| 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 | 87.1 | Confident | 95.2 | Very high | 102 Ų | 102 | 45.5 Ų | 45.5 | 50% | 0.502 | 22% | 0.219 | S | C | . | . | 0 | 127.5 | 0 | -171.4 | 145.3 | 104.3 | 0 | 0 | 107.7 | K86 V87 K88 Q99 | M1-K86 VanDerWaalsContact CG-O 3.24Å; M1-K86 WeakPolarHBondContact CG-O 3.4Å; M1-V87 PolarHBondContact SD-N 3.45Å; M1-V87 VanDerWaalsContact SD-N 3.45Å; M1-K88 HydrophobicContact CE-CB 4.33Å; M1-K88 HydrophobicContact CE-CD 4.21Å; M1-K88 HydrophobicContact CE-CG 3.23Å; M1-K88 HydrophobicContact CG-CG 4.2Å; M1-Q99 HydrophobicContact CE-CG 3.93Å | |||
| 2 | L | 94.5 | Very high | 95.4 | Very high | 10 Ų | 10 | 41.7 Ų | 41.7 | 5% | 0.052 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 147.1 | 176.3 | -62.1 | 178.9 | 0 | 0 | 0 | 110.3 | L4 W17 I38 I39 D63 V87 K88 | L2-L4 HydrophobicContact CB-CD1 4.11Å; L2-L4 HydrophobicContact CB-CD2 4.08Å; L2-L4 HydrophobicContact CB-CG 3.93Å; L2-L4 HydrophobicContact CD1-CD1 4.26Å; L2-W17 HydrophobicContact CD1-CH2 4.09Å; L2-W17 HydrophobicContact CD1-CZ2 4.1Å; L2-W17 HydrophobicContact CD2-CZ2 4.15Å; L2-I38 HydrophobicContact CD2-CG2 3.56Å; L2-I39 HydrophobicContact CD1-CG1 4.29Å; L2-I39 HydrophobicContact CD2-CG1 4.41Å; L2-D63 HydrophobicContact CD1-CB 3.81Å; L2-D63 VanDerWaalsContact CD1-CG 3.4Å; L2-D63 WeakPolarHBondContact CD1-OD1 3.37Å; L2-D63 HydrophobicContact CG-CB 4.5Å; L2-D63 WeakPolarHBondContact CG-OD1 3.24Å; L2-V87 HydrophobicContact CB-CG2 4.28Å; L2-K88 PolarHBondContact O-N 3.23Å |
| 3 | D | 96.6 | Very high | 95.5 | Very high | 59 Ų | 59 | 38.8 Ų | 38.8 | 32% | 0.316 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 108.4 | 173.6 | -170.5 | 26 | 0 | 0 | 0 | 107.8 | K88 K90 H95 | D3-K88 HydrophobicContact CB-CB 4.3Å; D3-K88 WeakPolarHBondContact OD1-CB 3.26Å; D3-K90 VanDerWaalsContact OD1-CE 3.23Å; D3-K90 WeakPolarHBondContact OD1-CE 3.48Å; D3-K90 IonicContact OD1-NZ 3.93Å; D3-K90 VanDerWaalsContact OD2-CE 3.26Å; D3-K90 WeakPolarHBondContact OD2-CE 3.44Å; D3-K90 IonicContact OD2-NZ 3.93Å; D3-K90 PolarHBondContact OD2-NZ 2.72Å; D3-H95 IonicContact OD1-CD2 3.51Å; D3-H95 IonicContact OD1-CE1 2.94Å; D3-H95 IonicContact OD1-NE2 3.95Å; D3-H95 PolarHBondContact OD1-NE2 2.88Å; D3-H95 IonicContact OD2-NE2 3.79Å |
| 4 | L | 97.6 | Very high | 95.5 | Very high | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 138.3 | -164.7 | -53.4 | 178.3 | 0 | 0 | 0 | 111.5 | L2 L12 G13 N14 W17 I65 V87 K88 L89 K90 | L2-L4 HydrophobicContact CB-CD1 4.11Å; L2-L4 HydrophobicContact CB-CD2 4.08Å; L2-L4 HydrophobicContact CB-CG 3.93Å; L2-L4 HydrophobicContact CD1-CD1 4.26Å; L4-L12 HydrophobicContact CB-CD1 3.84Å; L4-L12 HydrophobicContact CB-CG 4.29Å; L4-L12 HydrophobicContact CD1-CD1 4.2Å; L4-L12 HydrophobicContact CD1-CD2 3.98Å; L4-L12 HydrophobicContact CD1-CG 3.93Å; L4-G13 CarbonylContact C-O 3.55Å; L4-G13 VanDerWaalsContact CA-O 3.24Å; L4-G13 WeakPolarHBondContact CA-O 3.38Å; L4-N14 HydrophobicContact CD2-CB 4.43Å; L4-W17 HydrophobicContact CD1-CH2 4.1Å; L4-W17 HydrophobicContact CD2-CH2 3.32Å; L4-W17 HydrophobicContact CD2-CZ2 3.67Å; L4-W17 HydrophobicContact CD2-CZ3 4.05Å; L4-W17 HydrophobicContact CG-CH2 4.38Å; L4-I65 HydrophobicContact CD1-CD1 3.67Å; L4-V87 HydrophobicContact CD1-CG2 3.77Å; L4-V87 HydrophobicContact CG-CG2 4.1Å; L4-K88 PolarHBondContact N-O 2.79Å; L4-L89 HydrophobicContact CB-CD2 4.19Å; L4-L89 CarbonylContact O-C 3.59Å; L4-L89 WeakPolarHBondContact O-CA 3.25Å; L4-K90 PolarHBondContact O-N 3.44Å |
| 5 | E | 97.8 | Very high | 95.2 | Very high | 54 Ų | 54 | 50.7 Ų | 50.7 | 25% | 0.252 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 131 | 168.9 | -170.2 | 70 | -163 | 0 | 0 | 109.4 | V7 G13 K90 C92 G93 | E5-V7 HydrophobicContact CG-CG2 4.3Å; E5-G13 PolarHBondContact N-O 3.42Å; E5-G13 PolarHBondContact O-N 3.46Å; E5-G13 VanDerWaalsContact O-N 3.13Å; E5-K90 WeakPolarHBondContact OE2-CB 3.38Å; E5-C92 WeakPolarHBondContact OE1-CA 3.39Å; E5-C92 PolarHBondContact OE1-N 2.81Å; E5-G93 PolarHBondContact OE1-N 3.02Å; E5-G93 VanDerWaalsContact OE1-N 3.07Å; E5-G93 PolarHBondContact OE2-N 3.29Å |
| 6 | V | 97.6 | Very high | 95 | Very high | 1 Ų | 1 | 55.9 Ų | 55.9 | 1% | 0.006 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 125.3 | 173.2 | 175.9 | 0 | 0 | 0 | 0 | 108.2 | L12 L89 K90 Y91 F96 L134 M171 I173 | V6-L12 HydrophobicContact CG2-CD1 3.88Å; V6-L89 HydrophobicContact CG2-CB 4.16Å; V6-L89 HydrophobicContact CG2-CD2 4.12Å; V6-K90 WeakPolarHBondContact CB-O 3.47Å; V6-K90 PolarHBondContact N-O 2.81Å; V6-Y91 WeakPolarHBondContact O-CD2 3.46Å; V6-F96 HydrophobicContact CB-CE1 4.44Å; V6-F96 HydrophobicContact CG2-CE1 3.89Å; V6-F96 HydrophobicContact CG2-CZ 4.02Å; V6-L134 HydrophobicContact CG1-CD1 4.34Å; V6-M171 HydrophobicContact CB-CE 4.04Å; V6-M171 HydrophobicContact CG1-CE 3.29Å; V6-M171 HydrophobicContact CG2-CE 3.53Å; V6-I173 HydrophobicContact CG1-CD1 3.97Å; V6-I173 HydrophobicContact CG1-CG1 4.33Å |
| 7 | V | 96.3 | Very high | 95 | Very high | 48 Ų | 48 | 53.5 Ų | 53.5 | 29% | 0.291 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 104.2 | 171 | -168.4 | 0 | 0 | 0 | 0 | 108.6 | E5 R10 S11 | E5-V7 HydrophobicContact CG-CG2 4.3Å; V7-R10 HydrophobicContact CB-CB 4.11Å; V7-R10 HydrophobicContact CG1-CB 3.8Å; V7-R10 HydrophobicContact CG1-CG 4.45Å; V7-R10 PolarHBondContact O-N 2.88Å; V7-R10 VanDerWaalsContact O-N 3.07Å; V7-S11 WeakPolarHBondContact CB-OG 3.28Å; V7-S11 PolarHBondContact N-O 3.29Å; V7-S11 PolarHBondContact O-N 3.33Å |
| 8 | P | 94.4 | Very high | 95.1 | Very high | 33 Ų | 33 | 54.1 Ų | 54.1 | 21% | 0.214 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | 146.2 | 178.8 | -26.8 | 35.3 | 0 | 0 | 0 | 112.3 | R10 Y91 L134 | P8-R10 PolarHBondContact O-N 3.43Å; P8-Y91 HydrophobicContact CG-CD2 4.45Å; P8-Y91 HydrophobicContact CG-CE2 3.84Å; P8-L134 HydrophobicContact CB-CB 4.38Å; P8-L134 HydrophobicContact CG-CD2 4.38Å |
| 9 | E | 93.7 | Very high | 95.2 | Very high | 52 Ų | 52 | 51.2 Ų | 51.2 | 24% | 0.243 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.9 | -0.8 | -173.8 | -64.4 | -163.2 | 133.8 | 0 | 0 | 116.3 | R132 G133 Y174 G176 | E9-R132 HydrophobicContact CG-CG 4.16Å; E9-R132 WeakPolarHBondContact OE1-CG 3.44Å; E9-R132 IonicContact OE1-CZ 3.33Å; E9-R132 IonicContact OE1-NE 3.28Å; E9-R132 PolarHBondContact OE1-NE 2.85Å; E9-R132 IonicContact OE1-NH2 2.81Å; E9-R132 PolarHBondContact OE1-NH2 2.95Å; E9-R132 IonicContact OE2-CZ 2.66Å; E9-R132 IonicContact OE2-NE 3.39Å; E9-R132 PolarHBondContact OE2-NE 3.34Å; E9-R132 IonicContact OE2-NH2 2.89Å; E9-R132 PolarHBondContact OE2-NH2 3.48Å; E9-G133 VanDerWaalsContact CG-CA 3.47Å; E9-G133 PolarHBondContact N-O 3.16Å; E9-Y174 WeakPolarHBondContact CA-O 3.48Å; E9-G176 WeakPolarHBondContact OE1-CA 3.47Å; E9-G176 PolarHBondContact OE1-N 2.83Å |
| 10 | R | 94.6 | Very high | 95.3 | Very high | 140 Ų | 140 | 49.3 Ų | 49.3 | 53% | 0.528 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -129.2 | -59.8 | -169 | -169.7 | -178.7 | 170.1 | 179.5 | -7.3 | 114 | V7 P8 T20 L21 | V7-R10 HydrophobicContact CB-CB 4.11Å; V7-R10 HydrophobicContact CG1-CB 3.8Å; V7-R10 HydrophobicContact CG1-CG 4.45Å; V7-R10 PolarHBondContact O-N 2.88Å; V7-R10 VanDerWaalsContact O-N 3.07Å; P8-R10 PolarHBondContact O-N 3.43Å; R10-T20 HydrophobicContact CG-CG2 4.31Å; R10-T20 CarbonylContact O-C 3.44Å; R10-T20 WeakPolarHBondContact O-CA 3.49Å; R10-T20 WeakPolarHBondContact O-CG2 3.37Å; R10-L21 PolarHBondContact O-N 3.29Å |
| 11 | S | 97 | Very high | 95.4 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -169.4 | 166.6 | -161.1 | 50.9 | 0 | 0 | 0 | 0 | 115.9 | V7 E18 F19 | V7-S11 WeakPolarHBondContact CB-OG 3.28Å; V7-S11 PolarHBondContact N-O 3.29Å; V7-S11 PolarHBondContact O-N 3.33Å; S11-E18 VanDerWaalsContact CB-CG 3.48Å; S11-E18 WeakPolarHBondContact CB-OE1 3.42Å; S11-E18 PolarHBondContact OG-OE1 2.64Å; S11-F19 CarbonylContact C-O 3.54Å; S11-F19 WeakPolarHBondContact CA-O 3.25Å; S11-F19 WeakPolarHBondContact CB-O 3.36Å |
| 12 | L | 97.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 124.3 | 167.4 | -177.7 | 69.1 | 0 | 0 | 0 | 108.7 | L4 V6 F19 I65 I79 V81 L89 I173 | L4-L12 HydrophobicContact CB-CD1 3.84Å; L4-L12 HydrophobicContact CB-CG 4.29Å; L4-L12 HydrophobicContact CD1-CD1 4.2Å; L4-L12 HydrophobicContact CD1-CD2 3.98Å; L4-L12 HydrophobicContact CD1-CG 3.93Å; V6-L12 HydrophobicContact CG2-CD1 3.88Å; L12-F19 PolarHBondContact N-O 3.11Å; L12-F19 PolarHBondContact O-N 2.97Å; L12-I65 HydrophobicContact CD2-CD1 3.92Å; L12-I65 HydrophobicContact CD2-CG1 4.35Å; L12-I65 HydrophobicContact CD2-CG2 4.29Å; L12-I79 HydrophobicContact CB-CD1 3.87Å; L12-I79 HydrophobicContact CB-CG2 4.07Å; L12-I79 HydrophobicContact CD2-CG2 3.66Å; L12-V81 HydrophobicContact CD2-CG2 4.25Å; L12-L89 HydrophobicContact CD1-CD2 3.92Å; L12-I173 HydrophobicContact CB-CD1 3.91Å; L12-I173 HydrophobicContact CD1-CD1 4.21Å |
| 13 | G | 96.7 | Very high | 96 | Very high | 4 Ų | 4 | 42 Ų | 42 | 4% | 0.041 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -175 | -168.2 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | L4 E5 W17 | L4-G13 CarbonylContact C-O 3.55Å; L4-G13 VanDerWaalsContact CA-O 3.24Å; L4-G13 WeakPolarHBondContact CA-O 3.38Å; E5-G13 PolarHBondContact N-O 3.42Å; E5-G13 PolarHBondContact O-N 3.46Å; E5-G13 VanDerWaalsContact O-N 3.13Å; G13-W17 CarbonylContact C-O 3.49Å; G13-W17 WeakPolarHBondContact CA-O 3.23Å |
| 14 | N | 94.8 | Very high | 96 | Very high | 52 Ų | 52 | 39.3 Ų | 39.3 | 28% | 0.278 | 19% | 0.187 | S | C | . | . | trans | -141.8 | -170.9 | 170.1 | 59.7 | 43 | 0 | 0 | 0 | 109.1 | L4 Q16 W17 | L4-N14 HydrophobicContact CD2-CB 4.43Å; N14-Q16 PolarHBondContact O-N 3.22Å; N14-Q16 WeakPolarHBondContact OD1-CA 3.3Å; N14-Q16 WeakPolarHBondContact OD1-CB 3.35Å; N14-Q16 PolarHBondContact OD1-N 2.74Å; N14-W17 PolarHBondContact N-O 3.36Å; N14-W17 PolarHBondContact ND2-NE1 3.5Å; N14-W17 PolarHBondContact O-N 2.79Å; N14-W17 PolarHBondContact OD1-N 3.01Å; N14-W17 VanDerWaalsContact OD1-N 3.14Å | ||
| 15 | E | 91.5 | Very high | 96 | Very high | 205 Ų | 205 | 39.5 Ų | 39.5 | 96% | 0.958 | 19% | 0.188 | S | C | * | . | S | Bend | trans | -63 | -21.8 | -178.7 | -61.1 | 179.2 | 177.6 | 0 | 0 | 114.2 | ||
| 16 | Q | 92.8 | Very high | 95.8 | Very high | 134 Ų | 134 | 38.3 Ų | 38.3 | 63% | 0.626 | 19% | 0.188 | S | C | * | . | S | Bend | trans | -92.4 | -33.8 | -176.7 | -60.3 | -174.2 | -10.7 | 0 | 0 | 113 | N14 | N14-Q16 PolarHBondContact O-N 3.22Å; N14-Q16 WeakPolarHBondContact OD1-CA 3.3Å; N14-Q16 WeakPolarHBondContact OD1-CB 3.35Å; N14-Q16 PolarHBondContact OD1-N 2.74Å |
| 17 | W | 94.9 | Very high | 95.8 | Very high | 14 Ų | 14 | 39.8 Ų | 39.8 | 5% | 0.053 | 20% | 0.195 | C | C | . | . | trans | -157.1 | 153 | -176.8 | 56.7 | -97.5 | 0 | 0 | 0 | 111.2 | L2 L4 G13 N14 F19 I31 H35 I39 | L2-W17 HydrophobicContact CD1-CH2 4.09Å; L2-W17 HydrophobicContact CD1-CZ2 4.1Å; L2-W17 HydrophobicContact CD2-CZ2 4.15Å; L4-W17 HydrophobicContact CD1-CH2 4.1Å; L4-W17 HydrophobicContact CD2-CH2 3.32Å; L4-W17 HydrophobicContact CD2-CZ2 3.67Å; L4-W17 HydrophobicContact CD2-CZ3 4.05Å; L4-W17 HydrophobicContact CG-CH2 4.38Å; G13-W17 CarbonylContact C-O 3.49Å; G13-W17 WeakPolarHBondContact CA-O 3.23Å; N14-W17 PolarHBondContact N-O 3.36Å; N14-W17 PolarHBondContact ND2-NE1 3.5Å; N14-W17 PolarHBondContact O-N 2.79Å; N14-W17 PolarHBondContact OD1-N 3.01Å; N14-W17 VanDerWaalsContact OD1-N 3.14Å; W17-F19 HydrophobicContact CE3-CD2 4.06Å; W17-F19 AromaticContact CE3-CE2 3.81Å; W17-F19 HydrophobicContact CE3-CE2 3.81Å; W17-F19 HydrophobicContact CE3-CZ 4.27Å; W17-F19 HydrophobicContact CH2-CD2 4.46Å; W17-F19 AromaticContact CH2-CE2 3.96Å; W17-F19 HydrophobicContact CH2-CE2 3.96Å; W17-F19 AromaticContact CZ3-CD2 3.51Å; W17-F19 HydrophobicContact CZ3-CD2 3.51Å; W17-F19 AromaticContact CZ3-CE2 3.28Å; W17-F19 HydrophobicContact CZ3-CE2 3.28Å; W17-F19 HydrophobicContact CZ3-CZ 4.13Å; W17-I31 HydrophobicContact CB-CG2 3.73Å; W17-I31 HydrophobicContact CD2-CG2 4.26Å; W17-I31 HydrophobicContact CE3-CG2 4.34Å; W17-I31 HydrophobicContact CG-CG2 4.04Å; W17-H35 AromaticContact CD1-CD2 3.64Å; W17-H35 AromaticContact CD1-CE1 3.7Å; W17-H35 AromaticContact CD1-CG 3.74Å; W17-H35 AromaticContact CD1-ND1 3.77Å; W17-H35 AromaticContact CD1-NE2 3.66Å; W17-I39 HydrophobicContact CH2-CD1 4.14Å; W17-I39 HydrophobicContact CZ2-CD1 3.8Å; W17-I39 HydrophobicContact CZ2-CG1 4.45Å | ||
| 18 | E | 95.8 | Very high | 95.8 | Very high | 64 Ų | 64 | 37.5 Ų | 37.5 | 30% | 0.299 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 131.4 | -177.6 | -177.2 | 179.7 | -143 | 0 | 0 | 110.1 | S11 I31 | S11-E18 VanDerWaalsContact CB-CG 3.48Å; S11-E18 WeakPolarHBondContact CB-OE1 3.42Å; S11-E18 PolarHBondContact OG-OE1 2.64Å; E18-I31 WeakPolarHBondContact O-CD1 3.44Å |
| 19 | F | 97.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 110.3 | 166.7 | -62.5 | -60.3 | 0 | 0 | 0 | 108.5 | S11 L12 W17 M23 A28 I31 L32 L60 L67 L76 I79 | S11-F19 CarbonylContact C-O 3.54Å; S11-F19 WeakPolarHBondContact CA-O 3.25Å; S11-F19 WeakPolarHBondContact CB-O 3.36Å; L12-F19 PolarHBondContact N-O 3.11Å; L12-F19 PolarHBondContact O-N 2.97Å; W17-F19 HydrophobicContact CE3-CD2 4.06Å; W17-F19 AromaticContact CE3-CE2 3.81Å; W17-F19 HydrophobicContact CE3-CE2 3.81Å; W17-F19 HydrophobicContact CE3-CZ 4.27Å; W17-F19 HydrophobicContact CH2-CD2 4.46Å; W17-F19 AromaticContact CH2-CE2 3.96Å; W17-F19 HydrophobicContact CH2-CE2 3.96Å; W17-F19 AromaticContact CZ3-CD2 3.51Å; W17-F19 HydrophobicContact CZ3-CD2 3.51Å; W17-F19 AromaticContact CZ3-CE2 3.28Å; W17-F19 HydrophobicContact CZ3-CE2 3.28Å; W17-F19 HydrophobicContact CZ3-CZ 4.13Å; F19-M23 HydrophobicContact CB-SD 4.26Å; F19-M23 HydrophobicContact CD1-SD 3.97Å; F19-A28 HydrophobicContact CD1-CB 4.22Å; F19-A28 HydrophobicContact CE1-CB 4.21Å; F19-I31 HydrophobicContact CD1-CD1 4.33Å; F19-I31 HydrophobicContact CE1-CB 4.11Å; F19-I31 HydrophobicContact CE1-CD1 4.31Å; F19-I31 HydrophobicContact CE1-CG2 3.85Å; F19-I31 HydrophobicContact CZ-CG2 3.96Å; F19-L32 HydrophobicContact CE1-CD2 4.45Å; F19-L32 HydrophobicContact CE1-CG 4.34Å; F19-L32 HydrophobicContact CZ-CD2 3.75Å; F19-L32 HydrophobicContact CZ-CG 4.11Å; F19-L60 HydrophobicContact CE2-CD2 4.31Å; F19-L67 HydrophobicContact CB-CD2 4.22Å; F19-L67 HydrophobicContact CD1-CD1 3.71Å; F19-L67 HydrophobicContact CD2-CD1 4.09Å; F19-L67 HydrophobicContact CD2-CD2 4.17Å; F19-L67 HydrophobicContact CE1-CD1 3.77Å; F19-L67 HydrophobicContact CE2-CD1 4.13Å; F19-L67 HydrophobicContact CG-CD1 3.89Å; F19-L67 HydrophobicContact CG-CD2 4.13Å; F19-L67 HydrophobicContact CZ-CD1 4Å; F19-L76 HydrophobicContact CB-CD2 4.04Å; F19-I79 HydrophobicContact CB-CD1 4.16Å; F19-I79 WeakPolarHBondContact O-CD1 3.21Å |
| 20 | T | 97.4 | Very high | 96 | Very high | 12 Ų | 12 | 37 Ų | 37 | 7% | 0.074 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 134.1 | -178.1 | -51.1 | 0 | 0 | 0 | 0 | 110.3 | R10 G22 M23 L76 P188 | R10-T20 HydrophobicContact CG-CG2 4.31Å; R10-T20 CarbonylContact O-C 3.44Å; R10-T20 WeakPolarHBondContact O-CA 3.49Å; R10-T20 WeakPolarHBondContact O-CG2 3.37Å; T20-G22 PolarHBondContact O-N 2.87Å; T20-M23 PolarHBondContact N-SD 3.22Å; T20-M23 WeakPolarHBondContact O-CB 3.19Å; T20-M23 VanDerWaalsContact O-CG 3.27Å; T20-M23 WeakPolarHBondContact O-CG 3.48Å; T20-M23 PolarHBondContact O-N 2.81Å; T20-L76 WeakPolarHBondContact O-CD2 3.43Å; T20-P188 HydrophobicContact CG2-CB 4.4Å; T20-P188 HydrophobicContact CG2-CG 3.71Å |
| 21 | L | 97.6 | Very high | 96.1 | Very high | 5 Ų | 5 | 31.8 Ų | 31.8 | 3% | 0.026 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | 137.2 | 171.6 | -62.1 | -177 | 0 | 0 | 0 | 110.1 | R10 M23 L76 I79 I173 N175 P185 P188 | R10-L21 PolarHBondContact O-N 3.29Å; L21-M23 VanDerWaalsContact C-N 3.27Å; L21-M23 PolarHBondContact O-N 2.96Å; L21-L76 HydrophobicContact CD2-CG 4.19Å; L21-I79 HydrophobicContact CD2-CD1 4.19Å; L21-I79 HydrophobicContact CD2-CG1 4Å; L21-I173 HydrophobicContact CD1-CG2 4.36Å; L21-N175 HydrophobicContact CD1-CB 4.26Å; L21-P185 HydrophobicContact CB-CG 3.75Å; L21-P188 VanDerWaalsContact O-CG 3.25Å; L21-P188 WeakPolarHBondContact O-CG 3.06Å |
| 22 | G | 96.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.1 | -8.1 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | T20 R75 L76 | T20-G22 PolarHBondContact O-N 2.87Å; G22-R75 WeakPolarHBondContact O-CD 3.14Å; G22-R75 WeakPolarHBondContact O-CG 3.31Å; G22-L76 PolarHBondContact N-O 3.42Å |
| 23 | M | 96.8 | Very high | 96 | Very high | 4 Ų | 4 | 38.7 Ų | 38.7 | 2% | 0.02 | 20% | 0.2 | C | C | . | . | trans | -65 | 142.7 | 176.9 | 85.7 | -172 | -59.9 | 0 | 0 | 111.2 | F19 T20 L21 Q27 A28 I31 R75 L76 | F19-M23 HydrophobicContact CB-SD 4.26Å; F19-M23 HydrophobicContact CD1-SD 3.97Å; T20-M23 PolarHBondContact N-SD 3.22Å; T20-M23 WeakPolarHBondContact O-CB 3.19Å; T20-M23 VanDerWaalsContact O-CG 3.27Å; T20-M23 WeakPolarHBondContact O-CG 3.48Å; T20-M23 PolarHBondContact O-N 2.81Å; L21-M23 VanDerWaalsContact C-N 3.27Å; L21-M23 PolarHBondContact O-N 2.96Å; M23-Q27 HydrophobicContact CE-CB 3.75Å; M23-A28 HydrophobicContact CE-CB 4.3Å; M23-A28 HydrophobicContact CG-CB 4.5Å; M23-A28 HydrophobicContact SD-CB 4.04Å; M23-I31 HydrophobicContact CE-CD1 3.5Å; M23-I31 VanDerWaalsContact CE-CD1 3.5Å; M23-R75 CarbonylContact O-C 3.6Å; M23-R75 WeakPolarHBondContact O-CA 3.33Å; M23-L76 HydrophobicContact CG-CB 4.01Å; M23-L76 HydrophobicContact CG-CD2 4.24Å; M23-L76 PolarHBondContact O-N 3.32Å; M23-L76 HydrophobicContact SD-CD2 4.19Å | ||
| 24 | P | 96.4 | Very high | 95.9 | Very high | 3 Ų | 3 | 46.3 Ų | 46.3 | 2% | 0.019 | 23% | 0.233 | C | C | . | . | B | Isolated β-bridge | trans | -65.2 | 148.2 | 174 | -22.7 | 34.2 | 0 | 0 | 0 | 113.4 | A26 Q27 A28 M187 H323 | P24-A26 VanDerWaalsContact C-N 3.25Å; P24-A26 PolarHBondContact O-N 3.02Å; P24-Q27 HydrophobicContact CB-CG 4.46Å; P24-Q27 HydrophobicContact CG-CG 4.44Å; P24-Q27 PolarHBondContact O-N 3.29Å; P24-A28 PolarHBondContact O-N 3.12Å; P24-M187 HydrophobicContact CG-CG 4.41Å; P24-M187 HydrophobicContact CG-SD 3.57Å; P24-M187 VanDerWaalsContact CG-SD 3.57Å; P24-H323 WeakPolarHBondContact CB-CE1 3.2Å |
| 25 | L | 96.9 | Very high | 95.9 | Very high | 4 Ų | 4 | 45 Ų | 45 | 2% | 0.021 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -48.5 | -47.1 | 172.8 | 177.6 | 75.8 | 0 | 0 | 0 | 112.6 | Q27 A28 V29 L56 L58 F69 Q74 F319 | L25-Q27 PolarHBondContact O-N 3.1Å; L25-A28 PolarHBondContact O-N 2.64Å; L25-V29 HydrophobicContact CD1-CG2 4.24Å; L25-V29 HydrophobicContact CG-CG2 4.19Å; L25-V29 WeakPolarHBondContact O-CG2 3.32Å; L25-V29 PolarHBondContact O-N 3.14Å; L25-L56 HydrophobicContact CD1-CD2 3.64Å; L25-L56 HydrophobicContact CD1-CG 4.42Å; L25-L56 HydrophobicContact CD2-CD2 3.31Å; L25-L56 HydrophobicContact CG-CD2 4.02Å; L25-L58 HydrophobicContact CD1-CD1 3.84Å; L25-L58 HydrophobicContact CD1-CD2 4.11Å; L25-L58 HydrophobicContact CD1-CG 3.99Å; L25-F69 VanDerWaalsContact CA-CE1 3.46Å; L25-F69 HydrophobicContact CB-CD1 3.94Å; L25-F69 HydrophobicContact CB-CE1 4.13Å; L25-F69 HydrophobicContact CB-CG 4.45Å; L25-F69 HydrophobicContact CD1-CD1 4.14Å; L25-F69 HydrophobicContact CD1-CD2 3.8Å; L25-F69 HydrophobicContact CD1-CE1 4.22Å; L25-F69 HydrophobicContact CD1-CE2 3.86Å; L25-F69 HydrophobicContact CD1-CG 3.97Å; L25-F69 HydrophobicContact CD1-CZ 4.09Å; L25-Q74 PolarHBondContact N-O 3.18Å; L25-F319 HydrophobicContact CD2-CE1 4.26Å; L25-F319 HydrophobicContact CD2-CE2 4.1Å; L25-F319 HydrophobicContact CD2-CZ 3.53Å |
| 26 | A | 95.3 | Very high | 96 | Very high | 30 Ų | 30 | 38.9 Ų | 38.9 | 25% | 0.248 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -57.3 | -35.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | P24 A30 N320 | P24-A26 VanDerWaalsContact C-N 3.25Å; P24-A26 PolarHBondContact O-N 3.02Å; A26-A30 WeakPolarHBondContact O-CB 3.41Å; A26-A30 PolarHBondContact O-N 2.75Å; A26-N320 VanDerWaalsContact CA-OD1 3.26Å; A26-N320 WeakPolarHBondContact CA-OD1 3.38Å; A26-N320 PolarHBondContact N-OD1 3.19Å |
| 27 | Q | 96 | Very high | 96 | Very high | 31 Ų | 31 | 42.8 Ų | 42.8 | 15% | 0.145 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -73.1 | -41 | 177 | -65.2 | -173.8 | 11.2 | 0 | 0 | 111.8 | M23 P24 L25 V29 A30 I31 C191 Y197 | M23-Q27 HydrophobicContact CE-CB 3.75Å; P24-Q27 HydrophobicContact CB-CG 4.46Å; P24-Q27 HydrophobicContact CG-CG 4.44Å; P24-Q27 PolarHBondContact O-N 3.29Å; L25-Q27 PolarHBondContact O-N 3.1Å; Q27-V29 VanDerWaalsContact C-N 3.32Å; Q27-V29 PolarHBondContact O-N 2.8Å; Q27-A30 WeakPolarHBondContact O-CB 3.41Å; Q27-A30 PolarHBondContact O-N 2.84Å; Q27-I31 WeakPolarHBondContact O-CG1 3.08Å; Q27-I31 PolarHBondContact O-N 3.47Å; Q27-C191 PolarHBondContact NE2-O 2.85Å; Q27-C191 PolarHBondContact OE1-SG 3.39Å; Q27-C191 VanDerWaalsContact OE1-SG 3.35Å; Q27-Y197 PolarHBondContact NE2-OH 2.99Å |
| 28 | A | 97.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.2 | -43.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111 | F19 M23 P24 L25 A30 I31 L32 L58 F69 | F19-A28 HydrophobicContact CD1-CB 4.22Å; F19-A28 HydrophobicContact CE1-CB 4.21Å; M23-A28 HydrophobicContact CE-CB 4.3Å; M23-A28 HydrophobicContact CG-CB 4.5Å; M23-A28 HydrophobicContact SD-CB 4.04Å; P24-A28 PolarHBondContact O-N 3.12Å; L25-A28 PolarHBondContact O-N 2.64Å; A28-A30 VanDerWaalsContact C-N 3.33Å; A28-A30 PolarHBondContact O-N 3.35Å; A28-I31 PolarHBondContact O-N 2.95Å; A28-L32 VanDerWaalsContact O-CG 3.25Å; A28-L32 WeakPolarHBondContact O-CG 3.5Å; A28-L32 PolarHBondContact O-N 2.83Å; A28-L58 HydrophobicContact CB-CD1 4.13Å; A28-F69 HydrophobicContact CB-CE1 4.11Å; A28-F69 HydrophobicContact CB-CE2 4.48Å; A28-F69 HydrophobicContact CB-CZ 3.49Å; A28-F69 VanDerWaalsContact CB-CZ 3.49Å |
| 29 | V | 96.9 | Very high | 95.7 | Very high | 27 Ų | 27 | 43.4 Ų | 43.4 | 16% | 0.164 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.9 | -41.1 | 173.9 | 176.4 | 0 | 0 | 0 | 0 | 111.2 | L25 Q27 I31 L32 Q33 L58 N320 | L25-V29 HydrophobicContact CD1-CG2 4.24Å; L25-V29 HydrophobicContact CG-CG2 4.19Å; L25-V29 WeakPolarHBondContact O-CG2 3.32Å; L25-V29 PolarHBondContact O-N 3.14Å; Q27-V29 VanDerWaalsContact C-N 3.32Å; Q27-V29 PolarHBondContact O-N 2.8Å; V29-I31 PolarHBondContact O-N 2.97Å; V29-L32 PolarHBondContact O-N 2.99Å; V29-Q33 HydrophobicContact CG1-CG 4.21Å; V29-Q33 WeakPolarHBondContact O-CB 3.18Å; V29-Q33 VanDerWaalsContact O-CG 3.3Å; V29-Q33 WeakPolarHBondContact O-CG 3.24Å; V29-Q33 PolarHBondContact O-N 2.87Å; V29-L58 HydrophobicContact CG2-CD1 4.1Å; V29-N320 WeakPolarHBondContact CG1-ND2 3.26Å |
| 30 | A | 95.6 | Very high | 95.5 | Very high | 48 Ų | 48 | 48.5 Ų | 48.5 | 40% | 0.397 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -62.7 | -40 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | A26 Q27 A28 Q33 K34 | A26-A30 WeakPolarHBondContact O-CB 3.41Å; A26-A30 PolarHBondContact O-N 2.75Å; Q27-A30 WeakPolarHBondContact O-CB 3.41Å; Q27-A30 PolarHBondContact O-N 2.84Å; A28-A30 VanDerWaalsContact C-N 3.33Å; A28-A30 PolarHBondContact O-N 3.35Å; A30-Q33 PolarHBondContact O-N 3.32Å; A30-K34 WeakPolarHBondContact O-CB 3.13Å; A30-K34 PolarHBondContact O-N 3.1Å |
| 31 | I | 96.5 | Very high | 95.3 | Very high | 31 Ų | 31 | 52.7 Ų | 52.7 | 16% | 0.159 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.7 | -50.1 | 172.5 | -69.8 | 171.9 | 0 | 0 | 0 | 110 | W17 E18 F19 M23 Q27 A28 V29 Q33 K34 H35 | W17-I31 HydrophobicContact CB-CG2 3.73Å; W17-I31 HydrophobicContact CD2-CG2 4.26Å; W17-I31 HydrophobicContact CE3-CG2 4.34Å; W17-I31 HydrophobicContact CG-CG2 4.04Å; E18-I31 WeakPolarHBondContact O-CD1 3.44Å; F19-I31 HydrophobicContact CD1-CD1 4.33Å; F19-I31 HydrophobicContact CE1-CB 4.11Å; F19-I31 HydrophobicContact CE1-CD1 4.31Å; F19-I31 HydrophobicContact CE1-CG2 3.85Å; F19-I31 HydrophobicContact CZ-CG2 3.96Å; M23-I31 HydrophobicContact CE-CD1 3.5Å; M23-I31 VanDerWaalsContact CE-CD1 3.5Å; Q27-I31 WeakPolarHBondContact O-CG1 3.08Å; Q27-I31 PolarHBondContact O-N 3.47Å; A28-I31 PolarHBondContact O-N 2.95Å; V29-I31 PolarHBondContact O-N 2.97Å; I31-Q33 VanDerWaalsContact C-N 3.32Å; I31-Q33 PolarHBondContact O-N 2.89Å; I31-K34 PolarHBondContact O-N 3.28Å; I31-H35 PolarHBondContact O-CD2 3.19Å; I31-H35 VanDerWaalsContact O-CD2 3.27Å; I31-H35 PolarHBondContact O-N 3.11Å |
| 32 | L | 96.5 | Very high | 95.2 | Very high | 13 Ų | 13 | 55 Ų | 55 | 7% | 0.068 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.5 | -40.3 | -179.6 | -66 | 167.2 | 0 | 0 | 0 | 112 | F19 A28 V29 H35 C36 I39 V42 L58 L60 | F19-L32 HydrophobicContact CE1-CD2 4.45Å; F19-L32 HydrophobicContact CE1-CG 4.34Å; F19-L32 HydrophobicContact CZ-CD2 3.75Å; F19-L32 HydrophobicContact CZ-CG 4.11Å; A28-L32 VanDerWaalsContact O-CG 3.25Å; A28-L32 WeakPolarHBondContact O-CG 3.5Å; A28-L32 PolarHBondContact O-N 2.83Å; V29-L32 PolarHBondContact O-N 2.99Å; L32-H35 CarbonylContact O-C 3.53Å; L32-H35 PolarHBondContact O-N 2.9Å; L32-C36 WeakPolarHBondContact O-CA 3.42Å; L32-C36 PolarHBondContact O-N 3.49Å; L32-I39 HydrophobicContact CD2-CB 4.3Å; L32-I39 HydrophobicContact CD2-CD1 3.88Å; L32-I39 HydrophobicContact CD2-CG2 3.65Å; L32-V42 HydrophobicContact CD1-CG1 4.11Å; L32-V42 HydrophobicContact CD2-CG2 4.14Å; L32-L58 HydrophobicContact CD1-CD1 3.76Å; L32-L60 HydrophobicContact CD2-CD1 4.25Å; L32-L60 HydrophobicContact CD2-CD2 4.08Å; L32-L60 HydrophobicContact CD2-CG 4.21Å |
| 33 | Q | 95.1 | Very high | 95.2 | Very high | 131 Ų | 131 | 59.6 Ų | 59.6 | 61% | 0.612 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -65.4 | -43.7 | 175.9 | -75.3 | 176.6 | -19.2 | 0 | 0 | 112.1 | V29 A30 I31 H35 C36 | V29-Q33 HydrophobicContact CG1-CG 4.21Å; V29-Q33 WeakPolarHBondContact O-CB 3.18Å; V29-Q33 VanDerWaalsContact O-CG 3.3Å; V29-Q33 WeakPolarHBondContact O-CG 3.24Å; V29-Q33 PolarHBondContact O-N 2.87Å; A30-Q33 PolarHBondContact O-N 3.32Å; I31-Q33 VanDerWaalsContact C-N 3.32Å; I31-Q33 PolarHBondContact O-N 2.89Å; Q33-H35 VanDerWaalsContact C-N 3.28Å; Q33-H35 PolarHBondContact O-N 2.85Å; Q33-C36 WeakPolarHBondContact O-CB 3.47Å; Q33-C36 PolarHBondContact O-N 3.09Å; Q33-C36 PolarHBondContact O-SG 3.42Å; Q33-C36 VanDerWaalsContact O-SG 3.37Å |
| 34 | K | 95.9 | Very high | 95.1 | Very high | 165 Ų | 165 | 62.9 Ų | 62.9 | 72% | 0.717 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -64.1 | -34.3 | 177.6 | -173.7 | -179 | 177.9 | -171.5 | 0 | 112 | A30 I31 | A30-K34 WeakPolarHBondContact O-CB 3.13Å; A30-K34 PolarHBondContact O-N 3.1Å; I31-K34 PolarHBondContact O-N 3.28Å |
| 35 | H | 94.4 | Very high | 95.1 | Very high | 23 Ų | 23 | 66.2 Ų | 66.2 | 11% | 0.106 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.7 | 25.1 | -177.3 | -63.5 | -78.7 | 0 | 0 | 0 | 113.7 | W17 I31 L32 Q33 R37 I38 I39 | W17-H35 AromaticContact CD1-CD2 3.64Å; W17-H35 AromaticContact CD1-CE1 3.7Å; W17-H35 AromaticContact CD1-CG 3.74Å; W17-H35 AromaticContact CD1-ND1 3.77Å; W17-H35 AromaticContact CD1-NE2 3.66Å; I31-H35 PolarHBondContact O-CD2 3.19Å; I31-H35 VanDerWaalsContact O-CD2 3.27Å; I31-H35 PolarHBondContact O-N 3.11Å; L32-H35 CarbonylContact O-C 3.53Å; L32-H35 PolarHBondContact O-N 2.9Å; Q33-H35 VanDerWaalsContact C-N 3.28Å; Q33-H35 PolarHBondContact O-N 2.85Å; H35-R37 PolarHBondContact O-N 3.18Å; H35-I38 PolarHBondContact O-N 2.95Å; H35-I39 HydrophobicContact CB-CD1 4.4Å; H35-I39 PolarHBondContact O-N 3.39Å |
| 36 | C | 92.8 | Very high | 95 | Very high | 78 Ų | 78 | 69.9 Ų | 69.9 | 53% | 0.527 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -16.2 | -176.1 | 65.7 | 0 | 0 | 0 | 0 | 115.2 | L32 Q33 | L32-C36 WeakPolarHBondContact O-CA 3.42Å; L32-C36 PolarHBondContact O-N 3.49Å; Q33-C36 WeakPolarHBondContact O-CB 3.47Å; Q33-C36 PolarHBondContact O-N 3.09Å; Q33-C36 PolarHBondContact O-SG 3.42Å; Q33-C36 VanDerWaalsContact O-SG 3.37Å |
| 37 | R | 92.6 | Very high | 95 | Very high | 216 Ų | 216 | 69.7 Ų | 69.7 | 82% | 0.815 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -28.2 | 173.3 | -65.7 | -175.6 | -179.3 | -177.6 | 0.3 | 112.7 | H35 K40 | H35-R37 PolarHBondContact O-N 3.18Å; R37-K40 WeakPolarHBondContact O-CE 3.44Å |
| 38 | I | 92.9 | Very high | 94.7 | Very high | 86 Ų | 86 | 74.3 Ų | 74.3 | 44% | 0.441 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | -51.4 | -175.1 | -53.2 | 173.4 | 0 | 0 | 0 | 109.4 | L2 H35 | L2-I38 HydrophobicContact CD2-CG2 3.56Å; H35-I38 PolarHBondContact O-N 2.95Å |
| 39 | I | 93.5 | Very high | 94.3 | Very high | 5 Ų | 5 | 82.1 Ų | 82.1 | 3% | 0.026 | 41% | 0.405 | C | S | . | . | S | Bend | trans | -93.4 | 112.1 | 179.1 | -53.8 | 172.5 | 0 | 0 | 0 | 108.2 | L2 W17 L32 H35 V42 L60 | L2-I39 HydrophobicContact CD1-CG1 4.29Å; L2-I39 HydrophobicContact CD2-CG1 4.41Å; W17-I39 HydrophobicContact CH2-CD1 4.14Å; W17-I39 HydrophobicContact CZ2-CD1 3.8Å; W17-I39 HydrophobicContact CZ2-CG1 4.45Å; L32-I39 HydrophobicContact CD2-CB 4.3Å; L32-I39 HydrophobicContact CD2-CD1 3.88Å; L32-I39 HydrophobicContact CD2-CG2 3.65Å; H35-I39 HydrophobicContact CB-CD1 4.4Å; H35-I39 PolarHBondContact O-N 3.39Å; I39-V42 HydrophobicContact CG2-CG2 3.92Å; I39-L60 HydrophobicContact CG2-CD2 3.66Å; I39-L60 HydrophobicContact CG2-CG 3.82Å |
| 40 | K | 91.8 | Very high | 94.1 | Very high | 106 Ų | 106 | 83 Ų | 83 | 46% | 0.461 | 41% | 0.412 | S | S | . | . | trans | -122.1 | 163.5 | -174.9 | -61.4 | -179 | -175.5 | 178.9 | 0 | 111.4 | R37 V42 | R37-K40 WeakPolarHBondContact O-CE 3.44Å; K40-V42 PolarHBondContact O-N 3.33Å | ||
| 41 | N | 93.9 | Very high | 93.9 | Very high | 101 Ų | 101 | 81.2 Ų | 81.2 | 54% | 0.54 | 40% | 0.396 | S | S | . | . | trans | 53 | 50.1 | 178.3 | -60.7 | -16.7 | 0 | 0 | 0 | 113.2 | T61 Q62 | N41-T61 VanDerWaalsContact CB-OG1 3.29Å; N41-T61 WeakPolarHBondContact CB-OG1 3.45Å; N41-T61 PolarHBondContact O-N 2.87Å; N41-T61 PolarHBondContact O-OG1 3.2Å; N41-Q62 HydrophobicContact CB-CG 4.19Å; N41-Q62 PolarHBondContact ND2-NE2 3.36Å | ||
| 42 | V | 96.1 | Very high | 93.8 | Very high | 54 Ų | 54 | 81.3 Ų | 81.3 | 33% | 0.327 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 129.6 | 171.9 | -175.5 | 0 | 0 | 0 | 0 | 109 | L32 I39 K40 N59 L60 | L32-V42 HydrophobicContact CD1-CG1 4.11Å; L32-V42 HydrophobicContact CD2-CG2 4.14Å; I39-V42 HydrophobicContact CG2-CG2 3.92Å; K40-V42 PolarHBondContact O-N 3.33Å; V42-N59 WeakPolarHBondContact CA-O 3.23Å; V42-L60 HydrophobicContact CG1-CD1 4.46Å; V42-L60 HydrophobicContact CG2-CG 4.35Å |
| 43 | Q | 96.3 | Very high | 93.6 | Very high | 95 Ų | 95 | 84 Ų | 84 | 44% | 0.444 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 146.2 | 172.5 | -61.4 | 172.7 | -20.3 | 0 | 0 | 109.9 | L45 L58 N59 T61 | Q43-L45 HydrophobicContact CB-CD2 4.46Å; Q43-L58 WeakPolarHBondContact O-CA 3.39Å; Q43-N59 HydrophobicContact CB-CB 4.25Å; Q43-N59 PolarHBondContact N-O 2.76Å; Q43-N59 PolarHBondContact O-N 3.16Å; Q43-N59 PolarHBondContact OE1-ND2 2.82Å; Q43-T61 HydrophobicContact CG-CG2 4.05Å |
| 44 | V | 95.4 | Very high | 93.5 | Very high | 74 Ų | 74 | 83.6 Ų | 83.6 | 45% | 0.448 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 119.6 | 172 | -173.5 | 0 | 0 | 0 | 0 | 107.5 | Y46 L56 I57 L58 | V44-Y46 HydrophobicContact CG1-CD1 4.34Å; V44-L56 HydrophobicContact CG1-CD1 3.77Å; V44-I57 WeakPolarHBondContact CA-O 3.35Å; V44-L58 HydrophobicContact CB-CD2 4.38Å; V44-L58 HydrophobicContact CG1-CD2 4.19Å; V44-L58 HydrophobicContact CG2-CD2 3.76Å |
| 45 | L | 96.5 | Very high | 93.5 | Very high | 73 Ų | 73 | 77.4 Ų | 77.4 | 38% | 0.382 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 128.3 | 179.7 | -47.3 | 171.3 | 0 | 0 | 0 | 109.2 | Q43 I57 N59 | Q43-L45 HydrophobicContact CB-CD2 4.46Å; L45-I57 HydrophobicContact CB-CB 4.16Å; L45-I57 HydrophobicContact CD1-CB 4.47Å; L45-I57 HydrophobicContact CD1-CG2 4.46Å; L45-I57 PolarHBondContact N-O 2.78Å; L45-I57 PolarHBondContact O-N 2.86Å; L45-N59 HydrophobicContact CD1-CB 4.26Å |
| 46 | Y | 95 | Very high | 93.6 | Very high | 80 Ų | 80 | 76.8 Ų | 76.8 | 31% | 0.314 | 39% | 0.387 | S | S | . | . | trans | -152.3 | 160.1 | 176.9 | 64.4 | -82.9 | 0 | 0 | 0 | 110.4 | V44 E48 P314 | V44-Y46 HydrophobicContact CG1-CD1 4.34Å; Y46-E48 HydrophobicContact CE2-CB 4.31Å; Y46-P314 HydrophobicContact CD1-CB 4.05Å; Y46-P314 HydrophobicContact CD2-CB 3.54Å; Y46-P314 HydrophobicContact CD2-CG 3.57Å; Y46-P314 HydrophobicContact CE1-CB 4.31Å; Y46-P314 HydrophobicContact CE2-CB 3.81Å; Y46-P314 HydrophobicContact CE2-CG 4.2Å; Y46-P314 HydrophobicContact CG-CB 3.67Å; Y46-P314 HydrophobicContact CG-CG 3.88Å | ||
| 47 | S | 93.9 | Very high | 93.9 | Very high | 27 Ų | 27 | 74.9 Ų | 74.9 | 19% | 0.189 | 37% | 0.371 | C | S | . | . | trans | -85.6 | 118 | 170.9 | 175.3 | 0 | 0 | 0 | 0 | 109.9 | S50 P51 | S47-S50 VanDerWaalsContact CB-O 3.3Å; S47-S50 WeakPolarHBondContact CB-O 3.46Å; S47-S50 PolarHBondContact OG-N 2.83Å; S47-S50 VanDerWaalsContact OG-N 3.08Å; S47-S50 PolarHBondContact OG-O 2.81Å; S47-S50 PolarHBondContact OG-OG 3.05Å; S47-P51 VanDerWaalsContact O-CA 3.23Å; S47-P51 WeakPolarHBondContact O-CA 3.02Å; S47-P51 WeakPolarHBondContact O-CB 3.49Å | ||
| 48 | E | 89.8 | Confident | 94.1 | Very high | 127 Ų | 127 | 64.7 Ų | 64.7 | 59% | 0.593 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -71.1 | -41.1 | 178.2 | -173.9 | 176.7 | -178.2 | 0 | 0 | 111.9 | Y46 N398 | Y46-E48 HydrophobicContact CE2-CB 4.31Å; E48-N398 PolarHBondContact O-ND2 2.88Å |
| 49 | Q | 90.1 | Very high | 94.4 | Very high | 164 Ų | 164 | 61.2 Ų | 61.2 | 77% | 0.766 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -77.9 | -32.7 | -178.2 | -64.6 | -177.9 | 2.5 | 0 | 0 | 113 | ||
| 50 | S | 91.9 | Very high | 94.6 | Very high | 46 Ų | 46 | 61 Ų | 61 | 32% | 0.322 | 31% | 0.314 | S | S | . | . | trans | -138.3 | 70 | -176.4 | 54.2 | 0 | 0 | 0 | 0 | 111.1 | S47 L52 S53 | S47-S50 VanDerWaalsContact CB-O 3.3Å; S47-S50 WeakPolarHBondContact CB-O 3.46Å; S47-S50 PolarHBondContact OG-N 2.83Å; S47-S50 VanDerWaalsContact OG-N 3.08Å; S47-S50 PolarHBondContact OG-O 2.81Å; S47-S50 PolarHBondContact OG-OG 3.05Å; S50-L52 PolarHBondContact O-N 2.94Å; S50-S53 VanDerWaalsContact CB-OG 3.3Å; S50-S53 WeakPolarHBondContact CB-OG 3.3Å; S50-S53 PolarHBondContact O-N 3.01Å; S50-S53 VanDerWaalsContact O-N 3.1Å; S50-S53 PolarHBondContact O-OG 2.88Å; S50-S53 PolarHBondContact OG-OG 2.78Å | ||
| 51 | P | 91.8 | Very high | 94.8 | Very high | 10 Ų | 10 | 57.5 Ų | 57.5 | 7% | 0.065 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -15.6 | -174 | 24.8 | -35.7 | 0 | 0 | 0 | 114.7 | S47 Y313 P314 | S47-P51 VanDerWaalsContact O-CA 3.23Å; S47-P51 WeakPolarHBondContact O-CA 3.02Å; S47-P51 WeakPolarHBondContact O-CB 3.49Å; P51-Y313 HydrophobicContact CB-CD1 3.99Å; P51-Y313 HydrophobicContact CB-CE1 4.5Å; P51-Y313 HydrophobicContact CG-CD1 3.66Å; P51-Y313 HydrophobicContact CG-CE1 3.98Å; P51-P314 HydrophobicContact CB-CG 4.05Å |
