73Å |
| 106 | V | 95.8 | Very high | 87.4 | Confident | 31 Ų | 31 | 59.3 Ų | 59.3 | 19% | 0.188 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.3 | -39.5 | -178 | -61.7 | 0 | 0 | 0 | 0 | 112 | I10 L32 E102 W103 K109 A110 | I10-V106 HydrophobicContact CD1-CB 3.72Å; I10-V106 HydrophobicContact CD1-CG1 3.83Å; I10-V106 HydrophobicContact CD1-CG2 4.43Å; I10-V106 HydrophobicContact CG2-CB 4.42Å; I10-V106 HydrophobicContact CG2-CG1 4.5Å; I10-V106 HydrophobicContact CG2-CG2 4.08Å; L32-V106 HydrophobicContact CD2-CB 4.4Å; L32-V106 HydrophobicContact CD2-CG2 4.19Å; E102-V106 WeakPolarHBondContact O-CG1 3.33Å; E102-V106 WeakPolarHBondContact O-CG2 3.31Å; E102-V106 PolarHBondContact O-N 3.13Å; W103-V106 HydrophobicContact CE3-CG2 3.97Å; W103-V106 WeakPolarHBondContact O-CG2 3.33Å; V106-K109 PolarHBondContact O-N 3.13Å; V106-A110 VanDerWaalsContact O-CB 3.3Å; V106-A110 WeakPolarHBondContact O-CB 3.45Å; V106-A110 PolarHBondContact O-N 2.84Å |
| 107 | L | 95.7 | Very high | 84.9 | Confident | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -66.6 | -46.3 | 175.4 | -74.2 | 167.3 | 0 | 0 | 0 | 111.3 | L32 F39 V67 F81 W103 N105 K109 A110 I111 | L32-L107 HydrophobicContact CD1-CD2 4.19Å; L32-L107 HydrophobicContact CD2-CD2 3.99Å; L32-L107 HydrophobicContact CD2-CG 4.48Å; F39-L107 HydrophobicContact CD1-CD2 4.31Å; F39-L107 HydrophobicContact CD2-CD2 4.1Å; F39-L107 HydrophobicContact CE1-CD2 4.14Å; F39-L107 HydrophobicContact CE2-CD2 3.93Å; F39-L107 HydrophobicContact CG-CD2 4.28Å; F39-L107 HydrophobicContact CZ-CD1 4.31Å; F39-L107 HydrophobicContact CZ-CD2 3.93Å; V67-L107 HydrophobicContact CB-CB 4.44Å; V67-L107 HydrophobicContact CG1-CB 4.28Å; V67-L107 HydrophobicContact CG1-CD1 4.16Å; V67-L107 HydrophobicContact CG2-CB 4.05Å; F81-L107 HydrophobicContact CE2-CD1 3.8Å; F81-L107 HydrophobicContact CZ-CD1 4.3Å; W103-L107 HydrophobicContact CE3-CD1 4.31Å; W103-L107 HydrophobicContact CE3-CG 4.38Å; W103-L107 WeakPolarHBondContact O-CB 3.18Å; W103-L107 WeakPolarHBondContact O-CD1 3.37Å; W103-L107 WeakPolarHBondContact O-CG 3.29Å; W103-L107 PolarHBondContact O-N 2.87Å; N105-L107 VanDerWaalsContact C-N 3.34Å; N105-L107 PolarHBondContact O-N 2.91Å; L107-K109 VanDerWaalsContact C-N 3.27Å; L107-K109 PolarHBondContact O-N 3.25Å; L107-A110 WeakPolarHBondContact O-CB 3.39Å; L107-A110 PolarHBondContact O-N 2.99Å; L107-A110 VanDerWaalsContact O-N 3.17Å; L107-I111 WeakPolarHBondContact O-CG2 3.13Å; L107-I111 PolarHBondContact O-N 3.38Å |
| 108 | N | 94.8 | Very high | 82.6 | Confident | 40 Ų | 40 | 70.6 Ų | 70.6 | 21% | 0.214 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -62.8 | -33.7 | 176.9 | -83.6 | -52.9 | 0 | 0 | 0 | 112.7 | V67 V104 N105 I111 K112 | V67-N108 PolarHBondContact O-ND2 3.42Å; V67-N108 PolarHBondContact O-OD1 2.93Å; V104-N108 WeakPolarHBondContact CG1-ND2 3.17Å; V104-N108 VanDerWaalsContact O-CB 3.24Å; V104-N108 WeakPolarHBondContact O-CB 3.3Å; V104-N108 PolarHBondContact O-N 2.85Å; V104-N108 PolarHBondContact O-ND2 3.35Å; N105-N108 PolarHBondContact O-N 3Å; N108-I111 WeakPolarHBondContact O-CG1 3.25Å; N108-K112 WeakPolarHBondContact O-CD 3.48Å; N108-K112 VanDerWaalsContact O-CG 3.22Å; N108-K112 WeakPolarHBondContact O-CG 3.11Å; N108-K112 PolarHBondContact O-N 3.22Å |
| 109 | K | 93.2 | Very high | 79.9 | Confident | 137 Ų | 137 | 70.6 Ų | 70.6 | 60% | 0.596 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -68.4 | -44.2 | 173.5 | -174 | 177.3 | 179.3 | -178.7 | 0 | 111 | N105 V106 L107 K112 I113 | N105-K109 WeakPolarHBondContact O-CB 3.23Å; N105-K109 PolarHBondContact O-N 2.73Å; V106-K109 PolarHBondContact O-N 3.13Å; L107-K109 VanDerWaalsContact C-N 3.27Å; L107-K109 PolarHBondContact O-N 3.25Å; K109-K112 PolarHBondContact O-N 3.4Å; K109-I113 HydrophobicContact CG-CD1 4.09Å; K109-I113 WeakPolarHBondContact O-CG1 3.3Å; K109-I113 PolarHBondContact O-N 3.25Å |
| 110 | A | 91.4 | Very high | 77.5 | Confident | 2 Ų | 2 | 79 Ų | 79 | 2% | 0.017 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -60.8 | -47.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L32 T34 L61 V106 L107 K112 I113 T114 | L32-A110 HydrophobicContact CD1-CB 4.03Å; L32-A110 HydrophobicContact CD2-CB 4Å; L32-A110 HydrophobicContact CG-CB 4.41Å; T34-A110 HydrophobicContact CG2-CB 3.71Å; L61-A110 HydrophobicContact CD1-CB 4.14Å; V106-A110 VanDerWaalsContact O-CB 3.3Å; V106-A110 WeakPolarHBondContact O-CB 3.45Å; V106-A110 PolarHBondContact O-N 2.84Å; L107-A110 WeakPolarHBondContact O-CB 3.39Å; L107-A110 PolarHBondContact O-N 2.99Å; L107-A110 VanDerWaalsContact O-N 3.17Å; A110-K112 VanDerWaalsContact C-N 3.28Å; A110-K112 PolarHBondContact O-N 2.87Å; A110-I113 PolarHBondContact O-N 3.22Å; A110-T114 PolarHBondContact O-N 3.25Å; A110-T114 PolarHBondContact O-OG1 3.38Å |
| 111 | I | 90.6 | Very high | 74.7 | Confident | 20 Ų | 20 | 83.8 Ų | 83.8 | 10% | 0.103 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -67.7 | -25.5 | -179.8 | 67.6 | 179.8 | 0 | 0 | 0 | 113.5 | L61 I64 L107 N108 T114 | L61-I111 HydrophobicContact CB-CG2 4.48Å; I64-I111 HydrophobicContact CB-CG2 3.78Å; I64-I111 HydrophobicContact CD1-CG2 4.39Å; I64-I111 HydrophobicContact CG2-CG2 3.83Å; L107-I111 WeakPolarHBondContact O-CG2 3.13Å; L107-I111 PolarHBondContact O-N 3.38Å; N108-I111 WeakPolarHBondContact O-CG1 3.25Å; I111-T114 WeakPolarHBondContact CA-OG1 3.38Å; I111-T114 PolarHBondContact O-OG1 2.77Å |
| 112 | K | 84.3 | Confident | 71.8 | Confident | 161 Ų | 161 | 89.4 Ų | 89.4 | 70% | 0.7 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -74.2 | -34.7 | 175.8 | -77.2 | 174.2 | -176.7 | -178.5 | 0 | 112.2 | N108 K109 A110 T114 | N108-K112 WeakPolarHBondContact O-CD 3.48Å; N108-K112 VanDerWaalsContact O-CG 3.22Å; N108-K112 WeakPolarHBondContact O-CG 3.11Å; N108-K112 PolarHBondContact O-N 3.22Å; K109-K112 PolarHBondContact O-N 3.4Å; A110-K112 VanDerWaalsContact C-N 3.28Å; A110-K112 PolarHBondContact O-N 2.87Å; K112-T114 VanDerWaalsContact C-N 3.28Å |
| 113 | I | 66.6 | Low | 69.2 | Low | 110 Ų | 110 | 92.5 Ų | 92.5 | 56% | 0.564 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -70.8 | -28.5 | 179.3 | -66.7 | 166 | 0 | 0 | 0 | 110.6 | K109 A110 V115 | K109-I113 HydrophobicContact CG-CD1 4.09Å; K109-I113 WeakPolarHBondContact O-CG1 3.3Å; K109-I113 PolarHBondContact O-N 3.25Å; A110-I113 PolarHBondContact O-N 3.22Å; I113-V115 VanDerWaalsContact C-N 3.32Å; I113-V115 PolarHBondContact O-N 2.75Å |
| 114 | T | 63.6 | Low | 66 | Low | 31 Ų | 31 | 100.5 Ų | 100.5 | 19% | 0.19 | 54% | 0.535 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | 1 | -177 | 50.5 | 0 | 0 | 0 | 0 | 115.2 | L61 A110 I111 K112 P116 | L61-T114 HydrophobicContact CB-CG2 4.14Å; L61-T114 HydrophobicContact CD1-CG2 4.14Å; A110-T114 PolarHBondContact O-N 3.25Å; A110-T114 PolarHBondContact O-OG1 3.38Å; I111-T114 WeakPolarHBondContact CA-OG1 3.38Å; I111-T114 PolarHBondContact O-OG1 2.77Å; K112-T114 VanDerWaalsContact C-N 3.28Å; T114-P116 VanDerWaalsContact O-CD 3.29Å; T114-P116 WeakPolarHBondContact O-CD 3.17Å |
| 115 | V | 51.4 | Low | 63.2 | Low | 103 Ų | 103 | 103.7 Ų | 103.7 | 62% | 0.624 | 56% | 0.558 | S | S | * | * | S | Bend | trans | -84.4 | 110.3 | 169 | -176.8 | 0 | 0 | 0 | 0 | 107.8 | I113 K117 | I113-V115 VanDerWaalsContact C-N 3.32Å; I113-V115 PolarHBondContact O-N 2.75Å; V115-K117 PolarHBondContact O-N 3.05Å; V115-K117 VanDerWaalsContact O-N 3.11Å |
| 116 | P | 48.9 | Very low | 60.2 | Low | 107 Ų | 107 | 105.1 Ų | 105.1 | 70% | 0.695 | 57% | 0.566 | S | S | * | * | trans | -60 | 121.8 | 173.8 | -15.4 | 29.6 | 0 | 0 | 0 | 107.8 | T114 Q118 | T114-P116 VanDerWaalsContact O-CD 3.29Å; T114-P116 WeakPolarHBondContact O-CD 3.17Å; P116-Q118 VanDerWaalsContact C-N 3.34Å; P116-Q118 PolarHBondContact O-N 2.9Å | ||
| 117 | K | 42.7 | Very low | 57.1 | Low | 205 Ų | 205 | 110.5 Ų | 110.5 | 89% | 0.891 | 59% | 0.593 | S | S | * | * | trans | -60.7 | 103.6 | 160.7 | -80.9 | -178.9 | 174 | -178.4 | 0 | 106.2 | V115 S119 | V115-K117 PolarHBondContact O-N 3.05Å; V115-K117 VanDerWaalsContact O-N 3.11Å; K117-S119 PolarHBondContact O-N 2.78Å; K117-S119 VanDerWaalsContact O-N 3.09Å | ||
| 118 | Q | 46.6 | Very low | 54.1 | Low | 185 Ų | 185 | 117.8 Ų | 117.8 | 86% | 0.864 | 63% | 0.632 | S | S | * | * | trans | -60.2 | 113.8 | 161.9 | -72.9 | -171.2 | -34.1 | 0 | 0 | 106.2 | P116 D120 | P116-Q118 VanDerWaalsContact C-N 3.34Å; P116-Q118 PolarHBondContact O-N 2.9Å; Q118-D120 PolarHBondContact O-N 3.48Å | ||
| 119 | S | 37.7 | Very low | 51 | Low | 100 Ų | 100 | 120.1 Ų | 120.1 | 70% | 0.699 | 65% | 0.651 | S | S | * | * | trans | -63.1 | 122.1 | 170.5 | 46.2 | 0 | 0 | 0 | 0 | 108.6 | K117 S121 | K117-S119 PolarHBondContact O-N 2.78Å; K117-S119 VanDerWaalsContact O-N 3.09Å; S119-S121 PolarHBondContact O-N 2.84Å | ||
| 120 | D | 45.9 | Very low | 48 | Very low | 176 Ų | 176 | 125.1 Ų | 125.1 | 94% | 0.941 | 67% | 0.666 | S | S | * | * | trans | -58.1 | 114.6 | 161.5 | -84.8 | -45.1 | 0 | 0 | 0 | 108.8 | Q118 | Q118-D120 PolarHBondContact O-N 3.48Š| ||
| 121 | S | 36.9 | Very low | 45.2 | Very low | 104 Ų | 104 | 133.7 Ų | 133.7 | 73% | 0.727 | 71% | 0.706 | S | S | * | * | trans | -144.5 | 106 | 161.7 | 38.8 | 0 | 0 | 0 | 0 | 108.7 | S119 | S119-S121 PolarHBondContact O-N 2.84Š| ||
| 122 | Q | 34.6 | Very low | 42.3 | Very low | 189 Ų | 189 | 136.1 Ų | 136.1 | 88% | 0.883 | 74% | 0.736 | S | S | * | * | trans | -56.6 | 156.9 | 169.1 | -97.8 | 176.3 | -84.3 | 0 | 0 | 112 | ||||
| 123 | P | 42.1 | Very low | 39.8 | Very low | 116 Ų | 116 | 136.6 Ų | 136.6 | 75% | 0.753 | 74% | 0.741 | S | S | * | * | trans | -80.8 | 139.9 | -178.5 | 34.4 | -31.1 | 0 | 0 | 0 | 109.9 | ||||
| 124 | N | 31 | Very low | 38 | Very low | 169 Ų | 169 | 137.4 Ų | 137.4 | 90% | 0.904 | 76% | 0.755 | S | S | * | * | trans | -147.6 | 141.4 | 154.6 | -128.7 | 0.7 | 0 | 0 | 0 | 111.2 | ||||
| 125 | S | 37 | Very low | 36.4 | Very low | 88 Ų | 88 | 139.1 Ų | 139.1 | 62% | 0.615 | 78% | 0.779 | S | S | * | * | trans | -81.8 | 161.5 | -166.7 | 65.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 126 | D | 32.6 | Very low | 35.6 | Very low | 134 Ų | 134 | 144.2 Ų | 144.2 | 72% | 0.717 | 79% | 0.792 | S | S | * | * | trans | 91.8 | 112.2 | 144.3 | -62.6 | -39.1 | 0 | 0 | 0 | 121.8 | ||||
| 127 | N | 31.3 | Very low | 35 | Very low | 143 Ų | 143 | 149.2 Ų | 149.2 | 77% | 0.765 | 80% | 0.803 | S | S | * | * | 103 | 110.7 | 128.3 | -83.2 | -47.9 | 0 | 0 | 0 | 121.7 | |||||
| 128 | L | 32.5 | Very low | 34.9 | Very low | 153 Ų | 153 | 148.4 Ų | 148.4 | 80% | 0.801 | 80% | 0.803 | S | S | * | * | 92.4 | 106.3 | 126 | -147.4 | 67.7 | 0 | 0 | 0 | 121 | |||||
| 129 | S | 29.9 | Very low | 35.2 | Very low | 90 Ų | 90 | 144 Ų | 144 | 63% | 0.629 | 79% | 0.788 | S | S | * | * | trans | 82.7 | 123.4 | 135.8 | 65.6 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 130 | R | 30.2 | Very low | 35.7 | Very low | 241 Ų | 241 | 143.1 Ų | 143.1 | 91% | 0.909 | 78% | 0.782 | S | S | * | * | trans | 76.7 | 115.4 | 133.6 | -73.5 | -178 | 175.2 | -160.4 | -1.5 | 120.3 | ||||
| 131 | H | 33.1 | Very low | 36 | Very low | 182 Ų | 182 | 142 Ų | 142 | 84% | 0.843 | 77% | 0.766 | S | S | * | * | trans | 88.2 | 115.8 | 133.7 | -133.7 | 0.6 | 0 | 0 | 0 | 119.5 | ||||
| 132 | G | 29.7 | Very low | 37 | Very low | 72 Ų | 72 | 146 Ų | 146 | 74% | 0.742 | 77% | 0.765 | S | S | * | * | trans | 172.5 | 101.6 | 160.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 133 | E | 30.5 | Very low | 37.6 | Very low | 170 Ų | 170 | 140.6 Ų | 140.6 | 79% | 0.794 | 75% | 0.745 | S | S | * | * | trans | -56.6 | 164.6 | 169.8 | -65.7 | 173.3 | 82.4 | 0 | 0 | 110.9 | ||||
| 134 | C | 28.8 | Very low | 38.3 | Very low | 128 Ų | 128 | 140.5 Ų | 140.5 | 87% | 0.865 | 74% | 0.738 | S | S | * | * | 169.2 | 151.2 | 55.3 | -170.3 | 0 | 0 | 0 | 0 | 104.7 | |||||
| 135 | G | 30.4 | Very low | 39.5 | Very low | 67 Ų | 67 | 138.3 Ų | 138.3 | 69% | 0.691 | 73% | 0.725 | S | S | * | * | cis | -174 | 138.9 | -0.5 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 136 | K | 34.4 | Very low | 40.3 | Very low | 209 Ų | 209 | 140.3 Ų | 140.3 | 91% | 0.909 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -97.8 | 129.1 | 159.1 | -70.6 | -178.9 | -178.8 | 176.6 | 0 | 106.4 | Q138 | K136-Q138 PolarHBondContact O-N 2.84Š|
| 137 | K | 38.2 | Very low | 41.4 | Very low | 212 Ų | 212 | 138 Ų | 138 | 92% | 0.922 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 116.4 | -173 | -62.4 | 176.7 | -180 | -178.8 | 0 | 110.9 | ||
| 138 | Q | 40.4 | Very low | 42.3 | Very low | 188 Ų | 188 | 134.3 Ų | 134.3 | 88% | 0.879 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -91.8 | 123.1 | 170.3 | -176.1 | 175.1 | -10.5 | 0 | 0 | 108.2 | K136 | K136-Q138 PolarHBondContact O-N 2.84Š|
| 139 | V | 51.7 | Low | 42.8 | Very low | 92 Ų | 92 | 131.8 Ų | 131.8 | 56% | 0.558 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -87.7 | 125.3 | 173.5 | 178.3 | 0 | 0 | 0 | 0 | 108 | Y141 | V139-Y141 HydrophobicContact CB-CE2 4.44Å; V139-Y141 HydrophobicContact CG1-CE1 4.39Å; V139-Y141 HydrophobicContact CG1-CE2 4.31Å |
| 140 | S | 48.3 | Very low | 43.2 | Very low | 82 Ų | 82 | 131.4 Ų | 131.4 | 57% | 0.573 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -88 | 131.6 | 176.6 | 57.1 | 0 | 0 | 0 | 0 | 111.2 | ||
| 141 | Y | 52.5 | Low | 44.3 | Very low | 153 Ų | 153 | 125.8 Ų | 125.8 | 60% | 0.6 | 71% | 0.71 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -109.5 | 138.3 | 172.4 | -57 | -87.3 | 0 | 0 | 0 | 109.3 | V139 I152 P154 | V139-Y141 HydrophobicContact CB-CE2 4.44Å; V139-Y141 HydrophobicContact CG1-CE1 4.39Å; V139-Y141 HydrophobicContact CG1-CE2 4.31Å; Y141-I152 HydrophobicContact CD1-CG2 4.07Å; Y141-I152 HydrophobicContact CG-CG2 4.14Å; Y141-P154 HydrophobicContact CD1-CB 4.17Å; Y141-P154 HydrophobicContact CE1-CB 4.24Å |
| 142 | R | 58.4 | Low | 45 | Very low | 189 Ų | 189 | 122.1 Ų | 122.1 | 71% | 0.713 | 70% | 0.695 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -108.1 | 136.4 | 171.7 | -119.2 | -177 | -177.4 | 176 | 0.1 | 109.3 | T153 | R142-T153 PolarHBondContact O-N 3.41Å |
| 143 | T | 46.3 | Very low | 45.9 | Very low | 75 Ų | 75 | 123.1 Ų | 123.1 | 46% | 0.46 | 69% | 0.687 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -111.3 | 123 | 179.1 | -50 | 0 | 0 | 0 | 0 | 108.5 | P150 I152 | T143-P150 HydrophobicContact CG2-CB 3.71Å; T143-I152 HydrophobicContact CG2-CG1 4.09Å |
| 144 | D | 57.3 | Low | 46.4 | Very low | 114 Ų | 114 | 119 Ų | 119 | 61% | 0.61 | 68% | 0.675 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -114.8 | 147.5 | 171.4 | -71.1 | -47.5 | 0 | 0 | 0 | 109.7 | I151 | D144-I151 PolarHBondContact N-O 2.9Å; D144-I151 PolarHBondContact O-N 3.45Å; D144-I151 VanDerWaalsContact O-N 3.15Å |
| 145 | I | 56.3 | Low | 46.9 | Very low | 123 Ų | 123 | 117.5 Ų | 117.5 | 63% | 0.631 | 66% | 0.662 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -114 | 115.6 | 177.8 | -57.3 | 176.6 | 0 | 0 | 0 | 108.1 | P150 | I145-P150 HydrophobicContact CG1-CB 4.27Å |
