| 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 | 40.8 | Very low | 79.5 | Confident | 245 Ų | 245 | 88.7 Ų | 88.7 | 100% | 1.207 | 47% | 0.469 | S | S | * | . | 0 | 96.7 | 0 | -72.7 | 167.2 | 150.3 | 0 | 0 | 106 | G3 | M1-G3 PolarHBondContact O-N 3.45Š| |||
| 2 | S | 49.2 | Very low | 81 | Confident | 122 Ų | 122 | 81.4 Ų | 81.4 | 85% | 0.853 | 43% | 0.431 | S | S | * | . | trans | -68.3 | 100 | 171 | 47 | 0 | 0 | 0 | 0 | 106.3 | E4 | S2-E4 PolarHBondContact O-N 3.48Š| ||
| 3 | G | 58.2 | Low | 82.2 | Confident | 69 Ų | 69 | 75.2 Ų | 75.2 | 71% | 0.711 | 40% | 0.397 | S | S | * | . | P | Polyproline II helix | trans | -55.7 | 129.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 107.5 | M1 E5 | M1-G3 PolarHBondContact O-N 3.45Å; G3-E5 PolarHBondContact O-N 3.44Å; G3-E5 VanDerWaalsContact O-N 3.16Å |
| 4 | E | 68.7 | Low | 83.1 | Confident | 191 Ų | 191 | 69.8 Ų | 69.8 | 89% | 0.893 | 37% | 0.369 | S | S | * | . | P | Polyproline II helix | trans | -55.1 | 124.4 | 172.7 | -76.3 | -178.7 | 151 | 0 | 0 | 108 | S2 E6 | S2-E4 PolarHBondContact O-N 3.48Å; E4-E6 PolarHBondContact O-N 3.03Å |
| 5 | E | 77.6 | Confident | 83.7 | Confident | 106 Ų | 106 | 65.2 Ų | 65.2 | 50% | 0.495 | 35% | 0.345 | S | S | . | . | P | Polyproline II helix | trans | -58.7 | 117.7 | 173 | -174.3 | -175.8 | 178.9 | 0 | 0 | 107.4 | G3 R7 R56 | G3-E5 PolarHBondContact O-N 3.44Å; G3-E5 VanDerWaalsContact O-N 3.16Å; E5-R7 PolarHBondContact O-N 2.82Å; E5-R56 HydrophobicContact CG-CB 4.33Å; E5-R56 WeakPolarHBondContact OE1-CD 3.46Å; E5-R56 IonicContact OE1-NH1 3.95Å; E5-R56 IonicContact OE2-NH1 3.37Å |
| 6 | E | 92.1 | Very high | 84.2 | Confident | 27 Ų | 27 | 63.6 Ų | 63.6 | 13% | 0.126 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 120.6 | 179.6 | -176.5 | -171.6 | -114.8 | 0 | 0 | 108.8 | E4 F8 K53 T55 R56 R169 | E4-E6 PolarHBondContact O-N 3.03Å; E6-F8 HydrophobicContact CG-CD2 4.3Å; E6-F8 HydrophobicContact CG-CE2 3.46Å; E6-F8 VanDerWaalsContact CG-CE2 3.46Å; E6-F8 HydrophobicContact CG-CZ 3.63Å; E6-K53 VanDerWaalsContact CD-NZ 3.26Å; E6-K53 WeakPolarHBondContact OE1-CD 3.47Å; E6-K53 WeakPolarHBondContact OE1-CE 3.38Å; E6-K53 IonicContact OE1-NZ 2.67Å; E6-K53 PolarHBondContact OE1-NZ 2.93Å; E6-K53 IonicContact OE2-NZ 2.63Å; E6-T55 HydrophobicContact CG-CG2 4.3Å; E6-T55 WeakPolarHBondContact OE2-CB 3.49Å; E6-T55 WeakPolarHBondContact OE2-CG2 3.4Å; E6-T55 PolarHBondContact OE2-OG1 3.24Å; E6-R56 PolarHBondContact O-N 2.85Å; E6-R169 IonicContact OE1-CZ 3.67Å; E6-R169 IonicContact OE1-NE 2.88Å; E6-R169 PolarHBondContact OE1-NE 2.86Å; E6-R169 VanDerWaalsContact OE1-NE 3.1Å; E6-R169 IonicContact OE1-NH2 3.72Å; E6-R169 IonicContact OE2-CZ 3.05Å; E6-R169 IonicContact OE2-NE 2.67Å; E6-R169 IonicContact OE2-NH2 3.95Å; E6-R169 PolarHBondContact OE2-NH2 3.33Å |
| 7 | R | 95.6 | Very high | 84.6 | Confident | 124 Ų | 124 | 61.9 Ų | 61.9 | 47% | 0.468 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 132 | -174.5 | 179.5 | -176.7 | 172.1 | -142.3 | 4.4 | 110.4 | E5 R56 D58 | E5-R7 PolarHBondContact O-N 2.82Å; R7-R56 CarbonylContact C-O 3.58Å; R7-R56 VanDerWaalsContact CA-O 3.23Å; R7-R56 WeakPolarHBondContact CA-O 3.46Å; R7-R56 HydrophobicContact CB-CB 4.42Å; R7-R56 HydrophobicContact CG-CG 4.37Å; R7-D58 IonicContact CZ-OD2 3.38Å; R7-D58 IonicContact NE-OD2 4Å; R7-D58 PolarHBondContact NE-OD2 3.32Å; R7-D58 IonicContact NH2-OD2 3.96Å; R7-D58 PolarHBondContact NH2-OD2 3.14Å |
| 8 | F | 97.8 | Very high | 85.2 | Confident | 4 Ų | 4 | 58.6 Ų | 58.6 | 2% | 0.018 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 139.5 | 174.5 | -60.9 | -69.5 | 0 | 0 | 0 | 111.8 | E6 L10 T55 R56 L57 D58 V165 I168 R169 | E6-F8 HydrophobicContact CG-CD2 4.3Å; E6-F8 HydrophobicContact CG-CE2 3.46Å; E6-F8 VanDerWaalsContact CG-CE2 3.46Å; E6-F8 HydrophobicContact CG-CZ 3.63Å; F8-L10 HydrophobicContact CB-CD2 4.11Å; F8-T55 HydrophobicContact CD2-CG2 3.43Å; F8-T55 VanDerWaalsContact CD2-CG2 3.43Å; F8-T55 HydrophobicContact CE2-CG2 3.59Å; F8-R56 PolarHBondContact N-O 3.35Å; F8-L57 HydrophobicContact CB-CD2 4.19Å; F8-L57 HydrophobicContact CD2-CD2 4.16Å; F8-D58 PolarHBondContact O-N 3.46Å; F8-V165 HydrophobicContact CD2-CG1 3.8Å; F8-V165 HydrophobicContact CD2-CG2 4.26Å; F8-V165 HydrophobicContact CE2-CG1 3.59Å; F8-V165 HydrophobicContact CZ-CG1 4.44Å; F8-I168 HydrophobicContact CB-CD1 4.43Å; F8-I168 HydrophobicContact CD1-CB 4.35Å; F8-I168 HydrophobicContact CD1-CD1 4.49Å; F8-I168 HydrophobicContact CD1-CG2 3.57Å; F8-I168 HydrophobicContact CE1-CB 4.42Å; F8-I168 HydrophobicContact CE1-CG2 3.64Å; F8-R169 HydrophobicContact CE2-CG 4.34Å; F8-R169 HydrophobicContact CZ-CG 3.71Å |
| 9 | K | 98.1 | Very high | 85.7 | Confident | 83 Ų | 83 | 56.2 Ų | 56.2 | 36% | 0.361 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 104.6 | 172.4 | -64.3 | 172.6 | -171.3 | 170.1 | 0 | 110.9 | D58 E80 G81 | K9-D58 CarbonylContact C-O 3.58Å; K9-D58 WeakPolarHBondContact CA-O 3.43Å; K9-E80 HydrophobicContact CB-CG 4.26Å; K9-E80 WeakPolarHBondContact CG-OE1 3.42Å; K9-E80 PolarHBondContact N-OE1 2.82Å; K9-E80 PolarHBondContact O-N 2.74Å; K9-G81 PolarHBondContact O-N 3.01Å |
| 10 | L | 98.5 | Very high | 86.2 | Confident | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.005 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 141.8 | 178 | -49.3 | -172.8 | 0 | 0 | 0 | 109.8 | F8 L57 D58 I59 L60 F161 L164 V165 I168 | F8-L10 HydrophobicContact CB-CD2 4.11Å; L10-L57 HydrophobicContact CD1-CB 4.41Å; L10-L57 HydrophobicContact CD1-CD1 4.1Å; L10-L57 HydrophobicContact CD1-CD2 4.22Å; L10-L57 HydrophobicContact CD1-CG 4.48Å; L10-D58 PolarHBondContact N-O 2.85Å; L10-I59 HydrophobicContact CB-CG1 4.44Å; L10-I59 WeakPolarHBondContact O-CA 3.44Å; L10-L60 PolarHBondContact O-N 2.9Å; L10-F161 HydrophobicContact CD1-CD1 4.03Å; L10-L164 HydrophobicContact CB-CD2 4.36Å; L10-L164 HydrophobicContact CD1-CD2 4.38Å; L10-L164 HydrophobicContact CD2-CD2 3.86Å; L10-L164 HydrophobicContact CD2-CG 4.11Å; L10-L164 HydrophobicContact CG-CD2 4.42Å; L10-V165 HydrophobicContact CD1-CG2 4.33Å; L10-I168 HydrophobicContact CD2-CD1 3.35Å |
| 11 | V | 97.8 | Very high | 86.6 | Confident | 4 Ų | 4 | 52 Ų | 52 | 2% | 0.024 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 129.3 | 175.6 | -171.8 | 0 | 0 | 0 | 0 | 109.5 | V13 L60 T62 Y75 G81 F82 L83 | V11-V13 HydrophobicContact CG1-CG1 3.77Å; V11-L60 HydrophobicContact CG1-CB 4.31Å; V11-L60 HydrophobicContact CG1-CD2 4.23Å; V11-L60 HydrophobicContact CG2-CB 4.33Å; V11-T62 HydrophobicContact CG1-CG2 3.86Å; V11-Y75 HydrophobicContact CG1-CD2 3.93Å; V11-Y75 HydrophobicContact CG1-CG 4.19Å; V11-G81 PolarHBondContact N-O 3.07Å; V11-F82 HydrophobicContact CB-CD1 3.7Å; V11-F82 HydrophobicContact CB-CE1 3.74Å; V11-F82 HydrophobicContact CG1-CD1 4.23Å; V11-F82 HydrophobicContact CG1-CE1 4.19Å; V11-F82 HydrophobicContact CG2-CD1 4.34Å; V11-F82 HydrophobicContact CG2-CE1 3.93Å; V11-F82 CarbonylContact O-C 3.55Å; V11-F82 WeakPolarHBondContact O-CA 3.25Å; V11-L83 PolarHBondContact O-N 2.68Å |
| 12 | V | 97.7 | Very high | 89.1 | Confident | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.006 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 116.5 | 176.6 | -167 | 0 | 0 | 0 | 0 | 108.5 | K20 I59 L60 T62 L83 V85 F161 | V12-K20 HydrophobicContact CG1-CB 3.71Å; V12-K20 HydrophobicContact CG1-CD 4.22Å; V12-K20 HydrophobicContact CG1-CG 3.98Å; V12-I59 HydrophobicContact CG2-CG2 3.91Å; V12-L60 PolarHBondContact N-O 2.9Å; V12-T62 PolarHBondContact O-N 3.39Å; V12-T62 PolarHBondContact O-OG1 2.99Å; V12-L83 HydrophobicContact CG1-CB 4.18Å; V12-L83 HydrophobicContact CG2-CB 4.38Å; V12-L83 HydrophobicContact CG2-CD1 4.05Å; V12-V85 HydrophobicContact CG1-CG2 3.57Å; V12-F161 HydrophobicContact CG2-CE1 4.12Å; V12-F161 HydrophobicContact CG2-CZ 4.39Å |
| 13 | V | 95.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 158.2 | -177.1 | -60.9 | 0 | 0 | 0 | 0 | 111.9 | V11 K20 T62 Y75 L83 L84 V85 F100 I104 | V11-V13 HydrophobicContact CG1-CG1 3.77Å; V13-K20 VanDerWaalsContact C-CD 3.46Å; V13-T62 HydrophobicContact CG1-CG2 4.23Å; V13-Y75 HydrophobicContact CG1-CD2 4.4Å; V13-Y75 HydrophobicContact CG1-CE2 3.85Å; V13-L83 PolarHBondContact N-O 2.99Å; V13-L84 HydrophobicContact CG2-CD2 3.39Å; V13-V85 PolarHBondContact O-N 2.98Å; V13-F100 HydrophobicContact CB-CD1 3.97Å; V13-F100 HydrophobicContact CB-CE1 4.11Å; V13-F100 HydrophobicContact CB-CG 4.3Å; V13-F100 HydrophobicContact CG1-CD1 4.47Å; V13-F100 HydrophobicContact CG1-CE1 4.49Å; V13-F100 HydrophobicContact CG2-CB 4.23Å; V13-F100 HydrophobicContact CG2-CD1 4.15Å; V13-F100 HydrophobicContact CG2-CG 4.18Å; V13-I104 HydrophobicContact CG2-CD1 4.24Å |
| 14 | G | 95.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.177 | C | C | . | . | trans | 146.1 | 171.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | K20 V85 | G14-K20 PolarHBondContact O-NZ 3.16Å; G14-V85 VanDerWaalsContact CA-O 3.31Å; G14-V85 WeakPolarHBondContact CA-O 3.24Å | ||
| 15 | G | 92.4 | Very high | 94.3 | Very high | 1 Ų | 1 | 25.2 Ų | 25.2 | 1% | 0.01 | 14% | 0.143 | C | C | . | . | trans | -60.9 | 172.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | V18 K20 G64 E96 | G15-V18 VanDerWaalsContact O-CG2 3.3Å; G15-V18 WeakPolarHBondContact O-CG2 3.28Å; G15-K20 PolarHBondContact O-NZ 3.49Å; G15-K20 VanDerWaalsContact O-NZ 3.1Å; G15-G64 CarbonylContact C-O 3.55Å; G15-E96 WeakPolarHBondContact CA-OE2 3.4Å | ||
| 16 | G | 90.8 | Very high | 95.1 | Very high | 39 Ų | 39 | 20.7 Ų | 20.7 | 40% | 0.402 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | 136.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | V18 G64 | G16-V18 PolarHBondContact O-N 3.13Å; G16-G64 PolarHBondContact N-O 3.12Å |
| 17 | G | 91.4 | Very high | 95.2 | Very high | 36 Ų | 36 | 19.4 Ų | 19.4 | 37% | 0.371 | 12% | 0.116 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 68 | 6.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | G19 K121 | G17-G19 PolarHBondContact O-N 3.2Å; G17-K121 VanDerWaalsContact O-CE 3.32Å; G17-K121 WeakPolarHBondContact O-CE 3.36Å; G17-K121 PolarHBondContact O-NZ 3.24Å |
| 18 | V | 95.9 | Very high | 95 | Very high | 1 Ų | 1 | 15.3 Ų | 15.3 | 1% | 0.006 | 10% | 0.103 | C | C | . | . | S | Bend | trans | -71 | -17.4 | 178.2 | -56.8 | 0 | 0 | 0 | 0 | 113.4 | G15 G16 K20 V85 A87 S93 N120 | G15-V18 VanDerWaalsContact O-CG2 3.3Å; G15-V18 WeakPolarHBondContact O-CG2 3.28Å; G16-V18 PolarHBondContact O-N 3.13Å; V18-K20 HydrophobicContact CG2-CD 4.34Å; V18-K20 HydrophobicContact CG2-CG 3.58Å; V18-V85 HydrophobicContact CB-CG1 4.38Å; V18-V85 HydrophobicContact CG2-CB 4.13Å; V18-V85 HydrophobicContact CG2-CG1 3.84Å; V18-A87 HydrophobicContact CB-CB 4.3Å; V18-A87 HydrophobicContact CG1-CB 4.42Å; V18-S93 VanDerWaalsContact CG1-CB 3.44Å; V18-N120 PolarHBondContact O-ND2 3.34Å |
| 19 | G | 95.3 | Very high | 94.3 | Very high | 14 Ų | 14 | 20.3 Ų | 20.3 | 14% | 0.144 | 13% | 0.126 | C | C | . | . | S | Bend | trans | 97.9 | 32.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | G17 A22 L23 N120 | G17-G19 PolarHBondContact O-N 3.2Å; G19-A22 PolarHBondContact O-N 3.4Å; G19-L23 WeakPolarHBondContact O-CG 3.34Å; G19-L23 PolarHBondContact O-N 3.14Å; G19-N120 PolarHBondContact O-ND2 3.48Å |
| 20 | K | 95.8 | Very high | 93.2 | Very high | 9 Ų | 9 | 19.5 Ų | 19.5 | 4% | 0.039 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -57.1 | -56.9 | 173.8 | -56.7 | -169 | -61 | -76.6 | 0 | 111.6 | V12 V13 G14 G15 V18 A22 L23 T24 D61 T62 G64 V85 | V12-K20 HydrophobicContact CG1-CB 3.71Å; V12-K20 HydrophobicContact CG1-CD 4.22Å; V12-K20 HydrophobicContact CG1-CG 3.98Å; V13-K20 VanDerWaalsContact C-CD 3.46Å; G14-K20 PolarHBondContact O-NZ 3.16Å; G15-K20 PolarHBondContact O-NZ 3.49Å; G15-K20 VanDerWaalsContact O-NZ 3.1Å; V18-K20 HydrophobicContact CG2-CD 4.34Å; V18-K20 HydrophobicContact CG2-CG 3.58Å; K20-A22 VanDerWaalsContact C-N 3.29Å; K20-A22 PolarHBondContact O-N 3.02Å; K20-L23 WeakPolarHBondContact O-CB 3.36Å; K20-L23 PolarHBondContact O-N 3.27Å; K20-L23 VanDerWaalsContact O-N 3.09Å; K20-T24 PolarHBondContact O-N 3.29Å; K20-T24 PolarHBondContact O-OG1 3.47Å; K20-T24 VanDerWaalsContact O-OG1 3.11Å; K20-D61 WeakPolarHBondContact CB-OD1 3.43Å; K20-T62 WeakPolarHBondContact CE-O 3.48Å; K20-T62 WeakPolarHBondContact CE-OG1 3.46Å; K20-T62 PolarHBondContact NZ-O 2.93Å; K20-G64 VanDerWaalsContact NZ-N 3.16Å; K20-V85 HydrophobicContact CG-CB 4.17Å; K20-V85 HydrophobicContact CG-CG2 4.43Å |
| 21 | S | 93.5 | Very high | 91.6 | Very high | 14 Ų | 14 | 26.3 Ų | 26.3 | 10% | 0.098 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -58.6 | -40.5 | 176.5 | -35.2 | 0 | 0 | 0 | 0 | 112.1 | L23 T24 I25 T39 D61 | S21-L23 PolarHBondContact O-N 2.98Å; S21-T24 PolarHBondContact O-N 2.97Å; S21-I25 VanDerWaalsContact O-CB 3.26Å; S21-I25 WeakPolarHBondContact O-CB 3.32Å; S21-I25 WeakPolarHBondContact O-CD1 3.48Å; S21-I25 WeakPolarHBondContact O-CG1 3.31Å; S21-I25 PolarHBondContact O-N 2.77Å; S21-T39 PolarHBondContact OG-OG1 3.13Å; S21-D61 WeakPolarHBondContact CA-OD2 3.1Å; S21-D61 WeakPolarHBondContact CB-OD2 3.37Å; S21-D61 PolarHBondContact N-OD1 2.9Å; S21-D61 PolarHBondContact OG-OD2 2.83Å |
| 22 | A | 94.3 | Very high | 89.6 | Confident | 28 Ų | 28 | 29.9 Ų | 29.9 | 23% | 0.231 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.1 | -41.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | G19 K20 Q26 F32 A151 | G19-A22 PolarHBondContact O-N 3.4Å; K20-A22 VanDerWaalsContact C-N 3.29Å; K20-A22 PolarHBondContact O-N 3.02Å; A22-Q26 WeakPolarHBondContact O-CB 3.16Å; A22-Q26 PolarHBondContact O-N 3.43Å; A22-F32 HydrophobicContact CB-CE2 4.18Å; A22-A151 HydrophobicContact CB-CB 3.71Å |
| 23 | L | 96.4 | Very high | 87.9 | Confident | 5 Ų | 5 | 33 Ų | 33 | 3% | 0.026 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64.8 | -48.4 | 173.9 | -74.5 | 170.1 | 0 | 0 | 0 | 111 | G19 K20 S21 Q26 F27 V85 I118 N120 A149 A151 V157 | G19-L23 WeakPolarHBondContact O-CG 3.34Å; G19-L23 PolarHBondContact O-N 3.14Å; K20-L23 WeakPolarHBondContact O-CB 3.36Å; K20-L23 PolarHBondContact O-N 3.27Å; K20-L23 VanDerWaalsContact O-N 3.09Å; S21-L23 PolarHBondContact O-N 2.98Å; L23-Q26 PolarHBondContact O-N 3.46Å; L23-F27 WeakPolarHBondContact O-CB 3.35Å; L23-F27 PolarHBondContact O-N 3.37Å; L23-V85 HydrophobicContact CD1-CG1 3.8Å; L23-V85 HydrophobicContact CD1-CG2 4.08Å; L23-I118 HydrophobicContact CD1-CG2 4.04Å; L23-N120 HydrophobicContact CD1-CB 4.28Å; L23-A149 HydrophobicContact CD2-CB 4.08Å; L23-A151 HydrophobicContact CD2-CB 3.91Å; L23-A151 HydrophobicContact CG-CB 4.13Å; L23-V157 HydrophobicContact CD2-CG2 3.84Å |
| 24 | T | 95.4 | Very high | 86 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.7 | -49.9 | -178.9 | -58.3 | 0 | 0 | 0 | 0 | 111.6 | K20 S21 F27 I28 Y44 I59 D61 | K20-T24 PolarHBondContact O-N 3.29Å; K20-T24 PolarHBondContact O-OG1 3.47Å; K20-T24 VanDerWaalsContact O-OG1 3.11Å; S21-T24 PolarHBondContact O-N 2.97Å; T24-F27 PolarHBondContact O-N 2.98Å; T24-I28 HydrophobicContact CG2-CD1 3.57Å; T24-I28 VanDerWaalsContact O-CD1 3.29Å; T24-I28 WeakPolarHBondContact O-CD1 3.43Å; T24-I28 VanDerWaalsContact O-CG1 3.24Å; T24-I28 WeakPolarHBondContact O-CG1 3.38Å; T24-I28 PolarHBondContact O-N 3.2Å; T24-Y44 HydrophobicContact CG2-CD2 3.51Å; T24-Y44 HydrophobicContact CG2-CE2 3.8Å; T24-Y44 HydrophobicContact CG2-CG 4.24Å; T24-I59 HydrophobicContact CG2-CG2 3.82Å; T24-D61 HydrophobicContact CG2-CB 4.38Å |
| 25 | I | 92.7 | Very high | 84.3 | Confident | 32 Ų | 32 | 43.9 Ų | 43.9 | 16% | 0.164 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.2 | -44.2 | 179 | -67.3 | 165.7 | 0 | 0 | 0 | 110.7 | S21 F27 I28 Q29 V33 | S21-I25 VanDerWaalsContact O-CB 3.26Å; S21-I25 WeakPolarHBondContact O-CB 3.32Å; S21-I25 WeakPolarHBondContact O-CD1 3.48Å; S21-I25 WeakPolarHBondContact O-CG1 3.31Å; S21-I25 PolarHBondContact O-N 2.77Å; I25-F27 VanDerWaalsContact C-N 3.29Å; I25-F27 PolarHBondContact O-N 2.98Å; I25-I28 PolarHBondContact O-N 2.63Å; I25-Q29 HydrophobicContact CG2-CG 4.45Å; I25-Q29 WeakPolarHBondContact O-CB 3.42Å; I25-Q29 PolarHBondContact O-N 3.37Å; I25-V33 HydrophobicContact CG2-CG2 4.36Å |