| 52 | L | 93.5 | Very high | 94.8 | Very high | 34 Ų | 34 | 57 Ų | 57 | 18% | 0.178 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | -10.3 | 178.6 | -62.4 | 175.1 | 0 | 0 | 0 | 114 | S50 F72 Y313 Y348 | S50-L52 PolarHBondContact O-N 2.94Å; L52-F72 HydrophobicContact CB-CE1 4.49Å; L52-F72 HydrophobicContact CB-CZ 4.22Å; L52-F72 HydrophobicContact CD1-CE1 4.31Å; L52-F72 HydrophobicContact CD2-CD1 4.21Å; L52-F72 HydrophobicContact CD2-CE1 4.26Å; L52-Y313 HydrophobicContact CD1-CE1 4.32Å; L52-Y313 HydrophobicContact CD2-CE1 3.79Å; L52-Y313 HydrophobicContact CG-CE1 3.92Å; L52-Y348 HydrophobicContact CD1-CD1 3.73Å; L52-Y348 HydrophobicContact CD1-CG 4.45Å; L52-Y348 HydrophobicContact CD2-CD1 3.94Å; L52-Y348 HydrophobicContact CD2-CE1 4.05Å |
| 53 | S | 93.3 | Very high | 94.8 | Very high | 70 Ų | 70 | 55 Ų | 55 | 49% | 0.49 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -20.9 | -176.1 | 62.5 | 0 | 0 | 0 | 0 | 113.3 | S50 | S50-S53 VanDerWaalsContact CB-OG 3.3Å; S50-S53 WeakPolarHBondContact CB-OG 3.3Å; S50-S53 PolarHBondContact O-N 3.01Å; S50-S53 VanDerWaalsContact O-N 3.1Å; S50-S53 PolarHBondContact O-OG 2.88Å; S50-S53 PolarHBondContact OG-OG 2.78Å |
| 54 | H | 92.6 | Very high | 94.8 | Very high | 122 Ų | 122 | 50.4 Ų | 50.4 | 57% | 0.565 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -132.4 | 149 | -178.7 | -59.5 | 80.6 | 0 | 0 | 0 | 109.8 | A71 | H54-A71 WeakPolarHBondContact O-CB 3.34Š|
| 55 | D | 95.4 | Very high | 94.9 | Very high | 35 Ų | 35 | 46.9 Ų | 46.9 | 19% | 0.187 | 24% | 0.241 | C | C | . | . | trans | -60.7 | 149.3 | 172.5 | -68 | -28.3 | 0 | 0 | 0 | 111.3 | L68 F69 K77 | D55-L68 HydrophobicContact CB-CB 4.36Å; D55-F69 CarbonylContact C-O 3.58Å; D55-F69 VanDerWaalsContact CA-O 3.3Å; D55-F69 WeakPolarHBondContact CA-O 3.08Å; D55-F69 VanDerWaalsContact CB-O 3.25Å; D55-F69 WeakPolarHBondContact CB-O 3.49Å; D55-K77 IonicContact OD1-NZ 3.94Å; D55-K77 PolarHBondContact OD1-NZ 2.84Å; D55-K77 WeakPolarHBondContact OD2-CE 3.18Å; D55-K77 IonicContact OD2-NZ 3.24Å; D55-K77 PolarHBondContact OD2-NZ 2.92Å | ||
| 56 | L | 96.8 | Very high | 95 | Very high | 9 Ų | 9 | 46 Ų | 46 | 5% | 0.047 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 126.6 | 169.6 | 172.9 | 71.1 | 0 | 0 | 0 | 108.8 | L25 V44 F69 F319 | L25-L56 HydrophobicContact CD1-CD2 3.64Å; L25-L56 HydrophobicContact CD1-CG 4.42Å; L25-L56 HydrophobicContact CD2-CD2 3.31Å; L25-L56 HydrophobicContact CG-CD2 4.02Å; V44-L56 HydrophobicContact CG1-CD1 3.77Å; L56-F69 HydrophobicContact CB-CB 4.19Å; L56-F69 PolarHBondContact N-O 3.46Å; L56-F69 WeakPolarHBondContact O-CB 3.46Å; L56-F69 PolarHBondContact O-N 3.08Å; L56-F319 HydrophobicContact CD1-CZ 4.45Å; L56-F319 HydrophobicContact CD2-CZ 3.79Å |
| 57 | I | 98.2 | Very high | 95.1 | Very high | 38 Ų | 38 | 42.2 Ų | 42.2 | 20% | 0.195 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 127 | -172.7 | -51.4 | 175.1 | 0 | 0 | 0 | 110.5 | V44 L45 N59 K66 L67 L68 | V44-I57 WeakPolarHBondContact CA-O 3.35Å; L45-I57 HydrophobicContact CB-CB 4.16Å; L45-I57 HydrophobicContact CD1-CB 4.47Å; L45-I57 HydrophobicContact CD1-CG2 4.46Å; L45-I57 PolarHBondContact N-O 2.78Å; L45-I57 PolarHBondContact O-N 2.86Å; I57-N59 HydrophobicContact CG2-CB 4.49Å; I57-K66 HydrophobicContact CG2-CB 3.99Å; I57-K66 HydrophobicContact CG2-CD 4.42Å; I57-K66 HydrophobicContact CG2-CG 4Å; I57-L67 WeakPolarHBondContact CA-O 3.39Å; I57-L68 HydrophobicContact CG1-CG 4.3Å |
| 58 | L | 98.1 | Very high | 95.3 | Very high | 3 Ų | 3 | 42.3 Ų | 42.3 | 2% | 0.016 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 114 | 161.2 | -55.4 | 179.9 | 0 | 0 | 0 | 108.5 | L25 A28 V29 L32 Q43 V44 K66 L67 F69 | L25-L58 HydrophobicContact CD1-CD1 3.84Å; L25-L58 HydrophobicContact CD1-CD2 4.11Å; L25-L58 HydrophobicContact CD1-CG 3.99Å; A28-L58 HydrophobicContact CB-CD1 4.13Å; V29-L58 HydrophobicContact CG2-CD1 4.1Å; L32-L58 HydrophobicContact CD1-CD1 3.76Å; Q43-L58 WeakPolarHBondContact O-CA 3.39Å; V44-L58 HydrophobicContact CB-CD2 4.38Å; V44-L58 HydrophobicContact CG1-CD2 4.19Å; V44-L58 HydrophobicContact CG2-CD2 3.76Å; L58-K66 WeakPolarHBondContact O-CA 3.34Å; L58-L67 HydrophobicContact CB-CB 4.19Å; L58-L67 HydrophobicContact CB-CD1 4.44Å; L58-L67 HydrophobicContact CD1-CD1 4.47Å; L58-L67 PolarHBondContact N-O 3.32Å; L58-L67 PolarHBondContact O-N 3.29Å; L58-F69 HydrophobicContact CB-CE2 4.36Å; L58-F69 HydrophobicContact CD1-CE2 3.63Å; L58-F69 HydrophobicContact CD1-CZ 4.06Å; L58-F69 HydrophobicContact CG-CD2 4.3Å; L58-F69 HydrophobicContact CG-CE2 3.74Å |
| 59 | N | 98.2 | Very high | 95.7 | Very high | 13 Ų | 13 | 36.2 Ų | 36.2 | 7% | 0.07 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 108.5 | -176.3 | -177.9 | 29 | 0 | 0 | 0 | 110.4 | V42 Q43 L45 I57 T61 K66 Y82 | V42-N59 WeakPolarHBondContact CA-O 3.23Å; Q43-N59 HydrophobicContact CB-CB 4.25Å; Q43-N59 PolarHBondContact N-O 2.76Å; Q43-N59 PolarHBondContact O-N 3.16Å; Q43-N59 PolarHBondContact OE1-ND2 2.82Å; L45-N59 HydrophobicContact CD1-CB 4.26Å; I57-N59 HydrophobicContact CG2-CB 4.49Å; N59-T61 WeakPolarHBondContact ND2-CG2 3.49Å; N59-T61 PolarHBondContact O-N 2.68Å; N59-K66 HydrophobicContact CB-CG 4.19Å; N59-K66 WeakPolarHBondContact OD1-CG 3.31Å; N59-Y82 WeakPolarHBondContact OD1-CE1 3.3Å; N59-Y82 PolarHBondContact OD1-OH 2.89Å |
| 60 | L | 97.4 | Very high | 96 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 81.7 | 176.7 | -72.3 | 63 | 0 | 0 | 0 | 108.1 | F19 L32 I39 V42 Q62 D63 G64 I65 L67 | F19-L60 HydrophobicContact CE2-CD2 4.31Å; L32-L60 HydrophobicContact CD2-CD1 4.25Å; L32-L60 HydrophobicContact CD2-CD2 4.08Å; L32-L60 HydrophobicContact CD2-CG 4.21Å; I39-L60 HydrophobicContact CG2-CD2 3.66Å; I39-L60 HydrophobicContact CG2-CG 3.82Å; V42-L60 HydrophobicContact CG1-CD1 4.46Å; V42-L60 HydrophobicContact CG2-CG 4.35Å; L60-Q62 VanDerWaalsContact C-N 3.27Å; L60-Q62 PolarHBondContact O-N 3.34Å; L60-D63 HydrophobicContact CB-CB 4.19Å; L60-D63 PolarHBondContact O-N 2.9Å; L60-G64 PolarHBondContact O-N 2.82Å; L60-I65 HydrophobicContact CB-CB 4.26Å; L60-I65 HydrophobicContact CD2-CB 4.43Å; L60-I65 PolarHBondContact N-O 2.76Å; L60-I65 PolarHBondContact O-N 3.49Å; L60-L67 HydrophobicContact CD1-CD1 4.31Å; L60-L67 HydrophobicContact CD1-CG 4.42Å |
| 61 | T | 95.9 | Very high | 96.1 | Very high | 32 Ų | 32 | 27.9 Ų | 27.9 | 20% | 0.196 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -31.7 | -167.4 | 57.5 | 0 | 0 | 0 | 0 | 114.6 | N41 Q43 N59 Y82 | N41-T61 VanDerWaalsContact CB-OG1 3.29Å; N41-T61 WeakPolarHBondContact CB-OG1 3.45Å; N41-T61 PolarHBondContact O-N 2.87Å; N41-T61 PolarHBondContact O-OG1 3.2Å; Q43-T61 HydrophobicContact CG-CG2 4.05Å; N59-T61 WeakPolarHBondContact ND2-CG2 3.49Å; N59-T61 PolarHBondContact O-N 2.68Å; T61-Y82 WeakPolarHBondContact CA-OH 3.13Å; T61-Y82 PolarHBondContact O-OH 2.83Å |
| 62 | Q | 95.1 | Very high | 96.2 | Very high | 92 Ų | 92 | 31.4 Ų | 31.4 | 43% | 0.43 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -20.2 | 178.9 | -74 | -165 | -14.3 | 0 | 0 | 113.6 | N41 L60 | N41-Q62 HydrophobicContact CB-CG 4.19Å; N41-Q62 PolarHBondContact ND2-NE2 3.36Å; L60-Q62 VanDerWaalsContact C-N 3.27Å; L60-Q62 PolarHBondContact O-N 3.34Å |
| 63 | D | 95.1 | Very high | 96.1 | Very high | 10 Ų | 10 | 33.6 Ų | 33.6 | 5% | 0.053 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.8 | -8.3 | -173.8 | -54.7 | -64.4 | 0 | 0 | 0 | 112.4 | L2 L60 I65 | L2-D63 HydrophobicContact CD1-CB 3.81Å; L2-D63 VanDerWaalsContact CD1-CG 3.4Å; L2-D63 WeakPolarHBondContact CD1-OD1 3.37Å; L2-D63 HydrophobicContact CG-CB 4.5Å; L2-D63 WeakPolarHBondContact CG-OD1 3.24Å; L60-D63 HydrophobicContact CB-CB 4.19Å; L60-D63 PolarHBondContact O-N 2.9Å; D63-I65 HydrophobicContact CB-CD1 4.1Å; D63-I65 HydrophobicContact CB-CG1 4.42Å |
| 64 | G | 96.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.1 | 24.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | L60 V81 Y82 D83 | L60-G64 PolarHBondContact O-N 2.82Å; G64-V81 CarbonylContact O-C 3.6Å; G64-V81 WeakPolarHBondContact O-CA 3.46Å; G64-Y82 VanDerWaalsContact C-CD1 3.49Å; G64-Y82 VanDerWaalsContact O-CD1 3.24Å; G64-Y82 WeakPolarHBondContact O-CD1 3.45Å; G64-Y82 PolarHBondContact O-N 3.07Å; G64-D83 PolarHBondContact O-N 3.1Å |
| 65 | I | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 137.1 | -173.1 | -59.6 | 163.9 | 0 | 0 | 0 | 110.4 | L4 L12 L60 D63 L67 I79 E80 V81 V87 | L4-I65 HydrophobicContact CD1-CD1 3.67Å; L12-I65 HydrophobicContact CD2-CD1 3.92Å; L12-I65 HydrophobicContact CD2-CG1 4.35Å; L12-I65 HydrophobicContact CD2-CG2 4.29Å; L60-I65 HydrophobicContact CB-CB 4.26Å; L60-I65 HydrophobicContact CD2-CB 4.43Å; L60-I65 PolarHBondContact N-O 2.76Å; L60-I65 PolarHBondContact O-N 3.49Å; D63-I65 HydrophobicContact CB-CD1 4.1Å; D63-I65 HydrophobicContact CB-CG1 4.42Å; I65-L67 HydrophobicContact CG2-CD2 4.09Å; I65-I79 HydrophobicContact CG2-CG2 4.19Å; I65-E80 CarbonylContact C-O 3.54Å; I65-E80 WeakPolarHBondContact CA-O 3.2Å; I65-V81 HydrophobicContact CG1-CG2 4.38Å; I65-V87 HydrophobicContact CD1-CG2 4.48Å |
| 66 | K | 98.3 | Very high | 96.6 | Very high | 54 Ų | 54 | 26 Ų | 26 | 24% | 0.235 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 134.7 | 167.8 | -75.1 | 165.7 | 179.3 | 179.7 | 0 | 110 | I57 L58 N59 L68 E80 Y82 | I57-K66 HydrophobicContact CG2-CB 3.99Å; I57-K66 HydrophobicContact CG2-CD 4.42Å; I57-K66 HydrophobicContact CG2-CG 4Å; L58-K66 WeakPolarHBondContact O-CA 3.34Å; N59-K66 HydrophobicContact CB-CG 4.19Å; N59-K66 WeakPolarHBondContact OD1-CG 3.31Å; K66-L68 HydrophobicContact CB-CD1 3.93Å; K66-E80 HydrophobicContact CB-CB 4.2Å; K66-E80 WeakPolarHBondContact CD-OE2 3.32Å; K66-E80 PolarHBondContact N-O 3.18Å; K66-E80 IonicContact NZ-OE2 3.84Å; K66-E80 PolarHBondContact O-N 3.15Å; K66-Y82 HydrophobicContact CD-CD1 3.8Å; K66-Y82 HydrophobicContact CD-CE1 4.19Å; K66-Y82 HydrophobicContact CG-CD1 3.78Å; K66-Y82 HydrophobicContact CG-CE1 3.84Å |
| 67 | L | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 112.5 | 173.6 | -55.4 | 177.8 | 0 | 0 | 0 | 107.5 | F19 I57 L58 L60 I65 F69 L76 I79 | F19-L67 HydrophobicContact CB-CD2 4.22Å; F19-L67 HydrophobicContact CD1-CD1 3.71Å; F19-L67 HydrophobicContact CD2-CD1 4.09Å; F19-L67 HydrophobicContact CD2-CD2 4.17Å; F19-L67 HydrophobicContact CE1-CD1 3.77Å; F19-L67 HydrophobicContact CE2-CD1 4.13Å; F19-L67 HydrophobicContact CG-CD1 3.89Å; F19-L67 HydrophobicContact CG-CD2 4.13Å; F19-L67 HydrophobicContact CZ-CD1 4Å; I57-L67 WeakPolarHBondContact CA-O 3.39Å; L58-L67 HydrophobicContact CB-CB 4.19Å; L58-L67 HydrophobicContact CB-CD1 4.44Å; L58-L67 HydrophobicContact CD1-CD1 4.47Å; L58-L67 PolarHBondContact N-O 3.32Å; L58-L67 PolarHBondContact O-N 3.29Å; L60-L67 HydrophobicContact CD1-CD1 4.31Å; L60-L67 HydrophobicContact CD1-CG 4.42Å; I65-L67 HydrophobicContact CG2-CD2 4.09Å; L67-F69 HydrophobicContact CB-CD2 4.4Å; L67-F69 HydrophobicContact CB-CE2 3.59Å; L67-F69 HydrophobicContact CB-CZ 4.22Å; L67-F69 WeakPolarHBondContact O-CD2 3.42Å; L67-L76 HydrophobicContact CB-CD1 3.71Å; L67-L76 HydrophobicContact CD2-CD1 4.25Å; L67-L76 HydrophobicContact CD2-CD2 4.43Å; L67-I79 HydrophobicContact CD2-CB 4.35Å; L67-I79 HydrophobicContact CD2-CG1 3.93Å; L67-I79 HydrophobicContact CD2-CG2 3.93Å |
| 68 | L | 98.3 | Very high | 96.6 | Very high | 29 Ų | 29 | 25.7 Ų | 25.7 | 15% | 0.152 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 115.6 | -177.9 | -69.5 | 72.1 | 0 | 0 | 0 | 108.7 | D55 I57 K66 K77 V78 E80 | D55-L68 HydrophobicContact CB-CB 4.36Å; I57-L68 HydrophobicContact CG1-CG 4.3Å; K66-L68 HydrophobicContact CB-CD1 3.93Å; L68-K77 WeakPolarHBondContact O-CB 3.21Å; L68-K77 PolarHBondContact O-N 3.02Å; L68-V78 HydrophobicContact CB-CB 4.17Å; L68-V78 HydrophobicContact CD2-CB 4.42Å; L68-V78 PolarHBondContact N-O 2.86Å; L68-V78 PolarHBondContact O-N 2.77Å; L68-E80 HydrophobicContact CD1-CB 4.05Å |
| 69 | F | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 132.4 | 177.9 | -65.8 | -97.4 | 0 | 0 | 0 | 110 | L25 A28 D55 L56 L58 L67 A71 R75 L76 | L25-F69 VanDerWaalsContact CA-CE1 3.46Å; L25-F69 HydrophobicContact CB-CD1 3.94Å; L25-F69 HydrophobicContact CB-CE1 4.13Å; L25-F69 HydrophobicContact CB-CG 4.45Å; L25-F69 HydrophobicContact CD1-CD1 4.14Å; L25-F69 HydrophobicContact CD1-CD2 3.8Å; L25-F69 HydrophobicContact CD1-CE1 4.22Å; L25-F69 HydrophobicContact CD1-CE2 3.86Å; L25-F69 HydrophobicContact CD1-CG 3.97Å; L25-F69 HydrophobicContact CD1-CZ 4.09Å; A28-F69 HydrophobicContact CB-CE1 4.11Å; A28-F69 HydrophobicContact CB-CE2 4.48Å; A28-F69 HydrophobicContact CB-CZ 3.49Å; A28-F69 VanDerWaalsContact CB-CZ 3.49Å; D55-F69 CarbonylContact C-O 3.58Å; D55-F69 VanDerWaalsContact CA-O 3.3Å; D55-F69 WeakPolarHBondContact CA-O 3.08Å; D55-F69 VanDerWaalsContact CB-O 3.25Å; D55-F69 WeakPolarHBondContact CB-O 3.49Å; L56-F69 HydrophobicContact CB-CB 4.19Å; L56-F69 PolarHBondContact N-O 3.46Å; L56-F69 WeakPolarHBondContact O-CB 3.46Å; L56-F69 PolarHBondContact O-N 3.08Å; L58-F69 HydrophobicContact CB-CE2 4.36Å; L58-F69 HydrophobicContact CD1-CE2 3.63Å; L58-F69 HydrophobicContact CD1-CZ 4.06Å; L58-F69 HydrophobicContact CG-CD2 4.3Å; L58-F69 HydrophobicContact CG-CE2 3.74Å; L67-F69 HydrophobicContact CB-CD2 4.4Å; L67-F69 HydrophobicContact CB-CE2 3.59Å; L67-F69 HydrophobicContact CB-CZ 4.22Å; L67-F69 WeakPolarHBondContact O-CD2 3.42Å; F69-A71 PolarHBondContact O-N 3.38Å; F69-R75 WeakPolarHBondContact CA-O 3.34Å; F69-L76 HydrophobicContact CD1-CB 4.15Å; F69-L76 HydrophobicContact CD2-CD1 4.44Å; F69-L76 HydrophobicContact CE1-CB 3.75Å; F69-L76 HydrophobicContact CE1-CD1 4.22Å; F69-L76 HydrophobicContact CE2-CD1 4.06Å; F69-L76 HydrophobicContact CZ-CB 4.23Å; F69-L76 HydrophobicContact CZ-CD1 3.92Å |
| 70 | D | 96.3 | Very high | 96.6 | Very high | 26 Ų | 26 | 25.7 Ų | 25.7 | 14% | 0.139 | 12% | 0.124 | C | C | . | . | trans | -57.1 | 134.7 | 175.5 | 178.4 | 79.8 | 0 | 0 | 0 | 111.3 | F72 N73 Q74 R75 K77 A184 | D70-F72 VanDerWaalsContact C-N 3.28Å; D70-F72 PolarHBondContact O-N 3.03Å; D70-F72 WeakPolarHBondContact OD2-CB 3.46Å; D70-F72 PolarHBondContact OD2-N 3.42Å; D70-F72 VanDerWaalsContact OD2-N 3.11Å; D70-N73 VanDerWaalsContact OD2-CG 3.29Å; D70-N73 PolarHBondContact OD2-N 3.14Å; D70-N73 PolarHBondContact OD2-ND2 2.85Å; D70-Q74 WeakPolarHBondContact O-CA 3.4Å; D70-Q74 PolarHBondContact O-N 2.9Å; D70-R75 PolarHBondContact N-O 3.5Å; D70-K77 HydrophobicContact CB-CB 4.5Å; D70-A184 HydrophobicContact CB-CB 3.74Å | ||
| 71 | A | 93.8 | Very high | 96.6 | Very high | 8 Ų | 8 | 25.7 Ų | 25.7 | 7% | 0.066 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -27.6 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | H54 F69 | H54-A71 WeakPolarHBondContact O-CB 3.34Å; F69-A71 PolarHBondContact O-N 3.38Å |
| 72 | F | 93.1 | Very high | 96.6 | Very high | 84 Ų | 84 | 26.8 Ų | 26.8 | 37% | 0.368 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -60.2 | -179.5 | -64 | -94.6 | 0 | 0 | 0 | 109.8 | L52 D70 Q74 R324 Y348 | L52-F72 HydrophobicContact CB-CE1 4.49Å; L52-F72 HydrophobicContact CB-CZ 4.22Å; L52-F72 HydrophobicContact CD1-CE1 4.31Å; L52-F72 HydrophobicContact CD2-CD1 4.21Å; L52-F72 HydrophobicContact CD2-CE1 4.26Å; D70-F72 VanDerWaalsContact C-N 3.28Å; D70-F72 PolarHBondContact O-N 3.03Å; D70-F72 WeakPolarHBondContact OD2-CB 3.46Å; D70-F72 PolarHBondContact OD2-N 3.42Å; D70-F72 VanDerWaalsContact OD2-N 3.11Å; F72-Q74 PolarHBondContact O-N 2.94Å; F72-R324 WeakPolarHBondContact O-CD 3.11Å; F72-R324 PolarHBondContact O-NE 3.02Å; F72-Y348 HydrophobicContact CB-CE1 4.26Å; F72-Y348 AromaticContact CD1-CD1 3.88Å; F72-Y348 HydrophobicContact CD1-CD1 3.88Å; F72-Y348 AromaticContact CD1-CE1 3.48Å; F72-Y348 HydrophobicContact CD1-CE1 3.48Å; F72-Y348 VanDerWaalsContact CD1-CE1 3.48Å; F72-Y348 HydrophobicContact CD1-CE2 4.4Å; F72-Y348 HydrophobicContact CD1-CG 4.46Å; F72-Y348 AromaticContact CD1-CZ 3.77Å; F72-Y348 HydrophobicContact CE1-CD1 4.21Å; F72-Y348 HydrophobicContact CE1-CE1 4.26Å; F72-Y348 HydrophobicContact CG-CE1 4.29Å |
| 73 | N | 92.3 | Very high | 96.6 | Very high | 81 Ų | 81 | 24 Ų | 24 | 43% | 0.433 | 11% | 0.113 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -15.4 | -169.4 | -46.3 | -24 | 0 | 0 | 0 | 112.7 | D70 R75 | D70-N73 VanDerWaalsContact OD2-CG 3.29Å; D70-N73 PolarHBondContact OD2-N 3.14Å; D70-N73 PolarHBondContact OD2-ND2 2.85Å; N73-R75 HydrophobicContact CB-CB 4.46Å; N73-R75 HydrophobicContact CB-CG 4.28Å; N73-R75 PolarHBondContact O-N 2.82Å |
| 74 | Q | 95.6 | Very high | 96.6 | Very high | 14 Ų | 14 | 24 Ų | 24 | 7% | 0.065 | 11% | 0.112 | C | C | . | . | trans | 54.3 | 36.6 | -176.4 | -60.3 | 177.7 | -32 | 0 | 0 | 113.1 | L25 D70 F72 N312 | L25-Q74 PolarHBondContact N-O 3.18Å; D70-Q74 WeakPolarHBondContact O-CA 3.4Å; D70-Q74 PolarHBondContact O-N 2.9Å; F72-Q74 PolarHBondContact O-N 2.94Å; Q74-N312 PolarHBondContact NE2-O 2.83Å; Q74-N312 PolarHBondContact OE1-ND2 2.94Å | ||
| 75 | R | 96.6 | Very high | 96.4 | Very high | 53 Ų | 53 | 29.3 Ų | 29.3 | 20% | 0.2 | 15% | 0.145 | C | C | . | . | B | Isolated β-bridge | trans | -108.7 | 145.4 | 177.5 | -71 | -178.5 | -171.6 | 175 | 2.2 | 110.4 | G22 M23 F69 D70 N73 K77 A184 | G22-R75 WeakPolarHBondContact O-CD 3.14Å; G22-R75 WeakPolarHBondContact O-CG 3.31Å; M23-R75 CarbonylContact O-C 3.6Å; M23-R75 WeakPolarHBondContact O-CA 3.33Å; F69-R75 WeakPolarHBondContact CA-O 3.34Å; D70-R75 PolarHBondContact N-O 3.5Å; N73-R75 HydrophobicContact CB-CB 4.46Å; N73-R75 HydrophobicContact CB-CG 4.28Å; N73-R75 PolarHBondContact O-N 2.82Å; R75-K77 PolarHBondContact O-N 3.13Å; R75-K77 VanDerWaalsContact O-N 3.11Å; R75-A184 HydrophobicContact CB-CB 3.92Å |
| 76 | L | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.9 | 114.8 | 179.4 | -175 | 57.6 | 0 | 0 | 0 | 109.9 | F19 T20 L21 G22 M23 L67 F69 I79 | F19-L76 HydrophobicContact CB-CD2 4.04Å; T20-L76 WeakPolarHBondContact O-CD2 3.43Å; L21-L76 HydrophobicContact CD2-CG 4.19Å; G22-L76 PolarHBondContact N-O 3.42Å; M23-L76 HydrophobicContact CG-CB 4.01Å; M23-L76 HydrophobicContact CG-CD2 4.24Å; M23-L76 PolarHBondContact O-N 3.32Å; M23-L76 HydrophobicContact SD-CD2 4.19Å; L67-L76 HydrophobicContact CB-CD1 3.71Å; L67-L76 HydrophobicContact CD2-CD1 4.25Å; L67-L76 HydrophobicContact CD2-CD2 4.43Å; F69-L76 HydrophobicContact CD1-CB 4.15Å; F69-L76 HydrophobicContact CD2-CD1 4.44Å; F69-L76 HydrophobicContact CE1-CB 3.75Å; F69-L76 HydrophobicContact CE1-CD1 4.22Å; F69-L76 HydrophobicContact CE2-CD1 4.06Å; F69-L76 HydrophobicContact CZ-CB 4.23Å; F69-L76 HydrophobicContact CZ-CD1 3.92Å; L76-I79 HydrophobicContact CD1-CG1 4.29Å; L76-I79 HydrophobicContact CD2-CD1 3.92Å; L76-I79 HydrophobicContact CD2-CG1 3.81Å; L76-I79 HydrophobicContact CG-CG1 4.22Å |
| 77 | K | 96.9 | Very high | 96.2 | Very high | 35 Ų | 35 | 30.3 Ų | 30.3 | 15% | 0.152 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | -45.3 | -176.6 | -173.1 | 176.6 | 71.4 | -174.1 | 0 | 111.7 | D55 L68 D70 R75 T182 A184 | D55-K77 IonicContact OD1-NZ 3.94Å; D55-K77 PolarHBondContact OD1-NZ 2.84Å; D55-K77 WeakPolarHBondContact OD2-CE 3.18Å; D55-K77 IonicContact OD2-NZ 3.24Å; D55-K77 PolarHBondContact OD2-NZ 2.92Å; L68-K77 WeakPolarHBondContact O-CB 3.21Å; L68-K77 PolarHBondContact O-N 3.02Å; D70-K77 HydrophobicContact CB-CB 4.5Å; R75-K77 PolarHBondContact O-N 3.13Å; R75-K77 VanDerWaalsContact O-N 3.11Å; K77-T182 HydrophobicContact CD-CG2 4.5Å; K77-T182 HydrophobicContact CG-CG2 4.25Å; K77-A184 HydrophobicContact CB-CB 4.08Å; K77-A184 HydrophobicContact CG-CB 4.33Å |
| 78 | V | 97.9 | Very high | 96.1 | Very high | 5 Ų | 5 | 33.5 Ų | 33.5 | 3% | 0.03 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 141.4 | -177.4 | -176.9 | 0 | 0 | 0 | 0 | 109.7 | L68 Y172 I173 L179 T182 | L68-V78 HydrophobicContact CB-CB 4.17Å; L68-V78 HydrophobicContact CD2-CB 4.42Å; L68-V78 PolarHBondContact N-O 2.86Å; L68-V78 PolarHBondContact O-N 2.77Å; V78-Y172 HydrophobicContact CG1-CD1 3.95Å; V78-I173 WeakPolarHBondContact CA-O 3.48Å; V78-L179 HydrophobicContact CG1-CD1 3.98Å; V78-L179 HydrophobicContact CG2-CD1 4.09Å; V78-T182 HydrophobicContact CG2-CG2 3.68Å |
| 79 | I | 98.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 114.3 | 166.4 | -56 | 171.8 | 0 | 0 | 0 | 106.8 | L12 F19 L21 I65 L67 L76 Y172 I173 | L12-I79 HydrophobicContact CB-CD1 3.87Å; L12-I79 HydrophobicContact CB-CG2 4.07Å; L12-I79 HydrophobicContact CD2-CG2 3.66Å; F19-I79 HydrophobicContact CB-CD1 4.16Å; F19-I79 WeakPolarHBondContact O-CD1 3.21Å; L21-I79 HydrophobicContact CD2-CD1 4.19Å; L21-I79 HydrophobicContact CD2-CG1 4Å; I65-I79 HydrophobicContact CG2-CG2 4.19Å; L67-I79 HydrophobicContact CD2-CB 4.35Å; L67-I79 HydrophobicContact CD2-CG1 3.93Å; L67-I79 HydrophobicContact CD2-CG2 3.93Å; L76-I79 HydrophobicContact CD1-CG1 4.29Å; L76-I79 HydrophobicContact CD2-CD1 3.92Å; L76-I79 HydrophobicContact CD2-CG1 3.81Å; L76-I79 HydrophobicContact CG-CG1 4.22Å; I79-Y172 CarbonylContact O-C 3.48Å; I79-Y172 WeakPolarHBondContact O-CA 3.45Å; I79-I173 HydrophobicContact CB-CB 4.18Å; I79-I173 HydrophobicContact CB-CD1 4.42Å; I79-I173 HydrophobicContact CG2-CD1 4.39Å; I79-I173 PolarHBondContact N-O 3.49Å; I79-I173 PolarHBondContact O-N 3.4Å |
| 80 | E | 97.8 | Very high | 96 | Very high | 17 Ų | 17 | 34.5 Ų | 34.5 | 8% | 0.079 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 125.7 | 176.4 | 171.7 | -178.5 | -145 | 0 | 0 | 109.1 | I65 K66 L68 R170 M171 Y172 | I65-E80 CarbonylContact C-O 3.54Å; I65-E80 WeakPolarHBondContact CA-O 3.2Å; K66-E80 HydrophobicContact CB-CB 4.2Å; K66-E80 WeakPolarHBondContact CD-OE2 3.32Å; K66-E80 PolarHBondContact N-O 3.18Å; K66-E80 IonicContact NZ-OE2 3.84Å; K66-E80 PolarHBondContact O-N 3.15Å; L68-E80 HydrophobicContact CD1-CB 4.05Å; E80-R170 IonicContact OE1-NE 3.75Å; E80-M171 CarbonylContact C-O 3.55Å; E80-M171 WeakPolarHBondContact CA-O 3.43Å; E80-Y172 HydrophobicContact CB-CD1 3.78Å; E80-Y172 HydrophobicContact CB-CE1 3.73Å; E80-Y172 VanDerWaalsContact CD-CE1 3.49Å; E80-Y172 HydrophobicContact CG-CD1 3.92Å; E80-Y172 HydrophobicContact CG-CE1 3.43Å; E80-Y172 VanDerWaalsContact CG-CE1 3.43Å; E80-Y172 WeakPolarHBondContact OE1-CE1 3.49Å; E80-Y172 PolarHBondContact OE1-OH 2.82Å |
| 81 | V | 97.8 | Very high | 96 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 103 | 163.5 | -172 | 0 | 0 | 0 | 0 | 107 | L12 G64 I65 L84 V87 L89 R170 M171 | L12-V81 HydrophobicContact CD2-CG2 4.25Å; G64-V81 CarbonylContact O-C 3.6Å; G64-V81 WeakPolarHBondContact O-CA 3.46Å; I65-V81 HydrophobicContact CG1-CG2 4.38Å; V81-L84 HydrophobicContact CG1-CD1 4.18Å; V81-L84 HydrophobicContact CG1-CG 4.07Å; V81-V87 HydrophobicContact CG1-CG1 3.79Å; V81-L89 HydrophobicContact CG1-CD1 4.44Å; V81-R170 CarbonylContact O-C 3.53Å; V81-R170 WeakPolarHBondContact O-CA 3.12Å; V81-M171 HydrophobicContact CB-CB 4.24Å; V81-M171 HydrophobicContact CG2-SD 4.39Å; V81-M171 PolarHBondContact N-O 3.1Å; V81-M171 PolarHBondContact O-N 3.35Å |
| 82 | Y | 95.9 | Very high | 96 | Very high | 55 Ų | 55 | 40.9 Ų | 40.9 | 22% | 0.216 | 20% | 0.201 | C | C | . | . | trans | -94.2 | -11.2 | -175.5 | 69.9 | -95.7 | 0 | 0 | 0 | 113.4 | N59 T61 G64 K66 | N59-Y82 WeakPolarHBondContact OD1-CE1 3.3Å; N59-Y82 PolarHBondContact OD1-OH 2.89Å; T61-Y82 WeakPolarHBondContact CA-OH 3.13Å; T61-Y82 PolarHBondContact O-OH 2.83Å; G64-Y82 VanDerWaalsContact C-CD1 3.49Å; G64-Y82 VanDerWaalsContact O-CD1 3.24Å; G64-Y82 WeakPolarHBondContact O-CD1 3.45Å; G64-Y82 PolarHBondContact O-N 3.07Å; K66-Y82 HydrophobicContact CD-CD1 3.8Å; K66-Y82 HydrophobicContact CD-CE1 4.19Å; K66-Y82 HydrophobicContact CG-CD1 3.78Å; K66-Y82 HydrophobicContact CG-CE1 3.84Å | ||
| 83 | D | 94.9 | Very high | 96 | Very high | 34 Ų | 34 | 39.3 Ų | 39.3 | 18% | 0.182 | 21% | 0.209 | C | C | . | . | trans | -145.1 | 92.8 | 177.7 | -174 | -8.8 | 0 | 0 | 0 | 110.1 | G64 T85 K86 | G64-D83 PolarHBondContact O-N 3.1Å; D83-T85 PolarHBondContact O-N 2.91Å; D83-T85 WeakPolarHBondContact OD1-CB 3.26Å; D83-T85 PolarHBondContact OD1-N 3.24Å; D83-T85 VanDerWaalsContact OD1-N 3.17Å; D83-T85 PolarHBondContact OD1-OG1 3.49Å; D83-K86 HydrophobicContact CB-CD 4.29Å; D83-K86 PolarHBondContact O-N 2.87Å; D83-K86 VanDerWaalsContact OD2-CD 3.25Å; D83-K86 WeakPolarHBondContact OD2-CD 3.07Å; D83-K86 WeakPolarHBondContact OD2-CE 3.27Å; D83-K86 IonicContact OD2-NZ 3.16Å; D83-K86 PolarHBondContact OD2-NZ 2.66Å | ||
| 84 | L | 94.6 | Very high | 96.1 | Very high | 8 Ų | 8 | 40.1 Ų | 40.1 | 4% | 0.042 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -68.7 | -16.5 | -177.3 | -75.4 | 82 | 0 | 0 | 0 | 112.7 | V81 K86 V87 L89 N97 P103 V168 | V81-L84 HydrophobicContact CG1-CD1 4.18Å; V81-L84 HydrophobicContact CG1-CG 4.07Å; L84-K86 PolarHBondContact O-N 3.33Å; L84-V87 PolarHBondContact O-N 2.91Å; L84-L89 HydrophobicContact CD2-CD1 4.33Å; L84-L89 HydrophobicContact CG-CD1 4.46Å; L84-N97 PolarHBondContact O-ND2 2.85Å; L84-P103 HydrophobicContact CB-CG 4.37Å; L84-P103 HydrophobicContact CD2-CB 3.9Å; L84-P103 HydrophobicContact CD2-CG 3.78Å; L84-V168 HydrophobicContact CD1-CG1 3.8Å; L84-V168 HydrophobicContact CD2-CB 3.91Å; L84-V168 HydrophobicContact CD2-CG1 3.67Å; L84-V168 HydrophobicContact CG-CG1 4.42Å |
| 85 | T | 93.9 | Very high | 96.1 | Very high | 112 Ų | 112 | 42.1 Ų | 42.1 | 69% | 0.687 | 23% | 0.226 | S | C | * | . | G | 310 helix | trans | -69.8 | -17.2 | 179.6 | 73.7 | 0 | 0 | 0 | 0 | 112.9 | D83 | D83-T85 PolarHBondContact O-N 2.91Å; D83-T85 WeakPolarHBondContact OD1-CB 3.26Å; D83-T85 PolarHBondContact OD1-N 3.24Å; D83-T85 VanDerWaalsContact OD1-N 3.17Å; D83-T85 PolarHBondContact OD1-OG1 3.49Å |
| 86 | K | 94.6 | Very high | 96.1 | Very high | 76 Ų | 76 | 39.6 Ų | 39.6 | 33% | 0.33 | 22% | 0.216 | S | C | . | . | G | 310 helix | trans | -99.1 | 0.7 | -175.4 | -70.6 | 177 | 179.1 | 146.2 | 0 | 114.7 | M1 D83 L84 | M1-K86 VanDerWaalsContact CG-O 3.24Å; M1-K86 WeakPolarHBondContact CG-O 3.4Å; D83-K86 HydrophobicContact CB-CD 4.29Å; D83-K86 PolarHBondContact O-N 2.87Å; D83-K86 VanDerWaalsContact OD2-CD 3.25Å; D83-K86 WeakPolarHBondContact OD2-CD 3.07Å; D83-K86 WeakPolarHBondContact OD2-CE 3.27Å; D83-K86 IonicContact OD2-NZ 3.16Å; D83-K86 PolarHBondContact OD2-NZ 2.66Å; L84-K86 PolarHBondContact O-N 3.33Å |
| 87 | V | 95.8 | Very high | 96 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 147.2 | -175.9 | 61.1 | 0 | 0 | 0 | 0 | 110.9 | M1 L2 L4 I65 V81 L84 L89 N97 | M1-V87 PolarHBondContact SD-N 3.45Å; M1-V87 VanDerWaalsContact SD-N 3.45Å; L2-V87 HydrophobicContact CB-CG2 4.28Å; L4-V87 HydrophobicContact CD1-CG2 3.77Å; L4-V87 HydrophobicContact CG-CG2 4.1Å; I65-V87 HydrophobicContact CD1-CG2 4.48Å; V81-V87 HydrophobicContact CG1-CG1 3.79Å; L84-V87 PolarHBondContact O-N 2.91Å; V87-L89 HydrophobicContact CG1-CD1 4.27Å; V87-L89 HydrophobicContact CG1-CD2 4.12Å; V87-L89 HydrophobicContact CG1-CG 4.06Å; V87-L89 HydrophobicContact CG2-CD2 3.73Å; V87-L89 HydrophobicContact CG2-CG 4.3Å; V87-N97 PolarHBondContact O-ND2 3.44Å |
| 88 | K | 97.1 | Very high | 95.9 | Very high | 67 Ų | 67 | 39.2 Ų | 39.2 | 29% | 0.291 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 132.1 | 166.2 | -57.9 | -178.4 | -178.3 | -176.7 | 0 | 108.4 | M1 L2 D3 L4 N97 | M1-K88 HydrophobicContact CE-CB 4.33Å; M1-K88 HydrophobicContact CE-CD 4.21Å; M1-K88 HydrophobicContact CE-CG 3.23Å; M1-K88 HydrophobicContact CG-CG 4.2Å; L2-K88 PolarHBondContact O-N 3.23Å; D3-K88 HydrophobicContact CB-CB 4.3Å; D3-K88 WeakPolarHBondContact OD1-CB 3.26Å; L4-K88 PolarHBondContact N-O 2.79Å; K88-N97 CarbonylContact C-O 3.59Å; K88-N97 WeakPolarHBondContact CA-O 3.26Å |
| 89 | L | 97.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 136.9 | -178.6 | -55.6 | 170.3 | 0 | 0 | 0 | 110.8 | L4 V6 L12 V81 L84 V87 H95 F96 N97 M171 | L4-L89 HydrophobicContact CB-CD2 4.19Å; L4-L89 CarbonylContact O-C 3.59Å; L4-L89 WeakPolarHBondContact O-CA 3.25Å; V6-L89 HydrophobicContact CG2-CB 4.16Å; V6-L89 HydrophobicContact CG2-CD2 4.12Å; L12-L89 HydrophobicContact CD1-CD2 3.92Å; V81-L89 HydrophobicContact CG1-CD1 4.44Å; L84-L89 HydrophobicContact CD2-CD1 4.33Å; L84-L89 HydrophobicContact CG-CD1 4.46Å; V87-L89 HydrophobicContact CG1-CD1 4.27Å; V87-L89 HydrophobicContact CG1-CD2 4.12Å; V87-L89 HydrophobicContact CG1-CG 4.06Å; V87-L89 HydrophobicContact CG2-CD2 3.73Å; V87-L89 HydrophobicContact CG2-CG 4.3Å; L89-H95 WeakPolarHBondContact O-CA 3.13Å; L89-F96 HydrophobicContact CB-CD1 4.29Å; L89-F96 HydrophobicContact CB-CE1 3.51Å; L89-F96 HydrophobicContact CB-CE2 4.06Å; L89-F96 HydrophobicContact CB-CZ 3.38Å; L89-F96 HydrophobicContact CD1-CE2 4.1Å; L89-F96 HydrophobicContact CD1-CZ 3.75Å; L89-F96 HydrophobicContact CG-CZ 4.21Å; L89-F96 PolarHBondContact O-N 2.76Å; L89-F96 VanDerWaalsContact O-N 3.12Å; L89-N97 HydrophobicContact CB-CB 4.09Å; L89-N97 HydrophobicContact CD1-CB 4.41Å; L89-N97 HydrophobicContact CG-CB 4.44Å; L89-N97 PolarHBondContact N-O 3.15Å; L89-N97 PolarHBondContact O-N 3Å; L89-M171 HydrophobicContact CD1-SD 3.85Å |
| 90 | K | 96.8 | Very high | 95.2 | Very high | 50 Ų | 50 | 51.3 Ų | 51.3 | 22% | 0.217 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 151.9 | 175.8 | -65.1 | 174.5 | -171.3 | 161.1 | 0 | 110.7 | D3 L4 E5 V6 V94 H95 | D3-K90 VanDerWaalsContact OD1-CE 3.23Å; D3-K90 WeakPolarHBondContact OD1-CE 3.48Å; D3-K90 IonicContact OD1-NZ 3.93Å; D3-K90 VanDerWaalsContact OD2-CE 3.26Å; D3-K90 WeakPolarHBondContact OD2-CE 3.44Å; D3-K90 IonicContact OD2-NZ 3.93Å; D3-K90 PolarHBondContact OD2-NZ 2.72Å; L4-K90 PolarHBondContact O-N 3.44Å; E5-K90 WeakPolarHBondContact OE2-CB 3.38Å; V6-K90 WeakPolarHBondContact CB-O 3.47Å; V6-K90 PolarHBondContact N-O 2.81Å; K90-V94 CarbonylContact C-O 3.57Å; K90-V94 WeakPolarHBondContact CA-O 3.48Å; K90-H95 WeakPolarHBondContact CE-CE1 3.31Å; K90-H95 WeakPolarHBondContact CE-NE2 3.4Å; K90-H95 VanDerWaalsContact CG-CD2 3.42Å; K90-H95 WeakPolarHBondContact CG-CD2 3.25Å |
| 91 | Y | 96.4 | Very high | 95 | Very high | 69 Ų | 69 | 53 Ų | 53 | 27% | 0.271 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 128.4 | 167.4 | 177.2 | -113.6 | 0 | 0 | 0 | 109 | V6 P8 G93 V94 S111 F112 | V6-Y91 WeakPolarHBondContact O-CD2 3.46Å; P8-Y91 HydrophobicContact CG-CD2 4.45Å; P8-Y91 HydrophobicContact CG-CE2 3.84Å; Y91-G93 PolarHBondContact O-N 2.71Å; Y91-V94 PolarHBondContact N-O 3.46Å; Y91-V94 PolarHBondContact O-N 2.92Å; Y91-S111 VanDerWaalsContact CD1-O 3.29Å; Y91-S111 WeakPolarHBondContact CD1-O 3.37Å; Y91-S111 WeakPolarHBondContact CE1-O 3.21Å; Y91-F112 AromaticContact CD1-CD1 3.84Å; Y91-F112 HydrophobicContact CD1-CD1 3.84Å; Y91-F112 AromaticContact CD1-CE1 3.66Å; Y91-F112 HydrophobicContact CD1-CE1 3.66Å; Y91-F112 HydrophobicContact CD1-CG 4.47Å; Y91-F112 HydrophobicContact CD1-CZ 4.16Å; Y91-F112 HydrophobicContact CD2-CD1 4.3Å; Y91-F112 AromaticContact CD2-CE1 3.57Å; Y91-F112 HydrophobicContact CD2-CE1 3.57Å; Y91-F112 HydrophobicContact CD2-CZ 4.25Å; Y91-F112 AromaticContact CE1-CD1 3.84Å; Y91-F112 HydrophobicContact CE1-CD1 3.84Å; Y91-F112 HydrophobicContact CE1-CE1 4.04Å; Y91-F112 HydrophobicContact CE2-CD1 4.32Å; Y91-F112 AromaticContact CE2-CE1 3.96Å; Y91-F112 HydrophobicContact CE2-CE1 3.96Å; Y91-F112 HydrophobicContact CG-CD1 4.06Å; Y91-F112 AromaticContact CG-CE1 3.4Å; Y91-F112 HydrophobicContact CG-CE1 3.4Å; Y91-F112 VanDerWaalsContact CG-CE1 3.4Å; Y91-F112 AromaticContact CG-CZ 3.77Å; Y91-F112 HydrophobicContact CG-CZ 3.77Å |
| 92 | C | 93.4 | Very high | 94.6 | Very high | 98 Ų | 98 | 55.7 Ų | 55.7 | 66% | 0.662 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | 37.5 | -170.6 | -63.6 | 0 | 0 | 0 | 0 | 112.6 | E5 V94 | E5-C92 WeakPolarHBondContact OE1-CA 3.39Å; E5-C92 PolarHBondContact OE1-N 2.81Å; C92-V94 PolarHBondContact O-N 3.35Å |
| 93 | G | 92.8 | Very high | 94.5 | Very high | 52 Ų | 52 | 53.7 Ų | 53.7 | 54% | 0.536 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.9 | -2.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | E5 Y91 | E5-G93 PolarHBondContact OE1-N 3.02Å; E5-G93 VanDerWaalsContact OE1-N 3.07Å; E5-G93 PolarHBondContact OE2-N 3.29Å; Y91-G93 PolarHBondContact O-N 2.71Å |
| 94 | V | 95.3 | Very high | 94.2 | Very high | 98 Ų | 98 | 53.4 Ų | 53.4 | 59% | 0.594 | 32% | 0.315 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 130.3 | 179.2 | -177.3 | 0 | 0 | 0 | 0 | 110.2 | K90 Y91 C92 F96 | K90-V94 CarbonylContact C-O 3.57Å; K90-V94 WeakPolarHBondContact CA-O 3.48Å; Y91-V94 PolarHBondContact N-O 3.46Å; Y91-V94 PolarHBondContact O-N 2.92Å; C92-V94 PolarHBondContact O-N 3.35Å; V94-F96 PolarHBondContact O-N 3.38Å |
| 95 | H | 96.2 | Very high | 93.8 | Very high | 55 Ų | 55 | 53.7 Ų | 53.7 | 26% | 0.255 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 125.3 | 176.3 | -74.4 | 106 | 0 | 0 | 0 | 111.5 | D3 L89 K90 I101 | D3-H95 IonicContact OD1-CD2 3.51Å; D3-H95 IonicContact OD1-CE1 2.94Å; D3-H95 IonicContact OD1-NE2 3.95Å; D3-H95 PolarHBondContact OD1-NE2 2.88Å; D3-H95 IonicContact OD2-NE2 3.79Å; L89-H95 WeakPolarHBondContact O-CA 3.13Å; K90-H95 WeakPolarHBondContact CE-CE1 3.31Å; K90-H95 WeakPolarHBondContact CE-NE2 3.4Å; K90-H95 VanDerWaalsContact CG-CD2 3.42Å; K90-H95 WeakPolarHBondContact CG-CD2 3.25Å; H95-I101 HydrophobicContact CB-CD1 3.83Å; H95-I101 WeakPolarHBondContact O-CD1 3.33Å |
| 96 | F | 95.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | -12.5 | 168.6 | 72.4 | -93.1 | 0 | 0 | 0 | 112.4 | V6 L89 V94 Q107 I108 S111 F112 F136 M171 | V6-F96 HydrophobicContact CB-CE1 4.44Å; V6-F96 HydrophobicContact CG2-CE1 3.89Å; V6-F96 HydrophobicContact CG2-CZ 4.02Å; L89-F96 HydrophobicContact CB-CD1 4.29Å; L89-F96 HydrophobicContact CB-CE1 3.51Å; L89-F96 HydrophobicContact CB-CE2 4.06Å; L89-F96 HydrophobicContact CB-CZ 3.38Å; L89-F96 HydrophobicContact CD1-CE2 4.1Å; L89-F96 HydrophobicContact CD1-CZ 3.75Å; L89-F96 HydrophobicContact CG-CZ 4.21Å; L89-F96 PolarHBondContact O-N 2.76Å; L89-F96 VanDerWaalsContact O-N 3.12Å; V94-F96 PolarHBondContact O-N 3.38Å; F96-Q107 HydrophobicContact CB-CG 4.17Å; F96-Q107 WeakPolarHBondContact O-CG 3.22Å; F96-I108 HydrophobicContact CD2-CD1 3.66Å; F96-I108 HydrophobicContact CE2-CD1 4.03Å; F96-S111 WeakPolarHBondContact CB-OG 3.3Å; F96-F112 HydrophobicContact CD1-CE2 4.13Å; F96-F112 HydrophobicContact CD1-CZ 4.13Å; F96-F112 HydrophobicContact CD2-CE2 4.33Å; F96-F112 HydrophobicContact CE1-CE2 4.22Å; F96-F112 AromaticContact CE1-CZ 3.9Å; F96-F112 HydrophobicContact CE1-CZ 3.9Å; F96-F112 HydrophobicContact CE2-CE2 4.42Å; F96-F112 HydrophobicContact CG-CE2 4.17Å; F96-F112 HydrophobicContact CZ-CE2 4.36Å; F96-F112 HydrophobicContact CZ-CZ 4.19Å; F96-F136 HydrophobicContact CE2-CE1 4.22Å; F96-M171 HydrophobicContact CZ-CE 4.43Å; F96-M171 HydrophobicContact CZ-SD 4.08Å |
| 97 | N | 95.7 | Very high | 93.3 | Very high | 6 Ų | 6 | 50 Ų | 50 | 3% | 0.032 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 120.6 | 175.5 | 176.3 | 54.7 | 0 | 0 | 0 | 110.1 | L84 V87 K88 L89 I101 P103 | L84-N97 PolarHBondContact O-ND2 2.85Å; V87-N97 PolarHBondContact O-ND2 3.44Å; K88-N97 CarbonylContact C-O 3.59Å; K88-N97 WeakPolarHBondContact CA-O 3.26Å; L89-N97 HydrophobicContact CB-CB 4.09Å; L89-N97 HydrophobicContact CD1-CB 4.41Å; L89-N97 HydrophobicContact CG-CB 4.44Å; L89-N97 PolarHBondContact N-O 3.15Å; L89-N97 PolarHBondContact O-N 3Å; N97-I101 WeakPolarHBondContact CA-O 3.35Å; N97-P103 HydrophobicContact CB-CB 4.16Å; N97-P103 HydrophobicContact CB-CG 4.48Å; N97-P103 WeakPolarHBondContact OD1-CD 3.5Å; N97-P103 WeakPolarHBondContact OD1-CG 3.34Å |