| 146 | V | 54.6 | Low | 47.3 | Very low | 129 Ų | 129 | 124 Ų | 124 | 78% | 0.782 | 67% | 0.674 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -122.9 | 117.8 | 173 | -176.4 | 0 | 0 | 0 | 0 | 107.9 | G148 | V146-G148 VanDerWaalsContact C-N 3.33Å; V146-G148 PolarHBondContact O-N 3.09Å |
| 147 | G | 55.3 | Low | 47.4 | Very low | 87 Ų | 87 | 124 Ų | 124 | 90% | 0.897 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 71.7 | 16.2 | 178 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 148 | G | 49.9 | Very low | 47.2 | Very low | 64 Ų | 64 | 123.3 Ų | 123.3 | 66% | 0.66 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 99.6 | 8.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | V146 | V146-G148 VanDerWaalsContact C-N 3.33Å; V146-G148 PolarHBondContact O-N 3.09Å |
| 149 | V | 43 | Very low | 46.8 | Very low | 100 Ų | 100 | 123.2 Ų | 123.2 | 61% | 0.606 | 67% | 0.674 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -128.4 | 133.9 | 175.1 | -176 | 0 | 0 | 0 | 0 | 110.3 | ||
| 150 | P | 38.4 | Very low | 45.8 | Very low | 82 Ų | 82 | 124.1 Ų | 124.1 | 53% | 0.532 | 68% | 0.679 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -82.4 | 132.8 | 179.1 | 29.6 | -31.4 | 0 | 0 | 0 | 112.8 | T143 I145 | T143-P150 HydrophobicContact CG2-CB 3.71Å; I145-P150 HydrophobicContact CG1-CB 4.27Å |
| 151 | I | 52 | Low | 44.8 | Very low | 124 Ų | 124 | 127.2 Ų | 127.2 | 64% | 0.636 | 69% | 0.69 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -119.7 | 138.4 | 170.8 | -59.3 | -178.8 | 0 | 0 | 0 | 109.5 | D144 | D144-I151 PolarHBondContact N-O 2.9Å; D144-I151 PolarHBondContact O-N 3.45Å; D144-I151 VanDerWaalsContact O-N 3.15Å |
| 152 | I | 48.5 | Very low | 44 | Very low | 104 Ų | 104 | 128 Ų | 128 | 53% | 0.533 | 70% | 0.699 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -115.2 | 122.6 | -175.6 | -54.5 | -179.8 | 0 | 0 | 0 | 110.1 | Y141 T143 | Y141-I152 HydrophobicContact CD1-CG2 4.07Å; Y141-I152 HydrophobicContact CG-CG2 4.14Å; T143-I152 HydrophobicContact CG2-CG1 4.09Å |
| 153 | T | 49.2 | Very low | 42.7 | Very low | 93 Ų | 93 | 124.6 Ų | 124.6 | 57% | 0.571 | 70% | 0.702 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -129.6 | 136.2 | 175.9 | -55 | 0 | 0 | 0 | 0 | 111.4 | R142 | R142-T153 PolarHBondContact O-N 3.41Å |
| 154 | P | 39.7 | Very low | 41.9 | Very low | 84 Ų | 84 | 124.5 Ų | 124.5 | 55% | 0.545 | 72% | 0.716 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -80.4 | 142.8 | 178.3 | 30.5 | -32.9 | 0 | 0 | 0 | 112.9 | Y141 | Y141-P154 HydrophobicContact CD1-CB 4.17Å; Y141-P154 HydrophobicContact CE1-CB 4.24Å |
| 155 | T | 40.3 | Very low | 40.6 | Very low | 97 Ų | 97 | 126.1 Ų | 126.1 | 60% | 0.595 | 72% | 0.72 | S | S | * | * | trans | -103 | 130.3 | -176.7 | -2.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 156 | Q | 38.3 | Very low | 39.3 | Very low | 203 Ų | 203 | 130.1 Ų | 130.1 | 95% | 0.949 | 73% | 0.727 | S | S | * | * | trans | -129 | 141.5 | 163.6 | -74.8 | -170.7 | 59.7 | 0 | 0 | 110.8 | ||||
| 157 | K | 36.6 | Very low | 38.4 | Very low | 210 Ų | 210 | 131.4 Ų | 131.4 | 91% | 0.913 | 73% | 0.728 | S | S | * | * | trans | -93.1 | 133.9 | -174.4 | -68 | 175.8 | 172.3 | -175.5 | 0 | 110.5 | ||||
| 158 | E | 33.6 | Very low | 37.3 | Very low | 196 Ų | 196 | 134 Ų | 134 | 92% | 0.916 | 72% | 0.721 | S | S | * | * | trans | -143.4 | 128.5 | 161.1 | -101.4 | 178.4 | 173.4 | 0 | 0 | 109.1 | ||||
| 159 | E | 31.8 | Very low | 36.7 | Very low | 187 Ų | 187 | 141.1 Ų | 141.1 | 87% | 0.874 | 73% | 0.728 | S | S | * | * | trans | -146 | 138 | 166.6 | -84.8 | -169.7 | -167.3 | 0 | 0 | 103.9 | ||||
| 160 | V | 31.5 | Very low | 36.2 | Very low | 110 Ų | 110 | 143.4 Ų | 143.4 | 67% | 0.667 | 74% | 0.737 | S | S | * | * | cis | -170.2 | 141 | 22.5 | 129.8 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 161 | N | 26.4 | Very low | 35.8 | Very low | 148 Ų | 148 | 146.3 Ų | 146.3 | 79% | 0.791 | 75% | 0.748 | S | S | * | * | 177 | 135.6 | 108.8 | -121 | -19.9 | 0 | 0 | 0 | 115.4 | |||||
| 162 | E | 36 | Very low | 35 | Very low | 170 Ų | 170 | 147.8 Ų | 147.8 | 79% | 0.794 | 76% | 0.756 | S | S | * | * | trans | -56.1 | 174.5 | -179.6 | -84 | 175.1 | 80.1 | 0 | 0 | 118.6 | ||||
| 163 | C | 31.5 | Very low | 34.6 | Very low | 116 Ų | 116 | 152 Ų | 152 | 78% | 0.784 | 77% | 0.771 | S | S | * | * | cis | -166.7 | 170 | -18 | 68.1 | 0 | 0 | 0 | 0 | 108 | ||||
| 164 | G | 29.1 | Very low | 33.8 | Very low | 73 Ų | 73 | 158.7 Ų | 158.7 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | trans | 169.4 | 66 | 168.1 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 165 | E | 30.6 | Very low | 33.7 | Very low | 148 Ų | 148 | 160.1 Ų | 160.1 | 69% | 0.692 | 80% | 0.798 | S | S | * | * | trans | 36.3 | 125.1 | 149.7 | -66.8 | -158 | 126.2 | 0 | 0 | 125.9 | ||||
| 166 | R | 29.7 | Very low | 33.3 | Very low | 207 Ų | 207 | 163.3 Ų | 163.3 | 78% | 0.781 | 81% | 0.806 | S | S | * | * | 65.2 | 123.3 | 129.3 | -57.4 | 179.7 | -167.2 | -154.3 | 7.1 | 122.2 | |||||
| 167 | I | 34.7 | Very low | 33.5 | Very low | 157 Ų | 157 | 157.7 Ų | 157.7 | 81% | 0.805 | 79% | 0.789 | S | S | * | * | 168.1 | 149.5 | 101.2 | -77 | -172.4 | 0 | 0 | 0 | 110.1 | |||||
| 168 | D | 32.3 | Very low | 33.4 | Very low | 140 Ų | 140 | 155.9 Ų | 155.9 | 75% | 0.749 | 78% | 0.783 | S | S | * | * | trans | -50.8 | 136.7 | -165.7 | -61 | -79.1 | 0 | 0 | 0 | 121.9 | ||||
| 169 | R | 37.5 | Very low | 33.7 | Very low | 215 Ų | 215 | 154.5 Ų | 154.5 | 81% | 0.811 | 78% | 0.782 | S | S | * | * | 22.1 | 111.3 | 118 | -155 | 179 | -175.1 | 171.8 | 1.4 | 117.8 | |||||
| 170 | N | 31.7 | Very low | 34.5 | Very low | 148 Ų | 148 | 149.6 Ų | 149.6 | 79% | 0.791 | 77% | 0.766 | S | S | * | * | -174.8 | 150.3 | 116.8 | -99.2 | -21 | 0 | 0 | 0 | 115.7 | |||||
| 171 | N | 31.7 | Very low | 34.7 | Very low | 143 Ų | 143 | 155.4 Ų | 155.4 | 77% | 0.765 | 78% | 0.777 | S | S | * | * | trans | -68.4 | 155.9 | -178.1 | -67.5 | -84.8 | 0 | 0 | 0 | 114.1 | ||||
| 172 | L | 34.4 | Very low | 35.5 | Very low | 154 Ų | 154 | 157.8 Ų | 157.8 | 81% | 0.806 | 78% | 0.781 | S | S | * | * | 143 | 126.3 | 112.3 | -166 | 62.4 | 0 | 0 | 0 | 113.3 | |||||
| 173 | K | 40.6 | Very low | 35.7 | Very low | 192 Ų | 192 | 155.2 Ų | 155.2 | 84% | 0.835 | 78% | 0.777 | S | S | * | * | trans | -3.1 | 129.2 | 155.3 | -78.2 | 157.8 | 161.5 | 170.6 | 0 | 117.3 | ||||
| 174 | R | 31.4 | Very low | 36.2 | Very low | 234 Ų | 234 | 155.7 Ų | 155.7 | 88% | 0.883 | 78% | 0.779 | S | S | * | * | trans | -160.5 | 124 | 137.1 | -169 | 168 | -105.4 | -166.6 | -6.2 | 111.8 | ||||
| 175 | S | 37.8 | Very low | 36.5 | Very low | 114 Ų | 114 | 160.4 Ų | 160.4 | 80% | 0.797 | 78% | 0.779 | S | S | * | * | trans | -69 | 137.5 | 167.9 | -44.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 176 | Q | 31.9 | Very low | 37 | Very low | 164 Ų | 164 | 158.2 Ų | 158.2 | 77% | 0.766 | 78% | 0.777 | S | S | * | * | trans | -163.3 | 127.4 | 142.7 | -143.2 | 159 | -3.4 | 0 | 0 | 111.8 | ||||
| 177 | S | 43 | Very low | 37.7 | Very low | 86 Ų | 86 | 154.2 Ų | 154.2 | 60% | 0.601 | 78% | 0.778 | S | S | * | * | trans | -40.7 | 151.2 | 163 | 51.2 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 178 | H | 34.2 | Very low | 38.1 | Very low | 171 Ų | 171 | 154.5 Ų | 154.5 | 79% | 0.792 | 78% | 0.776 | S | S | * | * | -176 | 129.8 | 125.6 | -66.3 | -49 | 0 | 0 | 0 | 109.6 | |||||
| 179 | L | 39.2 | Very low | 39.1 | Very low | 167 Ų | 167 | 155.3 Ų | 155.3 | 87% | 0.874 | 78% | 0.78 | S | S | * | * | trans | -107.2 | 173.3 | 167.9 | -143.3 | 95 | 0 | 0 | 0 | 107.4 | ||||
| 180 | P | 50.5 | Low | 40.4 | Very low | 84 Ų | 84 | 147.7 Ų | 147.7 | 55% | 0.545 | 76% | 0.76 | S | S | . | * | cis | -119.5 | 158.6 | -32.1 | 28.5 | -10.7 | 0 | 0 | 0 | 111.9 | ||||
| 181 | Y | 34 | Very low | 43 | Very low | 232 Ų | 232 | 143.6 Ų | 143.6 | 91% | 0.91 | 75% | 0.747 | S | S | * | * | trans | -112.8 | 114.8 | 151.1 | -89.3 | -87 | 0 | 0 | 0 | 108.1 | T183 | Y181-T183 PolarHBondContact O-N 3.03Å; Y181-T183 VanDerWaalsContact O-N 3.14Å | ||
| 182 | F | 44.2 | Very low | 45.9 | Very low | 198 Ų | 198 | 140 Ų | 140 | 87% | 0.868 | 73% | 0.73 | S | S | * | * | trans | -61.3 | 107.7 | 167.7 | -94.6 | -96.9 | 0 | 0 | 0 | 108.5 | ||||
| 183 | T | 40.3 | Very low | 48.9 | Very low | 117 Ų | 117 | 136.6 Ų | 136.6 | 72% | 0.718 | 71% | 0.712 | S | S | * | * | trans | -94.1 | 135.3 | 153.6 | 48.9 | 0 | 0 | 0 | 0 | 106.8 | Y181 K185 | Y181-T183 PolarHBondContact O-N 3.03Å; Y181-T183 VanDerWaalsContact O-N 3.14Å; T183-K185 PolarHBondContact O-N 2.89Å | ||
| 184 | P | 41.3 | Very low | 51.5 | Low | 126 Ų | 126 | 128.9 Ų | 128.9 | 82% | 0.818 | 68% | 0.678 | S | S | * | * | trans | -62.1 | 113.4 | 176.7 | -7.8 | 20.8 | 0 | 0 | 0 | 107.4 | ||||
| 185 | K | 35.6 | Very low | 54.6 | Low | 171 Ų | 171 | 119.4 Ų | 119.4 | 74% | 0.743 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -53 | 129.6 | 169.4 | -144.4 | 177.4 | -174.4 | 178.9 | 0 | 107 | T183 | T183-K185 PolarHBondContact O-N 2.89Š|
| 186 | P | 40.9 | Very low | 57.3 | Low | 102 Ų | 102 | 114.7 Ų | 114.7 | 66% | 0.662 | 62% | 0.619 | S | S | * | * | P | Polyproline II helix | trans | -54 | 148 | 165.8 | 22.9 | -30.2 | 0 | 0 | 0 | 108.7 | Q188 | P186-Q188 PolarHBondContact O-N 3.25Š|
| 187 | P | 44.5 | Very low | 60.1 | Low | 124 Ų | 124 | 110 Ų | 110 | 81% | 0.805 | 60% | 0.595 | S | S | * | * | S | Bend | trans | -50.1 | 131.8 | -175.5 | 20.3 | -31.3 | 0 | 0 | 0 | 109.4 | D189 | P187-D189 PolarHBondContact O-N 3.28Š|
| 188 | Q | 44 | Very low | 62.5 | Low | 162 Ų | 162 | 106 Ų | 106 | 76% | 0.757 | 57% | 0.567 | S | S | * | * | P | Polyproline II helix | trans | -47.8 | 122.2 | -167.4 | -59.6 | -158.9 | -10.9 | 0 | 0 | 110.9 | P186 S190 | P186-Q188 PolarHBondContact O-N 3.25Å; Q188-S190 PolarHBondContact O-N 3.42Å |
| 189 | D | 53.4 | Low | 65.2 | Low | 157 Ų | 157 | 97.9 Ų | 97.9 | 84% | 0.84 | 53% | 0.529 | S | S | * | . | trans | -46.9 | 115.3 | 158.2 | -69.3 | -45.8 | 0 | 0 | 0 | 106.3 | P187 A191 | P187-D189 PolarHBondContact O-N 3.28Å; D189-A191 PolarHBondContact O-N 3.48Å | ||
| 190 | S | 63.4 | Low | 67.7 | Low | 55 Ų | 55 | 90.5 Ų | 90.5 | 39% | 0.385 | 49% | 0.49 | S | S | . | . | trans | -50.9 | 120.1 | 170.8 | 35.4 | 0 | 0 | 0 | 0 | 106.9 | Q188 V192 D216 | Q188-S190 PolarHBondContact O-N 3.42Å; S190-V192 PolarHBondContact O-N 2.98Å; S190-D216 PolarHBondContact OG-OD2 3.46Å | ||
| 191 | A | 86.8 | Confident | 69.7 | Low | 62 Ų | 62 | 87.5 Ų | 87.5 | 51% | 0.512 | 47% | 0.469 | S | S | . | . | trans | -57.6 | 116.7 | -172.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | D189 I193 | D189-A191 PolarHBondContact O-N 3.48Å; A191-I193 PolarHBondContact O-N 3.05Å; A191-I193 VanDerWaalsContact O-N 3.1Å | ||
| 192 | V | 93.3 | Very high | 72.2 | Confident | 69 Ų | 69 | 77 Ų | 77 | 42% | 0.418 | 43% | 0.431 | S | S | . | . | trans | -64.6 | 113.5 | -178.9 | 179 | 0 | 0 | 0 | 0 | 108.4 | S190 A195 Q214 D216 | S190-V192 PolarHBondContact O-N 2.98Å; V192-A195 HydrophobicContact CG1-CB 3.75Å; V192-Q214 HydrophobicContact CG1-CG 3.78Å; V192-Q214 HydrophobicContact CG2-CG 4.02Å; V192-D216 WeakPolarHBondContact CA-OD1 3.48Å | ||
| 193 | I | 95.8 | Very high | 74.1 | Confident | 82 Ų | 82 | 69.8 Ų | 69.8 | 42% | 0.421 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -75.1 | -44.2 | 179.7 | -61.7 | 177.2 | 0 | 0 | 0 | 109.9 | A191 L215 E217 A283 A287 | A191-I193 PolarHBondContact O-N 3.05Å; A191-I193 VanDerWaalsContact O-N 3.1Å; I193-L215 HydrophobicContact CB-CD2 4.25Å; I193-L215 HydrophobicContact CB-CG 4.25Å; I193-L215 WeakPolarHBondContact CB-O 3.34Å; I193-L215 HydrophobicContact CG2-CD2 4.13Å; I193-L215 PolarHBondContact N-O 3.11Å; I193-E217 HydrophobicContact CD1-CG 4.14Å; I193-A283 HydrophobicContact CG2-CB 4.43Å; I193-A287 HydrophobicContact CD1-CB 3.82Å |
| 194 | K | 96.4 | Very high | 76.1 | Confident | 30 Ų | 30 | 70.6 Ų | 70.6 | 13% | 0.13 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 137.3 | 175.9 | -172.8 | 173.2 | 168.3 | 75.4 | 0 | 109.4 | L215 E276 S279 W280 A283 | K194-L215 PolarHBondContact N-O 3.2Å; K194-L215 PolarHBondContact O-N 2.97Å; K194-E276 IonicContact NZ-OE1 3.28Å; K194-E276 PolarHBondContact NZ-OE1 3.42Å; K194-E276 VanDerWaalsContact NZ-OE1 3.13Å; K194-E276 IonicContact NZ-OE2 3.76Å; K194-E276 PolarHBondContact NZ-OE2 2.85Å; K194-S279 PolarHBondContact NZ-OG 3.44Å; K194-S279 VanDerWaalsContact NZ-OG 3.13Å; K194-W280 HydrophobicContact CB-CE3 4.49Å; K194-W280 HydrophobicContact CB-CH2 4.3Å; K194-W280 HydrophobicContact CB-CZ3 4.08Å; K194-W280 HydrophobicContact CD-CD2 3.73Å; K194-W280 HydrophobicContact CD-CE3 3.83Å; K194-W280 HydrophobicContact CD-CG 4.18Å; K194-W280 HydrophobicContact CD-CH2 4.39Å; K194-W280 HydrophobicContact CD-CZ2 4.3Å; K194-W280 HydrophobicContact CD-CZ3 4.17Å; K194-W280 VanDerWaalsContact CE-CD1 3.48Å; K194-W280 VanDerWaalsContact CE-NE1 3.32Å; K194-W280 HydrophobicContact CG-CD2 4.32Å; K194-W280 HydrophobicContact CG-CE3 4.18Å; K194-W280 HydrophobicContact CG-CH2 3.92Å; K194-W280 HydrophobicContact CG-CZ2 4.05Å; K194-W280 HydrophobicContact CG-CZ3 3.98Å; K194-A283 HydrophobicContact CB-CB 4.17Å; K194-A283 HydrophobicContact CD-CB 4.06Å |
| 195 | A | 96.2 | Very high | 77.9 | Confident | 34 Ų | 34 | 71.2 Ų | 71.2 | 28% | 0.281 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 154.4 | 170 | 0 | 0 | 0 | 0 | 0 | 110.6 | V192 Y212 F213 Q214 | V192-A195 HydrophobicContact CG1-CB 3.75Å; A195-Y212 HydrophobicContact CB-CE1 3.89Å; A195-Y212 HydrophobicContact CB-CE2 4.34Å; A195-Y212 VanDerWaalsContact CB-OH 3.25Å; A195-Y212 WeakPolarHBondContact CB-OH 3.33Å; A195-F213 CarbonylContact C-O 3.59Å; A195-F213 WeakPolarHBondContact CA-O 3.45Å; A195-Q214 HydrophobicContact CB-CG 4.3Å |
| 196 | G | 93.8 | Very high | 80.1 | Confident | 15 Ų | 15 | 68.7 Ų | 68.7 | 16% | 0.155 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 163.2 | 166.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | F213 | G196-F213 PolarHBondContact N-O 3.3Å; G196-F213 PolarHBondContact O-N 2.95Å |
| 197 | Y | 91.9 | Very high | 82.1 | Confident | 67 Ų | 67 | 68 Ų | 68 | 26% | 0.263 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 137.1 | 179.5 | -70.8 | -88.1 | 0 | 0 | 0 | 111.8 | P50 R210 R211 Y212 E226 | P50-Y197 HydrophobicContact CG-CD1 4.14Å; P50-Y197 HydrophobicContact CG-CD2 4.5Å; P50-Y197 HydrophobicContact CG-CE1 4.48Å; P50-Y197 HydrophobicContact CG-CG 4.15Å; Y197-R210 VanDerWaalsContact CB-NE 3.26Å; Y197-R210 HydrophobicContact CD1-CG 3.92Å; Y197-R210 HydrophobicContact CG-CG 4.43Å; Y197-R211 WeakPolarHBondContact CA-O 3.33Å; Y197-Y212 HydrophobicContact CD1-CD2 4.44Å; Y197-Y212 AromaticContact CD2-CD2 3.95Å; Y197-Y212 HydrophobicContact CD2-CD2 3.95Å; Y197-Y212 HydrophobicContact CE1-CD2 4.24Å; Y197-Y212 AromaticContact CE2-CD2 3.71Å; Y197-Y212 HydrophobicContact CE2-CD2 3.71Å; Y197-Y212 HydrophobicContact CE2-CE2 4.32Å; Y197-Y212 HydrophobicContact CG-CD2 4.3Å; Y197-Y212 AromaticContact CZ-CD2 3.86Å; Y197-E226 WeakPolarHBondContact OH-CB 3.34Å; Y197-E226 PolarHBondContact OH-N 3.38Å; Y197-E226 VanDerWaalsContact OH-N 3.15Å |