| 26 | Q | 94.4 | Very high | 82.5 | Confident | 12 Ų | 12 | 51 Ų | 51 | 6% | 0.056 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.1 | -41.5 | 178 | -176.6 | 71.5 | -66.4 | 0 | 0 | 111.1 | A22 L23 S30 Y31 A151 R154 V157 | A22-Q26 WeakPolarHBondContact O-CB 3.16Å; A22-Q26 PolarHBondContact O-N 3.43Å; L23-Q26 PolarHBondContact O-N 3.46Å; Q26-S30 VanDerWaalsContact O-CA 3.3Å; Q26-S30 WeakPolarHBondContact O-CA 3.29Å; Q26-S30 PolarHBondContact O-N 3.11Å; Q26-Y31 PolarHBondContact OE1-O 3.5Å; Q26-A151 WeakPolarHBondContact CG-O 3.43Å; Q26-A151 PolarHBondContact NE2-O 3.26Å; Q26-R154 HydrophobicContact CG-CB 4.16Å; Q26-R154 HydrophobicContact CG-CG 3.91Å; Q26-V157 HydrophobicContact CB-CG1 4.16Å; Q26-V157 HydrophobicContact CG-CG1 4.09Å; Q26-V157 HydrophobicContact CG-CG2 4.23Å |
| 27 | F | 95.1 | Very high | 81 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.9 | -45 | 175.3 | 177.9 | -123.1 | 0 | 0 | 0 | 112.1 | L23 T24 I25 K46 L57 I59 V157 D158 F161 | L23-F27 WeakPolarHBondContact O-CB 3.35Å; L23-F27 PolarHBondContact O-N 3.37Å; T24-F27 PolarHBondContact O-N 2.98Å; I25-F27 VanDerWaalsContact C-N 3.29Å; I25-F27 PolarHBondContact O-N 2.98Å; F27-K46 HydrophobicContact CD1-CD 3.76Å; F27-K46 HydrophobicContact CD2-CD 4.41Å; F27-K46 HydrophobicContact CE1-CD 3.32Å; F27-K46 HydrophobicContact CE2-CD 4.03Å; F27-K46 HydrophobicContact CG-CD 4.29Å; F27-K46 HydrophobicContact CZ-CD 3.48Å; F27-K46 VanDerWaalsContact CZ-CD 3.48Å; F27-K46 WeakPolarHBondContact O-CE 3.37Å; F27-K46 PolarHBondContact O-NZ 3.36Å; F27-L57 HydrophobicContact CE1-CD1 3.83Å; F27-L57 HydrophobicContact CZ-CD1 3.88Å; F27-I59 HydrophobicContact CD1-CD1 3.74Å; F27-I59 HydrophobicContact CE1-CD1 3.76Å; F27-V157 HydrophobicContact CB-CG1 3.84Å; F27-D158 HydrophobicContact CD2-CB 4.37Å; F27-D158 HydrophobicContact CE2-CB 4.4Å; F27-F161 HydrophobicContact CB-CD2 3.78Å; F27-F161 HydrophobicContact CB-CE2 3.58Å; F27-F161 HydrophobicContact CB-CZ 4.25Å; F27-F161 HydrophobicContact CD1-CB 4.15Å; F27-F161 AromaticContact CD1-CD1 3.9Å; F27-F161 HydrophobicContact CD1-CD1 3.9Å; F27-F161 AromaticContact CD1-CD2 3.64Å; F27-F161 HydrophobicContact CD1-CD2 3.64Å; F27-F161 HydrophobicContact CD1-CE1 4.19Å; F27-F161 AromaticContact CD1-CE2 3.98Å; F27-F161 HydrophobicContact CD1-CE2 3.98Å; F27-F161 AromaticContact CD1-CG 3.62Å; F27-F161 HydrophobicContact CD1-CG 3.62Å; F27-F161 HydrophobicContact CD1-CZ 4.24Å; F27-F161 HydrophobicContact CD2-CB 4.37Å; F27-F161 AromaticContact CD2-CD2 3.86Å; F27-F161 HydrophobicContact CD2-CD2 3.86Å; F27-F161 HydrophobicContact CD2-CG 4.29Å; F27-F161 HydrophobicContact CE1-CB 3.73Å; F27-F161 AromaticContact CE1-CD1 3.98Å; F27-F161 HydrophobicContact CE1-CD1 3.98Å; F27-F161 HydrophobicContact CE1-CD2 4.12Å; F27-F161 AromaticContact CE1-CG 3.68Å; F27-F161 HydrophobicContact CE1-CG 3.68Å; F27-F161 HydrophobicContact CE2-CB 3.98Å; F27-F161 HydrophobicContact CE2-CD2 4.33Å; F27-F161 HydrophobicContact CE2-CG 4.35Å; F27-F161 HydrophobicContact CG-CB 4.45Å; F27-F161 AromaticContact CG-CD2 3.48Å; F27-F161 HydrophobicContact CG-CD2 3.48Å; F27-F161 VanDerWaalsContact CG-CD2 3.48Å; F27-F161 AromaticContact CG-CE2 3.8Å; F27-F161 HydrophobicContact CG-CE2 3.8Å; F27-F161 AromaticContact CG-CG 3.93Å; F27-F161 HydrophobicContact CG-CG 3.93Å; F27-F161 HydrophobicContact CG-CZ 4.46Å; F27-F161 HydrophobicContact CZ-CB 3.63Å; F27-F161 HydrophobicContact CZ-CD2 4.44Å; F27-F161 HydrophobicContact CZ-CG 4.06Å |
| 28 | I | 90.6 | Very high | 79.6 | Confident | 38 Ų | 38 | 58 Ų | 58 | 20% | 0.195 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -73.5 | -52.7 | -175.7 | -65.2 | 156.4 | 0 | 0 | 0 | 111.6 | T24 I25 Y44 K46 | T24-I28 HydrophobicContact CG2-CD1 3.57Å; T24-I28 VanDerWaalsContact O-CD1 3.29Å; T24-I28 WeakPolarHBondContact O-CD1 3.43Å; T24-I28 VanDerWaalsContact O-CG1 3.24Å; T24-I28 WeakPolarHBondContact O-CG1 3.38Å; T24-I28 PolarHBondContact O-N 3.2Å; I25-I28 PolarHBondContact O-N 2.63Å; I28-Y44 HydrophobicContact CD1-CD1 3.61Å; I28-Y44 HydrophobicContact CD1-CD2 3.91Å; I28-Y44 HydrophobicContact CD1-CE1 4.4Å; I28-Y44 HydrophobicContact CD1-CG 3.31Å; I28-K46 PolarHBondContact O-NZ 3.48Å |
| 29 | Q | 82 | Confident | 78.1 | Confident | 109 Ų | 109 | 59 Ų | 59 | 51% | 0.509 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -99.3 | -9.5 | -165.5 | -59.5 | -177.9 | 7.6 | 0 | 0 | 113.5 | I25 Y31 | I25-Q29 HydrophobicContact CG2-CG 4.45Å; I25-Q29 WeakPolarHBondContact O-CB 3.42Å; I25-Q29 PolarHBondContact O-N 3.37Å; Q29-Y31 PolarHBondContact O-N 2.67Å |
| 30 | S | 75.6 | Confident | 76.7 | Confident | 66 Ų | 66 | 65.3 Ų | 65.3 | 46% | 0.462 | 34% | 0.344 | S | S | . | . | S | Bend | trans | 54.4 | 28.3 | -169.7 | -59 | 0 | 0 | 0 | 0 | 112.9 | Q26 R154 | Q26-S30 VanDerWaalsContact O-CA 3.3Å; Q26-S30 WeakPolarHBondContact O-CA 3.29Å; Q26-S30 PolarHBondContact O-N 3.11Å; S30-R154 PolarHBondContact OG-NH1 2.71Å; S30-R154 PolarHBondContact OG-NH2 3.46Å |
| 31 | Y | 66.3 | Low | 75.3 | Confident | 144 Ų | 144 | 69.1 Ų | 69.1 | 57% | 0.565 | 36% | 0.362 | S | S | * | . | trans | -133.8 | 138.9 | -177 | -174.7 | -101.1 | 0 | 0 | 0 | 110.2 | Q26 Q29 V33 | Q26-Y31 PolarHBondContact OE1-O 3.5Å; Q29-Y31 PolarHBondContact O-N 2.67Å; Y31-V33 HydrophobicContact CD1-CG2 3.75Å; Y31-V33 HydrophobicContact CE1-CB 4.5Å; Y31-V33 HydrophobicContact CE1-CG2 3.74Å | ||
| 32 | F | 55.4 | Low | 74.9 | Confident | 78 Ų | 78 | 71.6 Ų | 71.6 | 34% | 0.342 | 37% | 0.374 | S | S | . | . | trans | -104.6 | 118.3 | 175 | -178.3 | -97.3 | 0 | 0 | 0 | 109.8 | A22 A151 K152 | A22-F32 HydrophobicContact CB-CE2 4.18Å; F32-A151 HydrophobicContact CE2-CB 4.35Å; F32-K152 HydrophobicContact CE2-CB 4.25Å; F32-K152 HydrophobicContact CZ-CB 4.36Å | ||
| 33 | V | 60.7 | Low | 74.7 | Confident | 66 Ų | 66 | 74.8 Ų | 74.8 | 40% | 0.4 | 40% | 0.395 | S | S | . | . | trans | -90.2 | 121.3 | 173.2 | -172.5 | 0 | 0 | 0 | 0 | 108.2 | I25 Y31 D35 | I25-V33 HydrophobicContact CG2-CG2 4.36Å; Y31-V33 HydrophobicContact CD1-CG2 3.75Å; Y31-V33 HydrophobicContact CE1-CB 4.5Å; Y31-V33 HydrophobicContact CE1-CG2 3.74Å; V33-D35 HydrophobicContact CG1-CB 4.34Å; V33-D35 WeakPolarHBondContact CG1-O 3.41Å | ||
| 34 | S | 57.4 | Low | 74.5 | Confident | 95 Ų | 95 | 77 Ų | 77 | 66% | 0.664 | 40% | 0.403 | S | S | * | . | trans | -79.4 | -22.4 | 176.8 | 52.8 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 35 | D | 58.6 | Low | 74.4 | Confident | 135 Ų | 135 | 80.3 Ų | 80.3 | 72% | 0.722 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -84.7 | 120.3 | -179.5 | -60.8 | -29.4 | 0 | 0 | 0 | 109.6 | V33 | V33-D35 HydrophobicContact CG1-CB 4.34Å; V33-D35 WeakPolarHBondContact CG1-O 3.41Å |
| 36 | Y | 54.2 | Low | 74.5 | Confident | 150 Ų | 150 | 80.7 Ų | 80.7 | 59% | 0.588 | 42% | 0.424 | S | S | * | . | trans | -97.2 | 113.3 | -174.7 | -176.5 | -104.5 | 0 | 0 | 0 | 110.7 | P38 | Y36-P38 HydrophobicContact CD1-CG 4.31Å; Y36-P38 HydrophobicContact CE1-CB 4.2Å; Y36-P38 HydrophobicContact CE1-CG 3.89Å | ||
| 37 | D | 60.4 | Low | 74.5 | Confident | 139 Ų | 139 | 83.8 Ų | 83.8 | 74% | 0.743 | 44% | 0.444 | S | S | * | . | P | Polyproline II helix | trans | -99.1 | 123 | 160.7 | -164.4 | 3 | 0 | 0 | 0 | 108.1 | T39 | D37-T39 PolarHBondContact O-N 2.88Å; D37-T39 VanDerWaalsContact O-N 3.14Å |
| 38 | P | 62.5 | Low | 74.4 | Confident | 83 Ų | 83 | 84.6 Ų | 84.6 | 54% | 0.539 | 45% | 0.449 | S | S | . | . | P | Polyproline II helix | trans | -56.4 | 116.7 | 177.1 | -24.5 | 33.1 | 0 | 0 | 0 | 112.4 | Y36 | Y36-P38 HydrophobicContact CD1-CG 4.31Å; Y36-P38 HydrophobicContact CE1-CB 4.2Å; Y36-P38 HydrophobicContact CE1-CG 3.89Å |
| 39 | T | 62.5 | Low | 74.5 | Confident | 21 Ų | 21 | 86.9 Ų | 86.9 | 13% | 0.129 | 47% | 0.465 | C | S | . | . | P | Polyproline II helix | trans | -63.4 | 137.1 | 176.2 | -57.9 | 0 | 0 | 0 | 0 | 112 | S21 D37 D42 A63 | S21-T39 PolarHBondContact OG-OG1 3.13Å; D37-T39 PolarHBondContact O-N 2.88Å; D37-T39 VanDerWaalsContact O-N 3.14Å; T39-D42 HydrophobicContact CG2-CB 4.45Å; T39-A63 WeakPolarHBondContact O-CB 3.24Å |
| 40 | I | 66.7 | Low | 75.1 | Confident | 148 Ų | 148 | 81.9 Ų | 81.9 | 76% | 0.759 | 44% | 0.442 | S | S | * | . | S | Bend | trans | -92.8 | -60.8 | 170.2 | -61 | 175.6 | 0 | 0 | 0 | 109.3 | A63 | I40-A63 WeakPolarHBondContact O-CB 3.25Å; I40-A63 PolarHBondContact O-N 3.43Å |
| 41 | E | 66.6 | Low | 75.9 | Confident | 88 Ų | 88 | 84 Ų | 84 | 41% | 0.411 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.4 | 124.5 | 167.4 | -177.2 | 178.4 | 91.7 | 0 | 0 | 105.9 | L60 D61 | E41-L60 HydrophobicContact CG-CD1 3.53Å; E41-L60 HydrophobicContact CG-CG 4.21Å; E41-D61 WeakPolarHBondContact CA-O 3.44Å |
| 42 | D | 84.9 | Confident | 77.1 | Confident | 67 Ų | 67 | 80.6 Ų | 80.6 | 36% | 0.358 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 134.5 | -179.4 | -74.9 | -53.7 | 0 | 0 | 0 | 110.8 | T39 Y44 D61 | T39-D42 HydrophobicContact CG2-CB 4.45Å; D42-Y44 HydrophobicContact CB-CD2 4.32Å; D42-Y44 HydrophobicContact CB-CE2 3.47Å; D42-Y44 VanDerWaalsContact CB-CE2 3.47Å; D42-D61 HydrophobicContact CB-CB 4.47Å; D42-D61 PolarHBondContact N-O 3.14Å; D42-D61 PolarHBondContact O-N 2.85Å |
| 43 | S | 89 | Confident | 78.9 | Confident | 95 Ų | 95 | 81.8 Ų | 81.8 | 66% | 0.664 | 46% | 0.462 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 126.8 | 178.1 | -169.2 | 0 | 0 | 0 | 0 | 110 | ||
| 44 | Y | 92.8 | Very high | 80.6 | Confident | 50 Ų | 50 | 85 Ų | 85 | 20% | 0.196 | 47% | 0.473 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 149 | -179.5 | -58.1 | -84.4 | 0 | 0 | 0 | 111.1 | T24 I28 D42 D58 I59 D61 | T24-Y44 HydrophobicContact CG2-CD2 3.51Å; T24-Y44 HydrophobicContact CG2-CE2 3.8Å; T24-Y44 HydrophobicContact CG2-CG 4.24Å; I28-Y44 HydrophobicContact CD1-CD1 3.61Å; I28-Y44 HydrophobicContact CD1-CD2 3.91Å; I28-Y44 HydrophobicContact CD1-CE1 4.4Å; I28-Y44 HydrophobicContact CD1-CG 3.31Å; D42-Y44 HydrophobicContact CB-CD2 4.32Å; D42-Y44 HydrophobicContact CB-CE2 3.47Å; D42-Y44 VanDerWaalsContact CB-CE2 3.47Å; Y44-D58 CarbonylContact O-C 3.57Å; Y44-D58 WeakPolarHBondContact O-CA 2.96Å; Y44-I59 PolarHBondContact N-O 3.36Å; Y44-I59 PolarHBondContact O-N 2.89Å; Y44-D61 HydrophobicContact CD2-CB 4.45Å; Y44-D61 HydrophobicContact CE2-CB 4Å |
| 45 | T | 94.4 | Very high | 82.4 | Confident | 70 Ų | 70 | 80.4 Ų | 80.4 | 43% | 0.429 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 133.4 | 170 | -64.5 | 0 | 0 | 0 | 0 | 109.8 | R56 L57 D58 | T45-R56 HydrophobicContact CG2-CG 3.88Å; T45-L57 CarbonylContact C-O 3.6Å; T45-L57 VanDerWaalsContact CA-O 3.29Å; T45-L57 WeakPolarHBondContact CA-O 3.22Å; T45-D58 PolarHBondContact OG1-OD1 2.83Å |
| 46 | K | 93.7 | Very high | 84.2 | Confident | 40 Ų | 40 | 77.9 Ų | 77.9 | 17% | 0.174 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 131.6 | 171.3 | -169.9 | -169.3 | 177.2 | 80.7 | 0 | 109.7 | F27 I28 L57 | F27-K46 HydrophobicContact CD1-CD 3.76Å; F27-K46 HydrophobicContact CD2-CD 4.41Å; F27-K46 HydrophobicContact CE1-CD 3.32Å; F27-K46 HydrophobicContact CE2-CD 4.03Å; F27-K46 HydrophobicContact CG-CD 4.29Å; F27-K46 HydrophobicContact CZ-CD 3.48Å; F27-K46 VanDerWaalsContact CZ-CD 3.48Å; F27-K46 WeakPolarHBondContact O-CE 3.37Å; F27-K46 PolarHBondContact O-NZ 3.36Å; I28-K46 PolarHBondContact O-NZ 3.48Å; K46-L57 PolarHBondContact N-O 2.92Å; K46-L57 PolarHBondContact O-N 3.05Å |
| 47 | V | 94.6 | Very high | 86.3 | Confident | 77 Ų | 77 | 70.7 Ų | 70.7 | 47% | 0.467 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 127.3 | 166.5 | -178.7 | 0 | 0 | 0 | 0 | 107.9 | E54 T55 R56 | V47-E54 HydrophobicContact CG1-CG 3.53Å; V47-T55 WeakPolarHBondContact CA-O 3.2Å; V47-R56 HydrophobicContact CG2-CB 4.39Å; V47-R56 HydrophobicContact CG2-CG 4.44Å |
| 48 | C | 93.3 | Very high | 88.1 | Confident | 17 Ų | 17 | 65 Ų | 65 | 12% | 0.115 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 164 | 178.3 | 58.5 | 0 | 0 | 0 | 0 | 111.1 | T55 | C48-T55 PolarHBondContact N-O 3.05Å; C48-T55 PolarHBondContact O-N 3.25Å; C48-T55 VanDerWaalsContact O-O 3.08Å |
| 49 | T | 93.8 | Very high | 89.7 | Confident | 87 Ų | 87 | 61 Ų | 61 | 53% | 0.534 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 121.8 | 174.7 | -52.7 | 0 | 0 | 0 | 0 | 110.3 | K53 | T49-K53 CarbonylContact C-O 3.58Å; T49-K53 VanDerWaalsContact CA-O 3.3Å; T49-K53 WeakPolarHBondContact CA-O 3.27Å |
| 50 | V | 94.4 | Very high | 91.3 | Very high | 3 Ų | 3 | 61.5 Ų | 61.5 | 2% | 0.018 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 118.6 | 173 | -171.4 | 0 | 0 | 0 | 0 | 108.7 | G52 K53 M162 V165 Q166 R169 | V50-G52 VanDerWaalsContact C-N 3.3Å; V50-G52 PolarHBondContact O-N 2.91Å; V50-K53 PolarHBondContact N-O 2.97Å; V50-K53 PolarHBondContact O-N 3.34Å; V50-M162 HydrophobicContact CG1-CB 4.46Å; V50-M162 HydrophobicContact CG2-CG 4.3Å; V50-V165 HydrophobicContact CB-CG1 4.17Å; V50-V165 HydrophobicContact CG1-CB 4.26Å; V50-V165 HydrophobicContact CG1-CG1 3.9Å; V50-V165 HydrophobicContact CG2-CG1 4.21Å; V50-Q166 HydrophobicContact CG1-CG 4.22Å; V50-R169 PolarHBondContact O-NH1 3.11Å; V50-R169 PolarHBondContact O-NH2 2.6Å |
| 51 | D | 92.6 | Very high | 92.5 | Very high | 110 Ų | 110 | 54.5 Ų | 54.5 | 59% | 0.588 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.6 | 40.8 | -174.2 | -51.6 | -39.7 | 0 | 0 | 0 | 114 | K53 Q166 R169 | D51-K53 PolarHBondContact O-N 3.21Å; D51-Q166 PolarHBondContact OD1-NE2 3.31Å; D51-Q166 WeakPolarHBondContact OD2-CG 3.3Å; D51-Q166 PolarHBondContact OD2-NE2 3.47Å; D51-R169 IonicContact OD2-NH1 2.96Å; D51-R169 PolarHBondContact OD2-NH1 3.13Å |
| 52 | G | 91.5 | Very high | 93.7 | Very high | 74 Ų | 74 | 50.3 Ų | 50.3 | 76% | 0.763 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.8 | 0.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | V50 | V50-G52 VanDerWaalsContact C-N 3.3Å; V50-G52 PolarHBondContact O-N 2.91Å |
| 53 | K | 92.7 | Very high | 93.5 | Very high | 103 Ų | 103 | 47.7 Ų | 47.7 | 45% | 0.448 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 132.5 | 175.4 | -171.1 | 175.5 | 177.5 | -168.6 | 0 | 110.3 | E6 T49 V50 D51 T55 | E6-K53 VanDerWaalsContact CD-NZ 3.26Å; E6-K53 WeakPolarHBondContact OE1-CD 3.47Å; E6-K53 WeakPolarHBondContact OE1-CE 3.38Å; E6-K53 IonicContact OE1-NZ 2.67Å; E6-K53 PolarHBondContact OE1-NZ 2.93Å; E6-K53 IonicContact OE2-NZ 2.63Å; T49-K53 CarbonylContact C-O 3.58Å; T49-K53 VanDerWaalsContact CA-O 3.3Å; T49-K53 WeakPolarHBondContact CA-O 3.27Å; V50-K53 PolarHBondContact N-O 2.97Å; V50-K53 PolarHBondContact O-N 3.34Å; D51-K53 PolarHBondContact O-N 3.21Å; K53-T55 PolarHBondContact O-N 3.26Å; K53-T55 PolarHBondContact O-OG1 3.1Å |
| 54 | E | 95.1 | Very high | 92.3 | Very high | 132 Ų | 132 | 44.1 Ų | 44.1 | 62% | 0.617 | 25% | 0.249 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 126.4 | 170.3 | -173.5 | 175.6 | 89.9 | 0 | 0 | 109.4 | V47 | V47-E54 HydrophobicContact CG1-CG 3.53Å |
| 55 | T | 96.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 129.4 | -171.9 | -54.1 | 0 | 0 | 0 | 0 | 109.2 | E6 F8 V47 C48 K53 L57 V165 R169 | E6-T55 HydrophobicContact CG-CG2 4.3Å; E6-T55 WeakPolarHBondContact OE2-CB 3.49Å; E6-T55 WeakPolarHBondContact OE2-CG2 3.4Å; E6-T55 PolarHBondContact OE2-OG1 3.24Å; F8-T55 HydrophobicContact CD2-CG2 3.43Å; F8-T55 VanDerWaalsContact CD2-CG2 3.43Å; F8-T55 HydrophobicContact CE2-CG2 3.59Å; V47-T55 WeakPolarHBondContact CA-O 3.2Å; C48-T55 PolarHBondContact N-O 3.05Å; C48-T55 PolarHBondContact O-N 3.25Å; C48-T55 VanDerWaalsContact O-O 3.08Å; K53-T55 PolarHBondContact O-N 3.26Å; K53-T55 PolarHBondContact O-OG1 3.1Å; T55-L57 HydrophobicContact CG2-CD2 3.69Å; T55-V165 HydrophobicContact CG2-CG1 4.34Å; T55-R169 PolarHBondContact OG1-NH2 3.41Å |
| 56 | R | 96.8 | Very high | 89.2 | Confident | 81 Ų | 81 | 54.5 Ų | 54.5 | 31% | 0.306 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 126.2 | 171.1 | 178.9 | 173.2 | 173.6 | 159.8 | 6.6 | 110.4 | E5 E6 R7 F8 T45 V47 D58 | E5-R56 HydrophobicContact CG-CB 4.33Å; E5-R56 WeakPolarHBondContact OE1-CD 3.46Å; E5-R56 IonicContact OE1-NH1 3.95Å; E5-R56 IonicContact OE2-NH1 3.37Å; E6-R56 PolarHBondContact O-N 2.85Å; R7-R56 CarbonylContact C-O 3.58Å; R7-R56 VanDerWaalsContact CA-O 3.23Å; R7-R56 WeakPolarHBondContact CA-O 3.46Å; R7-R56 HydrophobicContact CB-CB 4.42Å; R7-R56 HydrophobicContact CG-CG 4.37Å; F8-R56 PolarHBondContact N-O 3.35Å; T45-R56 HydrophobicContact CG2-CG 3.88Å; V47-R56 HydrophobicContact CG2-CB 4.39Å; V47-R56 HydrophobicContact CG2-CG 4.44Å; R56-D58 IonicContact NE-OD1 3.44Å; R56-D58 PolarHBondContact NE-OD1 3.32Å |