| 98 | S | 95 | Very high | 93.1 | Very high | 21 Ų | 21 | 50 Ų | 50 | 15% | 0.147 | 29% | 0.292 | C | S | . | . | B | Isolated β-bridge | trans | -160.5 | 178.4 | 173.4 | 76.4 | 0 | 0 | 0 | 0 | 110.9 | A100 I101 | S98-A100 PolarHBondContact O-N 3.08Å; S98-A100 VanDerWaalsContact O-N 3.1Å; S98-A100 PolarHBondContact OG-N 3.2Å; S98-I101 PolarHBondContact N-O 3.26Å; S98-I101 CarbonylContact O-C 3.46Å; S98-I101 PolarHBondContact O-N 3.11Å; S98-I101 VanDerWaalsContact O-N 3.15Å; S98-I101 PolarHBondContact OG-N 3.49Å |
| 99 | Q | 90.8 | Very high | 92.7 | Very high | 163 Ų | 163 | 50.1 Ų | 50.1 | 76% | 0.762 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -23.1 | 172.5 | -75.6 | 172.5 | -16.6 | 0 | 0 | 113.8 | M1 | M1-Q99 HydrophobicContact CE-CG 3.93Š|
| 100 | A | 91.8 | Very high | 92.4 | Very high | 96 Ų | 96 | 57.5 Ų | 57.5 | 79% | 0.793 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101 | -15.3 | 179 | 0 | 0 | 0 | 0 | 0 | 113.4 | S98 | S98-A100 PolarHBondContact O-N 3.08Å; S98-A100 VanDerWaalsContact O-N 3.1Å; S98-A100 PolarHBondContact OG-N 3.2Å |
| 101 | I | 92.7 | Very high | 92.2 | Very high | 54 Ų | 54 | 56.5 Ų | 56.5 | 28% | 0.277 | 33% | 0.33 | S | S | . | . | B | Isolated β-bridge | trans | -128.9 | 109.2 | -173 | -57.6 | 173.2 | 0 | 0 | 0 | 107.7 | H95 N97 S98 Q107 | H95-I101 HydrophobicContact CB-CD1 3.83Å; H95-I101 WeakPolarHBondContact O-CD1 3.33Å; N97-I101 WeakPolarHBondContact CA-O 3.35Å; S98-I101 PolarHBondContact N-O 3.26Å; S98-I101 CarbonylContact O-C 3.46Å; S98-I101 PolarHBondContact O-N 3.11Å; S98-I101 VanDerWaalsContact O-N 3.15Å; S98-I101 PolarHBondContact OG-N 3.49Å; I101-Q107 HydrophobicContact CG2-CG 4.03Å |
| 102 | A | 91.1 | Very high | 91.9 | Very high | 55 Ų | 55 | 54.6 Ų | 54.6 | 46% | 0.455 | 32% | 0.323 | S | S | . | . | trans | -75.6 | 138.6 | 175 | 0 | 0 | 0 | 0 | 0 | 110.2 | T104 | A102-T104 HydrophobicContact CB-CG2 4.12Å; A102-T104 PolarHBondContact O-N 3.11Å | ||
| 103 | P | 92.1 | Very high | 91.6 | Very high | 13 Ų | 13 | 51.4 Ų | 51.4 | 8% | 0.084 | 31% | 0.307 | C | S | . | . | trans | -79.6 | 70.7 | 177.2 | 33.7 | -33.9 | 0 | 0 | 0 | 109.3 | L84 N97 T167 V168 | L84-P103 HydrophobicContact CB-CG 4.37Å; L84-P103 HydrophobicContact CD2-CB 3.9Å; L84-P103 HydrophobicContact CD2-CG 3.78Å; N97-P103 HydrophobicContact CB-CB 4.16Å; N97-P103 HydrophobicContact CB-CG 4.48Å; N97-P103 WeakPolarHBondContact OD1-CD 3.5Å; N97-P103 WeakPolarHBondContact OD1-CG 3.34Å; P103-T167 WeakPolarHBondContact O-CA 3.37Å; P103-V168 HydrophobicContact CB-CB 4.11Å; P103-V168 HydrophobicContact CB-CG2 4.14Å; P103-V168 HydrophobicContact CG-CB 4.23Å; P103-V168 WeakPolarHBondContact O-CG2 3.5Å; P103-V168 PolarHBondContact O-N 2.8Å | ||
| 104 | T | 90 | Very high | 90.8 | Very high | 29 Ų | 29 | 54 Ų | 54 | 18% | 0.178 | 32% | 0.323 | C | S | . | . | B | Isolated β-bridge | trans | -78.6 | 163.1 | 173.8 | 74.2 | 0 | 0 | 0 | 0 | 110.6 | A102 E106 Q107 I108 A166 T167 | A102-T104 HydrophobicContact CB-CG2 4.12Å; A102-T104 PolarHBondContact O-N 3.11Å; T104-E106 VanDerWaalsContact C-N 3.25Å; T104-E106 WeakPolarHBondContact CB-OE2 3.16Å; T104-E106 PolarHBondContact O-N 3.09Å; T104-E106 PolarHBondContact OG1-OE2 2.89Å; T104-Q107 WeakPolarHBondContact O-CB 3.33Å; T104-Q107 PolarHBondContact O-N 3.38Å; T104-Q107 VanDerWaalsContact O-N 3.15Å; T104-Q107 PolarHBondContact OG1-N 3.04Å; T104-I108 WeakPolarHBondContact O-CG1 3.16Å; T104-I108 PolarHBondContact O-N 3.3Å; T104-A166 VanDerWaalsContact CA-O 3.3Å; T104-A166 WeakPolarHBondContact CA-O 3.32Å; T104-T167 HydrophobicContact CG2-CG2 4.2Å |
| 105 | I | 85.8 | Confident | 90 | Very high | 14 Ų | 14 | 51.6 Ų | 51.6 | 7% | 0.072 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -56.3 | -40.6 | 175.5 | -172 | 167.5 | 0 | 0 | 0 | 112.7 | Q107 I108 D109 F138 I162 A166 | I105-Q107 VanDerWaalsContact C-N 3.3Å; I105-Q107 PolarHBondContact O-N 2.64Å; I105-I108 PolarHBondContact O-N 3.3Å; I105-I108 VanDerWaalsContact O-N 3.12Å; I105-D109 PolarHBondContact O-N 3.02Å; I105-F138 HydrophobicContact CB-CE1 3.96Å; I105-F138 HydrophobicContact CB-CZ 4.16Å; I105-F138 HydrophobicContact CG1-CZ 4.3Å; I105-I162 HydrophobicContact CD1-CB 3.87Å; I105-I162 HydrophobicContact CD1-CD1 3.14Å; I105-I162 HydrophobicContact CD1-CG1 4.04Å; I105-I162 HydrophobicContact CD1-CG2 3.97Å; I105-A166 PolarHBondContact N-O 3.25Å; I105-A166 VanDerWaalsContact N-O 3.12Å |
| 106 | E | 87.3 | Confident | 88.8 | Confident | 72 Ų | 72 | 56.2 Ų | 56.2 | 34% | 0.336 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -64.9 | -38.2 | 179.4 | -53.2 | 80.8 | -175.6 | 0 | 0 | 111 | T104 D109 Q110 H164 G165 | T104-E106 VanDerWaalsContact C-N 3.25Å; T104-E106 WeakPolarHBondContact CB-OE2 3.16Å; T104-E106 PolarHBondContact O-N 3.09Å; T104-E106 PolarHBondContact OG1-OE2 2.89Å; E106-D109 PolarHBondContact O-N 2.9Å; E106-Q110 VanDerWaalsContact O-CB 3.3Å; E106-Q110 WeakPolarHBondContact O-CB 3.31Å; E106-Q110 PolarHBondContact O-N 3.29Å; E106-H164 VanDerWaalsContact OE1-CA 3.29Å; E106-H164 WeakPolarHBondContact OE1-CA 3.45Å; E106-H164 IonicContact OE1-CD2 2.72Å; E106-G165 PolarHBondContact OE1-N 2.93Å; E106-G165 VanDerWaalsContact OE1-N 3.11Å |
| 107 | Q | 90.9 | Very high | 87.7 | Confident | 38 Ų | 38 | 58.8 Ų | 58.8 | 18% | 0.178 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -65.9 | -38.7 | 174.5 | -176.9 | 61 | 51.5 | 0 | 0 | 111.6 | F96 I101 T104 I105 S111 | F96-Q107 HydrophobicContact CB-CG 4.17Å; F96-Q107 WeakPolarHBondContact O-CG 3.22Å; I101-Q107 HydrophobicContact CG2-CG 4.03Å; T104-Q107 WeakPolarHBondContact O-CB 3.33Å; T104-Q107 PolarHBondContact O-N 3.38Å; T104-Q107 VanDerWaalsContact O-N 3.15Å; T104-Q107 PolarHBondContact OG1-N 3.04Å; I105-Q107 VanDerWaalsContact C-N 3.3Å; I105-Q107 PolarHBondContact O-N 2.64Å; Q107-S111 PolarHBondContact NE2-OG 3.49Å; Q107-S111 VanDerWaalsContact NE2-OG 3.15Å; Q107-S111 VanDerWaalsContact O-CB 3.31Å; Q107-S111 WeakPolarHBondContact O-CB 3.46Å; Q107-S111 PolarHBondContact O-N 2.87Å; Q107-S111 PolarHBondContact O-OG 2.81Å |
| 108 | I | 91.4 | Very high | 86.6 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -65.5 | -47.7 | 175.3 | -64.7 | -51.4 | 0 | 0 | 0 | 110.5 | F96 T104 I105 Q110 S111 F112 L129 F131 F136 F138 V168 | F96-I108 HydrophobicContact CD2-CD1 3.66Å; F96-I108 HydrophobicContact CE2-CD1 4.03Å; T104-I108 WeakPolarHBondContact O-CG1 3.16Å; T104-I108 PolarHBondContact O-N 3.3Å; I105-I108 PolarHBondContact O-N 3.3Å; I105-I108 VanDerWaalsContact O-N 3.12Å; I108-Q110 VanDerWaalsContact C-N 3.31Å; I108-Q110 PolarHBondContact O-N 2.87Å; I108-S111 PolarHBondContact O-N 2.89Å; I108-S111 VanDerWaalsContact O-N 3.08Å; I108-F112 HydrophobicContact CD1-CD2 4.42Å; I108-F112 HydrophobicContact CD1-CE2 4.19Å; I108-F112 HydrophobicContact CG2-CD2 4.01Å; I108-F112 WeakPolarHBondContact O-CD2 3.43Å; I108-F112 PolarHBondContact O-N 2.7Å; I108-L129 HydrophobicContact CG2-CD2 4.05Å; I108-F131 HydrophobicContact CG2-CE2 3.98Å; I108-F131 HydrophobicContact CG2-CZ 4.14Å; I108-F136 HydrophobicContact CD1-CD1 4.18Å; I108-F136 HydrophobicContact CD1-CE1 3.76Å; I108-F136 HydrophobicContact CD1-CE2 4.32Å; I108-F136 HydrophobicContact CD1-CZ 3.82Å; I108-F136 HydrophobicContact CG2-CD2 3.65Å; I108-F136 HydrophobicContact CG2-CE2 3.59Å; I108-F136 HydrophobicContact CG2-CG 4.29Å; I108-F136 HydrophobicContact CG2-CZ 4.21Å; I108-F138 HydrophobicContact CG1-CZ 4.35Å; I108-V168 HydrophobicContact CD1-CG2 4.16Å; I108-V168 HydrophobicContact CG1-CG2 3.81Å |
| 109 | D | 88.4 | Confident | 85.9 | Confident | 69 Ų | 69 | 62.1 Ų | 62.1 | 37% | 0.369 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -61.6 | -39.5 | 177.8 | -71.9 | -15.6 | 0 | 0 | 0 | 111.7 | I105 E106 S111 G113 | I105-D109 PolarHBondContact O-N 3.02Å; E106-D109 PolarHBondContact O-N 2.9Å; D109-S111 VanDerWaalsContact C-N 3.31Å; D109-S111 PolarHBondContact O-N 3.24Å; D109-G113 WeakPolarHBondContact O-CA 3.3Å; D109-G113 PolarHBondContact O-N 3.14Å |
| 110 | Q | 90.6 | Very high | 85.3 | Confident | 155 Ų | 155 | 57.3 Ų | 57.3 | 72% | 0.724 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -64.6 | -35.6 | 174.7 | -174.7 | 179.1 | 9.1 | 0 | 0 | 112.3 | E106 I108 | E106-Q110 VanDerWaalsContact O-CB 3.3Å; E106-Q110 WeakPolarHBondContact O-CB 3.31Å; E106-Q110 PolarHBondContact O-N 3.29Å; I108-Q110 VanDerWaalsContact C-N 3.31Å; I108-Q110 PolarHBondContact O-N 2.87Å |
| 111 | S | 92.5 | Very high | 84.5 | Confident | 29 Ų | 29 | 54.9 Ų | 54.9 | 20% | 0.203 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -85.7 | -39.5 | -174 | -53.8 | 0 | 0 | 0 | 0 | 112.7 | Y91 F96 Q107 I108 D109 | Y91-S111 VanDerWaalsContact CD1-O 3.29Å; Y91-S111 WeakPolarHBondContact CD1-O 3.37Å; Y91-S111 WeakPolarHBondContact CE1-O 3.21Å; F96-S111 WeakPolarHBondContact CB-OG 3.3Å; Q107-S111 PolarHBondContact NE2-OG 3.49Å; Q107-S111 VanDerWaalsContact NE2-OG 3.15Å; Q107-S111 VanDerWaalsContact O-CB 3.31Å; Q107-S111 WeakPolarHBondContact O-CB 3.46Å; Q107-S111 PolarHBondContact O-N 2.87Å; Q107-S111 PolarHBondContact O-OG 2.81Å; I108-S111 PolarHBondContact O-N 2.89Å; I108-S111 VanDerWaalsContact O-N 3.08Å; D109-S111 VanDerWaalsContact C-N 3.31Å; D109-S111 PolarHBondContact O-N 3.24Å |
| 112 | F | 90.9 | Very high | 83.6 | Confident | 30 Ų | 30 | 56.2 Ų | 56.2 | 13% | 0.132 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -110.8 | -9.9 | -172.1 | -63.6 | -84.7 | 0 | 0 | 0 | 113.6 | Y91 F96 I108 F131 L134 F136 | Y91-F112 AromaticContact CD1-CD1 3.84Å; Y91-F112 HydrophobicContact CD1-CD1 3.84Å; Y91-F112 AromaticContact CD1-CE1 3.66Å; Y91-F112 HydrophobicContact CD1-CE1 3.66Å; Y91-F112 HydrophobicContact CD1-CG 4.47Å; Y91-F112 HydrophobicContact CD1-CZ 4.16Å; Y91-F112 HydrophobicContact CD2-CD1 4.3Å; Y91-F112 AromaticContact CD2-CE1 3.57Å; Y91-F112 HydrophobicContact CD2-CE1 3.57Å; Y91-F112 HydrophobicContact CD2-CZ 4.25Å; Y91-F112 AromaticContact CE1-CD1 3.84Å; Y91-F112 HydrophobicContact CE1-CD1 3.84Å; Y91-F112 HydrophobicContact CE1-CE1 4.04Å; Y91-F112 HydrophobicContact CE2-CD1 4.32Å; Y91-F112 AromaticContact CE2-CE1 3.96Å; Y91-F112 HydrophobicContact CE2-CE1 3.96Å; Y91-F112 HydrophobicContact CG-CD1 4.06Å; Y91-F112 AromaticContact CG-CE1 3.4Å; Y91-F112 HydrophobicContact CG-CE1 3.4Å; Y91-F112 VanDerWaalsContact CG-CE1 3.4Å; Y91-F112 AromaticContact CG-CZ 3.77Å; Y91-F112 HydrophobicContact CG-CZ 3.77Å; F96-F112 HydrophobicContact CD1-CE2 4.13Å; F96-F112 HydrophobicContact CD1-CZ 4.13Å; F96-F112 HydrophobicContact CD2-CE2 4.33Å; F96-F112 HydrophobicContact CE1-CE2 4.22Å; F96-F112 AromaticContact CE1-CZ 3.9Å; F96-F112 HydrophobicContact CE1-CZ 3.9Å; F96-F112 HydrophobicContact CE2-CE2 4.42Å; F96-F112 HydrophobicContact CG-CE2 4.17Å; F96-F112 HydrophobicContact CZ-CE2 4.36Å; F96-F112 HydrophobicContact CZ-CZ 4.19Å; I108-F112 HydrophobicContact CD1-CD2 4.42Å; I108-F112 HydrophobicContact CD1-CE2 4.19Å; I108-F112 HydrophobicContact CG2-CD2 4.01Å; I108-F112 WeakPolarHBondContact O-CD2 3.43Å; I108-F112 PolarHBondContact O-N 2.7Å; F112-F131 HydrophobicContact CB-CD1 4.1Å; F112-F131 HydrophobicContact CB-CE1 3.54Å; F112-F131 HydrophobicContact CB-CE2 4.32Å; F112-F131 HydrophobicContact CB-CZ 3.68Å; F112-L134 HydrophobicContact CD1-CD2 3.57Å; F112-L134 HydrophobicContact CE1-CD2 3.36Å; F112-L134 HydrophobicContact CE2-CD2 4.44Å; F112-L134 HydrophobicContact CG-CD2 4.2Å; F112-L134 HydrophobicContact CZ-CD2 3.85Å; F112-F136 HydrophobicContact CD2-CE2 4.02Å; F112-F136 AromaticContact CD2-CZ 3.98Å; F112-F136 HydrophobicContact CD2-CZ 3.98Å; F112-F136 HydrophobicContact CE2-CE2 4.09Å; F112-F136 AromaticContact CE2-CZ 3.57Å; F112-F136 HydrophobicContact CE2-CZ 3.57Å; F112-F136 HydrophobicContact CG-CE2 4.43Å; F112-F136 AromaticContact CZ-CZ 3.91Å; F112-F136 HydrophobicContact CZ-CZ 3.91Å |
| 113 | G | 86.4 | Confident | 82.8 | Confident | 31 Ų | 31 | 57.8 Ų | 57.8 | 32% | 0.32 | 35% | 0.345 | S | S | . | . | trans | 81.2 | -169.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | D109 F131 | D109-G113 WeakPolarHBondContact O-CA 3.3Å; D109-G113 PolarHBondContact O-N 3.14Å; G113-F131 WeakPolarHBondContact O-CE1 3.13Å | ||
| 114 | A | 77 | Confident | 81.9 | Confident | 106 Ų | 106 | 61.8 Ų | 61.8 | 88% | 0.876 | 36% | 0.363 | S | S | * | . | trans | -69.3 | 146.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 115 | T | 78.3 | Confident | 81.3 | Confident | 47 Ų | 47 | 65.6 Ų | 65.6 | 29% | 0.288 | 38% | 0.378 | S | S | . | . | trans | -140 | 177.7 | 176.7 | -162.2 | 0 | 0 | 0 | 0 | 112.8 | L129 N130 F131 | T115-L129 HydrophobicContact CG2-CD1 3.3Å; T115-L129 HydrophobicContact CG2-CD2 4.2Å; T115-L129 HydrophobicContact CG2-CG 3.57Å; T115-N130 PolarHBondContact OG1-O 3.07Å; T115-F131 HydrophobicContact CG2-CD1 4.42Å; T115-F131 HydrophobicContact CG2-CE1 3.98Å; T115-F131 HydrophobicContact CG2-CE2 4.17Å; T115-F131 HydrophobicContact CG2-CZ 3.83Å | ||
| 116 | H | 70.9 | Confident | 81 | Confident | 152 Ų | 152 | 65.1 Ų | 65.1 | 70% | 0.704 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -58.9 | 151.9 | 173.3 | -70.1 | -68.2 | 0 | 0 | 0 | 111.4 | G118 | H116-G118 PolarHBondContact O-N 2.99Š|
| 117 | P | 71.9 | Confident | 80.8 | Confident | 54 Ų | 54 | 62 Ų | 62 | 35% | 0.351 | 36% | 0.361 | S | S | . | . | P | Polyproline II helix | trans | -53.1 | 130.3 | 177.3 | -27.3 | 37.2 | 0 | 0 | 0 | 110.7 | L157 | P117-L157 HydrophobicContact CG-CB 4Å; P117-L157 HydrophobicContact CG-CD1 4.05Å; P117-L157 HydrophobicContact CG-CD2 4.01Å; P117-L157 HydrophobicContact CG-CG 4.22Å |
| 118 | G | 73.4 | Confident | 80.5 | Confident | 12 Ų | 12 | 61.2 Ų | 61.2 | 12% | 0.124 | 36% | 0.358 | C | S | . | . | P | Polyproline II helix | trans | -68.5 | 152.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112 | H116 F127 H128 | H116-G118 PolarHBondContact O-N 2.99Å; G118-F127 VanDerWaalsContact C-CE2 3.47Å; G118-F127 WeakPolarHBondContact O-CE2 3.47Å; G118-H128 CarbonylContact C-O 3.54Å; G118-H128 WeakPolarHBondContact CA-O 3.38Å |
| 119 | V | 80.1 | Confident | 80.4 | Confident | 86 Ų | 86 | 61.8 Ų | 61.8 | 52% | 0.521 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 125.2 | -172 | -178.5 | 0 | 0 | 0 | 0 | 108.5 | H128 | V119-H128 PolarHBondContact N-O 2.88Å; V119-H128 PolarHBondContact O-N 3.06Å |
| 120 | Y | 77.6 | Confident | 80.4 | Confident | 61 Ų | 61 | 60.9 Ų | 60.9 | 24% | 0.239 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 126.5 | 174.7 | 177.3 | -110.3 | 0 | 0 | 0 | 111 | Q125 L140 | Y120-Q125 PolarHBondContact OH-NE2 2.84Å; Y120-Q125 VanDerWaalsContact OH-NE2 3.09Å; Y120-Q125 PolarHBondContact OH-OE1 2.82Å; Y120-L140 HydrophobicContact CD2-CD2 4.05Å; Y120-L140 HydrophobicContact CE2-CD1 4.45Å; Y120-L140 HydrophobicContact CE2-CD2 3.73Å |
| 121 | N | 75.6 | Confident | 80.4 | Confident | 46 Ų | 46 | 54.7 Ų | 54.7 | 25% | 0.246 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 105.8 | 173.6 | -174.4 | -15.5 | 0 | 0 | 0 | 109.6 | A123 E124 Q125 L126 | N121-A123 VanDerWaalsContact C-N 3.28Å; N121-A123 PolarHBondContact O-N 2.65Å; N121-A123 WeakPolarHBondContact OD1-CB 3.41Å; N121-A123 PolarHBondContact OD1-N 3.15Å; N121-E124 PolarHBondContact O-N 3.03Å; N121-E124 PolarHBondContact OD1-N 2.91Å; N121-Q125 WeakPolarHBondContact O-CA 3.5Å; N121-Q125 PolarHBondContact O-N 2.89Å; N121-L126 PolarHBondContact N-O 2.95Å; N121-L126 PolarHBondContact O-N 2.82Å |
| 122 | S | 73.2 | Confident | 80.2 | Confident | 82 Ų | 82 | 60.8 Ų | 60.8 | 57% | 0.573 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -25.8 | -179.6 | 57.9 | 0 | 0 | 0 | 0 | 113.7 | Q125 | S122-Q125 PolarHBondContact O-NE2 2.83Š|
| 123 | A | 75.8 | Confident | 80.2 | Confident | 88 Ų | 88 | 59.4 Ų | 59.4 | 73% | 0.727 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -39.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | N121 | N121-A123 VanDerWaalsContact C-N 3.28Å; N121-A123 PolarHBondContact O-N 2.65Å; N121-A123 WeakPolarHBondContact OD1-CB 3.41Å; N121-A123 PolarHBondContact OD1-N 3.15Å |
| 124 | E | 71.9 | Confident | 80.6 | Confident | 97 Ų | 97 | 57.9 Ų | 57.9 | 45% | 0.453 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | -11.8 | 179.6 | -62 | -166.6 | 162.1 | 0 | 0 | 113.1 | N121 L126 H128 | N121-E124 PolarHBondContact O-N 3.03Å; N121-E124 PolarHBondContact OD1-N 2.91Å; E124-L126 HydrophobicContact CB-CB 4.11Å; E124-L126 HydrophobicContact CB-CD1 4.07Å; E124-L126 HydrophobicContact CB-CG 3.94Å; E124-L126 PolarHBondContact O-N 2.83Å; E124-H128 IonicContact OE2-CE1 2.76Å; E124-H128 IonicContact OE2-NE2 3.46Å |
| 125 | Q | 76.7 | Confident | 81.3 | Confident | 108 Ų | 108 | 52.9 Ų | 52.9 | 51% | 0.505 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.5 | 33.3 | -169.1 | -61.2 | -71.3 | -51.5 | 0 | 0 | 111.6 | Y120 N121 S122 | Y120-Q125 PolarHBondContact OH-NE2 2.84Å; Y120-Q125 VanDerWaalsContact OH-NE2 3.09Å; Y120-Q125 PolarHBondContact OH-OE1 2.82Å; N121-Q125 WeakPolarHBondContact O-CA 3.5Å; N121-Q125 PolarHBondContact O-N 2.89Å; S122-Q125 PolarHBondContact O-NE2 2.83Å |
| 126 | L | 80.8 | Confident | 82 | Confident | 4 Ų | 4 | 50.7 Ų | 50.7 | 2% | 0.021 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 141.3 | -179.2 | -65.4 | -179.6 | 0 | 0 | 0 | 110.3 | N121 E124 F138 Q139 K169 | N121-L126 PolarHBondContact N-O 2.95Å; N121-L126 PolarHBondContact O-N 2.82Å; E124-L126 HydrophobicContact CB-CB 4.11Å; E124-L126 HydrophobicContact CB-CD1 4.07Å; E124-L126 HydrophobicContact CB-CG 3.94Å; E124-L126 PolarHBondContact O-N 2.83Å; L126-F138 WeakPolarHBondContact CA-O 3.47Å; L126-F138 WeakPolarHBondContact CD2-O 3.45Å; L126-Q139 HydrophobicContact CD2-CB 4.3Å; L126-K169 HydrophobicContact CD2-CD 3.82Å |
| 127 | F | 82.5 | Confident | 83 | Confident | 6 Ų | 6 | 43.4 Ų | 43.4 | 3% | 0.026 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 127.5 | 169.6 | 177.2 | -90.2 | 0 | 0 | 0 | 109.6 | G118 S137 F138 L140 L160 I162 | G118-F127 VanDerWaalsContact C-CE2 3.47Å; G118-F127 WeakPolarHBondContact O-CE2 3.47Å; F127-S137 CarbonylContact O-C 3.57Å; F127-S137 VanDerWaalsContact O-CA 3.3Å; F127-S137 WeakPolarHBondContact O-CA 3.33Å; F127-F138 HydrophobicContact CD1-CD2 4.08Å; F127-F138 PolarHBondContact N-O 3.25Å; F127-F138 PolarHBondContact O-N 3.45Å; F127-L140 HydrophobicContact CB-CD1 3.58Å; F127-L160 HydrophobicContact CD2-CB 4.48Å; F127-L160 HydrophobicContact CD2-CD1 4.16Å; F127-L160 HydrophobicContact CE2-CB 3.82Å; F127-L160 HydrophobicContact CE2-CD1 3.93Å; F127-I162 HydrophobicContact CD1-CD1 3.83Å; F127-I162 HydrophobicContact CD1-CG1 4.04Å; F127-I162 HydrophobicContact CE1-CD1 3.11Å; F127-I162 HydrophobicContact CE1-CG1 3.77Å; F127-I162 HydrophobicContact CE2-CD1 4.19Å; F127-I162 HydrophobicContact CE2-CG1 4.31Å; F127-I162 HydrophobicContact CG-CG1 4.43Å; F127-I162 HydrophobicContact CZ-CD1 3.3Å; F127-I162 HydrophobicContact CZ-CG1 3.88Å |
| 128 | H | 85.6 | Confident | 83.8 | Confident | 23 Ų | 23 | 41 Ų | 41 | 11% | 0.106 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 122.3 | -177.1 | -58.6 | -80.1 | 0 | 0 | 0 | 111.1 | G118 V119 E124 F136 S137 | G118-H128 CarbonylContact C-O 3.54Å; G118-H128 WeakPolarHBondContact CA-O 3.38Å; V119-H128 PolarHBondContact N-O 2.88Å; V119-H128 PolarHBondContact O-N 3.06Å; E124-H128 IonicContact OE2-CE1 2.76Å; E124-H128 IonicContact OE2-NE2 3.46Å; H128-F136 CarbonylContact C-O 3.42Å; H128-F136 WeakPolarHBondContact CA-O 3.46Å; H128-S137 PolarHBondContact CE1-OG 3.12Å; H128-S137 VanDerWaalsContact CE1-OG 3.22Å; H128-S137 PolarHBondContact ND1-OG 3.42Å |
| 129 | L | 88.4 | Confident | 83.9 | Confident | 11 Ų | 11 | 43.8 Ų | 43.8 | 6% | 0.058 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 114.3 | 167.3 | -166.3 | 68.2 | 0 | 0 | 0 | 108.1 | I108 T115 F131 S135 F136 F138 | I108-L129 HydrophobicContact CG2-CD2 4.05Å; T115-L129 HydrophobicContact CG2-CD1 3.3Å; T115-L129 HydrophobicContact CG2-CD2 4.2Å; T115-L129 HydrophobicContact CG2-CG 3.57Å; L129-F131 HydrophobicContact CD2-CE2 3.75Å; L129-F131 HydrophobicContact CD2-CZ 4Å; L129-F131 HydrophobicContact CG-CE2 3.89Å; L129-F131 HydrophobicContact CG-CZ 4.36Å; L129-S135 CarbonylContact O-C 3.53Å; L129-S135 WeakPolarHBondContact O-CA 3.46Å; L129-F136 HydrophobicContact CB-CB 4.47Å; L129-F136 PolarHBondContact N-O 2.91Å; L129-F136 PolarHBondContact O-N 3.14Å; L129-F138 HydrophobicContact CB-CE2 3.9Å; L129-F138 HydrophobicContact CD2-CE2 4.47Å |
| 130 | N | 88.4 | Confident | 83.3 | Confident | 51 Ų | 51 | 41 Ų | 41 | 27% | 0.273 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 130.9 | -173.8 | -63.9 | -48 | 0 | 0 | 0 | 110.2 | T115 S135 | T115-N130 PolarHBondContact OG1-O 3.07Å; N130-S135 WeakPolarHBondContact OD1-CB 3.32Å |
| 131 | F | 89.8 | Confident | 82.3 | Confident | 24 Ų | 24 | 44.1 Ų | 44.1 | 11% | 0.105 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 169.6 | 167 | -63.2 | -96.6 | 0 | 0 | 0 | 108.3 | I108 F112 G113 T115 L129 G133 L134 F136 Y174 | I108-F131 HydrophobicContact CG2-CE2 3.98Å; I108-F131 HydrophobicContact CG2-CZ 4.14Å; F112-F131 HydrophobicContact CB-CD1 4.1Å; F112-F131 HydrophobicContact CB-CE1 3.54Å; F112-F131 HydrophobicContact CB-CE2 4.32Å; F112-F131 HydrophobicContact CB-CZ 3.68Å; G113-F131 WeakPolarHBondContact O-CE1 3.13Å; T115-F131 HydrophobicContact CG2-CD1 4.42Å; T115-F131 HydrophobicContact CG2-CE1 3.98Å; T115-F131 HydrophobicContact CG2-CE2 4.17Å; T115-F131 HydrophobicContact CG2-CZ 3.83Å; L129-F131 HydrophobicContact CD2-CE2 3.75Å; L129-F131 HydrophobicContact CD2-CZ 4Å; L129-F131 HydrophobicContact CG-CE2 3.89Å; L129-F131 HydrophobicContact CG-CZ 4.36Å; F131-G133 PolarHBondContact O-N 3.35Å; F131-G133 VanDerWaalsContact O-N 3.13Å; F131-L134 CarbonylContact C-O 3.55Å; F131-L134 WeakPolarHBondContact CA-O 3.46Å; F131-L134 HydrophobicContact CB-CB 4.11Å; F131-L134 HydrophobicContact CD2-CD2 4.49Å; F131-L134 PolarHBondContact N-O 3.4Å; F131-L134 PolarHBondContact O-N 3.11Å; F131-F136 AromaticContact CD2-CD2 3.95Å; F131-F136 HydrophobicContact CD2-CD2 3.95Å; F131-F136 AromaticContact CD2-CE2 3.95Å; F131-F136 HydrophobicContact CD2-CE2 3.95Å; F131-F136 AromaticContact CE2-CD2 3.73Å; F131-F136 HydrophobicContact CE2-CD2 3.73Å; F131-F136 AromaticContact CE2-CE2 3.81Å; F131-F136 HydrophobicContact CE2-CE2 3.81Å; F131-Y174 PolarHBondContact O-OH 3.43Å |
| 132 | R | 89.8 | Confident | 81 | Confident | 158 Ų | 158 | 46.4 Ų | 46.4 | 60% | 0.596 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | 117.1 | 170.8 | -179.1 | 175.3 | 172.6 | 116.3 | 11.2 | 109.7 | E9 L134 | E9-R132 HydrophobicContact CG-CG 4.16Å; E9-R132 WeakPolarHBondContact OE1-CG 3.44Å; E9-R132 IonicContact OE1-CZ 3.33Å; E9-R132 IonicContact OE1-NE 3.28Å; E9-R132 PolarHBondContact OE1-NE 2.85Å; E9-R132 IonicContact OE1-NH2 2.81Å; E9-R132 PolarHBondContact OE1-NH2 2.95Å; E9-R132 IonicContact OE2-CZ 2.66Å; E9-R132 IonicContact OE2-NE 3.39Å; E9-R132 PolarHBondContact OE2-NE 3.34Å; E9-R132 IonicContact OE2-NH2 2.89Å; E9-R132 PolarHBondContact OE2-NH2 3.48Å; R132-L134 VanDerWaalsContact C-N 3.26Å; R132-L134 PolarHBondContact O-N 3.27Å |
| 133 | G | 91.1 | Very high | 80 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 71.2 | 11.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | E9 F131 I173 Y174 G176 | E9-G133 VanDerWaalsContact CG-CA 3.47Å; E9-G133 PolarHBondContact N-O 3.16Å; F131-G133 PolarHBondContact O-N 3.35Å; F131-G133 VanDerWaalsContact O-N 3.13Å; G133-I173 WeakPolarHBondContact O-CA 3.32Å; G133-Y174 CarbonylContact C-O 3.54Å; G133-Y174 WeakPolarHBondContact CA-O 3.48Å; G133-Y174 PolarHBondContact O-N 2.94Å; G133-Y174 VanDerWaalsContact O-N 3.14Å; G133-G176 WeakPolarHBondContact CA-O 3.23Å; G133-G176 PolarHBondContact N-O 3.38Å |
| 134 | L | 93.6 | Very high | 78.6 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 138.5 | -176.7 | -180 | 72.8 | 0 | 0 | 0 | 109.8 | V6 P8 F112 F131 R132 F136 M171 Y172 I173 | V6-L134 HydrophobicContact CG1-CD1 4.34Å; P8-L134 HydrophobicContact CB-CB 4.38Å; P8-L134 HydrophobicContact CG-CD2 4.38Å; F112-L134 HydrophobicContact CD1-CD2 3.57Å; F112-L134 HydrophobicContact CE1-CD2 3.36Å; F112-L134 HydrophobicContact CE2-CD2 4.44Å; F112-L134 HydrophobicContact CG-CD2 4.2Å; F112-L134 HydrophobicContact CZ-CD2 3.85Å; F131-L134 CarbonylContact C-O 3.55Å; F131-L134 WeakPolarHBondContact CA-O 3.46Å; F131-L134 HydrophobicContact CB-CB 4.11Å; F131-L134 HydrophobicContact CD2-CD2 4.49Å; F131-L134 PolarHBondContact N-O 3.4Å; F131-L134 PolarHBondContact O-N 3.11Å; R132-L134 VanDerWaalsContact C-N 3.26Å; R132-L134 PolarHBondContact O-N 3.27Å; L134-F136 HydrophobicContact CD1-CE2 4.38Å; L134-F136 HydrophobicContact CD1-CZ 4.08Å; L134-F136 HydrophobicContact CD2-CD2 4.46Å; L134-F136 HydrophobicContact CD2-CE2 3.38Å; L134-F136 HydrophobicContact CD2-CZ 3.51Å; L134-F136 HydrophobicContact CG-CD2 4.41Å; L134-F136 HydrophobicContact CG-CE2 3.72Å; L134-F136 HydrophobicContact CG-CZ 3.9Å; L134-M171 HydrophobicContact CD1-CE 3.26Å; L134-M171 HydrophobicContact CD1-CG 3.85Å; L134-M171 HydrophobicContact CD1-SD 4.31Å; L134-Y172 CarbonylContact C-O 3.6Å; L134-Y172 VanDerWaalsContact CA-O 3.24Å; L134-Y172 WeakPolarHBondContact CA-O 3.44Å; L134-Y172 WeakPolarHBondContact CD1-O 3.31Å; L134-I173 HydrophobicContact CD1-CG1 4.05Å |
| 135 | S | 93.3 | Very high | 77.1 | Confident | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.007 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 148.9 | 168.9 | 63.9 | 0 | 0 | 0 | 0 | 111.7 | L129 N130 M171 Y172 | L129-S135 CarbonylContact O-C 3.53Å; L129-S135 WeakPolarHBondContact O-CA 3.46Å; N130-S135 WeakPolarHBondContact OD1-CB 3.32Å; S135-M171 CarbonylContact O-C 3.51Å; S135-M171 VanDerWaalsContact O-CA 3.26Å; S135-M171 WeakPolarHBondContact O-CA 3.25Å; S135-Y172 PolarHBondContact N-O 3.36Å; S135-Y172 PolarHBondContact O-N 3.02Å; S135-Y172 WeakPolarHBondContact OG-CB 3.35Å; S135-Y172 WeakPolarHBondContact OG-CD2 3.18Å |
| 136 | F | 93 | Very high | 75.5 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 130.6 | 178 | -61.9 | -79.1 | 0 | 0 | 0 | 109.9 | F96 I108 F112 H128 L129 F131 L134 F138 V168 R170 M171 | F96-F136 HydrophobicContact CE2-CE1 4.22Å; I108-F136 HydrophobicContact CD1-CD1 4.18Å; I108-F136 HydrophobicContact CD1-CE1 3.76Å; I108-F136 HydrophobicContact CD1-CE2 4.32Å; I108-F136 HydrophobicContact CD1-CZ 3.82Å; I108-F136 HydrophobicContact CG2-CD2 3.65Å; I108-F136 HydrophobicContact CG2-CE2 3.59Å; I108-F136 HydrophobicContact CG2-CG 4.29Å; I108-F136 HydrophobicContact CG2-CZ 4.21Å; F112-F136 HydrophobicContact CD2-CE2 4.02Å; F112-F136 AromaticContact CD2-CZ 3.98Å; F112-F136 HydrophobicContact CD2-CZ 3.98Å; F112-F136 HydrophobicContact CE2-CE2 4.09Å; F112-F136 AromaticContact CE2-CZ 3.57Å; F112-F136 HydrophobicContact CE2-CZ 3.57Å; F112-F136 HydrophobicContact CG-CE2 4.43Å; F112-F136 AromaticContact CZ-CZ 3.91Å; F112-F136 HydrophobicContact CZ-CZ 3.91Å; H128-F136 CarbonylContact C-O 3.42Å; H128-F136 WeakPolarHBondContact CA-O 3.46Å; L129-F136 HydrophobicContact CB-CB 4.47Å; L129-F136 PolarHBondContact N-O 2.91Å; L129-F136 PolarHBondContact O-N 3.14Å; F131-F136 AromaticContact CD2-CD2 3.95Å; F131-F136 HydrophobicContact CD2-CD2 3.95Å; F131-F136 AromaticContact CD2-CE2 3.95Å; F131-F136 HydrophobicContact CD2-CE2 3.95Å; F131-F136 AromaticContact CE2-CD2 3.73Å; F131-F136 HydrophobicContact CE2-CD2 3.73Å; F131-F136 AromaticContact CE2-CE2 3.81Å; F131-F136 HydrophobicContact CE2-CE2 3.81Å; L134-F136 HydrophobicContact CD1-CE2 4.38Å; L134-F136 HydrophobicContact CD1-CZ 4.08Å; L134-F136 HydrophobicContact CD2-CD2 4.46Å; L134-F136 HydrophobicContact CD2-CE2 3.38Å; L134-F136 HydrophobicContact CD2-CZ 3.51Å; L134-F136 HydrophobicContact CG-CD2 4.41Å; L134-F136 HydrophobicContact CG-CE2 3.72Å; L134-F136 HydrophobicContact CG-CZ 3.9Å; F136-F138 HydrophobicContact CB-CE2 3.71Å; F136-F138 HydrophobicContact CB-CZ 4.07Å; F136-V168 HydrophobicContact CB-CG1 4.39Å; F136-V168 HydrophobicContact CB-CG2 4.19Å; F136-V168 HydrophobicContact CD1-CG1 3.85Å; F136-V168 HydrophobicContact CD1-CG2 3.91Å; F136-V168 HydrophobicContact CG-CG2 4.34Å; F136-R170 CarbonylContact C-O 3.57Å; F136-R170 WeakPolarHBondContact CA-O 3.3Å; F136-M171 HydrophobicContact CD1-CB 3.91Å; F136-M171 HydrophobicContact CD1-CG 3.87Å; F136-M171 HydrophobicContact CE1-CB 4.05Å; F136-M171 HydrophobicContact CE1-CG 3.58Å; F136-M171 HydrophobicContact CE1-SD 3.78Å; F136-M171 HydrophobicContact CZ-CG 4.4Å; F136-M171 HydrophobicContact CZ-SD 4.49Å |
| 137 | S | 90.9 | Very high | 73.9 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 128.4 | 176.7 | -51 | 0 | 0 | 0 | 0 | 109.9 | F127 H128 K169 R170 | F127-S137 CarbonylContact O-C 3.57Å; F127-S137 VanDerWaalsContact O-CA 3.3Å; F127-S137 WeakPolarHBondContact O-CA 3.33Å; H128-S137 PolarHBondContact CE1-OG 3.12Å; H128-S137 VanDerWaalsContact CE1-OG 3.22Å; H128-S137 PolarHBondContact ND1-OG 3.42Å; S137-K169 WeakPolarHBondContact O-CA 3.14Å; S137-K169 WeakPolarHBondContact O-CB 3.34Å; S137-K169 PolarHBondContact O-N 3.48Å; S137-R170 PolarHBondContact N-O 3.35Å; S137-R170 PolarHBondContact O-N 3.22Å |
| 138 | F | 87.8 | Confident | 72 | Confident | 2 Ų | 2 | 59.1 Ų | 59.1 | 1% | 0.009 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 142.6 | 179.4 | -59.4 | -96.5 | 0 | 0 | 0 | 110 | I105 I108 L126 F127 L129 F136 A166 T167 V168 | I105-F138 HydrophobicContact CB-CE1 3.96Å; I105-F138 HydrophobicContact CB-CZ 4.16Å; I105-F138 HydrophobicContact CG1-CZ 4.3Å; I108-F138 HydrophobicContact CG1-CZ 4.35Å; L126-F138 WeakPolarHBondContact CA-O 3.47Å; L126-F138 WeakPolarHBondContact CD2-O 3.45Å; F127-F138 HydrophobicContact CD1-CD2 4.08Å; F127-F138 PolarHBondContact N-O 3.25Å; F127-F138 PolarHBondContact O-N 3.45Å; L129-F138 HydrophobicContact CB-CE2 3.9Å; L129-F138 HydrophobicContact CD2-CE2 4.47Å; F136-F138 HydrophobicContact CB-CE2 3.71Å; F136-F138 HydrophobicContact CB-CZ 4.07Å; F138-A166 HydrophobicContact CD1-CB 4.3Å; F138-T167 WeakPolarHBondContact CD1-O 3.2Å; F138-V168 HydrophobicContact CD1-CG2 4.18Å; F138-V168 HydrophobicContact CE1-CB 4.35Å; F138-V168 HydrophobicContact CE1-CG2 3.43Å; F138-V168 VanDerWaalsContact CE1-CG2 3.43Å; F138-V168 HydrophobicContact CE2-CG2 4.44Å; F138-V168 HydrophobicContact CZ-CG2 3.59Å |
| 139 | Q | 76.6 | Confident | 70 | Confident | 72 Ų | 72 | 65.5 Ų | 65.5 | 34% | 0.336 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 136.7 | 176 | -165.9 | 169.6 | -23.8 | 0 | 0 | 110.9 | L126 D141 K169 | L126-Q139 HydrophobicContact CD2-CB 4.3Å; Q139-D141 VanDerWaalsContact CD-CG 3.49Å; Q139-D141 VanDerWaalsContact CD-OD1 3.27Å; Q139-D141 VanDerWaalsContact CG-OD1 3.3Å; Q139-D141 WeakPolarHBondContact CG-OD1 3.42Å; Q139-D141 WeakPolarHBondContact CG-OD2 3.35Å; Q139-D141 PolarHBondContact NE2-OD1 3.49Å; Q139-D141 PolarHBondContact NE2-OD2 2.71Å; Q139-D141 PolarHBondContact O-N 3.48Å; Q139-K169 HydrophobicContact CB-CB 4.47Å; Q139-K169 HydrophobicContact CB-CD 4.15Å; Q139-K169 VanDerWaalsContact CD-NZ 3.3Å; Q139-K169 HydrophobicContact CG-CD 4.49Å; Q139-K169 VanDerWaalsContact OE1-CD 3.31Å |
| 140 | L | 68.3 | Low | 67.6 | Low | 27 Ų | 27 | 71 Ų | 71 | 14% | 0.141 | 35% | 0.353 | C | S | . | . | trans | -98.8 | 44.4 | -173.6 | -82.7 | 75 | 0 | 0 | 0 | 112.5 | Y120 F127 S142 W143 | Y120-L140 HydrophobicContact CD2-CD2 4.05Å; Y120-L140 HydrophobicContact CE2-CD1 4.45Å; Y120-L140 HydrophobicContact CE2-CD2 3.73Å; F127-L140 HydrophobicContact CB-CD1 3.58Å; L140-S142 PolarHBondContact O-N 2.94Å; L140-W143 HydrophobicContact CB-CG 4.2Å; L140-W143 HydrophobicContact CD2-CD2 3.78Å; L140-W143 HydrophobicContact CD2-CG 4.05Å; L140-W143 HydrophobicContact CD2-CH2 4.35Å; L140-W143 HydrophobicContact CD2-CZ2 3.53Å; L140-W143 HydrophobicContact CG-CD2 4.48Å; L140-W143 HydrophobicContact CG-CG 4.4Å; L140-W143 HydrophobicContact CG-CZ2 4.23Å; L140-W143 VanDerWaalsContact CG-NE1 3.31Å; L140-W143 PolarHBondContact O-N 2.72Å | ||
| 141 | D | 55.2 | Low | 65.3 | Low | 127 Ų | 127 | 72.7 Ų | 72.7 | 68% | 0.679 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -2.5 | -172.2 | -69.8 | -29.9 | 0 | 0 | 0 | 115.4 | Q139 | Q139-D141 VanDerWaalsContact CD-CG 3.49Å; Q139-D141 VanDerWaalsContact CD-OD1 3.27Å; Q139-D141 VanDerWaalsContact CG-OD1 3.3Å; Q139-D141 WeakPolarHBondContact CG-OD1 3.42Å; Q139-D141 WeakPolarHBondContact CG-OD2 3.35Å; Q139-D141 PolarHBondContact NE2-OD1 3.49Å; Q139-D141 PolarHBondContact NE2-OD2 2.71Å; Q139-D141 PolarHBondContact O-N 3.48Å |
| 142 | S | 49 | Very low | 62.7 | Low | 94 Ų | 94 | 78.7 Ų | 78.7 | 66% | 0.657 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.1 | 26.3 | -175.3 | 22.6 | 0 | 0 | 0 | 0 | 114.2 | L140 T144 | L140-S142 PolarHBondContact O-N 2.94Å; S142-T144 PolarHBondContact O-N 3.35Å |
| 143 | W | 52.8 | Low | 60.2 | Low | 73 Ų | 73 | 77.1 Ų | 77.1 | 28% | 0.277 | 40% | 0.398 | S | S | . | . | trans | -94.3 | 85.7 | 172.2 | -68.8 | 56.3 | 0 | 0 | 0 | 109.3 | L140 E145 P147 L160 | L140-W143 HydrophobicContact CB-CG 4.2Å; L140-W143 HydrophobicContact CD2-CD2 3.78Å; L140-W143 HydrophobicContact CD2-CG 4.05Å; L140-W143 HydrophobicContact CD2-CH2 4.35Å; L140-W143 HydrophobicContact CD2-CZ2 3.53Å; L140-W143 HydrophobicContact CG-CD2 4.48Å; L140-W143 HydrophobicContact CG-CG 4.4Å; L140-W143 HydrophobicContact CG-CZ2 4.23Å; L140-W143 VanDerWaalsContact CG-NE1 3.31Å; L140-W143 PolarHBondContact O-N 2.72Å; W143-E145 PolarHBondContact O-N 3.2Å; W143-P147 HydrophobicContact CD2-CG 4.14Å; W143-P147 HydrophobicContact CE3-CB 3.59Å; W143-P147 HydrophobicContact CE3-CG 3.37Å; W143-P147 HydrophobicContact CH2-CB 3.8Å; W143-P147 HydrophobicContact CH2-CG 4.03Å; W143-P147 HydrophobicContact CZ3-CB 3.11Å; W143-P147 HydrophobicContact CZ3-CG 3.4Å; W143-L160 HydrophobicContact CH2-CD2 3.56Å; W143-L160 HydrophobicContact CZ3-CD2 4.17Å | ||
| 144 | T | 44.5 | Very low | 57.6 | Low | 149 Ų | 149 | 80.7 Ų | 80.7 | 91% | 0.914 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -70.2 | -12.1 | 168.8 | 47.4 | 0 | 0 | 0 | 0 | 112.7 | S142 | S142-T144 PolarHBondContact O-N 3.35Š|
| 145 | E | 42.3 | Very low | 54.8 | Low | 119 Ų | 119 | 89.7 Ų | 89.7 | 56% | 0.556 | 47% | 0.469 | S | S | * | . | S | Bend | trans | -119.9 | 131.6 | 167.1 | -66 | -169.8 | 172.1 | 0 | 0 | 108.4 | W143 K148 | W143-E145 PolarHBondContact O-N 3.2Å; E145-K148 WeakPolarHBondContact OE2-CE 3.37Å; E145-K148 IonicContact OE2-NZ 3.58Å; E145-K148 PolarHBondContact OE2-NZ 3.19Å; E145-K148 VanDerWaalsContact OE2-NZ 3.16Å |
| 146 | T | 42 | Very low | 52.4 | Low | 127 Ų | 127 | 92.9 Ų | 92.9 | 78% | 0.779 | 50% | 0.502 | S | S | * | . | trans | -42 | 140.1 | 165.7 | 25.8 | 0 | 0 | 0 | 0 | 110.4 | K148 | T146-K148 PolarHBondContact O-N 2.78Š| ||