| 198 | C | 92.6 | Very high | 84.1 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 161.9 | 167.7 | -58.5 | 0 | 0 | 0 | 0 | 110.2 | R210 R211 F213 V269 Q270 W280 | C198-R210 CarbonylContact O-C 3.59Å; C198-R210 WeakPolarHBondContact O-CA 3.41Å; C198-R211 PolarHBondContact N-O 3.42Å; C198-R211 PolarHBondContact O-N 3.17Å; C198-R211 VanDerWaalsContact O-O 3.13Å; C198-F213 HydrophobicContact CB-CD2 3.75Å; C198-F213 HydrophobicContact CB-CE2 3.84Å; C198-V269 HydrophobicContact CB-CG1 3.35Å; C198-Q270 WeakPolarHBondContact CB-O 3.45Å; C198-W280 PolarHBondContact SG-NE1 3.4Å |
| 199 | V | 91.1 | Very high | 86.1 | Confident | 1 Ų | 1 | 60.7 Ų | 60.7 | 1% | 0.006 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 118.5 | 176.3 | -176 | 0 | 0 | 0 | 0 | 109.2 | L49 W208 R210 V269 Q270 | L49-V199 HydrophobicContact CD2-CG2 4.41Å; V199-W208 HydrophobicContact CG1-CB 3.71Å; V199-W208 HydrophobicContact CG1-CE3 4.2Å; V199-R210 HydrophobicContact CG2-CB 4.34Å; V199-R210 HydrophobicContact CG2-CG 4.5Å; V199-V269 CarbonylContact O-C 3.57Å; V199-V269 WeakPolarHBondContact O-CA 3.41Å; V199-Q270 HydrophobicContact CB-CB 4.31Å; V199-Q270 PolarHBondContact N-O 3.32Å; V199-Q270 PolarHBondContact O-N 2.98Å |
| 200 | K | 92.4 | Very high | 87.7 | Confident | 12 Ų | 12 | 54.7 Ų | 54.7 | 5% | 0.052 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 148.3 | -177.2 | 63.4 | 162 | -58.3 | -58.6 | 0 | 113.4 | W208 K209 R211 F213 Y222 Y268 V269 | K200-W208 CarbonylContact O-C 3.55Å; K200-W208 WeakPolarHBondContact O-CA 3.32Å; K200-K209 PolarHBondContact N-O 3.12Å; K200-K209 PolarHBondContact O-N 3.04Å; K200-R211 HydrophobicContact CD-CB 4.4Å; K200-R211 HydrophobicContact CD-CG 3.97Å; K200-R211 HydrophobicContact CG-CB 4.38Å; K200-R211 HydrophobicContact CG-CG 3.95Å; K200-F213 HydrophobicContact CB-CE2 4.18Å; K200-F213 HydrophobicContact CB-CZ 3.86Å; K200-F213 HydrophobicContact CD-CE2 4.29Å; K200-F213 HydrophobicContact CD-CZ 3.81Å; K200-F213 HydrophobicContact CG-CE2 4.24Å; K200-F213 HydrophobicContact CG-CZ 4.08Å; K200-Y222 HydrophobicContact CD-CD1 4.09Å; K200-Y222 HydrophobicContact CD-CD2 3.88Å; K200-Y222 HydrophobicContact CD-CE1 4.01Å; K200-Y222 HydrophobicContact CD-CE2 3.8Å; K200-Y222 HydrophobicContact CD-CG 4.03Å; K200-Y268 WeakPolarHBondContact CA-O 3.43Å; K200-V269 HydrophobicContact CB-CG2 4.24Å |
| 201 | Q | 91.3 | Very high | 89.1 | Confident | 21 Ų | 21 | 54.6 Ų | 54.6 | 10% | 0.098 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 136.3 | 175.7 | -159.4 | -173.9 | 24.3 | 0 | 0 | 112.3 | K206 N207 W208 R265 Y268 | Q201-K206 HydrophobicContact CG-CB 4.33Å; Q201-K206 HydrophobicContact CG-CD 4.45Å; Q201-K206 WeakPolarHBondContact CG-O 3.38Å; Q201-N207 CarbonylContact C-O 3.49Å; Q201-W208 HydrophobicContact CB-CD2 4.14Å; Q201-W208 HydrophobicContact CB-CE3 4.06Å; Q201-W208 HydrophobicContact CB-CH2 4.09Å; Q201-W208 HydrophobicContact CB-CZ2 4.18Å; Q201-W208 HydrophobicContact CB-CZ3 4.03Å; Q201-W208 HydrophobicContact CG-CD2 4.31Å; Q201-W208 HydrophobicContact CG-CZ2 4.18Å; Q201-R265 PolarHBondContact O-NH2 3.3Å; Q201-R265 VanDerWaalsContact O-NH2 3.12Å; Q201-Y268 PolarHBondContact N-O 2.85Å |
| 202 | G | 87.3 | Confident | 89.5 | Confident | 11 Ų | 11 | 52.9 Ų | 52.9 | 11% | 0.113 | 28% | 0.275 | C | S | . | . | trans | -62.3 | 156 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | M205 N207 R265 | G202-M205 WeakPolarHBondContact CA-O 3.47Å; G202-N207 WeakPolarHBondContact CA-O 3.39Å; G202-N207 PolarHBondContact N-O 2.78Å; G202-R265 VanDerWaalsContact C-NH2 3.34Å; G202-R265 PolarHBondContact O-NH2 2.92Å | ||
| 203 | A | 84.4 | Confident | 89.6 | Confident | 47 Ų | 47 | 49.7 Ų | 49.7 | 39% | 0.388 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -71.8 | -59.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | K206 R265 | A203-K206 PolarHBondContact O-NZ 3.44Å; A203-R265 VanDerWaalsContact CA-CZ 3.43Å; A203-R265 VanDerWaalsContact CA-NH2 3.3Å |
| 204 | V | 82.5 | Confident | 89.7 | Confident | 135 Ų | 135 | 48.3 Ų | 48.3 | 82% | 0.818 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -90.4 | -75.9 | -174.6 | -177.7 | 0 | 0 | 0 | 0 | 108.4 | K206 | V204-K206 PolarHBondContact O-N 3.12Š|
| 205 | M | 77.5 | Confident | 89.7 | Confident | 138 Ų | 138 | 46.9 Ų | 46.9 | 68% | 0.68 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -72.4 | 113 | 169.9 | -145.5 | 67.5 | 176.9 | 0 | 0 | 107.7 | G202 N207 | G202-M205 WeakPolarHBondContact CA-O 3.47Å; M205-N207 VanDerWaalsContact CG-ND2 3.31Å; M205-N207 WeakPolarHBondContact CG-ND2 3.24Å; M205-N207 PolarHBondContact O-N 3.48Å |
| 206 | K | 83.3 | Confident | 89.7 | Confident | 118 Ų | 118 | 45.9 Ų | 45.9 | 51% | 0.513 | 23% | 0.232 | S | C | . | . | trans | -67.2 | 27.3 | -175.6 | -63 | -54.3 | -175.4 | -170 | 0 | 114.5 | Q201 A203 V204 | Q201-K206 HydrophobicContact CG-CB 4.33Å; Q201-K206 HydrophobicContact CG-CD 4.45Å; Q201-K206 WeakPolarHBondContact CG-O 3.38Å; A203-K206 PolarHBondContact O-NZ 3.44Å; V204-K206 PolarHBondContact O-N 3.12Å | ||
| 207 | N | 82.1 | Confident | 89.7 | Confident | 89 Ų | 89 | 50.5 Ų | 50.5 | 48% | 0.476 | 25% | 0.249 | S | C | . | . | trans | -68.9 | 143.5 | 176.2 | -64.3 | -18.6 | 0 | 0 | 0 | 110.6 | Q201 G202 M205 | Q201-N207 CarbonylContact C-O 3.49Å; G202-N207 WeakPolarHBondContact CA-O 3.39Å; G202-N207 PolarHBondContact N-O 2.78Å; M205-N207 VanDerWaalsContact CG-ND2 3.31Å; M205-N207 WeakPolarHBondContact CG-ND2 3.24Å; M205-N207 PolarHBondContact O-N 3.48Å | ||
| 208 | W | 86.4 | Confident | 89.8 | Confident | 31 Ų | 31 | 51.5 Ų | 51.5 | 12% | 0.117 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 135.4 | 178.5 | -66.6 | 85.9 | 0 | 0 | 0 | 109.7 | D44 V199 K200 Q201 M252 R254 L257 Q270 | D44-W208 WeakPolarHBondContact OD2-CB 3.38Å; V199-W208 HydrophobicContact CG1-CB 3.71Å; V199-W208 HydrophobicContact CG1-CE3 4.2Å; K200-W208 CarbonylContact O-C 3.55Å; K200-W208 WeakPolarHBondContact O-CA 3.32Å; Q201-W208 HydrophobicContact CB-CD2 4.14Å; Q201-W208 HydrophobicContact CB-CE3 4.06Å; Q201-W208 HydrophobicContact CB-CH2 4.09Å; Q201-W208 HydrophobicContact CB-CZ2 4.18Å; Q201-W208 HydrophobicContact CB-CZ3 4.03Å; Q201-W208 HydrophobicContact CG-CD2 4.31Å; Q201-W208 HydrophobicContact CG-CZ2 4.18Å; W208-M252 HydrophobicContact CH2-CE 3.98Å; W208-M252 HydrophobicContact CH2-SD 4.45Å; W208-M252 HydrophobicContact CZ2-CE 3.51Å; W208-M252 HydrophobicContact CZ2-SD 4.31Å; W208-R254 VanDerWaalsContact CB-NH2 3.3Å; W208-R254 HydrophobicContact CH2-CG 4.47Å; W208-R254 HydrophobicContact CZ2-CG 4.11Å; W208-L257 HydrophobicContact CH2-CD1 3.43Å; W208-L257 VanDerWaalsContact CH2-CD1 3.43Å; W208-L257 HydrophobicContact CH2-CD2 4.25Å; W208-L257 HydrophobicContact CZ3-CD1 3.6Å; W208-Q270 HydrophobicContact CZ3-CB 4.35Å |
| 209 | K | 86.3 | Confident | 90 | Very high | 100 Ų | 100 | 53.4 Ų | 53.4 | 44% | 0.435 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 129.6 | -176.6 | -65.6 | -170.6 | 177.4 | -174.3 | 0 | 110.4 | K200 | K200-K209 PolarHBondContact N-O 3.12Å; K200-K209 PolarHBondContact O-N 3.04Å |
| 210 | R | 87.6 | Confident | 90.2 | Very high | 32 Ų | 32 | 53.4 Ų | 53.4 | 12% | 0.121 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 131.5 | 169.6 | -164.6 | 115.7 | 166.3 | 178.6 | 2 | 109.7 | N48 P50 Y197 C198 V199 D272 | N48-R210 WeakPolarHBondContact O-CB 3.4Å; P50-R210 HydrophobicContact CG-CG 3.96Å; Y197-R210 VanDerWaalsContact CB-NE 3.26Å; Y197-R210 HydrophobicContact CD1-CG 3.92Å; Y197-R210 HydrophobicContact CG-CG 4.43Å; C198-R210 CarbonylContact O-C 3.59Å; C198-R210 WeakPolarHBondContact O-CA 3.41Å; V199-R210 HydrophobicContact CG2-CB 4.34Å; V199-R210 HydrophobicContact CG2-CG 4.5Å; R210-D272 IonicContact CZ-OD1 3.29Å; R210-D272 IonicContact CZ-OD2 3.55Å; R210-D272 VanDerWaalsContact CZ-OD2 3.28Å; R210-D272 VanDerWaalsContact NH1-CG 3.34Å; R210-D272 IonicContact NH1-OD1 3.75Å; R210-D272 PolarHBondContact NH1-OD1 3.41Å; R210-D272 IonicContact NH1-OD2 2.76Å; R210-D272 PolarHBondContact NH1-OD2 2.92Å; R210-D272 IonicContact NH2-OD1 2.87Å; R210-D272 IonicContact NH2-OD2 3.25Å; R210-D272 PolarHBondContact NH2-OD2 3.42Å |
| 211 | R | 92.9 | Very high | 90.4 | Very high | 52 Ų | 52 | 53 Ų | 53 | 20% | 0.196 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 146.7 | 178.1 | -66.2 | -63.5 | -179.6 | -120.9 | 16.7 | 109.1 | Y197 C198 K200 F213 Y222 F223 | Y197-R211 WeakPolarHBondContact CA-O 3.33Å; C198-R211 PolarHBondContact N-O 3.42Å; C198-R211 PolarHBondContact O-N 3.17Å; C198-R211 VanDerWaalsContact O-O 3.13Å; K200-R211 HydrophobicContact CD-CB 4.4Å; K200-R211 HydrophobicContact CD-CG 3.97Å; K200-R211 HydrophobicContact CG-CB 4.38Å; K200-R211 HydrophobicContact CG-CG 3.95Å; R211-F213 HydrophobicContact CB-CD2 4.33Å; R211-F213 HydrophobicContact CB-CE2 3.98Å; R211-F213 WeakPolarHBondContact O-CD2 3.29Å; R211-F213 PolarHBondContact O-N 2.91Å; R211-Y222 HydrophobicContact CB-CD2 4.2Å; R211-Y222 HydrophobicContact CB-CG 4.49Å; R211-Y222 HydrophobicContact CG-CD2 4.02Å; R211-F223 WeakPolarHBondContact CA-O 3.4Å; R211-F223 WeakPolarHBondContact CB-O 3.28Å; R211-F223 WeakPolarHBondContact CD-O 3.41Å |
| 212 | Y | 93.3 | Very high | 90.6 | Very high | 26 Ų | 26 | 53 Ų | 53 | 10% | 0.102 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 115.5 | 171.8 | -175 | -101.1 | 0 | 0 | 0 | 107.5 | A195 Y197 Y222 F223 E226 | A195-Y212 HydrophobicContact CB-CE1 3.89Å; A195-Y212 HydrophobicContact CB-CE2 4.34Å; A195-Y212 VanDerWaalsContact CB-OH 3.25Å; A195-Y212 WeakPolarHBondContact CB-OH 3.33Å; Y197-Y212 HydrophobicContact CD1-CD2 4.44Å; Y197-Y212 AromaticContact CD2-CD2 3.95Å; Y197-Y212 HydrophobicContact CD2-CD2 3.95Å; Y197-Y212 HydrophobicContact CE1-CD2 4.24Å; Y197-Y212 AromaticContact CE2-CD2 3.71Å; Y197-Y212 HydrophobicContact CE2-CD2 3.71Å; Y197-Y212 HydrophobicContact CE2-CE2 4.32Å; Y197-Y212 HydrophobicContact CG-CD2 4.3Å; Y197-Y212 AromaticContact CZ-CD2 3.86Å; Y212-Y222 CarbonylContact O-C 3.56Å; Y212-Y222 WeakPolarHBondContact O-CA 3.41Å; Y212-F223 HydrophobicContact CD1-CD2 4.18Å; Y212-F223 PolarHBondContact N-O 3Å; Y212-F223 VanDerWaalsContact N-O 3.07Å; Y212-F223 PolarHBondContact O-N 2.99Å; Y212-E226 HydrophobicContact CD1-CB 4.3Å; Y212-E226 HydrophobicContact CD2-CB 3.77Å; Y212-E226 HydrophobicContact CD2-CG 4.3Å; Y212-E226 HydrophobicContact CE1-CB 4.31Å; Y212-E226 HydrophobicContact CE1-CG 4.14Å; Y212-E226 HydrophobicContact CE2-CB 3.75Å; Y212-E226 HydrophobicContact CE2-CG 3.75Å; Y212-E226 WeakPolarHBondContact CE2-OE1 3.47Å; Y212-E226 HydrophobicContact CG-CB 4.01Å; Y212-E226 PolarHBondContact OH-OE1 3.25Å |
| 213 | F | 96.7 | Very high | 91 | Very high | 3 Ų | 3 | 53.3 Ų | 53.3 | 1% | 0.013 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 142.7 | 175.3 | -78.9 | -102.2 | 0 | 0 | 0 | 109.2 | A195 G196 C198 K200 R211 I220 G221 Y222 V269 W280 | A195-F213 CarbonylContact C-O 3.59Å; A195-F213 WeakPolarHBondContact CA-O 3.45Å; G196-F213 PolarHBondContact N-O 3.3Å; G196-F213 PolarHBondContact O-N 2.95Å; C198-F213 HydrophobicContact CB-CD2 3.75Å; C198-F213 HydrophobicContact CB-CE2 3.84Å; K200-F213 HydrophobicContact CB-CE2 4.18Å; K200-F213 HydrophobicContact CB-CZ 3.86Å; K200-F213 HydrophobicContact CD-CE2 4.29Å; K200-F213 HydrophobicContact CD-CZ 3.81Å; K200-F213 HydrophobicContact CG-CE2 4.24Å; K200-F213 HydrophobicContact CG-CZ 4.08Å; R211-F213 HydrophobicContact CB-CD2 4.33Å; R211-F213 HydrophobicContact CB-CE2 3.98Å; R211-F213 WeakPolarHBondContact O-CD2 3.29Å; R211-F213 PolarHBondContact O-N 2.91Å; F213-I220 HydrophobicContact CD1-CD1 4.19Å; F213-I220 HydrophobicContact CD1-CG1 4.26Å; F213-G221 WeakPolarHBondContact CA-O 3.5Å; F213-Y222 AromaticContact CE1-CD1 3.95Å; F213-Y222 HydrophobicContact CE1-CD1 3.95Å; F213-Y222 HydrophobicContact CE1-CG 4.25Å; F213-Y222 HydrophobicContact CZ-CD1 4.23Å; F213-Y222 HydrophobicContact CZ-CG 4.29Å; F213-V269 HydrophobicContact CE1-CG2 4.22Å; F213-V269 HydrophobicContact CE2-CG1 4.09Å; F213-V269 HydrophobicContact CZ-CG1 4Å; F213-V269 HydrophobicContact CZ-CG2 3.91Å; F213-W280 HydrophobicContact CB-CH2 3.61Å; F213-W280 HydrophobicContact CB-CZ2 3.95Å; F213-W280 HydrophobicContact CB-CZ3 4.21Å |
| 214 | Q | 97.3 | Very high | 91.2 | Very high | 52 Ų | 52 | 57 Ų | 57 | 24% | 0.243 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 124.7 | 174.5 | -168.1 | 175 | 40 | 0 | 0 | 107.6 | V192 A195 I220 G221 F223 | V192-Q214 HydrophobicContact CG1-CG 3.78Å; V192-Q214 HydrophobicContact CG2-CG 4.02Å; A195-Q214 HydrophobicContact CB-CG 4.3Å; Q214-I220 CarbonylContact O-C 3.55Å; Q214-I220 WeakPolarHBondContact O-CA 3.39Å; Q214-G221 PolarHBondContact N-O 2.81Å; Q214-G221 PolarHBondContact O-N 3.08Å; Q214-F223 HydrophobicContact CB-CD2 4.48Å; Q214-F223 HydrophobicContact CB-CE2 3.82Å |
| 215 | L | 97.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 125.8 | 174.9 | 171.9 | 71.6 | 0 | 0 | 0 | 108.2 | I193 K194 I220 L237 W280 A283 V284 A287 | I193-L215 HydrophobicContact CB-CD2 4.25Å; I193-L215 HydrophobicContact CB-CG 4.25Å; I193-L215 WeakPolarHBondContact CB-O 3.34Å; I193-L215 HydrophobicContact CG2-CD2 4.13Å; I193-L215 PolarHBondContact N-O 3.11Å; K194-L215 PolarHBondContact N-O 3.2Å; K194-L215 PolarHBondContact O-N 2.97Å; L215-I220 HydrophobicContact CD1-CB 3.97Å; L215-L237 HydrophobicContact CD1-CD1 4.01Å; L215-L237 HydrophobicContact CD1-CD2 3.89Å; L215-L237 HydrophobicContact CD1-CG 4.45Å; L215-W280 HydrophobicContact CB-CZ3 3.98Å; L215-A283 VanDerWaalsContact CD2-C 3.4Å; L215-A283 HydrophobicContact CD2-CB 3.63Å; L215-V284 HydrophobicContact CD1-CG2 4.21Å; L215-V284 HydrophobicContact CD2-CB 4.47Å; L215-V284 HydrophobicContact CD2-CG2 3.93Å; L215-A287 HydrophobicContact CD1-CB 4.29Å; L215-A287 HydrophobicContact CD2-CB 4.43Å |
| 216 | D | 95.4 | Very high | 92 | Very high | 14 Ų | 14 | 51 Ų | 51 | 8% | 0.075 | 24% | 0.24 | C | C | . | . | trans | -116.7 | 179.4 | 173.2 | -62 | -9.5 | 0 | 0 | 0 | 109.6 | S190 V192 N218 T219 | S190-D216 PolarHBondContact OG-OD2 3.46Å; V192-D216 WeakPolarHBondContact CA-OD1 3.48Å; D216-N218 PolarHBondContact O-N 2.87Å; D216-N218 VanDerWaalsContact O-N 3.15Å; D216-T219 PolarHBondContact N-O 2.88Å | ||
| 217 | E | 93.6 | Very high | 92.1 | Very high | 111 Ų | 111 | 53 Ų | 53 | 52% | 0.519 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -57.9 | -29.6 | 178.4 | -61.9 | -177.7 | -177 | 0 | 0 | 113.4 | I193 Q291 | I193-E217 HydrophobicContact CD1-CG 4.14Å; E217-Q291 PolarHBondContact O-NE2 2.85Å |
| 218 | N | 94.1 | Very high | 92.4 | Very high | 88 Ų | 88 | 52.7 Ų | 52.7 | 47% | 0.471 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -108.8 | -29.5 | -172.6 | -66.2 | 101.3 | 0 | 0 | 0 | 115.3 | D216 L237 Q291 | D216-N218 PolarHBondContact O-N 2.87Å; D216-N218 VanDerWaalsContact O-N 3.15Å; N218-L237 WeakPolarHBondContact O-CG 3.33Å; N218-L237 PolarHBondContact O-N 2.88Å; N218-Q291 PolarHBondContact O-NE2 3Å |