| 57 | L | 97.9 | Very high | 87.5 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 122.1 | 176 | -51.9 | -177.9 | 0 | 0 | 0 | 108.6 | F8 L10 F27 T45 K46 T55 I59 V165 | F8-L57 HydrophobicContact CB-CD2 4.19Å; F8-L57 HydrophobicContact CD2-CD2 4.16Å; L10-L57 HydrophobicContact CD1-CB 4.41Å; L10-L57 HydrophobicContact CD1-CD1 4.1Å; L10-L57 HydrophobicContact CD1-CD2 4.22Å; L10-L57 HydrophobicContact CD1-CG 4.48Å; F27-L57 HydrophobicContact CE1-CD1 3.83Å; F27-L57 HydrophobicContact CZ-CD1 3.88Å; T45-L57 CarbonylContact C-O 3.6Å; T45-L57 VanDerWaalsContact CA-O 3.29Å; T45-L57 WeakPolarHBondContact CA-O 3.22Å; K46-L57 PolarHBondContact N-O 2.92Å; K46-L57 PolarHBondContact O-N 3.05Å; T55-L57 HydrophobicContact CG2-CD2 3.69Å; L57-I59 HydrophobicContact CB-CD1 4.33Å; L57-I59 HydrophobicContact CB-CG1 4.08Å; L57-V165 HydrophobicContact CD1-CG2 4.26Å; L57-V165 HydrophobicContact CD2-CG2 3.43Å; L57-V165 VanDerWaalsContact CD2-CG2 3.43Å |
| 58 | D | 97.3 | Very high | 85.9 | Confident | 19 Ų | 19 | 58 Ų | 58 | 10% | 0.102 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 111.5 | 165.8 | -71.4 | -11.4 | 0 | 0 | 0 | 107.9 | R7 F8 K9 L10 Y44 T45 R56 | R7-D58 IonicContact CZ-OD2 3.38Å; R7-D58 IonicContact NE-OD2 4Å; R7-D58 PolarHBondContact NE-OD2 3.32Å; R7-D58 IonicContact NH2-OD2 3.96Å; R7-D58 PolarHBondContact NH2-OD2 3.14Å; F8-D58 PolarHBondContact O-N 3.46Å; K9-D58 CarbonylContact C-O 3.58Å; K9-D58 WeakPolarHBondContact CA-O 3.43Å; L10-D58 PolarHBondContact N-O 2.85Å; Y44-D58 CarbonylContact O-C 3.57Å; Y44-D58 WeakPolarHBondContact O-CA 2.96Å; T45-D58 PolarHBondContact OG1-OD1 2.83Å; R56-D58 IonicContact NE-OD1 3.44Å; R56-D58 PolarHBondContact NE-OD1 3.32Å |
| 59 | I | 97.6 | Very high | 84.7 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 120.8 | -170.1 | -53.6 | 170.6 | 0 | 0 | 0 | 107.9 | L10 V12 T24 F27 Y44 L57 F161 | L10-I59 HydrophobicContact CB-CG1 4.44Å; L10-I59 WeakPolarHBondContact O-CA 3.44Å; V12-I59 HydrophobicContact CG2-CG2 3.91Å; T24-I59 HydrophobicContact CG2-CG2 3.82Å; F27-I59 HydrophobicContact CD1-CD1 3.74Å; F27-I59 HydrophobicContact CE1-CD1 3.76Å; Y44-I59 PolarHBondContact N-O 3.36Å; Y44-I59 PolarHBondContact O-N 2.89Å; L57-I59 HydrophobicContact CB-CD1 4.33Å; L57-I59 HydrophobicContact CB-CG1 4.08Å; I59-F161 HydrophobicContact CD1-CD1 4.06Å; I59-F161 HydrophobicContact CD1-CE1 3.98Å; I59-F161 HydrophobicContact CG2-CE1 4Å |
| 60 | L | 95.4 | Very high | 83.5 | Confident | 31 Ų | 31 | 59 Ų | 59 | 16% | 0.162 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 113.3 | 170.4 | -170.7 | 67.6 | 0 | 0 | 0 | 109.5 | L10 V11 V12 E41 T62 Y75 | L10-L60 PolarHBondContact O-N 2.9Å; V11-L60 HydrophobicContact CG1-CB 4.31Å; V11-L60 HydrophobicContact CG1-CD2 4.23Å; V11-L60 HydrophobicContact CG2-CB 4.33Å; V12-L60 PolarHBondContact N-O 2.9Å; E41-L60 HydrophobicContact CG-CD1 3.53Å; E41-L60 HydrophobicContact CG-CG 4.21Å; L60-T62 HydrophobicContact CD2-CG2 4.37Å; L60-T62 HydrophobicContact CG-CG2 4.35Å; L60-Y75 VanDerWaalsContact CD2-CB 3.45Å; L60-Y75 HydrophobicContact CD2-CD1 4.3Å; L60-Y75 HydrophobicContact CD2-CG 4.19Å |
| 61 | D | 92.6 | Very high | 82.6 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 119.5 | 168.5 | -174.7 | 39.8 | 0 | 0 | 0 | 109.4 | K20 S21 T24 E41 D42 Y44 | K20-D61 WeakPolarHBondContact CB-OD1 3.43Å; S21-D61 WeakPolarHBondContact CA-OD2 3.1Å; S21-D61 WeakPolarHBondContact CB-OD2 3.37Å; S21-D61 PolarHBondContact N-OD1 2.9Å; S21-D61 PolarHBondContact OG-OD2 2.83Å; T24-D61 HydrophobicContact CG2-CB 4.38Å; E41-D61 WeakPolarHBondContact CA-O 3.44Å; D42-D61 HydrophobicContact CB-CB 4.47Å; D42-D61 PolarHBondContact N-O 3.14Å; D42-D61 PolarHBondContact O-N 2.85Å; Y44-D61 HydrophobicContact CD2-CB 4.45Å; Y44-D61 HydrophobicContact CE2-CB 4Å |
| 62 | T | 90.6 | Very high | 82.1 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 155.1 | -173.8 | 60.7 | 0 | 0 | 0 | 0 | 111.7 | V11 V12 V13 K20 L60 E67 Y75 | V11-T62 HydrophobicContact CG1-CG2 3.86Å; V12-T62 PolarHBondContact O-N 3.39Å; V12-T62 PolarHBondContact O-OG1 2.99Å; V13-T62 HydrophobicContact CG1-CG2 4.23Å; K20-T62 WeakPolarHBondContact CE-O 3.48Å; K20-T62 WeakPolarHBondContact CE-OG1 3.46Å; K20-T62 PolarHBondContact NZ-O 2.93Å; L60-T62 HydrophobicContact CD2-CG2 4.37Å; L60-T62 HydrophobicContact CG-CG2 4.35Å; T62-E67 WeakPolarHBondContact CB-OE1 3.34Å; T62-Y75 HydrophobicContact CG2-CD1 4.04Å; T62-Y75 HydrophobicContact CG2-CE1 3.85Å; T62-Y75 HydrophobicContact CG2-CG 4.44Å |
| 63 | A | 81.6 | Confident | 82 | Confident | 12 Ų | 12 | 61 Ų | 61 | 10% | 0.099 | 31% | 0.312 | C | S | . | . | P | Polyproline II helix | trans | -64.4 | 145.4 | 166.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | T39 I40 Q65 E67 | T39-A63 WeakPolarHBondContact O-CB 3.24Å; I40-A63 WeakPolarHBondContact O-CB 3.25Å; I40-A63 PolarHBondContact O-N 3.43Å; A63-Q65 VanDerWaalsContact C-N 3.26Å; A63-Q65 PolarHBondContact O-N 3.49Å; A63-E67 WeakPolarHBondContact CA-OE1 3.28Å; A63-E67 HydrophobicContact CB-CG 4.21Å; A63-E67 WeakPolarHBondContact CB-OE1 3.46Å; A63-E67 PolarHBondContact N-OE1 2.69Å |
| 64 | G | 63 | Low | 81.9 | Confident | 20 Ų | 20 | 62.7 Ų | 62.7 | 21% | 0.206 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -83.2 | 1.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | G15 G16 K20 | G15-G64 CarbonylContact C-O 3.55Å; G16-G64 PolarHBondContact N-O 3.12Å; K20-G64 VanDerWaalsContact NZ-N 3.16Å |
| 65 | Q | 63.3 | Low | 81.7 | Confident | 161 Ų | 161 | 56.6 Ų | 56.6 | 75% | 0.752 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -104 | 163.8 | 174.8 | -76.3 | -170 | -12 | 0 | 0 | 110.7 | A63 E67 | A63-Q65 VanDerWaalsContact C-N 3.26Å; A63-Q65 PolarHBondContact O-N 3.49Å; Q65-E67 VanDerWaalsContact C-N 3.26Å; Q65-E67 PolarHBondContact O-N 3.18Å |
| 66 | E | 59.9 | Low | 81.7 | Confident | 178 Ų | 178 | 56.7 Ų | 56.7 | 83% | 0.832 | 29% | 0.293 | S | S | * | . | trans | -58.7 | 82.2 | -176.8 | -61.2 | -173.3 | 160.8 | 0 | 0 | 112.4 | F68 | E66-F68 PolarHBondContact O-N 3.35Š| ||
| 67 | E | 56.7 | Low | 81.6 | Confident | 18 Ų | 18 | 60.2 Ų | 60.2 | 8% | 0.084 | 31% | 0.307 | C | S | . | . | trans | -51.6 | 132 | 161.5 | -65.3 | 143 | 165.5 | 0 | 0 | 107.9 | T62 A63 Q65 G69 M71 Y75 | T62-E67 WeakPolarHBondContact CB-OE1 3.34Å; A63-E67 WeakPolarHBondContact CA-OE1 3.28Å; A63-E67 HydrophobicContact CB-CG 4.21Å; A63-E67 WeakPolarHBondContact CB-OE1 3.46Å; A63-E67 PolarHBondContact N-OE1 2.69Å; Q65-E67 VanDerWaalsContact C-N 3.26Å; Q65-E67 PolarHBondContact O-N 3.18Å; E67-G69 PolarHBondContact O-N 3.02Å; E67-M71 HydrophobicContact CB-CB 4.46Å; E67-M71 HydrophobicContact CB-CE 4.11Å; E67-Y75 WeakPolarHBondContact OE2-CE1 3.25Å; E67-Y75 PolarHBondContact OE2-OH 3.14Å | ||
| 68 | F | 62.5 | Low | 81.5 | Confident | 171 Ų | 171 | 63.1 Ų | 63.1 | 75% | 0.75 | 33% | 0.326 | S | S | * | . | trans | -44.5 | 132.2 | 174.2 | -70.1 | -88.4 | 0 | 0 | 0 | 109.7 | E66 A70 M71 R72 | E66-F68 PolarHBondContact O-N 3.35Å; F68-A70 PolarHBondContact O-N 2.85Å; F68-M71 HydrophobicContact CB-CE 4.24Å; F68-M71 HydrophobicContact CD2-CE 4.04Å; F68-M71 PolarHBondContact O-N 2.87Å; F68-R72 PolarHBondContact O-N 2.8Å | ||
| 69 | G | 66.4 | Low | 81.5 | Confident | 47 Ų | 47 | 62.2 Ų | 62.2 | 49% | 0.485 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -48.9 | -30.7 | -167.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | E67 R72 E73 | E67-G69 PolarHBondContact O-N 3.02Å; G69-R72 PolarHBondContact O-N 3Å; G69-E73 WeakPolarHBondContact O-CG 3.3Å; G69-E73 PolarHBondContact O-N 2.91Å |
| 70 | A | 68.9 | Low | 81.6 | Confident | 78 Ų | 78 | 64.6 Ų | 64.6 | 65% | 0.645 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -63.7 | -41.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | F68 Q74 | F68-A70 PolarHBondContact O-N 2.85Å; A70-Q74 PolarHBondContact O-N 3.43Å |
| 71 | M | 75.3 | Confident | 81.7 | Confident | 90 Ų | 90 | 63.1 Ų | 63.1 | 44% | 0.443 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -68.5 | -41 | 177.4 | -64.5 | -170.9 | -60.6 | 0 | 0 | 110.4 | E67 F68 E73 Q74 Y75 | E67-M71 HydrophobicContact CB-CB 4.46Å; E67-M71 HydrophobicContact CB-CE 4.11Å; F68-M71 HydrophobicContact CB-CE 4.24Å; F68-M71 HydrophobicContact CD2-CE 4.04Å; F68-M71 PolarHBondContact O-N 2.87Å; M71-E73 PolarHBondContact O-N 3.44Å; M71-Q74 WeakPolarHBondContact O-CB 3.46Å; M71-Q74 PolarHBondContact O-N 3.34Å; M71-Q74 VanDerWaalsContact O-N 3.13Å; M71-Y75 WeakPolarHBondContact O-CD1 3.34Å; M71-Y75 PolarHBondContact O-N 3.27Å |
| 72 | R | 83.7 | Confident | 82 | Confident | 42 Ų | 42 | 63.1 Ų | 63.1 | 16% | 0.158 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -58.3 | -48.1 | 175.1 | 178 | 167.3 | -63.4 | 165.2 | 2.3 | 112.8 | F68 G69 Q74 Y75 M76 | F68-R72 PolarHBondContact O-N 2.8Å; G69-R72 PolarHBondContact O-N 3Å; R72-Q74 VanDerWaalsContact C-N 3.26Å; R72-Q74 PolarHBondContact O-N 3.19Å; R72-Y75 VanDerWaalsContact CA-CE1 3.45Å; R72-Y75 HydrophobicContact CB-CE1 4.23Å; R72-Y75 HydrophobicContact CG-CE2 4.09Å; R72-Y75 WeakPolarHBondContact CG-OH 3.5Å; R72-Y75 PolarHBondContact NE-OH 3.39Å; R72-Y75 WeakPolarHBondContact O-CD2 3.44Å; R72-Y75 WeakPolarHBondContact O-CE2 3.39Å; R72-M76 HydrophobicContact CG-CE 3.49Å; R72-M76 VanDerWaalsContact CG-CE 3.49Å; R72-M76 HydrophobicContact CG-SD 3.9Å; R72-M76 WeakPolarHBondContact O-CB 3.3Å; R72-M76 VanDerWaalsContact O-CG 3.25Å; R72-M76 WeakPolarHBondContact O-CG 3.38Å; R72-M76 PolarHBondContact O-N 2.9Å; R72-M76 VanDerWaalsContact O-N 3.16Å |
| 73 | E | 88.3 | Confident | 82.4 | Confident | 99 Ų | 99 | 63.3 Ų | 63.3 | 46% | 0.463 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.3 | -33.8 | 176.7 | -76.2 | -176.5 | -160 | 0 | 0 | 112.7 | G69 M71 M76 R77 V107 | G69-E73 WeakPolarHBondContact O-CG 3.3Å; G69-E73 PolarHBondContact O-N 2.91Å; M71-E73 PolarHBondContact O-N 3.44Å; E73-M76 PolarHBondContact O-N 3.43Å; E73-R77 VanDerWaalsContact O-CB 3.24Å; E73-R77 WeakPolarHBondContact O-CB 3.47Å; E73-R77 PolarHBondContact O-N 3.45Å; E73-R77 IonicContact OE2-NH2 3.55Å; E73-V107 HydrophobicContact CG-CG2 4.31Å |
| 74 | Q | 90.6 | Very high | 83.2 | Confident | 137 Ų | 137 | 62.8 Ų | 62.8 | 64% | 0.64 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -64.5 | -49.6 | -178.7 | -176.7 | 179.9 | -53.9 | 0 | 0 | 112.3 | A70 M71 R72 R77 S78 | A70-Q74 PolarHBondContact O-N 3.43Å; M71-Q74 WeakPolarHBondContact O-CB 3.46Å; M71-Q74 PolarHBondContact O-N 3.34Å; M71-Q74 VanDerWaalsContact O-N 3.13Å; R72-Q74 VanDerWaalsContact C-N 3.26Å; R72-Q74 PolarHBondContact O-N 3.19Å; Q74-R77 PolarHBondContact O-N 3.45Å; Q74-S78 WeakPolarHBondContact O-CB 3.38Å; Q74-S78 PolarHBondContact O-N 3.05Å; Q74-S78 PolarHBondContact O-OG 3.18Å |
| 75 | Y | 91.7 | Very high | 84.9 | Confident | 4 Ų | 4 | 61.8 Ų | 61.8 | 2% | 0.016 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -70.8 | -33.7 | 177.8 | 61.4 | -118 | 0 | 0 | 0 | 112.2 | V11 V13 L60 T62 E67 M71 R72 R77 S78 G79 | V11-Y75 HydrophobicContact CG1-CD2 3.93Å; V11-Y75 HydrophobicContact CG1-CG 4.19Å; V13-Y75 HydrophobicContact CG1-CD2 4.4Å; V13-Y75 HydrophobicContact CG1-CE2 3.85Å; L60-Y75 VanDerWaalsContact CD2-CB 3.45Å; L60-Y75 HydrophobicContact CD2-CD1 4.3Å; L60-Y75 HydrophobicContact CD2-CG 4.19Å; T62-Y75 HydrophobicContact CG2-CD1 4.04Å; T62-Y75 HydrophobicContact CG2-CE1 3.85Å; T62-Y75 HydrophobicContact CG2-CG 4.44Å; E67-Y75 WeakPolarHBondContact OE2-CE1 3.25Å; E67-Y75 PolarHBondContact OE2-OH 3.14Å; M71-Y75 WeakPolarHBondContact O-CD1 3.34Å; M71-Y75 PolarHBondContact O-N 3.27Å; R72-Y75 VanDerWaalsContact CA-CE1 3.45Å; R72-Y75 HydrophobicContact CB-CE1 4.23Å; R72-Y75 HydrophobicContact CG-CE2 4.09Å; R72-Y75 WeakPolarHBondContact CG-OH 3.5Å; R72-Y75 PolarHBondContact NE-OH 3.39Å; R72-Y75 WeakPolarHBondContact O-CD2 3.44Å; R72-Y75 WeakPolarHBondContact O-CE2 3.39Å; Y75-R77 VanDerWaalsContact C-N 3.29Å; Y75-R77 PolarHBondContact O-N 2.84Å; Y75-S78 PolarHBondContact O-N 3.21Å; Y75-G79 PolarHBondContact O-N 3.1Å |
| 76 | M | 95 | Very high | 86.6 | Confident | 3 Ų | 3 | 54.1 Ų | 54.1 | 2% | 0.015 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.5 | -38.6 | 174.6 | -72 | -179.7 | 177.4 | 0 | 0 | 111 | R72 E73 F82 F100 Q103 I104 V107 K108 | R72-M76 HydrophobicContact CG-CE 3.49Å; R72-M76 VanDerWaalsContact CG-CE 3.49Å; R72-M76 HydrophobicContact CG-SD 3.9Å; R72-M76 WeakPolarHBondContact O-CB 3.3Å; R72-M76 VanDerWaalsContact O-CG 3.25Å; R72-M76 WeakPolarHBondContact O-CG 3.38Å; R72-M76 PolarHBondContact O-N 2.9Å; R72-M76 VanDerWaalsContact O-N 3.16Å; E73-M76 PolarHBondContact O-N 3.43Å; M76-F82 WeakPolarHBondContact O-CZ 3.47Å; M76-F100 HydrophobicContact CE-CD1 3.76Å; M76-F100 HydrophobicContact CE-CE1 4.22Å; M76-Q103 HydrophobicContact CE-CB 3.78Å; M76-Q103 HydrophobicContact SD-CB 3.99Å; M76-I104 HydrophobicContact CE-CG1 4.06Å; M76-I104 HydrophobicContact CG-CG1 3.95Å; M76-I104 HydrophobicContact SD-CG1 4.21Å; M76-V107 HydrophobicContact CB-CB 3.92Å; M76-V107 HydrophobicContact CB-CG1 3.69Å; M76-V107 HydrophobicContact CB-CG2 4.15Å; M76-V107 HydrophobicContact SD-CG2 3.95Å; M76-K108 WeakPolarHBondContact O-CE 3.46Å; M76-K108 PolarHBondContact O-NZ 3.4Å |
| 77 | R | 95.8 | Very high | 88.4 | Confident | 155 Ų | 155 | 45.7 Ų | 45.7 | 59% | 0.585 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -69.7 | -46.1 | 177.6 | -166.8 | -179.6 | -54.4 | -82.2 | -2.7 | 111.7 | E73 Q74 Y75 V107 K108 | E73-R77 VanDerWaalsContact O-CB 3.24Å; E73-R77 WeakPolarHBondContact O-CB 3.47Å; E73-R77 PolarHBondContact O-N 3.45Å; E73-R77 IonicContact OE2-NH2 3.55Å; Q74-R77 PolarHBondContact O-N 3.45Å; Y75-R77 VanDerWaalsContact C-N 3.29Å; Y75-R77 PolarHBondContact O-N 2.84Å; R77-V107 HydrophobicContact CB-CG1 4.11Å; R77-K108 PolarHBondContact O-NZ 2.82Å |
| 78 | S | 95.3 | Very high | 90.4 | Very high | 60 Ų | 60 | 45 Ų | 45 | 42% | 0.42 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -88 | -20.8 | -170.4 | 61.1 | 0 | 0 | 0 | 0 | 115.6 | Q74 Y75 | Q74-S78 WeakPolarHBondContact O-CB 3.38Å; Q74-S78 PolarHBondContact O-N 3.05Å; Q74-S78 PolarHBondContact O-OG 3.18Å; Y75-S78 PolarHBondContact O-N 3.21Å |
| 79 | G | 97.8 | Very high | 92.1 | Very high | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.01 | 21% | 0.211 | C | C | . | . | trans | -68 | 137.7 | 179 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y75 K108 | Y75-G79 PolarHBondContact O-N 3.1Å; G79-K108 WeakPolarHBondContact O-CE 3.35Å; G79-K108 PolarHBondContact O-NZ 3.37Å | ||
| 80 | E | 98.4 | Very high | 93.6 | Very high | 50 Ų | 50 | 40.3 Ų | 40.3 | 23% | 0.234 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -91.5 | -22.4 | 179.8 | -68.8 | 170.1 | -121.9 | 0 | 0 | 112.2 | K9 F113 I168 Q172 | K9-E80 HydrophobicContact CB-CG 4.26Å; K9-E80 WeakPolarHBondContact CG-OE1 3.42Å; K9-E80 PolarHBondContact N-OE1 2.82Å; K9-E80 PolarHBondContact O-N 2.74Å; E80-F113 VanDerWaalsContact O-CE1 3.22Å; E80-F113 WeakPolarHBondContact O-CE1 3.36Å; E80-F113 WeakPolarHBondContact O-CZ 3.41Å; E80-I168 HydrophobicContact CB-CD1 4.35Å; E80-I168 HydrophobicContact CB-CG2 4.4Å; E80-Q172 PolarHBondContact OE2-NE2 3.21Å |
| 81 | G | 98.6 | Very high | 95 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.6 | 160 | 167.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | K9 V11 P114 | K9-G81 PolarHBondContact O-N 3.01Å; V11-G81 PolarHBondContact N-O 3.07Å; G81-P114 VanDerWaalsContact CA-O 3.25Å; G81-P114 WeakPolarHBondContact CA-O 3.31Å |