| 147 | P | 47.5 | Very low | 49.9 | Very low | 36 Ų | 36 | 97.6 Ų | 97.6 | 23% | 0.234 | 53% | 0.526 | C | S | . | . | trans | -51.2 | 116.4 | 176.9 | -21 | 24.7 | 0 | 0 | 0 | 111.8 | W143 Y149 L160 | W143-P147 HydrophobicContact CD2-CG 4.14Å; W143-P147 HydrophobicContact CE3-CB 3.59Å; W143-P147 HydrophobicContact CE3-CG 3.37Å; W143-P147 HydrophobicContact CH2-CB 3.8Å; W143-P147 HydrophobicContact CH2-CG 4.03Å; W143-P147 HydrophobicContact CZ3-CB 3.11Å; W143-P147 HydrophobicContact CZ3-CG 3.4Å; P147-Y149 PolarHBondContact O-N 2.75Å; P147-L160 HydrophobicContact CB-CD2 3.76Å | ||
| 148 | K | 41.6 | Very low | 47.6 | Very low | 148 Ų | 148 | 98.9 Ų | 98.9 | 64% | 0.643 | 54% | 0.537 | S | S | * | . | trans | -66.4 | 90.6 | 167.5 | -70.9 | -178.9 | -172.1 | 163 | 0 | 105.7 | E145 T146 E150 | E145-K148 WeakPolarHBondContact OE2-CE 3.37Å; E145-K148 IonicContact OE2-NZ 3.58Å; E145-K148 PolarHBondContact OE2-NZ 3.19Å; E145-K148 VanDerWaalsContact OE2-NZ 3.16Å; T146-K148 PolarHBondContact O-N 2.78Å; K148-E150 PolarHBondContact O-N 3.14Å | ||
| 149 | Y | 43.7 | Very low | 45.6 | Very low | 156 Ų | 156 | 101.7 Ų | 101.7 | 61% | 0.612 | 56% | 0.557 | S | S | * | * | trans | -59.8 | 95.3 | 164.5 | -175.7 | -92.4 | 0 | 0 | 0 | 106 | P147 P151 A158 | P147-Y149 PolarHBondContact O-N 2.75Å; Y149-P151 HydrophobicContact CD1-CB 4.29Å; Y149-P151 HydrophobicContact CD1-CG 4.04Å; Y149-P151 HydrophobicContact CE1-CB 3.94Å; Y149-P151 HydrophobicContact CE1-CG 4.15Å; Y149-P151 VanDerWaalsContact O-CD 3.23Å; Y149-P151 WeakPolarHBondContact O-CD 3.01Å; Y149-A158 HydrophobicContact CD2-CB 4.3Å; Y149-A158 HydrophobicContact CE2-CB 3.82Å | ||
| 150 | E | 39.1 | Very low | 44.4 | Very low | 126 Ų | 126 | 99.8 Ų | 99.8 | 59% | 0.589 | 55% | 0.549 | S | S | * | . | trans | -84.6 | 106.2 | 172.2 | -72.5 | -165.8 | 169.1 | 0 | 0 | 107.6 | K148 N152 | K148-E150 PolarHBondContact O-N 3.14Å; E150-N152 PolarHBondContact O-N 3.02Å | ||
| 151 | P | 39.9 | Very low | 43.6 | Very low | 87 Ų | 87 | 106.3 Ų | 106.3 | 57% | 0.565 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | 2.2 | -174.7 | -1.5 | 17.4 | 0 | 0 | 0 | 113.5 | Y149 | Y149-P151 HydrophobicContact CD1-CB 4.29Å; Y149-P151 HydrophobicContact CD1-CG 4.04Å; Y149-P151 HydrophobicContact CE1-CB 3.94Å; Y149-P151 HydrophobicContact CE1-CG 4.15Å; Y149-P151 VanDerWaalsContact O-CD 3.23Å; Y149-P151 WeakPolarHBondContact O-CD 3.01Å |
| 152 | N | 35.2 | Very low | 43.8 | Very low | 150 Ų | 150 | 102 Ų | 102 | 80% | 0.802 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.7 | 10.5 | -161.6 | -75.4 | -4.2 | 0 | 0 | 0 | 115.3 | E150 | E150-N152 PolarHBondContact O-N 3.02Š|
| 153 | F | 37.3 | Very low | 44.3 | Very low | 126 Ų | 126 | 100.2 Ų | 100.2 | 55% | 0.553 | 54% | 0.541 | S | S | * | . | S | Bend | trans | -80.1 | 133.5 | 164.5 | -103.7 | -95.3 | 0 | 0 | 0 | 110.2 | H155 | F153-H155 PolarHBondContact O-N 3.09Š|
| 154 | A | 36.2 | Very low | 44.9 | Very low | 74 Ų | 74 | 105 Ų | 105 | 61% | 0.612 | 57% | 0.567 | S | S | * | * | G | 310 helix | trans | -39.2 | 131.9 | -165.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 155 | H | 35.8 | Very low | 46 | Very low | 190 Ų | 190 | 100 Ų | 100 | 88% | 0.88 | 54% | 0.544 | S | S | * | . | G | 310 helix | trans | 67.9 | 31.5 | 170.3 | -63 | -70.3 | 0 | 0 | 0 | 118 | F153 L157 | F153-H155 PolarHBondContact O-N 3.09Å; H155-L157 VanDerWaalsContact C-N 3.26Å; H155-L157 PolarHBondContact O-N 3.25Å |
| 156 | G | 40.9 | Very low | 47.8 | Very low | 68 Ų | 68 | 95.3 Ų | 95.3 | 70% | 0.701 | 53% | 0.526 | S | S | * | . | G | 310 helix | trans | 74.7 | 17 | 168.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 157 | L | 40.6 | Very low | 49.9 | Very low | 98 Ų | 98 | 92.9 Ų | 92.9 | 51% | 0.513 | 51% | 0.511 | S | S | . | . | trans | -96.2 | 111.1 | 172.3 | -69.5 | 174.8 | 0 | 0 | 0 | 108.6 | P117 H155 S159 | P117-L157 HydrophobicContact CG-CB 4Å; P117-L157 HydrophobicContact CG-CD1 4.05Å; P117-L157 HydrophobicContact CG-CD2 4.01Å; P117-L157 HydrophobicContact CG-CG 4.22Å; H155-L157 VanDerWaalsContact C-N 3.26Å; H155-L157 PolarHBondContact O-N 3.25Å; L157-S159 PolarHBondContact O-N 2.85Å; L157-S159 VanDerWaalsContact O-N 3.12Å | ||
| 158 | A | 43.3 | Very low | 52 | Low | 27 Ų | 27 | 91.6 Ų | 91.6 | 22% | 0.223 | 50% | 0.502 | C | S | . | . | trans | -67.5 | 109.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | Y149 L160 | Y149-A158 HydrophobicContact CD2-CB 4.3Å; Y149-A158 HydrophobicContact CE2-CB 3.82Å; A158-L160 VanDerWaalsContact C-N 3.32Å; A158-L160 PolarHBondContact O-N 2.72Å; A158-L160 VanDerWaalsContact O-N 3.1Å | ||
| 159 | S | 45.2 | Very low | 54.4 | Low | 62 Ų | 62 | 88.2 Ų | 88.2 | 43% | 0.434 | 49% | 0.488 | S | S | . | . | trans | -77.7 | 82.4 | 167.5 | 160.7 | 0 | 0 | 0 | 0 | 108.7 | L157 Q161 | L157-S159 PolarHBondContact O-N 2.85Å; L157-S159 VanDerWaalsContact O-N 3.12Å; S159-Q161 PolarHBondContact O-N 3.24Å | ||
| 160 | L | 52.4 | Low | 56.8 | Low | 32 Ų | 32 | 84.4 Ų | 84.4 | 17% | 0.168 | 47% | 0.472 | C | S | . | . | trans | -71.8 | 108.2 | 166.5 | -85.7 | 151.2 | 0 | 0 | 0 | 108.3 | F127 W143 P147 A158 I162 | F127-L160 HydrophobicContact CD2-CB 4.48Å; F127-L160 HydrophobicContact CD2-CD1 4.16Å; F127-L160 HydrophobicContact CE2-CB 3.82Å; F127-L160 HydrophobicContact CE2-CD1 3.93Å; W143-L160 HydrophobicContact CH2-CD2 3.56Å; W143-L160 HydrophobicContact CZ3-CD2 4.17Å; P147-L160 HydrophobicContact CB-CD2 3.76Å; A158-L160 VanDerWaalsContact C-N 3.32Å; A158-L160 PolarHBondContact O-N 2.72Å; A158-L160 VanDerWaalsContact O-N 3.1Å; L160-I162 PolarHBondContact O-N 3.28Å | ||
| 161 | Q | 52 | Low | 59.5 | Low | 164 Ų | 164 | 78.4 Ų | 78.4 | 77% | 0.766 | 44% | 0.444 | S | S | * | . | trans | -69.5 | 108.5 | 168.9 | -68.8 | -174.3 | -7.2 | 0 | 0 | 108.2 | S159 | S159-Q161 PolarHBondContact O-N 3.24Š| ||
| 162 | I | 58.8 | Low | 62.2 | Low | 37 Ų | 37 | 75.2 Ų | 75.2 | 19% | 0.19 | 42% | 0.421 | C | S | . | . | P | Polyproline II helix | trans | -79.2 | 133.2 | 177.5 | -60.3 | 134.1 | 0 | 0 | 0 | 107.5 | I105 F127 L160 H164 A166 | I105-I162 HydrophobicContact CD1-CB 3.87Å; I105-I162 HydrophobicContact CD1-CD1 3.14Å; I105-I162 HydrophobicContact CD1-CG1 4.04Å; I105-I162 HydrophobicContact CD1-CG2 3.97Å; F127-I162 HydrophobicContact CD1-CD1 3.83Å; F127-I162 HydrophobicContact CD1-CG1 4.04Å; F127-I162 HydrophobicContact CE1-CD1 3.11Å; F127-I162 HydrophobicContact CE1-CG1 3.77Å; F127-I162 HydrophobicContact CE2-CD1 4.19Å; F127-I162 HydrophobicContact CE2-CG1 4.31Å; F127-I162 HydrophobicContact CG-CG1 4.43Å; F127-I162 HydrophobicContact CZ-CD1 3.3Å; F127-I162 HydrophobicContact CZ-CG1 3.88Å; L160-I162 PolarHBondContact O-N 3.28Å; I162-H164 PolarHBondContact O-N 3.45Å; I162-A166 HydrophobicContact CG2-CB 3.75Å |
| 163 | P | 59.8 | Low | 65.1 | Low | 55 Ų | 55 | 68.1 Ų | 68.1 | 36% | 0.357 | 38% | 0.383 | S | S | . | . | P | Polyproline II helix | trans | -57 | 136.7 | 175.7 | -22.5 | 31.8 | 0 | 0 | 0 | 111.1 | G165 A166 | P163-G165 PolarHBondContact O-N 3.23Å; P163-A166 PolarHBondContact O-N 2.71Å |
| 164 | H | 64 | Low | 67.9 | Low | 175 Ų | 175 | 62.1 Ų | 62.1 | 81% | 0.81 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | 131.4 | 176.7 | -65.9 | 78.7 | 0 | 0 | 0 | 110.1 | E106 I162 | E106-H164 VanDerWaalsContact OE1-CA 3.29Å; E106-H164 WeakPolarHBondContact OE1-CA 3.45Å; E106-H164 IonicContact OE1-CD2 2.72Å; I162-H164 PolarHBondContact O-N 3.45Å |
| 165 | G | 68.7 | Low | 70.7 | Confident | 43 Ų | 43 | 61.6 Ų | 61.6 | 44% | 0.443 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.1 | 8 | 179 | 0 | 0 | 0 | 0 | 0 | 116.7 | E106 P163 T167 | E106-G165 PolarHBondContact OE1-N 2.93Å; E106-G165 VanDerWaalsContact OE1-N 3.11Å; P163-G165 PolarHBondContact O-N 3.23Å; G165-T167 PolarHBondContact O-N 2.84Å |
| 166 | A | 80.1 | Confident | 73.2 | Confident | 20 Ų | 20 | 53.5 Ų | 53.5 | 17% | 0.165 | 31% | 0.311 | C | S | . | . | trans | -59.7 | 132.7 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | T104 I105 F138 I162 P163 | T104-A166 VanDerWaalsContact CA-O 3.3Å; T104-A166 WeakPolarHBondContact CA-O 3.32Å; I105-A166 PolarHBondContact N-O 3.25Å; I105-A166 VanDerWaalsContact N-O 3.12Å; F138-A166 HydrophobicContact CD1-CB 4.3Å; I162-A166 HydrophobicContact CG2-CB 3.75Å; P163-A166 PolarHBondContact O-N 2.71Å | ||
| 167 | T | 86.4 | Confident | 75.2 | Confident | 76 Ų | 76 | 56 Ų | 56 | 47% | 0.466 | 31% | 0.308 | S | S | . | . | B | Isolated β-bridge | trans | -105.1 | 148.4 | -178.1 | 53.5 | 0 | 0 | 0 | 0 | 112.1 | P103 T104 F138 G165 K169 | P103-T167 WeakPolarHBondContact O-CA 3.37Å; T104-T167 HydrophobicContact CG2-CG2 4.2Å; F138-T167 WeakPolarHBondContact CD1-O 3.2Å; G165-T167 PolarHBondContact O-N 2.84Å; T167-K169 PolarHBondContact O-N 3.25Å |
| 168 | V | 90.9 | Very high | 77.3 | Confident | 10 Ų | 10 | 53.1 Ų | 53.1 | 6% | 0.061 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 121.8 | 177.2 | 175.9 | 0 | 0 | 0 | 0 | 109.8 | L84 P103 I108 F136 F138 R170 M171 | L84-V168 HydrophobicContact CD1-CG1 3.8Å; L84-V168 HydrophobicContact CD2-CB 3.91Å; L84-V168 HydrophobicContact CD2-CG1 3.67Å; L84-V168 HydrophobicContact CG-CG1 4.42Å; P103-V168 HydrophobicContact CB-CB 4.11Å; P103-V168 HydrophobicContact CB-CG2 4.14Å; P103-V168 HydrophobicContact CG-CB 4.23Å; P103-V168 WeakPolarHBondContact O-CG2 3.5Å; P103-V168 PolarHBondContact O-N 2.8Å; I108-V168 HydrophobicContact CD1-CG2 4.16Å; I108-V168 HydrophobicContact CG1-CG2 3.81Å; F136-V168 HydrophobicContact CB-CG1 4.39Å; F136-V168 HydrophobicContact CB-CG2 4.19Å; F136-V168 HydrophobicContact CD1-CG1 3.85Å; F136-V168 HydrophobicContact CD1-CG2 3.91Å; F136-V168 HydrophobicContact CG-CG2 4.34Å; F138-V168 HydrophobicContact CD1-CG2 4.18Å; F138-V168 HydrophobicContact CE1-CB 4.35Å; F138-V168 HydrophobicContact CE1-CG2 3.43Å; F138-V168 VanDerWaalsContact CE1-CG2 3.43Å; F138-V168 HydrophobicContact CE2-CG2 4.44Å; F138-V168 HydrophobicContact CZ-CG2 3.59Å; V168-R170 VanDerWaalsContact CG1-O 3.25Å; V168-R170 WeakPolarHBondContact CG1-O 3.31Å; V168-M171 HydrophobicContact CG1-CB 4.48Å |
| 169 | K | 91.3 | Very high | 79.3 | Confident | 77 Ų | 77 | 54.5 Ų | 54.5 | 34% | 0.335 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | -42.9 | 171 | -170.4 | -175.9 | -168 | 158 | 0 | 111.6 | L126 S137 Q139 T167 | L126-K169 HydrophobicContact CD2-CD 3.82Å; S137-K169 WeakPolarHBondContact O-CA 3.14Å; S137-K169 WeakPolarHBondContact O-CB 3.34Å; S137-K169 PolarHBondContact O-N 3.48Å; Q139-K169 HydrophobicContact CB-CB 4.47Å; Q139-K169 HydrophobicContact CB-CD 4.15Å; Q139-K169 VanDerWaalsContact CD-NZ 3.3Å; Q139-K169 HydrophobicContact CG-CD 4.49Å; Q139-K169 VanDerWaalsContact OE1-CD 3.31Å; T167-K169 PolarHBondContact O-N 3.25Å |
| 170 | R | 94.5 | Very high | 81.2 | Confident | 75 Ų | 75 | 60 Ų | 60 | 28% | 0.283 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 150 | -178.5 | -56.6 | -171.9 | -178.4 | 147.4 | -3.5 | 111.3 | E80 V81 F136 S137 V168 Y172 | E80-R170 IonicContact OE1-NE 3.75Å; V81-R170 CarbonylContact O-C 3.53Å; V81-R170 WeakPolarHBondContact O-CA 3.12Å; F136-R170 CarbonylContact C-O 3.57Å; F136-R170 WeakPolarHBondContact CA-O 3.3Å; S137-R170 PolarHBondContact N-O 3.35Å; S137-R170 PolarHBondContact O-N 3.22Å; V168-R170 VanDerWaalsContact CG1-O 3.25Å; V168-R170 WeakPolarHBondContact CG1-O 3.31Å; R170-Y172 HydrophobicContact CB-CE2 3.9Å; R170-Y172 WeakPolarHBondContact CD-OH 3.47Å |
| 171 | M | 95.5 | Very high | 82.7 | Confident | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 140.2 | 174.5 | 171.7 | -166.1 | 164.7 | 0 | 0 | 109.3 | V6 E80 V81 L89 F96 L134 S135 F136 V168 I173 | V6-M171 HydrophobicContact CB-CE 4.04Å; V6-M171 HydrophobicContact CG1-CE 3.29Å; V6-M171 HydrophobicContact CG2-CE 3.53Å; E80-M171 CarbonylContact C-O 3.55Å; E80-M171 WeakPolarHBondContact CA-O 3.43Å; V81-M171 HydrophobicContact CB-CB 4.24Å; V81-M171 HydrophobicContact CG2-SD 4.39Å; V81-M171 PolarHBondContact N-O 3.1Å; V81-M171 PolarHBondContact O-N 3.35Å; L89-M171 HydrophobicContact CD1-SD 3.85Å; F96-M171 HydrophobicContact CZ-CE 4.43Å; F96-M171 HydrophobicContact CZ-SD 4.08Å; L134-M171 HydrophobicContact CD1-CE 3.26Å; L134-M171 HydrophobicContact CD1-CG 3.85Å; L134-M171 HydrophobicContact CD1-SD 4.31Å; S135-M171 CarbonylContact O-C 3.51Å; S135-M171 VanDerWaalsContact O-CA 3.26Å; S135-M171 WeakPolarHBondContact O-CA 3.25Å; F136-M171 HydrophobicContact CD1-CB 3.91Å; F136-M171 HydrophobicContact CD1-CG 3.87Å; F136-M171 HydrophobicContact CE1-CB 4.05Å; F136-M171 HydrophobicContact CE1-CG 3.58Å; F136-M171 HydrophobicContact CE1-SD 3.78Å; F136-M171 HydrophobicContact CZ-CG 4.4Å; F136-M171 HydrophobicContact CZ-SD 4.49Å; V168-M171 HydrophobicContact CG1-CB 4.48Å; M171-I173 HydrophobicContact CE-CD1 3.83Å; M171-I173 HydrophobicContact CE-CG1 3.69Å |
| 172 | Y | 96.8 | Very high | 84.5 | Confident | 21 Ų | 21 | 57.2 Ų | 57.2 | 8% | 0.082 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 134 | 178.2 | -57.6 | -88.8 | 0 | 0 | 0 | 110.4 | V78 I79 E80 L134 S135 R170 L179 | V78-Y172 HydrophobicContact CG1-CD1 3.95Å; I79-Y172 CarbonylContact O-C 3.48Å; I79-Y172 WeakPolarHBondContact O-CA 3.45Å; E80-Y172 HydrophobicContact CB-CD1 3.78Å; E80-Y172 HydrophobicContact CB-CE1 3.73Å; E80-Y172 VanDerWaalsContact CD-CE1 3.49Å; E80-Y172 HydrophobicContact CG-CD1 3.92Å; E80-Y172 HydrophobicContact CG-CE1 3.43Å; E80-Y172 VanDerWaalsContact CG-CE1 3.43Å; E80-Y172 WeakPolarHBondContact OE1-CE1 3.49Å; E80-Y172 PolarHBondContact OE1-OH 2.82Å; L134-Y172 CarbonylContact C-O 3.6Å; L134-Y172 VanDerWaalsContact CA-O 3.24Å; L134-Y172 WeakPolarHBondContact CA-O 3.44Å; L134-Y172 WeakPolarHBondContact CD1-O 3.31Å; S135-Y172 PolarHBondContact N-O 3.36Å; S135-Y172 PolarHBondContact O-N 3.02Å; S135-Y172 WeakPolarHBondContact OG-CB 3.35Å; S135-Y172 WeakPolarHBondContact OG-CD2 3.18Å; R170-Y172 HydrophobicContact CB-CE2 3.9Å; R170-Y172 WeakPolarHBondContact CD-OH 3.47Å; Y172-L179 HydrophobicContact CD1-CD1 4.18Å; Y172-L179 HydrophobicContact CD1-CD2 4Å; Y172-L179 HydrophobicContact CD2-CD2 3.86Å; Y172-L179 HydrophobicContact CE1-CD2 4.27Å; Y172-L179 HydrophobicContact CE2-CD2 4.14Å; Y172-L179 HydrophobicContact CG-CD1 4.19Å; Y172-L179 HydrophobicContact CG-CD2 3.79Å |
| 173 | I | 97.5 | Very high | 86.1 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 125.7 | 169.3 | -50.2 | 164.1 | 0 | 0 | 0 | 107 | V6 L12 L21 V78 I79 G133 L134 M171 | V6-I173 HydrophobicContact CG1-CD1 3.97Å; V6-I173 HydrophobicContact CG1-CG1 4.33Å; L12-I173 HydrophobicContact CB-CD1 3.91Å; L12-I173 HydrophobicContact CD1-CD1 4.21Å; L21-I173 HydrophobicContact CD1-CG2 4.36Å; V78-I173 WeakPolarHBondContact CA-O 3.48Å; I79-I173 HydrophobicContact CB-CB 4.18Å; I79-I173 HydrophobicContact CB-CD1 4.42Å; I79-I173 HydrophobicContact CG2-CD1 4.39Å; I79-I173 PolarHBondContact N-O 3.49Å; I79-I173 PolarHBondContact O-N 3.4Å; G133-I173 WeakPolarHBondContact O-CA 3.32Å; L134-I173 HydrophobicContact CD1-CG1 4.05Å; M171-I173 HydrophobicContact CE-CD1 3.83Å; M171-I173 HydrophobicContact CE-CG1 3.69Å |
| 174 | Y | 96.1 | Very high | 87.7 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 172 | -175.9 | 58.3 | -90.6 | 0 | 0 | 0 | 109.9 | E9 F131 G133 G176 L179 | E9-Y174 WeakPolarHBondContact CA-O 3.48Å; F131-Y174 PolarHBondContact O-OH 3.43Å; G133-Y174 CarbonylContact C-O 3.54Å; G133-Y174 WeakPolarHBondContact CA-O 3.48Å; G133-Y174 PolarHBondContact O-N 2.94Å; G133-Y174 VanDerWaalsContact O-N 3.14Å; Y174-G176 WeakPolarHBondContact CE2-O 3.49Å; Y174-L179 HydrophobicContact CD1-CB 4.37Å; Y174-L179 HydrophobicContact CD1-CD1 3.81Å; Y174-L179 HydrophobicContact CE1-CB 4.08Å; Y174-L179 HydrophobicContact CE1-CD1 4.3Å; Y174-L179 HydrophobicContact CG-CD1 4.23Å |
| 175 | N | 93.3 | Very high | 89.1 | Confident | 64 Ų | 64 | 54.4 Ų | 54.4 | 34% | 0.342 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -97.4 | 131.3 | 178.8 | 179.2 | 54.4 | 0 | 0 | 0 | 110.7 | L21 T182 P185 | L21-N175 HydrophobicContact CD1-CB 4.26Å; N175-T182 PolarHBondContact O-OG1 2.63Å; N175-P185 HydrophobicContact CB-CB 4.34Å; N175-P185 HydrophobicContact CB-CG 4.23Å |
| 176 | G | 88.3 | Confident | 90.2 | Very high | 19 Ų | 19 | 58.5 Ų | 58.5 | 20% | 0.196 | 31% | 0.305 | C | S | . | . | S | Bend | trans | 93.3 | -159 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | E9 G133 Y174 | E9-G176 WeakPolarHBondContact OE1-CA 3.47Å; E9-G176 PolarHBondContact OE1-N 2.83Å; G133-G176 WeakPolarHBondContact CA-O 3.23Å; G133-G176 PolarHBondContact N-O 3.38Å; Y174-G176 WeakPolarHBondContact CE2-O 3.49Å |
| 177 | N | 83.4 | Confident | 90.8 | Very high | 120 Ų | 120 | 58.1 Ų | 58.1 | 64% | 0.642 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -101.9 | -13.7 | -164.6 | -59.6 | -32.4 | 0 | 0 | 0 | 115 | ||
| 178 | S | 85.2 | Confident | 91 | Very high | 39 Ų | 39 | 55.8 Ų | 55.8 | 27% | 0.273 | 29% | 0.286 | S | S | . | . | trans | -138.5 | 130.9 | -173.5 | 169.9 | 0 | 0 | 0 | 0 | 110.3 | Q180 D181 T182 | S178-Q180 VanDerWaalsContact C-N 3.28Å; S178-Q180 PolarHBondContact O-N 2.87Å; S178-Q180 PolarHBondContact OG-N 3.31Å; S178-D181 VanDerWaalsContact CB-OD2 3.3Å; S178-D181 WeakPolarHBondContact CB-OD2 3.33Å; S178-D181 PolarHBondContact OG-N 2.76Å; S178-D181 PolarHBondContact OG-OD2 2.9Å; S178-T182 WeakPolarHBondContact O-CB 3.41Å; S178-T182 PolarHBondContact O-N 2.88Å | ||
| 179 | L | 84.9 | Confident | 91 | Very high | 56 Ų | 56 | 59 Ų | 59 | 29% | 0.293 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -65.9 | -31.2 | 174.5 | -179.4 | 64.2 | 0 | 0 | 0 | 112 | V78 Y172 Y174 T182 | V78-L179 HydrophobicContact CG1-CD1 3.98Å; V78-L179 HydrophobicContact CG2-CD1 4.09Å; Y172-L179 HydrophobicContact CD1-CD1 4.18Å; Y172-L179 HydrophobicContact CD1-CD2 4Å; Y172-L179 HydrophobicContact CD2-CD2 3.86Å; Y172-L179 HydrophobicContact CE1-CD2 4.27Å; Y172-L179 HydrophobicContact CE2-CD2 4.14Å; Y172-L179 HydrophobicContact CG-CD1 4.19Å; Y172-L179 HydrophobicContact CG-CD2 3.79Å; Y174-L179 HydrophobicContact CD1-CB 4.37Å; Y174-L179 HydrophobicContact CD1-CD1 3.81Å; Y174-L179 HydrophobicContact CE1-CB 4.08Å; Y174-L179 HydrophobicContact CE1-CD1 4.3Å; Y174-L179 HydrophobicContact CG-CD1 4.23Å; L179-T182 HydrophobicContact CD1-CG2 4.47Å; L179-T182 WeakPolarHBondContact O-CG2 3.48Å |
| 180 | Q | 84.6 | Confident | 90.8 | Very high | 177 Ų | 177 | 58.8 Ų | 58.8 | 83% | 0.827 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -74.6 | -36.2 | -177.9 | -64 | -176.9 | 10.1 | 0 | 0 | 111.9 | S178 | S178-Q180 VanDerWaalsContact C-N 3.28Å; S178-Q180 PolarHBondContact O-N 2.87Å; S178-Q180 PolarHBondContact OG-N 3.31Å |
| 181 | D | 85.5 | Confident | 90.7 | Very high | 122 Ų | 122 | 55.4 Ų | 55.4 | 65% | 0.652 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -95.4 | 1.2 | -176.7 | -52.7 | -64.6 | 0 | 0 | 0 | 112.9 | S178 | S178-D181 VanDerWaalsContact CB-OD2 3.3Å; S178-D181 WeakPolarHBondContact CB-OD2 3.33Å; S178-D181 PolarHBondContact OG-N 2.76Å; S178-D181 PolarHBondContact OG-OD2 2.9Å |
| 182 | T | 89.4 | Confident | 90.5 | Very high | 16 Ų | 16 | 55.5 Ų | 55.5 | 10% | 0.098 | 30% | 0.299 | C | S | . | . | trans | -64.6 | 137.8 | -176.8 | -168.5 | 0 | 0 | 0 | 0 | 111.6 | K77 V78 N175 S178 L179 | K77-T182 HydrophobicContact CD-CG2 4.5Å; K77-T182 HydrophobicContact CG-CG2 4.25Å; V78-T182 HydrophobicContact CG2-CG2 3.68Å; N175-T182 PolarHBondContact O-OG1 2.63Å; S178-T182 WeakPolarHBondContact O-CB 3.41Å; S178-T182 PolarHBondContact O-N 2.88Å; L179-T182 HydrophobicContact CD1-CG2 4.47Å; L179-T182 WeakPolarHBondContact O-CG2 3.48Å | ||
| 183 | K | 92.3 | Very high | 90 | Very high | 167 Ų | 167 | 60.6 Ų | 60.6 | 73% | 0.726 | 33% | 0.327 | S | S | * | . | trans | -124.1 | 152.8 | 175 | -66.7 | -178.1 | -178.2 | 178.4 | 0 | 109.2 | P185 | K183-P185 WeakPolarHBondContact O-CD 3.09Š| ||
| 184 | A | 92.9 | Very high | 89.5 | Confident | 15 Ų | 15 | 64 Ų | 64 | 12% | 0.124 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -60.4 | 124.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | D70 R75 K77 | D70-A184 HydrophobicContact CB-CB 3.74Å; R75-A184 HydrophobicContact CB-CB 3.92Å; K77-A184 HydrophobicContact CB-CB 4.08Å; K77-A184 HydrophobicContact CG-CB 4.33Å |
| 185 | P | 93.8 | Very high | 89.2 | Confident | 25 Ų | 25 | 66.3 Ų | 66.3 | 16% | 0.162 | 37% | 0.374 | C | S | . | . | P | Polyproline II helix | trans | -68.8 | 170.1 | -179.2 | 26.4 | -30.7 | 0 | 0 | 0 | 111.2 | L21 N175 K183 | L21-P185 HydrophobicContact CB-CG 3.75Å; N175-P185 HydrophobicContact CB-CB 4.34Å; N175-P185 HydrophobicContact CB-CG 4.23Å; K183-P185 WeakPolarHBondContact O-CD 3.09Å |
| 186 | L | 91.7 | Very high | 89.2 | Confident | 129 Ų | 129 | 65 Ų | 65 | 68% | 0.675 | 37% | 0.368 | S | S | * | . | P | Polyproline II helix | trans | -58.9 | 149.9 | 171.2 | -66.2 | 178.3 | 0 | 0 | 0 | 110.2 | P188 | L186-P188 VanDerWaalsContact O-CD 3.32Å; L186-P188 WeakPolarHBondContact O-CD 3.44Å |
| 187 | M | 91.9 | Very high | 89.5 | Confident | 12 Ų | 12 | 64.7 Ų | 64.7 | 6% | 0.059 | 36% | 0.361 | C | S | . | . | P | Polyproline II helix | trans | -60.9 | 123 | 179 | -177 | 169.6 | 72.5 | 0 | 0 | 109.6 | P24 C191 F192 Y197 | P24-M187 HydrophobicContact CG-CG 4.41Å; P24-M187 HydrophobicContact CG-SD 3.57Å; P24-M187 VanDerWaalsContact CG-SD 3.57Å; M187-C191 HydrophobicContact CG-CB 3.6Å; M187-C191 HydrophobicContact SD-CB 4.14Å; M187-F192 HydrophobicContact CE-CD1 3.82Å; M187-F192 HydrophobicContact CE-CD2 3.68Å; M187-F192 HydrophobicContact CE-CE1 3.55Å; M187-F192 HydrophobicContact CE-CE2 3.43Å; M187-F192 VanDerWaalsContact CE-CE2 3.43Å; M187-F192 HydrophobicContact CE-CG 3.9Å; M187-F192 HydrophobicContact CE-CZ 3.37Å; M187-F192 HydrophobicContact CG-CE2 4.46Å; M187-Y197 HydrophobicContact CE-CD1 4.11Å; M187-Y197 HydrophobicContact CE-CD2 3.37Å; M187-Y197 HydrophobicContact CE-CE1 4.24Å; M187-Y197 HydrophobicContact CE-CE2 3.52Å; M187-Y197 HydrophobicContact CE-CG 3.67Å; M187-Y197 HydrophobicContact SD-CD1 4.4Å; M187-Y197 HydrophobicContact SD-CD2 4.46Å; M187-Y197 HydrophobicContact SD-CE1 4.16Å; M187-Y197 HydrophobicContact SD-CE2 4.21Å |
| 188 | P | 92.1 | Very high | 90 | Very high | 28 Ų | 28 | 59.8 Ų | 59.8 | 18% | 0.182 | 34% | 0.338 | C | S | . | . | P | Polyproline II helix | trans | -58 | 148.8 | 178.5 | -25.2 | 33.9 | 0 | 0 | 0 | 111.9 | T20 L21 L186 S190 C191 | T20-P188 HydrophobicContact CG2-CB 4.4Å; T20-P188 HydrophobicContact CG2-CG 3.71Å; L21-P188 VanDerWaalsContact O-CG 3.25Å; L21-P188 WeakPolarHBondContact O-CG 3.06Å; L186-P188 VanDerWaalsContact O-CD 3.32Å; L186-P188 WeakPolarHBondContact O-CD 3.44Å; P188-S190 PolarHBondContact O-N 3.43Å; P188-C191 VanDerWaalsContact O-CB 3.3Å; P188-C191 WeakPolarHBondContact O-CB 3.42Å; P188-C191 PolarHBondContact O-N 3.29Å |
| 189 | L | 89.5 | Confident | 90.4 | Very high | 76 Ų | 76 | 61.6 Ų | 61.6 | 40% | 0.398 | 34% | 0.342 | S | S | . | . | G | 310 helix | trans | -59.3 | -34.6 | 178.3 | -68.6 | 171.9 | 0 | 0 | 0 | 112.5 | C191 F192 A220 A230 M232 | L189-C191 PolarHBondContact O-N 2.98Å; L189-F192 HydrophobicContact CD2-CE2 4.38Å; L189-F192 PolarHBondContact O-N 2.9Å; L189-F192 VanDerWaalsContact O-N 3.11Å; L189-A220 HydrophobicContact CD2-CB 4.13Å; L189-A230 WeakPolarHBondContact CD1-O 3.46Å; L189-M232 HydrophobicContact CD2-CB 4.05Å |
| 190 | S | 88.4 | Confident | 90.9 | Very high | 73 Ų | 73 | 60.3 Ų | 60.3 | 51% | 0.51 | 34% | 0.335 | S | S | . | . | G | 310 helix | trans | -60.9 | -27.1 | 174.6 | 52 | 0 | 0 | 0 | 0 | 113 | P188 F192 L193 | P188-S190 PolarHBondContact O-N 3.43Å; S190-F192 VanDerWaalsContact C-N 3.31Å; S190-F192 PolarHBondContact O-N 2.89Å; S190-L193 VanDerWaalsContact O-CD2 3.31Å; S190-L193 WeakPolarHBondContact O-CD2 3.27Å |
| 191 | C | 91.9 | Very high | 91.5 | Very high | 5 Ų | 5 | 51.9 Ų | 51.9 | 3% | 0.034 | 30% | 0.296 | C | S | . | . | G | 310 helix | trans | -78.1 | -11.5 | 178.1 | -68.9 | 0 | 0 | 0 | 0 | 113.1 | Q27 M187 P188 L189 Y197 | Q27-C191 PolarHBondContact NE2-O 2.85Å; Q27-C191 PolarHBondContact OE1-SG 3.39Å; Q27-C191 VanDerWaalsContact OE1-SG 3.35Å; M187-C191 HydrophobicContact CG-CB 3.6Å; M187-C191 HydrophobicContact SD-CB 4.14Å; P188-C191 VanDerWaalsContact O-CB 3.3Å; P188-C191 WeakPolarHBondContact O-CB 3.42Å; P188-C191 PolarHBondContact O-N 3.29Å; L189-C191 PolarHBondContact O-N 2.98Å; C191-Y197 PolarHBondContact O-OH 3.15Å |
| 192 | F | 91 | Very high | 92.1 | Very high | 1 Ų | 1 | 47.5 Ų | 47.5 | 0% | 0.004 | 27% | 0.272 | C | S | . | . | trans | -69.2 | -36.8 | 179.3 | -79.8 | -100.4 | 0 | 0 | 0 | 112 | M187 L189 S190 G194 N195 Y197 L218 A220 M232 | M187-F192 HydrophobicContact CE-CD1 3.82Å; M187-F192 HydrophobicContact CE-CD2 3.68Å; M187-F192 HydrophobicContact CE-CE1 3.55Å; M187-F192 HydrophobicContact CE-CE2 3.43Å; M187-F192 VanDerWaalsContact CE-CE2 3.43Å; M187-F192 HydrophobicContact CE-CG 3.9Å; M187-F192 HydrophobicContact CE-CZ 3.37Å; M187-F192 HydrophobicContact CG-CE2 4.46Å; L189-F192 HydrophobicContact CD2-CE2 4.38Å; L189-F192 PolarHBondContact O-N 2.9Å; L189-F192 VanDerWaalsContact O-N 3.11Å; S190-F192 VanDerWaalsContact C-N 3.31Å; S190-F192 PolarHBondContact O-N 2.89Å; F192-G194 PolarHBondContact O-N 2.5Å; F192-G194 VanDerWaalsContact O-N 3.08Å; F192-N195 WeakPolarHBondContact O-CA 3.18Å; F192-N195 VanDerWaalsContact O-CB 3.26Å; F192-N195 WeakPolarHBondContact O-CB 3.41Å; F192-N195 PolarHBondContact O-N 3.43Å; F192-N195 PolarHBondContact O-ND2 3.12Å; F192-N195 VanDerWaalsContact O-ND2 3.11Å; F192-Y197 AromaticContact CD1-CD2 3.73Å; F192-Y197 HydrophobicContact CD1-CD2 3.73Å; F192-Y197 HydrophobicContact CD1-CE2 4.07Å; F192-Y197 AromaticContact CE1-CD2 3.93Å; F192-Y197 HydrophobicContact CE1-CD2 3.93Å; F192-Y197 HydrophobicContact CG-CE2 4.45Å; F192-L218 HydrophobicContact CE1-CB 3.9Å; F192-L218 HydrophobicContact CZ-CB 4.19Å; F192-A220 HydrophobicContact CB-CB 3.67Å; F192-A220 HydrophobicContact CD1-CB 4.28Å; F192-A220 HydrophobicContact CD2-CB 4.08Å; F192-A220 HydrophobicContact CG-CB 3.75Å; F192-M232 HydrophobicContact CZ-CG 4.11Å; F192-M232 HydrophobicContact CZ-SD 4.13Å | ||
| 193 | L | 87.1 | Confident | 92.4 | Very high | 129 Ų | 129 | 46.9 Ų | 46.9 | 68% | 0.675 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.7 | 36.4 | 178.7 | -57.8 | 176.2 | 0 | 0 | 0 | 113.5 | S190 N195 | S190-L193 VanDerWaalsContact O-CD2 3.31Å; S190-L193 WeakPolarHBondContact O-CD2 3.27Å; L193-N195 PolarHBondContact O-N 3.35Å |
| 194 | G | 85.3 | Confident | 92.5 | Very high | 70 Ų | 70 | 40.7 Ų | 40.7 | 72% | 0.722 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 76.8 | 0.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | F192 | F192-G194 PolarHBondContact O-N 2.5Å; F192-G194 VanDerWaalsContact O-N 3.08Å |
| 195 | N | 90.4 | Very high | 92.4 | Very high | 50 Ų | 50 | 42.9 Ų | 42.9 | 27% | 0.267 | 25% | 0.249 | S | C | . | . | trans | -84 | 161.8 | 178.2 | -58.1 | -65.6 | 0 | 0 | 0 | 112.4 | F192 L193 Y197 T290 | F192-N195 WeakPolarHBondContact O-CA 3.18Å; F192-N195 VanDerWaalsContact O-CB 3.26Å; F192-N195 WeakPolarHBondContact O-CB 3.41Å; F192-N195 PolarHBondContact O-N 3.43Å; F192-N195 PolarHBondContact O-ND2 3.12Å; F192-N195 VanDerWaalsContact O-ND2 3.11Å; L193-N195 PolarHBondContact O-N 3.35Å; N195-Y197 HydrophobicContact CB-CD2 4.46Å; N195-Y197 HydrophobicContact CB-CE2 3.82Å; N195-T290 HydrophobicContact CB-CG2 4.13Å | ||
| 196 | V | 92.5 | Very high | 91.8 | Very high | 35 Ų | 35 | 44.8 Ų | 44.8 | 21% | 0.212 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 137 | 170.7 | -177.2 | 0 | 0 | 0 | 0 | 108.5 | L217 L218 F235 T290 L291 | V196-L217 HydrophobicContact CG1-CB 3.76Å; V196-L217 HydrophobicContact CG1-CD1 4.14Å; V196-L217 HydrophobicContact CG1-CD2 4.06Å; V196-L217 HydrophobicContact CG1-CG 4.2Å; V196-L218 WeakPolarHBondContact CA-O 3.33Å; V196-F235 HydrophobicContact CG1-CZ 4.35Å; V196-T290 VanDerWaalsContact O-CB 3.25Å; V196-T290 WeakPolarHBondContact O-CB 3.45Å; V196-T290 PolarHBondContact O-OG1 3.25Å; V196-L291 HydrophobicContact CG1-CD2 4.38Å; V196-L291 WeakPolarHBondContact O-CD2 3.35Å |
| 197 | Y | 94.9 | Very high | 91 | Very high | 13 Ų | 13 | 42.9 Ų | 42.9 | 5% | 0.051 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 150.6 | 179.7 | -70.4 | -95.6 | 0 | 0 | 0 | 110.7 | Q27 M187 C191 F192 N195 L217 L218 T290 H323 | Q27-Y197 PolarHBondContact NE2-OH 2.99Å; M187-Y197 HydrophobicContact CE-CD1 4.11Å; M187-Y197 HydrophobicContact CE-CD2 3.37Å; M187-Y197 HydrophobicContact CE-CE1 4.24Å; M187-Y197 HydrophobicContact CE-CE2 3.52Å; M187-Y197 HydrophobicContact CE-CG 3.67Å; M187-Y197 HydrophobicContact SD-CD1 4.4Å; M187-Y197 HydrophobicContact SD-CD2 4.46Å; M187-Y197 HydrophobicContact SD-CE1 4.16Å; M187-Y197 HydrophobicContact SD-CE2 4.21Å; C191-Y197 PolarHBondContact O-OH 3.15Å; F192-Y197 AromaticContact CD1-CD2 3.73Å; F192-Y197 HydrophobicContact CD1-CD2 3.73Å; F192-Y197 HydrophobicContact CD1-CE2 4.07Å; F192-Y197 AromaticContact CE1-CD2 3.93Å; F192-Y197 HydrophobicContact CE1-CD2 3.93Å; F192-Y197 HydrophobicContact CG-CE2 4.45Å; N195-Y197 HydrophobicContact CB-CD2 4.46Å; N195-Y197 HydrophobicContact CB-CE2 3.82Å; Y197-L217 CarbonylContact O-C 3.56Å; Y197-L217 WeakPolarHBondContact O-CA 3.26Å; Y197-L218 PolarHBondContact N-O 2.94Å; Y197-L218 PolarHBondContact O-N 3.3Å; Y197-T290 HydrophobicContact CD1-CG2 4.19Å; Y197-T290 HydrophobicContact CE1-CG2 3.65Å; Y197-T290 HydrophobicContact CE2-CG2 4.45Å; Y197-H323 AromaticContact CD1-CE1 3.87Å; Y197-H323 AromaticContact CD1-ND1 3.96Å; Y197-H323 AromaticContact CE1-CE1 3.46Å; Y197-H323 VanDerWaalsContact CE1-CE1 3.46Å; Y197-H323 WeakPolarHBondContact CE1-CE1 3.41Å; Y197-H323 AromaticContact CE1-ND1 3.97Å; Y197-H323 AromaticContact CE1-NE2 3.51Å |
| 198 | A | 94.9 | Very high | 90.3 | Very high | 18 Ų | 18 | 46.4 Ų | 46.4 | 15% | 0.149 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 128.8 | 171 | 0 | 0 | 0 | 0 | 0 | 109.6 | V201 L291 | A198-V201 HydrophobicContact CB-CG2 4.17Å; A198-L291 HydrophobicContact CB-CB 4.21Å; A198-L291 HydrophobicContact CB-CD2 3.99Å |
| 199 | E | 93.5 | Very high | 90 | Very high | 76 Ų | 76 | 45.2 Ų | 45.2 | 36% | 0.355 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | -42.8 | 167.5 | -170.6 | -176.5 | -157.9 | 0 | 0 | 110.8 | R216 L218 E326 | E199-R216 HydrophobicContact CB-CB 4.47Å; E199-R216 HydrophobicContact CB-CG 4.46Å; E199-R216 VanDerWaalsContact CD-NH1 3.28Å; E199-R216 PolarHBondContact N-O 3.05Å; E199-R216 IonicContact OE1-NH1 2.76Å; E199-R216 PolarHBondContact OE1-NH1 3.24Å; E199-R216 WeakPolarHBondContact OE2-CD 3.46Å; E199-R216 WeakPolarHBondContact OE2-CG 3.44Å; E199-R216 IonicContact OE2-CZ 3.5Å; E199-R216 IonicContact OE2-NE 3.05Å; E199-R216 PolarHBondContact OE2-NE 3.11Å; E199-R216 VanDerWaalsContact OE2-NE 3.16Å; E199-R216 IonicContact OE2-NH1 3.16Å; E199-R216 PolarHBondContact OE2-NH1 3.23Å; E199-L218 HydrophobicContact CB-CD1 3.94Å; E199-L218 HydrophobicContact CB-CD2 4.18Å; E199-L218 HydrophobicContact CB-CG 3.94Å; E199-L218 HydrophobicContact CG-CD1 4.36Å; E199-E326 VanDerWaalsContact O-CB 3.31Å; E199-E326 WeakPolarHBondContact O-CB 3Å |
| 200 | N | 95.1 | Very high | 90.2 | Very high | 30 Ų | 30 | 41.6 Ų | 41.6 | 16% | 0.16 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 160.6 | 172.6 | 64.5 | 41.4 | 0 | 0 | 0 | 111.7 | R216 E326 | N200-R216 PolarHBondContact O-N 2.8Å; N200-R216 WeakPolarHBondContact OD1-CB 3.03Å; N200-E326 CarbonylContact C-O 3.45Å; N200-E326 VanDerWaalsContact CA-O 3.31Å; N200-E326 WeakPolarHBondContact CA-O 3.33Å; N200-E326 HydrophobicContact CB-CB 4.38Å |
| 201 | V | 97.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 106.4 | 178.1 | -179.3 | 0 | 0 | 0 | 0 | 109.8 | A198 L213 R214 L215 L309 C325 E326 F327 K328 | A198-V201 HydrophobicContact CB-CG2 4.17Å; V201-L213 HydrophobicContact CG1-CB 4.21Å; V201-L213 HydrophobicContact CG1-CD1 4.34Å; V201-L213 HydrophobicContact CG1-CD2 3.96Å; V201-L213 HydrophobicContact CG1-CG 4.41Å; V201-R214 CarbonylContact C-O 3.46Å; V201-R214 WeakPolarHBondContact CA-O 3.49Å; V201-L215 HydrophobicContact CG1-CG 4.36Å; V201-L215 HydrophobicContact CG2-CD2 4.15Å; V201-L215 HydrophobicContact CG2-CG 4.12Å; V201-L309 HydrophobicContact CG1-CD2 4.31Å; V201-C325 VanDerWaalsContact CG2-SG 3.55Å; V201-E326 PolarHBondContact N-O 3.18Å; V201-F327 HydrophobicContact CB-CB 4.42Å; V201-F327 CarbonylContact O-C 3.53Å; V201-F327 WeakPolarHBondContact O-CA 3.38Å; V201-K328 PolarHBondContact O-N 3.23Å |
| 202 | D | 97.6 | Very high | 90.5 | Very high | 29 Ų | 29 | 38.5 Ų | 38.5 | 16% | 0.155 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 124.7 | 172.7 | -63.5 | -38.2 | 0 | 0 | 0 | 109.7 | L204 R214 | D202-L204 PolarHBondContact O-N 3.49Å; D202-R214 HydrophobicContact CB-CB 4.31Å; D202-R214 PolarHBondContact N-O 3.08Å; D202-R214 PolarHBondContact O-N 2.75Å; D202-R214 IonicContact OD2-CZ 3.41Å; D202-R214 IonicContact OD2-NE 3.19Å; D202-R214 PolarHBondContact OD2-NE 3.16Å; D202-R214 IonicContact OD2-NH2 2.88Å; D202-R214 PolarHBondContact OD2-NH2 3.27Å |
| 203 | V | 96.3 | Very high | 90.8 | Very high | 4 Ų | 4 | 38.5 Ų | 38.5 | 2% | 0.024 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 111.2 | 172.4 | 177.9 | 0 | 0 | 0 | 0 | 108.9 | R205 P210 L213 L309 K328 I329 P330 L406 | V203-R205 HydrophobicContact CG1-CG 4.42Å; V203-P210 HydrophobicContact CG1-CB 4.25Å; V203-L213 HydrophobicContact CG2-CD2 3.88Å; V203-L309 HydrophobicContact CG2-CD1 3.69Å; V203-K328 PolarHBondContact N-O 3.05Å; V203-I329 HydrophobicContact CB-CG1 3.9Å; V203-I329 HydrophobicContact CG2-CD1 4.37Å; V203-I329 HydrophobicContact CG2-CG1 3.55Å; V203-P330 WeakPolarHBondContact O-CD 3.37Å; V203-L406 HydrophobicContact CB-CD1 4.4Å; V203-L406 HydrophobicContact CG1-CD1 3.63Å; V203-L406 HydrophobicContact CG1-CD2 4.28Å; V203-L406 HydrophobicContact CG2-CD1 3.85Å |
| 204 | L | 94.6 | Very high | 91.4 | Very high | 36 Ų | 36 | 36.8 Ų | 36.8 | 19% | 0.188 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 134.2 | 178.1 | -55.5 | 179 | 0 | 0 | 0 | 109.1 | D202 P210 S211 G212 R214 Y240 | D202-L204 PolarHBondContact O-N 3.49Å; L204-P210 CarbonylContact O-C 3.55Å; L204-P210 WeakPolarHBondContact O-CA 3.37Å; L204-S211 PolarHBondContact O-N 3.18Å; L204-S211 PolarHBondContact O-OG 2.87Å; L204-G212 PolarHBondContact N-O 2.95Å; L204-R214 HydrophobicContact CD1-CB 4.2Å; L204-R214 HydrophobicContact CD2-CB 3.98Å; L204-R214 HydrophobicContact CG-CB 4.18Å; L204-Y240 HydrophobicContact CD1-CD1 4.45Å; L204-Y240 HydrophobicContact CD1-CE1 3.54Å |
| 205 | R | 89.1 | Confident | 92 | Very high | 62 Ų | 62 | 33.5 Ų | 33.5 | 23% | 0.234 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 147.7 | 179.7 | -62 | -169.4 | 67.1 | 178.9 | -3.2 | 111.3 | V203 G209 P330 Q389 | V203-R205 HydrophobicContact CG1-CG 4.42Å; R205-G209 WeakPolarHBondContact CA-O 3.48Å; R205-P330 WeakPolarHBondContact CD-O 3.48Å; R205-P330 HydrophobicContact CG-CG 4.15Å; R205-P330 PolarHBondContact NH1-O 3.38Å; R205-Q389 VanDerWaalsContact CZ-OE1 3.28Å |