| 219 | T | 96.1 | Very high | 92.4 | Very high | 40 Ų | 40 | 60.8 Ų | 60.8 | 25% | 0.245 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 155.6 | -168 | 76.4 | 0 | 0 | 0 | 0 | 111.8 | D216 V234 I235 | D216-T219 PolarHBondContact N-O 2.88Å; T219-V234 VanDerWaalsContact CB-CG1 3.49Å; T219-V234 HydrophobicContact CG2-CG1 3.69Å; T219-I235 CarbonylContact C-O 3.57Å; T219-I235 WeakPolarHBondContact CA-O 3.39Å |
| 220 | I | 97 | Very high | 92.7 | Very high | 1 Ų | 1 | 63.7 Ų | 63.7 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 114.4 | 163 | -176.1 | 165.8 | 0 | 0 | 0 | 109 | F213 Q214 L215 I235 L237 I260 W280 V284 | F213-I220 HydrophobicContact CD1-CD1 4.19Å; F213-I220 HydrophobicContact CD1-CG1 4.26Å; Q214-I220 CarbonylContact O-C 3.55Å; Q214-I220 WeakPolarHBondContact O-CA 3.39Å; L215-I220 HydrophobicContact CD1-CB 3.97Å; I220-I235 HydrophobicContact CG2-CB 3.8Å; I220-I235 HydrophobicContact CG2-CD1 4.36Å; I220-I235 HydrophobicContact CG2-CG2 4.23Å; I220-I235 PolarHBondContact N-O 2.77Å; I220-I235 WeakPolarHBondContact O-CB 3.28Å; I220-I235 PolarHBondContact O-N 3Å; I220-L237 HydrophobicContact CB-CD2 4.2Å; I220-L237 HydrophobicContact CG2-CD2 3.99Å; I220-I260 HydrophobicContact CD1-CD1 3.91Å; I220-W280 HydrophobicContact CD1-CZ3 4.48Å; I220-V284 HydrophobicContact CD1-CG2 3.81Å |
| 221 | G | 96.1 | Very high | 92.9 | Very high | 5 Ų | 5 | 64.6 Ų | 64.6 | 5% | 0.052 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 159.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | F213 Q214 R233 | F213-G221 WeakPolarHBondContact CA-O 3.5Å; Q214-G221 PolarHBondContact N-O 2.81Å; Q214-G221 PolarHBondContact O-N 3.08Å; G221-R233 VanDerWaalsContact CA-O 3.27Å; G221-R233 WeakPolarHBondContact CA-O 3.39Å |
| 222 | Y | 95.7 | Very high | 92.9 | Very high | 20 Ų | 20 | 66.6 Ų | 66.6 | 8% | 0.078 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 144.1 | 163.9 | 63.9 | -97.2 | 0 | 0 | 0 | 112.8 | K200 R211 Y212 F213 L232 R233 F267 | K200-Y222 HydrophobicContact CD-CD1 4.09Å; K200-Y222 HydrophobicContact CD-CD2 3.88Å; K200-Y222 HydrophobicContact CD-CE1 4.01Å; K200-Y222 HydrophobicContact CD-CE2 3.8Å; K200-Y222 HydrophobicContact CD-CG 4.03Å; R211-Y222 HydrophobicContact CB-CD2 4.2Å; R211-Y222 HydrophobicContact CB-CG 4.49Å; R211-Y222 HydrophobicContact CG-CD2 4.02Å; Y212-Y222 CarbonylContact O-C 3.56Å; Y212-Y222 WeakPolarHBondContact O-CA 3.41Å; F213-Y222 AromaticContact CE1-CD1 3.95Å; F213-Y222 HydrophobicContact CE1-CD1 3.95Å; F213-Y222 HydrophobicContact CE1-CG 4.25Å; F213-Y222 HydrophobicContact CZ-CD1 4.23Å; F213-Y222 HydrophobicContact CZ-CG 4.29Å; Y222-L232 HydrophobicContact CD2-CB 3.92Å; Y222-L232 HydrophobicContact CD2-CD1 4.16Å; Y222-L232 HydrophobicContact CE2-CB 3.7Å; Y222-L232 HydrophobicContact CE2-CD1 4.2Å; Y222-L232 WeakPolarHBondContact O-CB 3.23Å; Y222-L232 PolarHBondContact O-N 2.8Å; Y222-R233 HydrophobicContact CD1-CB 4.33Å; Y222-R233 HydrophobicContact CE1-CB 3.59Å; Y222-R233 HydrophobicContact CE1-CG 4.27Å; Y222-R233 HydrophobicContact CE2-CB 4.2Å; Y222-R233 PolarHBondContact N-O 2.82Å; Y222-R233 PolarHBondContact O-N 2.95Å; Y222-R233 WeakPolarHBondContact OH-CB 3.37Å; Y222-F267 HydrophobicContact CE1-CE1 4.27Å |
| 223 | F | 94.3 | Very high | 93 | Very high | 18 Ų | 18 | 70.1 Ų | 70.1 | 8% | 0.079 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 159.5 | -172.5 | -56.7 | -103.8 | 0 | 0 | 0 | 109.9 | R211 Y212 Q214 S225 E228 E230 P231 | R211-F223 WeakPolarHBondContact CA-O 3.4Å; R211-F223 WeakPolarHBondContact CB-O 3.28Å; R211-F223 WeakPolarHBondContact CD-O 3.41Å; Y212-F223 HydrophobicContact CD1-CD2 4.18Å; Y212-F223 PolarHBondContact N-O 3Å; Y212-F223 VanDerWaalsContact N-O 3.07Å; Y212-F223 PolarHBondContact O-N 2.99Å; Q214-F223 HydrophobicContact CB-CD2 4.48Å; Q214-F223 HydrophobicContact CB-CE2 3.82Å; F223-S225 VanDerWaalsContact C-N 3.28Å; F223-S225 WeakPolarHBondContact CB-O 3.48Å; F223-S225 PolarHBondContact O-N 2.88Å; F223-E228 HydrophobicContact CB-CB 4.48Å; F223-E228 WeakPolarHBondContact CD1-O 2.93Å; F223-E230 VanDerWaalsContact CD1-C 3.48Å; F223-E230 WeakPolarHBondContact CD1-O 3.25Å; F223-P231 VanDerWaalsContact CD1-CA 3.45Å; F223-P231 HydrophobicContact CD1-CB 4.08Å; F223-P231 VanDerWaalsContact CE1-CA 3.44Å; F223-P231 HydrophobicContact CE1-CB 3.64Å; F223-P231 HydrophobicContact CE1-CG 4.15Å; F223-P231 HydrophobicContact CE2-CB 4.21Å; F223-P231 HydrophobicContact CZ-CB 3.71Å; F223-P231 HydrophobicContact CZ-CG 4.3Å |
| 224 | K | 89.1 | Confident | 92.9 | Very high | 125 Ų | 125 | 73.3 Ų | 73.3 | 54% | 0.543 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -63.1 | -39.4 | 174.3 | -176.8 | -177.3 | 171 | -163.9 | 0 | 110.8 | E228 L232 | K224-E228 HydrophobicContact CB-CG 4.16Å; K224-L232 HydrophobicContact CB-CD1 4.19Å |
| 225 | S | 88.4 | Confident | 92.9 | Very high | 35 Ų | 35 | 71.1 Ų | 71.1 | 25% | 0.245 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -153.3 | 168.7 | 171.8 | 53.1 | 0 | 0 | 0 | 0 | 110.4 | F223 L227 E228 | F223-S225 VanDerWaalsContact C-N 3.28Å; F223-S225 WeakPolarHBondContact CB-O 3.48Å; F223-S225 PolarHBondContact O-N 2.88Å; S225-L227 PolarHBondContact O-N 3.34Å; S225-E228 WeakPolarHBondContact O-CB 3.2Å; S225-E228 PolarHBondContact O-N 2.82Å; S225-E228 VanDerWaalsContact OG-CG 3.3Å; S225-E228 WeakPolarHBondContact OG-CG 3.15Å |
| 226 | E | 88.4 | Confident | 92.8 | Very high | 111 Ų | 111 | 73.1 Ų | 73.1 | 52% | 0.519 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -27 | 176.7 | -178.4 | 167.1 | -134.5 | 0 | 0 | 114.3 | Y197 Y212 E228 | Y197-E226 WeakPolarHBondContact OH-CB 3.34Å; Y197-E226 PolarHBondContact OH-N 3.38Å; Y197-E226 VanDerWaalsContact OH-N 3.15Å; Y212-E226 HydrophobicContact CD1-CB 4.3Å; Y212-E226 HydrophobicContact CD2-CB 3.77Å; Y212-E226 HydrophobicContact CD2-CG 4.3Å; Y212-E226 HydrophobicContact CE1-CB 4.31Å; Y212-E226 HydrophobicContact CE1-CG 4.14Å; Y212-E226 HydrophobicContact CE2-CB 3.75Å; Y212-E226 HydrophobicContact CE2-CG 3.75Å; Y212-E226 WeakPolarHBondContact CE2-OE1 3.47Å; Y212-E226 HydrophobicContact CG-CB 4.01Å; Y212-E226 PolarHBondContact OH-OE1 3.25Å; E226-E228 VanDerWaalsContact C-N 3.29Å; E226-E228 PolarHBondContact O-N 2.84Å |
| 227 | L | 86.4 | Confident | 92.8 | Very high | 161 Ų | 161 | 72.5 Ų | 72.5 | 84% | 0.843 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -10.7 | -179.5 | -57.5 | 177.3 | 0 | 0 | 0 | 113.9 | S225 | S225-L227 PolarHBondContact O-N 3.34Š|
| 228 | E | 88.3 | Confident | 92.7 | Very high | 82 Ų | 82 | 75.3 Ų | 75.3 | 38% | 0.383 | 37% | 0.369 | S | S | . | . | trans | -84.8 | 130.5 | -174.5 | -64.7 | -89.1 | -156.2 | 0 | 0 | 109.5 | F223 K224 S225 E226 | F223-E228 HydrophobicContact CB-CB 4.48Å; F223-E228 WeakPolarHBondContact CD1-O 2.93Å; K224-E228 HydrophobicContact CB-CG 4.16Å; S225-E228 WeakPolarHBondContact O-CB 3.2Å; S225-E228 PolarHBondContact O-N 2.82Å; S225-E228 VanDerWaalsContact OG-CG 3.3Å; S225-E228 WeakPolarHBondContact OG-CG 3.15Å; E226-E228 VanDerWaalsContact C-N 3.29Å; E226-E228 PolarHBondContact O-N 2.84Å | ||
| 229 | K | 86.9 | Confident | 92.7 | Very high | 200 Ų | 200 | 75 Ų | 75 | 87% | 0.87 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -78.5 | -29 | -179 | -65 | -173.3 | 179 | -177.1 | 0 | 112.9 | ||
| 230 | E | 90.8 | Very high | 92.7 | Very high | 161 Ų | 161 | 73.1 Ų | 73.1 | 75% | 0.752 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -99.8 | 125.4 | -176.1 | -67.5 | -167.8 | 166.9 | 0 | 0 | 111.8 | F223 | F223-E230 VanDerWaalsContact CD1-C 3.48Å; F223-E230 WeakPolarHBondContact CD1-O 3.25Å |
| 231 | P | 93.7 | Very high | 92.6 | Very high | 52 Ų | 52 | 78.7 Ų | 78.7 | 34% | 0.338 | 38% | 0.379 | S | S | . | . | trans | -69 | 135.9 | 174.1 | 26.7 | -31.3 | 0 | 0 | 0 | 109.9 | F223 R233 V234 | F223-P231 VanDerWaalsContact CD1-CA 3.45Å; F223-P231 HydrophobicContact CD1-CB 4.08Å; F223-P231 VanDerWaalsContact CE1-CA 3.44Å; F223-P231 HydrophobicContact CE1-CB 3.64Å; F223-P231 HydrophobicContact CE1-CG 4.15Å; F223-P231 HydrophobicContact CE2-CB 4.21Å; F223-P231 HydrophobicContact CZ-CB 3.71Å; F223-P231 HydrophobicContact CZ-CG 4.3Å; P231-R233 PolarHBondContact O-N 3.32Å; P231-V234 HydrophobicContact CB-CG2 3.72Å; P231-V234 HydrophobicContact CG-CG2 3.29Å | ||
| 232 | L | 93 | Very high | 92.5 | Very high | 93 Ų | 93 | 83 Ų | 83 | 49% | 0.487 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -63.9 | -30.1 | 170.7 | -67.3 | 172.8 | 0 | 0 | 0 | 111.4 | Y222 K224 | Y222-L232 HydrophobicContact CD2-CB 3.92Å; Y222-L232 HydrophobicContact CD2-CD1 4.16Å; Y222-L232 HydrophobicContact CE2-CB 3.7Å; Y222-L232 HydrophobicContact CE2-CD1 4.2Å; Y222-L232 WeakPolarHBondContact O-CB 3.23Å; Y222-L232 PolarHBondContact O-N 2.8Å; K224-L232 HydrophobicContact CB-CD1 4.19Å |
| 233 | R | 94.5 | Very high | 92.6 | Very high | 101 Ų | 101 | 82.8 Ų | 82.8 | 38% | 0.381 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158 | 141.2 | 171.3 | -175.2 | 172.1 | -68.5 | -149.7 | -9.8 | 109.3 | G221 Y222 P231 I235 | G221-R233 VanDerWaalsContact CA-O 3.27Å; G221-R233 WeakPolarHBondContact CA-O 3.39Å; Y222-R233 HydrophobicContact CD1-CB 4.33Å; Y222-R233 HydrophobicContact CE1-CB 3.59Å; Y222-R233 HydrophobicContact CE1-CG 4.27Å; Y222-R233 HydrophobicContact CE2-CB 4.2Å; Y222-R233 PolarHBondContact N-O 2.82Å; Y222-R233 PolarHBondContact O-N 2.95Å; Y222-R233 WeakPolarHBondContact OH-CB 3.37Å; P231-R233 PolarHBondContact O-N 3.32Å; R233-I235 HydrophobicContact CG-CG1 4.19Å |
| 234 | V | 95.6 | Very high | 92.7 | Very high | 69 Ų | 69 | 83.8 Ų | 83.8 | 42% | 0.418 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 133.3 | 166.7 | -177 | 0 | 0 | 0 | 0 | 107.7 | T219 P231 | T219-V234 VanDerWaalsContact CB-CG1 3.49Å; T219-V234 HydrophobicContact CG2-CG1 3.69Å; P231-V234 HydrophobicContact CB-CG2 3.72Å; P231-V234 HydrophobicContact CG-CG2 3.29Å |
| 235 | I | 95.9 | Very high | 93.1 | Very high | 6 Ų | 6 | 83 Ų | 83 | 3% | 0.031 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 108.9 | 176.5 | -56.4 | 166.6 | 0 | 0 | 0 | 107 | T219 I220 R233 L237 V240 T262 F267 | T219-I235 CarbonylContact C-O 3.57Å; T219-I235 WeakPolarHBondContact CA-O 3.39Å; I220-I235 HydrophobicContact CG2-CB 3.8Å; I220-I235 HydrophobicContact CG2-CD1 4.36Å; I220-I235 HydrophobicContact CG2-CG2 4.23Å; I220-I235 PolarHBondContact N-O 2.77Å; I220-I235 WeakPolarHBondContact O-CB 3.28Å; I220-I235 PolarHBondContact O-N 3Å; R233-I235 HydrophobicContact CG-CG1 4.19Å; I235-L237 PolarHBondContact O-N 3.27Å; I235-V240 HydrophobicContact CG2-CG2 3.96Å; I235-T262 HydrophobicContact CG2-CG2 3.66Å; I235-F267 HydrophobicContact CD1-CD1 4.23Å; I235-F267 HydrophobicContact CD1-CD2 3.85Å; I235-F267 HydrophobicContact CD1-CE1 3.93Å; I235-F267 HydrophobicContact CD1-CE2 3.53Å; I235-F267 HydrophobicContact CD1-CG 4.19Å; I235-F267 HydrophobicContact CD1-CZ 3.56Å; I235-F267 HydrophobicContact CG1-CE2 4.23Å; I235-F267 HydrophobicContact CG1-CZ 4.11Å |
| 236 | P | 95.2 | Very high | 93.3 | Very high | 42 Ų | 42 | 81.5 Ų | 81.5 | 27% | 0.273 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.5 | 131.6 | 174 | -21.7 | 33.4 | 0 | 0 | 0 | 110.5 | K238 E239 | P236-K238 PolarHBondContact O-N 2.74Å; P236-K238 VanDerWaalsContact O-N 3.12Å; P236-E239 HydrophobicContact CB-CG 4.26Å; P236-E239 HydrophobicContact CG-CG 4.44Å; P236-E239 WeakPolarHBondContact O-CB 3.24Å; P236-E239 PolarHBondContact O-N 3.09Å |
| 237 | L | 95.1 | Very high | 93.4 | Very high | 1 Ų | 1 | 84.6 Ų | 84.6 | 1% | 0.005 | 40% | 0.402 | C | S | . | . | G | 310 helix | trans | -64.4 | -21 | -179.7 | -62.9 | 180 | 0 | 0 | 0 | 112.6 | L215 N218 I220 I235 E239 V240 V284 A287 I288 | L215-L237 HydrophobicContact CD1-CD1 4.01Å; L215-L237 HydrophobicContact CD1-CD2 3.89Å; L215-L237 HydrophobicContact CD1-CG 4.45Å; N218-L237 WeakPolarHBondContact O-CG 3.33Å; N218-L237 PolarHBondContact O-N 2.88Å; I220-L237 HydrophobicContact CB-CD2 4.2Å; I220-L237 HydrophobicContact CG2-CD2 3.99Å; I235-L237 PolarHBondContact O-N 3.27Å; L237-E239 PolarHBondContact O-N 3.45Å; L237-V240 HydrophobicContact CD2-CG2 4.27Å; L237-V240 WeakPolarHBondContact O-CB 3.33Å; L237-V240 PolarHBondContact O-N 3.33Å; L237-V240 VanDerWaalsContact O-N 3.08Å; L237-V284 HydrophobicContact CD2-CG1 4.29Å; L237-A287 HydrophobicContact CD1-CB 3.46Å; L237-A287 VanDerWaalsContact CD1-CB 3.46Å; L237-I288 HydrophobicContact CB-CG1 4.07Å; L237-I288 HydrophobicContact CD2-CG1 4.39Å |
| 238 | K | 93 | Very high | 93.5 | Very high | 170 Ų | 170 | 81 Ų | 81 | 74% | 0.739 | 38% | 0.38 | S | S | * | . | G | 310 helix | trans | -61.2 | -28.6 | 171.6 | -62 | -177.3 | -178.4 | 179.1 | 0 | 113 | P236 | P236-K238 PolarHBondContact O-N 2.74Å; P236-K238 VanDerWaalsContact O-N 3.12Å |
| 239 | E | 94.4 | Very high | 93.3 | Very high | 81 Ų | 81 | 77.8 Ų | 77.8 | 38% | 0.379 | 37% | 0.367 | S | S | . | . | G | 310 helix | trans | -86.8 | -9.9 | 177.1 | -62.7 | 177.8 | -167.7 | 0 | 0 | 112.5 | P236 L237 H241 T262 T263 | P236-E239 HydrophobicContact CB-CG 4.26Å; P236-E239 HydrophobicContact CG-CG 4.44Å; P236-E239 WeakPolarHBondContact O-CB 3.24Å; P236-E239 PolarHBondContact O-N 3.09Å; L237-E239 PolarHBondContact O-N 3.45Å; E239-H241 PolarHBondContact O-N 3.01Å; E239-T262 WeakPolarHBondContact O-CA 3.41Å; E239-T262 WeakPolarHBondContact O-CB 3.43Å; E239-T263 PolarHBondContact O-N 3.44Å |
| 240 | V | 96.1 | Very high | 93.1 | Very high | 1 Ų | 1 | 72.4 Ų | 72.4 | 1% | 0.006 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 111 | 179.4 | -177.6 | 0 | 0 | 0 | 0 | 108.8 | I235 L237 I260 T262 I288 | I235-V240 HydrophobicContact CG2-CG2 3.96Å; L237-V240 HydrophobicContact CD2-CG2 4.27Å; L237-V240 WeakPolarHBondContact O-CB 3.33Å; L237-V240 PolarHBondContact O-N 3.33Å; L237-V240 VanDerWaalsContact O-N 3.08Å; V240-I260 HydrophobicContact CB-CG2 4.48Å; V240-I260 HydrophobicContact CG1-CG2 3.7Å; V240-I260 HydrophobicContact CG2-CG2 3.94Å; V240-T262 HydrophobicContact CG2-CG2 4.29Å; V240-I288 HydrophobicContact CB-CD1 3.86Å; V240-I288 HydrophobicContact CG1-CD1 3.57Å |
| 241 | H | 94.5 | Very high | 92.7 | Very high | 118 Ų | 118 | 71.3 Ų | 71.3 | 55% | 0.546 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | -33.4 | 176.2 | -64.5 | -45.7 | 0 | 0 | 0 | 112 | E239 V261 T263 | E239-H241 PolarHBondContact O-N 3.01Å; H241-V261 PolarHBondContact N-O 2.97Å; H241-T263 WeakPolarHBondContact NE2-CA 3.38Å; H241-T263 PolarHBondContact NE2-OG1 3.39Å; H241-T263 VanDerWaalsContact NE2-OG1 3.13Å |
| 242 | K | 93.9 | Very high | 92.3 | Very high | 96 Ų | 96 | 70.8 Ų | 70.8 | 42% | 0.417 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 143.8 | -174 | -157.2 | -179.4 | -167.7 | -169.6 | 0 | 111.5 | Q244 V261 | K242-Q244 HydrophobicContact CD-CG 4.2Å; K242-Q244 HydrophobicContact CG-CG 4.4Å; K242-Q244 VanDerWaalsContact NZ-NE2 3.18Å; K242-V261 HydrophobicContact CB-CB 3.95Å; K242-V261 HydrophobicContact CB-CG2 4.1Å; K242-V261 PolarHBondContact N-O 3.37Å; K242-V261 PolarHBondContact O-N 3.35Å |