| 82 | F | 98.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 130.7 | -170.2 | -60.5 | -95.3 | 0 | 0 | 0 | 112.9 | V11 M76 L84 I104 F113 P114 M115 V116 | V11-F82 HydrophobicContact CB-CD1 3.7Å; V11-F82 HydrophobicContact CB-CE1 3.74Å; V11-F82 HydrophobicContact CG1-CD1 4.23Å; V11-F82 HydrophobicContact CG1-CE1 4.19Å; V11-F82 HydrophobicContact CG2-CD1 4.34Å; V11-F82 HydrophobicContact CG2-CE1 3.93Å; V11-F82 CarbonylContact O-C 3.55Å; V11-F82 WeakPolarHBondContact O-CA 3.25Å; M76-F82 WeakPolarHBondContact O-CZ 3.47Å; F82-L84 HydrophobicContact CB-CD2 4.29Å; F82-I104 HydrophobicContact CB-CD1 4.03Å; F82-I104 HydrophobicContact CD1-CD1 3.72Å; F82-I104 HydrophobicContact CD1-CG1 4.19Å; F82-I104 HydrophobicContact CD2-CD1 4.32Å; F82-I104 HydrophobicContact CD2-CG2 3.75Å; F82-I104 HydrophobicContact CE1-CD1 4.31Å; F82-I104 HydrophobicContact CE1-CG1 4.28Å; F82-I104 HydrophobicContact CE2-CG2 3.62Å; F82-I104 HydrophobicContact CG-CD1 3.75Å; F82-I104 HydrophobicContact CG-CG1 4.41Å; F82-I104 HydrophobicContact CG-CG2 4.29Å; F82-I104 HydrophobicContact CZ-CG2 4.06Å; F82-F113 AromaticContact CD2-CD1 3.83Å; F82-F113 HydrophobicContact CD2-CD1 3.83Å; F82-F113 AromaticContact CD2-CE1 3.93Å; F82-F113 HydrophobicContact CD2-CE1 3.93Å; F82-F113 AromaticContact CE2-CD1 3.73Å; F82-F113 HydrophobicContact CE2-CD1 3.73Å; F82-F113 AromaticContact CE2-CE1 3.53Å; F82-F113 HydrophobicContact CE2-CE1 3.53Å; F82-P114 PolarHBondContact N-O 2.96Å; F82-M115 HydrophobicContact CB-CG 4.16Å; F82-M115 CarbonylContact O-C 3.56Å; F82-M115 VanDerWaalsContact O-CA 3.24Å; F82-M115 WeakPolarHBondContact O-CA 3.3Å; F82-V116 PolarHBondContact O-N 3.27Å |
| 83 | L | 98.8 | Very high | 96.7 | Very high | 4 Ų | 4 | 37.2 Ų | 37.2 | 2% | 0.021 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 113.6 | 162.7 | -74.6 | 164.1 | 0 | 0 | 0 | 108.3 | V11 V12 V13 V85 V116 I118 A160 F161 L164 | V11-L83 PolarHBondContact O-N 2.68Å; V12-L83 HydrophobicContact CG1-CB 4.18Å; V12-L83 HydrophobicContact CG2-CB 4.38Å; V12-L83 HydrophobicContact CG2-CD1 4.05Å; V13-L83 PolarHBondContact N-O 2.99Å; L83-V85 HydrophobicContact CB-CG2 4.28Å; L83-V116 HydrophobicContact CD2-CB 4.07Å; L83-I118 HydrophobicContact CD2-CD1 3.87Å; L83-I118 HydrophobicContact CD2-CG1 3.69Å; L83-A160 HydrophobicContact CD2-CB 4.1Å; L83-F161 HydrophobicContact CD1-CD1 3.46Å; L83-F161 VanDerWaalsContact CD1-CD1 3.46Å; L83-F161 HydrophobicContact CD1-CD2 4.31Å; L83-F161 HydrophobicContact CD1-CE1 3.26Å; L83-F161 HydrophobicContact CD1-CE2 4.14Å; L83-F161 HydrophobicContact CD1-CG 3.99Å; L83-F161 HydrophobicContact CD1-CZ 3.63Å; L83-L164 HydrophobicContact CD2-CD2 4.44Å; L83-L164 HydrophobicContact CG-CD2 3.87Å |
| 84 | L | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 96.5 | 177.1 | -64.4 | -167 | 0 | 0 | 0 | 109.1 | V13 F82 V97 F100 H101 I104 M115 V116 L117 I118 I144 | V13-L84 HydrophobicContact CG2-CD2 3.39Å; F82-L84 HydrophobicContact CB-CD2 4.29Å; L84-V97 VanDerWaalsContact C-CG2 3.47Å; L84-V97 HydrophobicContact CB-CG2 3.64Å; L84-F100 HydrophobicContact CD2-CB 4.34Å; L84-H101 HydrophobicContact CD1-CB 3.85Å; L84-I104 HydrophobicContact CD2-CD1 3.67Å; L84-M115 HydrophobicContact CD1-CB 4.47Å; L84-M115 HydrophobicContact CD1-SD 3.88Å; L84-M115 HydrophobicContact CD2-SD 4.45Å; L84-M115 HydrophobicContact CG-CB 4.47Å; L84-M115 HydrophobicContact CG-SD 4.33Å; L84-V116 PolarHBondContact N-O 2.88Å; L84-L117 HydrophobicContact CB-CD1 4.05Å; L84-I118 PolarHBondContact O-N 3.47Å; L84-I144 HydrophobicContact CD1-CD1 4.23Å |
| 85 | V | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 127.3 | -171.7 | -169.9 | 0 | 0 | 0 | 0 | 111.5 | V12 V13 G14 V18 K20 L23 L83 I118 N120 | V12-V85 HydrophobicContact CG1-CG2 3.57Å; V13-V85 PolarHBondContact O-N 2.98Å; G14-V85 VanDerWaalsContact CA-O 3.31Å; G14-V85 WeakPolarHBondContact CA-O 3.24Å; V18-V85 HydrophobicContact CB-CG1 4.38Å; V18-V85 HydrophobicContact CG2-CB 4.13Å; V18-V85 HydrophobicContact CG2-CG1 3.84Å; K20-V85 HydrophobicContact CG-CB 4.17Å; K20-V85 HydrophobicContact CG-CG2 4.43Å; L23-V85 HydrophobicContact CD1-CG1 3.8Å; L23-V85 HydrophobicContact CD1-CG2 4.08Å; L83-V85 HydrophobicContact CB-CG2 4.28Å; V85-I118 HydrophobicContact CG2-CB 4.27Å; V85-N120 HydrophobicContact CG1-CB 3.95Å |
| 86 | F | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 165.9 | 166.2 | 73.3 | -81.5 | 0 | 0 | 0 | 109.7 | L88 F94 V97 L117 I118 N120 I130 A135 Y146 | F86-L88 HydrophobicContact CE2-CD2 3.82Å; F86-L88 HydrophobicContact CZ-CD2 4.05Å; F86-F94 AromaticContact CD1-CD2 3.92Å; F86-F94 HydrophobicContact CD1-CD2 3.92Å; F86-F94 HydrophobicContact CD1-CE2 4.48Å; F86-F94 HydrophobicContact CD2-CB 3.92Å; F86-F94 AromaticContact CD2-CD2 3.72Å; F86-F94 HydrophobicContact CD2-CD2 3.72Å; F86-F94 HydrophobicContact CD2-CG 4.24Å; F86-F94 AromaticContact CE1-CD2 3.88Å; F86-F94 HydrophobicContact CE1-CD2 3.88Å; F86-F94 HydrophobicContact CE1-CE2 4.09Å; F86-F94 HydrophobicContact CE2-CB 4.42Å; F86-F94 AromaticContact CE2-CD2 3.66Å; F86-F94 HydrophobicContact CE2-CD2 3.66Å; F86-F94 HydrophobicContact CE2-CE2 4.33Å; F86-F94 HydrophobicContact CE2-CG 4.34Å; F86-F94 HydrophobicContact CG-CB 4.34Å; F86-F94 AromaticContact CG-CD2 3.84Å; F86-F94 HydrophobicContact CG-CD2 3.84Å; F86-F94 AromaticContact CZ-CD2 3.75Å; F86-F94 HydrophobicContact CZ-CD2 3.75Å; F86-F94 HydrophobicContact CZ-CE2 4.01Å; F86-V97 HydrophobicContact CB-CB 4.3Å; F86-V97 HydrophobicContact CB-CG1 4.4Å; F86-V97 HydrophobicContact CD1-CG1 4.26Å; F86-L117 HydrophobicContact CD1-CD1 3.9Å; F86-L117 HydrophobicContact CD1-CG 4.36Å; F86-L117 HydrophobicContact CE1-CD1 3.94Å; F86-L117 HydrophobicContact CE1-CD2 4.29Å; F86-L117 HydrophobicContact CE1-CG 3.91Å; F86-I118 WeakPolarHBondContact CD1-O 3.17Å; F86-I118 PolarHBondContact N-O 3.28Å; F86-N120 WeakPolarHBondContact O-CB 3.31Å; F86-N120 PolarHBondContact O-N 3.36Å; F86-I130 HydrophobicContact CE2-CB 4.14Å; F86-I130 HydrophobicContact CE2-CG1 4.21Å; F86-I130 HydrophobicContact CE2-CG2 3.89Å; F86-I130 HydrophobicContact CZ-CG2 4.38Å; F86-A135 HydrophobicContact CZ-CB 3.91Å; F86-Y146 HydrophobicContact CE1-CE2 4.06Å; F86-Y146 HydrophobicContact CZ-CE2 4.05Å |
| 87 | A | 98.6 | Very high | 97.8 | Very high | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.008 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 132.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | V18 N89 D90 S93 K121 | V18-A87 HydrophobicContact CB-CB 4.3Å; V18-A87 HydrophobicContact CG1-CB 4.42Å; A87-N89 WeakPolarHBondContact CB-OD1 3.42Å; A87-N89 PolarHBondContact O-N 3.29Å; A87-N89 VanDerWaalsContact O-N 3.11Å; A87-D90 HydrophobicContact CB-CB 4.17Å; A87-D90 PolarHBondContact O-N 2.61Å; A87-S93 PolarHBondContact N-OG 3.31Å; A87-S93 PolarHBondContact O-OG 3.05Å; A87-K121 HydrophobicContact CB-CD 3.96Å; A87-K121 HydrophobicContact CB-CG 4.3Å |
| 88 | L | 98.8 | Very high | 97.9 | Very high | 3 Ų | 3 | 29.6 Ų | 29.6 | 2% | 0.016 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -21.9 | -178.2 | -70 | 169.8 | 0 | 0 | 0 | 113.4 | F86 G119 N120 A122 R128 V129 I130 E148 | F86-L88 HydrophobicContact CE2-CD2 3.82Å; F86-L88 HydrophobicContact CZ-CD2 4.05Å; L88-G119 WeakPolarHBondContact CD1-O 3.4Å; L88-N120 WeakPolarHBondContact CG-O 3.47Å; L88-N120 PolarHBondContact N-O 3.41Å; L88-A122 HydrophobicContact CD1-CB 3.82Å; L88-R128 VanDerWaalsContact CD2-NH1 3.32Å; L88-V129 PolarHBondContact O-N 3.39Å; L88-I130 PolarHBondContact O-N 3.16Å; L88-E148 HydrophobicContact CD1-CB 4.36Å; L88-E148 HydrophobicContact CD1-CG 4.11Å |
| 89 | N | 98.4 | Very high | 97.9 | Very high | 51 Ų | 51 | 33.1 Ų | 33.1 | 27% | 0.273 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | 10.5 | 176.5 | 73.3 | -34.8 | 0 | 0 | 0 | 113.9 | A87 H127 V129 | A87-N89 WeakPolarHBondContact CB-OD1 3.42Å; A87-N89 PolarHBondContact O-N 3.29Å; A87-N89 VanDerWaalsContact O-N 3.11Å; N89-H127 VanDerWaalsContact CA-O 3.3Å; N89-H127 WeakPolarHBondContact CA-O 3.27Å; N89-H127 HydrophobicContact CB-CB 3.96Å; N89-H127 WeakPolarHBondContact CB-O 3.47Å; N89-V129 VanDerWaalsContact C-CG2 3.46Å |
| 90 | D | 98.2 | Very high | 97.8 | Very high | 68 Ų | 68 | 33.6 Ų | 33.6 | 36% | 0.364 | 16% | 0.163 | S | C | . | . | trans | -138.3 | 105.6 | 179.4 | -179.3 | -4.2 | 0 | 0 | 0 | 111.8 | A87 G92 S93 | A87-D90 HydrophobicContact CB-CB 4.17Å; A87-D90 PolarHBondContact O-N 2.61Å; D90-G92 VanDerWaalsContact C-N 3.34Å; D90-G92 PolarHBondContact O-N 3.45Å; D90-G92 WeakPolarHBondContact OD1-CA 3.37Å; D90-G92 PolarHBondContact OD1-N 3.19Å; D90-S93 PolarHBondContact O-N 3.18Å; D90-S93 PolarHBondContact O-OG 3.02Å; D90-S93 PolarHBondContact OD1-N 3.16Å | ||
| 91 | R | 98 | Very high | 97.8 | Very high | 112 Ų | 112 | 31.7 Ų | 31.7 | 42% | 0.423 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -68.9 | -29.9 | 179 | -177.4 | 168.1 | -71.4 | -93 | 0.5 | 113.4 | S93 F94 H95 V129 I130 D134 | R91-S93 VanDerWaalsContact C-N 3.33Å; R91-F94 PolarHBondContact O-N 2.89Å; R91-H95 PolarHBondContact O-N 3.45Å; R91-V129 HydrophobicContact CB-CG2 4.05Å; R91-V129 PolarHBondContact NH2-O 3.47Å; R91-I130 HydrophobicContact CB-CD1 3.81Å; R91-I130 HydrophobicContact CG-CD1 3.78Å; R91-D134 IonicContact NH2-OD2 2.8Å |
| 92 | G | 97.6 | Very high | 97.7 | Very high | 32 Ų | 32 | 36.1 Ų | 36.1 | 33% | 0.33 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -63 | -44.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | D90 F94 H95 E96 | D90-G92 VanDerWaalsContact C-N 3.34Å; D90-G92 PolarHBondContact O-N 3.45Å; D90-G92 WeakPolarHBondContact OD1-CA 3.37Å; D90-G92 PolarHBondContact OD1-N 3.19Å; G92-F94 VanDerWaalsContact C-N 3.25Å; G92-F94 PolarHBondContact O-N 3.4Å; G92-H95 PolarHBondContact O-N 3.31Å; G92-H95 VanDerWaalsContact O-N 3.11Å; G92-E96 PolarHBondContact O-N 3.32Å |
| 93 | S | 97.4 | Very high | 97.6 | Very high | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.007 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.5 | -32.5 | 177.7 | 78.2 | 0 | 0 | 0 | 0 | 113.8 | V18 A87 D90 R91 E96 V97 | V18-S93 VanDerWaalsContact CG1-CB 3.44Å; A87-S93 PolarHBondContact N-OG 3.31Å; A87-S93 PolarHBondContact O-OG 3.05Å; D90-S93 PolarHBondContact O-N 3.18Å; D90-S93 PolarHBondContact O-OG 3.02Å; D90-S93 PolarHBondContact OD1-N 3.16Å; R91-S93 VanDerWaalsContact C-N 3.33Å; S93-E96 PolarHBondContact O-N 3.25Å; S93-V97 PolarHBondContact O-N 3.38Å |
| 94 | F | 98.5 | Very high | 97.5 | Very high | 10 Ų | 10 | 39.4 Ų | 39.4 | 4% | 0.044 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -67.8 | -42.9 | 175.5 | -174.4 | -117.9 | 0 | 0 | 0 | 111.5 | F86 R91 G92 E96 V97 Q98 L117 I130 A135 F138 | F86-F94 AromaticContact CD1-CD2 3.92Å; F86-F94 HydrophobicContact CD1-CD2 3.92Å; F86-F94 HydrophobicContact CD1-CE2 4.48Å; F86-F94 HydrophobicContact CD2-CB 3.92Å; F86-F94 AromaticContact CD2-CD2 3.72Å; F86-F94 HydrophobicContact CD2-CD2 3.72Å; F86-F94 HydrophobicContact CD2-CG 4.24Å; F86-F94 AromaticContact CE1-CD2 3.88Å; F86-F94 HydrophobicContact CE1-CD2 3.88Å; F86-F94 HydrophobicContact CE1-CE2 4.09Å; F86-F94 HydrophobicContact CE2-CB 4.42Å; F86-F94 AromaticContact CE2-CD2 3.66Å; F86-F94 HydrophobicContact CE2-CD2 3.66Å; F86-F94 HydrophobicContact CE2-CE2 4.33Å; F86-F94 HydrophobicContact CE2-CG 4.34Å; F86-F94 HydrophobicContact CG-CB 4.34Å; F86-F94 AromaticContact CG-CD2 3.84Å; F86-F94 HydrophobicContact CG-CD2 3.84Å; F86-F94 AromaticContact CZ-CD2 3.75Å; F86-F94 HydrophobicContact CZ-CD2 3.75Å; F86-F94 HydrophobicContact CZ-CE2 4.01Å; R91-F94 PolarHBondContact O-N 2.89Å; G92-F94 VanDerWaalsContact C-N 3.25Å; G92-F94 PolarHBondContact O-N 3.4Å; F94-E96 VanDerWaalsContact C-N 3.3Å; F94-E96 PolarHBondContact O-N 3.22Å; F94-V97 HydrophobicContact CD2-CG1 4.39Å; F94-V97 WeakPolarHBondContact O-CG1 3.21Å; F94-V97 PolarHBondContact O-N 3.47Å; F94-Q98 WeakPolarHBondContact O-CG 3.33Å; F94-Q98 PolarHBondContact O-N 2.92Å; F94-L117 HydrophobicContact CE2-CD2 4.5Å; F94-I130 HydrophobicContact CB-CD1 4.06Å; F94-I130 HydrophobicContact CB-CG1 4.12Å; F94-I130 HydrophobicContact CD1-CD1 4.22Å; F94-I130 HydrophobicContact CD2-CG2 4.49Å; F94-I130 HydrophobicContact CG-CD1 4.3Å; F94-I130 HydrophobicContact CG-CG1 4.42Å; F94-I130 HydrophobicContact CG-CG2 4.42Å; F94-A135 HydrophobicContact CE2-CB 4.17Å; F94-A135 HydrophobicContact CZ-CB 4.43Å; F94-F138 HydrophobicContact CZ-CB 4.04Å; F94-F138 HydrophobicContact CZ-CG 4.39Å |
| 95 | H | 97.3 | Very high | 97.5 | Very high | 92 Ų | 92 | 40.6 Ų | 40.6 | 43% | 0.426 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -64.2 | -36 | 174.3 | -63 | 165.7 | 0 | 0 | 0 | 112.3 | R91 G92 Q98 K99 | R91-H95 PolarHBondContact O-N 3.45Å; G92-H95 PolarHBondContact O-N 3.31Å; G92-H95 VanDerWaalsContact O-N 3.11Å; H95-Q98 PolarHBondContact O-N 3.04Å; H95-K99 PolarHBondContact O-N 3.31Å |
| 96 | E | 95.3 | Very high | 97.4 | Very high | 79 Ų | 79 | 50.8 Ų | 50.8 | 37% | 0.369 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -64.6 | -42.1 | 176.3 | -72.2 | 176.4 | -167.6 | 0 | 0 | 111.9 | G15 G92 S93 F94 Q98 K99 F100 | G15-E96 WeakPolarHBondContact CA-OE2 3.4Å; G92-E96 PolarHBondContact O-N 3.32Å; S93-E96 PolarHBondContact O-N 3.25Å; F94-E96 VanDerWaalsContact C-N 3.3Å; F94-E96 PolarHBondContact O-N 3.22Å; E96-Q98 VanDerWaalsContact C-N 3.26Å; E96-Q98 PolarHBondContact O-N 3.34Å; E96-K99 WeakPolarHBondContact O-CB 3.15Å; E96-K99 PolarHBondContact O-N 3.33Å; E96-F100 WeakPolarHBondContact O-CD2 3.27Å; E96-F100 PolarHBondContact O-N 3.38Å |
| 97 | V | 96.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -64.7 | -31.4 | 179.7 | 103.6 | 0 | 0 | 0 | 0 | 112.7 | L84 F86 S93 F94 K99 F100 H101 L117 | L84-V97 VanDerWaalsContact C-CG2 3.47Å; L84-V97 HydrophobicContact CB-CG2 3.64Å; F86-V97 HydrophobicContact CB-CB 4.3Å; F86-V97 HydrophobicContact CB-CG1 4.4Å; F86-V97 HydrophobicContact CD1-CG1 4.26Å; S93-V97 PolarHBondContact O-N 3.38Å; F94-V97 HydrophobicContact CD2-CG1 4.39Å; F94-V97 WeakPolarHBondContact O-CG1 3.21Å; F94-V97 PolarHBondContact O-N 3.47Å; V97-K99 VanDerWaalsContact C-N 3.33Å; V97-F100 PolarHBondContact O-N 2.98Å; V97-H101 PolarHBondContact O-N 3.19Å; V97-L117 HydrophobicContact CG1-CD1 3.52Å |
| 98 | Q | 97.7 | Very high | 97.2 | Very high | 57 Ų | 57 | 54.4 Ų | 54.4 | 27% | 0.266 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -66.3 | -35.2 | 172.9 | -63.6 | 175.3 | -27.1 | 0 | 0 | 112.1 | F94 H95 E96 T102 F138 | F94-Q98 WeakPolarHBondContact O-CG 3.33Å; F94-Q98 PolarHBondContact O-N 2.92Å; H95-Q98 PolarHBondContact O-N 3.04Å; E96-Q98 VanDerWaalsContact C-N 3.26Å; E96-Q98 PolarHBondContact O-N 3.34Å; Q98-T102 PolarHBondContact O-N 3.2Å; Q98-T102 PolarHBondContact O-OG1 2.85Å; Q98-F138 HydrophobicContact CB-CE2 4.07Å; Q98-F138 HydrophobicContact CB-CZ 4.18Å; Q98-F138 HydrophobicContact CG-CD2 3.93Å; Q98-F138 HydrophobicContact CG-CE1 4.26Å; Q98-F138 HydrophobicContact CG-CE2 3.59Å; Q98-F138 HydrophobicContact CG-CG 4.41Å; Q98-F138 HydrophobicContact CG-CZ 3.78Å |
| 99 | K | 95.6 | Very high | 97.1 | Very high | 134 Ų | 134 | 61.1 Ų | 61.1 | 58% | 0.583 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -67.9 | -43.4 | 172.9 | -63.2 | 173.4 | -175.4 | 174.3 | 0 | 110.8 | H95 E96 V97 H101 T102 Q103 | H95-K99 PolarHBondContact O-N 3.31Å; E96-K99 WeakPolarHBondContact O-CB 3.15Å; E96-K99 PolarHBondContact O-N 3.33Å; V97-K99 VanDerWaalsContact C-N 3.33Å; K99-H101 VanDerWaalsContact C-N 3.34Å; K99-H101 PolarHBondContact O-N 3.39Å; K99-T102 PolarHBondContact O-N 3Å; K99-Q103 WeakPolarHBondContact O-CB 3.37Å; K99-Q103 VanDerWaalsContact O-CG 3.3Å; K99-Q103 WeakPolarHBondContact O-CG 3.34Å; K99-Q103 PolarHBondContact O-N 2.87Å |
| 100 | F | 95.6 | Very high | 96.9 | Very high | 12 Ų | 12 | 63.3 Ų | 63.3 | 5% | 0.053 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -57.1 | -47.2 | 175.1 | -84.1 | -71.7 | 0 | 0 | 0 | 111.6 | V13 M76 L84 E96 V97 T102 Q103 I104 | V13-F100 HydrophobicContact CB-CD1 3.97Å; V13-F100 HydrophobicContact CB-CE1 4.11Å; V13-F100 HydrophobicContact CB-CG 4.3Å; V13-F100 HydrophobicContact CG1-CD1 4.47Å; V13-F100 HydrophobicContact CG1-CE1 4.49Å; V13-F100 HydrophobicContact CG2-CB 4.23Å; V13-F100 HydrophobicContact CG2-CD1 4.15Å; V13-F100 HydrophobicContact CG2-CG 4.18Å; M76-F100 HydrophobicContact CE-CD1 3.76Å; M76-F100 HydrophobicContact CE-CE1 4.22Å; L84-F100 HydrophobicContact CD2-CB 4.34Å; E96-F100 WeakPolarHBondContact O-CD2 3.27Å; E96-F100 PolarHBondContact O-N 3.38Å; V97-F100 PolarHBondContact O-N 2.98Å; F100-T102 VanDerWaalsContact C-N 3.35Å; F100-T102 PolarHBondContact O-N 3.44Å; F100-Q103 PolarHBondContact O-N 3Å; F100-I104 WeakPolarHBondContact O-CD1 3.37Å; F100-I104 VanDerWaalsContact O-CG1 3.25Å; F100-I104 WeakPolarHBondContact O-CG1 3.42Å; F100-I104 PolarHBondContact O-N 3.38Å |