| 206 | D | 83.2 | Confident | 92.3 | Very high | 64 Ų | 64 | 35.4 Ų | 35.4 | 34% | 0.342 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 179.5 | 166.2 | 62.3 | 38.8 | 0 | 0 | 0 | 109.9 | T208 G209 | D206-T208 PolarHBondContact O-N 3.03Å; D206-T208 VanDerWaalsContact OD1-CA 3.3Å; D206-T208 WeakPolarHBondContact OD1-CA 3.28Å; D206-T208 WeakPolarHBondContact OD1-CB 3.44Å; D206-T208 PolarHBondContact OD1-N 3.07Å; D206-T208 PolarHBondContact OD1-OG1 3.49Å; D206-G209 PolarHBondContact N-O 3.06Å; D206-G209 PolarHBondContact O-N 2.96Å; D206-G209 VanDerWaalsContact O-N 3.14Å; D206-G209 PolarHBondContact OD1-N 2.78Å; D206-G209 VanDerWaalsContact OD1-N 3.1Å |
| 207 | G | 73.6 | Confident | 92.4 | Very high | 90 Ų | 90 | 33.8 Ų | 33.8 | 93% | 0.928 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60 | -12.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 208 | T | 78.4 | Confident | 92.3 | Very high | 85 Ų | 85 | 33.6 Ų | 33.6 | 52% | 0.521 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.4 | -8.2 | -179.1 | 76.3 | 0 | 0 | 0 | 0 | 113.8 | D206 R390 | D206-T208 PolarHBondContact O-N 3.03Å; D206-T208 VanDerWaalsContact OD1-CA 3.3Å; D206-T208 WeakPolarHBondContact OD1-CA 3.28Å; D206-T208 WeakPolarHBondContact OD1-CB 3.44Å; D206-T208 PolarHBondContact OD1-N 3.07Å; D206-T208 PolarHBondContact OD1-OG1 3.49Å; T208-R390 VanDerWaalsContact O-CD 3.23Å; T208-R390 WeakPolarHBondContact O-CD 3.25Å; T208-R390 PolarHBondContact O-NH1 2.88Å |
| 209 | G | 85.7 | Confident | 92.1 | Very high | 4 Ų | 4 | 34.2 Ų | 34.2 | 4% | 0.041 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 137.8 | -161.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | R205 D206 S211 | R205-G209 WeakPolarHBondContact CA-O 3.48Å; D206-G209 PolarHBondContact N-O 3.06Å; D206-G209 PolarHBondContact O-N 2.96Å; D206-G209 VanDerWaalsContact O-N 3.14Å; D206-G209 PolarHBondContact OD1-N 2.78Å; D206-G209 VanDerWaalsContact OD1-N 3.1Å; G209-S211 PolarHBondContact O-N 3.46Å |
| 210 | P | 92 | Very high | 91.7 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61 | 132.9 | 171.6 | -20.7 | 33.2 | 0 | 0 | 0 | 111.4 | V203 L204 F241 M391 L406 | V203-P210 HydrophobicContact CG1-CB 4.25Å; L204-P210 CarbonylContact O-C 3.55Å; L204-P210 WeakPolarHBondContact O-CA 3.37Å; P210-F241 HydrophobicContact CB-CE2 4.1Å; P210-F241 WeakPolarHBondContact O-CD2 3.33Å; P210-F241 VanDerWaalsContact O-CE2 3.24Å; P210-F241 WeakPolarHBondContact O-CE2 3.39Å; P210-M391 HydrophobicContact CG-CG 3.77Å; P210-M391 HydrophobicContact CG-SD 4.08Å; P210-L406 HydrophobicContact CB-CB 4.39Å; P210-L406 HydrophobicContact CG-CD2 4.44Å |
| 211 | S | 93.2 | Very high | 90.2 | Very high | 12 Ų | 12 | 30.7 Ų | 30.7 | 8% | 0.084 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | -25.3 | -177.9 | 66.1 | 0 | 0 | 0 | 0 | 113.2 | L204 G209 F241 | L204-S211 PolarHBondContact O-N 3.18Å; L204-S211 PolarHBondContact O-OG 2.87Å; G209-S211 PolarHBondContact O-N 3.46Å; S211-F241 WeakPolarHBondContact O-CD2 3.21Å; S211-F241 PolarHBondContact O-N 2.79Å; S211-F241 VanDerWaalsContact O-N 3.12Å |
| 212 | G | 95.1 | Very high | 88.2 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 175 | -168.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113 | L204 V239 | L204-G212 PolarHBondContact N-O 2.95Å; G212-V239 CarbonylContact C-O 3.6Å; G212-V239 WeakPolarHBondContact CA-O 2.99Å |
| 213 | L | 97.4 | Very high | 86 | Confident | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 136.9 | 177.1 | -58.6 | -178.8 | 0 | 0 | 0 | 109.2 | V201 V203 L215 C238 V239 V293 F307 L309 L406 | V201-L213 HydrophobicContact CG1-CB 4.21Å; V201-L213 HydrophobicContact CG1-CD1 4.34Å; V201-L213 HydrophobicContact CG1-CD2 3.96Å; V201-L213 HydrophobicContact CG1-CG 4.41Å; V203-L213 HydrophobicContact CG2-CD2 3.88Å; L213-L215 HydrophobicContact CB-CD1 3.77Å; L213-C238 CarbonylContact O-C 3.43Å; L213-C238 VanDerWaalsContact O-CA 3.25Å; L213-C238 WeakPolarHBondContact O-CA 3.3Å; L213-V239 PolarHBondContact N-O 3.11Å; L213-V239 PolarHBondContact O-N 3.18Å; L213-V293 HydrophobicContact CD1-CG1 3.94Å; L213-F307 HydrophobicContact CD1-CB 4.06Å; L213-F307 HydrophobicContact CD1-CD1 3.43Å; L213-F307 VanDerWaalsContact CD1-CD1 3.43Å; L213-F307 HydrophobicContact CD1-CD2 4.41Å; L213-F307 HydrophobicContact CD1-CE1 3.89Å; L213-F307 HydrophobicContact CD1-CG 3.72Å; L213-F307 HydrophobicContact CG-CD1 3.99Å; L213-F307 HydrophobicContact CG-CD2 4.17Å; L213-F307 HydrophobicContact CG-CE1 4.17Å; L213-F307 HydrophobicContact CG-CE2 4.36Å; L213-F307 HydrophobicContact CG-CG 3.99Å; L213-F307 HydrophobicContact CG-CZ 4.34Å; L213-L309 HydrophobicContact CD1-CD2 3.96Å; L213-L309 HydrophobicContact CD2-CD1 4.47Å; L213-L309 HydrophobicContact CD2-CD2 4.17Å; L213-L406 HydrophobicContact CD2-CD1 3.64Å |
| 214 | R | 98.1 | Very high | 83.5 | Confident | 94 Ų | 94 | 43.8 Ų | 43.8 | 36% | 0.355 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 118.9 | 162.3 | 176.5 | 175.1 | 66.3 | -170.1 | 2.6 | 108.2 | V201 D202 L204 R237 | V201-R214 CarbonylContact C-O 3.46Å; V201-R214 WeakPolarHBondContact CA-O 3.49Å; D202-R214 HydrophobicContact CB-CB 4.31Å; D202-R214 PolarHBondContact N-O 3.08Å; D202-R214 PolarHBondContact O-N 2.75Å; D202-R214 IonicContact OD2-CZ 3.41Å; D202-R214 IonicContact OD2-NE 3.19Å; D202-R214 PolarHBondContact OD2-NE 3.16Å; D202-R214 IonicContact OD2-NH2 2.88Å; D202-R214 PolarHBondContact OD2-NH2 3.27Å; L204-R214 HydrophobicContact CD1-CB 4.2Å; L204-R214 HydrophobicContact CD2-CB 3.98Å; L204-R214 HydrophobicContact CG-CB 4.18Å; R214-R237 CarbonylContact C-O 3.54Å; R214-R237 WeakPolarHBondContact CA-O 3.42Å |
| 215 | L | 97.8 | Very high | 81.2 | Confident | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 127.1 | -177.2 | -57.6 | 90 | 0 | 0 | 0 | 109.3 | V201 L213 L217 E236 R237 L252 L291 | V201-L215 HydrophobicContact CG1-CG 4.36Å; V201-L215 HydrophobicContact CG2-CD2 4.15Å; V201-L215 HydrophobicContact CG2-CG 4.12Å; L213-L215 HydrophobicContact CB-CD1 3.77Å; L215-L217 HydrophobicContact CB-CD2 3.77Å; L215-L217 HydrophobicContact CB-CG 4.05Å; L215-L217 HydrophobicContact CD2-CD2 4.22Å; L215-E236 WeakPolarHBondContact O-CA 3.38Å; L215-R237 PolarHBondContact N-O 2.85Å; L215-R237 PolarHBondContact O-N 2.86Å; L215-L252 HydrophobicContact CD1-CD2 4.21Å; L215-L252 HydrophobicContact CD2-CD2 4.3Å; L215-L291 HydrophobicContact CD2-CD1 4.13Å |
| 216 | R | 96.9 | Very high | 79.2 | Confident | 89 Ų | 89 | 47.6 Ų | 47.6 | 34% | 0.336 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 109.2 | 166 | -169.1 | 170 | -173.8 | -140.2 | 6.2 | 108.2 | E199 N200 V234 E236 | E199-R216 HydrophobicContact CB-CB 4.47Å; E199-R216 HydrophobicContact CB-CG 4.46Å; E199-R216 VanDerWaalsContact CD-NH1 3.28Å; E199-R216 PolarHBondContact N-O 3.05Å; E199-R216 IonicContact OE1-NH1 2.76Å; E199-R216 PolarHBondContact OE1-NH1 3.24Å; E199-R216 WeakPolarHBondContact OE2-CD 3.46Å; E199-R216 WeakPolarHBondContact OE2-CG 3.44Å; E199-R216 IonicContact OE2-CZ 3.5Å; E199-R216 IonicContact OE2-NE 3.05Å; E199-R216 PolarHBondContact OE2-NE 3.11Å; E199-R216 VanDerWaalsContact OE2-NE 3.16Å; E199-R216 IonicContact OE2-NH1 3.16Å; E199-R216 PolarHBondContact OE2-NH1 3.23Å; N200-R216 PolarHBondContact O-N 2.8Å; N200-R216 WeakPolarHBondContact OD1-CB 3.03Å; R216-V234 HydrophobicContact CG-CG1 3.65Å; R216-E236 HydrophobicContact CB-CG 4.47Å; R216-E236 HydrophobicContact CG-CG 4.34Å |
| 217 | L | 95.1 | Very high | 77.7 | Confident | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.005 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 141.3 | -169.5 | -61.3 | 177.7 | 0 | 0 | 0 | 111.3 | V196 Y197 L215 V234 F235 R237 L252 L291 | V196-L217 HydrophobicContact CG1-CB 3.76Å; V196-L217 HydrophobicContact CG1-CD1 4.14Å; V196-L217 HydrophobicContact CG1-CD2 4.06Å; V196-L217 HydrophobicContact CG1-CG 4.2Å; Y197-L217 CarbonylContact O-C 3.56Å; Y197-L217 WeakPolarHBondContact O-CA 3.26Å; L215-L217 HydrophobicContact CB-CD2 3.77Å; L215-L217 HydrophobicContact CB-CG 4.05Å; L215-L217 HydrophobicContact CD2-CD2 4.22Å; L217-V234 VanDerWaalsContact O-CA 3.32Å; L217-V234 WeakPolarHBondContact O-CA 3.47Å; L217-F235 HydrophobicContact CB-CD2 4.26Å; L217-F235 HydrophobicContact CB-CE1 4.1Å; L217-F235 HydrophobicContact CB-CE2 3.86Å; L217-F235 HydrophobicContact CB-CZ 3.76Å; L217-F235 HydrophobicContact CD1-CD2 4.38Å; L217-F235 HydrophobicContact CD1-CE2 3.62Å; L217-F235 HydrophobicContact CD1-CZ 4.04Å; L217-F235 HydrophobicContact CG-CE2 4.33Å; L217-F235 PolarHBondContact N-O 2.8Å; L217-F235 PolarHBondContact O-N 3.42Å; L217-R237 HydrophobicContact CD1-CB 3.99Å; L217-R237 HydrophobicContact CD1-CG 3.88Å; L217-L252 HydrophobicContact CD1-CD2 3.9Å; L217-L291 HydrophobicContact CD2-CD1 4.34Å; L217-L291 HydrophobicContact CD2-CD2 3.65Å |
| 218 | L | 93.1 | Very high | 76.7 | Confident | 10 Ų | 10 | 52.5 Ų | 52.5 | 5% | 0.052 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 132.5 | 176.6 | -54.3 | 176.3 | 0 | 0 | 0 | 109.3 | F192 V196 Y197 E199 M232 R233 V234 | F192-L218 HydrophobicContact CE1-CB 3.9Å; F192-L218 HydrophobicContact CZ-CB 4.19Å; V196-L218 WeakPolarHBondContact CA-O 3.33Å; Y197-L218 PolarHBondContact N-O 2.94Å; Y197-L218 PolarHBondContact O-N 3.3Å; E199-L218 HydrophobicContact CB-CD1 3.94Å; E199-L218 HydrophobicContact CB-CD2 4.18Å; E199-L218 HydrophobicContact CB-CG 3.94Å; E199-L218 HydrophobicContact CG-CD1 4.36Å; L218-M232 HydrophobicContact CD2-SD 4.36Å; L218-R233 WeakPolarHBondContact CA-O 3.4Å; L218-V234 HydrophobicContact CD2-CB 4.22Å; L218-V234 HydrophobicContact CD2-CG1 3.98Å; L218-V234 HydrophobicContact CD2-CG2 3.54Å |
| 219 | T | 89.7 | Confident | 75.6 | Confident | 30 Ų | 30 | 54.3 Ų | 54.3 | 18% | 0.184 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 148.3 | 172.1 | -170.5 | 0 | 0 | 0 | 0 | 110.8 | G221 M232 R233 F235 | T219-G221 PolarHBondContact O-N 2.76Å; T219-M232 WeakPolarHBondContact O-CA 3.41Å; T219-R233 HydrophobicContact CG2-CB 4.01Å; T219-R233 PolarHBondContact N-O 2.78Å; T219-R233 PolarHBondContact O-N 3.32Å; T219-F235 HydrophobicContact CG2-CD1 4.37Å; T219-F235 HydrophobicContact CG2-CE1 3.65Å |
| 220 | A | 85.5 | Confident | 74.7 | Confident | 19 Ų | 19 | 55.2 Ų | 55.2 | 16% | 0.157 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 116 | 162.9 | 0 | 0 | 0 | 0 | 0 | 107.3 | L189 F192 C222 | L189-A220 HydrophobicContact CD2-CB 4.13Å; F192-A220 HydrophobicContact CB-CB 3.67Å; F192-A220 HydrophobicContact CD1-CB 4.28Å; F192-A220 HydrophobicContact CD2-CB 4.08Å; F192-A220 HydrophobicContact CG-CB 3.75Å; A220-C222 PolarHBondContact O-N 2.79Å |
| 221 | G | 64.6 | Low | 74.1 | Confident | 13 Ų | 13 | 62 Ų | 62 | 13% | 0.134 | 38% | 0.377 | C | S | . | . | trans | -61.3 | 111.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112 | T219 G223 K231 | T219-G221 PolarHBondContact O-N 2.76Å; G221-G223 PolarHBondContact O-N 3.25Å; G221-K231 PolarHBondContact N-O 2.98Å | ||
| 222 | C | 55 | Low | 73.7 | Confident | 121 Ų | 121 | 65.2 Ų | 65.2 | 82% | 0.818 | 39% | 0.392 | S | S | * | . | trans | -87.5 | 82.2 | 161 | -71.3 | 0 | 0 | 0 | 0 | 108.4 | A220 | A220-C222 PolarHBondContact O-N 2.79Š| ||
| 223 | G | 51.4 | Low | 73.3 | Confident | 38 Ų | 38 | 72.7 Ų | 72.7 | 39% | 0.392 | 42% | 0.42 | S | S | . | . | trans | -71.4 | 153.7 | 158.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | G221 G225 | G221-G223 PolarHBondContact O-N 3.25Å; G223-G225 VanDerWaalsContact C-N 3.26Å; G223-G225 PolarHBondContact O-N 2.88Å | ||
| 224 | P | 43.3 | Very low | 73 | Confident | 150 Ų | 150 | 75.7 Ų | 75.7 | 97% | 0.974 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -67 | 89.7 | 167 | 27.6 | -30.5 | 0 | 0 | 0 | 108.6 | ||
| 225 | G | 46.3 | Very low | 72.8 | Confident | 58 Ų | 58 | 74 Ų | 74 | 60% | 0.598 | 43% | 0.434 | S | S | * | . | S | Bend | trans | 158 | 115.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | G223 | G223-G225 VanDerWaalsContact C-N 3.26Å; G223-G225 PolarHBondContact O-N 2.88Å |
| 226 | V | 47.7 | Very low | 72.7 | Confident | 119 Ų | 119 | 78.8 Ų | 78.8 | 72% | 0.721 | 46% | 0.456 | S | S | * | . | trans | 24 | 116.6 | 164.3 | -164.6 | 0 | 0 | 0 | 0 | 116.7 | A228 D229 | V226-A228 HydrophobicContact CG1-CB 3.78Å; V226-A228 PolarHBondContact O-N 3.2Å; V226-D229 PolarHBondContact O-N 2.93Å; V226-D229 VanDerWaalsContact O-N 3.15Å | ||
| 227 | L | 52.3 | Low | 72.7 | Confident | 164 Ų | 164 | 79.8 Ų | 79.8 | 86% | 0.859 | 46% | 0.46 | S | S | * | . | G | 310 helix | trans | -42.6 | -20.3 | 172 | -84.7 | 155.9 | 0 | 0 | 0 | 115.8 | D229 A230 | L227-D229 VanDerWaalsContact C-N 3.29Å; L227-D229 PolarHBondContact O-N 3.28Å; L227-A230 WeakPolarHBondContact O-CB 3.14Å; L227-A230 PolarHBondContact O-N 2.92Å |
| 228 | A | 52.3 | Low | 72.8 | Confident | 94 Ų | 94 | 81.8 Ų | 81.8 | 78% | 0.777 | 47% | 0.473 | S | S | * | . | G | 310 helix | trans | -67.2 | -20.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | V226 | V226-A228 HydrophobicContact CG1-CB 3.78Å; V226-A228 PolarHBondContact O-N 3.2Å |
| 229 | D | 55 | Low | 72.9 | Confident | 122 Ų | 122 | 81.3 Ų | 81.3 | 65% | 0.652 | 47% | 0.471 | S | S | * | . | G | 310 helix | trans | -114.8 | 18.7 | 179.8 | -145 | 3.4 | 0 | 0 | 0 | 112.8 | V226 L227 K231 | V226-D229 PolarHBondContact O-N 2.93Å; V226-D229 VanDerWaalsContact O-N 3.15Å; L227-D229 VanDerWaalsContact C-N 3.29Å; L227-D229 PolarHBondContact O-N 3.28Å; D229-K231 PolarHBondContact O-N 3.11Å; D229-K231 VanDerWaalsContact O-N 3.11Å |
| 230 | A | 66.6 | Low | 73.2 | Confident | 24 Ų | 24 | 82.8 Ų | 82.8 | 20% | 0.198 | 47% | 0.474 | C | S | . | . | trans | -64.1 | 113.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | L189 L227 | L189-A230 WeakPolarHBondContact CD1-O 3.46Å; L227-A230 WeakPolarHBondContact O-CB 3.14Å; L227-A230 PolarHBondContact O-N 2.92Å | ||
| 231 | K | 79.3 | Confident | 73.7 | Confident | 141 Ų | 141 | 82.2 Ų | 82.2 | 61% | 0.613 | 47% | 0.467 | S | S | * | . | trans | -106.2 | 146 | 172.8 | -67 | 178.4 | -174.4 | 173.2 | 0 | 109.7 | G221 D229 R233 | G221-K231 PolarHBondContact N-O 2.98Å; D229-K231 PolarHBondContact O-N 3.11Å; D229-K231 VanDerWaalsContact O-N 3.11Å; K231-R233 PolarHBondContact O-N 2.87Å | ||
| 232 | M | 85.2 | Confident | 75.1 | Confident | 80 Ų | 80 | 82.6 Ų | 82.6 | 39% | 0.394 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 126.8 | 170.2 | -174.1 | 178.3 | 69.9 | 0 | 0 | 108.6 | L189 F192 L218 T219 V234 | L189-M232 HydrophobicContact CD2-CB 4.05Å; F192-M232 HydrophobicContact CZ-CG 4.11Å; F192-M232 HydrophobicContact CZ-SD 4.13Å; L218-M232 HydrophobicContact CD2-SD 4.36Å; T219-M232 WeakPolarHBondContact O-CA 3.41Å; M232-V234 HydrophobicContact CE-CG2 4.49Å |
| 233 | R | 87.7 | Confident | 77 | Confident | 158 Ų | 158 | 77.5 Ų | 77.5 | 60% | 0.596 | 44% | 0.436 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 140.4 | 174.7 | -64.8 | -169.8 | 179.9 | -159 | 0.6 | 109.5 | L218 T219 K231 | L218-R233 WeakPolarHBondContact CA-O 3.4Å; T219-R233 HydrophobicContact CG2-CB 4.01Å; T219-R233 PolarHBondContact N-O 2.78Å; T219-R233 PolarHBondContact O-N 3.32Å; K231-R233 PolarHBondContact O-N 2.87Å |
| 234 | V | 91.1 | Very high | 79.2 | Confident | 64 Ų | 64 | 76.9 Ų | 76.9 | 39% | 0.388 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 131.6 | 176.6 | -169.8 | 0 | 0 | 0 | 0 | 108 | R216 L217 L218 M232 | R216-V234 HydrophobicContact CG-CG1 3.65Å; L217-V234 VanDerWaalsContact O-CA 3.32Å; L217-V234 WeakPolarHBondContact O-CA 3.47Å; L218-V234 HydrophobicContact CD2-CB 4.22Å; L218-V234 HydrophobicContact CD2-CG1 3.98Å; L218-V234 HydrophobicContact CD2-CG2 3.54Å; M232-V234 HydrophobicContact CE-CG2 4.49Å |
| 235 | F | 92.1 | Very high | 81.6 | Confident | 57 Ų | 57 | 70.5 Ų | 70.5 | 25% | 0.25 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 154.4 | 177.5 | 58.8 | -82 | 0 | 0 | 0 | 110.5 | V196 L217 T219 R237 | V196-F235 HydrophobicContact CG1-CZ 4.35Å; L217-F235 HydrophobicContact CB-CD2 4.26Å; L217-F235 HydrophobicContact CB-CE1 4.1Å; L217-F235 HydrophobicContact CB-CE2 3.86Å; L217-F235 HydrophobicContact CB-CZ 3.76Å; L217-F235 HydrophobicContact CD1-CD2 4.38Å; L217-F235 HydrophobicContact CD1-CE2 3.62Å; L217-F235 HydrophobicContact CD1-CZ 4.04Å; L217-F235 HydrophobicContact CG-CE2 4.33Å; L217-F235 PolarHBondContact N-O 2.8Å; L217-F235 PolarHBondContact O-N 3.42Å; T219-F235 HydrophobicContact CG2-CD1 4.37Å; T219-F235 HydrophobicContact CG2-CE1 3.65Å; F235-R237 HydrophobicContact CD2-CG 3.76Å; F235-R237 HydrophobicContact CE2-CG 3.8Å |
| 236 | E | 96.1 | Very high | 84 | Confident | 102 Ų | 102 | 73.8 Ų | 73.8 | 48% | 0.477 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 141.5 | -179.8 | -66.5 | -173.1 | 166.4 | 0 | 0 | 111.3 | L215 R216 | L215-E236 WeakPolarHBondContact O-CA 3.38Å; R216-E236 HydrophobicContact CB-CG 4.47Å; R216-E236 HydrophobicContact CG-CG 4.34Å |
| 237 | R | 96.5 | Very high | 86.3 | Confident | 111 Ų | 111 | 70.7 Ų | 70.7 | 42% | 0.419 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 142.2 | 179 | -70.3 | -63 | 177.4 | -107.7 | 9.7 | 110.6 | R214 L215 L217 F235 T251 L252 | R214-R237 CarbonylContact C-O 3.54Å; R214-R237 WeakPolarHBondContact CA-O 3.42Å; L215-R237 PolarHBondContact N-O 2.85Å; L215-R237 PolarHBondContact O-N 2.86Å; L217-R237 HydrophobicContact CD1-CB 3.99Å; L217-R237 HydrophobicContact CD1-CG 3.88Å; F235-R237 HydrophobicContact CD2-CG 3.76Å; F235-R237 HydrophobicContact CE2-CG 3.8Å; R237-T251 HydrophobicContact CB-CG2 3.64Å; R237-T251 HydrophobicContact CG-CG2 4.09Å; R237-T251 WeakPolarHBondContact CG-O 3.17Å; R237-L252 HydrophobicContact CB-CD2 4.33Å |
| 238 | C | 97.1 | Very high | 88.4 | Confident | 43 Ų | 43 | 62.9 Ų | 62.9 | 29% | 0.291 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 137.8 | 179.6 | -62.7 | 0 | 0 | 0 | 0 | 110.5 | L213 Y240 | L213-C238 CarbonylContact O-C 3.43Å; L213-C238 VanDerWaalsContact O-CA 3.25Å; L213-C238 WeakPolarHBondContact O-CA 3.3Å; C238-Y240 HydrophobicContact CB-CD2 4.41Å; C238-Y240 HydrophobicContact CB-CE2 3.49Å; C238-Y240 VanDerWaalsContact CB-CE2 3.49Å; C238-Y240 WeakPolarHBondContact CB-OH 3.47Å |
| 239 | V | 96.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 130.1 | 172.5 | -179.3 | 0 | 0 | 0 | 0 | 108.7 | G212 L213 V248 T251 L252 I295 V304 F307 | G212-V239 CarbonylContact C-O 3.6Å; G212-V239 WeakPolarHBondContact CA-O 2.99Å; L213-V239 PolarHBondContact N-O 3.11Å; L213-V239 PolarHBondContact O-N 3.18Å; V239-V248 HydrophobicContact CG1-CG2 3.73Å; V239-T251 HydrophobicContact CG2-CG2 3.82Å; V239-L252 HydrophobicContact CG2-CD1 3.87Å; V239-L252 HydrophobicContact CG2-CD2 4.14Å; V239-L252 HydrophobicContact CG2-CG 3.9Å; V239-I295 HydrophobicContact CG1-CD1 4.42Å; V239-V304 HydrophobicContact CG1-CG2 4.43Å; V239-F307 HydrophobicContact CB-CE1 4.39Å; V239-F307 HydrophobicContact CB-CZ 4.49Å; V239-F307 HydrophobicContact CG1-CE1 3.82Å; V239-F307 HydrophobicContact CG1-CZ 3.93Å |
| 240 | Y | 96.3 | Very high | 92.4 | Very high | 61 Ų | 61 | 60.4 Ų | 60.4 | 24% | 0.239 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 160.2 | -173.9 | -60.9 | -85.8 | 0 | 0 | 0 | 112.2 | L204 C238 G242 D243 | L204-Y240 HydrophobicContact CD1-CD1 4.45Å; L204-Y240 HydrophobicContact CD1-CE1 3.54Å; C238-Y240 HydrophobicContact CB-CD2 4.41Å; C238-Y240 HydrophobicContact CB-CE2 3.49Å; C238-Y240 VanDerWaalsContact CB-CE2 3.49Å; C238-Y240 WeakPolarHBondContact CB-OH 3.47Å; Y240-G242 PolarHBondContact O-N 2.88Å; Y240-D243 PolarHBondContact N-OD2 2.82Å; Y240-D243 WeakPolarHBondContact O-CB 3.33Å; Y240-D243 PolarHBondContact O-N 3.13Å |
| 241 | F | 95.1 | Very high | 93.7 | Very high | 6 Ų | 6 | 60.5 Ų | 60.5 | 3% | 0.026 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | 134.4 | 165.5 | -69.5 | -71.7 | 0 | 0 | 0 | 110.3 | P210 S211 V304 K305 F307 L406 G408 | P210-F241 HydrophobicContact CB-CE2 4.1Å; P210-F241 WeakPolarHBondContact O-CD2 3.33Å; P210-F241 VanDerWaalsContact O-CE2 3.24Å; P210-F241 WeakPolarHBondContact O-CE2 3.39Å; S211-F241 WeakPolarHBondContact O-CD2 3.21Å; S211-F241 PolarHBondContact O-N 2.79Å; S211-F241 VanDerWaalsContact O-N 3.12Å; F241-V304 HydrophobicContact CD1-CG1 4.29Å; F241-K305 WeakPolarHBondContact CE1-O 3.4Å; F241-F307 HydrophobicContact CD1-CD2 4.3Å; F241-F307 AromaticContact CD1-CE2 3.9Å; F241-F307 HydrophobicContact CD1-CE2 3.9Å; F241-F307 HydrophobicContact CD2-CE2 4.12Å; F241-F307 AromaticContact CE1-CD2 3.6Å; F241-F307 HydrophobicContact CE1-CD2 3.6Å; F241-F307 AromaticContact CE1-CE2 3.67Å; F241-F307 HydrophobicContact CE1-CE2 3.67Å; F241-F307 AromaticContact CE2-CD2 4Å; F241-F307 HydrophobicContact CE2-CD2 4Å; F241-F307 AromaticContact CE2-CE2 3.88Å; F241-F307 HydrophobicContact CE2-CE2 3.88Å; F241-F307 HydrophobicContact CG-CE2 4.12Å; F241-F307 AromaticContact CZ-CD2 3.42Å; F241-F307 HydrophobicContact CZ-CD2 3.42Å; F241-F307 VanDerWaalsContact CZ-CD2 3.42Å; F241-F307 AromaticContact CZ-CE2 3.66Å; F241-F307 HydrophobicContact CZ-CE2 3.66Å; F241-L406 HydrophobicContact CZ-CB 4.01Å; F241-G408 VanDerWaalsContact CE1-N 3.3Å |
| 242 | G | 93.6 | Very high | 94.5 | Very high | 21 Ų | 21 | 54.4 Ų | 54.4 | 22% | 0.216 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 90 | -7.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y240 K303 V304 | Y240-G242 PolarHBondContact O-N 2.88Å; G242-K303 VanDerWaalsContact O-CD 3.25Å; G242-K303 WeakPolarHBondContact O-CD 3.43Å; G242-K303 VanDerWaalsContact O-CG 3.28Å; G242-K303 WeakPolarHBondContact O-CG 3.29Å; G242-V304 PolarHBondContact N-O 3.18Å |
| 243 | D | 95.8 | Very high | 94.8 | Very high | 15 Ų | 15 | 52.1 Ų | 52.1 | 8% | 0.08 | 27% | 0.273 | C | S | . | . | trans | -61.9 | 144.9 | 172.6 | -78.3 | -17.6 | 0 | 0 | 0 | 110.4 | Y240 D247 V248 K303 V304 R417 | Y240-D243 PolarHBondContact N-OD2 2.82Å; Y240-D243 WeakPolarHBondContact O-CB 3.33Å; Y240-D243 PolarHBondContact O-N 3.13Å; D243-D247 HydrophobicContact CB-CB 4.1Å; D243-V248 HydrophobicContact CB-CG2 4.3Å; D243-K303 CarbonylContact O-C 3.54Å; D243-K303 VanDerWaalsContact O-CA 3.26Å; D243-K303 WeakPolarHBondContact O-CA 3.42Å; D243-V304 HydrophobicContact CB-CG2 4.23Å; D243-V304 WeakPolarHBondContact O-CG2 3.49Å; D243-V304 PolarHBondContact O-N 2.76Å; D243-R417 IonicContact OD1-CZ 3.98Å; D243-R417 IonicContact OD1-NH2 2.83Å; D243-R417 PolarHBondContact OD1-NH2 2.88Å; D243-R417 IonicContact OD2-NH2 3.81Å | ||
| 244 | S | 96.2 | Very high | 95.1 | Very high | 25 Ų | 25 | 49.3 Ų | 49.3 | 18% | 0.175 | 28% | 0.278 | C | S | . | . | B | Isolated β-bridge | trans | -75.6 | 164.6 | 177.4 | 69.2 | 0 | 0 | 0 | 0 | 111.6 | Q246 D247 V248 | S244-Q246 PolarHBondContact O-N 3.17Å; S244-Q246 PolarHBondContact OG-OE1 3.47Å; S244-D247 WeakPolarHBondContact CB-OD2 3.43Å; S244-D247 PolarHBondContact N-OD2 2.94Å; S244-D247 PolarHBondContact O-N 2.93Å; S244-D247 PolarHBondContact OG-N 3.27Å; S244-D247 VanDerWaalsContact OG-N 3.11Å; S244-D247 PolarHBondContact OG-OD2 2.84Å; S244-V248 WeakPolarHBondContact O-CG2 3.25Å; S244-V248 PolarHBondContact O-N 3.24Å; S244-V248 VanDerWaalsContact O-N 3.09Å |
| 245 | C | 94.9 | Very high | 95.4 | Very high | 16 Ų | 16 | 47.5 Ų | 47.5 | 11% | 0.108 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.7 | -33 | 173.2 | 64.6 | 0 | 0 | 0 | 0 | 112.6 | V248 L249 F286 F297 H302 | C245-V248 PolarHBondContact O-N 3.48Å; C245-L249 WeakPolarHBondContact O-CB 3.35Å; C245-L249 VanDerWaalsContact O-CG 3.23Å; C245-L249 WeakPolarHBondContact O-CG 3.49Å; C245-L249 PolarHBondContact O-N 3.14Å; C245-F286 HydrophobicContact CB-CE2 4.14Å; C245-F286 HydrophobicContact CB-CZ 4.15Å; C245-F297 HydrophobicContact CB-CD1 4.11Å; C245-F297 HydrophobicContact CB-CE1 3.88Å; C245-F297 HydrophobicContact CB-CZ 4.32Å; C245-H302 PolarHBondContact N-O 3.13Å |
| 246 | Q | 95.9 | Very high | 95.5 | Very high | 126 Ų | 126 | 48.3 Ų | 48.3 | 59% | 0.589 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -66.9 | -42.2 | 175.2 | -64.5 | 81.9 | 1.2 | 0 | 0 | 111.7 | S244 V248 L249 S250 | S244-Q246 PolarHBondContact O-N 3.17Å; S244-Q246 PolarHBondContact OG-OE1 3.47Å; Q246-V248 VanDerWaalsContact C-N 3.33Å; Q246-V248 PolarHBondContact O-N 2.87Å; Q246-L249 PolarHBondContact O-N 3.07Å; Q246-S250 WeakPolarHBondContact O-CB 3.37Å; Q246-S250 PolarHBondContact O-N 2.76Å; Q246-S250 PolarHBondContact O-OG 2.81Å |
| 247 | D | 96.7 | Very high | 95.5 | Very high | 54 Ų | 54 | 48.9 Ų | 48.9 | 29% | 0.289 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -59.6 | -47.3 | 176.1 | -64.2 | -47.8 | 0 | 0 | 0 | 110.3 | D243 S244 L249 S250 T251 | D243-D247 HydrophobicContact CB-CB 4.1Å; S244-D247 WeakPolarHBondContact CB-OD2 3.43Å; S244-D247 PolarHBondContact N-OD2 2.94Å; S244-D247 PolarHBondContact O-N 2.93Å; S244-D247 PolarHBondContact OG-N 3.27Å; S244-D247 VanDerWaalsContact OG-N 3.11Å; S244-D247 PolarHBondContact OG-OD2 2.84Å; D247-L249 PolarHBondContact O-N 3.44Å; D247-S250 PolarHBondContact O-N 3.2Å; D247-S250 PolarHBondContact O-OG 2.92Å; D247-T251 VanDerWaalsContact O-CB 3.24Å; D247-T251 WeakPolarHBondContact O-CB 3.3Å; D247-T251 PolarHBondContact O-N 3.46Å; D247-T251 PolarHBondContact O-OG1 2.92Å |
| 248 | V | 96.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.5 | -45.2 | 178.4 | 177.8 | 0 | 0 | 0 | 0 | 111.5 | V239 D243 S244 C245 Q246 S250 T251 L252 F286 Y288 I295 F297 V304 | V239-V248 HydrophobicContact CG1-CG2 3.73Å; D243-V248 HydrophobicContact CB-CG2 4.3Å; S244-V248 WeakPolarHBondContact O-CG2 3.25Å; S244-V248 PolarHBondContact O-N 3.24Å; S244-V248 VanDerWaalsContact O-N 3.09Å; C245-V248 PolarHBondContact O-N 3.48Å; Q246-V248 VanDerWaalsContact C-N 3.33Å; Q246-V248 PolarHBondContact O-N 2.87Å; V248-S250 PolarHBondContact O-N 3.48Å; V248-T251 PolarHBondContact O-N 2.85Å; V248-L252 HydrophobicContact CG1-CD1 4.19Å; V248-L252 PolarHBondContact O-N 3.46Å; V248-F286 HydrophobicContact CG1-CD2 4.44Å; V248-Y288 HydrophobicContact CG1-CE2 4.37Å; V248-I295 HydrophobicContact CG1-CD1 3.71Å; V248-F297 HydrophobicContact CB-CE1 4.42Å; V248-F297 HydrophobicContact CB-CZ 3.96Å; V248-F297 HydrophobicContact CG1-CZ 4.11Å; V248-F297 HydrophobicContact CG2-CE1 3.93Å; V248-F297 HydrophobicContact CG2-CZ 3.78Å; V248-V304 HydrophobicContact CG2-CG2 3.64Å |
| 249 | L | 95.9 | Very high | 95.3 | Very high | 67 Ų | 67 | 49 Ų | 49 | 35% | 0.351 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.9 | -41.5 | 178 | -74.3 | 169.6 | 0 | 0 | 0 | 112.3 | C245 Q246 D247 T251 G253 F286 | C245-L249 WeakPolarHBondContact O-CB 3.35Å; C245-L249 VanDerWaalsContact O-CG 3.23Å; C245-L249 WeakPolarHBondContact O-CG 3.49Å; C245-L249 PolarHBondContact O-N 3.14Å; Q246-L249 PolarHBondContact O-N 3.07Å; D247-L249 PolarHBondContact O-N 3.44Å; L249-T251 PolarHBondContact O-N 2.94Å; L249-G253 WeakPolarHBondContact CD2-O 3.49Å; L249-G253 WeakPolarHBondContact O-CA 3.13Å; L249-G253 PolarHBondContact O-N 2.98Å; L249-F286 HydrophobicContact CD1-CE2 4.33Å; L249-F286 HydrophobicContact CD2-CE2 3.96Å; L249-F286 HydrophobicContact CG-CE2 3.92Å |
| 250 | S | 94.8 | Very high | 94.9 | Very high | 97 Ų | 97 | 56 Ų | 56 | 68% | 0.678 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -67.3 | -27.6 | 177.2 | 71.5 | 0 | 0 | 0 | 0 | 112.5 | Q246 D247 V248 | Q246-S250 WeakPolarHBondContact O-CB 3.37Å; Q246-S250 PolarHBondContact O-N 2.76Å; Q246-S250 PolarHBondContact O-OG 2.81Å; D247-S250 PolarHBondContact O-N 3.2Å; D247-S250 PolarHBondContact O-OG 2.92Å; V248-S250 PolarHBondContact O-N 3.48Å |
| 251 | T | 94.6 | Very high | 94.3 | Very high | 27 Ų | 27 | 55.5 Ų | 55.5 | 17% | 0.166 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -87.2 | -45.2 | -175.8 | -62.2 | 0 | 0 | 0 | 0 | 112.3 | R237 V239 D247 V248 L249 | R237-T251 HydrophobicContact CB-CG2 3.64Å; R237-T251 HydrophobicContact CG-CG2 4.09Å; R237-T251 WeakPolarHBondContact CG-O 3.17Å; V239-T251 HydrophobicContact CG2-CG2 3.82Å; D247-T251 VanDerWaalsContact O-CB 3.24Å; D247-T251 WeakPolarHBondContact O-CB 3.3Å; D247-T251 PolarHBondContact O-N 3.46Å; D247-T251 PolarHBondContact O-OG1 2.92Å; V248-T251 PolarHBondContact O-N 2.85Å; L249-T251 PolarHBondContact O-N 2.94Å |
| 252 | L | 94.6 | Very high | 93.2 | Very high | 12 Ų | 12 | 59.5 Ų | 59.5 | 6% | 0.063 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -109.9 | -13.2 | -172.6 | -58.5 | -174.8 | 0 | 0 | 0 | 114.2 | L215 L217 R237 V239 V248 Y288 L291 I295 | L215-L252 HydrophobicContact CD1-CD2 4.21Å; L215-L252 HydrophobicContact CD2-CD2 4.3Å; L217-L252 HydrophobicContact CD1-CD2 3.9Å; R237-L252 HydrophobicContact CB-CD2 4.33Å; V239-L252 HydrophobicContact CG2-CD1 3.87Å; V239-L252 HydrophobicContact CG2-CD2 4.14Å; V239-L252 HydrophobicContact CG2-CG 3.9Å; V248-L252 HydrophobicContact CG1-CD1 4.19Å; V248-L252 PolarHBondContact O-N 3.46Å; L252-Y288 HydrophobicContact CB-CE1 3.96Å; L252-Y288 HydrophobicContact CD1-CE2 4.21Å; L252-L291 HydrophobicContact CD1-CD1 4.3Å; L252-I295 HydrophobicContact CD1-CD1 3.78Å |
| 253 | G | 93 | Very high | 92 | Very high | 33 Ų | 33 | 64.3 Ų | 64.3 | 34% | 0.34 | 35% | 0.348 | S | S | . | . | trans | 85.1 | -167.5 | -170.6 | 0 | 0 | 0 | 0 | 0 | 113 | L249 Y288 | L249-G253 WeakPolarHBondContact CD2-O 3.49Å; L249-G253 WeakPolarHBondContact O-CA 3.13Å; L249-G253 PolarHBondContact O-N 2.98Å; G253-Y288 PolarHBondContact O-OH 2.85Å; G253-Y288 VanDerWaalsContact O-OH 3.14Å | ||
| 254 | S | 93.4 | Very high | 90.8 | Very high | 98 Ų | 98 | 66.3 Ų | 66.3 | 69% | 0.685 | 36% | 0.359 | S | S | * | . | trans | -72.1 | 139 | -178.6 | 54.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 255 | P | 96.3 | Very high | 89.8 | Confident | 26 Ų | 26 | 72.5 Ų | 72.5 | 17% | 0.169 | 38% | 0.382 | C | S | . | . | trans | -70 | 158.2 | 170.9 | 31.9 | -36.4 | 0 | 0 | 0 | 111.3 | V258 F286 Y288 | P255-V258 HydrophobicContact CG-CG2 3.93Å; P255-F286 HydrophobicContact CB-CB 3.79Å; P255-F286 HydrophobicContact CB-CG 4.05Å; P255-F286 HydrophobicContact CG-CB 4.12Å; P255-F286 HydrophobicContact CG-CD1 3.96Å; P255-F286 HydrophobicContact CG-CD2 4.12Å; P255-F286 HydrophobicContact CG-CE1 4.38Å; P255-F286 HydrophobicContact CG-CG 3.8Å; P255-Y288 HydrophobicContact CB-CE1 4.12Å; P255-Y288 HydrophobicContact CB-CE2 4.26Å | ||
| 256 | H | 95.7 | Very high | 88.7 | Confident | 74 Ų | 74 | 77 Ų | 77 | 34% | 0.343 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -75.1 | -32.6 | 176.4 | -65.9 | 67.6 | 0 | 0 | 0 | 111.5 | N287 F289 T290 | H256-N287 PolarHBondContact N-O 3.3Å; H256-F289 HydrophobicContact CB-CB 4.45Å; H256-F289 HydrophobicContact CB-CD2 3.29Å; H256-F289 HydrophobicContact CB-CE2 3.65Å; H256-F289 HydrophobicContact CB-CG 4.01Å; H256-F289 AromaticContact CG-CD2 3.81Å; H256-T290 PolarHBondContact CE1-OG1 2.85Å; H256-T290 WeakPolarHBondContact NE2-CG2 3.44Å |
| 257 | K | 96.3 | Very high | 87.5 | Confident | 115 Ų | 115 | 75.1 Ų | 75.1 | 50% | 0.5 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 145 | 178.2 | -170.9 | 173.7 | -178.8 | 177.9 | 0 | 110.2 | N287 F289 | K257-N287 HydrophobicContact CB-CB 4.2Å; K257-N287 PolarHBondContact N-O 2.88Å; K257-N287 PolarHBondContact O-N 3.05Å; K257-N287 PolarHBondContact O-OD1 3.05Å; K257-F289 HydrophobicContact CB-CE2 3.99Å; K257-F289 HydrophobicContact CB-CZ 3.78Å; K257-F289 HydrophobicContact CD-CZ 4.21Å |
| 258 | V | 95.8 | Very high | 86.3 | Confident | 58 Ų | 58 | 78.4 Ų | 78.4 | 35% | 0.352 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 128.1 | 167.2 | -176 | 0 | 0 | 0 | 0 | 108.1 | P255 Y260 Y284 F285 F286 | P255-V258 HydrophobicContact CG-CG2 3.93Å; V258-Y260 HydrophobicContact CG1-CD2 4.45Å; V258-Y260 HydrophobicContact CG1-CE2 3.77Å; V258-Y284 HydrophobicContact CG1-CD2 4.23Å; V258-F285 VanDerWaalsContact CA-O 3.27Å; V258-F285 WeakPolarHBondContact CA-O 3.25Å; V258-F286 HydrophobicContact CG1-CD1 4.18Å; V258-F286 HydrophobicContact CG1-CE1 4.13Å; V258-F286 HydrophobicContact CG2-CD1 3.82Å; V258-F286 HydrophobicContact CG2-CE1 3.81Å |
| 259 | F | 92.7 | Very high | 85.2 | Confident | 97 Ų | 97 | 84.9 Ų | 84.9 | 43% | 0.425 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 123.1 | -179.8 | 174.7 | -99.8 | 0 | 0 | 0 | 111 | Y284 F285 | F259-Y284 CarbonylContact O-C 3.49Å; F259-Y284 VanDerWaalsContact O-CA 3.26Å; F259-Y284 WeakPolarHBondContact O-CA 3.43Å; F259-F285 HydrophobicContact CB-CB 4.37Å; F259-F285 AromaticContact CD1-CD2 3.91Å; F259-F285 HydrophobicContact CD1-CD2 3.91Å; F259-F285 PolarHBondContact N-O 2.92Å; F259-F285 PolarHBondContact O-N 3.02Å |
| 260 | Y | 88.9 | Confident | 84 | Confident | 148 Ų | 148 | 83 Ų | 83 | 58% | 0.58 | 43% | 0.432 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 126.9 | 178.4 | -63.4 | -90.9 | 0 | 0 | 0 | 110.2 | V258 S262 Y284 | V258-Y260 HydrophobicContact CG1-CD2 4.45Å; V258-Y260 HydrophobicContact CG1-CE2 3.77Å; Y260-S262 PolarHBondContact O-N 2.77Å; Y260-S262 VanDerWaalsContact O-N 3.12Å; Y260-Y284 HydrophobicContact CD1-CG 4.27Å; Y260-Y284 HydrophobicContact CE1-CD1 4.34Å; Y260-Y284 HydrophobicContact CE1-CG 4.04Å |
| 261 | K | 84 | Confident | 82.6 | Confident | 50 Ų | 50 | 84.1 Ų | 84.1 | 22% | 0.217 | 44% | 0.437 | C | S | . | . | trans | -72.9 | 103.5 | -178.2 | -174 | 179.6 | 179.1 | -175 | 0 | 110 | E263 D264 N282 D283 | K261-E263 WeakPolarHBondContact CE-O 3.29Å; K261-E263 WeakPolarHBondContact CG-O 3.43Å; K261-E263 PolarHBondContact O-N 3.19Å; K261-D264 IonicContact NZ-OD1 2.77Å; K261-D264 PolarHBondContact NZ-OD1 3.36Å; K261-D264 IonicContact NZ-OD2 2.64Å; K261-D264 PolarHBondContact NZ-OD2 3.13Å; K261-N282 WeakPolarHBondContact O-CB 3.39Å; K261-N282 PolarHBondContact O-ND2 3.04Å; K261-N282 PolarHBondContact O-OD1 2.78Å; K261-D283 WeakPolarHBondContact CB-O 3.24Å; K261-D283 PolarHBondContact N-O 2.84Å | ||
| 262 | S | 71.3 | Confident | 81.3 | Confident | 90 Ų | 90 | 85.8 Ų | 85.8 | 63% | 0.629 | 45% | 0.45 | S | S | * | . | trans | -68.7 | -33.3 | -179.2 | 51.7 | 0 | 0 | 0 | 0 | 113.8 | Y260 | Y260-S262 PolarHBondContact O-N 2.77Å; Y260-S262 VanDerWaalsContact O-N 3.12Å | ||
| 263 | E | 69 | Low | 79.7 | Confident | 123 Ų | 123 | 87.8 Ų | 87.8 | 58% | 0.575 | 46% | 0.464 | S | S | * | . | trans | -141.6 | 145.6 | -174.8 | -67.9 | 179 | -177.2 | 0 | 0 | 111.7 | K261 K265 | K261-E263 WeakPolarHBondContact CE-O 3.29Å; K261-E263 WeakPolarHBondContact CG-O 3.43Å; K261-E263 PolarHBondContact O-N 3.19Å; E263-K265 WeakPolarHBondContact OE2-CE 3.48Å; E263-K265 IonicContact OE2-NZ 2.75Å | ||
| 264 | D | 70.7 | Confident | 78.3 | Confident | 56 Ų | 56 | 95.1 Ų | 95.1 | 30% | 0.299 | 49% | 0.488 | S | S | . | . | trans | -116.7 | 79.2 | 172 | -163.6 | -1.2 | 0 | 0 | 0 | 111.1 | K261 M266 K267 | K261-D264 IonicContact NZ-OD1 2.77Å; K261-D264 PolarHBondContact NZ-OD1 3.36Å; K261-D264 IonicContact NZ-OD2 2.64Å; K261-D264 PolarHBondContact NZ-OD2 3.13Å; D264-M266 PolarHBondContact O-N 2.9Å; D264-M266 VanDerWaalsContact O-N 3.09Å; D264-M266 PolarHBondContact OD1-N 3.36Å; D264-K267 HydrophobicContact CB-CD 3.85Å; D264-K267 HydrophobicContact CB-CG 3.78Å; D264-K267 WeakPolarHBondContact O-CB 3.34Å; D264-K267 WeakPolarHBondContact O-CG 3.45Å; D264-K267 PolarHBondContact O-N 3.14Å | ||