| 243 | V | 97.1 | Very high | 92 | Very high | 15 Ų | 15 | 68.8 Ų | 68.8 | 9% | 0.091 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 126.8 | 164.1 | 60.6 | 0 | 0 | 0 | 0 | 108.2 | F258 E259 I260 I281 V284 S285 | V243-F258 HydrophobicContact CG2-CD2 4.2Å; V243-E259 WeakPolarHBondContact CA-O 3.18Å; V243-I260 HydrophobicContact CG2-CG1 4.13Å; V243-I281 HydrophobicContact CG2-CB 4.46Å; V243-I281 HydrophobicContact CG2-CG1 4.23Å; V243-I281 HydrophobicContact CG2-CG2 4.45Å; V243-V284 HydrophobicContact CB-CB 4.48Å; V243-V284 HydrophobicContact CB-CG1 4.06Å; V243-V284 HydrophobicContact CG1-CB 4.08Å; V243-V284 HydrophobicContact CG1-CG1 3.86Å; V243-V284 HydrophobicContact CG2-CB 4.26Å; V243-V284 HydrophobicContact CG2-CG1 4.23Å; V243-S285 WeakPolarHBondContact CG1-OG 3.33Å |
| 244 | Q | 96.8 | Very high | 91.7 | Very high | 40 Ų | 40 | 64.2 Ų | 64.2 | 19% | 0.187 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.8 | 168 | -176 | 62.5 | 169.3 | 15.6 | 0 | 0 | 112 | K242 F258 E259 | K242-Q244 HydrophobicContact CD-CG 4.2Å; K242-Q244 HydrophobicContact CG-CG 4.4Å; K242-Q244 VanDerWaalsContact NZ-NE2 3.18Å; Q244-F258 CarbonylContact O-C 3.59Å; Q244-F258 VanDerWaalsContact O-CA 3.31Å; Q244-F258 WeakPolarHBondContact O-CA 3.49Å; Q244-F258 WeakPolarHBondContact O-CB 3.23Å; Q244-E259 HydrophobicContact CG-CG 3.81Å; Q244-E259 PolarHBondContact N-O 3.26Å; Q244-E259 VanDerWaalsContact N-O 3.12Å; Q244-E259 PolarHBondContact NE2-OE1 3.42Å; Q244-E259 PolarHBondContact O-N 3.35Å |
| 245 | E | 96.7 | Very high | 91.4 | Very high | 109 Ų | 109 | 62.6 Ų | 62.6 | 51% | 0.509 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.5 | 137.1 | 167.4 | -171.1 | 175.1 | -177.3 | 0 | 0 | 110.8 | K247 M277 I281 | E245-K247 PolarHBondContact O-N 3.33Å; E245-M277 HydrophobicContact CG-CE 3.95Å; E245-M277 HydrophobicContact CG-SD 4.1Å; E245-I281 HydrophobicContact CB-CD1 4.42Å |
| 246 | C | 94.2 | Very high | 91.3 | Very high | 2 Ų | 2 | 63.7 Ų | 63.7 | 1% | 0.014 | 31% | 0.306 | C | S | . | . | trans | -78.9 | 116.2 | -176.1 | -178.2 | 0 | 0 | 0 | 0 | 110.5 | Q248 S249 L257 Y268 | C246-Q248 PolarHBondContact O-N 3.26Å; C246-Q248 PolarHBondContact SG-N 3.37Å; C246-Q248 VanDerWaalsContact SG-N 3.4Å; C246-S249 WeakPolarHBondContact O-CB 3.29Å; C246-S249 PolarHBondContact O-N 2.92Å; C246-S249 PolarHBondContact O-OG 3.31Å; C246-L257 HydrophobicContact CB-CB 4.12Å; C246-L257 HydrophobicContact CB-CD2 3.71Å; C246-L257 HydrophobicContact CB-CG 3.67Å; C246-L257 VanDerWaalsContact CB-O 3.3Å; C246-L257 WeakPolarHBondContact CB-O 3.49Å; C246-L257 PolarHBondContact N-O 2.64Å; C246-Y268 VanDerWaalsContact SG-CE1 3.58Å | ||
| 247 | K | 89.6 | Confident | 91.2 | Very high | 177 Ų | 177 | 61.8 Ų | 61.8 | 77% | 0.77 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -17.7 | 175.8 | -62.7 | -173.2 | -177.4 | -172.5 | 0 | 113.6 | E245 S249 | E245-K247 PolarHBondContact O-N 3.33Å; K247-S249 VanDerWaalsContact C-N 3.33Å |
| 248 | Q | 87.5 | Confident | 91.3 | Very high | 84 Ų | 84 | 61.9 Ų | 61.9 | 39% | 0.393 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | 10.5 | 179.2 | -63.9 | 176.8 | -32.3 | 0 | 0 | 112.6 | C246 D250 I251 M252 Y268 | C246-Q248 PolarHBondContact O-N 3.26Å; C246-Q248 PolarHBondContact SG-N 3.37Å; C246-Q248 VanDerWaalsContact SG-N 3.4Å; Q248-D250 VanDerWaalsContact C-N 3.25Å; Q248-D250 PolarHBondContact O-N 3.23Å; Q248-I251 PolarHBondContact O-N 3.28Å; Q248-I251 VanDerWaalsContact O-N 3.13Å; Q248-M252 HydrophobicContact CB-CG 4.48Å; Q248-M252 VanDerWaalsContact O-CG 3.32Å; Q248-M252 WeakPolarHBondContact O-CG 3.3Å; Q248-M252 PolarHBondContact O-N 3.26Å; Q248-Y268 PolarHBondContact OE1-OH 2.95Å |
| 249 | S | 85.4 | Confident | 91.5 | Very high | 16 Ų | 16 | 54.9 Ų | 54.9 | 11% | 0.112 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | -41.1 | 179.8 | 56.1 | 0 | 0 | 0 | 0 | 113.1 | C246 K247 M252 M253 R254 | C246-S249 WeakPolarHBondContact O-CB 3.29Å; C246-S249 PolarHBondContact O-N 2.92Å; C246-S249 PolarHBondContact O-OG 3.31Å; K247-S249 VanDerWaalsContact C-N 3.33Å; S249-M252 CarbonylContact O-C 3.55Å; S249-M252 PolarHBondContact O-N 3.4Å; S249-M253 PolarHBondContact O-N 3.03Å; S249-R254 WeakPolarHBondContact CB-O 3.2Å; S249-R254 PolarHBondContact O-N 3.05Å |
| 250 | D | 81.6 | Confident | 91.7 | Very high | 87 Ų | 87 | 51 Ų | 51 | 47% | 0.465 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -43 | 177.5 | -63.9 | -28.8 | 0 | 0 | 0 | 112.3 | K24 Q248 M252 M253 | K24-D250 WeakPolarHBondContact CE-OD1 3.34Å; K24-D250 IonicContact NZ-OD1 3.9Å; K24-D250 PolarHBondContact NZ-OD1 2.85Å; Q248-D250 VanDerWaalsContact C-N 3.25Å; Q248-D250 PolarHBondContact O-N 3.23Å; D250-M252 VanDerWaalsContact C-N 3.26Å; D250-M252 PolarHBondContact O-N 3.44Å; D250-M253 PolarHBondContact O-N 3.38Å; D250-M253 VanDerWaalsContact O-N 3.11Å |
| 251 | I | 83.6 | Confident | 91.7 | Very high | 138 Ų | 138 | 52.6 Ų | 52.6 | 71% | 0.708 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -36.2 | 177.4 | -61.4 | 172.5 | 0 | 0 | 0 | 110.5 | Q248 M253 | Q248-I251 PolarHBondContact O-N 3.28Å; Q248-I251 VanDerWaalsContact O-N 3.13Å; I251-M253 VanDerWaalsContact C-N 3.28Å |
| 252 | M | 84.6 | Confident | 91.8 | Very high | 40 Ų | 40 | 47.4 Ų | 47.4 | 20% | 0.197 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -1.2 | 178.5 | -60.3 | -176.8 | 95.9 | 0 | 0 | 113.2 | W208 Q248 S249 D250 R254 L257 Y268 | W208-M252 HydrophobicContact CH2-CE 3.98Å; W208-M252 HydrophobicContact CH2-SD 4.45Å; W208-M252 HydrophobicContact CZ2-CE 3.51Å; W208-M252 HydrophobicContact CZ2-SD 4.31Å; Q248-M252 HydrophobicContact CB-CG 4.48Å; Q248-M252 VanDerWaalsContact O-CG 3.32Å; Q248-M252 WeakPolarHBondContact O-CG 3.3Å; Q248-M252 PolarHBondContact O-N 3.26Å; S249-M252 CarbonylContact O-C 3.55Å; S249-M252 PolarHBondContact O-N 3.4Å; D250-M252 VanDerWaalsContact C-N 3.26Å; D250-M252 PolarHBondContact O-N 3.44Å; M252-R254 VanDerWaalsContact O-CG 3.29Å; M252-R254 WeakPolarHBondContact O-CG 3.49Å; M252-R254 PolarHBondContact O-N 2.89Å; M252-L257 HydrophobicContact CB-CD2 4.45Å; M252-L257 HydrophobicContact SD-CD2 3.73Å; M252-Y268 HydrophobicContact CE-CD2 4.23Å; M252-Y268 HydrophobicContact CE-CG 4.19Å; M252-Y268 HydrophobicContact SD-CD1 4.1Å; M252-Y268 HydrophobicContact SD-CE1 4.35Å; M252-Y268 HydrophobicContact SD-CG 4.25Å |
| 253 | M | 87.1 | Confident | 91.7 | Very high | 52 Ų | 52 | 47.6 Ų | 47.6 | 26% | 0.256 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.4 | 39.4 | -177.3 | -55.2 | -64.9 | -172.4 | 0 | 0 | 112.7 | F25 L26 R27 S249 D250 I251 | F25-M253 HydrophobicContact CB-CE 4.36Å; F25-M253 HydrophobicContact CB-SD 3.86Å; L26-M253 WeakPolarHBondContact CA-O 3.44Å; R27-M253 HydrophobicContact CB-CB 3.99Å; R27-M253 PolarHBondContact N-O 3.01Å; S249-M253 PolarHBondContact O-N 3.03Å; D250-M253 PolarHBondContact O-N 3.38Å; D250-M253 VanDerWaalsContact O-N 3.11Å; I251-M253 VanDerWaalsContact C-N 3.28Å |
| 254 | R | 88.1 | Confident | 91.3 | Very high | 5 Ų | 5 | 51.5 Ų | 51.5 | 2% | 0.019 | 27% | 0.269 | C | S | . | . | trans | -128.5 | 131.1 | -177.1 | -67.8 | -122 | 179 | -155.3 | -4.3 | 111 | M43 D44 W208 S249 M252 L257 Q270 | M43-R254 PolarHBondContact O-NH1 3.15Å; D44-R254 IonicContact OD2-CZ 2.82Å; D44-R254 IonicContact OD2-NH1 3.38Å; D44-R254 PolarHBondContact OD2-NH1 3.1Å; D44-R254 IonicContact OD2-NH2 2.83Å; D44-R254 PolarHBondContact OD2-NH2 2.75Å; W208-R254 VanDerWaalsContact CB-NH2 3.3Å; W208-R254 HydrophobicContact CH2-CG 4.47Å; W208-R254 HydrophobicContact CZ2-CG 4.11Å; S249-R254 WeakPolarHBondContact CB-O 3.2Å; S249-R254 PolarHBondContact O-N 3.05Å; M252-R254 VanDerWaalsContact O-CG 3.29Å; M252-R254 WeakPolarHBondContact O-CG 3.49Å; M252-R254 PolarHBondContact O-N 2.89Å; R254-L257 HydrophobicContact CB-CD2 4.44Å; R254-Q270 VanDerWaalsContact CD-OE1 3.27Å | ||
| 255 | D | 89.8 | Confident | 91.2 | Very high | 34 Ų | 34 | 51.6 Ų | 51.6 | 18% | 0.182 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -84 | 164.2 | 173 | 54.2 | -23.3 | 0 | 0 | 0 | 112.1 | L26 R28 L257 Q270 | L26-D255 HydrophobicContact CD1-CB 4.22Å; L26-D255 HydrophobicContact CD2-CB 4.05Å; R28-D255 IonicContact CZ-OD1 2.7Å; R28-D255 IonicContact CZ-OD2 3.2Å; R28-D255 IonicContact NH1-OD1 2.58Å; R28-D255 PolarHBondContact NH1-OD1 2.88Å; R28-D255 IonicContact NH1-OD2 2.82Å; R28-D255 VanDerWaalsContact NH2-CG 3.33Å; R28-D255 IonicContact NH2-OD1 2.79Å; R28-D255 PolarHBondContact NH2-OD1 3Å; R28-D255 IonicContact NH2-OD2 3.45Å; R28-D255 PolarHBondContact NH2-OD2 2.85Å; D255-L257 PolarHBondContact O-N 2.91Å; D255-L257 VanDerWaalsContact O-N 3.09Å; D255-Q270 WeakPolarHBondContact O-CG 3.22Å; D255-Q270 PolarHBondContact O-NE2 2.9Å; D255-Q270 PolarHBondContact OD1-NE2 3.02Å |
| 256 | N | 92.3 | Very high | 91.1 | Very high | 30 Ų | 30 | 48.5 Ų | 48.5 | 16% | 0.16 | 26% | 0.256 | C | S | . | . | S | Bend | trans | 51.1 | 37.1 | 175.3 | -50 | -36.2 | 0 | 0 | 0 | 113.2 | Q270 A271 S273 P274 M277 | N256-Q270 WeakPolarHBondContact O-CA 3.28Å; N256-A271 HydrophobicContact CB-CB 4.43Å; N256-A271 VanDerWaalsContact CB-O 3.3Å; N256-A271 WeakPolarHBondContact CB-O 3.34Å; N256-A271 PolarHBondContact O-N 2.7Å; N256-S273 VanDerWaalsContact CG-C 3.5Å; N256-P274 WeakPolarHBondContact OD1-CA 3.49Å; N256-P274 WeakPolarHBondContact OD1-CD 3.41Å; N256-M277 VanDerWaalsContact CA-SD 3.6Å; N256-M277 HydrophobicContact CB-CB 4.39Å |
| 257 | L | 95 | Very high | 91.2 | Very high | 2 Ų | 2 | 48.6 Ų | 48.6 | 1% | 0.01 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 124.5 | -172.3 | -172 | 71.8 | 0 | 0 | 0 | 111.1 | W208 C246 M252 R254 D255 V269 Q270 M277 | W208-L257 HydrophobicContact CH2-CD1 3.43Å; W208-L257 VanDerWaalsContact CH2-CD1 3.43Å; W208-L257 HydrophobicContact CH2-CD2 4.25Å; W208-L257 HydrophobicContact CZ3-CD1 3.6Å; C246-L257 HydrophobicContact CB-CB 4.12Å; C246-L257 HydrophobicContact CB-CD2 3.71Å; C246-L257 HydrophobicContact CB-CG 3.67Å; C246-L257 VanDerWaalsContact CB-O 3.3Å; C246-L257 WeakPolarHBondContact CB-O 3.49Å; C246-L257 PolarHBondContact N-O 2.64Å; M252-L257 HydrophobicContact CB-CD2 4.45Å; M252-L257 HydrophobicContact SD-CD2 3.73Å; R254-L257 HydrophobicContact CB-CD2 4.44Å; D255-L257 PolarHBondContact O-N 2.91Å; D255-L257 VanDerWaalsContact O-N 3.09Å; L257-V269 WeakPolarHBondContact CD1-O 3.22Å; L257-Q270 HydrophobicContact CD1-CB 3.95Å; L257-M277 PolarHBondContact N-SD 3.17Å; L257-M277 VanDerWaalsContact N-SD 3.45Å |
| 258 | F | 97.1 | Very high | 91.5 | Very high | 2 Ų | 2 | 42.1 Ų | 42.1 | 1% | 0.009 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 160.8 | 171.2 | 70.8 | -83.6 | 0 | 0 | 0 | 111 | V243 Q244 I260 V269 A271 M277 W280 I281 | V243-F258 HydrophobicContact CG2-CD2 4.2Å; Q244-F258 CarbonylContact O-C 3.59Å; Q244-F258 VanDerWaalsContact O-CA 3.31Å; Q244-F258 WeakPolarHBondContact O-CA 3.49Å; Q244-F258 WeakPolarHBondContact O-CB 3.23Å; F258-I260 HydrophobicContact CD2-CG1 4.23Å; F258-I260 HydrophobicContact CE2-CD1 4.02Å; F258-I260 HydrophobicContact CE2-CG1 3.96Å; F258-V269 HydrophobicContact CD1-CB 4.12Å; F258-V269 HydrophobicContact CD1-CG1 4.4Å; F258-V269 WeakPolarHBondContact CD1-O 3.44Å; F258-V269 HydrophobicContact CD2-CB 4.35Å; F258-V269 HydrophobicContact CE1-CB 3.64Å; F258-V269 HydrophobicContact CE1-CG1 3.5Å; F258-V269 VanDerWaalsContact CE1-CG1 3.5Å; F258-V269 WeakPolarHBondContact CE1-O 3.26Å; F258-V269 HydrophobicContact CE2-CB 3.89Å; F258-V269 HydrophobicContact CE2-CG1 4.27Å; F258-V269 HydrophobicContact CE2-CG2 4.34Å; F258-V269 HydrophobicContact CG-CB 4.47Å; F258-V269 HydrophobicContact CZ-CB 3.52Å; F258-V269 HydrophobicContact CZ-CG1 3.43Å; F258-V269 VanDerWaalsContact CZ-CG1 3.43Å; F258-V269 HydrophobicContact CZ-CG2 4.28Å; F258-V269 PolarHBondContact N-O 2.78Å; F258-V269 PolarHBondContact O-N 3.27Å; F258-A271 HydrophobicContact CE1-CB 4.5Å; F258-M277 HydrophobicContact CB-CG 3.97Å; F258-M277 HydrophobicContact CB-SD 4.48Å; F258-M277 HydrophobicContact CD1-CG 3.95Å; F258-M277 HydrophobicContact CG-CG 4.37Å; F258-W280 HydrophobicContact CE1-CB 4.09Å; F258-W280 HydrophobicContact CE1-CG 4.41Å; F258-W280 HydrophobicContact CE2-CB 4.35Å; F258-W280 HydrophobicContact CZ-CB 3.82Å; F258-W280 HydrophobicContact CZ-CG 4.15Å; F258-I281 HydrophobicContact CB-CD1 3.78Å; F258-I281 HydrophobicContact CB-CG1 3.82Å; F258-I281 HydrophobicContact CD2-CG1 4.26Å; F258-I281 HydrophobicContact CG-CG1 4.14Å |
| 259 | E | 97.1 | Very high | 91.8 | Very high | 23 Ų | 23 | 38.1 Ų | 38.1 | 11% | 0.107 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 139.5 | 178.8 | 64 | -177.8 | -164 | 0 | 0 | 111.4 | V243 Q244 V261 T266 F267 Y268 | V243-E259 WeakPolarHBondContact CA-O 3.18Å; Q244-E259 HydrophobicContact CG-CG 3.81Å; Q244-E259 PolarHBondContact N-O 3.26Å; Q244-E259 VanDerWaalsContact N-O 3.12Å; Q244-E259 PolarHBondContact NE2-OE1 3.42Å; Q244-E259 PolarHBondContact O-N 3.35Å; E259-V261 HydrophobicContact CG-CG2 4.36Å; E259-T266 HydrophobicContact CB-CG2 3.8Å; E259-F267 CarbonylContact C-O 3.58Å; E259-F267 VanDerWaalsContact CA-O 3.27Å; E259-F267 WeakPolarHBondContact CA-O 3.36Å; E259-Y268 HydrophobicContact CB-CD1 4.03Å; E259-Y268 HydrophobicContact CB-CE1 4.18Å; E259-Y268 WeakPolarHBondContact OE2-CE1 3.37Å |
| 260 | I | 97.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 109 | 170 | -54.3 | 168.1 | 0 | 0 | 0 | 106.6 | I220 V240 V243 F258 T262 T266 F267 | I220-I260 HydrophobicContact CD1-CD1 3.91Å; V240-I260 HydrophobicContact CB-CG2 4.48Å; V240-I260 HydrophobicContact CG1-CG2 3.7Å; V240-I260 HydrophobicContact CG2-CG2 3.94Å; V243-I260 HydrophobicContact CG2-CG1 4.13Å; F258-I260 HydrophobicContact CD2-CG1 4.23Å; F258-I260 HydrophobicContact CE2-CD1 4.02Å; F258-I260 HydrophobicContact CE2-CG1 3.96Å; I260-T262 HydrophobicContact CG2-CG2 4.35Å; I260-T266 WeakPolarHBondContact O-CA 3.39Å; I260-F267 HydrophobicContact CB-CB 4.28Å; I260-F267 PolarHBondContact N-O 2.72Å; I260-F267 PolarHBondContact O-N 3.15Å |
| 261 | V | 96.5 | Very high | 92.8 | Very high | 35 Ų | 35 | 33.2 Ų | 33.2 | 21% | 0.212 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 113.4 | -179.9 | -174.3 | 0 | 0 | 0 | 0 | 108.3 | H241 K242 E259 T266 | H241-V261 PolarHBondContact N-O 2.97Å; K242-V261 HydrophobicContact CB-CB 3.95Å; K242-V261 HydrophobicContact CB-CG2 4.1Å; K242-V261 PolarHBondContact N-O 3.37Å; K242-V261 PolarHBondContact O-N 3.35Å; E259-V261 HydrophobicContact CG-CG2 4.36Å; V261-T266 HydrophobicContact CG2-CG2 4.1Å |
| 262 | T | 95.8 | Very high | 93 | Very high | 8 Ų | 8 | 30 Ų | 30 | 5% | 0.049 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 171.6 | 170.8 | 78.1 | 0 | 0 | 0 | 0 | 111.2 | I235 E239 V240 I260 S264 R265 F267 | I235-T262 HydrophobicContact CG2-CG2 3.66Å; E239-T262 WeakPolarHBondContact O-CA 3.41Å; E239-T262 WeakPolarHBondContact O-CB 3.43Å; V240-T262 HydrophobicContact CG2-CG2 4.29Å; I260-T262 HydrophobicContact CG2-CG2 4.35Å; T262-S264 PolarHBondContact O-N 3.24Å; T262-S264 PolarHBondContact OG1-N 2.83Å; T262-S264 PolarHBondContact OG1-OG 2.79Å; T262-R265 PolarHBondContact N-O 3.21Å; T262-R265 PolarHBondContact OG1-N 3.21Å; T262-R265 VanDerWaalsContact OG1-N 3.15Å; T262-R265 PolarHBondContact OG1-O 3.22Å; T262-F267 HydrophobicContact CG2-CD2 4.06Å; T262-F267 HydrophobicContact CG2-CE2 3.79Å |