| 101 | H | 98 | Very high | 96.8 | Very high | 10 Ų | 10 | 67.7 Ų | 67.7 | 5% | 0.046 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -51 | -53.5 | 174.4 | 173.1 | -96.4 | 0 | 0 | 0 | 112 | L84 V97 K99 Q103 I104 L105 F138 N142 | L84-H101 HydrophobicContact CD1-CB 3.85Å; V97-H101 PolarHBondContact O-N 3.19Å; K99-H101 VanDerWaalsContact C-N 3.34Å; K99-H101 PolarHBondContact O-N 3.39Å; H101-Q103 VanDerWaalsContact C-N 3.33Å; H101-Q103 PolarHBondContact O-N 3.42Å; H101-I104 PolarHBondContact O-N 3.42Å; H101-L105 VanDerWaalsContact CE1-CD1 3.41Å; H101-L105 WeakPolarHBondContact CE1-CD1 3.46Å; H101-L105 PolarHBondContact O-N 3.4Å; H101-L105 VanDerWaalsContact O-N 3.14Å; H101-F138 HydrophobicContact CB-CZ 4.16Å; H101-N142 PolarHBondContact CE1-OD1 3.12Å |
| 102 | T | 97.3 | Very high | 96.6 | Very high | 92 Ų | 92 | 66.2 Ų | 66.2 | 56% | 0.564 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -61.4 | -41.1 | -179.7 | -52.8 | 0 | 0 | 0 | 0 | 112.1 | Q98 K99 F100 R106 | Q98-T102 PolarHBondContact O-N 3.2Å; Q98-T102 PolarHBondContact O-OG1 2.85Å; K99-T102 PolarHBondContact O-N 3Å; F100-T102 VanDerWaalsContact C-N 3.35Å; F100-T102 PolarHBondContact O-N 3.44Å; T102-R106 WeakPolarHBondContact O-CB 3.36Å; T102-R106 PolarHBondContact O-N 3.35Å; T102-R106 VanDerWaalsContact O-N 3.1Å |
| 103 | Q | 95.6 | Very high | 96.6 | Very high | 73 Ų | 73 | 66.1 Ų | 66.1 | 34% | 0.341 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -68.5 | -41.1 | 179.7 | -73.3 | 175.3 | -11.3 | 0 | 0 | 112.2 | M76 K99 F100 H101 R106 V107 | M76-Q103 HydrophobicContact CE-CB 3.78Å; M76-Q103 HydrophobicContact SD-CB 3.99Å; K99-Q103 WeakPolarHBondContact O-CB 3.37Å; K99-Q103 VanDerWaalsContact O-CG 3.3Å; K99-Q103 WeakPolarHBondContact O-CG 3.34Å; K99-Q103 PolarHBondContact O-N 2.87Å; F100-Q103 PolarHBondContact O-N 3Å; H101-Q103 VanDerWaalsContact C-N 3.33Å; H101-Q103 PolarHBondContact O-N 3.42Å; Q103-R106 PolarHBondContact O-N 3.2Å; Q103-V107 WeakPolarHBondContact O-CG2 3.4Å; Q103-V107 PolarHBondContact O-N 2.83Å |
| 104 | I | 97 | Very high | 96.7 | Very high | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.3 | -50.9 | 177.7 | -67.9 | 158.2 | 0 | 0 | 0 | 109.8 | V13 M76 F82 L84 F100 H101 R106 V107 K108 M115 | V13-I104 HydrophobicContact CG2-CD1 4.24Å; M76-I104 HydrophobicContact CE-CG1 4.06Å; M76-I104 HydrophobicContact CG-CG1 3.95Å; M76-I104 HydrophobicContact SD-CG1 4.21Å; F82-I104 HydrophobicContact CB-CD1 4.03Å; F82-I104 HydrophobicContact CD1-CD1 3.72Å; F82-I104 HydrophobicContact CD1-CG1 4.19Å; F82-I104 HydrophobicContact CD2-CD1 4.32Å; F82-I104 HydrophobicContact CD2-CG2 3.75Å; F82-I104 HydrophobicContact CE1-CD1 4.31Å; F82-I104 HydrophobicContact CE1-CG1 4.28Å; F82-I104 HydrophobicContact CE2-CG2 3.62Å; F82-I104 HydrophobicContact CG-CD1 3.75Å; F82-I104 HydrophobicContact CG-CG1 4.41Å; F82-I104 HydrophobicContact CG-CG2 4.29Å; F82-I104 HydrophobicContact CZ-CG2 4.06Å; L84-I104 HydrophobicContact CD2-CD1 3.67Å; F100-I104 WeakPolarHBondContact O-CD1 3.37Å; F100-I104 VanDerWaalsContact O-CG1 3.25Å; F100-I104 WeakPolarHBondContact O-CG1 3.42Å; F100-I104 PolarHBondContact O-N 3.38Å; H101-I104 PolarHBondContact O-N 3.42Å; I104-R106 VanDerWaalsContact C-N 3.28Å; I104-R106 PolarHBondContact O-N 2.79Å; I104-V107 PolarHBondContact O-N 2.96Å; I104-V107 VanDerWaalsContact O-N 3.14Å; I104-K108 HydrophobicContact CG2-CG 4.12Å; I104-K108 WeakPolarHBondContact O-CB 3.43Å; I104-K108 VanDerWaalsContact O-CG 3.27Å; I104-K108 WeakPolarHBondContact O-CG 3.23Å; I104-K108 PolarHBondContact O-N 2.89Å; I104-M115 HydrophobicContact CB-CE 3.83Å; I104-M115 HydrophobicContact CD1-SD 4.23Å; I104-M115 HydrophobicContact CG2-CE 3.4Å; I104-M115 HydrophobicContact CG2-SD 4.38Å |
| 105 | L | 97.9 | Very high | 96.7 | Very high | 25 Ų | 25 | 65.8 Ų | 65.8 | 13% | 0.131 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -57.2 | -42.1 | 177.9 | -70.6 | -175.8 | 0 | 0 | 0 | 112 | H101 K108 D109 R110 F113 M115 | H101-L105 VanDerWaalsContact CE1-CD1 3.41Å; H101-L105 WeakPolarHBondContact CE1-CD1 3.46Å; H101-L105 PolarHBondContact O-N 3.4Å; H101-L105 VanDerWaalsContact O-N 3.14Å; L105-K108 PolarHBondContact O-N 3Å; L105-D109 PolarHBondContact O-N 2.98Å; L105-R110 WeakPolarHBondContact CB-O 3.34Å; L105-R110 PolarHBondContact O-N 2.83Å; L105-R110 VanDerWaalsContact O-N 3.14Å; L105-F113 HydrophobicContact CD2-CB 3.98Å; L105-M115 HydrophobicContact CD2-CE 3.62Å; L105-M115 HydrophobicContact CG-CE 3.92Å |
| 106 | R | 97.1 | Very high | 96.8 | Very high | 215 Ų | 215 | 61.4 Ų | 61.4 | 81% | 0.811 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -62.6 | -43.8 | 175.4 | -177.6 | -179.3 | 176.4 | -171.3 | -1.9 | 113 | T102 Q103 I104 K108 D109 | T102-R106 WeakPolarHBondContact O-CB 3.36Å; T102-R106 PolarHBondContact O-N 3.35Å; T102-R106 VanDerWaalsContact O-N 3.1Å; Q103-R106 PolarHBondContact O-N 3.2Å; I104-R106 VanDerWaalsContact C-N 3.28Å; I104-R106 PolarHBondContact O-N 2.79Å; R106-K108 VanDerWaalsContact C-N 3.33Å; R106-D109 PolarHBondContact O-N 3.02Å |
| 107 | V | 96.4 | Very high | 97 | Very high | 32 Ų | 32 | 57.6 Ų | 57.6 | 19% | 0.194 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -70.4 | -33.5 | 179.1 | 171.5 | 0 | 0 | 0 | 0 | 111.3 | E73 M76 R77 Q103 I104 D109 | E73-V107 HydrophobicContact CG-CG2 4.31Å; M76-V107 HydrophobicContact CB-CB 3.92Å; M76-V107 HydrophobicContact CB-CG1 3.69Å; M76-V107 HydrophobicContact CB-CG2 4.15Å; M76-V107 HydrophobicContact SD-CG2 3.95Å; R77-V107 HydrophobicContact CB-CG1 4.11Å; Q103-V107 WeakPolarHBondContact O-CG2 3.4Å; Q103-V107 PolarHBondContact O-N 2.83Å; I104-V107 PolarHBondContact O-N 2.96Å; I104-V107 VanDerWaalsContact O-N 3.14Å; V107-D109 VanDerWaalsContact C-N 3.29Å |
| 108 | K | 96.3 | Very high | 97.1 | Very high | 44 Ų | 44 | 57.7 Ų | 57.7 | 19% | 0.191 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -73.7 | -21.9 | 174.8 | -69.5 | -60.1 | -169.4 | -178.9 | 0 | 113.3 | M76 R77 G79 I104 L105 R106 R110 F113 | M76-K108 WeakPolarHBondContact O-CE 3.46Å; M76-K108 PolarHBondContact O-NZ 3.4Å; R77-K108 PolarHBondContact O-NZ 2.82Å; G79-K108 WeakPolarHBondContact O-CE 3.35Å; G79-K108 PolarHBondContact O-NZ 3.37Å; I104-K108 HydrophobicContact CG2-CG 4.12Å; I104-K108 WeakPolarHBondContact O-CB 3.43Å; I104-K108 VanDerWaalsContact O-CG 3.27Å; I104-K108 WeakPolarHBondContact O-CG 3.23Å; I104-K108 PolarHBondContact O-N 2.89Å; L105-K108 PolarHBondContact O-N 3Å; R106-K108 VanDerWaalsContact C-N 3.33Å; K108-R110 HydrophobicContact CB-CB 4.23Å; K108-R110 HydrophobicContact CB-CG 3.89Å; K108-R110 WeakPolarHBondContact O-CG 3.41Å; K108-F113 HydrophobicContact CB-CD2 4.27Å; K108-F113 HydrophobicContact CD-CD2 4.01Å; K108-F113 HydrophobicContact CD-CE1 4.33Å; K108-F113 HydrophobicContact CD-CE2 3.75Å; K108-F113 HydrophobicContact CD-CG 4.42Å; K108-F113 HydrophobicContact CD-CZ 3.94Å; K108-F113 VanDerWaalsContact CE-CE1 3.4Å; K108-F113 HydrophobicContact CG-CD1 4.27Å; K108-F113 HydrophobicContact CG-CD2 3.85Å; K108-F113 HydrophobicContact CG-CE2 4.13Å; K108-F113 HydrophobicContact CG-CG 3.95Å; K108-F113 HydrophobicContact CG-CZ 4.48Å |
| 109 | D | 96.9 | Very high | 97.1 | Very high | 144 Ų | 144 | 55 Ų | 55 | 77% | 0.77 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.6 | 50.9 | -171.1 | -164.4 | 35.2 | 0 | 0 | 0 | 111.3 | L105 R106 V107 | L105-D109 PolarHBondContact O-N 2.98Å; R106-D109 PolarHBondContact O-N 3.02Å; V107-D109 VanDerWaalsContact C-N 3.29Å |
| 110 | R | 95.4 | Very high | 97.3 | Very high | 98 Ų | 98 | 48.7 Ų | 48.7 | 37% | 0.37 | 24% | 0.235 | S | C | . | . | trans | -141.3 | 154 | -174.4 | -57.2 | -64.9 | -78.2 | -105.3 | -4.5 | 112.1 | L105 K108 D112 E175 | L105-R110 WeakPolarHBondContact CB-O 3.34Å; L105-R110 PolarHBondContact O-N 2.83Å; L105-R110 VanDerWaalsContact O-N 3.14Å; K108-R110 HydrophobicContact CB-CB 4.23Å; K108-R110 HydrophobicContact CB-CG 3.89Å; K108-R110 WeakPolarHBondContact O-CG 3.41Å; R110-D112 VanDerWaalsContact CB-O 3.28Å; R110-D112 WeakPolarHBondContact CB-O 3.25Å; R110-E175 IonicContact CZ-OE1 2.98Å; R110-E175 IonicContact NH1-OE1 2.83Å; R110-E175 PolarHBondContact NH1-OE1 2.85Å; R110-E175 IonicContact NH2-OE1 3.31Å; R110-E175 PolarHBondContact NH2-OE1 3.36Å | ||
| 111 | D | 94.6 | Very high | 97.4 | Very high | 160 Ų | 160 | 50.9 Ų | 50.9 | 86% | 0.856 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -82.6 | -25.5 | 170.9 | -65.8 | -36 | 0 | 0 | 0 | 112.5 | ||
| 112 | D | 94.9 | Very high | 97.4 | Very high | 80 Ų | 80 | 51.2 Ų | 51.2 | 43% | 0.428 | 25% | 0.249 | S | C | . | . | trans | -141.1 | 151 | 177.1 | 64.6 | -15.2 | 0 | 0 | 0 | 111.8 | R110 | R110-D112 VanDerWaalsContact CB-O 3.28Å; R110-D112 WeakPolarHBondContact CB-O 3.25Å | ||
| 113 | F | 98.3 | Very high | 97.4 | Very high | 31 Ų | 31 | 49.1 Ų | 49.1 | 14% | 0.136 | 23% | 0.234 | C | C | . | . | trans | -156.8 | 153.9 | 177.2 | -160.8 | -98.5 | 0 | 0 | 0 | 109.9 | E80 F82 L105 K108 M115 F171 | E80-F113 VanDerWaalsContact O-CE1 3.22Å; E80-F113 WeakPolarHBondContact O-CE1 3.36Å; E80-F113 WeakPolarHBondContact O-CZ 3.41Å; F82-F113 AromaticContact CD2-CD1 3.83Å; F82-F113 HydrophobicContact CD2-CD1 3.83Å; F82-F113 AromaticContact CD2-CE1 3.93Å; F82-F113 HydrophobicContact CD2-CE1 3.93Å; F82-F113 AromaticContact CE2-CD1 3.73Å; F82-F113 HydrophobicContact CE2-CD1 3.73Å; F82-F113 AromaticContact CE2-CE1 3.53Å; F82-F113 HydrophobicContact CE2-CE1 3.53Å; L105-F113 HydrophobicContact CD2-CB 3.98Å; K108-F113 HydrophobicContact CB-CD2 4.27Å; K108-F113 HydrophobicContact CD-CD2 4.01Å; K108-F113 HydrophobicContact CD-CE1 4.33Å; K108-F113 HydrophobicContact CD-CE2 3.75Å; K108-F113 HydrophobicContact CD-CG 4.42Å; K108-F113 HydrophobicContact CD-CZ 3.94Å; K108-F113 VanDerWaalsContact CE-CE1 3.4Å; K108-F113 HydrophobicContact CG-CD1 4.27Å; K108-F113 HydrophobicContact CG-CD2 3.85Å; K108-F113 HydrophobicContact CG-CE2 4.13Å; K108-F113 HydrophobicContact CG-CG 3.95Å; K108-F113 HydrophobicContact CG-CZ 4.48Å; F113-M115 HydrophobicContact CB-CE 3.8Å; F113-M115 WeakPolarHBondContact O-CG 3.1Å; F113-M115 PolarHBondContact O-N 2.82Å; F113-F171 HydrophobicContact CD2-CE1 4.27Å; F113-F171 AromaticContact CD2-CZ 3.93Å; F113-F171 HydrophobicContact CD2-CZ 3.93Å; F113-F171 HydrophobicContact CE2-CE1 4.09Å; F113-F171 HydrophobicContact CE2-CZ 4.21Å | ||
| 114 | P | 98.5 | Very high | 97.5 | Very high | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.006 | 23% | 0.232 | C | C | . | . | trans | -56.2 | 110 | 177.6 | -31.1 | 38.2 | 0 | 0 | 0 | 113.7 | G81 F82 L164 I167 I168 F171 | G81-P114 VanDerWaalsContact CA-O 3.25Å; G81-P114 WeakPolarHBondContact CA-O 3.31Å; F82-P114 PolarHBondContact N-O 2.96Å; P114-L164 HydrophobicContact CB-CD1 4.35Å; P114-I167 HydrophobicContact CB-CG2 3.84Å; P114-I167 HydrophobicContact CG-CG2 4.38Å; P114-I168 HydrophobicContact CB-CB 4.44Å; P114-I168 HydrophobicContact CB-CG1 3.59Å; P114-I168 HydrophobicContact CG-CG1 4.12Å; P114-F171 HydrophobicContact CG-CB 3.57Å; P114-F171 HydrophobicContact CG-CD1 3.82Å; P114-F171 HydrophobicContact CG-CD2 4.03Å; P114-F171 HydrophobicContact CG-CE1 4.48Å; P114-F171 HydrophobicContact CG-CG 3.54Å | ||
| 115 | M | 98.7 | Very high | 97.5 | Very high | 2 Ų | 2 | 53.1 Ų | 53.1 | 1% | 0.01 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 148.9 | 177.7 | -54.2 | -171.6 | -151.5 | 0 | 0 | 111.6 | F82 L84 I104 L105 F113 I144 | F82-M115 HydrophobicContact CB-CG 4.16Å; F82-M115 CarbonylContact O-C 3.56Å; F82-M115 VanDerWaalsContact O-CA 3.24Å; F82-M115 WeakPolarHBondContact O-CA 3.3Å; L84-M115 HydrophobicContact CD1-CB 4.47Å; L84-M115 HydrophobicContact CD1-SD 3.88Å; L84-M115 HydrophobicContact CD2-SD 4.45Å; L84-M115 HydrophobicContact CG-CB 4.47Å; L84-M115 HydrophobicContact CG-SD 4.33Å; I104-M115 HydrophobicContact CB-CE 3.83Å; I104-M115 HydrophobicContact CD1-SD 4.23Å; I104-M115 HydrophobicContact CG2-CE 3.4Å; I104-M115 HydrophobicContact CG2-SD 4.38Å; L105-M115 HydrophobicContact CD2-CE 3.62Å; L105-M115 HydrophobicContact CG-CE 3.92Å; F113-M115 HydrophobicContact CB-CE 3.8Å; F113-M115 WeakPolarHBondContact O-CG 3.1Å; F113-M115 PolarHBondContact O-N 2.82Å; M115-I144 HydrophobicContact CB-CG2 3.99Å |
| 116 | V | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 128.9 | 167.5 | -175.1 | 0 | 0 | 0 | 0 | 109.1 | F82 L83 L84 I118 H145 M147 E163 L164 I167 | F82-V116 PolarHBondContact O-N 3.27Å; L83-V116 HydrophobicContact CD2-CB 4.07Å; L84-V116 PolarHBondContact N-O 2.88Å; V116-I118 HydrophobicContact CB-CD1 4.31Å; V116-I118 HydrophobicContact CG1-CD1 3.51Å; V116-I118 HydrophobicContact CG1-CG1 4.45Å; V116-H145 HydrophobicContact CG1-CB 4.32Å; V116-H145 HydrophobicContact CG2-CB 4.45Å; V116-M147 HydrophobicContact CG1-CG 4.4Å; V116-M147 HydrophobicContact CG1-SD 4.18Å; V116-E163 HydrophobicContact CG2-CG 4.23Å; V116-L164 HydrophobicContact CG2-CB 3.93Å; V116-L164 HydrophobicContact CG2-CD1 4.14Å; V116-I167 HydrophobicContact CG2-CD1 3.55Å |
| 117 | L | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 124.4 | 173.3 | -176.7 | 70.3 | 0 | 0 | 0 | 110.6 | L84 F86 F94 V97 F138 A139 I144 H145 Y146 M147 | L84-L117 HydrophobicContact CB-CD1 4.05Å; F86-L117 HydrophobicContact CD1-CD1 3.9Å; F86-L117 HydrophobicContact CD1-CG 4.36Å; F86-L117 HydrophobicContact CE1-CD1 3.94Å; F86-L117 HydrophobicContact CE1-CD2 4.29Å; F86-L117 HydrophobicContact CE1-CG 3.91Å; F94-L117 HydrophobicContact CE2-CD2 4.5Å; V97-L117 HydrophobicContact CG1-CD1 3.52Å; L117-F138 HydrophobicContact CD1-CE1 4.38Å; L117-F138 HydrophobicContact CD2-CD1 3.75Å; L117-F138 HydrophobicContact CD2-CE1 4.29Å; L117-A139 HydrophobicContact CD2-CB 4.13Å; L117-I144 HydrophobicContact CB-CD1 3.88Å; L117-I144 HydrophobicContact CB-CG1 4.41Å; L117-H145 PolarHBondContact N-O 2.86Å; L117-Y146 HydrophobicContact CB-CD2 4.14Å; L117-Y146 HydrophobicContact CD2-CD2 3.71Å; L117-Y146 HydrophobicContact CD2-CE2 4.43Å; L117-Y146 HydrophobicContact CD2-CG 4.28Å; L117-Y146 HydrophobicContact CG-CD2 3.83Å; L117-Y146 WeakPolarHBondContact O-CA 3.3Å; L117-Y146 WeakPolarHBondContact O-CD2 3.36Å; L117-M147 PolarHBondContact O-N 2.79Å |
| 118 | I | 98.9 | Very high | 97.6 | Very high | 1 Ų | 1 | 57.1 Ų | 57.1 | 1% | 0.005 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 113.3 | -175.9 | -51.3 | -60.5 | 0 | 0 | 0 | 110.4 | L23 L83 L84 V85 F86 V116 N120 M147 A149 A160 | L23-I118 HydrophobicContact CD1-CG2 4.04Å; L83-I118 HydrophobicContact CD2-CD1 3.87Å; L83-I118 HydrophobicContact CD2-CG1 3.69Å; L84-I118 PolarHBondContact O-N 3.47Å; V85-I118 HydrophobicContact CG2-CB 4.27Å; F86-I118 WeakPolarHBondContact CD1-O 3.17Å; F86-I118 PolarHBondContact N-O 3.28Å; V116-I118 HydrophobicContact CB-CD1 4.31Å; V116-I118 HydrophobicContact CG1-CD1 3.51Å; V116-I118 HydrophobicContact CG1-CG1 4.45Å; I118-N120 PolarHBondContact O-N 3.24Å; I118-M147 WeakPolarHBondContact CA-O 3.4Å; I118-M147 HydrophobicContact CD1-CG 3.5Å; I118-M147 VanDerWaalsContact CD1-CG 3.5Å; I118-M147 HydrophobicContact CD1-SD 3.89Å; I118-A149 HydrophobicContact CG2-CB 3.78Å; I118-A160 HydrophobicContact CD1-CB 3.64Å; I118-A160 HydrophobicContact CG1-CB 4.46Å |
| 119 | G | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 92.7 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | L88 M147 E148 A149 | L88-G119 WeakPolarHBondContact CD1-O 3.4Å; G119-M147 PolarHBondContact N-O 3.35Å; G119-E148 CarbonylContact O-C 3.58Å; G119-E148 VanDerWaalsContact O-CA 3.27Å; G119-E148 WeakPolarHBondContact O-CA 3.48Å; G119-A149 PolarHBondContact O-N 2.89Å |