| 265 | K | 74.1 | Confident | 76.6 | Confident | 155 Ų | 155 | 99 Ų | 99 | 67% | 0.674 | 49% | 0.493 | S | S | * | . | G | 310 helix | trans | -59 | -21.7 | -178.9 | -62.3 | -175.3 | 179.1 | -177.3 | 0 | 113 | E263 K267 | E263-K265 WeakPolarHBondContact OE2-CE 3.48Å; E263-K265 IonicContact OE2-NZ 2.75Å; K265-K267 VanDerWaalsContact C-N 3.33Å |
| 266 | M | 73.3 | Confident | 74.9 | Confident | 111 Ų | 111 | 102.8 Ų | 102.8 | 55% | 0.547 | 51% | 0.508 | S | S | . | . | G | 310 helix | trans | -82.7 | -5.5 | 179 | -60.7 | -54.2 | -69.5 | 0 | 0 | 113.7 | D264 I268 H269 | D264-M266 PolarHBondContact O-N 2.9Å; D264-M266 VanDerWaalsContact O-N 3.09Å; D264-M266 PolarHBondContact OD1-N 3.36Å; M266-I268 PolarHBondContact O-N 2.77Å; M266-I268 VanDerWaalsContact O-N 3.14Å; M266-H269 PolarHBondContact O-N 3.49Å; M266-H269 VanDerWaalsContact O-N 3.15Å |
| 267 | K | 69.8 | Low | 73.1 | Confident | 87 Ų | 87 | 105.4 Ų | 105.4 | 38% | 0.378 | 53% | 0.529 | S | S | . | . | G | 310 helix | trans | -58.5 | -25.4 | 176.7 | -82.7 | 178.7 | 178.6 | 178.5 | 0 | 113.6 | D264 K265 H269 S270 | D264-K267 HydrophobicContact CB-CD 3.85Å; D264-K267 HydrophobicContact CB-CG 3.78Å; D264-K267 WeakPolarHBondContact O-CB 3.34Å; D264-K267 WeakPolarHBondContact O-CG 3.45Å; D264-K267 PolarHBondContact O-N 3.14Å; K265-K267 VanDerWaalsContact C-N 3.33Å; K267-H269 PolarHBondContact O-N 3.26Å; K267-H269 VanDerWaalsContact O-N 3.14Å; K267-S270 WeakPolarHBondContact O-CB 3.14Å; K267-S270 PolarHBondContact O-N 2.87Å; K267-S270 PolarHBondContact O-OG 2.91Å |
| 268 | I | 72.3 | Confident | 71.3 | Confident | 123 Ų | 123 | 105.1 Ų | 105.1 | 63% | 0.631 | 54% | 0.539 | S | S | * | . | G | 310 helix | trans | -59.7 | -24.4 | 178.6 | 66.1 | 177.3 | 0 | 0 | 0 | 113 | M266 S270 | M266-I268 PolarHBondContact O-N 2.77Å; M266-I268 VanDerWaalsContact O-N 3.14Å; I268-S270 VanDerWaalsContact C-N 3.35Å |
| 269 | H | 73.3 | Confident | 69.5 | Low | 135 Ų | 135 | 104.7 Ų | 104.7 | 63% | 0.625 | 54% | 0.539 | S | S | * | . | G | 310 helix | trans | -89.2 | -2.1 | 179 | -57.4 | -71.3 | 0 | 0 | 0 | 113 | M266 K267 | M266-H269 PolarHBondContact O-N 3.49Å; M266-H269 VanDerWaalsContact O-N 3.15Å; K267-H269 PolarHBondContact O-N 3.26Å; K267-H269 VanDerWaalsContact O-N 3.14Å |
| 270 | S | 70.4 | Confident | 68.2 | Low | 28 Ų | 28 | 110.1 Ų | 110.1 | 20% | 0.196 | 56% | 0.562 | C | S | . | * | S | Bend | trans | -73.4 | 142.7 | 175.5 | 68.5 | 0 | 0 | 0 | 0 | 110.6 | K267 I268 S272 P273 | K267-S270 WeakPolarHBondContact O-CB 3.14Å; K267-S270 PolarHBondContact O-N 2.87Å; K267-S270 PolarHBondContact O-OG 2.91Å; I268-S270 VanDerWaalsContact C-N 3.35Å; S270-S272 PolarHBondContact O-N 3.44Å; S270-P273 WeakPolarHBondContact O-CD 3.5Å |
| 271 | P | 64.9 | Low | 67.4 | Low | 120 Ų | 120 | 106.4 Ų | 106.4 | 78% | 0.779 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -66 | 111.6 | 172.3 | 24.7 | -30.1 | 0 | 0 | 0 | 108.7 | ||
| 272 | S | 67.1 | Low | 67.4 | Low | 62 Ų | 62 | 107.9 Ų | 107.9 | 43% | 0.434 | 57% | 0.567 | S | S | . | * | trans | 77.8 | 63.1 | -176.3 | -42.4 | 0 | 0 | 0 | 0 | 115.9 | S270 H274 K275 | S270-S272 PolarHBondContact O-N 3.44Å; S272-H274 PolarHBondContact O-N 2.77Å; S272-K275 PolarHBondContact O-N 3.4Å; S272-K275 VanDerWaalsContact O-N 3.13Å | ||
| 273 | P | 61.9 | Low | 68.3 | Low | 55 Ų | 55 | 104.6 Ų | 104.6 | 36% | 0.357 | 54% | 0.543 | S | S | . | . | G | 310 helix | trans | -62 | -29.6 | -178.9 | 26.5 | -32.7 | 0 | 0 | 0 | 112.7 | S270 | S270-P273 WeakPolarHBondContact O-CD 3.5Š|
| 274 | H | 64.1 | Low | 69.5 | Low | 186 Ų | 186 | 99.5 Ų | 99.5 | 86% | 0.861 | 52% | 0.518 | S | S | * | . | G | 310 helix | trans | -79.4 | -16.1 | -180 | -56.6 | -57.9 | 0 | 0 | 0 | 114.7 | S272 | S272-H274 PolarHBondContact O-N 2.77Š|
| 275 | K | 57.9 | Low | 70.7 | Confident | 180 Ų | 180 | 98.5 Ų | 98.5 | 78% | 0.783 | 51% | 0.512 | S | S | * | . | G | 310 helix | trans | -91.4 | -10.6 | -179.9 | -70.1 | -173.6 | 178.9 | 178 | 0 | 113 | S272 V277 | S272-K275 PolarHBondContact O-N 3.4Å; S272-K275 VanDerWaalsContact O-N 3.13Å; K275-V277 PolarHBondContact O-N 2.58Å |
| 276 | Q | 59.6 | Low | 71.9 | Confident | 105 Ų | 105 | 92 Ų | 92 | 49% | 0.491 | 48% | 0.483 | S | S | . | . | S | Bend | trans | -85.1 | 116.3 | 178.5 | -65.3 | -169.1 | 6.6 | 0 | 0 | 109.6 | ||
| 277 | V | 57.6 | Low | 73 | Confident | 129 Ų | 129 | 87.3 Ų | 87.3 | 78% | 0.782 | 46% | 0.46 | S | S | * | . | P | Polyproline II helix | trans | -56.9 | 133.2 | 171.8 | -178.3 | 0 | 0 | 0 | 0 | 108.4 | K275 S279 | K275-V277 PolarHBondContact O-N 2.58Å; V277-S279 PolarHBondContact O-N 3.47Å; V277-S279 VanDerWaalsContact O-N 3.08Å |
| 278 | P | 58.3 | Low | 74.4 | Confident | 110 Ų | 110 | 83.3 Ų | 83.3 | 71% | 0.714 | 44% | 0.443 | S | S | * | . | P | Polyproline II helix | trans | -54.1 | 120.5 | 172.4 | -21.1 | 30.8 | 0 | 0 | 0 | 109.2 | K280 | P278-K280 PolarHBondContact O-N 2.64Š|
| 279 | S | 58.8 | Low | 75.5 | Confident | 49 Ų | 49 | 79.8 Ų | 79.8 | 34% | 0.343 | 42% | 0.423 | S | S | . | . | P | Polyproline II helix | trans | -58.9 | 130.8 | 175.8 | -139.8 | 0 | 0 | 0 | 0 | 108.5 | V277 C281 N300 | V277-S279 PolarHBondContact O-N 3.47Å; V277-S279 VanDerWaalsContact O-N 3.08Å; S279-C281 WeakPolarHBondContact CB-O 3.38Å; S279-C281 PolarHBondContact O-N 2.77Å; S279-N300 PolarHBondContact OG-ND2 3.32Å |
| 280 | K | 64.9 | Low | 76.6 | Confident | 211 Ų | 211 | 74 Ų | 74 | 92% | 0.917 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -64 | -26 | 179 | -74.7 | -177.6 | 177.4 | -179.8 | 0 | 112.3 | P278 | P278-K280 PolarHBondContact O-N 2.64Š|
| 281 | C | 71.9 | Confident | 77.9 | Confident | 70 Ų | 70 | 72.8 Ų | 72.8 | 47% | 0.473 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -123 | 150.2 | -179.2 | -63.1 | 0 | 0 | 0 | 0 | 110.4 | S279 A299 | S279-C281 WeakPolarHBondContact CB-O 3.38Å; S279-C281 PolarHBondContact O-N 2.77Å; C281-A299 VanDerWaalsContact C-CB 3.48Å; C281-A299 HydrophobicContact CB-CB 3.67Å; C281-A299 WeakPolarHBondContact O-CB 3.09Å |
| 282 | N | 84.1 | Confident | 79.4 | Confident | 80 Ų | 80 | 67 Ų | 67 | 43% | 0.428 | 35% | 0.351 | S | S | . | . | trans | -99.8 | 138.9 | -178.6 | -79.2 | -26.3 | 0 | 0 | 0 | 111.5 | K261 A299 | K261-N282 WeakPolarHBondContact O-CB 3.39Å; K261-N282 PolarHBondContact O-ND2 3.04Å; K261-N282 PolarHBondContact O-OD1 2.78Å; N282-A299 VanDerWaalsContact O-CB 3.3Å; N282-A299 WeakPolarHBondContact O-CB 3.41Å | ||
| 283 | D | 90.9 | Very high | 80.9 | Confident | 22 Ų | 22 | 64.1 Ų | 64.1 | 12% | 0.118 | 33% | 0.331 | C | S | . | . | trans | -57 | 148.8 | 173.6 | -71.8 | -3.7 | 0 | 0 | 0 | 109 | K261 L296 F297 D298 A299 K305 | K261-D283 WeakPolarHBondContact CB-O 3.24Å; K261-D283 PolarHBondContact N-O 2.84Å; D283-L296 HydrophobicContact CB-CD1 3.76Å; D283-L296 HydrophobicContact CB-CG 4.4Å; D283-F297 WeakPolarHBondContact CA-O 3.3Å; D283-F297 WeakPolarHBondContact CB-O 3.39Å; D283-D298 WeakPolarHBondContact OD1-CA 3.44Å; D283-A299 PolarHBondContact OD1-N 2.94Å; D283-K305 IonicContact OD2-NZ 2.93Å; D283-K305 PolarHBondContact OD2-NZ 3.17Å | ||
| 284 | Y | 94.2 | Very high | 82.6 | Confident | 15 Ų | 15 | 62 Ų | 62 | 6% | 0.059 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 148.3 | -176.1 | 63.9 | -86.2 | 0 | 0 | 0 | 112.4 | V258 F259 Y260 F286 L296 F297 H302 | V258-Y284 HydrophobicContact CG1-CD2 4.23Å; F259-Y284 CarbonylContact O-C 3.49Å; F259-Y284 VanDerWaalsContact O-CA 3.26Å; F259-Y284 WeakPolarHBondContact O-CA 3.43Å; Y260-Y284 HydrophobicContact CD1-CG 4.27Å; Y260-Y284 HydrophobicContact CE1-CD1 4.34Å; Y260-Y284 HydrophobicContact CE1-CG 4.04Å; Y284-F286 HydrophobicContact CD2-CD1 4.15Å; Y284-F286 AromaticContact CD2-CE1 3.91Å; Y284-F286 HydrophobicContact CD2-CE1 3.91Å; Y284-F286 HydrophobicContact CE2-CD1 4.18Å; Y284-F286 AromaticContact CE2-CE1 3.62Å; Y284-F286 HydrophobicContact CE2-CE1 3.62Å; Y284-F286 HydrophobicContact CE2-CZ 4.09Å; Y284-L296 WeakPolarHBondContact O-CD1 3.48Å; Y284-F297 HydrophobicContact CD1-CB 4.21Å; Y284-F297 HydrophobicContact CD2-CB 4.15Å; Y284-F297 HydrophobicContact CD2-CD2 4.05Å; Y284-F297 HydrophobicContact CD2-CG 4.42Å; Y284-F297 HydrophobicContact CE1-CB 3.71Å; Y284-F297 HydrophobicContact CE2-CB 3.65Å; Y284-F297 AromaticContact CE2-CD2 3.6Å; Y284-F297 HydrophobicContact CE2-CD2 3.6Å; Y284-F297 HydrophobicContact CE2-CE2 4.47Å; Y284-F297 AromaticContact CE2-CG 3.72Å; Y284-F297 HydrophobicContact CE2-CG 3.72Å; Y284-F297 HydrophobicContact CG-CB 4.41Å; Y284-F297 AromaticContact CZ-CG 3.82Å; Y284-F297 PolarHBondContact N-O 3.24Å; Y284-F297 PolarHBondContact O-N 2.96Å; Y284-H302 AromaticContact CE1-CE1 3.96Å; Y284-H302 AromaticContact CE1-ND1 3.42Å; Y284-H302 WeakPolarHBondContact CE1-ND1 3.14Å; Y284-H302 AromaticContact CZ-ND1 3.6Å; Y284-H302 PolarHBondContact OH-ND1 2.86Å |
| 285 | F | 96.4 | Very high | 84.2 | Confident | 36 Ų | 36 | 53.2 Ų | 53.2 | 16% | 0.158 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 139.5 | 179.8 | -71.7 | -90 | 0 | 0 | 0 | 111 | V258 F259 D294 I295 L296 V308 | V258-F285 VanDerWaalsContact CA-O 3.27Å; V258-F285 WeakPolarHBondContact CA-O 3.25Å; F259-F285 HydrophobicContact CB-CB 4.37Å; F259-F285 AromaticContact CD1-CD2 3.91Å; F259-F285 HydrophobicContact CD1-CD2 3.91Å; F259-F285 PolarHBondContact N-O 2.92Å; F259-F285 PolarHBondContact O-N 3.02Å; F285-D294 HydrophobicContact CD1-CB 4.01Å; F285-I295 CarbonylContact C-O 3.59Å; F285-I295 VanDerWaalsContact CA-O 3.31Å; F285-I295 WeakPolarHBondContact CA-O 3.24Å; F285-L296 HydrophobicContact CD1-CB 3.9Å; F285-L296 HydrophobicContact CD1-CD1 4.01Å; F285-L296 HydrophobicContact CD2-CD1 3.68Å; F285-L296 HydrophobicContact CE1-CB 3.64Å; F285-L296 HydrophobicContact CE1-CD1 3.84Å; F285-L296 HydrophobicContact CE1-CD2 4.37Å; F285-L296 HydrophobicContact CE1-CG 4.15Å; F285-L296 HydrophobicContact CE2-CD1 3.5Å; F285-L296 VanDerWaalsContact CE2-CD1 3.5Å; F285-L296 HydrophobicContact CG-CD1 3.95Å; F285-L296 HydrophobicContact CZ-CB 4.14Å; F285-L296 HydrophobicContact CZ-CD1 3.6Å; F285-L296 HydrophobicContact CZ-CD2 4.07Å; F285-L296 HydrophobicContact CZ-CG 4.14Å; F285-V308 HydrophobicContact CE1-CG2 4.5Å |
| 286 | F | 97.9 | Very high | 86 | Confident | 18 Ų | 18 | 45 Ų | 45 | 8% | 0.079 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 117.3 | 154.2 | -74.4 | 0.8 | 0 | 0 | 0 | 108.2 | C245 V248 L249 P255 V258 Y284 Y288 D294 I295 F297 | C245-F286 HydrophobicContact CB-CE2 4.14Å; C245-F286 HydrophobicContact CB-CZ 4.15Å; V248-F286 HydrophobicContact CG1-CD2 4.44Å; L249-F286 HydrophobicContact CD1-CE2 4.33Å; L249-F286 HydrophobicContact CD2-CE2 3.96Å; L249-F286 HydrophobicContact CG-CE2 3.92Å; P255-F286 HydrophobicContact CB-CB 3.79Å; P255-F286 HydrophobicContact CB-CG 4.05Å; P255-F286 HydrophobicContact CG-CB 4.12Å; P255-F286 HydrophobicContact CG-CD1 3.96Å; P255-F286 HydrophobicContact CG-CD2 4.12Å; P255-F286 HydrophobicContact CG-CE1 4.38Å; P255-F286 HydrophobicContact CG-CG 3.8Å; V258-F286 HydrophobicContact CG1-CD1 4.18Å; V258-F286 HydrophobicContact CG1-CE1 4.13Å; V258-F286 HydrophobicContact CG2-CD1 3.82Å; V258-F286 HydrophobicContact CG2-CE1 3.81Å; Y284-F286 HydrophobicContact CD2-CD1 4.15Å; Y284-F286 AromaticContact CD2-CE1 3.91Å; Y284-F286 HydrophobicContact CD2-CE1 3.91Å; Y284-F286 HydrophobicContact CE2-CD1 4.18Å; Y284-F286 AromaticContact CE2-CE1 3.62Å; Y284-F286 HydrophobicContact CE2-CE1 3.62Å; Y284-F286 HydrophobicContact CE2-CZ 4.09Å; F286-Y288 HydrophobicContact CB-CD2 4.39Å; F286-Y288 HydrophobicContact CB-CE2 3.72Å; F286-Y288 HydrophobicContact CD2-CE2 4.49Å; F286-D294 WeakPolarHBondContact O-CA 3.5Å; F286-I295 PolarHBondContact N-O 3.42Å; F286-I295 PolarHBondContact O-N 3.06Å; F286-F297 HydrophobicContact CB-CE2 3.88Å; F286-F297 HydrophobicContact CD1-CD2 4.37Å; F286-F297 HydrophobicContact CD1-CE2 4.06Å; F286-F297 HydrophobicContact CD2-CD2 4.38Å; F286-F297 AromaticContact CD2-CE2 3.38Å; F286-F297 HydrophobicContact CD2-CE2 3.38Å; F286-F297 AromaticContact CD2-CZ 3.71Å; F286-F297 HydrophobicContact CD2-CZ 3.71Å; F286-F297 HydrophobicContact CE1-CE2 4.49Å; F286-F297 AromaticContact CE2-CE2 3.86Å; F286-F297 HydrophobicContact CE2-CE2 3.86Å; F286-F297 AromaticContact CE2-CZ 3.96Å; F286-F297 HydrophobicContact CE2-CZ 3.96Å; F286-F297 HydrophobicContact CG-CD2 4.23Å; F286-F297 AromaticContact CG-CE2 3.49Å; F286-F297 HydrophobicContact CG-CE2 3.49Å; F286-F297 VanDerWaalsContact CG-CE2 3.49Å; F286-F297 HydrophobicContact CG-CZ 4.29Å; F286-F297 HydrophobicContact CZ-CE2 4.4Å |
| 287 | N | 97.9 | Very high | 87.7 | Confident | 12 Ų | 12 | 40 Ų | 40 | 6% | 0.064 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 117.2 | 178.2 | -54.6 | 110.4 | 0 | 0 | 0 | 109.8 | H256 K257 F289 D294 | H256-N287 PolarHBondContact N-O 3.3Å; K257-N287 HydrophobicContact CB-CB 4.2Å; K257-N287 PolarHBondContact N-O 2.88Å; K257-N287 PolarHBondContact O-N 3.05Å; K257-N287 PolarHBondContact O-OD1 3.05Å; N287-F289 HydrophobicContact CB-CD1 4.18Å; N287-F289 HydrophobicContact CB-CE1 3.58Å; N287-F289 HydrophobicContact CB-CZ 3.93Å; N287-D294 WeakPolarHBondContact CA-OD1 3.44Å; N287-D294 WeakPolarHBondContact CB-OD1 3.25Å; N287-D294 PolarHBondContact ND2-OD1 3.43Å |
| 288 | Y | 97.6 | Very high | 89.3 | Confident | 4 Ų | 4 | 35.3 Ų | 35.3 | 2% | 0.016 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 82.1 | 175.3 | -65.9 | -89.6 | 0 | 0 | 0 | 109.6 | V248 L252 G253 P255 F286 T290 L291 G292 V293 I295 | V248-Y288 HydrophobicContact CG1-CE2 4.37Å; L252-Y288 HydrophobicContact CB-CE1 3.96Å; L252-Y288 HydrophobicContact CD1-CE2 4.21Å; G253-Y288 PolarHBondContact O-OH 2.85Å; G253-Y288 VanDerWaalsContact O-OH 3.14Å; P255-Y288 HydrophobicContact CB-CE1 4.12Å; P255-Y288 HydrophobicContact CB-CE2 4.26Å; F286-Y288 HydrophobicContact CB-CD2 4.39Å; F286-Y288 HydrophobicContact CB-CE2 3.72Å; F286-Y288 HydrophobicContact CD2-CE2 4.49Å; Y288-T290 VanDerWaalsContact C-N 3.32Å; Y288-T290 PolarHBondContact O-N 3.1Å; Y288-L291 HydrophobicContact CD1-CD1 3.9Å; Y288-L291 HydrophobicContact CG-CD1 3.91Å; Y288-L291 HydrophobicContact CG-CG 4.46Å; Y288-L291 PolarHBondContact O-N 3.08Å; Y288-G292 PolarHBondContact O-N 3.34Å; Y288-V293 WeakPolarHBondContact CA-O 3.3Å; Y288-V293 WeakPolarHBondContact CB-O 3.43Å; Y288-V293 PolarHBondContact N-O 2.78Å; Y288-V293 PolarHBondContact O-N 3.27Å; Y288-I295 HydrophobicContact CD2-CD1 4.27Å; Y288-I295 HydrophobicContact CD2-CG1 4.36Å; Y288-I295 HydrophobicContact CE2-CD1 3.88Å; Y288-I295 HydrophobicContact CE2-CG1 4.27Å |
| 289 | F | 96.7 | Very high | 90.7 | Very high | 49 Ų | 49 | 30.3 Ų | 30.3 | 22% | 0.215 | 16% | 0.156 | C | C | . | . | G | 310 helix | trans | -56.2 | -43.3 | -174.7 | -60.2 | -38.6 | 0 | 0 | 0 | 112.9 | H256 K257 N287 L291 G292 I321 Y322 H323 | H256-F289 HydrophobicContact CB-CB 4.45Å; H256-F289 HydrophobicContact CB-CD2 3.29Å; H256-F289 HydrophobicContact CB-CE2 3.65Å; H256-F289 HydrophobicContact CB-CG 4.01Å; H256-F289 AromaticContact CG-CD2 3.81Å; K257-F289 HydrophobicContact CB-CE2 3.99Å; K257-F289 HydrophobicContact CB-CZ 3.78Å; K257-F289 HydrophobicContact CD-CZ 4.21Å; N287-F289 HydrophobicContact CB-CD1 4.18Å; N287-F289 HydrophobicContact CB-CE1 3.58Å; N287-F289 HydrophobicContact CB-CZ 3.93Å; F289-L291 VanDerWaalsContact C-N 3.28Å; F289-L291 PolarHBondContact O-N 3.47Å; F289-G292 PolarHBondContact O-N 3.48Å; F289-I321 WeakPolarHBondContact CB-O 3.46Å; F289-I321 HydrophobicContact CD1-CG2 3.95Å; F289-I321 HydrophobicContact CE1-CG2 3.79Å; F289-I321 HydrophobicContact CZ-CG2 4.39Å; F289-Y322 AromaticContact CD1-CD1 3.75Å; F289-Y322 HydrophobicContact CD1-CD1 3.75Å; F289-Y322 AromaticContact CD1-CE1 3.45Å; F289-Y322 HydrophobicContact CD1-CE1 3.45Å; F289-Y322 VanDerWaalsContact CD1-CE1 3.45Å; F289-Y322 HydrophobicContact CD1-CG 4.43Å; F289-Y322 AromaticContact CD1-CZ 3.93Å; F289-Y322 AromaticContact CE1-CE1 3.81Å; F289-Y322 HydrophobicContact CE1-CE1 3.81Å; F289-Y322 AromaticContact CE1-CZ 3.87Å; F289-H323 WeakPolarHBondContact O-CB 3.32Å; F289-H323 PolarHBondContact O-N 2.91Å |
| 290 | T | 95.7 | Very high | 92.1 | Very high | 13 Ų | 13 | 33 Ų | 33 | 8% | 0.08 | 17% | 0.166 | C | C | . | . | G | 310 helix | trans | -72.4 | -17.1 | 178.9 | 55.3 | 0 | 0 | 0 | 0 | 114.6 | N195 V196 Y197 H256 Y288 | N195-T290 HydrophobicContact CB-CG2 4.13Å; V196-T290 VanDerWaalsContact O-CB 3.25Å; V196-T290 WeakPolarHBondContact O-CB 3.45Å; V196-T290 PolarHBondContact O-OG1 3.25Å; Y197-T290 HydrophobicContact CD1-CG2 4.19Å; Y197-T290 HydrophobicContact CE1-CG2 3.65Å; Y197-T290 HydrophobicContact CE2-CG2 4.45Å; H256-T290 PolarHBondContact CE1-OG1 2.85Å; H256-T290 WeakPolarHBondContact NE2-CG2 3.44Å; Y288-T290 VanDerWaalsContact C-N 3.32Å; Y288-T290 PolarHBondContact O-N 3.1Å |
| 291 | L | 97.2 | Very high | 93.3 | Very high | 2 Ų | 2 | 26.8 Ų | 26.8 | 1% | 0.01 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | -93.4 | -16.2 | 174.3 | -52.2 | -174.1 | 0 | 0 | 0 | 111.9 | V196 A198 L215 L217 L252 Y288 F289 V293 | V196-L291 HydrophobicContact CG1-CD2 4.38Å; V196-L291 WeakPolarHBondContact O-CD2 3.35Å; A198-L291 HydrophobicContact CB-CB 4.21Å; A198-L291 HydrophobicContact CB-CD2 3.99Å; L215-L291 HydrophobicContact CD2-CD1 4.13Å; L217-L291 HydrophobicContact CD2-CD1 4.34Å; L217-L291 HydrophobicContact CD2-CD2 3.65Å; L252-L291 HydrophobicContact CD1-CD1 4.3Å; Y288-L291 HydrophobicContact CD1-CD1 3.9Å; Y288-L291 HydrophobicContact CG-CD1 3.91Å; Y288-L291 HydrophobicContact CG-CG 4.46Å; Y288-L291 PolarHBondContact O-N 3.08Å; F289-L291 VanDerWaalsContact C-N 3.28Å; F289-L291 PolarHBondContact O-N 3.47Å; L291-V293 VanDerWaalsContact C-N 3.27Å; L291-V293 HydrophobicContact CB-CB 4.38Å; L291-V293 HydrophobicContact CB-CG2 4.27Å |
| 292 | G | 97.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.3 | 26.3 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y288 F289 H310 H323 C325 | Y288-G292 PolarHBondContact O-N 3.34Å; F289-G292 PolarHBondContact O-N 3.48Å; G292-H310 PolarHBondContact O-N 3.38Å; G292-H323 WeakPolarHBondContact CA-O 3.15Å; G292-C325 WeakPolarHBondContact O-CB 3.26Å |
| 293 | V | 97.9 | Very high | 94.8 | Very high | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.006 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 134.5 | -173.4 | -178.3 | 0 | 0 | 0 | 0 | 111.6 | L213 Y288 L291 I295 V308 L309 | L213-V293 HydrophobicContact CD1-CG1 3.94Å; Y288-V293 WeakPolarHBondContact CA-O 3.3Å; Y288-V293 WeakPolarHBondContact CB-O 3.43Å; Y288-V293 PolarHBondContact N-O 2.78Å; Y288-V293 PolarHBondContact O-N 3.27Å; L291-V293 VanDerWaalsContact C-N 3.27Å; L291-V293 HydrophobicContact CB-CB 4.38Å; L291-V293 HydrophobicContact CB-CG2 4.27Å; V293-I295 HydrophobicContact CG1-CG1 4.04Å; V293-V308 CarbonylContact C-O 3.56Å; V293-V308 VanDerWaalsContact CA-O 3.31Å; V293-V308 WeakPolarHBondContact CA-O 3.05Å; V293-L309 HydrophobicContact CG1-CD2 4.21Å; V293-L309 HydrophobicContact CG2-CD2 3.78Å |
| 294 | D | 97.9 | Very high | 95 | Very high | 11 Ų | 11 | 27.5 Ų | 27.5 | 6% | 0.059 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 140.8 | 162.9 | -58.4 | -37.9 | 0 | 0 | 0 | 111.2 | F285 F286 N287 F307 V308 H310 Y322 | F285-D294 HydrophobicContact CD1-CB 4.01Å; F286-D294 WeakPolarHBondContact O-CA 3.5Å; N287-D294 WeakPolarHBondContact CA-OD1 3.44Å; N287-D294 WeakPolarHBondContact CB-OD1 3.25Å; N287-D294 PolarHBondContact ND2-OD1 3.43Å; D294-F307 CarbonylContact O-C 3.58Å; D294-F307 WeakPolarHBondContact O-CA 3.23Å; D294-V308 HydrophobicContact CB-CB 4.05Å; D294-V308 HydrophobicContact CB-CG2 4.35Å; D294-V308 PolarHBondContact N-O 3.49Å; D294-V308 PolarHBondContact O-N 3.02Å; D294-H310 IonicContact OD2-CD2 2.75Å; D294-H310 IonicContact OD2-CE1 3.59Å; D294-H310 IonicContact OD2-NE2 2.83Å; D294-H310 PolarHBondContact OD2-NE2 3.29Å; D294-Y322 VanDerWaalsContact OD1-CE1 3.22Å; D294-Y322 WeakPolarHBondContact OD1-CE1 3.49Å; D294-Y322 PolarHBondContact OD1-OH 3.41Å; D294-Y322 PolarHBondContact OD2-OH 2.75Å |
| 295 | I | 97.6 | Very high | 95 | Very high | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 116.3 | 178.3 | -50.2 | -174.6 | 0 | 0 | 0 | 108.4 | V239 V248 L252 F285 F286 Y288 V293 F297 V304 F307 | V239-I295 HydrophobicContact CG1-CD1 4.42Å; V248-I295 HydrophobicContact CG1-CD1 3.71Å; L252-I295 HydrophobicContact CD1-CD1 3.78Å; F285-I295 CarbonylContact C-O 3.59Å; F285-I295 VanDerWaalsContact CA-O 3.31Å; F285-I295 WeakPolarHBondContact CA-O 3.24Å; F286-I295 PolarHBondContact N-O 3.42Å; F286-I295 PolarHBondContact O-N 3.06Å; Y288-I295 HydrophobicContact CD2-CD1 4.27Å; Y288-I295 HydrophobicContact CD2-CG1 4.36Å; Y288-I295 HydrophobicContact CE2-CD1 3.88Å; Y288-I295 HydrophobicContact CE2-CG1 4.27Å; V293-I295 HydrophobicContact CG1-CG1 4.04Å; I295-F297 HydrophobicContact CB-CE2 4.07Å; I295-F297 HydrophobicContact CB-CZ 4.42Å; I295-F297 HydrophobicContact CG2-CD2 4.49Å; I295-F297 HydrophobicContact CG2-CE1 4.46Å; I295-F297 HydrophobicContact CG2-CE2 3.76Å; I295-F297 HydrophobicContact CG2-CZ 3.76Å; I295-V304 HydrophobicContact CG2-CB 4.29Å; I295-V304 HydrophobicContact CG2-CG1 3.74Å; I295-V304 HydrophobicContact CG2-CG2 3.64Å; I295-F307 HydrophobicContact CD1-CD1 4.42Å; I295-F307 HydrophobicContact CD1-CE1 4.17Å; I295-F307 HydrophobicContact CG1-CD1 3.98Å; I295-F307 HydrophobicContact CG1-CE1 4.17Å; I295-F307 HydrophobicContact CG2-CD1 4.23Å; I295-F307 HydrophobicContact CG2-CE1 4.03Å |
| 296 | L | 96 | Very high | 94.9 | Very high | 6 Ų | 6 | 32.2 Ų | 32.2 | 3% | 0.031 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 129.8 | 176.4 | -176.7 | 59.7 | 0 | 0 | 0 | 110.3 | D283 Y284 F285 K305 K306 | D283-L296 HydrophobicContact CB-CD1 3.76Å; D283-L296 HydrophobicContact CB-CG 4.4Å; Y284-L296 WeakPolarHBondContact O-CD1 3.48Å; F285-L296 HydrophobicContact CD1-CB 3.9Å; F285-L296 HydrophobicContact CD1-CD1 4.01Å; F285-L296 HydrophobicContact CD2-CD1 3.68Å; F285-L296 HydrophobicContact CE1-CB 3.64Å; F285-L296 HydrophobicContact CE1-CD1 3.84Å; F285-L296 HydrophobicContact CE1-CD2 4.37Å; F285-L296 HydrophobicContact CE1-CG 4.15Å; F285-L296 HydrophobicContact CE2-CD1 3.5Å; F285-L296 VanDerWaalsContact CE2-CD1 3.5Å; F285-L296 HydrophobicContact CG-CD1 3.95Å; F285-L296 HydrophobicContact CZ-CB 4.14Å; F285-L296 HydrophobicContact CZ-CD1 3.6Å; F285-L296 HydrophobicContact CZ-CD2 4.07Å; F285-L296 HydrophobicContact CZ-CG 4.14Å; L296-K305 PolarHBondContact O-N 2.8Å; L296-K306 HydrophobicContact CB-CB 3.87Å; L296-K306 HydrophobicContact CD2-CB 4.04Å; L296-K306 HydrophobicContact CD2-CD 4.12Å; L296-K306 PolarHBondContact N-O 2.98Å; L296-K306 PolarHBondContact O-N 3.27Å |
| 297 | F | 94.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 139.4 | 172.8 | -62.6 | -91.7 | 0 | 0 | 0 | 110.7 | C245 V248 D283 Y284 F286 I295 K303 V304 | C245-F297 HydrophobicContact CB-CD1 4.11Å; C245-F297 HydrophobicContact CB-CE1 3.88Å; C245-F297 HydrophobicContact CB-CZ 4.32Å; V248-F297 HydrophobicContact CB-CE1 4.42Å; V248-F297 HydrophobicContact CB-CZ 3.96Å; V248-F297 HydrophobicContact CG1-CZ 4.11Å; V248-F297 HydrophobicContact CG2-CE1 3.93Å; V248-F297 HydrophobicContact CG2-CZ 3.78Å; D283-F297 WeakPolarHBondContact CA-O 3.3Å; D283-F297 WeakPolarHBondContact CB-O 3.39Å; Y284-F297 HydrophobicContact CD1-CB 4.21Å; Y284-F297 HydrophobicContact CD2-CB 4.15Å; Y284-F297 HydrophobicContact CD2-CD2 4.05Å; Y284-F297 HydrophobicContact CD2-CG 4.42Å; Y284-F297 HydrophobicContact CE1-CB 3.71Å; Y284-F297 HydrophobicContact CE2-CB 3.65Å; Y284-F297 AromaticContact CE2-CD2 3.6Å; Y284-F297 HydrophobicContact CE2-CD2 3.6Å; Y284-F297 HydrophobicContact CE2-CE2 4.47Å; Y284-F297 AromaticContact CE2-CG 3.72Å; Y284-F297 HydrophobicContact CE2-CG 3.72Å; Y284-F297 HydrophobicContact CG-CB 4.41Å; Y284-F297 AromaticContact CZ-CG 3.82Å; Y284-F297 PolarHBondContact N-O 3.24Å; Y284-F297 PolarHBondContact O-N 2.96Å; F286-F297 HydrophobicContact CB-CE2 3.88Å; F286-F297 HydrophobicContact CD1-CD2 4.37Å; F286-F297 HydrophobicContact CD1-CE2 4.06Å; F286-F297 HydrophobicContact CD2-CD2 4.38Å; F286-F297 AromaticContact CD2-CE2 3.38Å; F286-F297 HydrophobicContact CD2-CE2 3.38Å; F286-F297 AromaticContact CD2-CZ 3.71Å; F286-F297 HydrophobicContact CD2-CZ 3.71Å; F286-F297 HydrophobicContact CE1-CE2 4.49Å; F286-F297 AromaticContact CE2-CE2 3.86Å; F286-F297 HydrophobicContact CE2-CE2 3.86Å; F286-F297 AromaticContact CE2-CZ 3.96Å; F286-F297 HydrophobicContact CE2-CZ 3.96Å; F286-F297 HydrophobicContact CG-CD2 4.23Å; F286-F297 AromaticContact CG-CE2 3.49Å; F286-F297 HydrophobicContact CG-CE2 3.49Å; F286-F297 VanDerWaalsContact CG-CE2 3.49Å; F286-F297 HydrophobicContact CG-CZ 4.29Å; F286-F297 HydrophobicContact CZ-CE2 4.4Å; I295-F297 HydrophobicContact CB-CE2 4.07Å; I295-F297 HydrophobicContact CB-CZ 4.42Å; I295-F297 HydrophobicContact CG2-CD2 4.49Å; I295-F297 HydrophobicContact CG2-CE1 4.46Å; I295-F297 HydrophobicContact CG2-CE2 3.76Å; I295-F297 HydrophobicContact CG2-CZ 3.76Å; F297-K303 WeakPolarHBondContact CA-O 3.28Å; F297-V304 HydrophobicContact CD1-CG2 4.1Å; F297-V304 HydrophobicContact CE1-CG2 3.5Å; F297-V304 HydrophobicContact CZ-CG2 3.99Å |
| 298 | D | 91.1 | Very high | 94.9 | Very high | 31 Ų | 31 | 31.5 Ų | 31.5 | 17% | 0.166 | 16% | 0.156 | C | C | . | . | trans | -68.4 | 131.5 | 169.2 | -179 | -97.8 | 0 | 0 | 0 | 110.5 | D283 N300 T301 H302 K303 K305 | D283-D298 WeakPolarHBondContact OD1-CA 3.44Å; D298-N300 PolarHBondContact O-N 3.37Å; D298-N300 WeakPolarHBondContact OD1-CB 3.2Å; D298-N300 PolarHBondContact OD1-N 2.97Å; D298-N300 VanDerWaalsContact OD1-N 3.1Å; D298-T301 WeakPolarHBondContact CB-OG1 3.24Å; D298-T301 PolarHBondContact OD1-N 3.02Å; D298-T301 PolarHBondContact OD1-OG1 3.43Å; D298-H302 WeakPolarHBondContact O-CA 3.33Å; D298-H302 PolarHBondContact O-N 2.72Å; D298-K303 PolarHBondContact N-O 3.39Å; D298-K305 HydrophobicContact CB-CD 4.22Å; D298-K305 IonicContact OD2-NZ 2.98Å | ||
| 299 | A | 88.1 | Confident | 94.9 | Very high | 5 Ų | 5 | 31.3 Ų | 31.3 | 4% | 0.041 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -25.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | C281 N282 D283 | C281-A299 VanDerWaalsContact C-CB 3.48Å; C281-A299 HydrophobicContact CB-CB 3.67Å; C281-A299 WeakPolarHBondContact O-CB 3.09Å; N282-A299 VanDerWaalsContact O-CB 3.3Å; N282-A299 WeakPolarHBondContact O-CB 3.41Å; D283-A299 PolarHBondContact OD1-N 2.94Å |
| 300 | N | 87.5 | Confident | 95 | Very high | 105 Ų | 105 | 29.3 Ų | 29.3 | 56% | 0.561 | 15% | 0.147 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92 | -40.5 | -174.6 | -62.8 | -30.8 | 0 | 0 | 0 | 110.9 | S279 D298 | S279-N300 PolarHBondContact OG-ND2 3.32Å; D298-N300 PolarHBondContact O-N 3.37Å; D298-N300 WeakPolarHBondContact OD1-CB 3.2Å; D298-N300 PolarHBondContact OD1-N 2.97Å; D298-N300 VanDerWaalsContact OD1-N 3.1Å |
| 301 | T | 90.6 | Very high | 95 | Very high | 82 Ų | 82 | 28.7 Ų | 28.7 | 50% | 0.503 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99 | -13.7 | -175.8 | 59.2 | 0 | 0 | 0 | 0 | 113.6 | D298 K303 | D298-T301 WeakPolarHBondContact CB-OG1 3.24Å; D298-T301 PolarHBondContact OD1-N 3.02Å; D298-T301 PolarHBondContact OD1-OG1 3.43Å; T301-K303 PolarHBondContact O-N 3.23Å |
| 302 | H | 92.5 | Very high | 94.9 | Very high | 91 Ų | 91 | 29.1 Ų | 29.1 | 42% | 0.421 | 15% | 0.145 | S | C | . | . | trans | 54.3 | 30.3 | -173.3 | -64.6 | -79.6 | 0 | 0 | 0 | 113.5 | C245 Y284 D298 | C245-H302 PolarHBondContact N-O 3.13Å; Y284-H302 AromaticContact CE1-CE1 3.96Å; Y284-H302 AromaticContact CE1-ND1 3.42Å; Y284-H302 WeakPolarHBondContact CE1-ND1 3.14Å; Y284-H302 AromaticContact CZ-ND1 3.6Å; Y284-H302 PolarHBondContact OH-ND1 2.86Å; D298-H302 WeakPolarHBondContact O-CA 3.33Å; D298-H302 PolarHBondContact O-N 2.72Å | ||
| 303 | K | 94.9 | Very high | 94.8 | Very high | 90 Ų | 90 | 29.1 Ų | 29.1 | 39% | 0.391 | 15% | 0.145 | S | C | . | . | B | Isolated β-bridge | trans | -110.1 | 149.2 | -178.1 | -73.4 | -179.3 | 174.7 | -168.5 | 0 | 112.2 | G242 D243 F297 D298 T301 K305 | G242-K303 VanDerWaalsContact O-CD 3.25Å; G242-K303 WeakPolarHBondContact O-CD 3.43Å; G242-K303 VanDerWaalsContact O-CG 3.28Å; G242-K303 WeakPolarHBondContact O-CG 3.29Å; D243-K303 CarbonylContact O-C 3.54Å; D243-K303 VanDerWaalsContact O-CA 3.26Å; D243-K303 WeakPolarHBondContact O-CA 3.42Å; F297-K303 WeakPolarHBondContact CA-O 3.28Å; D298-K303 PolarHBondContact N-O 3.39Å; T301-K303 PolarHBondContact O-N 3.23Å; K303-K305 PolarHBondContact O-N 3.01Å |
| 304 | V | 96.1 | Very high | 94.6 | Very high | 5 Ų | 5 | 29.5 Ų | 29.5 | 3% | 0.03 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.6 | 125.7 | 178.2 | 178 | 0 | 0 | 0 | 0 | 110.8 | V239 F241 G242 D243 V248 I295 F297 F307 | V239-V304 HydrophobicContact CG1-CG2 4.43Å; F241-V304 HydrophobicContact CD1-CG1 4.29Å; G242-V304 PolarHBondContact N-O 3.18Å; D243-V304 HydrophobicContact CB-CG2 4.23Å; D243-V304 WeakPolarHBondContact O-CG2 3.49Å; D243-V304 PolarHBondContact O-N 2.76Å; V248-V304 HydrophobicContact CG2-CG2 3.64Å; I295-V304 HydrophobicContact CG2-CB 4.29Å; I295-V304 HydrophobicContact CG2-CG1 3.74Å; I295-V304 HydrophobicContact CG2-CG2 3.64Å; F297-V304 HydrophobicContact CD1-CG2 4.1Å; F297-V304 HydrophobicContact CE1-CG2 3.5Å; F297-V304 HydrophobicContact CZ-CG2 3.99Å; V304-F307 HydrophobicContact CG1-CD1 4.43Å; V304-F307 HydrophobicContact CG1-CE1 3.73Å; V304-F307 HydrophobicContact CG1-CE2 3.96Å; V304-F307 HydrophobicContact CG1-CZ 3.47Å; V304-F307 VanDerWaalsContact CG1-CZ 3.47Å |
| 305 | K | 92.9 | Very high | 94.3 | Very high | 86 Ų | 86 | 29.5 Ų | 29.5 | 37% | 0.374 | 15% | 0.15 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | -30.5 | -176.6 | -176.8 | 177.3 | -177.7 | 174.1 | 0 | 113.1 | F241 D283 L296 D298 K303 | F241-K305 WeakPolarHBondContact CE1-O 3.4Å; D283-K305 IonicContact OD2-NZ 2.93Å; D283-K305 PolarHBondContact OD2-NZ 3.17Å; L296-K305 PolarHBondContact O-N 2.8Å; D298-K305 HydrophobicContact CB-CD 4.22Å; D298-K305 IonicContact OD2-NZ 2.98Å; K303-K305 PolarHBondContact O-N 3.01Å |
| 306 | K | 94.9 | Very high | 94 | Very high | 64 Ų | 64 | 29.8 Ų | 29.8 | 28% | 0.278 | 15% | 0.152 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 144.2 | -174.4 | 170.9 | -175.1 | -70.6 | -168.2 | 0 | 110.8 | L296 V308 T405 L406 | L296-K306 HydrophobicContact CB-CB 3.87Å; L296-K306 HydrophobicContact CD2-CB 4.04Å; L296-K306 HydrophobicContact CD2-CD 4.12Å; L296-K306 PolarHBondContact N-O 2.98Å; L296-K306 PolarHBondContact O-N 3.27Å; K306-V308 HydrophobicContact CD-CG2 4.48Å; K306-V308 HydrophobicContact CG-CG2 4.45Å; K306-T405 HydrophobicContact CD-CG2 3.39Å; K306-T405 HydrophobicContact CG-CG2 3.57Å; K306-L406 WeakPolarHBondContact CA-O 3.03Å; K306-L406 WeakPolarHBondContact CG-O 3.42Å |
| 307 | F | 97.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 146.8 | 167.5 | -58.4 | -77.7 | 0 | 0 | 0 | 109.8 | L213 V239 F241 D294 I295 V304 T405 L406 | L213-F307 HydrophobicContact CD1-CB 4.06Å; L213-F307 HydrophobicContact CD1-CD1 3.43Å; L213-F307 VanDerWaalsContact CD1-CD1 3.43Å; L213-F307 HydrophobicContact CD1-CD2 4.41Å; L213-F307 HydrophobicContact CD1-CE1 3.89Å; L213-F307 HydrophobicContact CD1-CG 3.72Å; L213-F307 HydrophobicContact CG-CD1 3.99Å; L213-F307 HydrophobicContact CG-CD2 4.17Å; L213-F307 HydrophobicContact CG-CE1 4.17Å; L213-F307 HydrophobicContact CG-CE2 4.36Å; L213-F307 HydrophobicContact CG-CG 3.99Å; L213-F307 HydrophobicContact CG-CZ 4.34Å; V239-F307 HydrophobicContact CB-CE1 4.39Å; V239-F307 HydrophobicContact CB-CZ 4.49Å; V239-F307 HydrophobicContact CG1-CE1 3.82Å; V239-F307 HydrophobicContact CG1-CZ 3.93Å; F241-F307 HydrophobicContact CD1-CD2 4.3Å; F241-F307 AromaticContact CD1-CE2 3.9Å; F241-F307 HydrophobicContact CD1-CE2 3.9Å; F241-F307 HydrophobicContact CD2-CE2 4.12Å; F241-F307 AromaticContact CE1-CD2 3.6Å; F241-F307 HydrophobicContact CE1-CD2 3.6Å; F241-F307 AromaticContact CE1-CE2 3.67Å; F241-F307 HydrophobicContact CE1-CE2 3.67Å; F241-F307 AromaticContact CE2-CD2 4Å; F241-F307 HydrophobicContact CE2-CD2 4Å; F241-F307 AromaticContact CE2-CE2 3.88Å; F241-F307 HydrophobicContact CE2-CE2 3.88Å; F241-F307 HydrophobicContact CG-CE2 4.12Å; F241-F307 AromaticContact CZ-CD2 3.42Å; F241-F307 HydrophobicContact CZ-CD2 3.42Å; F241-F307 VanDerWaalsContact CZ-CD2 3.42Å; F241-F307 AromaticContact CZ-CE2 3.66Å; F241-F307 HydrophobicContact CZ-CE2 3.66Å; D294-F307 CarbonylContact O-C 3.58Å; D294-F307 WeakPolarHBondContact O-CA 3.23Å; I295-F307 HydrophobicContact CD1-CD1 4.42Å; I295-F307 HydrophobicContact CD1-CE1 4.17Å; I295-F307 HydrophobicContact CG1-CD1 3.98Å; I295-F307 HydrophobicContact CG1-CE1 4.17Å; I295-F307 HydrophobicContact CG2-CD1 4.23Å; I295-F307 HydrophobicContact CG2-CE1 4.03Å; V304-F307 HydrophobicContact CG1-CD1 4.43Å; V304-F307 HydrophobicContact CG1-CE1 3.73Å; V304-F307 HydrophobicContact CG1-CE2 3.96Å; V304-F307 HydrophobicContact CG1-CZ 3.47Å; V304-F307 VanDerWaalsContact CG1-CZ 3.47Å; F307-T405 CarbonylContact O-C 3.49Å; F307-T405 WeakPolarHBondContact O-CA 3.21Å; F307-L406 HydrophobicContact CB-CB 4.24Å; F307-L406 HydrophobicContact CB-CD1 4.22Å; F307-L406 HydrophobicContact CB-CG 4.4Å; F307-L406 HydrophobicContact CD2-CB 4.48Å; F307-L406 HydrophobicContact CD2-CD1 4.45Å; F307-L406 PolarHBondContact N-O 3.3Å; F307-L406 VanDerWaalsContact N-O 3.1Å; F307-L406 PolarHBondContact O-N 3.35Å |
| 308 | V | 97.8 | Very high | 93.6 | Very high | 15 Ų | 15 | 33.9 Ų | 33.9 | 9% | 0.091 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 124.6 | 169.4 | -169.9 | 0 | 0 | 0 | 0 | 108.3 | F285 V293 D294 K306 V404 T405 | F285-V308 HydrophobicContact CE1-CG2 4.5Å; V293-V308 CarbonylContact C-O 3.56Å; V293-V308 VanDerWaalsContact CA-O 3.31Å; V293-V308 WeakPolarHBondContact CA-O 3.05Å; D294-V308 HydrophobicContact CB-CB 4.05Å; D294-V308 HydrophobicContact CB-CG2 4.35Å; D294-V308 PolarHBondContact N-O 3.49Å; D294-V308 PolarHBondContact O-N 3.02Å; K306-V308 HydrophobicContact CD-CG2 4.48Å; K306-V308 HydrophobicContact CG-CG2 4.45Å; V308-V404 WeakPolarHBondContact CA-O 3.39Å; V308-T405 HydrophobicContact CG2-CG2 4.4Å |
| 309 | L | 98.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 123.7 | 179.2 | -50 | 179.6 | 0 | 0 | 0 | 108.5 | V201 V203 L213 V293 F327 S403 V404 L406 | V201-L309 HydrophobicContact CG1-CD2 4.31Å; V203-L309 HydrophobicContact CG2-CD1 3.69Å; L213-L309 HydrophobicContact CD1-CD2 3.96Å; L213-L309 HydrophobicContact CD2-CD1 4.47Å; L213-L309 HydrophobicContact CD2-CD2 4.17Å; V293-L309 HydrophobicContact CG1-CD2 4.21Å; V293-L309 HydrophobicContact CG2-CD2 3.78Å; L309-F327 HydrophobicContact CB-CD1 3.92Å; L309-F327 HydrophobicContact CB-CE1 4.44Å; L309-F327 HydrophobicContact CD1-CB 3.78Å; L309-F327 HydrophobicContact CD1-CD1 4.15Å; L309-F327 HydrophobicContact CD1-CG 4.01Å; L309-S403 CarbonylContact O-C 3.56Å; L309-S403 WeakPolarHBondContact O-CA 3.46Å; L309-S403 WeakPolarHBondContact O-CB 3.42Å; L309-V404 PolarHBondContact N-O 2.83Å; L309-V404 PolarHBondContact O-N 2.61Å; L309-L406 HydrophobicContact CD1-CD1 4.33Å |