| 263 | T | 92.1 | Very high | 93.2 | Very high | 100 Ų | 100 | 29.6 Ų | 29.6 | 61% | 0.613 | 17% | 0.166 | S | C | * | . | S | Bend | trans | -54 | -37.4 | 175.8 | -39.5 | 0 | 0 | 0 | 0 | 113 | E239 H241 | E239-T263 PolarHBondContact O-N 3.44Å; H241-T263 WeakPolarHBondContact NE2-CA 3.38Å; H241-T263 PolarHBondContact NE2-OG1 3.39Å; H241-T263 VanDerWaalsContact NE2-OG1 3.13Å |
| 264 | S | 90.2 | Very high | 93.5 | Very high | 97 Ų | 97 | 29.7 Ų | 29.7 | 68% | 0.678 | 17% | 0.171 | S | C | * | . | S | Bend | trans | -101.2 | -23.5 | -172.8 | 56.9 | 0 | 0 | 0 | 0 | 113.6 | T262 | T262-S264 PolarHBondContact O-N 3.24Å; T262-S264 PolarHBondContact OG1-N 2.83Å; T262-S264 PolarHBondContact OG1-OG 2.79Å |
| 265 | R | 93.2 | Very high | 93.8 | Very high | 43 Ų | 43 | 35.5 Ų | 35.5 | 16% | 0.162 | 20% | 0.198 | C | C | . | . | trans | -163.9 | 145.5 | -171.5 | 179.4 | 171 | 175.3 | -156.5 | -3.7 | 113.4 | Q201 G202 A203 T262 F267 | Q201-R265 PolarHBondContact O-NH2 3.3Å; Q201-R265 VanDerWaalsContact O-NH2 3.12Å; G202-R265 VanDerWaalsContact C-NH2 3.34Å; G202-R265 PolarHBondContact O-NH2 2.92Å; A203-R265 VanDerWaalsContact CA-CZ 3.43Å; A203-R265 VanDerWaalsContact CA-NH2 3.3Å; T262-R265 PolarHBondContact N-O 3.21Å; T262-R265 PolarHBondContact OG1-N 3.21Å; T262-R265 VanDerWaalsContact OG1-N 3.15Å; T262-R265 PolarHBondContact OG1-O 3.22Å; R265-F267 HydrophobicContact CB-CE2 4.28Å; R265-F267 HydrophobicContact CG-CE2 4.38Å | ||
| 266 | T | 95 | Very high | 94.1 | Very high | 43 Ų | 43 | 37.3 Ų | 37.3 | 26% | 0.264 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 128.1 | 162.4 | -53.2 | 0 | 0 | 0 | 0 | 111.5 | E259 I260 V261 Y268 | E259-T266 HydrophobicContact CB-CG2 3.8Å; I260-T266 WeakPolarHBondContact O-CA 3.39Å; V261-T266 HydrophobicContact CG2-CG2 4.1Å; T266-Y268 HydrophobicContact CG2-CE1 4.1Å; T266-Y268 HydrophobicContact CG2-CE2 4.1Å |
| 267 | F | 95.9 | Very high | 94.3 | Very high | 5 Ų | 5 | 36 Ų | 36 | 2% | 0.022 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 115.4 | 172.5 | -62.1 | -95.9 | 0 | 0 | 0 | 109.7 | Y222 I235 E259 I260 T262 R265 V269 | Y222-F267 HydrophobicContact CE1-CE1 4.27Å; I235-F267 HydrophobicContact CD1-CD1 4.23Å; I235-F267 HydrophobicContact CD1-CD2 3.85Å; I235-F267 HydrophobicContact CD1-CE1 3.93Å; I235-F267 HydrophobicContact CD1-CE2 3.53Å; I235-F267 HydrophobicContact CD1-CG 4.19Å; I235-F267 HydrophobicContact CD1-CZ 3.56Å; I235-F267 HydrophobicContact CG1-CE2 4.23Å; I235-F267 HydrophobicContact CG1-CZ 4.11Å; E259-F267 CarbonylContact C-O 3.58Å; E259-F267 VanDerWaalsContact CA-O 3.27Å; E259-F267 WeakPolarHBondContact CA-O 3.36Å; I260-F267 HydrophobicContact CB-CB 4.28Å; I260-F267 PolarHBondContact N-O 2.72Å; I260-F267 PolarHBondContact O-N 3.15Å; T262-F267 HydrophobicContact CG2-CD2 4.06Å; T262-F267 HydrophobicContact CG2-CE2 3.79Å; R265-F267 HydrophobicContact CB-CE2 4.28Å; R265-F267 HydrophobicContact CG-CE2 4.38Å; F267-V269 HydrophobicContact CB-CG2 4.42Å |
| 268 | Y | 95.8 | Very high | 94.4 | Very high | 41 Ų | 41 | 40.7 Ų | 40.7 | 16% | 0.161 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 125.6 | 170.4 | -59.3 | -80 | 0 | 0 | 0 | 109.9 | K200 Q201 C246 Q248 M252 E259 T266 | K200-Y268 WeakPolarHBondContact CA-O 3.43Å; Q201-Y268 PolarHBondContact N-O 2.85Å; C246-Y268 VanDerWaalsContact SG-CE1 3.58Å; Q248-Y268 PolarHBondContact OE1-OH 2.95Å; M252-Y268 HydrophobicContact CE-CD2 4.23Å; M252-Y268 HydrophobicContact CE-CG 4.19Å; M252-Y268 HydrophobicContact SD-CD1 4.1Å; M252-Y268 HydrophobicContact SD-CE1 4.35Å; M252-Y268 HydrophobicContact SD-CG 4.25Å; E259-Y268 HydrophobicContact CB-CD1 4.03Å; E259-Y268 HydrophobicContact CB-CE1 4.18Å; E259-Y268 WeakPolarHBondContact OE2-CE1 3.37Å; T266-Y268 HydrophobicContact CG2-CE1 4.1Å; T266-Y268 HydrophobicContact CG2-CE2 4.1Å |
| 269 | V | 95.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 122.2 | -174.1 | -173.1 | 0 | 0 | 0 | 0 | 109 | C198 V199 K200 F213 L257 F258 F267 | C198-V269 HydrophobicContact CB-CG1 3.35Å; V199-V269 CarbonylContact O-C 3.57Å; V199-V269 WeakPolarHBondContact O-CA 3.41Å; K200-V269 HydrophobicContact CB-CG2 4.24Å; F213-V269 HydrophobicContact CE1-CG2 4.22Å; F213-V269 HydrophobicContact CE2-CG1 4.09Å; F213-V269 HydrophobicContact CZ-CG1 4Å; F213-V269 HydrophobicContact CZ-CG2 3.91Å; L257-V269 WeakPolarHBondContact CD1-O 3.22Å; F258-V269 HydrophobicContact CD1-CB 4.12Å; F258-V269 HydrophobicContact CD1-CG1 4.4Å; F258-V269 WeakPolarHBondContact CD1-O 3.44Å; F258-V269 HydrophobicContact CD2-CB 4.35Å; F258-V269 HydrophobicContact CE1-CB 3.64Å; F258-V269 HydrophobicContact CE1-CG1 3.5Å; F258-V269 VanDerWaalsContact CE1-CG1 3.5Å; F258-V269 WeakPolarHBondContact CE1-O 3.26Å; F258-V269 HydrophobicContact CE2-CB 3.89Å; F258-V269 HydrophobicContact CE2-CG1 4.27Å; F258-V269 HydrophobicContact CE2-CG2 4.34Å; F258-V269 HydrophobicContact CG-CB 4.47Å; F258-V269 HydrophobicContact CZ-CB 3.52Å; F258-V269 HydrophobicContact CZ-CG1 3.43Å; F258-V269 VanDerWaalsContact CZ-CG1 3.43Å; F258-V269 HydrophobicContact CZ-CG2 4.28Å; F258-V269 PolarHBondContact N-O 2.78Å; F258-V269 PolarHBondContact O-N 3.27Å; F267-V269 HydrophobicContact CB-CG2 4.42Å |
| 270 | Q | 93.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 126 | 175.6 | 169 | 172.2 | 62.3 | 0 | 0 | 109 | M43 C198 V199 W208 R254 D255 N256 L257 | M43-Q270 HydrophobicContact CE-CG 3.81Å; C198-Q270 WeakPolarHBondContact CB-O 3.45Å; V199-Q270 HydrophobicContact CB-CB 4.31Å; V199-Q270 PolarHBondContact N-O 3.32Å; V199-Q270 PolarHBondContact O-N 2.98Å; W208-Q270 HydrophobicContact CZ3-CB 4.35Å; R254-Q270 VanDerWaalsContact CD-OE1 3.27Å; D255-Q270 WeakPolarHBondContact O-CG 3.22Å; D255-Q270 PolarHBondContact O-NE2 2.9Å; D255-Q270 PolarHBondContact OD1-NE2 3.02Å; N256-Q270 WeakPolarHBondContact O-CA 3.28Å; L257-Q270 HydrophobicContact CD1-CB 3.95Å |
| 271 | A | 93.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.237 | C | C | . | . | trans | -90.4 | 163.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | N256 F258 S273 E276 M277 | N256-A271 HydrophobicContact CB-CB 4.43Å; N256-A271 VanDerWaalsContact CB-O 3.3Å; N256-A271 WeakPolarHBondContact CB-O 3.34Å; N256-A271 PolarHBondContact O-N 2.7Å; F258-A271 HydrophobicContact CE1-CB 4.5Å; A271-S273 VanDerWaalsContact C-N 3.3Å; A271-S273 PolarHBondContact O-N 2.84Å; A271-E276 HydrophobicContact CB-CB 4.04Å; A271-M277 HydrophobicContact CB-CB 3.92Å | ||
| 272 | D | 88.1 | Confident | 94.6 | Very high | 71 Ų | 71 | 49.3 Ų | 49.3 | 38% | 0.38 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -74.3 | -22.7 | -178.8 | -68.3 | -13.1 | 0 | 0 | 0 | 112.7 | R210 | R210-D272 IonicContact CZ-OD1 3.29Å; R210-D272 IonicContact CZ-OD2 3.55Å; R210-D272 VanDerWaalsContact CZ-OD2 3.28Å; R210-D272 VanDerWaalsContact NH1-CG 3.34Å; R210-D272 IonicContact NH1-OD1 3.75Å; R210-D272 PolarHBondContact NH1-OD1 3.41Å; R210-D272 IonicContact NH1-OD2 2.76Å; R210-D272 PolarHBondContact NH1-OD2 2.92Å; R210-D272 IonicContact NH2-OD1 2.87Å; R210-D272 IonicContact NH2-OD2 3.25Å; R210-D272 PolarHBondContact NH2-OD2 3.42Å |
| 273 | S | 89.9 | Confident | 94.7 | Very high | 30 Ų | 30 | 49.8 Ų | 49.8 | 21% | 0.21 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -146.9 | 160.5 | 179.5 | 93.4 | 0 | 0 | 0 | 0 | 111.4 | N256 A271 E275 E276 M277 | N256-S273 VanDerWaalsContact CG-C 3.5Å; A271-S273 VanDerWaalsContact C-N 3.3Å; A271-S273 PolarHBondContact O-N 2.84Å; S273-E275 VanDerWaalsContact C-N 3.26Å; S273-E275 WeakPolarHBondContact CB-OE2 3.43Å; S273-E275 PolarHBondContact O-N 3.44Å; S273-E275 PolarHBondContact OG-N 3.35Å; S273-E275 PolarHBondContact OG-OE2 2.58Å; S273-E276 PolarHBondContact O-N 2.81Å; S273-E276 PolarHBondContact OG-N 3.01Å; S273-E276 VanDerWaalsContact OG-N 3.12Å; S273-M277 PolarHBondContact O-N 2.82Å |
| 274 | P | 92.9 | Very high | 94.9 | Very high | 54 Ų | 54 | 45 Ų | 45 | 35% | 0.351 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -64.1 | -33.4 | 175.7 | 24.6 | -32 | 0 | 0 | 0 | 111.7 | N256 M277 H278 | N256-P274 WeakPolarHBondContact OD1-CA 3.49Å; N256-P274 WeakPolarHBondContact OD1-CD 3.41Å; P274-M277 PolarHBondContact O-N 2.89Å; P274-H278 PolarHBondContact O-N 2.94Å; P274-H278 PolarHBondContact O-ND1 2.79Å |
| 275 | E | 94.9 | Very high | 95.2 | Very high | 127 Ų | 127 | 42.5 Ų | 42.5 | 59% | 0.593 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -63.1 | -45.2 | 174.9 | -56.4 | 73.3 | -156.9 | 0 | 0 | 110.8 | S273 H278 S279 | S273-E275 VanDerWaalsContact C-N 3.26Å; S273-E275 WeakPolarHBondContact CB-OE2 3.43Å; S273-E275 PolarHBondContact O-N 3.44Å; S273-E275 PolarHBondContact OG-N 3.35Å; S273-E275 PolarHBondContact OG-OE2 2.58Å; E275-H278 PolarHBondContact O-N 3.41Å; E275-S279 WeakPolarHBondContact O-CB 3.45Å; E275-S279 PolarHBondContact O-N 3.38Å |
| 276 | E | 95.3 | Very high | 95.3 | Very high | 72 Ų | 72 | 42.4 Ų | 42.4 | 34% | 0.336 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -65 | -40.3 | 176.9 | -82.1 | -61.2 | 103.2 | 0 | 0 | 111.9 | K194 A271 S273 S279 W280 | K194-E276 IonicContact NZ-OE1 3.28Å; K194-E276 PolarHBondContact NZ-OE1 3.42Å; K194-E276 VanDerWaalsContact NZ-OE1 3.13Å; K194-E276 IonicContact NZ-OE2 3.76Å; K194-E276 PolarHBondContact NZ-OE2 2.85Å; A271-E276 HydrophobicContact CB-CB 4.04Å; S273-E276 PolarHBondContact O-N 2.81Å; S273-E276 PolarHBondContact OG-N 3.01Å; S273-E276 VanDerWaalsContact OG-N 3.12Å; E276-S279 WeakPolarHBondContact O-CB 3.08Å; E276-S279 PolarHBondContact O-N 2.97Å; E276-W280 PolarHBondContact O-N 2.81Å |
| 277 | M | 96.8 | Very high | 95.3 | Very high | 4 Ų | 4 | 40.6 Ų | 40.6 | 2% | 0.02 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -56.4 | -53.5 | 174.2 | -179.6 | -175.5 | 71.2 | 0 | 0 | 111.4 | E245 N256 L257 F258 A271 S273 P274 S279 W280 I281 | E245-M277 HydrophobicContact CG-CE 3.95Å; E245-M277 HydrophobicContact CG-SD 4.1Å; N256-M277 VanDerWaalsContact CA-SD 3.6Å; N256-M277 HydrophobicContact CB-CB 4.39Å; L257-M277 PolarHBondContact N-SD 3.17Å; L257-M277 VanDerWaalsContact N-SD 3.45Å; F258-M277 HydrophobicContact CB-CG 3.97Å; F258-M277 HydrophobicContact CB-SD 4.48Å; F258-M277 HydrophobicContact CD1-CG 3.95Å; F258-M277 HydrophobicContact CG-CG 4.37Å; A271-M277 HydrophobicContact CB-CB 3.92Å; S273-M277 PolarHBondContact O-N 2.82Å; P274-M277 PolarHBondContact O-N 2.89Å; M277-S279 VanDerWaalsContact C-N 3.32Å; M277-S279 PolarHBondContact O-N 3.27Å; M277-W280 PolarHBondContact O-N 3.16Å; M277-I281 HydrophobicContact CG-CD1 3.97Å; M277-I281 WeakPolarHBondContact O-CG1 3.29Å; M277-I281 PolarHBondContact O-N 3.22Å |
| 278 | H | 97.8 | Very high | 95.2 | Very high | 100 Ų | 100 | 41.2 Ų | 41.2 | 46% | 0.463 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -65.6 | -36.4 | 179.9 | -66.2 | 111.3 | 0 | 0 | 0 | 112.1 | P274 E275 I281 K282 | P274-H278 PolarHBondContact O-N 2.94Å; P274-H278 PolarHBondContact O-ND1 2.79Å; E275-H278 PolarHBondContact O-N 3.41Å; H278-I281 PolarHBondContact O-N 3.07Å; H278-K282 VanDerWaalsContact O-CB 3.25Å; H278-K282 WeakPolarHBondContact O-CB 3.29Å; H278-K282 PolarHBondContact O-N 3.32Å |
| 279 | S | 97.8 | Very high | 95.1 | Very high | 46 Ų | 46 | 44 Ų | 44 | 32% | 0.322 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -60.3 | -45.7 | 174.6 | -174.4 | 0 | 0 | 0 | 0 | 111.4 | K194 E275 E276 M277 K282 A283 | K194-S279 PolarHBondContact NZ-OG 3.44Å; K194-S279 VanDerWaalsContact NZ-OG 3.13Å; E275-S279 WeakPolarHBondContact O-CB 3.45Å; E275-S279 PolarHBondContact O-N 3.38Å; E276-S279 WeakPolarHBondContact O-CB 3.08Å; E276-S279 PolarHBondContact O-N 2.97Å; M277-S279 VanDerWaalsContact C-N 3.32Å; M277-S279 PolarHBondContact O-N 3.27Å; S279-K282 PolarHBondContact O-N 2.86Å; S279-A283 VanDerWaalsContact O-CB 3.31Å; S279-A283 WeakPolarHBondContact O-CB 3.18Å; S279-A283 PolarHBondContact O-N 3.44Å |
| 280 | W | 98 | Very high | 94.9 | Very high | 1 Ų | 1 | 47.6 Ų | 47.6 | 0% | 0.004 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.5 | -48.9 | 174 | -83.4 | 111.4 | 0 | 0 | 0 | 112.6 | K194 C198 F213 L215 I220 F258 E276 M277 K282 A283 V284 | K194-W280 HydrophobicContact CB-CE3 4.49Å; K194-W280 HydrophobicContact CB-CH2 4.3Å; K194-W280 HydrophobicContact CB-CZ3 4.08Å; K194-W280 HydrophobicContact CD-CD2 3.73Å; K194-W280 HydrophobicContact CD-CE3 3.83Å; K194-W280 HydrophobicContact CD-CG 4.18Å; K194-W280 HydrophobicContact CD-CH2 4.39Å; K194-W280 HydrophobicContact CD-CZ2 4.3Å; K194-W280 HydrophobicContact CD-CZ3 4.17Å; K194-W280 VanDerWaalsContact CE-CD1 3.48Å; K194-W280 VanDerWaalsContact CE-NE1 3.32Å; K194-W280 HydrophobicContact CG-CD2 4.32Å; K194-W280 HydrophobicContact CG-CE3 4.18Å; K194-W280 HydrophobicContact CG-CH2 3.92Å; K194-W280 HydrophobicContact CG-CZ2 4.05Å; K194-W280 HydrophobicContact CG-CZ3 3.98Å; C198-W280 PolarHBondContact SG-NE1 3.4Å; F213-W280 HydrophobicContact CB-CH2 3.61Å; F213-W280 HydrophobicContact CB-CZ2 3.95Å; F213-W280 HydrophobicContact CB-CZ3 4.21Å; L215-W280 HydrophobicContact CB-CZ3 3.98Å; I220-W280 HydrophobicContact CD1-CZ3 4.48Å; F258-W280 HydrophobicContact CE1-CB 4.09Å; F258-W280 HydrophobicContact CE1-CG 4.41Å; F258-W280 HydrophobicContact CE2-CB 4.35Å; F258-W280 HydrophobicContact CZ-CB 3.82Å; F258-W280 HydrophobicContact CZ-CG 4.15Å; E276-W280 PolarHBondContact O-N 2.81Å; M277-W280 PolarHBondContact O-N 3.16Å; W280-K282 VanDerWaalsContact C-N 3.29Å; W280-K282 PolarHBondContact O-N 3.21Å; W280-A283 PolarHBondContact O-N 3.05Å; W280-V284 VanDerWaalsContact O-CG2 3.31Å; W280-V284 WeakPolarHBondContact O-CG2 3.47Å; W280-V284 PolarHBondContact O-N 3.4Å |
| 281 | I | 97.8 | Very high | 94.5 | Very high | 25 Ų | 25 | 50.4 Ų | 50.4 | 13% | 0.128 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -57 | -45.9 | 177.8 | -67.1 | 164.8 | 0 | 0 | 0 | 110.5 | V243 E245 F258 M277 H278 S285 | V243-I281 HydrophobicContact CG2-CB 4.46Å; V243-I281 HydrophobicContact CG2-CG1 4.23Å; V243-I281 HydrophobicContact CG2-CG2 4.45Å; E245-I281 HydrophobicContact CB-CD1 4.42Å; F258-I281 HydrophobicContact CB-CD1 3.78Å; F258-I281 HydrophobicContact CB-CG1 3.82Å; F258-I281 HydrophobicContact CD2-CG1 4.26Å; F258-I281 HydrophobicContact CG-CG1 4.14Å; M277-I281 HydrophobicContact CG-CD1 3.97Å; M277-I281 WeakPolarHBondContact O-CG1 3.29Å; M277-I281 PolarHBondContact O-N 3.22Å; H278-I281 PolarHBondContact O-N 3.07Å; I281-S285 VanDerWaalsContact O-CB 3.26Å; I281-S285 WeakPolarHBondContact O-CB 3.47Å; I281-S285 PolarHBondContact O-N 3.01Å; I281-S285 PolarHBondContact O-OG 3.37Å |
| 282 | K | 97.4 | Very high | 94 | Very high | 168 Ų | 168 | 59.5 Ų | 59.5 | 73% | 0.73 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -64.2 | -46.3 | 179.5 | -176.7 | -179.8 | 178.2 | -177.2 | 0 | 111.8 | H278 S279 W280 S285 G286 | H278-K282 VanDerWaalsContact O-CB 3.25Å; H278-K282 WeakPolarHBondContact O-CB 3.29Å; H278-K282 PolarHBondContact O-N 3.32Å; S279-K282 PolarHBondContact O-N 2.86Å; W280-K282 VanDerWaalsContact C-N 3.29Å; W280-K282 PolarHBondContact O-N 3.21Å; K282-S285 PolarHBondContact O-N 2.95Å; K282-G286 PolarHBondContact O-N 2.97Å |