| 120 | N | 98.8 | Very high | 97.8 | Very high | 3 Ų | 3 | 51.2 Ų | 51.2 | 2% | 0.016 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 168.7 | -177.6 | -164.9 | 24.2 | 0 | 0 | 0 | 112.5 | V18 G19 L23 V85 F86 L88 I118 A149 A151 | V18-N120 PolarHBondContact O-ND2 3.34Å; G19-N120 PolarHBondContact O-ND2 3.48Å; L23-N120 HydrophobicContact CD1-CB 4.28Å; V85-N120 HydrophobicContact CG1-CB 3.95Å; F86-N120 WeakPolarHBondContact O-CB 3.31Å; F86-N120 PolarHBondContact O-N 3.36Å; L88-N120 WeakPolarHBondContact CG-O 3.47Å; L88-N120 PolarHBondContact N-O 3.41Å; I118-N120 PolarHBondContact O-N 3.24Å; N120-A149 CarbonylContact C-O 3.55Å; N120-A149 VanDerWaalsContact CA-O 3.31Å; N120-A149 WeakPolarHBondContact CA-O 3.3Å; N120-A149 PolarHBondContact OD1-O 3.27Å; N120-A151 PolarHBondContact OD1-N 3.03Å |
| 121 | K | 98.2 | Very high | 97.9 | Very high | 58 Ų | 58 | 48.2 Ų | 48.2 | 25% | 0.252 | 24% | 0.243 | S | C | . | . | trans | 64.7 | 36 | -177.7 | -47 | -173 | -170 | 174.5 | 0 | 113.3 | G17 A87 D123 L124 A149 | G17-K121 VanDerWaalsContact O-CE 3.32Å; G17-K121 WeakPolarHBondContact O-CE 3.36Å; G17-K121 PolarHBondContact O-NZ 3.24Å; A87-K121 HydrophobicContact CB-CD 3.96Å; A87-K121 HydrophobicContact CB-CG 4.3Å; K121-D123 WeakPolarHBondContact CA-OD1 3.45Å; K121-D123 PolarHBondContact O-N 2.93Å; K121-D123 VanDerWaalsContact O-N 3.1Å; K121-L124 HydrophobicContact CB-CD1 4.12Å; K121-L124 HydrophobicContact CB-CG 4.35Å; K121-L124 HydrophobicContact CD-CD1 4.15Å; K121-L124 WeakPolarHBondContact O-CB 3.41Å; K121-L124 PolarHBondContact O-N 2.78Å; K121-A149 PolarHBondContact N-O 3.47Å | ||
| 122 | A | 98.4 | Very high | 98.1 | Very high | 17 Ų | 17 | 46.9 Ų | 46.9 | 14% | 0.14 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -60.8 | -16.1 | 175 | 0 | 0 | 0 | 0 | 0 | 113.7 | L88 L124 E148 A149 Y155 | L88-A122 HydrophobicContact CD1-CB 3.82Å; A122-L124 PolarHBondContact O-N 2.93Å; A122-E148 HydrophobicContact CB-CB 4.19Å; A122-A149 WeakPolarHBondContact CB-O 3.42Å; A122-A149 PolarHBondContact N-O 2.85Å; A122-Y155 HydrophobicContact CB-CD1 4.42Å |
| 123 | D | 98.1 | Very high | 98.2 | Very high | 47 Ų | 47 | 49.4 Ų | 49.4 | 25% | 0.251 | 24% | 0.236 | S | C | . | . | G | 310 helix | trans | -68.4 | -17.7 | 170.7 | 59 | -75.2 | 0 | 0 | 0 | 113.7 | K121 E125 S150 K152 N153 | K121-D123 WeakPolarHBondContact CA-OD1 3.45Å; K121-D123 PolarHBondContact O-N 2.93Å; K121-D123 VanDerWaalsContact O-N 3.1Å; D123-E125 VanDerWaalsContact C-N 3.35Å; D123-E125 PolarHBondContact O-N 2.81Å; D123-S150 VanDerWaalsContact CG-OG 3.3Å; D123-S150 WeakPolarHBondContact OD1-CB 2.84Å; D123-S150 PolarHBondContact OD1-OG 2.85Å; D123-K152 VanDerWaalsContact OD2-CD 3.23Å; D123-K152 WeakPolarHBondContact OD2-CD 3.49Å; D123-K152 IonicContact OD2-NZ 3.22Å; D123-N153 WeakPolarHBondContact CB-ND2 3.49Å |
| 124 | L | 96.9 | Very high | 98.2 | Very high | 57 Ų | 57 | 51.3 Ų | 51.3 | 30% | 0.298 | 25% | 0.247 | S | C | . | . | G | 310 helix | trans | -96.7 | 44.3 | 179.7 | -57.4 | -178 | 0 | 0 | 0 | 112.2 | K121 A122 Q126 H127 R128 | K121-L124 HydrophobicContact CB-CD1 4.12Å; K121-L124 HydrophobicContact CB-CG 4.35Å; K121-L124 HydrophobicContact CD-CD1 4.15Å; K121-L124 WeakPolarHBondContact O-CB 3.41Å; K121-L124 PolarHBondContact O-N 2.78Å; A122-L124 PolarHBondContact O-N 2.93Å; L124-Q126 PolarHBondContact O-N 2.96Å; L124-Q126 VanDerWaalsContact O-N 3.14Å; L124-H127 HydrophobicContact CB-CB 4.4Å; L124-H127 CarbonylContact O-C 3.51Å; L124-H127 WeakPolarHBondContact O-CA 3.31Å; L124-H127 PolarHBondContact O-N 3.35Å; L124-R128 PolarHBondContact O-N 3.33Å |
| 125 | E | 96.7 | Very high | 98.2 | Very high | 100 Ų | 100 | 51.2 Ų | 51.2 | 47% | 0.467 | 25% | 0.247 | S | C | . | . | G | 310 helix | trans | -54.5 | -36.9 | -174.5 | -170.9 | 60 | -148.2 | 0 | 0 | 113.2 | D123 H127 R128 | D123-E125 VanDerWaalsContact C-N 3.35Å; D123-E125 PolarHBondContact O-N 2.81Å; E125-H127 PolarHBondContact O-N 3.11Å; E125-R128 VanDerWaalsContact CD-NE 3.26Å; E125-R128 VanDerWaalsContact O-CB 3.24Å; E125-R128 WeakPolarHBondContact O-CB 3.45Å; E125-R128 PolarHBondContact O-N 3.33Å; E125-R128 VanDerWaalsContact O-N 3.14Å; E125-R128 IonicContact OE1-CZ 2.74Å; E125-R128 IonicContact OE1-NE 3.02Å; E125-R128 PolarHBondContact OE1-NE 3.42Å; E125-R128 IonicContact OE1-NH2 3.07Å; E125-R128 IonicContact OE2-CZ 3.52Å; E125-R128 IonicContact OE2-NE 3.92Å; E125-R128 PolarHBondContact OE2-NE 3.06Å; E125-R128 VanDerWaalsContact OE2-NE 3.07Å; E125-R128 IonicContact OE2-NH2 2.68Å; E125-R128 PolarHBondContact OE2-NH2 3.03Å |
| 126 | Q | 97.4 | Very high | 98.2 | Very high | 190 Ų | 190 | 54.8 Ų | 54.8 | 89% | 0.888 | 26% | 0.264 | S | S | * | . | G | 310 helix | trans | -66.1 | -19.2 | 177.5 | -63.8 | -175.9 | -7.2 | 0 | 0 | 113.8 | L124 | L124-Q126 PolarHBondContact O-N 2.96Å; L124-Q126 VanDerWaalsContact O-N 3.14Å |
| 127 | H | 97.6 | Very high | 98.2 | Very high | 119 Ų | 119 | 56.8 Ų | 56.8 | 55% | 0.551 | 28% | 0.28 | S | S | * | . | G | 310 helix | trans | -106.1 | 8.5 | 178.3 | -60.2 | -70.7 | 0 | 0 | 0 | 112.4 | N89 L124 E125 V129 | N89-H127 VanDerWaalsContact CA-O 3.3Å; N89-H127 WeakPolarHBondContact CA-O 3.27Å; N89-H127 HydrophobicContact CB-CB 3.96Å; N89-H127 WeakPolarHBondContact CB-O 3.47Å; L124-H127 HydrophobicContact CB-CB 4.4Å; L124-H127 CarbonylContact O-C 3.51Å; L124-H127 WeakPolarHBondContact O-CA 3.31Å; L124-H127 PolarHBondContact O-N 3.35Å; E125-H127 PolarHBondContact O-N 3.11Å; H127-V129 PolarHBondContact O-N 3Å |
| 128 | R | 98.5 | Very high | 98.1 | Very high | 48 Ų | 48 | 57.8 Ų | 57.8 | 18% | 0.181 | 28% | 0.284 | C | S | . | . | trans | -59 | 128.9 | 178.6 | 178.2 | -175.3 | -69.7 | -85.8 | 3.3 | 110.5 | L88 L124 E125 I130 E148 | L88-R128 VanDerWaalsContact CD2-NH1 3.32Å; L124-R128 PolarHBondContact O-N 3.33Å; E125-R128 VanDerWaalsContact CD-NE 3.26Å; E125-R128 VanDerWaalsContact O-CB 3.24Å; E125-R128 WeakPolarHBondContact O-CB 3.45Å; E125-R128 PolarHBondContact O-N 3.33Å; E125-R128 VanDerWaalsContact O-N 3.14Å; E125-R128 IonicContact OE1-CZ 2.74Å; E125-R128 IonicContact OE1-NE 3.02Å; E125-R128 PolarHBondContact OE1-NE 3.42Å; E125-R128 IonicContact OE1-NH2 3.07Å; E125-R128 IonicContact OE2-CZ 3.52Å; E125-R128 IonicContact OE2-NE 3.92Å; E125-R128 PolarHBondContact OE2-NE 3.06Å; E125-R128 VanDerWaalsContact OE2-NE 3.07Å; E125-R128 IonicContact OE2-NH2 2.68Å; E125-R128 PolarHBondContact OE2-NH2 3.03Å; R128-I130 VanDerWaalsContact CD-O 3.3Å; R128-I130 WeakPolarHBondContact CD-O 3.45Å; R128-I130 WeakPolarHBondContact CG-O 3.25Å; R128-I130 PolarHBondContact NH1-O 3.35Å; R128-I130 VanDerWaalsContact NH1-O 3.17Å; R128-E148 IonicContact CZ-OE1 2.96Å; R128-E148 VanDerWaalsContact CZ-OE1 3.22Å; R128-E148 IonicContact CZ-OE2 2.61Å; R128-E148 IonicContact NH1-OE1 3.53Å; R128-E148 PolarHBondContact NH1-OE1 3.42Å; R128-E148 VanDerWaalsContact NH2-CD 3.31Å; R128-E148 IonicContact NH2-OE1 3.33Å; R128-E148 PolarHBondContact NH2-OE1 2.79Å; R128-E148 IonicContact NH2-OE2 2.66Å; R128-E148 PolarHBondContact NH2-OE2 2.84Å | ||
| 129 | V | 98.5 | Very high | 98.1 | Very high | 64 Ų | 64 | 57.8 Ų | 57.8 | 39% | 0.388 | 28% | 0.284 | S | S | . | . | trans | -120 | -10.7 | 173.6 | -57 | 0 | 0 | 0 | 0 | 113 | L88 N89 R91 H127 | L88-V129 PolarHBondContact O-N 3.39Å; N89-V129 VanDerWaalsContact C-CG2 3.46Å; R91-V129 HydrophobicContact CB-CG2 4.05Å; R91-V129 PolarHBondContact NH2-O 3.47Å; H127-V129 PolarHBondContact O-N 3Å | ||
| 130 | I | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -110.6 | 122.6 | 173.5 | -56.1 | -55.2 | 0 | 0 | 0 | 109.3 | F86 L88 R91 F94 R128 D134 A135 | F86-I130 HydrophobicContact CE2-CB 4.14Å; F86-I130 HydrophobicContact CE2-CG1 4.21Å; F86-I130 HydrophobicContact CE2-CG2 3.89Å; F86-I130 HydrophobicContact CZ-CG2 4.38Å; L88-I130 PolarHBondContact O-N 3.16Å; R91-I130 HydrophobicContact CB-CD1 3.81Å; R91-I130 HydrophobicContact CG-CD1 3.78Å; F94-I130 HydrophobicContact CB-CD1 4.06Å; F94-I130 HydrophobicContact CB-CG1 4.12Å; F94-I130 HydrophobicContact CD1-CD1 4.22Å; F94-I130 HydrophobicContact CD2-CG2 4.49Å; F94-I130 HydrophobicContact CG-CD1 4.3Å; F94-I130 HydrophobicContact CG-CG1 4.42Å; F94-I130 HydrophobicContact CG-CG2 4.42Å; R128-I130 VanDerWaalsContact CD-O 3.3Å; R128-I130 WeakPolarHBondContact CD-O 3.45Å; R128-I130 WeakPolarHBondContact CG-O 3.25Å; R128-I130 PolarHBondContact NH1-O 3.35Å; R128-I130 VanDerWaalsContact NH1-O 3.17Å; I130-D134 HydrophobicContact CG2-CB 4.48Å; I130-A135 HydrophobicContact CG2-CB 4.32Å |
| 131 | S | 98.1 | Very high | 98 | Very high | 34 Ų | 34 | 73.5 Ų | 73.5 | 24% | 0.238 | 35% | 0.35 | C | S | . | . | trans | -72.5 | 155.1 | 176.6 | 71.3 | 0 | 0 | 0 | 0 | 110.6 | E133 D134 A135 | S131-E133 WeakPolarHBondContact CB-OE2 3.26Å; S131-E133 PolarHBondContact O-N 3.48Å; S131-D134 PolarHBondContact O-N 2.74Å; S131-D134 VanDerWaalsContact OG-CB 3.31Å; S131-D134 WeakPolarHBondContact OG-CB 3.15Å; S131-D134 PolarHBondContact OG-N 2.83Å; S131-D134 PolarHBondContact OG-OD1 2.78Å; S131-D134 PolarHBondContact OG-OD2 3.17Å; S131-A135 PolarHBondContact O-N 2.67Å | ||
| 132 | R | 97.7 | Very high | 98 | Very high | 133 Ų | 133 | 73.1 Ų | 73.1 | 50% | 0.502 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62.6 | -35.9 | 173.4 | -76.7 | 175.8 | 174.6 | -180 | -0.6 | 110.7 | Q136 E148 | R132-Q136 WeakPolarHBondContact O-CB 3.34Å; R132-Q136 PolarHBondContact O-N 3.18Å; R132-E148 WeakPolarHBondContact CG-OE1 3.47Å; R132-E148 IonicContact CZ-OE2 3.1Å; R132-E148 VanDerWaalsContact CZ-OE2 3.31Å; R132-E148 IonicContact NE-OE1 3.94Å; R132-E148 PolarHBondContact NE-OE1 3.19Å; R132-E148 IonicContact NE-OE2 3.72Å; R132-E148 PolarHBondContact NE-OE2 3.13Å; R132-E148 IonicContact NH2-OE2 2.74Å; R132-E148 PolarHBondContact NH2-OE2 2.88Å |
| 133 | E | 98.2 | Very high | 97.9 | Very high | 132 Ų | 132 | 81 Ų | 81 | 62% | 0.617 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -63.8 | -44.1 | -179.2 | -64 | 70.7 | -155 | 0 | 0 | 111.6 | S131 A137 | S131-E133 WeakPolarHBondContact CB-OE2 3.26Å; S131-E133 PolarHBondContact O-N 3.48Å; E133-A137 WeakPolarHBondContact O-CB 3.29Å; E133-A137 PolarHBondContact O-N 3.19Å |
| 134 | D | 97.9 | Very high | 97.9 | Very high | 71 Ų | 71 | 79.6 Ų | 79.6 | 38% | 0.38 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63.7 | -48.7 | 179 | -72.1 | -2.9 | 0 | 0 | 0 | 110.7 | R91 I130 S131 A137 F138 | R91-D134 IonicContact NH2-OD2 2.8Å; I130-D134 HydrophobicContact CG2-CB 4.48Å; S131-D134 PolarHBondContact O-N 2.74Å; S131-D134 VanDerWaalsContact OG-CB 3.31Å; S131-D134 WeakPolarHBondContact OG-CB 3.15Å; S131-D134 PolarHBondContact OG-N 2.83Å; S131-D134 PolarHBondContact OG-OD1 2.78Å; S131-D134 PolarHBondContact OG-OD2 3.17Å; D134-A137 PolarHBondContact O-N 3.38Å; D134-F138 PolarHBondContact O-N 2.95Å; D134-F138 VanDerWaalsContact O-N 3.12Å |
| 135 | A | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 80.6 Ų | 80.6 | 0% | 0 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -65.6 | -42.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | F86 F94 I130 S131 A137 F138 A139 Y146 | F86-A135 HydrophobicContact CZ-CB 3.91Å; F94-A135 HydrophobicContact CE2-CB 4.17Å; F94-A135 HydrophobicContact CZ-CB 4.43Å; I130-A135 HydrophobicContact CG2-CB 4.32Å; S131-A135 PolarHBondContact O-N 2.67Å; A135-A137 VanDerWaalsContact C-N 3.34Å; A135-A137 PolarHBondContact O-N 2.8Å; A135-F138 PolarHBondContact O-N 2.97Å; A135-A139 WeakPolarHBondContact O-CB 3.27Å; A135-A139 PolarHBondContact O-N 2.92Å; A135-Y146 HydrophobicContact CB-CD1 4.38Å; A135-Y146 HydrophobicContact CB-CD2 4.21Å; A135-Y146 HydrophobicContact CB-CE1 3.8Å; A135-Y146 HydrophobicContact CB-CE2 3.63Å |
| 136 | Q | 98.4 | Very high | 98 | Very high | 77 Ų | 77 | 76.8 Ų | 76.8 | 36% | 0.36 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -67.1 | -34 | 176.7 | -171.7 | 68 | 65.1 | 0 | 0 | 112.3 | R132 R140 Y146 | R132-Q136 WeakPolarHBondContact O-CB 3.34Å; R132-Q136 PolarHBondContact O-N 3.18Å; Q136-R140 WeakPolarHBondContact O-CB 3.18Å; Q136-R140 VanDerWaalsContact O-CG 3.32Å; Q136-R140 WeakPolarHBondContact O-CG 3.45Å; Q136-R140 PolarHBondContact O-N 2.8Å; Q136-R140 PolarHBondContact O-NE 3.07Å; Q136-Y146 HydrophobicContact CB-CD1 4.24Å |
| 137 | A | 98.6 | Very high | 98 | Very high | 42 Ų | 42 | 68.9 Ų | 68.9 | 35% | 0.347 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -63.3 | -50.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | E133 D134 A135 A139 R140 E141 | E133-A137 WeakPolarHBondContact O-CB 3.29Å; E133-A137 PolarHBondContact O-N 3.19Å; D134-A137 PolarHBondContact O-N 3.38Å; A135-A137 VanDerWaalsContact C-N 3.34Å; A135-A137 PolarHBondContact O-N 2.8Å; A137-A139 VanDerWaalsContact C-N 3.32Å; A137-A139 PolarHBondContact O-N 2.89Å; A137-R140 PolarHBondContact O-N 2.96Å; A137-E141 WeakPolarHBondContact O-CB 3.44Å; A137-E141 PolarHBondContact O-N 3.01Å |
| 138 | F | 98.4 | Very high | 98.1 | Very high | 21 Ų | 21 | 63.7 Ų | 63.7 | 9% | 0.092 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -57.6 | -44.8 | 175.5 | 173.4 | -100.4 | 0 | 0 | 0 | 111.8 | F94 Q98 H101 L117 D134 A135 R140 E141 N142 I144 | F94-F138 HydrophobicContact CZ-CB 4.04Å; F94-F138 HydrophobicContact CZ-CG 4.39Å; Q98-F138 HydrophobicContact CB-CE2 4.07Å; Q98-F138 HydrophobicContact CB-CZ 4.18Å; Q98-F138 HydrophobicContact CG-CD2 3.93Å; Q98-F138 HydrophobicContact CG-CE1 4.26Å; Q98-F138 HydrophobicContact CG-CE2 3.59Å; Q98-F138 HydrophobicContact CG-CG 4.41Å; Q98-F138 HydrophobicContact CG-CZ 3.78Å; H101-F138 HydrophobicContact CB-CZ 4.16Å; L117-F138 HydrophobicContact CD1-CE1 4.38Å; L117-F138 HydrophobicContact CD2-CD1 3.75Å; L117-F138 HydrophobicContact CD2-CE1 4.29Å; D134-F138 PolarHBondContact O-N 2.95Å; D134-F138 VanDerWaalsContact O-N 3.12Å; A135-F138 PolarHBondContact O-N 2.97Å; F138-R140 PolarHBondContact O-N 2.74Å; F138-E141 PolarHBondContact O-N 3.04Å; F138-N142 VanDerWaalsContact CD2-ND2 3.29Å; F138-N142 WeakPolarHBondContact CD2-ND2 2.96Å; F138-N142 WeakPolarHBondContact CE2-ND2 3.19Å; F138-N142 PolarHBondContact O-N 3.34Å; F138-N142 VanDerWaalsContact O-N 3.11Å; F138-N142 PolarHBondContact O-ND2 2.66Å; F138-I144 HydrophobicContact CD1-CD1 4.37Å; F138-I144 HydrophobicContact CE1-CD1 3.8Å |
| 139 | A | 98.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.9 | -43.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | L117 A135 A137 N142 K143 I144 Y146 | L117-A139 HydrophobicContact CD2-CB 4.13Å; A135-A139 WeakPolarHBondContact O-CB 3.27Å; A135-A139 PolarHBondContact O-N 2.92Å; A137-A139 VanDerWaalsContact C-N 3.32Å; A137-A139 PolarHBondContact O-N 2.89Å; A139-N142 CarbonylContact O-C 3.37Å; A139-N142 PolarHBondContact O-N 2.88Å; A139-K143 PolarHBondContact O-N 2.9Å; A139-I144 HydrophobicContact CB-CG1 4.09Å; A139-I144 WeakPolarHBondContact CB-O 3.33Å; A139-I144 PolarHBondContact O-N 2.87Å; A139-Y146 VanDerWaalsContact CB-CB 3.49Å; A139-Y146 HydrophobicContact CB-CG 4.42Å |
| 140 | R | 98.2 | Very high | 98.1 | Very high | 175 Ų | 175 | 58.5 Ų | 58.5 | 66% | 0.66 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -64.8 | -44.2 | 176.3 | -76.9 | -175 | -61.9 | 172.5 | 1.2 | 112.6 | Q136 A137 F138 N142 K143 | Q136-R140 WeakPolarHBondContact O-CB 3.18Å; Q136-R140 VanDerWaalsContact O-CG 3.32Å; Q136-R140 WeakPolarHBondContact O-CG 3.45Å; Q136-R140 PolarHBondContact O-N 2.8Å; Q136-R140 PolarHBondContact O-NE 3.07Å; A137-R140 PolarHBondContact O-N 2.96Å; F138-R140 PolarHBondContact O-N 2.74Å; R140-N142 PolarHBondContact O-N 2.79Å; R140-K143 PolarHBondContact O-N 2.92Å |
| 141 | E | 97.9 | Very high | 98 | Very high | 159 Ų | 159 | 58.7 Ų | 58.7 | 74% | 0.743 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -59.9 | -37.9 | 179.1 | -176 | 173.2 | -164.5 | 0 | 0 | 111.6 | A137 F138 | A137-E141 WeakPolarHBondContact O-CB 3.44Å; A137-E141 PolarHBondContact O-N 3.01Å; F138-E141 PolarHBondContact O-N 3.04Å |
| 142 | N | 97.7 | Very high | 97.9 | Very high | 49 Ų | 49 | 62.7 Ų | 62.7 | 26% | 0.262 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98 | 6.2 | -177.5 | -64.1 | -84.3 | 0 | 0 | 0 | 113.8 | H101 F138 A139 R140 I144 | H101-N142 PolarHBondContact CE1-OD1 3.12Å; F138-N142 VanDerWaalsContact CD2-ND2 3.29Å; F138-N142 WeakPolarHBondContact CD2-ND2 2.96Å; F138-N142 WeakPolarHBondContact CE2-ND2 3.19Å; F138-N142 PolarHBondContact O-N 3.34Å; F138-N142 VanDerWaalsContact O-N 3.11Å; F138-N142 PolarHBondContact O-ND2 2.66Å; A139-N142 CarbonylContact O-C 3.37Å; A139-N142 PolarHBondContact O-N 2.88Å; R140-N142 PolarHBondContact O-N 2.79Å; N142-I144 HydrophobicContact CB-CG1 4.4Å; N142-I144 PolarHBondContact O-N 2.61Å |