| 310 | H | 97.8 | Very high | 94 | Very high | 8 Ų | 8 | 35.9 Ų | 35.9 | 4% | 0.037 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 132 | -175.7 | -62.3 | -82.4 | 0 | 0 | 0 | 111.5 | G292 D294 Y322 C325 | G292-H310 PolarHBondContact O-N 3.38Å; D294-H310 IonicContact OD2-CD2 2.75Å; D294-H310 IonicContact OD2-CE1 3.59Å; D294-H310 IonicContact OD2-NE2 2.83Å; D294-H310 PolarHBondContact OD2-NE2 3.29Å; H310-Y322 HydrophobicContact CB-CD1 4.45Å; H310-Y322 HydrophobicContact CB-CD2 4.26Å; H310-Y322 HydrophobicContact CB-CG 3.97Å; H310-Y322 AromaticContact CD2-CD1 3.54Å; H310-Y322 AromaticContact CD2-CE1 3.6Å; H310-Y322 AromaticContact CD2-CG 3.78Å; H310-Y322 AromaticContact CD2-CZ 3.87Å; H310-Y322 AromaticContact CE1-CE2 3.93Å; H310-Y322 AromaticContact CG-CD2 3.88Å; H310-Y322 AromaticContact CG-CG 3.84Å; H310-Y322 AromaticContact NE2-CE1 3.69Å; H310-Y322 AromaticContact NE2-CE2 3.86Å; H310-Y322 AromaticContact NE2-CZ 3.57Å; H310-C325 WeakPolarHBondContact O-CB 3.42Å; H310-C325 PolarHBondContact O-N 2.88Å |
| 311 | T | 96.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.17 | C | C | . | . | trans | -92.1 | -13.3 | -178.5 | 62.3 | 0 | 0 | 0 | 0 | 113.7 | Y313 R324 F327 T347 I401 A402 | T311-Y313 HydrophobicContact CG2-CE2 4.46Å; T311-Y313 PolarHBondContact O-N 3.45Å; T311-Y313 WeakPolarHBondContact OG1-CD2 3.49Å; T311-R324 VanDerWaalsContact O-CG 3.31Å; T311-R324 WeakPolarHBondContact O-CG 3.3Å; T311-R324 PolarHBondContact O-NE 2.95Å; T311-R324 PolarHBondContact O-NH2 2.83Å; T311-F327 HydrophobicContact CG2-CE1 3.6Å; T311-F327 HydrophobicContact CG2-CZ 4.23Å; T311-T347 HydrophobicContact CG2-CG2 3.81Å; T311-I401 WeakPolarHBondContact CB-O 3.17Å; T311-I401 WeakPolarHBondContact CG2-O 3.46Å; T311-I401 PolarHBondContact OG1-O 3.39Å; T311-A402 PolarHBondContact N-O 2.9Å; T311-A402 WeakPolarHBondContact OG1-CA 3.35Å; T311-A402 PolarHBondContact OG1-O 2.78Å | ||
| 312 | N | 95.6 | Very high | 94.6 | Very high | 10 Ų | 10 | 31.7 Ų | 31.7 | 5% | 0.053 | 15% | 0.15 | C | C | . | . | trans | 55 | 40.7 | 177.6 | -163.2 | 45.2 | 0 | 0 | 0 | 114.7 | Q74 F319 N320 Y322 R324 | Q74-N312 PolarHBondContact NE2-O 2.83Å; Q74-N312 PolarHBondContact OE1-ND2 2.94Å; N312-F319 WeakPolarHBondContact O-CD2 3.5Å; N312-F319 WeakPolarHBondContact OD1-CA 3.4Å; N312-F319 WeakPolarHBondContact OD1-CD2 3.49Å; N312-N320 PolarHBondContact OD1-N 2.86Å; N312-Y322 PolarHBondContact ND2-O 2.86Å; N312-Y322 VanDerWaalsContact ND2-O 3.08Å; N312-Y322 PolarHBondContact OD1-O 3.34Å; N312-R324 HydrophobicContact CB-CB 4.23Å | ||
| 313 | Y | 95.2 | Very high | 94.7 | Very high | 1 Ų | 1 | 29.3 Ų | 29.3 | 0% | 0.004 | 14% | 0.138 | C | C | . | . | trans | -70.1 | 141.7 | 169.7 | -76.2 | -72.6 | 0 | 0 | 0 | 111.8 | P51 L52 T311 H316 F319 R324 T347 H400 I401 | P51-Y313 HydrophobicContact CB-CD1 3.99Å; P51-Y313 HydrophobicContact CB-CE1 4.5Å; P51-Y313 HydrophobicContact CG-CD1 3.66Å; P51-Y313 HydrophobicContact CG-CE1 3.98Å; L52-Y313 HydrophobicContact CD1-CE1 4.32Å; L52-Y313 HydrophobicContact CD2-CE1 3.79Å; L52-Y313 HydrophobicContact CG-CE1 3.92Å; T311-Y313 HydrophobicContact CG2-CE2 4.46Å; T311-Y313 PolarHBondContact O-N 3.45Å; T311-Y313 WeakPolarHBondContact OG1-CD2 3.49Å; Y313-H316 PolarHBondContact O-N 2.84Å; Y313-F319 VanDerWaalsContact C-CD2 3.48Å; Y313-F319 WeakPolarHBondContact O-CD2 3.37Å; Y313-R324 PolarHBondContact OH-NH1 3.43Å; Y313-T347 PolarHBondContact OH-O 3.12Å; Y313-H400 HydrophobicContact CD2-CB 3.98Å; Y313-H400 AromaticContact CE1-ND1 3.76Å; Y313-H400 HydrophobicContact CE2-CB 4.03Å; Y313-H400 AromaticContact CE2-ND1 3.92Å; Y313-H400 HydrophobicContact CG-CB 4.37Å; Y313-H400 AromaticContact CZ-ND1 3.48Å; Y313-I401 WeakPolarHBondContact CD2-O 3.48Å | ||
| 314 | P | 93.5 | Very high | 94.7 | Very high | 9 Ų | 9 | 25.8 Ų | 25.8 | 6% | 0.058 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | 149.5 | 168.3 | 31.2 | -35.8 | 0 | 0 | 0 | 109.8 | Y46 P51 H316 F319 M396 | Y46-P314 HydrophobicContact CD1-CB 4.05Å; Y46-P314 HydrophobicContact CD2-CB 3.54Å; Y46-P314 HydrophobicContact CD2-CG 3.57Å; Y46-P314 HydrophobicContact CE1-CB 4.31Å; Y46-P314 HydrophobicContact CE2-CB 3.81Å; Y46-P314 HydrophobicContact CE2-CG 4.2Å; Y46-P314 HydrophobicContact CG-CB 3.67Å; Y46-P314 HydrophobicContact CG-CG 3.88Å; P51-P314 HydrophobicContact CB-CG 4.05Å; P314-H316 VanDerWaalsContact C-N 3.31Å; P314-F319 HydrophobicContact CB-CD1 4.44Å; P314-F319 HydrophobicContact CB-CD2 4.22Å; P314-F319 HydrophobicContact CB-CE1 4.15Å; P314-F319 HydrophobicContact CB-CE2 3.92Å; P314-F319 HydrophobicContact CB-CG 4.46Å; P314-F319 HydrophobicContact CB-CZ 3.87Å; P314-M396 WeakPolarHBondContact O-CE 3.44Å |
| 315 | G | 90.2 | Very high | 94.8 | Very high | 11 Ų | 11 | 25.6 Ų | 25.6 | 11% | 0.113 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.5 | 2.9 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114 | F380 M396 | G315-F380 WeakPolarHBondContact O-CB 3.08Å; G315-F380 VanDerWaalsContact O-CG 3.26Å; G315-F380 WeakPolarHBondContact O-CG 3.45Å; G315-M396 VanDerWaalsContact O-CE 3.32Å; G315-M396 WeakPolarHBondContact O-CE 3.29Å |
| 316 | H | 92.9 | Very high | 94.9 | Very high | 7 Ų | 7 | 23.6 Ų | 23.6 | 3% | 0.032 | 11% | 0.114 | C | C | . | . | S | Bend | trans | -100.4 | 148.6 | 167.8 | -172.5 | -107.6 | 0 | 0 | 0 | 111.1 | Y313 P314 N318 F319 R370 F380 E394 M396 A402 | Y313-H316 PolarHBondContact O-N 2.84Å; P314-H316 VanDerWaalsContact C-N 3.31Å; H316-N318 VanDerWaalsContact C-N 3.26Å; H316-N318 PolarHBondContact ND1-N 2.93Å; H316-N318 VanDerWaalsContact ND1-N 3.11Å; H316-N318 PolarHBondContact O-N 2.88Å; H316-F319 WeakPolarHBondContact O-CB 3.34Å; H316-F319 PolarHBondContact O-N 3.27Å; H316-R370 VanDerWaalsContact CE1-CZ 3.47Å; H316-R370 PolarHBondContact CE1-NH1 2.86Å; H316-R370 VanDerWaalsContact CE1-NH1 3.3Å; H316-R370 PolarHBondContact CE1-NH2 3.12Å; H316-R370 PolarHBondContact NE2-NH2 3.19Å; H316-F380 WeakPolarHBondContact O-CE2 3.26Å; H316-E394 IonicContact CD2-OE1 3.55Å; H316-E394 IonicContact CE1-OE1 3.81Å; H316-E394 IonicContact CE1-OE2 3.57Å; H316-E394 IonicContact NE2-OE1 3.76Å; H316-E394 PolarHBondContact NE2-OE1 3.2Å; H316-E394 IonicContact NE2-OE2 2.89Å; H316-M396 HydrophobicContact CB-CE 4.38Å; H316-M396 HydrophobicContact CB-SD 3.96Å; H316-A402 HydrophobicContact CB-CB 4.49Å; H316-A402 WeakPolarHBondContact CD2-CB 3.07Å; H316-A402 WeakPolarHBondContact NE2-CB 3.45Å |
| 317 | Y | 90.5 | Very high | 95 | Very high | 67 Ų | 67 | 20.7 Ų | 20.7 | 26% | 0.263 | 10% | 0.101 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -33.8 | -179.7 | 177.8 | -90.1 | 0 | 0 | 0 | 114 | F319 R370 N376 N378 | Y317-F319 VanDerWaalsContact C-N 3.29Å; Y317-R370 HydrophobicContact CD2-CB 4.31Å; Y317-R370 HydrophobicContact CG-CB 4.36Å; Y317-N376 VanDerWaalsContact CE2-OD1 3.25Å; Y317-N376 WeakPolarHBondContact CE2-OD1 3.46Å; Y317-N376 PolarHBondContact OH-ND2 3.25Å; Y317-N376 PolarHBondContact OH-OD1 3.38Å; Y317-N378 HydrophobicContact CD2-CB 3.67Å; Y317-N378 HydrophobicContact CE2-CB 4.01Å |
| 318 | N | 91.6 | Very high | 95 | Very high | 25 Ų | 25 | 25.5 Ų | 25.5 | 13% | 0.134 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | 8.5 | 178.5 | -70.4 | -19.7 | 0 | 0 | 0 | 113.3 | H316 N320 I321 Y322 R370 | H316-N318 VanDerWaalsContact C-N 3.26Å; H316-N318 PolarHBondContact ND1-N 2.93Å; H316-N318 VanDerWaalsContact ND1-N 3.11Å; H316-N318 PolarHBondContact O-N 2.88Å; N318-N320 PolarHBondContact O-N 2.82Å; N318-I321 HydrophobicContact CB-CD1 4.37Å; N318-I321 WeakPolarHBondContact O-CB 3.4Å; N318-I321 PolarHBondContact O-N 2.94Å; N318-Y322 HydrophobicContact CB-CD2 4.05Å; N318-Y322 HydrophobicContact CB-CE2 4.07Å; N318-R370 PolarHBondContact ND2-NH1 2.87Å; N318-R370 PolarHBondContact OD1-NH1 2.93Å |
| 319 | F | 93.4 | Very high | 94.9 | Very high | 40 Ų | 40 | 24.8 Ų | 24.8 | 18% | 0.175 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | 136.4 | -178.4 | 178.2 | -115.9 | 0 | 0 | 0 | 111.2 | L25 L56 N312 Y313 P314 H316 Y317 I321 | L25-F319 HydrophobicContact CD2-CE1 4.26Å; L25-F319 HydrophobicContact CD2-CE2 4.1Å; L25-F319 HydrophobicContact CD2-CZ 3.53Å; L56-F319 HydrophobicContact CD1-CZ 4.45Å; L56-F319 HydrophobicContact CD2-CZ 3.79Å; N312-F319 WeakPolarHBondContact O-CD2 3.5Å; N312-F319 WeakPolarHBondContact OD1-CA 3.4Å; N312-F319 WeakPolarHBondContact OD1-CD2 3.49Å; Y313-F319 VanDerWaalsContact C-CD2 3.48Å; Y313-F319 WeakPolarHBondContact O-CD2 3.37Å; P314-F319 HydrophobicContact CB-CD1 4.44Å; P314-F319 HydrophobicContact CB-CD2 4.22Å; P314-F319 HydrophobicContact CB-CE1 4.15Å; P314-F319 HydrophobicContact CB-CE2 3.92Å; P314-F319 HydrophobicContact CB-CG 4.46Å; P314-F319 HydrophobicContact CB-CZ 3.87Å; H316-F319 WeakPolarHBondContact O-CB 3.34Å; H316-F319 PolarHBondContact O-N 3.27Å; Y317-F319 VanDerWaalsContact C-N 3.29Å; F319-I321 PolarHBondContact O-N 3.12Å |
| 320 | N | 93.8 | Very high | 94.6 | Very high | 38 Ų | 38 | 26.8 Ų | 26.8 | 20% | 0.203 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.1 | 4.5 | -178 | -163.3 | 67.2 | 0 | 0 | 0 | 115.5 | A26 V29 N312 N318 | A26-N320 VanDerWaalsContact CA-OD1 3.26Å; A26-N320 WeakPolarHBondContact CA-OD1 3.38Å; A26-N320 PolarHBondContact N-OD1 3.19Å; V29-N320 WeakPolarHBondContact CG1-ND2 3.26Å; N312-N320 PolarHBondContact OD1-N 2.86Å; N318-N320 PolarHBondContact O-N 2.82Å |
| 321 | I | 93.8 | Very high | 94.2 | Very high | 80 Ų | 80 | 26.7 Ų | 26.7 | 41% | 0.41 | 13% | 0.13 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -39.3 | 167.3 | -57.9 | -179.3 | 0 | 0 | 0 | 110.2 | F289 N318 F319 | F289-I321 WeakPolarHBondContact CB-O 3.46Å; F289-I321 HydrophobicContact CD1-CG2 3.95Å; F289-I321 HydrophobicContact CE1-CG2 3.79Å; F289-I321 HydrophobicContact CZ-CG2 4.39Å; N318-I321 HydrophobicContact CB-CD1 4.37Å; N318-I321 WeakPolarHBondContact O-CB 3.4Å; N318-I321 PolarHBondContact O-N 2.94Å; F319-I321 PolarHBondContact O-N 3.12Å |
| 322 | Y | 95.8 | Very high | 93.6 | Very high | 19 Ų | 19 | 29.4 Ų | 29.4 | 8% | 0.075 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -111.7 | 150.2 | -176.7 | -62.7 | -89.2 | 0 | 0 | 0 | 110.6 | F289 D294 H310 N312 N318 | F289-Y322 AromaticContact CD1-CD1 3.75Å; F289-Y322 HydrophobicContact CD1-CD1 3.75Å; F289-Y322 AromaticContact CD1-CE1 3.45Å; F289-Y322 HydrophobicContact CD1-CE1 3.45Å; F289-Y322 VanDerWaalsContact CD1-CE1 3.45Å; F289-Y322 HydrophobicContact CD1-CG 4.43Å; F289-Y322 AromaticContact CD1-CZ 3.93Å; F289-Y322 AromaticContact CE1-CE1 3.81Å; F289-Y322 HydrophobicContact CE1-CE1 3.81Å; F289-Y322 AromaticContact CE1-CZ 3.87Å; D294-Y322 VanDerWaalsContact OD1-CE1 3.22Å; D294-Y322 WeakPolarHBondContact OD1-CE1 3.49Å; D294-Y322 PolarHBondContact OD1-OH 3.41Å; D294-Y322 PolarHBondContact OD2-OH 2.75Å; H310-Y322 HydrophobicContact CB-CD1 4.45Å; H310-Y322 HydrophobicContact CB-CD2 4.26Å; H310-Y322 HydrophobicContact CB-CG 3.97Å; H310-Y322 AromaticContact CD2-CD1 3.54Å; H310-Y322 AromaticContact CD2-CE1 3.6Å; H310-Y322 AromaticContact CD2-CG 3.78Å; H310-Y322 AromaticContact CD2-CZ 3.87Å; H310-Y322 AromaticContact CE1-CE2 3.93Å; H310-Y322 AromaticContact CG-CD2 3.88Å; H310-Y322 AromaticContact CG-CG 3.84Å; H310-Y322 AromaticContact NE2-CE1 3.69Å; H310-Y322 AromaticContact NE2-CE2 3.86Å; H310-Y322 AromaticContact NE2-CZ 3.57Å; N312-Y322 PolarHBondContact ND2-O 2.86Å; N312-Y322 VanDerWaalsContact ND2-O 3.08Å; N312-Y322 PolarHBondContact OD1-O 3.34Å; N318-Y322 HydrophobicContact CB-CD2 4.05Å; N318-Y322 HydrophobicContact CB-CE2 4.07Å |
| 323 | H | 95.4 | Very high | 93 | Very high | 40 Ų | 40 | 29.2 Ų | 29.2 | 19% | 0.185 | 15% | 0.145 | C | C | . | . | trans | -68.7 | 149.9 | 155.9 | -91 | -108.2 | 0 | 0 | 0 | 110 | P24 Y197 F289 G292 C325 | P24-H323 WeakPolarHBondContact CB-CE1 3.2Å; Y197-H323 AromaticContact CD1-CE1 3.87Å; Y197-H323 AromaticContact CD1-ND1 3.96Å; Y197-H323 AromaticContact CE1-CE1 3.46Å; Y197-H323 VanDerWaalsContact CE1-CE1 3.46Å; Y197-H323 WeakPolarHBondContact CE1-CE1 3.41Å; Y197-H323 AromaticContact CE1-ND1 3.97Å; Y197-H323 AromaticContact CE1-NE2 3.51Å; F289-H323 WeakPolarHBondContact O-CB 3.32Å; F289-H323 PolarHBondContact O-N 2.91Å; G292-H323 WeakPolarHBondContact CA-O 3.15Å; H323-C325 PolarHBondContact O-N 2.89Å | ||
| 324 | R | 95.9 | Very high | 91.8 | Very high | 17 Ų | 17 | 37.3 Ų | 37.3 | 6% | 0.064 | 18% | 0.181 | C | C | . | . | trans | -60.9 | 122.1 | 171.7 | 177.5 | 174.9 | -64.3 | -103 | -6.8 | 109.6 | F72 T311 N312 Y313 E326 T347 | F72-R324 WeakPolarHBondContact O-CD 3.11Å; F72-R324 PolarHBondContact O-NE 3.02Å; T311-R324 VanDerWaalsContact O-CG 3.31Å; T311-R324 WeakPolarHBondContact O-CG 3.3Å; T311-R324 PolarHBondContact O-NE 2.95Å; T311-R324 PolarHBondContact O-NH2 2.83Å; N312-R324 HydrophobicContact CB-CB 4.23Å; Y313-R324 PolarHBondContact OH-NH1 3.43Å; R324-E326 WeakPolarHBondContact CD-OE1 3.23Å; R324-E326 WeakPolarHBondContact CG-OE1 3.42Å; R324-T347 HydrophobicContact CG-CG2 3.73Å | ||
| 325 | C | 96.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 20% | 0.2 | C | C | . | . | trans | -81.9 | 113.2 | 170.1 | -175.7 | 0 | 0 | 0 | 0 | 108.8 | V201 G292 H310 H323 F327 T347 | V201-C325 VanDerWaalsContact CG2-SG 3.55Å; G292-C325 WeakPolarHBondContact O-CB 3.26Å; H310-C325 WeakPolarHBondContact O-CB 3.42Å; H310-C325 PolarHBondContact O-N 2.88Å; H323-C325 PolarHBondContact O-N 2.89Å; C325-F327 VanDerWaalsContact C-N 3.26Å; C325-F327 PolarHBondContact O-N 3.15Å; C325-T347 VanDerWaalsContact O-CG2 3.3Å; C325-T347 WeakPolarHBondContact O-CG2 3.44Å; C325-T347 PolarHBondContact O-OG1 2.83Å | ||
| 326 | E | 96.3 | Very high | 89.1 | Confident | 45 Ų | 45 | 49.9 Ų | 49.9 | 21% | 0.21 | 24% | 0.236 | C | C | . | . | trans | -79.3 | 71.2 | 174.9 | -66.4 | -58.4 | 142.1 | 0 | 0 | 110.4 | E199 N200 V201 R324 T347 Y348 | E199-E326 VanDerWaalsContact O-CB 3.31Å; E199-E326 WeakPolarHBondContact O-CB 3Å; N200-E326 CarbonylContact C-O 3.45Å; N200-E326 VanDerWaalsContact CA-O 3.31Å; N200-E326 WeakPolarHBondContact CA-O 3.33Å; N200-E326 HydrophobicContact CB-CB 4.38Å; V201-E326 PolarHBondContact N-O 3.18Å; R324-E326 WeakPolarHBondContact CD-OE1 3.23Å; R324-E326 WeakPolarHBondContact CG-OE1 3.42Å; E326-T347 WeakPolarHBondContact CA-OG1 2.97Å; E326-Y348 PolarHBondContact OE1-OH 2.91Å; E326-Y348 WeakPolarHBondContact OE2-CE2 3.39Å; E326-Y348 PolarHBondContact OE2-OH 2.82Å | ||
| 327 | F | 97.2 | Very high | 87.4 | Confident | 2 Ų | 2 | 53.1 Ų | 53.1 | 1% | 0.009 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 153.3 | -175.1 | 69.1 | -109.9 | 0 | 0 | 0 | 113.3 | V201 L309 T311 C325 I329 T346 T347 V404 | V201-F327 HydrophobicContact CB-CB 4.42Å; V201-F327 CarbonylContact O-C 3.53Å; V201-F327 WeakPolarHBondContact O-CA 3.38Å; L309-F327 HydrophobicContact CB-CD1 3.92Å; L309-F327 HydrophobicContact CB-CE1 4.44Å; L309-F327 HydrophobicContact CD1-CB 3.78Å; L309-F327 HydrophobicContact CD1-CD1 4.15Å; L309-F327 HydrophobicContact CD1-CG 4.01Å; T311-F327 HydrophobicContact CG2-CE1 3.6Å; T311-F327 HydrophobicContact CG2-CZ 4.23Å; C325-F327 VanDerWaalsContact C-N 3.26Å; C325-F327 PolarHBondContact O-N 3.15Å; F327-I329 HydrophobicContact CD2-CD1 3.62Å; F327-I329 HydrophobicContact CD2-CG1 3.75Å; F327-I329 HydrophobicContact CE2-CD1 3.59Å; F327-I329 HydrophobicContact CE2-CG1 4.15Å; F327-I329 HydrophobicContact CG-CD1 4.48Å; F327-I329 HydrophobicContact CZ-CD1 4.4Å; F327-T346 VanDerWaalsContact CE2-C 3.44Å; F327-T346 WeakPolarHBondContact O-CA 3.31Å; F327-T347 PolarHBondContact N-OG1 2.78Å; F327-T347 PolarHBondContact O-N 2.96Å; F327-V404 HydrophobicContact CE1-CG2 3.91Å; F327-V404 HydrophobicContact CE2-CG2 4.2Å; F327-V404 HydrophobicContact CZ-CG2 3.55Å |
| 328 | K | 97.3 | Very high | 85.8 | Confident | 102 Ų | 102 | 55 Ų | 55 | 44% | 0.443 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 123.6 | 168.7 | -63.5 | 178.8 | -174.2 | 172.7 | 0 | 109.8 | V201 V203 T344 | V201-K328 PolarHBondContact O-N 3.23Å; V203-K328 PolarHBondContact N-O 3.05Å; K328-T344 HydrophobicContact CB-CG2 4.01Å; K328-T344 HydrophobicContact CG-CG2 4.41Å |
| 329 | I | 95 | Very high | 84.3 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 110.7 | -178.3 | -60.4 | 167.2 | 0 | 0 | 0 | 108.1 | V203 F327 L331 C345 M391 F393 V404 | V203-I329 HydrophobicContact CB-CG1 3.9Å; V203-I329 HydrophobicContact CG2-CD1 4.37Å; V203-I329 HydrophobicContact CG2-CG1 3.55Å; F327-I329 HydrophobicContact CD2-CD1 3.62Å; F327-I329 HydrophobicContact CD2-CG1 3.75Å; F327-I329 HydrophobicContact CE2-CD1 3.59Å; F327-I329 HydrophobicContact CE2-CG1 4.15Å; F327-I329 HydrophobicContact CG-CD1 4.48Å; F327-I329 HydrophobicContact CZ-CD1 4.4Å; I329-L331 HydrophobicContact CG2-CD2 3.75Å; I329-L331 HydrophobicContact CG2-CG 4.4Å; I329-L331 PolarHBondContact O-N 3.12Å; I329-C345 HydrophobicContact CB-CB 4.21Å; I329-C345 PolarHBondContact N-O 2.66Å; I329-C345 PolarHBondContact O-N 3.08Å; I329-M391 HydrophobicContact CD1-SD 4.46Å; I329-M391 HydrophobicContact CG2-CE 3.97Å; I329-M391 HydrophobicContact CG2-SD 3.7Å; I329-F393 HydrophobicContact CD1-CE1 4.45Å; I329-V404 HydrophobicContact CD1-CB 4.26Å; I329-V404 HydrophobicContact CD1-CG1 3.84Å; I329-V404 HydrophobicContact CD1-CG2 4.17Å |
| 330 | P | 92.3 | Very high | 83.1 | Confident | 42 Ų | 42 | 61.8 Ų | 61.8 | 27% | 0.273 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 119.8 | 169.6 | 24.7 | -26.7 | 0 | 0 | 0 | 108.8 | V203 R205 T342 | V203-P330 WeakPolarHBondContact O-CD 3.37Å; R205-P330 WeakPolarHBondContact CD-O 3.48Å; R205-P330 HydrophobicContact CG-CG 4.15Å; R205-P330 PolarHBondContact NH1-O 3.38Å; P330-T342 HydrophobicContact CB-CG2 3.63Å |
| 331 | L | 89.2 | Confident | 82.3 | Confident | 6 Ų | 6 | 64.1 Ų | 64.1 | 3% | 0.031 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 130.5 | 177 | -63.7 | -177.5 | 0 | 0 | 0 | 109.8 | I329 T342 E343 C345 I354 L388 M391 F393 | I329-L331 HydrophobicContact CG2-CD2 3.75Å; I329-L331 HydrophobicContact CG2-CG 4.4Å; I329-L331 PolarHBondContact O-N 3.12Å; L331-T342 CarbonylContact O-C 3.6Å; L331-T342 VanDerWaalsContact O-CA 3.3Å; L331-T342 WeakPolarHBondContact O-CA 3.32Å; L331-E343 WeakPolarHBondContact CB-O 3.4Å; L331-E343 PolarHBondContact N-O 3.42Å; L331-E343 PolarHBondContact O-N 3.36Å; L331-C345 HydrophobicContact CD1-CB 3.59Å; L331-C345 HydrophobicContact CG-CB 3.87Å; L331-I354 HydrophobicContact CD1-CG2 3.91Å; L331-L388 HydrophobicContact CD2-CD2 4.48Å; L331-M391 HydrophobicContact CD2-CE 3.69Å; L331-F393 HydrophobicContact CD2-CZ 4.39Å |
| 332 | V | 85 | Confident | 81.8 | Confident | 57 Ų | 57 | 64.5 Ų | 64.5 | 35% | 0.345 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 117.7 | 177 | -179.1 | 0 | 0 | 0 | 0 | 108.8 | Q389 | V332-Q389 PolarHBondContact O-NE2 2.7Å |
| 333 | I | 81.9 | Confident | 81.4 | Confident | 5 Ų | 5 | 67.4 Ų | 67.4 | 3% | 0.026 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 116.6 | -178.4 | -50.5 | -161.1 | 0 | 0 | 0 | 108.4 | R335 Q341 E343 L357 | I333-R335 HydrophobicContact CG2-CG 4.37Å; I333-Q341 PolarHBondContact N-O 3.46Å; I333-Q341 PolarHBondContact O-N 2.91Å; I333-E343 HydrophobicContact CD1-CB 3.76Å; I333-E343 HydrophobicContact CD1-CG 3.62Å; I333-E343 HydrophobicContact CG1-CB 4.34Å; I333-E343 HydrophobicContact CG1-CG 4.34Å; I333-L357 HydrophobicContact CD1-CB 3.61Å; I333-L357 HydrophobicContact CD1-CD1 4.21Å; I333-L357 HydrophobicContact CD1-CG 4.37Å; I333-L357 WeakPolarHBondContact CG2-O 3.4Å |
| 334 | K | 70.6 | Confident | 81.2 | Confident | 172 Ų | 172 | 69.2 Ų | 69.2 | 75% | 0.748 | 38% | 0.377 | S | S | * | . | trans | -88.9 | 106.8 | 173.3 | -66.2 | -174.1 | 178.5 | -175 | 0 | 107.8 | ||||
| 335 | R | 65.9 | Low | 81.1 | Confident | 119 Ų | 119 | 68.6 Ų | 68.6 | 45% | 0.449 | 38% | 0.375 | S | S | . | . | trans | -90.4 | 159.7 | 165.5 | -68.9 | -176.3 | 177.4 | 164.4 | 3.5 | 108.7 | I333 S337 | I333-R335 HydrophobicContact CG2-CG 4.37Å; R335-S337 PolarHBondContact O-N 3.06Å; R335-S337 VanDerWaalsContact O-N 3.1Å | ||
| 336 | D | 60 | Low | 81.1 | Confident | 164 Ų | 164 | 70.5 Ų | 70.5 | 88% | 0.877 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -62.1 | -15.3 | 179 | -69.8 | -38.5 | 0 | 0 | 0 | 113.5 | ||
| 337 | S | 57.4 | Low | 81 | Confident | 75 Ų | 75 | 68.4 Ų | 68.4 | 52% | 0.524 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -81.3 | 132.5 | 166.6 | 55.5 | 0 | 0 | 0 | 0 | 110.6 | R335 D339 | R335-S337 PolarHBondContact O-N 3.06Å; R335-S337 VanDerWaalsContact O-N 3.1Å; S337-D339 PolarHBondContact O-N 3.04Å |
| 338 | A | 57.3 | Low | 80.9 | Confident | 107 Ų | 107 | 71.2 Ų | 71.2 | 88% | 0.884 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -53.8 | -4.8 | -169.7 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||
| 339 | D | 61.1 | Low | 80.8 | Confident | 131 Ų | 131 | 67.6 Ų | 67.6 | 70% | 0.701 | 38% | 0.376 | S | S | * | . | trans | -94 | 117.6 | 175.6 | -78.4 | -24.1 | 0 | 0 | 0 | 111.9 | S337 Q341 | S337-D339 PolarHBondContact O-N 3.04Å; D339-Q341 PolarHBondContact O-N 3.2Å | ||
| 340 | S | 67.3 | Low | 80.7 | Confident | 77 Ų | 77 | 71.3 Ų | 71.3 | 54% | 0.538 | 39% | 0.392 | S | S | . | . | trans | -73.6 | 115.5 | 171.3 | -61.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 341 | Q | 77.1 | Confident | 80.8 | Confident | 87 Ų | 87 | 69.5 Ų | 69.5 | 41% | 0.407 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 144.1 | 174.6 | -69.4 | -171.9 | -31.4 | 0 | 0 | 110.3 | I333 D339 | I333-Q341 PolarHBondContact N-O 3.46Å; I333-Q341 PolarHBondContact O-N 2.91Å; D339-Q341 PolarHBondContact O-N 3.2Å |
| 342 | T | 82.9 | Confident | 80.9 | Confident | 87 Ų | 87 | 71.8 Ų | 71.8 | 53% | 0.534 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 119.3 | 175.3 | -57.2 | 0 | 0 | 0 | 0 | 109.3 | P330 L331 | P330-T342 HydrophobicContact CB-CG2 3.63Å; L331-T342 CarbonylContact O-C 3.6Å; L331-T342 VanDerWaalsContact O-CA 3.3Å; L331-T342 WeakPolarHBondContact O-CA 3.32Å |
| 343 | E | 87.9 | Confident | 81.2 | Confident | 81 Ų | 81 | 72 Ų | 72 | 38% | 0.379 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 141.7 | 176.8 | -74.9 | -62.4 | 160.8 | 0 | 0 | 110.5 | L331 I333 | L331-E343 WeakPolarHBondContact CB-O 3.4Å; L331-E343 PolarHBondContact N-O 3.42Å; L331-E343 PolarHBondContact O-N 3.36Å; I333-E343 HydrophobicContact CD1-CB 3.76Å; I333-E343 HydrophobicContact CD1-CG 3.62Å; I333-E343 HydrophobicContact CG1-CB 4.34Å; I333-E343 HydrophobicContact CG1-CG 4.34Å |
| 344 | T | 91.9 | Very high | 81.5 | Confident | 78 Ų | 78 | 72.2 Ų | 72.2 | 48% | 0.479 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 110.9 | -178.4 | -58 | 0 | 0 | 0 | 0 | 110.9 | K328 T346 | K328-T344 HydrophobicContact CB-CG2 4.01Å; K328-T344 HydrophobicContact CG-CG2 4.41Å; T344-T346 HydrophobicContact CG2-CG2 4.17Å |
| 345 | C | 93.9 | Very high | 82.3 | Confident | 3 Ų | 3 | 67.4 Ų | 67.4 | 2% | 0.02 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 133.6 | 166.4 | 175.5 | 0 | 0 | 0 | 0 | 109.8 | I329 L331 I354 | I329-C345 HydrophobicContact CB-CB 4.21Å; I329-C345 PolarHBondContact N-O 2.66Å; I329-C345 PolarHBondContact O-N 3.08Å; L331-C345 HydrophobicContact CD1-CB 3.59Å; L331-C345 HydrophobicContact CG-CB 3.87Å; C345-I354 HydrophobicContact CB-CD1 4.35Å; C345-I354 WeakPolarHBondContact SG-CD1 3.3Å |
| 346 | T | 95.9 | Very high | 83.2 | Confident | 41 Ų | 41 | 67.8 Ų | 67.8 | 25% | 0.252 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 171.6 | 179.6 | 68.6 | 0 | 0 | 0 | 0 | 110.7 | F327 T344 Y348 S349 | F327-T346 VanDerWaalsContact CE2-C 3.44Å; F327-T346 WeakPolarHBondContact O-CA 3.31Å; T344-T346 HydrophobicContact CG2-CG2 4.17Å; T346-Y348 PolarHBondContact O-N 3.03Å; T346-Y348 PolarHBondContact OG1-N 2.75Å; T346-S349 PolarHBondContact N-OG 3.37Å; T346-S349 WeakPolarHBondContact O-CB 3.37Å; T346-S349 PolarHBondContact O-N 2.9Å; T346-S349 VanDerWaalsContact O-N 3.07Å; T346-S349 PolarHBondContact O-OG 3.39Å; T346-S349 PolarHBondContact OG1-N 3.47Å; T346-S349 PolarHBondContact OG1-OG 2.8Å |
| 347 | T | 94.1 | Very high | 84.3 | Confident | 1 Ų | 1 | 63.1 Ų | 63.1 | 1% | 0.006 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53 | -23.1 | 170.7 | -52.6 | 0 | 0 | 0 | 0 | 113.9 | T311 Y313 R324 C325 E326 F327 | T311-T347 HydrophobicContact CG2-CG2 3.81Å; Y313-T347 PolarHBondContact OH-O 3.12Å; R324-T347 HydrophobicContact CG-CG2 3.73Å; C325-T347 VanDerWaalsContact O-CG2 3.3Å; C325-T347 WeakPolarHBondContact O-CG2 3.44Å; C325-T347 PolarHBondContact O-OG1 2.83Å; E326-T347 WeakPolarHBondContact CA-OG1 2.97Å; F327-T347 PolarHBondContact N-OG1 2.78Å; F327-T347 PolarHBondContact O-N 2.96Å |
| 348 | Y | 95.6 | Very high | 85.2 | Confident | 60 Ų | 60 | 61 Ų | 61 | 24% | 0.235 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | -6.3 | -177.2 | -52.3 | -67.7 | 0 | 0 | 0 | 113.6 | L52 F72 E326 T346 | L52-Y348 HydrophobicContact CD1-CD1 3.73Å; L52-Y348 HydrophobicContact CD1-CG 4.45Å; L52-Y348 HydrophobicContact CD2-CD1 3.94Å; L52-Y348 HydrophobicContact CD2-CE1 4.05Å; F72-Y348 HydrophobicContact CB-CE1 4.26Å; F72-Y348 AromaticContact CD1-CD1 3.88Å; F72-Y348 HydrophobicContact CD1-CD1 3.88Å; F72-Y348 AromaticContact CD1-CE1 3.48Å; F72-Y348 HydrophobicContact CD1-CE1 3.48Å; F72-Y348 VanDerWaalsContact CD1-CE1 3.48Å; F72-Y348 HydrophobicContact CD1-CE2 4.4Å; F72-Y348 HydrophobicContact CD1-CG 4.46Å; F72-Y348 AromaticContact CD1-CZ 3.77Å; F72-Y348 HydrophobicContact CE1-CD1 4.21Å; F72-Y348 HydrophobicContact CE1-CE1 4.26Å; F72-Y348 HydrophobicContact CG-CE1 4.29Å; E326-Y348 PolarHBondContact OE1-OH 2.91Å; E326-Y348 WeakPolarHBondContact OE2-CE2 3.39Å; E326-Y348 PolarHBondContact OE2-OH 2.82Å; T346-Y348 PolarHBondContact O-N 3.03Å; T346-Y348 PolarHBondContact OG1-N 2.75Å |
| 349 | S | 94.3 | Very high | 85.4 | Confident | 27 Ų | 27 | 58.9 Ų | 58.9 | 19% | 0.189 | 33% | 0.334 | C | S | . | . | trans | -65.2 | 138.3 | 176.5 | -61.7 | 0 | 0 | 0 | 0 | 110.5 | T346 I401 | T346-S349 PolarHBondContact N-OG 3.37Å; T346-S349 WeakPolarHBondContact O-CB 3.37Å; T346-S349 PolarHBondContact O-N 2.9Å; T346-S349 VanDerWaalsContact O-N 3.07Å; T346-S349 PolarHBondContact O-OG 3.39Å; T346-S349 PolarHBondContact OG1-N 3.47Å; T346-S349 PolarHBondContact OG1-OG 2.8Å; S349-I401 WeakPolarHBondContact O-CD1 3.49Å | ||
| 350 | K | 94 | Very high | 85.6 | Confident | 78 Ų | 78 | 58.9 Ų | 58.9 | 34% | 0.339 | 33% | 0.33 | S | S | . | . | B | Isolated β-bridge | trans | -90.2 | 148.7 | 170.3 | -67.7 | -171.9 | 172.6 | -170.7 | 0 | 110.7 | D352 S353 I354 | K350-D352 WeakPolarHBondContact CB-OD1 3.35Å; K350-S353 PolarHBondContact O-N 3.5Å; K350-I354 WeakPolarHBondContact O-CG1 3.38Å; K350-I354 PolarHBondContact O-N 3.24Å |
| 351 | W | 93 | Very high | 85.4 | Confident | 4 Ų | 4 | 61 Ų | 61 | 2% | 0.015 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -66 | -39.4 | -177.2 | -179.5 | -104.2 | 0 | 0 | 0 | 113.1 | S353 I354 Q355 V362 F386 L388 F393 V395 N399 | W351-S353 VanDerWaalsContact C-N 3.31Å; W351-S353 PolarHBondContact O-N 2.83Å; W351-I354 HydrophobicContact CE3-CD1 4.42Å; W351-I354 HydrophobicContact CZ3-CG2 4.32Å; W351-I354 PolarHBondContact O-N 2.85Å; W351-I354 VanDerWaalsContact O-N 3.15Å; W351-Q355 WeakPolarHBondContact O-CB 3.24Å; W351-Q355 PolarHBondContact O-N 2.91Å; W351-V362 HydrophobicContact CZ2-CG1 4.39Å; W351-V362 HydrophobicContact CZ2-CG2 4.24Å; W351-F386 AromaticContact CD1-CE2 3.88Å; W351-F386 HydrophobicContact CD2-CD2 4.13Å; W351-F386 HydrophobicContact CD2-CG 4.42Å; W351-F386 AromaticContact CE2-CD1 3.87Å; W351-F386 AromaticContact CE2-CD2 3.6Å; W351-F386 AromaticContact CE2-CG 3.52Å; W351-F386 HydrophobicContact CG-CD2 4.5Å; W351-F386 HydrophobicContact CG-CE2 4.44Å; W351-F386 HydrophobicContact CH2-CB 3.45Å; W351-F386 VanDerWaalsContact CH2-CB 3.45Å; W351-F386 HydrophobicContact CH2-CG 4.05Å; W351-F386 HydrophobicContact CZ2-CB 3.21Å; W351-F386 AromaticContact CZ2-CD1 3.65Å; W351-F386 HydrophobicContact CZ2-CD1 3.65Å; W351-F386 AromaticContact CZ2-CD2 3.87Å; W351-F386 HydrophobicContact CZ2-CD2 3.87Å; W351-F386 HydrophobicContact CZ2-CE1 4.42Å; W351-F386 AromaticContact CZ2-CG 3.31Å; W351-F386 HydrophobicContact CZ2-CG 3.31Å; W351-F386 HydrophobicContact CZ3-CB 4.3Å; W351-F386 AromaticContact NE1-CD1 3.78Å; W351-F386 AromaticContact NE1-CD2 3.68Å; W351-F386 AromaticContact NE1-CE1 3.67Å; W351-F386 AromaticContact NE1-CE2 3.58Å; W351-F386 AromaticContact NE1-CG 3.77Å; W351-F386 AromaticContact NE1-CZ 3.57Å; W351-L388 HydrophobicContact CH2-CD2 4.48Å; W351-F393 HydrophobicContact CE3-CB 3.86Å; W351-F393 HydrophobicContact CE3-CD1 4.3Å; W351-F393 HydrophobicContact CE3-CG 4.06Å; W351-F393 HydrophobicContact CH2-CB 4.21Å; W351-F393 HydrophobicContact CH2-CD2 4.21Å; W351-F393 HydrophobicContact CH2-CG 4.29Å; W351-F393 HydrophobicContact CZ3-CB 3.49Å; W351-F393 VanDerWaalsContact CZ3-CB 3.49Å; W351-F393 AromaticContact CZ3-CD1 3.96Å; W351-F393 HydrophobicContact CZ3-CD1 3.96Å; W351-F393 AromaticContact CZ3-CD2 3.68Å; W351-F393 HydrophobicContact CZ3-CD2 3.68Å; W351-F393 HydrophobicContact CZ3-CE2 4.41Å; W351-F393 AromaticContact CZ3-CG 3.42Å; W351-F393 HydrophobicContact CZ3-CG 3.42Å; W351-F393 VanDerWaalsContact CZ3-CG 3.42Å; W351-V395 HydrophobicContact CB-CB 4.39Å; W351-V395 HydrophobicContact CB-CG1 3.62Å; W351-V395 HydrophobicContact CB-CG2 3.81Å; W351-V395 HydrophobicContact CD2-CG2 3.78Å; W351-V395 HydrophobicContact CE3-CG2 4Å; W351-V395 HydrophobicContact CG-CB 4.45Å; W351-V395 HydrophobicContact CG-CG1 4.03Å; W351-V395 HydrophobicContact CG-CG2 3.67Å; W351-N399 PolarHBondContact N-O 2.9Å |
| 352 | D | 91.7 | Very high | 85 | Confident | 53 Ų | 53 | 58.4 Ų | 58.4 | 28% | 0.283 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -54.6 | -47.2 | 175.9 | 49.2 | 14.9 | 0 | 0 | 0 | 111.9 | K350 I354 Q355 D356 N399 | K350-D352 WeakPolarHBondContact CB-OD1 3.35Å; D352-I354 VanDerWaalsContact C-N 3.3Å; D352-I354 PolarHBondContact O-N 2.79Å; D352-Q355 WeakPolarHBondContact O-CB 3.38Å; D352-Q355 PolarHBondContact O-N 2.83Å; D352-Q355 VanDerWaalsContact O-N 3.12Å; D352-D356 VanDerWaalsContact O-CG 3.27Å; D352-D356 PolarHBondContact O-N 2.82Å; D352-N399 PolarHBondContact OD2-ND2 2.81Å |
| 353 | S | 90.8 | Very high | 84.6 | Confident | 63 Ų | 63 | 62.5 Ų | 62.5 | 44% | 0.441 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.5 | -37.3 | 179.4 | -52.4 | 0 | 0 | 0 | 0 | 111.5 | K350 W351 L357 | K350-S353 PolarHBondContact O-N 3.5Å; W351-S353 VanDerWaalsContact C-N 3.31Å; W351-S353 PolarHBondContact O-N 2.83Å; S353-L357 WeakPolarHBondContact O-CD1 3.45Å; S353-L357 VanDerWaalsContact O-CG 3.23Å; S353-L357 WeakPolarHBondContact O-CG 3.25Å; S353-L357 PolarHBondContact O-N 2.88Å |
| 354 | I | 88.9 | Confident | 84.3 | Confident | 8 Ų | 8 | 68.1 Ų | 68.1 | 4% | 0.041 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -70 | -41.6 | 175.2 | -63.9 | 167.8 | 0 | 0 | 0 | 110.5 | L331 C345 K350 W351 D352 L357 L358 L388 I401 | L331-I354 HydrophobicContact CD1-CG2 3.91Å; C345-I354 HydrophobicContact CB-CD1 4.35Å; C345-I354 WeakPolarHBondContact SG-CD1 3.3Å; K350-I354 WeakPolarHBondContact O-CG1 3.38Å; K350-I354 PolarHBondContact O-N 3.24Å; W351-I354 HydrophobicContact CE3-CD1 4.42Å; W351-I354 HydrophobicContact CZ3-CG2 4.32Å; W351-I354 PolarHBondContact O-N 2.85Å; W351-I354 VanDerWaalsContact O-N 3.15Å; D352-I354 VanDerWaalsContact C-N 3.3Å; D352-I354 PolarHBondContact O-N 2.79Å; I354-L357 PolarHBondContact O-N 3.22Å; I354-L358 HydrophobicContact CG2-CD1 4.48Å; I354-L358 WeakPolarHBondContact O-CG 3.37Å; I354-L358 PolarHBondContact O-N 2.86Å; I354-L388 HydrophobicContact CG2-CD2 4.21Å; I354-I401 HydrophobicContact CD1-CD1 3.71Å |
| 355 | Q | 86.4 | Confident | 84.2 | Confident | 71 Ų | 71 | 66.6 Ų | 66.6 | 33% | 0.332 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -64.1 | -42.1 | -179.6 | -173.9 | 175.7 | -51.9 | 0 | 0 | 111.6 | W351 D352 L357 L358 V362 | W351-Q355 WeakPolarHBondContact O-CB 3.24Å; W351-Q355 PolarHBondContact O-N 2.91Å; D352-Q355 WeakPolarHBondContact O-CB 3.38Å; D352-Q355 PolarHBondContact O-N 2.83Å; D352-Q355 VanDerWaalsContact O-N 3.12Å; Q355-L357 VanDerWaalsContact C-N 3.25Å; Q355-L357 PolarHBondContact O-N 3.18Å; Q355-L358 PolarHBondContact O-N 2.87Å; Q355-L358 VanDerWaalsContact O-N 3.11Å; Q355-V362 HydrophobicContact CG-CG2 4.25Å |
| 356 | D | 85.3 | Confident | 83.9 | Confident | 128 Ų | 128 | 70.6 Ų | 70.6 | 68% | 0.684 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -60.8 | -37 | 176.6 | -69.3 | -19.7 | 0 | 0 | 0 | 111.7 | D352 L358 G359 | D352-D356 VanDerWaalsContact O-CG 3.27Å; D352-D356 PolarHBondContact O-N 2.82Å; D356-L358 VanDerWaalsContact C-N 3.28Å; D356-L358 PolarHBondContact O-N 3.1Å; D356-G359 PolarHBondContact O-N 2.83Å |
| 357 | L | 82.6 | Confident | 83.7 | Confident | 66 Ų | 66 | 71.7 Ų | 71.7 | 35% | 0.346 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -68.9 | -24.5 | 177.9 | -68 | 167.3 | 0 | 0 | 0 | 113.4 | I333 S353 I354 Q355 G359 | I333-L357 HydrophobicContact CD1-CB 3.61Å; I333-L357 HydrophobicContact CD1-CD1 4.21Å; I333-L357 HydrophobicContact CD1-CG 4.37Å; I333-L357 WeakPolarHBondContact CG2-O 3.4Å; S353-L357 WeakPolarHBondContact O-CD1 3.45Å; S353-L357 VanDerWaalsContact O-CG 3.23Å; S353-L357 WeakPolarHBondContact O-CG 3.25Å; S353-L357 PolarHBondContact O-N 2.88Å; I354-L357 PolarHBondContact O-N 3.22Å; Q355-L357 VanDerWaalsContact C-N 3.25Å; Q355-L357 PolarHBondContact O-N 3.18Å; L357-G359 VanDerWaalsContact C-N 3.34Å |
| 358 | L | 76.9 | Confident | 83.4 | Confident | 30 Ų | 30 | 74.7 Ų | 74.7 | 16% | 0.157 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -78.8 | -15.7 | -179.4 | -67.4 | 168.4 | 0 | 0 | 0 | 113.4 | I354 Q355 D356 H360 V362 L388 | I354-L358 HydrophobicContact CG2-CD1 4.48Å; I354-L358 WeakPolarHBondContact O-CG 3.37Å; I354-L358 PolarHBondContact O-N 2.86Å; Q355-L358 PolarHBondContact O-N 2.87Å; Q355-L358 VanDerWaalsContact O-N 3.11Å; D356-L358 VanDerWaalsContact C-N 3.28Å; D356-L358 PolarHBondContact O-N 3.1Å; L358-H360 PolarHBondContact O-N 3.43Å; L358-V362 HydrophobicContact CD1-CG2 3.87Å; L358-L388 HydrophobicContact CD1-CD1 3.66Å; L358-L388 HydrophobicContact CD1-CD2 3.82Å; L358-L388 HydrophobicContact CD1-CG 4.37Å; L358-L388 HydrophobicContact CD2-CD1 3.85Å; L358-L388 HydrophobicContact CD2-CD2 4.37Å; L358-L388 HydrophobicContact CG-CD1 4.44Å |
| 359 | G | 62.5 | Low | 82.8 | Confident | 62 Ų | 62 | 77.9 Ų | 77.9 | 64% | 0.639 | 42% | 0.422 | S | S | * | . | trans | 67.8 | -9.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | D356 L357 | D356-G359 PolarHBondContact O-N 2.83Å; L357-G359 VanDerWaalsContact C-N 3.34Å | ||
| 360 | H | 65.3 | Low | 82.2 | Confident | 131 Ų | 131 | 79 Ų | 79 | 61% | 0.606 | 42% | 0.423 | S | S | * | . | S | Bend | trans | -129.6 | 144.7 | 177.4 | -60.7 | -47 | 0 | 0 | 0 | 110.9 | L358 V362 | L358-H360 PolarHBondContact O-N 3.43Å; H360-V362 PolarHBondContact O-N 3.05Å; H360-V362 VanDerWaalsContact O-N 3.14Å |