| 283 | A | 97.3 | Very high | 92.9 | Very high | 19 Ų | 19 | 57.9 Ų | 57.9 | 16% | 0.157 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.3 | -48 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | I193 K194 L215 S279 W280 G286 A287 | I193-A283 HydrophobicContact CG2-CB 4.43Å; K194-A283 HydrophobicContact CB-CB 4.17Å; K194-A283 HydrophobicContact CD-CB 4.06Å; L215-A283 VanDerWaalsContact CD2-C 3.4Å; L215-A283 HydrophobicContact CD2-CB 3.63Å; S279-A283 VanDerWaalsContact O-CB 3.31Å; S279-A283 WeakPolarHBondContact O-CB 3.18Å; S279-A283 PolarHBondContact O-N 3.44Å; W280-A283 PolarHBondContact O-N 3.05Å; A283-G286 PolarHBondContact O-N 3.34Å; A283-A287 WeakPolarHBondContact O-CB 3.44Å; A283-A287 PolarHBondContact O-N 3.36Å |
| 284 | V | 97.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -63.9 | -44.9 | 178.6 | 177.6 | 0 | 0 | 0 | 0 | 110.9 | L215 I220 L237 V243 W280 G286 A287 I288 | L215-V284 HydrophobicContact CD1-CG2 4.21Å; L215-V284 HydrophobicContact CD2-CB 4.47Å; L215-V284 HydrophobicContact CD2-CG2 3.93Å; I220-V284 HydrophobicContact CD1-CG2 3.81Å; L237-V284 HydrophobicContact CD2-CG1 4.29Å; V243-V284 HydrophobicContact CB-CB 4.48Å; V243-V284 HydrophobicContact CB-CG1 4.06Å; V243-V284 HydrophobicContact CG1-CB 4.08Å; V243-V284 HydrophobicContact CG1-CG1 3.86Å; V243-V284 HydrophobicContact CG2-CB 4.26Å; V243-V284 HydrophobicContact CG2-CG1 4.23Å; W280-V284 VanDerWaalsContact O-CG2 3.31Å; W280-V284 WeakPolarHBondContact O-CG2 3.47Å; W280-V284 PolarHBondContact O-N 3.4Å; V284-G286 PolarHBondContact O-N 2.93Å; V284-A287 PolarHBondContact O-N 3.11Å; V284-I288 HydrophobicContact CG1-CD1 3.93Å; V284-I288 VanDerWaalsContact O-CG1 3.3Å; V284-I288 WeakPolarHBondContact O-CG1 3.38Å; V284-I288 PolarHBondContact O-N 3Å |
| 285 | S | 96.5 | Very high | 89.4 | Confident | 43 Ų | 43 | 63.2 Ų | 63.2 | 30% | 0.301 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -60.7 | -44.6 | 176.7 | -59.9 | 0 | 0 | 0 | 0 | 111.8 | V243 I281 K282 I288 V289 | V243-S285 WeakPolarHBondContact CG1-OG 3.33Å; I281-S285 VanDerWaalsContact O-CB 3.26Å; I281-S285 WeakPolarHBondContact O-CB 3.47Å; I281-S285 PolarHBondContact O-N 3.01Å; I281-S285 PolarHBondContact O-OG 3.37Å; K282-S285 PolarHBondContact O-N 2.95Å; S285-I288 PolarHBondContact O-N 2.97Å; S285-V289 WeakPolarHBondContact O-CG2 3.42Å; S285-V289 PolarHBondContact O-N 3.12Å |
| 286 | G | 95.6 | Very high | 87.3 | Confident | 41 Ų | 41 | 69.3 Ų | 69.3 | 42% | 0.423 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -60.9 | -44.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | K282 A283 V284 V289 A290 | K282-G286 PolarHBondContact O-N 2.97Å; A283-G286 PolarHBondContact O-N 3.34Å; V284-G286 PolarHBondContact O-N 2.93Å; G286-V289 PolarHBondContact O-N 2.85Å; G286-A290 WeakPolarHBondContact O-CB 3.48Å; G286-A290 PolarHBondContact O-N 3.18Å |
| 287 | A | 95.1 | Very high | 85.1 | Confident | 5 Ų | 5 | 71.2 Ų | 71.2 | 4% | 0.041 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -63.5 | -41.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | I193 L215 L237 A283 V284 V289 A290 Q291 | I193-A287 HydrophobicContact CD1-CB 3.82Å; L215-A287 HydrophobicContact CD1-CB 4.29Å; L215-A287 HydrophobicContact CD2-CB 4.43Å; L237-A287 HydrophobicContact CD1-CB 3.46Å; L237-A287 VanDerWaalsContact CD1-CB 3.46Å; A283-A287 WeakPolarHBondContact O-CB 3.44Å; A283-A287 PolarHBondContact O-N 3.36Å; V284-A287 PolarHBondContact O-N 3.11Å; A287-V289 PolarHBondContact O-N 2.71Å; A287-A290 PolarHBondContact O-N 2.93Å; A287-Q291 WeakPolarHBondContact O-CG 3.14Å; A287-Q291 PolarHBondContact O-N 3.3Å; A287-Q291 VanDerWaalsContact O-N 3.17Å |
| 288 | I | 94.2 | Very high | 82.5 | Confident | 18 Ų | 18 | 75.3 Ų | 75.3 | 9% | 0.092 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -61.7 | -42.1 | 174.8 | -67.6 | 163.5 | 0 | 0 | 0 | 111.5 | L237 V240 V284 S285 | L237-I288 HydrophobicContact CB-CG1 4.07Å; L237-I288 HydrophobicContact CD2-CG1 4.39Å; V240-I288 HydrophobicContact CB-CD1 3.86Å; V240-I288 HydrophobicContact CG1-CD1 3.57Å; V284-I288 HydrophobicContact CG1-CD1 3.93Å; V284-I288 VanDerWaalsContact O-CG1 3.3Å; V284-I288 WeakPolarHBondContact O-CG1 3.38Å; V284-I288 PolarHBondContact O-N 3Å; S285-I288 PolarHBondContact O-N 2.97Å |
| 289 | V | 93.4 | Very high | 79.8 | Confident | 100 Ų | 100 | 76.4 Ų | 76.4 | 61% | 0.606 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -67.3 | -43.4 | 178.1 | 171.9 | 0 | 0 | 0 | 0 | 111 | S285 G286 A287 Q291 R292 G293 | S285-V289 WeakPolarHBondContact O-CG2 3.42Å; S285-V289 PolarHBondContact O-N 3.12Å; G286-V289 PolarHBondContact O-N 2.85Å; A287-V289 PolarHBondContact O-N 2.71Å; V289-Q291 VanDerWaalsContact C-N 3.25Å; V289-Q291 PolarHBondContact O-N 2.93Å; V289-R292 PolarHBondContact O-N 2.85Å; V289-G293 PolarHBondContact O-N 2.97Å |
| 290 | A | 89.9 | Confident | 77.1 | Confident | 76 Ų | 76 | 78.9 Ų | 78.9 | 63% | 0.628 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -58.5 | -36.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | G286 A287 R292 G293 | G286-A290 WeakPolarHBondContact O-CB 3.48Å; G286-A290 PolarHBondContact O-N 3.18Å; A287-A290 PolarHBondContact O-N 2.93Å; A290-R292 VanDerWaalsContact C-N 3.27Å; A290-R292 PolarHBondContact O-N 3.39Å; A290-G293 PolarHBondContact O-N 3.37Å |
| 291 | Q | 86.1 | Confident | 74.3 | Confident | 59 Ų | 59 | 87.7 Ų | 87.7 | 28% | 0.276 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.9 | -27 | 175.1 | -73 | -171.8 | 7.5 | 0 | 0 | 114.5 | E217 N218 A287 V289 G293 | E217-Q291 PolarHBondContact O-NE2 2.85Å; N218-Q291 PolarHBondContact O-NE2 3Å; A287-Q291 WeakPolarHBondContact O-CG 3.14Å; A287-Q291 PolarHBondContact O-N 3.3Å; A287-Q291 VanDerWaalsContact O-N 3.17Å; V289-Q291 VanDerWaalsContact C-N 3.25Å; V289-Q291 PolarHBondContact O-N 2.93Å; Q291-G293 VanDerWaalsContact C-N 3.34Å |
| 292 | R | 81.7 | Confident | 71.8 | Confident | 190 Ų | 190 | 94.2 Ų | 94.2 | 72% | 0.717 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -86 | -10.2 | -177.8 | -65.2 | -179.2 | -177.9 | -178.7 | 2.1 | 112.6 | V289 A290 | V289-R292 PolarHBondContact O-N 2.85Å; A290-R292 VanDerWaalsContact C-N 3.27Å; A290-R292 PolarHBondContact O-N 3.39Å |
| 293 | G | 64.5 | Low | 69.3 | Low | 37 Ų | 37 | 91.4 Ų | 91.4 | 38% | 0.381 | 54% | 0.543 | S | S | . | . | trans | 66.8 | 161.8 | 180 | 0 | 0 | 0 | 0 | 0 | 113.8 | V289 A290 Q291 G295 | V289-G293 PolarHBondContact O-N 2.97Å; A290-G293 PolarHBondContact O-N 3.37Å; Q291-G293 VanDerWaalsContact C-N 3.34Å; G293-G295 PolarHBondContact O-N 3.08Å | ||
| 294 | P | 60 | Low | 66.7 | Low | 133 Ų | 133 | 96.5 Ų | 96.5 | 86% | 0.864 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -59.4 | 124.5 | 161.5 | -11.7 | 26.3 | 0 | 0 | 0 | 107.1 | R296 | P294-R296 PolarHBondContact O-N 3.26Š|
| 295 | G | 49.3 | Very low | 63.7 | Low | 64 Ų | 64 | 99.5 Ų | 99.5 | 66% | 0.66 | 61% | 0.606 | S | S | * | * | trans | -46.2 | 132.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | G293 S297 | G293-G295 PolarHBondContact O-N 3.08Å; G295-S297 PolarHBondContact O-N 3.36Å | ||
| 296 | R | 52.5 | Low | 61.4 | Low | 254 Ų | 254 | 103.6 Ų | 103.6 | 96% | 0.958 | 63% | 0.631 | S | S | * | * | trans | -64.4 | 75 | 162.1 | -72.4 | 179.5 | 164.2 | -162.2 | -3.9 | 108.6 | P294 | P294-R296 PolarHBondContact O-N 3.26Š| ||
| 297 | S | 47.9 | Very low | 58.7 | Low | 112 Ų | 112 | 107.5 Ų | 107.5 | 78% | 0.783 | 65% | 0.652 | S | S | * | * | trans | -96.9 | 55.6 | 158.7 | -57.4 | 0 | 0 | 0 | 0 | 107.7 | G295 T299 | G295-S297 PolarHBondContact O-N 3.36Å; S297-T299 VanDerWaalsContact C-N 3.31Å | ||
| 298 | A | 42.1 | Very low | 55.9 | Low | 90 Ų | 90 | 116.1 Ų | 116.1 | 74% | 0.744 | 69% | 0.691 | S | S | * | * | trans | -99.1 | 69.3 | 160.2 | 0 | 0 | 0 | 0 | 0 | 106.2 | S300 | A298-S300 PolarHBondContact O-N 2.93Å; A298-S300 VanDerWaalsContact O-N 3.08Å | ||
| 299 | T | 40.8 | Very low | 53.1 | Low | 124 Ų | 124 | 120.1 Ų | 120.1 | 76% | 0.761 | 72% | 0.721 | S | S | * | * | trans | -61.8 | 109.2 | 156.7 | -29.8 | 0 | 0 | 0 | 0 | 104.6 | S297 E301 | S297-T299 VanDerWaalsContact C-N 3.31Å; T299-E301 VanDerWaalsContact C-N 3.3Å; T299-E301 PolarHBondContact O-N 3.18Å | ||
| 300 | S | 42.5 | Very low | 50.4 | Low | 98 Ų | 98 | 124.1 Ų | 124.1 | 69% | 0.685 | 73% | 0.73 | S | S | * | * | trans | -58.9 | 96.3 | 170.5 | 179.1 | 0 | 0 | 0 | 0 | 107.3 | A298 H302 | A298-S300 PolarHBondContact O-N 2.93Å; A298-S300 VanDerWaalsContact O-N 3.08Å; S300-H302 PolarHBondContact O-N 3.09Å | ||
| 301 | E | 38.5 | Very low | 47.7 | Very low | 186 Ų | 186 | 128.1 Ų | 128.1 | 87% | 0.869 | 74% | 0.735 | S | S | * | * | trans | -71.9 | 91.4 | 162.9 | -71 | -155.5 | 146.9 | 0 | 0 | 107 | T299 | T299-E301 VanDerWaalsContact C-N 3.3Å; T299-E301 PolarHBondContact O-N 3.18Å | ||
| 302 | H | 44.8 | Very low | 45.4 | Very low | 161 Ų | 161 | 128.8 Ų | 128.8 | 75% | 0.745 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 127.7 | 159.5 | -116.3 | -80.1 | 0 | 0 | 0 | 108.2 | S300 | S300-H302 PolarHBondContact O-N 3.09Š|
| 303 | P | 44.8 | Very low | 43.1 | Very low | 109 Ų | 109 | 129.9 Ų | 129.9 | 71% | 0.708 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 133 | 173.8 | 28.4 | -30.1 | 0 | 0 | 0 | 109.4 | ||
| 304 | P | 43.4 | Very low | 41.6 | Very low | 127 Ų | 127 | 138.8 Ų | 138.8 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -78 | 127.8 | 169.3 | 30.4 | -28.3 | 0 | 0 | 0 | 109.3 | ||
| 305 | G | 34 | Very low | 41 | Very low | 63 Ų | 63 | 138.1 Ų | 138.1 | 65% | 0.649 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 166.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 306 | P | 48.6 | Very low | 40.4 | Very low | 129 Ų | 129 | 138.6 Ų | 138.6 | 84% | 0.838 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -87.5 | 144.1 | -167.1 | 34.2 | -31.2 | 0 | 0 | 0 | 111.9 | ||
| 307 | S | 38.7 | Very low | 39.7 | Very low | 122 Ų | 122 | 133.7 Ų | 133.7 | 85% | 0.853 | 77% | 0.77 | S | S | * | * | trans | -147.4 | 109.3 | 166.1 | -50.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 308 | E | 35.5 | Very low | 39.2 | Very low | 186 Ų | 186 | 132.8 Ų | 132.8 | 87% | 0.869 | 77% | 0.769 | S | S | * | * | trans | -65.9 | 145.3 | 163.2 | -60.1 | 176.4 | 132.4 | 0 | 0 | 108.4 | ||||
| 309 | S | 36 | Very low | 39 | Very low | 102 Ų | 102 | 132.8 Ų | 132.8 | 71% | 0.713 | 77% | 0.769 | S | S | * | * | 173.2 | 131.9 | 76.3 | -55.6 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 310 | K | 37.4 | Very low | 38.8 | Very low | 184 Ų | 184 | 131.1 Ų | 131.1 | 80% | 0.8 | 77% | 0.767 | S | S | * | * | 59.1 | 129.7 | 128.3 | -70.5 | -175.7 | 179.8 | -178.2 | 0 | 125.2 | |||||
| 311 | H | 33.2 | Very low | 38.4 | Very low | 161 Ų | 161 | 132.2 Ų | 132.2 | 75% | 0.745 | 77% | 0.77 | S | S | * | * | trans | 90.8 | 103.6 | 138.4 | -70.9 | -53.8 | 0 | 0 | 0 | 122.4 | ||||
| 312 | A | 36.8 | Very low | 38.3 | Very low | 73 Ų | 73 | 128.8 Ų | 128.8 | 60% | 0.603 | 76% | 0.762 | S | S | * | * | 30.3 | 133.3 | 124.9 | 0 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 313 | F | 33.5 | Very low | 38 | Very low | 212 Ų | 212 | 125.4 Ų | 125.4 | 93% | 0.93 | 76% | 0.756 | S | S | * | * | -175.7 | 140.1 | 106.3 | -89.7 | -70.6 | 0 | 0 | 0 | 111.1 | |||||
| 314 | R | 33.1 | Very low | 37.8 | Very low | 224 Ų | 224 | 128 Ų | 128 | 85% | 0.845 | 76% | 0.759 | S | S | * | * | trans | -89.7 | 166.7 | 168.9 | -135.5 | -174.6 | 173 | -175.4 | -2.4 | 108.3 | ||||
| 315 | P | 48.2 | Very low | 37.4 | Very low | 120 Ų | 120 | 126.7 Ų | 126.7 | 78% | 0.779 | 75% | 0.753 | S | S | * | * | -147.8 | 151.4 | 69.3 | 34.3 | -11.4 | 0 | 0 | 0 | 115.3 | |||||
| 316 | A | 35.6 | Very low | 37.3 | Very low | 73 Ų | 73 | 130.3 Ų | 130.3 | 60% | 0.603 | 76% | 0.763 | S | S | * | * | 74.2 | 134.7 | 106.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 317 | N | 38.5 | Very low | 36.6 | Very low | 152 Ų | 152 | 128.7 Ų | 128.7 | 81% | 0.813 | 76% | 0.76 | S | S | * | * | cis | -163 | 139.4 | 32.7 | -113.7 | -6.8 | 0 | 0 | 0 | 109.6 | ||||
| 318 | A | 36.8 | Very low | 36.3 | Very low | 93 Ų | 93 | 127.5 Ų | 127.5 | 77% | 0.769 | 75% | 0.752 | S | S | * | * | 87.2 | 140.7 | 104.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 319 | A | 37.8 | Very low | 36.2 | Very low | 89 Ų | 89 | 130.3 Ų | 130.3 | 74% | 0.736 | 75% | 0.754 | S | S | * | * | cis | -153.1 | 142.2 | 18.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 320 | A | 36.3 | Very low | 36.1 | Very low | 89 Ų | 89 | 130.8 Ų | 130.8 | 74% | 0.736 | 76% | 0.758 | S | S | * | * | 76.6 | 132.9 | 107 | 0 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 321 | T | 34.9 | Very low | 35.9 | Very low | 122 Ų | 122 | 129.6 Ų | 129.6 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | -159.9 | 132.1 | 52.1 | -12.4 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 322 | T | 37.5 | Very low | 35.8 | Very low | 113 Ų | 113 | 126.9 Ų | 126.9 | 69% | 0.693 | 76% | 0.759 | S | S | * | * | trans | 52.3 | 114.3 | 135.8 | 47.8 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 323 | S | 38 | Very low | 35.8 | Very low | 90 Ų | 90 | 130.9 Ų | 130.9 | 63% | 0.629 | 77% | 0.77 | S | S | * | * | 91.7 | 141.9 | 67.4 | -72 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 324 | H | 40.7 | Very low | 35.6 | Very low | 163 Ų | 163 | 127.3 Ų | 127.3 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | cis | -153.5 | 130.4 | 11.4 | -88.5 | -59.2 | 0 | 0 | 0 | 106.7 | ||||
| 325 | S | 33.5 | Very low | 35.5 | Very low | 100 Ų | 100 | 121.7 Ų | 121.7 | 70% | 0.699 | 76% | 0.76 | S | S | * | * | 66.5 | 120.1 | 97.5 | -56.4 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 326 | T | 32.8 | Very low | 34.6 | Very low | 140 Ų | 140 | 119.9 Ų | 119.9 | 86% | 0.859 | 76% | 0.755 | S | S | * | * | -177.6 | 135.4 | 106.8 | 30.9 | 0 | 0 | 0 | 0 | 112 | |||||
| 327 | A | 33.4 | Very low | 34.4 | Very low | 95 Ų | 95 | 126 Ų | 126 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | trans | 46.9 | 142.2 | 145.9 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 328 | S | 33 | Very low | 33.9 | Very low | 97 Ų | 97 | 124.7 Ų | 124.7 | 68% | 0.678 | 77% | 0.766 | S | S | * | * | cis | 178.8 | 147.6 | 3.9 | 50.7 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 329 | R | 34.1 | Very low | 33.7 | Very low | 244 Ų | 244 | 129.7 Ų | 129.7 | 92% | 0.921 | 78% | 0.776 | S | S | * | * | trans | 58.9 | 145.1 | 149.2 | -69.4 | 177.4 | 163.6 | -175.6 | -5.6 | 116.9 | ||||
| 330 | S | 34 | Very low | 33.3 | Very low | 112 Ų | 112 | 135.1 Ų | 135.1 | 78% | 0.783 | 79% | 0.786 | S | S | * | * | cis | -174.9 | 157.9 | 17.7 | 28.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 331 | N | 31.7 | Very low | 33.2 | Very low | 159 Ų | 159 | 141 Ų | 141 | 85% | 0.85 | 80% | 0.795 | S | S | * | * | trans | -14.7 | 145.2 | 162.5 | -77.4 | -6.8 | 0 | 0 | 0 | 121.4 | ||||