| 143 | K | 96.1 | Very high | 97.8 | Very high | 184 Ų | 184 | 61.3 Ų | 61.3 | 80% | 0.8 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.7 | 31.9 | -179.9 | -51.9 | 173.5 | -172.5 | 168.6 | 0 | 114.3 | A139 R140 | A139-K143 PolarHBondContact O-N 2.9Å; R140-K143 PolarHBondContact O-N 2.92Å |
| 144 | I | 97.1 | Very high | 97.6 | Very high | 16 Ų | 16 | 59.4 Ų | 59.4 | 8% | 0.082 | 28% | 0.276 | C | S | . | . | trans | -103.7 | 148.6 | 175.5 | 61.8 | 178.9 | 0 | 0 | 0 | 110.3 | L84 M115 L117 F138 A139 N142 | L84-I144 HydrophobicContact CD1-CD1 4.23Å; M115-I144 HydrophobicContact CB-CG2 3.99Å; L117-I144 HydrophobicContact CB-CD1 3.88Å; L117-I144 HydrophobicContact CB-CG1 4.41Å; F138-I144 HydrophobicContact CD1-CD1 4.37Å; F138-I144 HydrophobicContact CE1-CD1 3.8Å; A139-I144 HydrophobicContact CB-CG1 4.09Å; A139-I144 WeakPolarHBondContact CB-O 3.33Å; A139-I144 PolarHBondContact O-N 2.87Å; N142-I144 HydrophobicContact CB-CG1 4.4Å; N142-I144 PolarHBondContact O-N 2.61Å | ||
| 145 | H | 97.8 | Very high | 97.6 | Very high | 79 Ų | 79 | 61.5 Ų | 61.5 | 37% | 0.366 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 144.7 | 174.2 | -167.1 | 82.9 | 0 | 0 | 0 | 110 | V116 L117 I167 | V116-H145 HydrophobicContact CG1-CB 4.32Å; V116-H145 HydrophobicContact CG2-CB 4.45Å; L117-H145 PolarHBondContact N-O 2.86Å; H145-I167 HydrophobicContact CB-CD1 4.02Å |
| 146 | Y | 98.7 | Very high | 97.6 | Very high | 19 Ų | 19 | 63 Ų | 63 | 8% | 0.075 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 135.5 | 175.7 | 167.4 | -115.7 | 0 | 0 | 0 | 110.9 | F86 L117 A135 Q136 A139 E148 | F86-Y146 HydrophobicContact CE1-CE2 4.06Å; F86-Y146 HydrophobicContact CZ-CE2 4.05Å; L117-Y146 HydrophobicContact CB-CD2 4.14Å; L117-Y146 HydrophobicContact CD2-CD2 3.71Å; L117-Y146 HydrophobicContact CD2-CE2 4.43Å; L117-Y146 HydrophobicContact CD2-CG 4.28Å; L117-Y146 HydrophobicContact CG-CD2 3.83Å; L117-Y146 WeakPolarHBondContact O-CA 3.3Å; L117-Y146 WeakPolarHBondContact O-CD2 3.36Å; A135-Y146 HydrophobicContact CB-CD1 4.38Å; A135-Y146 HydrophobicContact CB-CD2 4.21Å; A135-Y146 HydrophobicContact CB-CE1 3.8Å; A135-Y146 HydrophobicContact CB-CE2 3.63Å; Q136-Y146 HydrophobicContact CB-CD1 4.24Å; A139-Y146 VanDerWaalsContact CB-CB 3.49Å; A139-Y146 HydrophobicContact CB-CG 4.42Å; Y146-E148 HydrophobicContact CE1-CG 4.44Å; Y146-E148 HydrophobicContact CE2-CG 4.49Å; Y146-E148 WeakPolarHBondContact OH-CG 3.49Å; Y146-E148 PolarHBondContact OH-OE1 3.38Å |
| 147 | M | 98.5 | Very high | 97.6 | Very high | 24 Ų | 24 | 59.4 Ų | 59.4 | 12% | 0.118 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 153.9 | 170.3 | 68 | -161.6 | -36.5 | 0 | 0 | 111.6 | V116 L117 I118 G119 N156 E159 A160 | V116-M147 HydrophobicContact CG1-CG 4.4Å; V116-M147 HydrophobicContact CG1-SD 4.18Å; L117-M147 PolarHBondContact O-N 2.79Å; I118-M147 WeakPolarHBondContact CA-O 3.4Å; I118-M147 HydrophobicContact CD1-CG 3.5Å; I118-M147 VanDerWaalsContact CD1-CG 3.5Å; I118-M147 HydrophobicContact CD1-SD 3.89Å; G119-M147 PolarHBondContact N-O 3.35Å; M147-N156 HydrophobicContact CE-CB 4.13Å; M147-E159 HydrophobicContact CE-CB 3.77Å; M147-A160 VanDerWaalsContact SD-CA 3.55Å; M147-A160 HydrophobicContact SD-CB 3.88Å |
| 148 | E | 98.7 | Very high | 97.5 | Very high | 11 Ų | 11 | 58.8 Ų | 58.8 | 5% | 0.051 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 142.7 | 170.6 | -64.2 | -170.8 | 156.4 | 0 | 0 | 110 | L88 G119 A122 R128 R132 Y146 Y155 N156 | L88-E148 HydrophobicContact CD1-CB 4.36Å; L88-E148 HydrophobicContact CD1-CG 4.11Å; G119-E148 CarbonylContact O-C 3.58Å; G119-E148 VanDerWaalsContact O-CA 3.27Å; G119-E148 WeakPolarHBondContact O-CA 3.48Å; A122-E148 HydrophobicContact CB-CB 4.19Å; R128-E148 IonicContact CZ-OE1 2.96Å; R128-E148 VanDerWaalsContact CZ-OE1 3.22Å; R128-E148 IonicContact CZ-OE2 2.61Å; R128-E148 IonicContact NH1-OE1 3.53Å; R128-E148 PolarHBondContact NH1-OE1 3.42Å; R128-E148 VanDerWaalsContact NH2-CD 3.31Å; R128-E148 IonicContact NH2-OE1 3.33Å; R128-E148 PolarHBondContact NH2-OE1 2.79Å; R128-E148 IonicContact NH2-OE2 2.66Å; R128-E148 PolarHBondContact NH2-OE2 2.84Å; R132-E148 WeakPolarHBondContact CG-OE1 3.47Å; R132-E148 IonicContact CZ-OE2 3.1Å; R132-E148 VanDerWaalsContact CZ-OE2 3.31Å; R132-E148 IonicContact NE-OE1 3.94Å; R132-E148 PolarHBondContact NE-OE1 3.19Å; R132-E148 IonicContact NE-OE2 3.72Å; R132-E148 PolarHBondContact NE-OE2 3.13Å; R132-E148 IonicContact NH2-OE2 2.74Å; R132-E148 PolarHBondContact NH2-OE2 2.88Å; Y146-E148 HydrophobicContact CE1-CG 4.44Å; Y146-E148 HydrophobicContact CE2-CG 4.49Å; Y146-E148 WeakPolarHBondContact OH-CG 3.49Å; Y146-E148 PolarHBondContact OH-OE1 3.38Å; E148-Y155 WeakPolarHBondContact O-CE1 3.42Å; E148-N156 VanDerWaalsContact O-CB 3.26Å; E148-N156 WeakPolarHBondContact O-CB 3.44Å; E148-N156 PolarHBondContact O-ND2 3.1Å |
| 149 | A | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 28% | 0.278 | C | S | . | . | trans | -135 | 159.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L23 I118 G119 N120 K121 A122 Y155 N156 | L23-A149 HydrophobicContact CD2-CB 4.08Å; I118-A149 HydrophobicContact CG2-CB 3.78Å; G119-A149 PolarHBondContact O-N 2.89Å; N120-A149 CarbonylContact C-O 3.55Å; N120-A149 VanDerWaalsContact CA-O 3.31Å; N120-A149 WeakPolarHBondContact CA-O 3.3Å; N120-A149 PolarHBondContact OD1-O 3.27Å; K121-A149 PolarHBondContact N-O 3.47Å; A122-A149 WeakPolarHBondContact CB-O 3.42Å; A122-A149 PolarHBondContact N-O 2.85Å; A149-Y155 CarbonylContact C-O 3.58Å; A149-Y155 VanDerWaalsContact CA-O 3.25Å; A149-Y155 WeakPolarHBondContact CA-O 3.24Å; A149-Y155 WeakPolarHBondContact CB-O 3.16Å; A149-N156 HydrophobicContact CB-CB 4.26Å | ||
| 150 | S | 98.3 | Very high | 97.5 | Very high | 2 Ų | 2 | 62.2 Ų | 62.2 | 1% | 0.014 | 28% | 0.279 | C | S | . | . | B | Isolated β-bridge | trans | -134 | 108.1 | 165.4 | 173.2 | 0 | 0 | 0 | 0 | 108.7 | D123 K152 N153 R154 Y155 | D123-S150 VanDerWaalsContact CG-OG 3.3Å; D123-S150 WeakPolarHBondContact OD1-CB 2.84Å; D123-S150 PolarHBondContact OD1-OG 2.85Å; S150-K152 PolarHBondContact O-N 2.85Å; S150-K152 PolarHBondContact OG-N 3.47Å; S150-N153 PolarHBondContact O-N 2.69Å; S150-N153 PolarHBondContact OG-N 3.32Å; S150-N153 VanDerWaalsContact OG-N 3.11Å; S150-R154 CarbonylContact O-C 3.53Å; S150-R154 WeakPolarHBondContact O-CA 3.21Å; S150-R154 PolarHBondContact O-N 3.21Å; S150-Y155 PolarHBondContact N-O 2.96Å; S150-Y155 PolarHBondContact O-N 3.4Å |
| 151 | A | 96.8 | Very high | 97.5 | Very high | 4 Ų | 4 | 54 Ų | 54 | 3% | 0.033 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -39.7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | A22 L23 Q26 F32 N120 R154 | A22-A151 HydrophobicContact CB-CB 3.71Å; L23-A151 HydrophobicContact CD2-CB 3.91Å; L23-A151 HydrophobicContact CG-CB 4.13Å; Q26-A151 WeakPolarHBondContact CG-O 3.43Å; Q26-A151 PolarHBondContact NE2-O 3.26Å; F32-A151 HydrophobicContact CE2-CB 4.35Å; N120-A151 PolarHBondContact OD1-N 3.03Å; A151-R154 PolarHBondContact O-N 3.33Å |
| 152 | K | 95.1 | Very high | 97.5 | Very high | 118 Ų | 118 | 49.3 Ų | 49.3 | 51% | 0.513 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -47.3 | -179.5 | -176 | -174.2 | -178.9 | 179.1 | 0 | 112.5 | F32 D123 S150 | F32-K152 HydrophobicContact CE2-CB 4.25Å; F32-K152 HydrophobicContact CZ-CB 4.36Å; D123-K152 VanDerWaalsContact OD2-CD 3.23Å; D123-K152 WeakPolarHBondContact OD2-CD 3.49Å; D123-K152 IonicContact OD2-NZ 3.22Å; S150-K152 PolarHBondContact O-N 2.85Å; S150-K152 PolarHBondContact OG-N 3.47Å |
| 153 | N | 95.3 | Very high | 97.6 | Very high | 105 Ų | 105 | 49 Ų | 49 | 56% | 0.561 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | 1.9 | -176.2 | -64.9 | -8.7 | 0 | 0 | 0 | 113.2 | D123 S150 Y155 | D123-N153 WeakPolarHBondContact CB-ND2 3.49Å; S150-N153 PolarHBondContact O-N 2.69Å; S150-N153 PolarHBondContact OG-N 3.32Å; S150-N153 VanDerWaalsContact OG-N 3.11Å; N153-Y155 PolarHBondContact O-N 2.97Å |
| 154 | R | 95.4 | Very high | 97.7 | Very high | 92 Ų | 92 | 40.2 Ų | 40.2 | 35% | 0.347 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.2 | 30.9 | -168.9 | -160.2 | 178.3 | 174.6 | 167.2 | 3.9 | 113.1 | Q26 S30 S150 A151 V157 D158 | Q26-R154 HydrophobicContact CG-CB 4.16Å; Q26-R154 HydrophobicContact CG-CG 3.91Å; S30-R154 PolarHBondContact OG-NH1 2.71Å; S30-R154 PolarHBondContact OG-NH2 3.46Å; S150-R154 CarbonylContact O-C 3.53Å; S150-R154 WeakPolarHBondContact O-CA 3.21Å; S150-R154 PolarHBondContact O-N 3.21Å; A151-R154 PolarHBondContact O-N 3.33Å; R154-V157 HydrophobicContact CG-CB 4.12Å; R154-V157 HydrophobicContact CG-CG2 4.29Å; R154-D158 IonicContact CZ-OD1 2.89Å; R154-D158 IonicContact CZ-OD2 3.19Å; R154-D158 IonicContact NE-OD1 3.97Å; R154-D158 IonicContact NE-OD2 3.87Å; R154-D158 PolarHBondContact NE-OD2 2.62Å; R154-D158 IonicContact NH2-OD1 4Å; R154-D158 PolarHBondContact NH2-OD1 2.8Å; R154-D158 IonicContact NH2-OD2 2.84Å; R154-D158 PolarHBondContact NH2-OD2 3.21Å |
| 155 | Y | 98.1 | Very high | 97.8 | Very high | 115 Ų | 115 | 39.4 Ų | 39.4 | 45% | 0.451 | 18% | 0.181 | S | C | . | . | B | Isolated β-bridge | trans | -80.1 | 123.5 | 176.7 | 175.3 | -112.5 | 0 | 0 | 0 | 109.6 | A122 E148 A149 S150 N153 V157 | A122-Y155 HydrophobicContact CB-CD1 4.42Å; E148-Y155 WeakPolarHBondContact O-CE1 3.42Å; A149-Y155 CarbonylContact C-O 3.58Å; A149-Y155 VanDerWaalsContact CA-O 3.25Å; A149-Y155 WeakPolarHBondContact CA-O 3.24Å; A149-Y155 WeakPolarHBondContact CB-O 3.16Å; S150-Y155 PolarHBondContact N-O 2.96Å; S150-Y155 PolarHBondContact O-N 3.4Å; N153-Y155 PolarHBondContact O-N 2.97Å; Y155-V157 PolarHBondContact O-N 2.87Å; Y155-V157 VanDerWaalsContact O-N 3.12Å |
| 156 | N | 98.4 | Very high | 97.8 | Very high | 32 Ų | 32 | 38.2 Ų | 38.2 | 17% | 0.171 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.4 | 22.8 | 179.9 | -69.8 | -14.3 | 0 | 0 | 0 | 114.9 | M147 E148 A149 E159 A160 | M147-N156 HydrophobicContact CE-CB 4.13Å; E148-N156 VanDerWaalsContact O-CB 3.26Å; E148-N156 WeakPolarHBondContact O-CB 3.44Å; E148-N156 PolarHBondContact O-ND2 3.1Å; A149-N156 HydrophobicContact CB-CB 4.26Å; N156-E159 WeakPolarHBondContact CA-OE2 3.46Å; N156-A160 WeakPolarHBondContact O-CB 3.44Å; N156-A160 PolarHBondContact O-N 2.86Å |
| 157 | V | 97.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -73.8 | -55.3 | -178.5 | 174.7 | 0 | 0 | 0 | 0 | 109.6 | L23 Q26 F27 R154 Y155 E159 A160 F161 | L23-V157 HydrophobicContact CD2-CG2 3.84Å; Q26-V157 HydrophobicContact CB-CG1 4.16Å; Q26-V157 HydrophobicContact CG-CG1 4.09Å; Q26-V157 HydrophobicContact CG-CG2 4.23Å; F27-V157 HydrophobicContact CB-CG1 3.84Å; R154-V157 HydrophobicContact CG-CB 4.12Å; R154-V157 HydrophobicContact CG-CG2 4.29Å; Y155-V157 PolarHBondContact O-N 2.87Å; Y155-V157 VanDerWaalsContact O-N 3.12Å; V157-E159 VanDerWaalsContact C-N 3.33Å; V157-E159 PolarHBondContact O-N 2.87Å; V157-A160 PolarHBondContact O-N 3.34Å; V157-F161 VanDerWaalsContact O-CD2 3.27Å; V157-F161 WeakPolarHBondContact O-CD2 3.42Å |
| 158 | D | 96.7 | Very high | 97.7 | Very high | 29 Ų | 29 | 37.6 Ų | 37.6 | 16% | 0.155 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63.4 | -41.9 | 179.9 | -62 | -110.5 | 0 | 0 | 0 | 110.8 | F27 R154 A160 F161 M162 | F27-D158 HydrophobicContact CD2-CB 4.37Å; F27-D158 HydrophobicContact CE2-CB 4.4Å; R154-D158 IonicContact CZ-OD1 2.89Å; R154-D158 IonicContact CZ-OD2 3.19Å; R154-D158 IonicContact NE-OD1 3.97Å; R154-D158 IonicContact NE-OD2 3.87Å; R154-D158 PolarHBondContact NE-OD2 2.62Å; R154-D158 IonicContact NH2-OD1 4Å; R154-D158 PolarHBondContact NH2-OD1 2.8Å; R154-D158 IonicContact NH2-OD2 2.84Å; R154-D158 PolarHBondContact NH2-OD2 3.21Å; D158-A160 VanDerWaalsContact C-N 3.31Å; D158-A160 PolarHBondContact O-N 3.14Å; D158-F161 PolarHBondContact O-N 2.93Å; D158-M162 HydrophobicContact CB-CE 4.07Å; D158-M162 VanDerWaalsContact O-CG 3.27Å; D158-M162 WeakPolarHBondContact O-CG 3.39Å; D158-M162 PolarHBondContact O-N 3.46Å |
| 159 | E | 98.1 | Very high | 97.6 | Very high | 92 Ų | 92 | 38.4 Ų | 38.4 | 43% | 0.43 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -60.2 | -37.5 | 179.1 | -65.1 | 78.9 | -179.4 | 0 | 0 | 112.4 | M147 N156 V157 F161 M162 E163 | M147-E159 HydrophobicContact CE-CB 3.77Å; N156-E159 WeakPolarHBondContact CA-OE2 3.46Å; V157-E159 VanDerWaalsContact C-N 3.33Å; V157-E159 PolarHBondContact O-N 2.87Å; E159-F161 PolarHBondContact O-N 3.11Å; E159-M162 PolarHBondContact O-N 3.33Å; E159-E163 VanDerWaalsContact O-CB 3.25Å; E159-E163 WeakPolarHBondContact O-CB 3.1Å; E159-E163 PolarHBondContact O-N 2.88Å |
| 160 | A | 98.4 | Very high | 97.5 | Very high | 2 Ų | 2 | 44 Ų | 44 | 2% | 0.017 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.1 | -44.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | L83 I118 M147 N156 V157 D158 L164 | L83-A160 HydrophobicContact CD2-CB 4.1Å; I118-A160 HydrophobicContact CD1-CB 3.64Å; I118-A160 HydrophobicContact CG1-CB 4.46Å; M147-A160 VanDerWaalsContact SD-CA 3.55Å; M147-A160 HydrophobicContact SD-CB 3.88Å; N156-A160 WeakPolarHBondContact O-CB 3.44Å; N156-A160 PolarHBondContact O-N 2.86Å; V157-A160 PolarHBondContact O-N 3.34Å; D158-A160 VanDerWaalsContact C-N 3.31Å; D158-A160 PolarHBondContact O-N 3.14Å; A160-L164 PolarHBondContact O-N 2.94Å |
| 161 | F | 98.4 | Very high | 97.4 | Very high | 2 Ų | 2 | 44.8 Ų | 44.8 | 1% | 0.009 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -73.7 | -39 | 178.6 | -68.5 | -90.5 | 0 | 0 | 0 | 111.6 | L10 V12 F27 I59 L83 V157 D158 E159 L164 V165 | L10-F161 HydrophobicContact CD1-CD1 4.03Å; V12-F161 HydrophobicContact CG2-CE1 4.12Å; V12-F161 HydrophobicContact CG2-CZ 4.39Å; F27-F161 HydrophobicContact CB-CD2 3.78Å; F27-F161 HydrophobicContact CB-CE2 3.58Å; F27-F161 HydrophobicContact CB-CZ 4.25Å; F27-F161 HydrophobicContact CD1-CB 4.15Å; F27-F161 AromaticContact CD1-CD1 3.9Å; F27-F161 HydrophobicContact CD1-CD1 3.9Å; F27-F161 AromaticContact CD1-CD2 3.64Å; F27-F161 HydrophobicContact CD1-CD2 3.64Å; F27-F161 HydrophobicContact CD1-CE1 4.19Å; F27-F161 AromaticContact CD1-CE2 3.98Å; F27-F161 HydrophobicContact CD1-CE2 3.98Å; F27-F161 AromaticContact CD1-CG 3.62Å; F27-F161 HydrophobicContact CD1-CG 3.62Å; F27-F161 HydrophobicContact CD1-CZ 4.24Å; F27-F161 HydrophobicContact CD2-CB 4.37Å; F27-F161 AromaticContact CD2-CD2 3.86Å; F27-F161 HydrophobicContact CD2-CD2 3.86Å; F27-F161 HydrophobicContact CD2-CG 4.29Å; F27-F161 HydrophobicContact CE1-CB 3.73Å; F27-F161 AromaticContact CE1-CD1 3.98Å; F27-F161 HydrophobicContact CE1-CD1 3.98Å; F27-F161 HydrophobicContact CE1-CD2 4.12Å; F27-F161 AromaticContact CE1-CG 3.68Å; F27-F161 HydrophobicContact CE1-CG 3.68Å; F27-F161 HydrophobicContact CE2-CB 3.98Å; F27-F161 HydrophobicContact CE2-CD2 4.33Å; F27-F161 HydrophobicContact CE2-CG 4.35Å; F27-F161 HydrophobicContact CG-CB 4.45Å; F27-F161 AromaticContact CG-CD2 3.48Å; F27-F161 HydrophobicContact CG-CD2 3.48Å; F27-F161 VanDerWaalsContact CG-CD2 3.48Å; F27-F161 AromaticContact CG-CE2 3.8Å; F27-F161 HydrophobicContact CG-CE2 3.8Å; F27-F161 AromaticContact CG-CG 3.93Å; F27-F161 HydrophobicContact CG-CG 3.93Å; F27-F161 HydrophobicContact CG-CZ 4.46Å; F27-F161 HydrophobicContact CZ-CB 3.63Å; F27-F161 HydrophobicContact CZ-CD2 4.44Å; F27-F161 HydrophobicContact CZ-CG 4.06Å; I59-F161 HydrophobicContact CD1-CD1 4.06Å; I59-F161 HydrophobicContact CD1-CE1 3.98Å; I59-F161 HydrophobicContact CG2-CE1 4Å; L83-F161 HydrophobicContact CD1-CD1 3.46Å; L83-F161 VanDerWaalsContact CD1-CD1 3.46Å; L83-F161 HydrophobicContact CD1-CD2 4.31Å; L83-F161 HydrophobicContact CD1-CE1 3.26Å; L83-F161 HydrophobicContact CD1-CE2 4.14Å; L83-F161 HydrophobicContact CD1-CG 3.99Å; L83-F161 HydrophobicContact CD1-CZ 3.63Å; V157-F161 VanDerWaalsContact O-CD2 3.27Å; V157-F161 WeakPolarHBondContact O-CD2 3.42Å; D158-F161 PolarHBondContact O-N 2.93Å; E159-F161 PolarHBondContact O-N 3.11Å; F161-L164 PolarHBondContact O-N 2.84Å; F161-V165 WeakPolarHBondContact O-CG2 3.33Å; F161-V165 PolarHBondContact O-N 3.39Å |