| 361 | P | 62 | Low | 80.7 | Confident | 121 Ų | 121 | 80 Ų | 80 | 79% | 0.786 | 44% | 0.439 | S | S | * | . | P | Polyproline II helix | trans | -60.9 | 121 | 175.9 | 23.3 | -30.4 | 0 | 0 | 0 | 109.7 | ||
| 362 | V | 68.8 | Low | 78.9 | Confident | 34 Ų | 34 | 83.2 Ų | 83.2 | 21% | 0.206 | 46% | 0.463 | C | S | . | . | P | Polyproline II helix | trans | -62.1 | 147.8 | 172.4 | -176 | 0 | 0 | 0 | 0 | 108.5 | W351 Q355 L358 H360 F386 | W351-V362 HydrophobicContact CZ2-CG1 4.39Å; W351-V362 HydrophobicContact CZ2-CG2 4.24Å; Q355-V362 HydrophobicContact CG-CG2 4.25Å; L358-V362 HydrophobicContact CD1-CG2 3.87Å; H360-V362 PolarHBondContact O-N 3.05Å; H360-V362 VanDerWaalsContact O-N 3.14Å; V362-F386 HydrophobicContact CG1-CB 4.44Å; V362-F386 HydrophobicContact CG1-CD1 4.13Å |
| 363 | E | 74.6 | Confident | 77.3 | Confident | 172 Ų | 172 | 83.5 Ų | 83.5 | 80% | 0.804 | 47% | 0.468 | S | S | * | . | P | Polyproline II helix | trans | -49.3 | 151 | 173.4 | -71.4 | -175.8 | 167.4 | 0 | 0 | 111.6 | ||
| 364 | K | 82.1 | Confident | 75.5 | Confident | 199 Ų | 199 | 86.8 Ų | 86.8 | 87% | 0.865 | 49% | 0.489 | S | S | * | . | P | Polyproline II helix | trans | -54.6 | 130.8 | 179.9 | -71.2 | -174.3 | 178.7 | -179 | 0 | 110.1 | ||
| 365 | P | 88.9 | Confident | 73.9 | Confident | 46 Ų | 46 | 94.1 Ų | 94.1 | 30% | 0.299 | 53% | 0.528 | S | S | . | . | P | Polyproline II helix | trans | -68.4 | 152.7 | -176.4 | 26.2 | -33.4 | 0 | 0 | 0 | 111.9 | F384 C385 F386 | P365-F384 HydrophobicContact CB-CB 3.98Å; P365-F384 HydrophobicContact CB-CD1 4.48Å; P365-F384 HydrophobicContact CG-CB 4.3Å; P365-F384 HydrophobicContact CG-CD1 4.11Å; P365-C385 WeakPolarHBondContact CA-O 3.5Å; P365-C385 WeakPolarHBondContact CB-O 3.35Å; P365-F386 HydrophobicContact CB-CD1 3.77Å; P365-F386 HydrophobicContact CB-CD2 4.25Å; P365-F386 HydrophobicContact CB-CE1 3.53Å; P365-F386 HydrophobicContact CB-CE2 4.03Å; P365-F386 HydrophobicContact CB-CG 4.14Å; P365-F386 HydrophobicContact CB-CZ 3.67Å; P365-F386 HydrophobicContact CG-CD1 4.3Å; P365-F386 HydrophobicContact CG-CE1 3.59Å; P365-F386 HydrophobicContact CG-CE2 4.43Å; P365-F386 HydrophobicContact CG-CZ 3.66Å |
| 366 | V | 89.4 | Confident | 72.9 | Confident | 87 Ų | 87 | 94.1 Ų | 94.1 | 53% | 0.527 | 53% | 0.53 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 128.1 | 165.3 | 178.1 | 0 | 0 | 0 | 0 | 108.3 | C385 | V366-C385 HydrophobicContact CB-CB 4.23Å; V366-C385 PolarHBondContact N-O 3.15Å; V366-C385 PolarHBondContact O-N 3.33Å |
| 367 | V | 90.3 | Very high | 72.2 | Confident | 64 Ų | 64 | 92.9 Ų | 92.9 | 39% | 0.388 | 53% | 0.527 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 122 | 176.9 | -171.5 | 0 | 0 | 0 | 0 | 109.5 | H369 F384 | V367-H369 WeakPolarHBondContact CG1-NE2 3.12Å; V367-F384 HydrophobicContact CG1-CE1 4.43Å; V367-F384 HydrophobicContact CG2-CD1 4.03Å; V367-F384 HydrophobicContact CG2-CE1 4.01Å |
| 368 | L | 87.7 | Confident | 72.2 | Confident | 64 Ų | 64 | 90.9 Ų | 90.9 | 34% | 0.335 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 107.2 | 178.9 | -174.9 | 67.4 | 0 | 0 | 0 | 110.2 | R370 S382 T383 | L368-R370 HydrophobicContact CD2-CG 4.4Å; L368-R370 HydrophobicContact CG-CG 4.36Å; L368-S382 WeakPolarHBondContact O-CA 3.34Å; L368-S382 WeakPolarHBondContact O-CB 3.35Å; L368-T383 PolarHBondContact N-O 3.2Å; L368-T383 PolarHBondContact O-N 3.07Å |
| 369 | H | 84.3 | Confident | 72.5 | Confident | 127 Ų | 127 | 94.1 Ų | 94.1 | 59% | 0.588 | 54% | 0.54 | S | S | * | . | trans | -93.7 | 105.6 | 169.3 | -65.1 | -85.8 | 0 | 0 | 0 | 109.3 | V367 S371 | V367-H369 WeakPolarHBondContact CG1-NE2 3.12Å; H369-S371 PolarHBondContact O-N 3.19Å | ||
| 370 | R | 80.3 | Confident | 73.6 | Confident | 51 Ų | 51 | 94.8 Ų | 94.8 | 19% | 0.192 | 53% | 0.525 | C | S | . | . | trans | -76.7 | 94.2 | 168.1 | -62.4 | 179.7 | -171.8 | -159.3 | -1.4 | 107.3 | H316 Y317 N318 L368 N378 E394 | H316-R370 VanDerWaalsContact CE1-CZ 3.47Å; H316-R370 PolarHBondContact CE1-NH1 2.86Å; H316-R370 VanDerWaalsContact CE1-NH1 3.3Å; H316-R370 PolarHBondContact CE1-NH2 3.12Å; H316-R370 PolarHBondContact NE2-NH2 3.19Å; Y317-R370 HydrophobicContact CD2-CB 4.31Å; Y317-R370 HydrophobicContact CG-CB 4.36Å; N318-R370 PolarHBondContact ND2-NH1 2.87Å; N318-R370 PolarHBondContact OD1-NH1 2.93Å; L368-R370 HydrophobicContact CD2-CG 4.4Å; L368-R370 HydrophobicContact CG-CG 4.36Å; R370-N378 VanDerWaalsContact O-CB 3.29Å; R370-N378 WeakPolarHBondContact O-CB 3.3Å; R370-E394 IonicContact CZ-OE1 3.91Å; R370-E394 IonicContact NE-OE1 3.99Å; R370-E394 VanDerWaalsContact NH2-CD 3.26Å; R370-E394 IonicContact NH2-OE1 3.71Å; R370-E394 PolarHBondContact NH2-OE1 2.76Å; R370-E394 IonicContact NH2-OE2 3.75Å; R370-E394 PolarHBondContact NH2-OE2 3.05Å | ||
| 371 | S | 62.1 | Low | 74.6 | Confident | 99 Ų | 99 | 90.4 Ų | 90.4 | 69% | 0.692 | 52% | 0.515 | S | S | * | . | P | Polyproline II helix | trans | -61.1 | 138 | -174.9 | -41.2 | 0 | 0 | 0 | 0 | 111 | H369 S373 | H369-S371 PolarHBondContact O-N 3.19Å; S371-S373 PolarHBondContact O-N 3.45Å |
| 372 | S | 56.7 | Low | 76 | Confident | 72 Ų | 72 | 85.7 Ų | 85.7 | 50% | 0.503 | 49% | 0.485 | S | S | . | . | P | Polyproline II helix | trans | -63.9 | 123.1 | 171.2 | -58.1 | 0 | 0 | 0 | 0 | 110.2 | N376 T377 N378 | S372-N376 CarbonylContact C-O 3.47Å; S372-N376 WeakPolarHBondContact CA-O 3.06Å; S372-T377 WeakPolarHBondContact OG-CA 3.44Å; S372-N378 PolarHBondContact OG-N 3.48Å |
| 373 | S | 58.6 | Low | 77.2 | Confident | 58 Ų | 58 | 84.7 Ų | 84.7 | 41% | 0.406 | 48% | 0.479 | S | S | . | . | B | Isolated β-bridge | trans | -86.1 | 164.9 | 161.8 | 76.1 | 0 | 0 | 0 | 0 | 109.2 | S371 N375 N376 | S371-S373 PolarHBondContact O-N 3.45Å; S373-N375 PolarHBondContact O-N 2.88Å; S373-N376 PolarHBondContact N-O 3.49Å; S373-N376 CarbonylContact O-C 3.45Å; S373-N376 PolarHBondContact O-N 2.87Å; S373-N376 VanDerWaalsContact OG-CB 3.28Å; S373-N376 WeakPolarHBondContact OG-CB 3.33Å; S373-N376 PolarHBondContact OG-N 2.88Å |
| 374 | P | 52.6 | Low | 78.2 | Confident | 133 Ų | 133 | 79.7 Ų | 79.7 | 86% | 0.864 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | -28.7 | -178.9 | -25.4 | 33.3 | 0 | 0 | 0 | 114 | ||
| 375 | N | 54.3 | Low | 78.8 | Confident | 162 Ų | 162 | 71.4 Ų | 71.4 | 87% | 0.866 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.3 | 4.8 | -177.8 | -62.1 | -23.3 | 0 | 0 | 0 | 113.6 | S373 | S373-N375 PolarHBondContact O-N 2.88Š|
| 376 | N | 64.9 | Low | 79 | Confident | 70 Ų | 70 | 70.3 Ų | 70.3 | 37% | 0.374 | 41% | 0.412 | S | S | . | . | B | Isolated β-bridge | trans | -151.6 | 95.2 | -175.9 | -168.6 | -32.8 | 0 | 0 | 0 | 109.3 | Y317 S372 S373 | Y317-N376 VanDerWaalsContact CE2-OD1 3.25Å; Y317-N376 WeakPolarHBondContact CE2-OD1 3.46Å; Y317-N376 PolarHBondContact OH-ND2 3.25Å; Y317-N376 PolarHBondContact OH-OD1 3.38Å; S372-N376 CarbonylContact C-O 3.47Å; S372-N376 WeakPolarHBondContact CA-O 3.06Å; S373-N376 PolarHBondContact N-O 3.49Å; S373-N376 CarbonylContact O-C 3.45Å; S373-N376 PolarHBondContact O-N 2.87Å; S373-N376 VanDerWaalsContact OG-CB 3.28Å; S373-N376 WeakPolarHBondContact OG-CB 3.33Å; S373-N376 PolarHBondContact OG-N 2.88Å |
| 377 | T | 71.3 | Confident | 79 | Confident | 102 Ų | 102 | 68.4 Ų | 68.4 | 63% | 0.626 | 41% | 0.41 | S | S | * | . | trans | -91.4 | 135 | 175.8 | 45.3 | 0 | 0 | 0 | 0 | 109.9 | S372 P379 | S372-T377 WeakPolarHBondContact OG-CA 3.44Å; T377-P379 WeakPolarHBondContact O-CD 3.23Å | ||
| 378 | N | 82.3 | Confident | 79 | Confident | 25 Ų | 25 | 66.4 Ų | 66.4 | 13% | 0.134 | 40% | 0.397 | C | S | . | . | trans | -89.3 | 107.4 | 171.6 | 176.8 | 15.7 | 0 | 0 | 0 | 109.5 | Y317 R370 S372 F380 G381 | Y317-N378 HydrophobicContact CD2-CB 3.67Å; Y317-N378 HydrophobicContact CE2-CB 4.01Å; R370-N378 VanDerWaalsContact O-CB 3.29Å; R370-N378 WeakPolarHBondContact O-CB 3.3Å; S372-N378 PolarHBondContact OG-N 3.48Å; N378-F380 VanDerWaalsContact C-N 3.34Å; N378-F380 PolarHBondContact OD1-N 2.73Å; N378-F380 VanDerWaalsContact OD1-N 3.12Å; N378-G381 PolarHBondContact ND2-O 3.48Å | ||
| 379 | P | 83.6 | Confident | 78.9 | Confident | 97 Ų | 97 | 65.8 Ų | 65.8 | 63% | 0.63 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -11.3 | -177.6 | 34.9 | -35.9 | 0 | 0 | 0 | 113.4 | T377 | T377-P379 WeakPolarHBondContact O-CD 3.23Š|
| 380 | F | 86.3 | Confident | 79.1 | Confident | 77 Ų | 77 | 63.6 Ų | 63.6 | 34% | 0.338 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | 3.6 | -167.3 | -50.7 | -62.8 | 0 | 0 | 0 | 114.7 | G315 H316 N378 | G315-F380 WeakPolarHBondContact O-CB 3.08Å; G315-F380 VanDerWaalsContact O-CG 3.26Å; G315-F380 WeakPolarHBondContact O-CG 3.45Å; H316-F380 WeakPolarHBondContact O-CE2 3.26Å; N378-F380 VanDerWaalsContact C-N 3.34Å; N378-F380 PolarHBondContact OD1-N 2.73Å; N378-F380 VanDerWaalsContact OD1-N 3.12Å |
| 381 | G | 86.3 | Confident | 79.7 | Confident | 38 Ų | 38 | 61.2 Ų | 61.2 | 39% | 0.392 | 37% | 0.37 | S | S | . | . | trans | 76.1 | -163 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114 | N378 | N378-G381 PolarHBondContact ND2-O 3.48Š| ||
| 382 | S | 90.8 | Very high | 81.3 | Confident | 22 Ų | 22 | 59 Ų | 59 | 15% | 0.154 | 35% | 0.35 | C | S | . | . | trans | -88.1 | 157.9 | -177.9 | 48.3 | 0 | 0 | 0 | 0 | 113.1 | L368 | L368-S382 WeakPolarHBondContact O-CA 3.34Å; L368-S382 WeakPolarHBondContact O-CB 3.35Å | ||
| 383 | T | 94 | Very high | 83.1 | Confident | 13 Ų | 13 | 55.6 Ų | 55.6 | 8% | 0.08 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 163.2 | 170.2 | 53.8 | 0 | 0 | 0 | 0 | 110.5 | L368 E394 V395 M396 | L368-T383 PolarHBondContact N-O 3.2Å; L368-T383 PolarHBondContact O-N 3.07Å; T383-E394 HydrophobicContact CG2-CG 4.28Å; T383-E394 WeakPolarHBondContact OG1-CG 3.45Å; T383-E394 PolarHBondContact OG1-OE1 3.42Å; T383-V395 WeakPolarHBondContact CA-O 3.35Å; T383-V395 WeakPolarHBondContact CB-O 3.24Å; T383-M396 HydrophobicContact CG2-CG 4.41Å |
| 384 | F | 94.9 | Very high | 84.9 | Confident | 67 Ų | 67 | 53.2 Ų | 53.2 | 29% | 0.294 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 128.3 | -178.5 | -58.6 | -79.1 | 0 | 0 | 0 | 110.2 | P365 V367 F386 E394 V395 Q397 | P365-F384 HydrophobicContact CB-CB 3.98Å; P365-F384 HydrophobicContact CB-CD1 4.48Å; P365-F384 HydrophobicContact CG-CB 4.3Å; P365-F384 HydrophobicContact CG-CD1 4.11Å; V367-F384 HydrophobicContact CG1-CE1 4.43Å; V367-F384 HydrophobicContact CG2-CD1 4.03Å; V367-F384 HydrophobicContact CG2-CE1 4.01Å; F384-F386 HydrophobicContact CB-CD2 4.35Å; F384-F386 HydrophobicContact CB-CE2 3.6Å; F384-F386 HydrophobicContact CB-CZ 4.12Å; F384-E394 CarbonylContact O-C 3.51Å; F384-E394 WeakPolarHBondContact O-CA 3.41Å; F384-V395 PolarHBondContact N-O 3.4Å; F384-V395 PolarHBondContact O-N 3.2Å; F384-Q397 HydrophobicContact CE2-CG 4.41Å |
| 385 | C | 94.5 | Very high | 87 | Confident | 25 Ų | 25 | 47 Ų | 47 | 17% | 0.169 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 117.5 | -179.4 | -67.2 | 0 | 0 | 0 | 0 | 110.4 | P365 V366 I392 F393 | P365-C385 WeakPolarHBondContact CA-O 3.5Å; P365-C385 WeakPolarHBondContact CB-O 3.35Å; V366-C385 HydrophobicContact CB-CB 4.23Å; V366-C385 PolarHBondContact N-O 3.15Å; V366-C385 PolarHBondContact O-N 3.33Å; C385-I392 HydrophobicContact CB-CG2 3.79Å; C385-F393 CarbonylContact C-O 3.48Å; C385-F393 VanDerWaalsContact CA-O 3.32Å; C385-F393 WeakPolarHBondContact CA-O 3.48Å |
| 386 | F | 93.4 | Very high | 88.9 | Confident | 23 Ų | 23 | 39.9 Ų | 39.9 | 10% | 0.101 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 131.7 | 178.8 | -62.1 | -92.3 | 0 | 0 | 0 | 110.8 | W351 V362 P365 F384 I392 F393 V395 | W351-F386 AromaticContact CD1-CE2 3.88Å; W351-F386 HydrophobicContact CD2-CD2 4.13Å; W351-F386 HydrophobicContact CD2-CG 4.42Å; W351-F386 AromaticContact CE2-CD1 3.87Å; W351-F386 AromaticContact CE2-CD2 3.6Å; W351-F386 AromaticContact CE2-CG 3.52Å; W351-F386 HydrophobicContact CG-CD2 4.5Å; W351-F386 HydrophobicContact CG-CE2 4.44Å; W351-F386 HydrophobicContact CH2-CB 3.45Å; W351-F386 VanDerWaalsContact CH2-CB 3.45Å; W351-F386 HydrophobicContact CH2-CG 4.05Å; W351-F386 HydrophobicContact CZ2-CB 3.21Å; W351-F386 AromaticContact CZ2-CD1 3.65Å; W351-F386 HydrophobicContact CZ2-CD1 3.65Å; W351-F386 AromaticContact CZ2-CD2 3.87Å; W351-F386 HydrophobicContact CZ2-CD2 3.87Å; W351-F386 HydrophobicContact CZ2-CE1 4.42Å; W351-F386 AromaticContact CZ2-CG 3.31Å; W351-F386 HydrophobicContact CZ2-CG 3.31Å; W351-F386 HydrophobicContact CZ3-CB 4.3Å; W351-F386 AromaticContact NE1-CD1 3.78Å; W351-F386 AromaticContact NE1-CD2 3.68Å; W351-F386 AromaticContact NE1-CE1 3.67Å; W351-F386 AromaticContact NE1-CE2 3.58Å; W351-F386 AromaticContact NE1-CG 3.77Å; W351-F386 AromaticContact NE1-CZ 3.57Å; V362-F386 HydrophobicContact CG1-CB 4.44Å; V362-F386 HydrophobicContact CG1-CD1 4.13Å; P365-F386 HydrophobicContact CB-CD1 3.77Å; P365-F386 HydrophobicContact CB-CD2 4.25Å; P365-F386 HydrophobicContact CB-CE1 3.53Å; P365-F386 HydrophobicContact CB-CE2 4.03Å; P365-F386 HydrophobicContact CB-CG 4.14Å; P365-F386 HydrophobicContact CB-CZ 3.67Å; P365-F386 HydrophobicContact CG-CD1 4.3Å; P365-F386 HydrophobicContact CG-CE1 3.59Å; P365-F386 HydrophobicContact CG-CE2 4.43Å; P365-F386 HydrophobicContact CG-CZ 3.66Å; F384-F386 HydrophobicContact CB-CD2 4.35Å; F384-F386 HydrophobicContact CB-CE2 3.6Å; F384-F386 HydrophobicContact CB-CZ 4.12Å; F386-I392 CarbonylContact O-C 3.4Å; F386-I392 VanDerWaalsContact O-CA 3.3Å; F386-I392 WeakPolarHBondContact O-CA 3.42Å; F386-F393 PolarHBondContact N-O 3.12Å; F386-F393 PolarHBondContact O-N 3.11Å; F386-V395 HydrophobicContact CD2-CB 4.2Å; F386-V395 HydrophobicContact CD2-CG2 3.71Å; F386-V395 HydrophobicContact CE2-CB 4Å; F386-V395 HydrophobicContact CE2-CG2 3.96Å |
| 387 | G | 90.9 | Very high | 90.2 | Very high | 48 Ų | 48 | 42.3 Ų | 42.3 | 50% | 0.495 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 127.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | M391 | G387-M391 WeakPolarHBondContact CA-O 3.12Å |
| 388 | L | 88.9 | Confident | 91.2 | Very high | 22 Ų | 22 | 38.8 Ų | 38.8 | 12% | 0.115 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 125 | 175.9 | -179.8 | 66.4 | 0 | 0 | 0 | 110.8 | L331 W351 I354 L358 R390 M391 F393 | L331-L388 HydrophobicContact CD2-CD2 4.48Å; W351-L388 HydrophobicContact CH2-CD2 4.48Å; I354-L388 HydrophobicContact CG2-CD2 4.21Å; L358-L388 HydrophobicContact CD1-CD1 3.66Å; L358-L388 HydrophobicContact CD1-CD2 3.82Å; L358-L388 HydrophobicContact CD1-CG 4.37Å; L358-L388 HydrophobicContact CD2-CD1 3.85Å; L358-L388 HydrophobicContact CD2-CD2 4.37Å; L358-L388 HydrophobicContact CG-CD1 4.44Å; L388-R390 VanDerWaalsContact C-N 3.3Å; L388-R390 PolarHBondContact O-N 3.32Å; L388-R390 VanDerWaalsContact O-N 3.15Å; L388-M391 PolarHBondContact N-O 3.26Å; L388-M391 WeakPolarHBondContact O-CA 3.29Å; L388-M391 WeakPolarHBondContact O-CB 3.4Å; L388-M391 PolarHBondContact O-N 2.92Å; L388-F393 HydrophobicContact CB-CD2 4.13Å; L388-F393 HydrophobicContact CB-CE2 3.95Å; L388-F393 HydrophobicContact CD2-CE2 4.08Å; L388-F393 HydrophobicContact CG-CE2 4.45Å |
| 389 | Q | 86.9 | Confident | 91.8 | Very high | 51 Ų | 51 | 40.7 Ų | 40.7 | 24% | 0.238 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48.5 | 45.2 | 171.4 | -59.8 | -178.2 | 31.6 | 0 | 0 | 114.8 | R205 V332 M391 | R205-Q389 VanDerWaalsContact CZ-OE1 3.28Å; V332-Q389 PolarHBondContact O-NE2 2.7Å; Q389-M391 VanDerWaalsContact C-N 3.29Å; Q389-M391 HydrophobicContact CB-CE 3.87Å; Q389-M391 PolarHBondContact O-N 3.17Å |
| 390 | R | 88.5 | Confident | 92.4 | Very high | 81 Ų | 81 | 36.3 Ų | 36.3 | 31% | 0.306 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.9 | 30.3 | -176.8 | -51.2 | 179 | 69.7 | 166.5 | 10.1 | 114.5 | T208 L388 Y407 | T208-R390 VanDerWaalsContact O-CD 3.23Å; T208-R390 WeakPolarHBondContact O-CD 3.25Å; T208-R390 PolarHBondContact O-NH1 2.88Å; L388-R390 VanDerWaalsContact C-N 3.3Å; L388-R390 PolarHBondContact O-N 3.32Å; L388-R390 VanDerWaalsContact O-N 3.15Å; R390-Y407 VanDerWaalsContact C-CZ 3.45Å; R390-Y407 VanDerWaalsContact CA-CZ 3.44Å; R390-Y407 WeakPolarHBondContact CA-OH 3.43Å; R390-Y407 HydrophobicContact CB-CD2 4.34Å; R390-Y407 HydrophobicContact CB-CE2 4Å; R390-Y407 HydrophobicContact CG-CE2 4.47Å; R390-Y407 WeakPolarHBondContact O-CD1 3.3Å; R390-Y407 WeakPolarHBondContact O-CE1 3.33Å; R390-Y407 PolarHBondContact O-N 3.42Å |
| 391 | M | 92.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 151.4 | 173.7 | -53.7 | 174.6 | -82.1 | 0 | 0 | 108.6 | P210 I329 L331 G387 L388 Q389 F393 V404 T405 L406 | P210-M391 HydrophobicContact CG-CG 3.77Å; P210-M391 HydrophobicContact CG-SD 4.08Å; I329-M391 HydrophobicContact CD1-SD 4.46Å; I329-M391 HydrophobicContact CG2-CE 3.97Å; I329-M391 HydrophobicContact CG2-SD 3.7Å; L331-M391 HydrophobicContact CD2-CE 3.69Å; G387-M391 WeakPolarHBondContact CA-O 3.12Å; L388-M391 PolarHBondContact N-O 3.26Å; L388-M391 WeakPolarHBondContact O-CA 3.29Å; L388-M391 WeakPolarHBondContact O-CB 3.4Å; L388-M391 PolarHBondContact O-N 2.92Å; Q389-M391 VanDerWaalsContact C-N 3.29Å; Q389-M391 HydrophobicContact CB-CE 3.87Å; Q389-M391 PolarHBondContact O-N 3.17Å; M391-F393 HydrophobicContact CB-CD2 4.45Å; M391-F393 HydrophobicContact CB-CE2 3.88Å; M391-F393 HydrophobicContact CE-CE2 4.32Å; M391-F393 HydrophobicContact CE-CZ 4.38Å; M391-F393 HydrophobicContact SD-CZ 4.47Å; M391-V404 HydrophobicContact CB-CG1 4.22Å; M391-T405 CarbonylContact C-O 3.53Å; M391-T405 WeakPolarHBondContact CA-O 3.46Å; M391-L406 HydrophobicContact CB-CD2 4.14Å; M391-L406 HydrophobicContact CG-CD2 3.46Å; M391-L406 VanDerWaalsContact CG-CD2 3.46Å; M391-L406 HydrophobicContact SD-CD2 3.51Å; M391-L406 VanDerWaalsContact SD-CD2 3.51Å |
| 392 | I | 94.3 | Very high | 93.3 | Very high | 54 Ų | 54 | 30.9 Ų | 30.9 | 28% | 0.277 | 16% | 0.164 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 121.5 | 171.2 | -62.3 | 159 | 0 | 0 | 0 | 107.2 | C385 F386 V404 T405 Y407 | C385-I392 HydrophobicContact CB-CG2 3.79Å; F386-I392 CarbonylContact O-C 3.4Å; F386-I392 VanDerWaalsContact O-CA 3.3Å; F386-I392 WeakPolarHBondContact O-CA 3.42Å; I392-V404 WeakPolarHBondContact O-CA 3.42Å; I392-T405 PolarHBondContact N-O 3.36Å; I392-T405 PolarHBondContact O-N 2.72Å; I392-Y407 HydrophobicContact CD1-CE1 4.16Å; I392-Y407 HydrophobicContact CG1-CE1 3.92Å |
| 393 | F | 95.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 115.2 | 174.3 | -68.3 | -98.1 | 0 | 0 | 0 | 108.4 | I329 L331 W351 C385 F386 L388 M391 V395 I401 V404 | I329-F393 HydrophobicContact CD1-CE1 4.45Å; L331-F393 HydrophobicContact CD2-CZ 4.39Å; W351-F393 HydrophobicContact CE3-CB 3.86Å; W351-F393 HydrophobicContact CE3-CD1 4.3Å; W351-F393 HydrophobicContact CE3-CG 4.06Å; W351-F393 HydrophobicContact CH2-CB 4.21Å; W351-F393 HydrophobicContact CH2-CD2 4.21Å; W351-F393 HydrophobicContact CH2-CG 4.29Å; W351-F393 HydrophobicContact CZ3-CB 3.49Å; W351-F393 VanDerWaalsContact CZ3-CB 3.49Å; W351-F393 AromaticContact CZ3-CD1 3.96Å; W351-F393 HydrophobicContact CZ3-CD1 3.96Å; W351-F393 AromaticContact CZ3-CD2 3.68Å; W351-F393 HydrophobicContact CZ3-CD2 3.68Å; W351-F393 HydrophobicContact CZ3-CE2 4.41Å; W351-F393 AromaticContact CZ3-CG 3.42Å; W351-F393 HydrophobicContact CZ3-CG 3.42Å; W351-F393 VanDerWaalsContact CZ3-CG 3.42Å; C385-F393 CarbonylContact C-O 3.48Å; C385-F393 VanDerWaalsContact CA-O 3.32Å; C385-F393 WeakPolarHBondContact CA-O 3.48Å; F386-F393 PolarHBondContact N-O 3.12Å; F386-F393 PolarHBondContact O-N 3.11Å; L388-F393 HydrophobicContact CB-CD2 4.13Å; L388-F393 HydrophobicContact CB-CE2 3.95Å; L388-F393 HydrophobicContact CD2-CE2 4.08Å; L388-F393 HydrophobicContact CG-CE2 4.45Å; M391-F393 HydrophobicContact CB-CD2 4.45Å; M391-F393 HydrophobicContact CB-CE2 3.88Å; M391-F393 HydrophobicContact CE-CE2 4.32Å; M391-F393 HydrophobicContact CE-CZ 4.38Å; M391-F393 HydrophobicContact SD-CZ 4.47Å; F393-V395 HydrophobicContact CB-CG2 4.28Å; F393-I401 HydrophobicContact CD1-CD1 3.95Å; F393-I401 HydrophobicContact CD1-CG1 4.39Å; F393-I401 HydrophobicContact CD1-CG2 4.22Å; F393-I401 HydrophobicContact CE1-CD1 4.3Å; F393-V404 HydrophobicContact CD1-CG1 4.26Å; F393-V404 HydrophobicContact CD1-CG2 3.68Å; F393-V404 HydrophobicContact CE1-CG1 4.04Å; F393-V404 HydrophobicContact CE1-CG2 3.76Å; F393-V404 HydrophobicContact CZ-CG1 4.18Å |
| 394 | E | 96.4 | Very high | 93.8 | Very high | 7 Ų | 7 | 29.4 Ų | 29.4 | 3% | 0.033 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 119.3 | 169.1 | -176 | -174.4 | -173.7 | 0 | 0 | 108.5 | H316 R370 T383 F384 I401 A402 S403 | H316-E394 IonicContact CD2-OE1 3.55Å; H316-E394 IonicContact CE1-OE1 3.81Å; H316-E394 IonicContact CE1-OE2 3.57Å; H316-E394 IonicContact NE2-OE1 3.76Å; H316-E394 PolarHBondContact NE2-OE1 3.2Å; H316-E394 IonicContact NE2-OE2 2.89Å; R370-E394 IonicContact CZ-OE1 3.91Å; R370-E394 IonicContact NE-OE1 3.99Å; R370-E394 VanDerWaalsContact NH2-CD 3.26Å; R370-E394 IonicContact NH2-OE1 3.71Å; R370-E394 PolarHBondContact NH2-OE1 2.76Å; R370-E394 IonicContact NH2-OE2 3.75Å; R370-E394 PolarHBondContact NH2-OE2 3.05Å; T383-E394 HydrophobicContact CG2-CG 4.28Å; T383-E394 WeakPolarHBondContact OG1-CG 3.45Å; T383-E394 PolarHBondContact OG1-OE1 3.42Å; F384-E394 CarbonylContact O-C 3.51Å; F384-E394 WeakPolarHBondContact O-CA 3.41Å; E394-I401 CarbonylContact O-C 3.52Å; E394-A402 HydrophobicContact CG-CB 4.28Å; E394-A402 PolarHBondContact O-N 3.3Å; E394-S403 WeakPolarHBondContact CB-OG 3.41Å; E394-S403 PolarHBondContact N-O 3.06Å; E394-S403 PolarHBondContact O-N 3.1Å; E394-S403 PolarHBondContact OE2-OG 3.15Å |
| 395 | V | 96 | Very high | 93.9 | Very high | 2 Ų | 2 | 27.2 Ų | 27.2 | 1% | 0.012 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 134 | -171.1 | -176.5 | 0 | 0 | 0 | 0 | 109.4 | W351 T383 F384 F386 F393 | W351-V395 HydrophobicContact CB-CB 4.39Å; W351-V395 HydrophobicContact CB-CG1 3.62Å; W351-V395 HydrophobicContact CB-CG2 3.81Å; W351-V395 HydrophobicContact CD2-CG2 3.78Å; W351-V395 HydrophobicContact CE3-CG2 4Å; W351-V395 HydrophobicContact CG-CB 4.45Å; W351-V395 HydrophobicContact CG-CG1 4.03Å; W351-V395 HydrophobicContact CG-CG2 3.67Å; T383-V395 WeakPolarHBondContact CA-O 3.35Å; T383-V395 WeakPolarHBondContact CB-O 3.24Å; F384-V395 PolarHBondContact N-O 3.4Å; F384-V395 PolarHBondContact O-N 3.2Å; F386-V395 HydrophobicContact CD2-CB 4.2Å; F386-V395 HydrophobicContact CD2-CG2 3.71Å; F386-V395 HydrophobicContact CE2-CB 4Å; F386-V395 HydrophobicContact CE2-CG2 3.96Å; F393-V395 HydrophobicContact CB-CG2 4.28Å |
| 396 | M | 94.8 | Very high | 93.9 | Very high | 14 Ų | 14 | 26 Ų | 26 | 7% | 0.069 | 14% | 0.138 | C | C | . | . | trans | -80.8 | 168.8 | 175.9 | -64.5 | 175.8 | 58.4 | 0 | 0 | 111.3 | P314 G315 H316 T383 N398 N399 H400 A402 | P314-M396 WeakPolarHBondContact O-CE 3.44Å; G315-M396 VanDerWaalsContact O-CE 3.32Å; G315-M396 WeakPolarHBondContact O-CE 3.29Å; H316-M396 HydrophobicContact CB-CE 4.38Å; H316-M396 HydrophobicContact CB-SD 3.96Å; T383-M396 HydrophobicContact CG2-CG 4.41Å; M396-N398 VanDerWaalsContact CB-OD1 3.24Å; M396-N398 WeakPolarHBondContact CB-OD1 3.3Å; M396-N398 PolarHBondContact O-N 3.29Å; M396-N398 VanDerWaalsContact O-N 3.17Å; M396-N399 PolarHBondContact O-N 3.28Å; M396-H400 PolarHBondContact N-O 3.43Å; M396-A402 HydrophobicContact CG-CB 3.85Å; M396-A402 HydrophobicContact SD-CB 4.2Å | ||
| 397 | Q | 91.9 | Very high | 93.8 | Very high | 121 Ų | 121 | 29 Ų | 29 | 57% | 0.565 | 15% | 0.149 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -23.7 | 179.9 | -61.9 | -179.8 | 16.9 | 0 | 0 | 113.6 | F384 N399 | F384-Q397 HydrophobicContact CE2-CG 4.41Å; Q397-N399 VanDerWaalsContact C-N 3.29Å; Q397-N399 PolarHBondContact O-N 2.93Å |
| 398 | N | 92.5 | Very high | 93 | Very high | 27 Ų | 27 | 27.5 Ų | 27.5 | 14% | 0.144 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | 16.5 | 176.5 | 65.3 | 0.8 | 0 | 0 | 0 | 113.6 | E48 M396 H400 | E48-N398 PolarHBondContact O-ND2 2.88Å; M396-N398 VanDerWaalsContact CB-OD1 3.24Å; M396-N398 WeakPolarHBondContact CB-OD1 3.3Å; M396-N398 PolarHBondContact O-N 3.29Å; M396-N398 VanDerWaalsContact O-N 3.17Å; N398-H400 PolarHBondContact O-N 3.09Å; N398-H400 VanDerWaalsContact O-N 3.13Å; N398-H400 WeakPolarHBondContact OD1-CB 3.49Å; N398-H400 PolarHBondContact OD1-N 2.78Å |
| 399 | N | 94.4 | Very high | 91.8 | Very high | 65 Ų | 65 | 28.8 Ų | 28.8 | 35% | 0.348 | 14% | 0.143 | S | C | . | . | S | Bend | trans | 63.4 | 6.3 | -177.5 | -63 | -38.6 | 0 | 0 | 0 | 116.2 | W351 D352 M396 Q397 | W351-N399 PolarHBondContact N-O 2.9Å; D352-N399 PolarHBondContact OD2-ND2 2.81Å; M396-N399 PolarHBondContact O-N 3.28Å; Q397-N399 VanDerWaalsContact C-N 3.29Å; Q397-N399 PolarHBondContact O-N 2.93Å |
| 400 | H | 95.4 | Very high | 90.2 | Very high | 5 Ų | 5 | 32.2 Ų | 32.2 | 2% | 0.023 | 17% | 0.168 | C | C | . | . | B | Isolated β-bridge | trans | -76.4 | 140.3 | 170.6 | -75.6 | -85.2 | 0 | 0 | 0 | 110.9 | Y313 M396 N398 A402 | Y313-H400 HydrophobicContact CD2-CB 3.98Å; Y313-H400 AromaticContact CE1-ND1 3.76Å; Y313-H400 HydrophobicContact CE2-CB 4.03Å; Y313-H400 AromaticContact CE2-ND1 3.92Å; Y313-H400 HydrophobicContact CG-CB 4.37Å; Y313-H400 AromaticContact CZ-ND1 3.48Å; M396-H400 PolarHBondContact N-O 3.43Å; N398-H400 PolarHBondContact O-N 3.09Å; N398-H400 VanDerWaalsContact O-N 3.13Å; N398-H400 WeakPolarHBondContact OD1-CB 3.49Å; N398-H400 PolarHBondContact OD1-N 2.78Å; H400-A402 PolarHBondContact O-N 2.9Å |
| 401 | I | 96.3 | Very high | 88.6 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 119.2 | 174.7 | -59.6 | 164 | 0 | 0 | 0 | 107.8 | T311 Y313 S349 I354 F393 E394 V404 | T311-I401 WeakPolarHBondContact CB-O 3.17Å; T311-I401 WeakPolarHBondContact CG2-O 3.46Å; T311-I401 PolarHBondContact OG1-O 3.39Å; Y313-I401 WeakPolarHBondContact CD2-O 3.48Å; S349-I401 WeakPolarHBondContact O-CD1 3.49Å; I354-I401 HydrophobicContact CD1-CD1 3.71Å; F393-I401 HydrophobicContact CD1-CD1 3.95Å; F393-I401 HydrophobicContact CD1-CG1 4.39Å; F393-I401 HydrophobicContact CD1-CG2 4.22Å; F393-I401 HydrophobicContact CE1-CD1 4.3Å; E394-I401 CarbonylContact O-C 3.52Å; I401-V404 HydrophobicContact CG2-CG2 3.66Å |
| 402 | A | 96 | Very high | 86.2 | Confident | 2 Ų | 2 | 38.4 Ų | 38.4 | 2% | 0.017 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | -40.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | T311 H316 E394 M396 H400 | T311-A402 PolarHBondContact N-O 2.9Å; T311-A402 WeakPolarHBondContact OG1-CA 3.35Å; T311-A402 PolarHBondContact OG1-O 2.78Å; H316-A402 HydrophobicContact CB-CB 4.49Å; H316-A402 WeakPolarHBondContact CD2-CB 3.07Å; H316-A402 WeakPolarHBondContact NE2-CB 3.45Å; E394-A402 HydrophobicContact CG-CB 4.28Å; E394-A402 PolarHBondContact O-N 3.3Å; M396-A402 HydrophobicContact CG-CB 3.85Å; M396-A402 HydrophobicContact SD-CB 4.2Å; H400-A402 PolarHBondContact O-N 2.9Å |
| 403 | S | 97.4 | Very high | 83.9 | Confident | 4 Ų | 4 | 41.4 Ų | 41.4 | 3% | 0.028 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 155.1 | 177 | 76.1 | 0 | 0 | 0 | 0 | 112.1 | L309 E394 | L309-S403 CarbonylContact O-C 3.56Å; L309-S403 WeakPolarHBondContact O-CA 3.46Å; L309-S403 WeakPolarHBondContact O-CB 3.42Å; E394-S403 WeakPolarHBondContact CB-OG 3.41Å; E394-S403 PolarHBondContact N-O 3.06Å; E394-S403 PolarHBondContact O-N 3.1Å; E394-S403 PolarHBondContact OE2-OG 3.15Å |
| 404 | V | 97.6 | Very high | 81.1 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 121.7 | 171.6 | -172.7 | 0 | 0 | 0 | 0 | 109 | V308 L309 F327 I329 M391 I392 F393 I401 L406 | V308-V404 WeakPolarHBondContact CA-O 3.39Å; L309-V404 PolarHBondContact N-O 2.83Å; L309-V404 PolarHBondContact O-N 2.61Å; F327-V404 HydrophobicContact CE1-CG2 3.91Å; F327-V404 HydrophobicContact CE2-CG2 4.2Å; F327-V404 HydrophobicContact CZ-CG2 3.55Å; I329-V404 HydrophobicContact CD1-CB 4.26Å; I329-V404 HydrophobicContact CD1-CG1 3.84Å; I329-V404 HydrophobicContact CD1-CG2 4.17Å; M391-V404 HydrophobicContact CB-CG1 4.22Å; I392-V404 WeakPolarHBondContact O-CA 3.42Å; F393-V404 HydrophobicContact CD1-CG1 4.26Å; F393-V404 HydrophobicContact CD1-CG2 3.68Å; F393-V404 HydrophobicContact CE1-CG1 4.04Å; F393-V404 HydrophobicContact CE1-CG2 3.76Å; F393-V404 HydrophobicContact CZ-CG1 4.18Å; I401-V404 HydrophobicContact CG2-CG2 3.66Å; V404-L406 HydrophobicContact CG1-CD2 3.91Å |
| 405 | T | 97 | Very high | 78.5 | Confident | 21 Ų | 21 | 53.6 Ų | 53.6 | 13% | 0.129 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 122.3 | 175.7 | -64.7 | 0 | 0 | 0 | 0 | 110.1 | K306 F307 V308 M391 I392 | K306-T405 HydrophobicContact CD-CG2 3.39Å; K306-T405 HydrophobicContact CG-CG2 3.57Å; F307-T405 CarbonylContact O-C 3.49Å; F307-T405 WeakPolarHBondContact O-CA 3.21Å; V308-T405 HydrophobicContact CG2-CG2 4.4Å; M391-T405 CarbonylContact C-O 3.53Å; M391-T405 WeakPolarHBondContact CA-O 3.46Å; I392-T405 PolarHBondContact N-O 3.36Å; I392-T405 PolarHBondContact O-N 2.72Å |
| 406 | L | 95.4 | Very high | 75.7 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 134.8 | 177.6 | -47 | 178.1 | 0 | 0 | 0 | 110.4 | V203 P210 L213 F241 K306 F307 L309 M391 V404 | V203-L406 HydrophobicContact CB-CD1 4.4Å; V203-L406 HydrophobicContact CG1-CD1 3.63Å; V203-L406 HydrophobicContact CG1-CD2 4.28Å; V203-L406 HydrophobicContact CG2-CD1 3.85Å; P210-L406 HydrophobicContact CB-CB 4.39Å; P210-L406 HydrophobicContact CG-CD2 4.44Å; L213-L406 HydrophobicContact CD2-CD1 3.64Å; F241-L406 HydrophobicContact CZ-CB 4.01Å; K306-L406 WeakPolarHBondContact CA-O 3.03Å; K306-L406 WeakPolarHBondContact CG-O 3.42Å; F307-L406 HydrophobicContact CB-CB 4.24Å; F307-L406 HydrophobicContact CB-CD1 4.22Å; F307-L406 HydrophobicContact CB-CG 4.4Å; F307-L406 HydrophobicContact CD2-CB 4.48Å; F307-L406 HydrophobicContact CD2-CD1 4.45Å; F307-L406 PolarHBondContact N-O 3.3Å; F307-L406 VanDerWaalsContact N-O 3.1Å; F307-L406 PolarHBondContact O-N 3.35Å; L309-L406 HydrophobicContact CD1-CD1 4.33Å; M391-L406 HydrophobicContact CB-CD2 4.14Å; M391-L406 HydrophobicContact CG-CD2 3.46Å; M391-L406 VanDerWaalsContact CG-CD2 3.46Å; M391-L406 HydrophobicContact SD-CD2 3.51Å; M391-L406 VanDerWaalsContact SD-CD2 3.51Å; V404-L406 HydrophobicContact CG1-CD2 3.91Å |
| 407 | Y | 90.3 | Very high | 73.5 | Confident | 85 Ų | 85 | 68.6 Ų | 68.6 | 33% | 0.333 | 36% | 0.364 | S | S | . | . | trans | -134.4 | 112.3 | 174.2 | 56 | -81.3 | 0 | 0 | 0 | 111.4 | R390 I392 | R390-Y407 VanDerWaalsContact C-CZ 3.45Å; R390-Y407 VanDerWaalsContact CA-CZ 3.44Å; R390-Y407 WeakPolarHBondContact CA-OH 3.43Å; R390-Y407 HydrophobicContact CB-CD2 4.34Å; R390-Y407 HydrophobicContact CB-CE2 4Å; R390-Y407 HydrophobicContact CG-CE2 4.47Å; R390-Y407 WeakPolarHBondContact O-CD1 3.3Å; R390-Y407 WeakPolarHBondContact O-CE1 3.33Å; R390-Y407 PolarHBondContact O-N 3.42Å; I392-Y407 HydrophobicContact CD1-CE1 4.16Å; I392-Y407 HydrophobicContact CG1-CE1 3.92Å | ||
| 408 | G | 74.1 | Confident | 70.8 | Confident | 16 Ų | 16 | 69.4 Ų | 69.4 | 17% | 0.165 | 38% | 0.378 | C | S | . | . | trans | -95.4 | 166.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | F241 | F241-G408 VanDerWaalsContact CE1-N 3.3Š| ||
| 409 | P | 64.6 | Low | 68.3 | Low | 50 Ų | 50 | 72 Ų | 72 | 33% | 0.325 | 40% | 0.399 | S | S | . | . | trans | -68.8 | 145.1 | 169 | 28.3 | -24.5 | 0 | 0 | 0 | 108.7 | R411 | P409-R411 PolarHBondContact O-N 3.45Š| ||
| 410 | T | 54 | Low | 65.6 | Low | 122 Ų | 122 | 77 Ų | 77 | 75% | 0.748 | 43% | 0.425 | S | S | * | . | trans | -62.7 | 109.9 | 166.3 | 42.6 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 411 | R | 54.5 | Low | 62.5 | Low | 113 Ų | 113 | 83.5 Ų | 83.5 | 43% | 0.426 | 46% | 0.459 | S | S | . | . | trans | -55.8 | 126.7 | 175.4 | -79 | -176.3 | 171.7 | 178 | -1.9 | 108.9 | P409 | P409-R411 PolarHBondContact O-N 3.45Š| ||
| 412 | P | 42.9 | Very low | 60 | Low | 99 Ų | 99 | 89.3 Ų | 89.3 | 64% | 0.643 | 50% | 0.497 | S | S | * | . | trans | -61.2 | 140.7 | 169.5 | 22.6 | -27.6 | 0 | 0 | 0 | 108.7 | S414 | P412-S414 PolarHBondContact O-N 2.96Š| ||
| 413 | S | 44.3 | Very low | 57 | Low | 116 Ų | 116 | 102 Ų | 102 | 81% | 0.811 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.3 | 6 | -171.9 | 43 | 0 | 0 | 0 | 0 | 116.1 | ||
| 414 | S | 37.4 | Very low | 55 | Low | 99 Ų | 99 | 106.9 Ų | 106.9 | 69% | 0.692 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.1 | -7 | -171.9 | 55 | 0 | 0 | 0 | 0 | 115.5 | P412 L416 | P412-S414 PolarHBondContact O-N 2.96Å; S414-L416 PolarHBondContact O-N 2.68Å |
| 415 | Q | 41.9 | Very low | 52.8 | Low | 164 Ų | 164 | 112.5 Ų | 112.5 | 77% | 0.766 | 61% | 0.613 | S | S | * | * | trans | -98.7 | 80.8 | 171.8 | -71.7 | -168.2 | -12.8 | 0 | 0 | 110.4 | ||||
| 416 | L | 37.5 | Very low | 50.3 | Low | 163 Ų | 163 | 117.6 Ų | 117.6 | 85% | 0.853 | 64% | 0.639 | S | S | * | * | trans | -57.7 | 134 | 162 | -90.8 | 139.9 | 0 | 0 | 0 | 109.2 | S414 T418 | S414-L416 PolarHBondContact O-N 2.68Å; L416-T418 PolarHBondContact O-N 2.96Å; L416-T418 VanDerWaalsContact O-N 3.16Å | ||
| 417 | R | 49.1 | Very low | 47.7 | Very low | 168 Ų | 168 | 124.5 Ų | 124.5 | 63% | 0.634 | 68% | 0.677 | S | S | * | * | trans | -52 | 116.2 | 177.8 | -66.7 | 177.5 | -178.1 | 172.1 | 0.3 | 109.5 | D243 S419 | D243-R417 IonicContact OD1-CZ 3.98Å; D243-R417 IonicContact OD1-NH2 2.83Å; D243-R417 PolarHBondContact OD1-NH2 2.88Å; D243-R417 IonicContact OD2-NH2 3.81Å; R417-S419 PolarHBondContact O-N 3.4Å | ||
| 418 | T | 34.3 | Very low | 45 | Very low | 138 Ų | 138 | 126.9 Ų | 126.9 | 85% | 0.847 | 70% | 0.699 | S | S | * | * | trans | -66.9 | 114.1 | 155.4 | 39.5 | 0 | 0 | 0 | 0 | 106.7 | L416 D420 | L416-T418 PolarHBondContact O-N 2.96Å; L416-T418 VanDerWaalsContact O-N 3.16Å; T418-D420 PolarHBondContact O-N 3.42Å | ||
| 419 | S | 39.2 | Very low | 43.1 | Very low | 83 Ų | 83 | 134.3 Ų | 134.3 | 58% | 0.58 | 73% | 0.734 | S | S | * | * | trans | -48.6 | 123.2 | -177.8 | 48.6 | 0 | 0 | 0 | 0 | 113.5 | R417 L421 | R417-S419 PolarHBondContact O-N 3.4Å; S419-L421 PolarHBondContact O-N 3.39Å | ||
| 420 | D | 38.3 | Very low | 41.5 | Very low | 170 Ų | 170 | 140.4 Ų | 140.4 | 91% | 0.909 | 76% | 0.763 | S | S | * | * | trans | -67.1 | 86.5 | 146.9 | -74.2 | -39.7 | 0 | 0 | 0 | 107.5 | T418 | T418-D420 PolarHBondContact O-N 3.42Š| ||
| 421 | L | 29.7 | Very low | 40.6 | Very low | 141 Ų | 141 | 141.8 Ų | 141.8 | 74% | 0.738 | 77% | 0.765 | S | S | * | * | trans | -87.5 | 126.6 | 160.5 | -85.8 | 158.6 | 0 | 0 | 0 | 107.1 | S419 Q423 | S419-L421 PolarHBondContact O-N 3.39Å; L421-Q423 PolarHBondContact O-N 3.16Å | ||
| 422 | P | 44.7 | Very low | 39.4 | Very low | 121 Ų | 121 | 144.2 Ų | 144.2 | 79% | 0.786 | 79% | 0.793 | S | S | * | * | trans | -67.2 | 131.7 | 172.6 | 27.5 | -30.7 | 0 | 0 | 0 | 109.4 | ||||
| 423 | Q | 33.4 | Very low | 39.1 | Very low | 268 Ų | 268 | 148.3 Ų | 148.3 | 100% | 1.252 | 81% | 0.806 | S | S | * | * | trans | -77.1 | 0 | 156.6 | -82.4 | -168.4 | -13.6 | 0 | 0 | 110.1 | L421 | L421-Q423 PolarHBondContact O-N 3.16Š|
Retrieved 423 of 423 residues in 1828 ms
(Link to these results)