| 332 | S | 31.8 | Very low | 33 | Very low | 104 Ų | 104 | 146.7 Ų | 146.7 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | 125.5 | 115.9 | 119.7 | -165.2 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 333 | L | 36.4 | Very low | 32.6 | Very low | 158 Ų | 158 | 144.7 Ų | 144.7 | 83% | 0.827 | 81% | 0.805 | S | S | * | * | trans | 7.3 | 128 | 136.5 | -57.1 | 169.2 | 0 | 0 | 0 | 117.8 | ||||
| 334 | V | 30 | Very low | 32.3 | Very low | 137 Ų | 137 | 150.7 Ų | 150.7 | 83% | 0.83 | 82% | 0.82 | S | S | * | * | 162.9 | 116.6 | 116.1 | 173.9 | 0 | 0 | 0 | 0 | 106.4 | |||||
| 335 | S | 29.7 | Very low | 31.8 | Very low | 105 Ų | 105 | 153.8 Ų | 153.8 | 73% | 0.734 | 83% | 0.827 | S | S | * | * | trans | -115 | 101.6 | 169.6 | -156.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 336 | A | 31.2 | Very low | 31.6 | Very low | 83 Ų | 83 | 156.8 Ų | 156.8 | 69% | 0.686 | 83% | 0.83 | S | S | * | * | trans | -90.7 | 122.8 | 164.7 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 337 | F | 29.5 | Very low | 31.5 | Very low | 201 Ų | 201 | 155.9 Ų | 155.9 | 88% | 0.882 | 83% | 0.829 | S | S | * | * | trans | -84.1 | 116.6 | 173.1 | -85.5 | -85.8 | 0 | 0 | 0 | 109.9 | ||||
| 338 | T | 29.2 | Very low | 31.5 | Very low | 125 Ų | 125 | 158.1 Ų | 158.1 | 77% | 0.767 | 83% | 0.827 | S | S | * | * | trans | -112.5 | 129.7 | 163.2 | 47.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 339 | M | 32.2 | Very low | 31.6 | Very low | 197 Ų | 197 | 158.5 Ų | 158.5 | 97% | 0.97 | 84% | 0.836 | S | S | * | * | trans | 1.3 | 120 | 154.8 | -94.4 | 165.9 | 142.4 | 0 | 0 | 118.1 | ||||
| 340 | E | 29.5 | Very low | 31.6 | Very low | 203 Ų | 203 | 156.1 Ų | 156.1 | 95% | 0.949 | 83% | 0.833 | S | S | * | * | trans | -103.4 | 125.7 | 157.4 | -82.4 | -167 | 133.3 | 0 | 0 | 111.4 | ||||
| 341 | K | 33.4 | Very low | 31.6 | Very low | 212 Ų | 212 | 158 Ų | 158 | 92% | 0.922 | 84% | 0.839 | S | S | * | * | trans | -105.2 | 109.7 | 172.9 | -161.8 | -176.1 | -169.8 | -177.4 | 0 | 105.9 | G343 | K341-G343 PolarHBondContact O-N 3.47Š| ||
| 342 | R | 30.8 | Very low | 31.8 | Very low | 242 Ų | 242 | 159.8 Ų | 159.8 | 91% | 0.913 | 84% | 0.839 | S | S | * | * | trans | -87.2 | 111.6 | -177.2 | -153.6 | 171.9 | -167.4 | 167.9 | 3.7 | 110.4 | ||||
| 343 | G | 29 | Very low | 31.9 | Very low | 72 Ų | 72 | 161.1 Ų | 161.1 | 74% | 0.742 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 145 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112 | K341 | K341-G343 PolarHBondContact O-N 3.47Š|
| 344 | F | 32 | Very low | 31.5 | Very low | 216 Ų | 216 | 156.8 Ų | 156.8 | 95% | 0.947 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 135.3 | 171.2 | -87.4 | -98.7 | 0 | 0 | 0 | 110 | ||
| 345 | Y | 30.3 | Very low | 31.7 | Very low | 227 Ų | 227 | 157.4 Ų | 157.4 | 89% | 0.89 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -88.8 | 127.5 | 174.6 | -160.3 | -96.9 | 0 | 0 | 0 | 109.7 | ||
| 346 | E | 30.2 | Very low | 32.1 | Very low | 164 Ų | 164 | 161.9 Ų | 161.9 | 77% | 0.766 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 132.8 | 173.9 | -171.6 | 175.4 | 172.2 | 0 | 0 | 109.5 | ||
| 347 | S | 31 | Very low | 32.2 | Very low | 121 Ų | 121 | 167.1 Ų | 167.1 | 85% | 0.846 | 85% | 0.852 | S | S | * | * | trans | -124.1 | 123.7 | 169.8 | -160.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 348 | L | 32.6 | Very low | 32.4 | Very low | 142 Ų | 142 | 163.9 Ų | 163.9 | 74% | 0.743 | 85% | 0.848 | S | S | * | * | trans | -102.6 | 117.2 | -167.5 | -163.2 | 138.2 | 0 | 0 | 0 | 108.4 | ||||
| 349 | A | 36 | Very low | 32.4 | Very low | 105 Ų | 105 | 166.4 Ų | 166.4 | 87% | 0.868 | 85% | 0.851 | S | S | * | * | trans | -133.6 | 119.5 | 166.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 350 | K | 33.7 | Very low | 32.4 | Very low | 193 Ų | 193 | 162.5 Ų | 162.5 | 84% | 0.839 | 84% | 0.839 | S | S | * | * | trans | -123.7 | 112.7 | -175.7 | -166.8 | 172.5 | -172.3 | 173.6 | 0 | 108 | ||||
| 351 | V | 33.6 | Very low | 32.6 | Very low | 153 Ų | 153 | 159.1 Ų | 159.1 | 93% | 0.927 | 83% | 0.831 | S | S | * | * | trans | -140.7 | 148 | 162.5 | -177.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 352 | K | 35.3 | Very low | 32.9 | Very low | 195 Ų | 195 | 153.8 Ų | 153.8 | 85% | 0.848 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 166 | -150 | -81.4 | 176.5 | 176.2 | 177.8 | 0 | 118.7 | ||
| 353 | P | 34.7 | Very low | 33.4 | Very low | 132 Ų | 132 | 148.3 Ų | 148.3 | 86% | 0.857 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 136.1 | -171.9 | 34 | -32.4 | 0 | 0 | 0 | 113.1 | ||
| 354 | G | 28.7 | Very low | 33.6 | Very low | 67 Ų | 67 | 157 Ų | 157 | 69% | 0.691 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -101.8 | 129.6 | 174 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 355 | N | 34 | Very low | 34 | Very low | 150 Ų | 150 | 155.6 Ų | 155.6 | 80% | 0.802 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 119.2 | -171.7 | -151.5 | 16.1 | 0 | 0 | 0 | 112 | ||
| 356 | F | 36.6 | Very low | 35.1 | Very low | 199 Ų | 199 | 150.2 Ų | 150.2 | 87% | 0.873 | 82% | 0.816 | S | S | * | * | trans | -113.4 | 112.3 | 166 | -87.5 | -84.9 | 0 | 0 | 0 | 110 | ||||
| 357 | K | 33.4 | Very low | 35 | Very low | 194 Ų | 194 | 146.8 Ų | 146.8 | 84% | 0.843 | 82% | 0.816 | S | S | * | * | trans | -71.5 | 127.8 | 173 | -76.2 | -176.6 | 173.8 | -177.9 | 0 | 109.8 | ||||
| 358 | V | 34.3 | Very low | 35.1 | Very low | 132 Ų | 132 | 145.9 Ų | 145.9 | 80% | 0.8 | 81% | 0.809 | S | S | * | * | trans | -66.6 | 126.8 | 166.4 | 174.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 359 | Q | 30.2 | Very low | 35.1 | Very low | 178 Ų | 178 | 148.4 Ų | 148.4 | 83% | 0.832 | 82% | 0.815 | S | S | * | * | trans | -112.7 | 104.6 | 165.6 | -166.5 | 166.4 | 24.9 | 0 | 0 | 109.3 | ||||
| 360 | T | 30.9 | Very low | 34.8 | Very low | 116 Ų | 116 | 150.3 Ų | 150.3 | 71% | 0.712 | 82% | 0.815 | S | S | * | * | trans | -72 | 128.2 | 170 | -57.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 361 | V | 34.1 | Very low | 34.7 | Very low | 131 Ų | 131 | 147.8 Ų | 147.8 | 79% | 0.794 | 82% | 0.816 | S | S | * | * | trans | -126.7 | 124.6 | 165.2 | -174.8 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 362 | S | 39 | Very low | 34.6 | Very low | 101 Ų | 101 | 147.9 Ų | 147.9 | 71% | 0.706 | 81% | 0.806 | S | S | * | * | trans | -71.8 | 157.9 | -176.9 | -73.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 363 | P | 40.9 | Very low | 34.4 | Very low | 127 Ų | 127 | 146.6 Ų | 146.6 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | trans | -79.8 | 148.9 | -177.2 | 33.4 | -33.8 | 0 | 0 | 0 | 112 | ||||
| 364 | R | 34.5 | Very low | 34.1 | Very low | 253 Ų | 253 | 144.7 Ų | 144.7 | 96% | 0.955 | 80% | 0.798 | S | S | * | * | trans | -123.4 | 122.3 | 167.9 | -121.3 | -179.2 | -179 | 168.5 | 0.2 | 109.2 | ||||
| 365 | E | 39.2 | Very low | 34.2 | Very low | 188 Ų | 188 | 148.8 Ų | 148.8 | 88% | 0.879 | 80% | 0.804 | S | S | * | * | trans | -87.8 | 169.4 | 172.5 | -100.2 | -160 | 141 | 0 | 0 | 112.2 | ||||
| 366 | P | 53.7 | Low | 34.2 | Very low | 114 Ų | 114 | 148.9 Ų | 148.9 | 74% | 0.74 | 80% | 0.803 | S | S | * | * | trans | -104.6 | 168 | -147.9 | 40.1 | -34.6 | 0 | 0 | 0 | 114.4 | ||||
| 367 | A | 29.7 | Very low | 34.1 | Very low | 91 Ų | 91 | 148.7 Ų | 148.7 | 75% | 0.752 | 80% | 0.802 | S | S | * | * | 162.5 | 133.8 | 129 | 0 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 368 | S | 33 | Very low | 34.5 | Very low | 102 Ų | 102 | 144.6 Ų | 144.6 | 71% | 0.713 | 80% | 0.796 | S | S | * | * | 136.1 | 112.6 | 122.8 | -63.5 | 0 | 0 | 0 | 0 | 116 | |||||
| 369 | K | 32.1 | Very low | 34.4 | Very low | 196 Ų | 196 | 147.1 Ų | 147.1 | 85% | 0.852 | 80% | 0.798 | S | S | * | * | 54.7 | 115.7 | 129.2 | -58.1 | -175.8 | 179.4 | -173.8 | 0 | 119.4 | |||||
| 370 | V | 29.6 | Very low | 34.4 | Very low | 144 Ų | 144 | 142.7 Ų | 142.7 | 87% | 0.873 | 79% | 0.787 | S | S | * | * | -151.1 | 109.6 | 121.5 | -178.9 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 371 | T | 30.6 | Very low | 34.5 | Very low | 140 Ų | 140 | 145.6 Ų | 145.6 | 86% | 0.859 | 79% | 0.79 | S | S | * | * | trans | -144.3 | 113.6 | 157.2 | -51.4 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 372 | E | 32.3 | Very low | 34.4 | Very low | 156 Ų | 156 | 146.4 Ų | 146.4 | 73% | 0.729 | 79% | 0.79 | S | S | * | * | trans | -167.1 | 129.6 | 142.6 | -107.5 | -162.8 | 125.5 | 0 | 0 | 112.3 | ||||
| 373 | Q | 30.3 | Very low | 33.9 | Very low | 168 Ų | 168 | 145 Ų | 145 | 79% | 0.785 | 79% | 0.791 | S | S | * | * | trans | 66.1 | 115.5 | 142.7 | -59.3 | -169.7 | 9.3 | 0 | 0 | 122.4 | ||||
| 374 | A | 30 | Very low | 34.7 | Very low | 91 Ų | 91 | 144.9 Ų | 144.9 | 75% | 0.752 | 79% | 0.791 | S | S | * | * | -171.8 | 114.9 | 111.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 375 | L | 30.4 | Very low | 34.5 | Very low | 153 Ų | 153 | 141.9 Ų | 141.9 | 80% | 0.801 | 79% | 0.788 | S | S | * | * | 62.1 | 115.1 | 99.2 | -128.8 | 81.7 | 0 | 0 | 0 | 111.5 | |||||
| 376 | L | 32.6 | Very low | 34.4 | Very low | 152 Ų | 152 | 141.6 Ų | 141.6 | 80% | 0.796 | 79% | 0.786 | S | S | * | * | -171 | 142.9 | 56.5 | -82 | 156.9 | 0 | 0 | 0 | 110.5 | |||||
| 377 | K | 35.4 | Very low | 33.5 | Very low | 196 Ų | 196 | 146 Ų | 146 | 85% | 0.852 | 79% | 0.794 | S | S | * | * | trans | -91 | 154.3 | 147 | -109.5 | -179.1 | -177.1 | 178.7 | 0 | 106.8 | ||||
| 378 | P | 42.5 | Very low | 33.6 | Very low | 108 Ų | 108 | 148.1 Ų | 148.1 | 70% | 0.701 | 79% | 0.792 | S | S | * | * | -147.3 | 148.4 | 88.8 | 39.4 | -21.4 | 0 | 0 | 0 | 114.4 | |||||
| 379 | Q | 30.7 | Very low | 33.6 | Very low | 184 Ų | 184 | 149.2 Ų | 149.2 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | 64.2 | 140.3 | 118.2 | -73.7 | -167.7 | -6.3 | 0 | 0 | 115.5 | |||||
| 380 | S | 30.3 | Very low | 33.6 | Very low | 85 Ų | 85 | 146 Ų | 146 | 59% | 0.594 | 79% | 0.791 | S | S | * | * | cis | 171.4 | 160.5 | 13.7 | 152.1 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 381 | K | 34.1 | Very low | 33.8 | Very low | 177 Ų | 177 | 146 Ų | 146 | 77% | 0.77 | 79% | 0.785 | S | S | * | * | trans | 93.6 | 125.2 | 146.4 | -88.9 | 160.5 | -168 | -170.9 | 0 | 121.9 | ||||
| 382 | N | 32.1 | Very low | 34.2 | Very low | 148 Ų | 148 | 146.5 Ų | 146.5 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | trans | 89.2 | 112.2 | 139.9 | -57.5 | -14.6 | 0 | 0 | 0 | 119.5 | ||||
| 383 | G | 28.3 | Very low | 34.4 | Very low | 71 Ų | 71 | 145.4 Ų | 145.4 | 73% | 0.732 | 79% | 0.787 | S | S | * | * | trans | -89.7 | -155.1 | 146.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 384 | P | 56.8 | Low | 35.1 | Very low | 126 Ų | 126 | 145.4 Ų | 145.4 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | cis | -123.4 | 167.9 | -26.6 | 38.1 | -23.9 | 0 | 0 | 0 | 111.6 | ||||
| 385 | Q | 31.6 | Very low | 35.4 | Very low | 190 Ų | 190 | 148.2 Ų | 148.2 | 89% | 0.888 | 79% | 0.794 | S | S | * | * | trans | -165.9 | 130.6 | 148 | -125.2 | 175.7 | -4.5 | 0 | 0 | 114.2 | ||||
| 386 | E | 36.5 | Very low | 35.8 | Very low | 182 Ų | 182 | 148.3 Ų | 148.3 | 85% | 0.85 | 80% | 0.795 | S | S | * | * | trans | -57.1 | 149.5 | 161.8 | -63.3 | 167 | 126.9 | 0 | 0 | 111.7 | ||||
| 387 | K | 33.8 | Very low | 36.1 | Very low | 206 Ų | 206 | 144.5 Ų | 144.5 | 90% | 0.896 | 79% | 0.786 | S | S | * | * | trans | -146.3 | 114.2 | 147.4 | -97.3 | -174.1 | -176.9 | 179.8 | 0 | 110.6 | ||||
| 388 | D | 32.8 | Very low | 36.3 | Very low | 135 Ų | 135 | 140.7 Ų | 140.7 | 72% | 0.722 | 78% | 0.783 | S | S | * | * | trans | -65.3 | 153.2 | 157.4 | -161.4 | 4 | 0 | 0 | 0 | 111.1 | ||||
| 389 | C | 32 | Very low | 36.5 | Very low | 126 Ų | 126 | 143.1 Ų | 143.1 | 85% | 0.851 | 79% | 0.79 | S | S | * | * | trans | 177 | 82.3 | 158.6 | -102.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 390 | D | 32.3 | Very low | 37.5 | Very low | 129 Ų | 129 | 140.4 Ų | 140.4 | 69% | 0.69 | 79% | 0.788 | S | S | * | * | 35.2 | 135.7 | 119.1 | -85.1 | -34.5 | 0 | 0 | 0 | 123.3 | |||||
| 391 | L | 33.6 | Very low | 38.4 | Very low | 144 Ų | 144 | 142.3 Ų | 142.3 | 75% | 0.754 | 80% | 0.796 | S | S | * | * | trans | 65.2 | 115.5 | 139.6 | -112.5 | 83.5 | 0 | 0 | 0 | 120.8 | ||||
| 392 | V | 39.7 | Very low | 39.1 | Very low | 150 Ų | 150 | 138.5 Ų | 138.5 | 91% | 0.909 | 79% | 0.791 | S | S | * | * | -149.2 | 119.1 | 117.2 | -91.1 | 0 | 0 | 0 | 0 | 110 | |||||
| 393 | D | 37 | Very low | 39.8 | Very low | 133 Ų | 133 | 138.8 Ų | 138.8 | 71% | 0.711 | 79% | 0.793 | S | S | * | * | trans | -89.3 | 131.9 | 172 | -161.5 | 5.4 | 0 | 0 | 0 | 107.9 | ||||
| 394 | L | 43.8 | Very low | 40.7 | Very low | 168 Ų | 168 | 145.8 Ų | 145.8 | 88% | 0.88 | 82% | 0.821 | S | S | * | * | trans | -150.9 | 87.3 | 165.9 | -79.4 | -178.5 | 0 | 0 | 0 | 109.1 | ||||
| 395 | D | 37.7 | Very low | 39.9 | Very low | 150 Ų | 150 | 146.8 Ų | 146.8 | 80% | 0.802 | 82% | 0.821 | S | S | * | * | trans | -59.5 | 133.7 | 139.2 | -95 | -40.1 | 0 | 0 | 0 | 108.7 | ||||
| 396 | D | 37.6 | Very low | 40.3 | Very low | 155 Ų | 155 | 144.5 Ų | 144.5 | 83% | 0.829 | 82% | 0.818 | S | S | * | * | -179.3 | 123.8 | 119.3 | -161.2 | 39.2 | 0 | 0 | 0 | 112.5 | |||||
| 397 | A | 39.8 | Very low | 40.5 | Very low | 72 Ų | 72 | 142.4 Ų | 142.4 | 60% | 0.595 | 82% | 0.816 | S | S | * | * | trans | 36.6 | 139.3 | 143.1 | 0 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 398 | S | 38.8 | Very low | 40.9 | Very low | 115 Ų | 115 | 138.7 Ų | 138.7 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | trans | 114.7 | 106.2 | 132.5 | -53.6 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 399 | L | 46.8 | Very low | 41.5 | Very low | 160 Ų | 160 | 138.9 Ų | 138.9 | 84% | 0.838 | 82% | 0.817 | S | S | * | * | trans | -57.2 | 159.8 | 152.1 | -63.5 | 166.8 | 0 | 0 | 0 | 110.5 | ||||
| 400 | P | 53.1 | Low | 42.1 | Very low | 126 Ų | 126 | 139.8 Ų | 139.8 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | -140.5 | 161.3 | 93.5 | 34.1 | -17.9 | 0 | 0 | 0 | 115.7 | |||||
| 401 | V | 48.8 | Very low | 42.8 | Very low | 125 Ų | 125 | 140.6 Ų | 140.6 | 76% | 0.758 | 82% | 0.823 | S | S | * | * | trans | -66.4 | 140.2 | 166.9 | 177.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 402 | S | 48.8 | Very low | 43.5 | Very low | 97 Ų | 97 | 140.3 Ų | 140.3 | 68% | 0.678 | 83% | 0.829 | S | S | * | * | 153.8 | 126.7 | 125 | 60.5 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 403 | D | 47.1 | Very low | 43.8 | Very low | 154 Ų | 154 | 139.5 Ų | 139.5 | 82% | 0.824 | 82% | 0.822 | S | S | * | * | trans | 44.5 | 120.1 | 140.5 | -57.4 | -43.3 | 0 | 0 | 0 | 121.7 | ||||
| 404 | V | 46.3 | Very low | 44.4 | Very low | 219 Ų | 219 | 140.1 Ų | 140.1 | 100% | 1.327 | 83% | 0.832 | S | S | * | * | -164 | 0 | 106.2 | 156.5 | 0 | 0 | 0 | 0 | 109.2 |
Retrieved 404 of 404 residues in 105.3 ms
(Link to these results)