| 162 | M | 97.9 | Very high | 97.3 | Very high | 60 Ų | 60 | 48 Ų | 48 | 30% | 0.296 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -67.1 | -42.9 | 178.9 | -67.5 | 176.1 | -172.6 | 0 | 0 | 112.4 | V50 D158 E159 L164 V165 Q166 | V50-M162 HydrophobicContact CG1-CB 4.46Å; V50-M162 HydrophobicContact CG2-CG 4.3Å; D158-M162 HydrophobicContact CB-CE 4.07Å; D158-M162 VanDerWaalsContact O-CG 3.27Å; D158-M162 WeakPolarHBondContact O-CG 3.39Å; D158-M162 PolarHBondContact O-N 3.46Å; E159-M162 PolarHBondContact O-N 3.33Å; M162-L164 VanDerWaalsContact C-N 3.31Å; M162-L164 PolarHBondContact O-N 3.14Å; M162-V165 WeakPolarHBondContact O-CB 3.24Å; M162-V165 PolarHBondContact O-N 2.95Å; M162-Q166 PolarHBondContact O-N 3.1Å |
| 163 | E | 98.5 | Very high | 97.1 | Very high | 42 Ų | 42 | 49 Ų | 49 | 20% | 0.196 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61 | -42.3 | 176.5 | -178.2 | 63.7 | -144.5 | 0 | 0 | 110.5 | V116 E159 V165 Q166 I167 R170 | V116-E163 HydrophobicContact CG2-CG 4.23Å; E159-E163 VanDerWaalsContact O-CB 3.25Å; E159-E163 WeakPolarHBondContact O-CB 3.1Å; E159-E163 PolarHBondContact O-N 2.88Å; E163-V165 VanDerWaalsContact C-N 3.32Å; E163-V165 PolarHBondContact O-N 3.46Å; E163-Q166 WeakPolarHBondContact O-CB 3.36Å; E163-Q166 PolarHBondContact O-N 3.26Å; E163-Q166 VanDerWaalsContact O-N 3.14Å; E163-I167 HydrophobicContact CG-CD1 4.07Å; E163-I167 WeakPolarHBondContact O-CG1 3.22Å; E163-I167 PolarHBondContact O-N 3.44Å; E163-R170 IonicContact OE1-NH2 3.08Å; E163-R170 PolarHBondContact OE1-NH2 2.99Å |
| 164 | L | 98.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.4 | -42.8 | 177 | -179.1 | 59 | 0 | 0 | 0 | 111.6 | L10 L83 P114 V116 A160 F161 M162 Q166 I167 I168 | L10-L164 HydrophobicContact CB-CD2 4.36Å; L10-L164 HydrophobicContact CD1-CD2 4.38Å; L10-L164 HydrophobicContact CD2-CD2 3.86Å; L10-L164 HydrophobicContact CD2-CG 4.11Å; L10-L164 HydrophobicContact CG-CD2 4.42Å; L83-L164 HydrophobicContact CD2-CD2 4.44Å; L83-L164 HydrophobicContact CG-CD2 3.87Å; P114-L164 HydrophobicContact CB-CD1 4.35Å; V116-L164 HydrophobicContact CG2-CB 3.93Å; V116-L164 HydrophobicContact CG2-CD1 4.14Å; A160-L164 PolarHBondContact O-N 2.94Å; F161-L164 PolarHBondContact O-N 2.84Å; M162-L164 VanDerWaalsContact C-N 3.31Å; M162-L164 PolarHBondContact O-N 3.14Å; L164-Q166 VanDerWaalsContact C-N 3.32Å; L164-Q166 PolarHBondContact O-N 3.4Å; L164-I167 PolarHBondContact O-N 2.93Å; L164-I168 HydrophobicContact CD1-CD1 4.46Å; L164-I168 HydrophobicContact CD1-CG1 4.39Å; L164-I168 HydrophobicContact CG-CD1 4.12Å; L164-I168 VanDerWaalsContact O-CG1 3.28Å; L164-I168 WeakPolarHBondContact O-CG1 3.29Å; L164-I168 PolarHBondContact O-N 3.31Å |
| 165 | V | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -58.6 | -44.5 | 174.7 | 170.7 | 0 | 0 | 0 | 0 | 111.3 | F8 L10 V50 T55 L57 F161 M162 E163 I167 I168 R169 | F8-V165 HydrophobicContact CD2-CG1 3.8Å; F8-V165 HydrophobicContact CD2-CG2 4.26Å; F8-V165 HydrophobicContact CE2-CG1 3.59Å; F8-V165 HydrophobicContact CZ-CG1 4.44Å; L10-V165 HydrophobicContact CD1-CG2 4.33Å; V50-V165 HydrophobicContact CB-CG1 4.17Å; V50-V165 HydrophobicContact CG1-CB 4.26Å; V50-V165 HydrophobicContact CG1-CG1 3.9Å; V50-V165 HydrophobicContact CG2-CG1 4.21Å; T55-V165 HydrophobicContact CG2-CG1 4.34Å; L57-V165 HydrophobicContact CD1-CG2 4.26Å; L57-V165 HydrophobicContact CD2-CG2 3.43Å; L57-V165 VanDerWaalsContact CD2-CG2 3.43Å; F161-V165 WeakPolarHBondContact O-CG2 3.33Å; F161-V165 PolarHBondContact O-N 3.39Å; M162-V165 WeakPolarHBondContact O-CB 3.24Å; M162-V165 PolarHBondContact O-N 2.95Å; E163-V165 VanDerWaalsContact C-N 3.32Å; E163-V165 PolarHBondContact O-N 3.46Å; V165-I167 VanDerWaalsContact C-N 3.33Å; V165-I167 PolarHBondContact O-N 3.33Å; V165-I168 PolarHBondContact O-N 3.11Å; V165-R169 WeakPolarHBondContact O-CG 3.03Å; V165-R169 PolarHBondContact O-N 3.41Å |
| 166 | Q | 98 | Very high | 95.7 | Very high | 53 Ų | 53 | 49.2 Ų | 49.2 | 25% | 0.248 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.8 | -36.8 | 176.9 | -70.1 | 179.4 | -5 | 0 | 0 | 112.6 | V50 D51 M162 E163 L164 R170 | V50-Q166 HydrophobicContact CG1-CG 4.22Å; D51-Q166 PolarHBondContact OD1-NE2 3.31Å; D51-Q166 WeakPolarHBondContact OD2-CG 3.3Å; D51-Q166 PolarHBondContact OD2-NE2 3.47Å; M162-Q166 PolarHBondContact O-N 3.1Å; E163-Q166 WeakPolarHBondContact O-CB 3.36Å; E163-Q166 PolarHBondContact O-N 3.26Å; E163-Q166 VanDerWaalsContact O-N 3.14Å; L164-Q166 VanDerWaalsContact C-N 3.32Å; L164-Q166 PolarHBondContact O-N 3.4Å; Q166-R170 WeakPolarHBondContact O-CG 3.11Å; Q166-R170 PolarHBondContact O-N 2.79Å; Q166-R170 VanDerWaalsContact O-N 3.13Å; Q166-R170 PolarHBondContact O-NE 3.31Å; Q166-R170 VanDerWaalsContact O-NE 3.13Å |
| 167 | I | 98.3 | Very high | 94.3 | Very high | 29 Ų | 29 | 53 Ų | 53 | 15% | 0.149 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.2 | -44 | 174.5 | -65.6 | 168.9 | 0 | 0 | 0 | 110.6 | P114 V116 H145 E163 L164 V165 R169 R170 F171 | P114-I167 HydrophobicContact CB-CG2 3.84Å; P114-I167 HydrophobicContact CG-CG2 4.38Å; V116-I167 HydrophobicContact CG2-CD1 3.55Å; H145-I167 HydrophobicContact CB-CD1 4.02Å; E163-I167 HydrophobicContact CG-CD1 4.07Å; E163-I167 WeakPolarHBondContact O-CG1 3.22Å; E163-I167 PolarHBondContact O-N 3.44Å; L164-I167 PolarHBondContact O-N 2.93Å; V165-I167 VanDerWaalsContact C-N 3.33Å; V165-I167 PolarHBondContact O-N 3.33Å; I167-R169 PolarHBondContact O-N 3.09Å; I167-R170 PolarHBondContact O-N 2.97Å; I167-F171 WeakPolarHBondContact O-CB 3.19Å; I167-F171 PolarHBondContact O-N 3.47Å |
| 168 | I | 98.1 | Very high | 92.7 | Very high | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -59.9 | -46.9 | 177.4 | -64.6 | 166 | 0 | 0 | 0 | 110.7 | F8 L10 E80 P114 L164 V165 R170 F171 Q172 | F8-I168 HydrophobicContact CB-CD1 4.43Å; F8-I168 HydrophobicContact CD1-CB 4.35Å; F8-I168 HydrophobicContact CD1-CD1 4.49Å; F8-I168 HydrophobicContact CD1-CG2 3.57Å; F8-I168 HydrophobicContact CE1-CB 4.42Å; F8-I168 HydrophobicContact CE1-CG2 3.64Å; L10-I168 HydrophobicContact CD2-CD1 3.35Å; E80-I168 HydrophobicContact CB-CD1 4.35Å; E80-I168 HydrophobicContact CB-CG2 4.4Å; P114-I168 HydrophobicContact CB-CB 4.44Å; P114-I168 HydrophobicContact CB-CG1 3.59Å; P114-I168 HydrophobicContact CG-CG1 4.12Å; L164-I168 HydrophobicContact CD1-CD1 4.46Å; L164-I168 HydrophobicContact CD1-CG1 4.39Å; L164-I168 HydrophobicContact CG-CD1 4.12Å; L164-I168 VanDerWaalsContact O-CG1 3.28Å; L164-I168 WeakPolarHBondContact O-CG1 3.29Å; L164-I168 PolarHBondContact O-N 3.31Å; V165-I168 PolarHBondContact O-N 3.11Å; I168-R170 PolarHBondContact O-N 3.42Å; I168-F171 WeakPolarHBondContact O-CB 3.26Å; I168-F171 PolarHBondContact O-N 2.91Å; I168-Q172 HydrophobicContact CG2-CG 4.28Å; I168-Q172 WeakPolarHBondContact O-CG 3.18Å; I168-Q172 PolarHBondContact O-N 3.4Å |
| 169 | R | 96.5 | Very high | 91.2 | Very high | 28 Ų | 28 | 62.4 Ų | 62.4 | 11% | 0.106 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -55.8 | -52.1 | 176.9 | -74.7 | 174.6 | 175.2 | 163.6 | -0.1 | 111.7 | E6 F8 V50 D51 T55 V165 I167 F171 Q172 E173 | E6-R169 IonicContact OE1-CZ 3.67Å; E6-R169 IonicContact OE1-NE 2.88Å; E6-R169 PolarHBondContact OE1-NE 2.86Å; E6-R169 VanDerWaalsContact OE1-NE 3.1Å; E6-R169 IonicContact OE1-NH2 3.72Å; E6-R169 IonicContact OE2-CZ 3.05Å; E6-R169 IonicContact OE2-NE 2.67Å; E6-R169 IonicContact OE2-NH2 3.95Å; E6-R169 PolarHBondContact OE2-NH2 3.33Å; F8-R169 HydrophobicContact CE2-CG 4.34Å; F8-R169 HydrophobicContact CZ-CG 3.71Å; V50-R169 PolarHBondContact O-NH1 3.11Å; V50-R169 PolarHBondContact O-NH2 2.6Å; D51-R169 IonicContact OD2-NH1 2.96Å; D51-R169 PolarHBondContact OD2-NH1 3.13Å; T55-R169 PolarHBondContact OG1-NH2 3.41Å; V165-R169 WeakPolarHBondContact O-CG 3.03Å; V165-R169 PolarHBondContact O-N 3.41Å; I167-R169 PolarHBondContact O-N 3.09Å; R169-F171 VanDerWaalsContact C-N 3.28Å; R169-F171 PolarHBondContact O-N 2.91Å; R169-Q172 PolarHBondContact O-N 2.95Å; R169-E173 WeakPolarHBondContact O-CG 3.32Å; R169-E173 PolarHBondContact O-N 3.21Å |
| 170 | R | 96.1 | Very high | 89.4 | Confident | 119 Ų | 119 | 63.8 Ų | 63.8 | 45% | 0.449 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -58.3 | -41 | 177.9 | -74.4 | 179.1 | -74.9 | -170 | -4.8 | 112.1 | E163 Q166 I167 I168 E173 M174 | E163-R170 IonicContact OE1-NH2 3.08Å; E163-R170 PolarHBondContact OE1-NH2 2.99Å; Q166-R170 WeakPolarHBondContact O-CG 3.11Å; Q166-R170 PolarHBondContact O-N 2.79Å; Q166-R170 VanDerWaalsContact O-N 3.13Å; Q166-R170 PolarHBondContact O-NE 3.31Å; Q166-R170 VanDerWaalsContact O-NE 3.13Å; I167-R170 PolarHBondContact O-N 2.97Å; I168-R170 PolarHBondContact O-N 3.42Å; R170-E173 PolarHBondContact O-N 3.34Å; R170-M174 WeakPolarHBondContact O-CG 3.23Å; R170-M174 PolarHBondContact O-N 3.03Å; R170-M174 VanDerWaalsContact O-N 3.16Å |
| 171 | F | 95.9 | Very high | 87.6 | Confident | 17 Ų | 17 | 70 Ų | 70 | 8% | 0.075 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -64.1 | -48.4 | 177.9 | -176 | -92.9 | 0 | 0 | 0 | 111.8 | F113 P114 I167 I168 R169 E173 M174 E175 | F113-F171 HydrophobicContact CD2-CE1 4.27Å; F113-F171 AromaticContact CD2-CZ 3.93Å; F113-F171 HydrophobicContact CD2-CZ 3.93Å; F113-F171 HydrophobicContact CE2-CE1 4.09Å; F113-F171 HydrophobicContact CE2-CZ 4.21Å; P114-F171 HydrophobicContact CG-CB 3.57Å; P114-F171 HydrophobicContact CG-CD1 3.82Å; P114-F171 HydrophobicContact CG-CD2 4.03Å; P114-F171 HydrophobicContact CG-CE1 4.48Å; P114-F171 HydrophobicContact CG-CG 3.54Å; I167-F171 WeakPolarHBondContact O-CB 3.19Å; I167-F171 PolarHBondContact O-N 3.47Å; I168-F171 WeakPolarHBondContact O-CB 3.26Å; I168-F171 PolarHBondContact O-N 2.91Å; R169-F171 VanDerWaalsContact C-N 3.28Å; R169-F171 PolarHBondContact O-N 2.91Å; F171-E173 VanDerWaalsContact C-N 3.32Å; F171-E173 PolarHBondContact O-N 3.39Å; F171-M174 PolarHBondContact O-N 3.3Å; F171-E175 HydrophobicContact CD1-CG 4.38Å; F171-E175 HydrophobicContact CE1-CG 4.16Å; F171-E175 WeakPolarHBondContact CE1-OE1 3.49Å; F171-E175 VanDerWaalsContact CE1-OE2 3.31Å; F171-E175 WeakPolarHBondContact CE1-OE2 3.46Å; F171-E175 WeakPolarHBondContact O-CG 3.47Å; F171-E175 PolarHBondContact O-N 3.33Å; F171-E175 VanDerWaalsContact O-N 3.13Å |
| 172 | Q | 94.4 | Very high | 85.4 | Confident | 73 Ų | 73 | 78.6 Ų | 78.6 | 34% | 0.341 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -63.4 | -35.7 | 177.6 | -69.8 | 176 | -6.6 | 0 | 0 | 112.7 | E80 I168 R169 E175 S176 | E80-Q172 PolarHBondContact OE2-NE2 3.21Å; I168-Q172 HydrophobicContact CG2-CG 4.28Å; I168-Q172 WeakPolarHBondContact O-CG 3.18Å; I168-Q172 PolarHBondContact O-N 3.4Å; R169-Q172 PolarHBondContact O-N 2.95Å; Q172-E175 PolarHBondContact O-N 2.71Å; Q172-S176 PolarHBondContact O-N 2.96Å; Q172-S176 PolarHBondContact O-OG 3.48Å |
| 173 | E | 92.6 | Very high | 83.2 | Confident | 138 Ų | 138 | 84.5 Ų | 84.5 | 65% | 0.645 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -63 | -40.7 | 174.3 | -75.9 | 172.2 | -174 | 0 | 0 | 112.2 | R169 R170 F171 E175 S176 | R169-E173 WeakPolarHBondContact O-CG 3.32Å; R169-E173 PolarHBondContact O-N 3.21Å; R170-E173 PolarHBondContact O-N 3.34Å; F171-E173 VanDerWaalsContact C-N 3.32Å; F171-E173 PolarHBondContact O-N 3.39Å; E173-E175 VanDerWaalsContact C-N 3.33Å; E173-S176 PolarHBondContact O-N 2.71Å |
| 174 | M | 90.3 | Very high | 80.7 | Confident | 146 Ų | 146 | 88.9 Ų | 88.9 | 72% | 0.719 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -70.3 | -28.7 | 176.8 | -69.2 | -174 | -62.2 | 0 | 0 | 113 | R170 F171 | R170-M174 WeakPolarHBondContact O-CG 3.23Å; R170-M174 PolarHBondContact O-N 3.03Å; R170-M174 VanDerWaalsContact O-N 3.16Å; F171-M174 PolarHBondContact O-N 3.3Å |
| 175 | E | 87.1 | Confident | 78.1 | Confident | 98 Ų | 98 | 92.1 Ų | 92.1 | 46% | 0.458 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -83.4 | -19.5 | 177.5 | -68.9 | -164.5 | 132.2 | 0 | 0 | 113.8 | R110 F171 Q172 E173 | R110-E175 IonicContact CZ-OE1 2.98Å; R110-E175 IonicContact NH1-OE1 2.83Å; R110-E175 PolarHBondContact NH1-OE1 2.85Å; R110-E175 IonicContact NH2-OE1 3.31Å; R110-E175 PolarHBondContact NH2-OE1 3.36Å; F171-E175 HydrophobicContact CD1-CG 4.38Å; F171-E175 HydrophobicContact CE1-CG 4.16Å; F171-E175 WeakPolarHBondContact CE1-OE1 3.49Å; F171-E175 VanDerWaalsContact CE1-OE2 3.31Å; F171-E175 WeakPolarHBondContact CE1-OE2 3.46Å; F171-E175 WeakPolarHBondContact O-CG 3.47Å; F171-E175 PolarHBondContact O-N 3.33Å; F171-E175 VanDerWaalsContact O-N 3.13Å; Q172-E175 PolarHBondContact O-N 2.71Å; E173-E175 VanDerWaalsContact C-N 3.33Å |
| 176 | S | 80.9 | Confident | 75.4 | Confident | 72 Ų | 72 | 102 Ų | 102 | 50% | 0.503 | 55% | 0.554 | S | S | . | * | S | Bend | trans | -71.1 | 133.7 | -179.5 | -66 | 0 | 0 | 0 | 0 | 110.3 | Q172 E173 | Q172-S176 PolarHBondContact O-N 2.96Å; Q172-S176 PolarHBondContact O-OG 3.48Å; E173-S176 PolarHBondContact O-N 2.71Å |
| 177 | P | 69 | Low | 72.9 | Confident | 112 Ų | 112 | 108.7 Ų | 108.7 | 73% | 0.727 | 59% | 0.585 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 142.1 | 174.3 | 21.4 | -28.9 | 0 | 0 | 0 | 109.6 | ||
| 178 | P | 64.1 | Low | 70 | Confident | 115 Ų | 115 | 115 Ų | 115 | 75% | 0.747 | 62% | 0.619 | S | S | * | * | P | Polyproline II helix | trans | -56 | 139.3 | 179.5 | 22.4 | -31.8 | 0 | 0 | 0 | 109.2 | ||
| 179 | P | 66.3 | Low | 67.7 | Low | 111 Ų | 111 | 119.7 Ų | 119.7 | 72% | 0.721 | 65% | 0.652 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 141.2 | 177.9 | 21.5 | -31.1 | 0 | 0 | 0 | 109.1 | T181 | P179-T181 PolarHBondContact O-N 3.06Š|
| 180 | P | 60 | Low | 65.2 | Low | 121 Ų | 121 | 130.2 Ų | 130.2 | 79% | 0.786 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 117.9 | 177.8 | 21.1 | -30.5 | 0 | 0 | 0 | 108.3 | Q182 | P180-Q182 PolarHBondContact O-N 3.38Š|
| 181 | T | 59.3 | Low | 62.4 | Low | 133 Ų | 133 | 128.1 Ų | 128.1 | 82% | 0.816 | 71% | 0.708 | S | S | * | * | trans | -50.6 | 108.9 | 176.9 | -18.9 | 0 | 0 | 0 | 0 | 108 | P179 Q183 | P179-T181 PolarHBondContact O-N 3.06Å; T181-Q183 VanDerWaalsContact C-N 3.27Å; T181-Q183 PolarHBondContact O-N 3.33Å | ||
| 182 | Q | 53.8 | Low | 59.6 | Low | 182 Ų | 182 | 133.5 Ų | 133.5 | 85% | 0.85 | 75% | 0.746 | S | S | * | * | trans | -64.8 | 98.5 | 167.6 | -74.1 | -175.4 | 20.1 | 0 | 0 | 106 | P180 T184 | P180-Q182 PolarHBondContact O-N 3.38Å; Q182-T184 VanDerWaalsContact C-N 3.33Å; Q182-T184 PolarHBondContact O-N 2.76Å | ||
| 183 | Q | 51 | Low | 57.6 | Low | 185 Ų | 185 | 135.7 Ų | 135.7 | 86% | 0.864 | 77% | 0.766 | S | S | * | * | trans | -56.8 | 106.8 | 164.1 | -71.7 | -176.3 | 10.5 | 0 | 0 | 105.7 | T181 G185 | T181-Q183 VanDerWaalsContact C-N 3.27Å; T181-Q183 PolarHBondContact O-N 3.33Å; Q183-G185 PolarHBondContact O-N 2.63Å | ||
| 184 | T | 46 | Very low | 54.7 | Low | 134 Ų | 134 | 135 Ų | 135 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | trans | -62.7 | 96 | 169.2 | 39.9 | 0 | 0 | 0 | 0 | 106.4 | Q182 K186 | Q182-T184 VanDerWaalsContact C-N 3.33Å; Q182-T184 PolarHBondContact O-N 2.76Å; T184-K186 VanDerWaalsContact C-N 3.34Å; T184-K186 PolarHBondContact O-N 2.81Å | ||
| 185 | G | 44.8 | Very low | 52.5 | Low | 68 Ų | 68 | 134.2 Ų | 134.2 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | trans | -60.2 | 97.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | Q183 Q187 | Q183-G185 PolarHBondContact O-N 2.63Å; G185-Q187 VanDerWaalsContact C-N 3.26Å; G185-Q187 PolarHBondContact O-N 2.82Å | ||
| 186 | K | 42 | Very low | 50.1 | Low | 206 Ų | 206 | 136 Ų | 136 | 90% | 0.896 | 79% | 0.79 | S | S | * | * | trans | -63.4 | 96.4 | 157.1 | -94.1 | -177.9 | 174.9 | 176 | 0 | 106.5 | T184 N188 | T184-K186 VanDerWaalsContact C-N 3.34Å; T184-K186 PolarHBondContact O-N 2.81Å; K186-N188 PolarHBondContact O-N 3.03Å | ||
| 187 | Q | 45.2 | Very low | 48 | Very low | 195 Ų | 195 | 140.2 Ų | 140.2 | 91% | 0.911 | 81% | 0.806 | S | S | * | * | trans | -59.2 | 107.3 | 162.5 | -69.5 | -174.2 | 10.2 | 0 | 0 | 107.4 | G185 | G185-Q187 VanDerWaalsContact C-N 3.26Å; G185-Q187 PolarHBondContact O-N 2.82Å | ||
| 188 | N | 37.8 | Very low | 46.5 | Very low | 160 Ų | 160 | 142.1 Ų | 142.1 | 86% | 0.856 | 81% | 0.809 | S | S | * | * | trans | -113.7 | 109.8 | 159.8 | -125.5 | 5 | 0 | 0 | 0 | 107.2 | K186 R190 | K186-N188 PolarHBondContact O-N 3.03Å; N188-R190 PolarHBondContact O-N 2.82Å | ||
| 189 | S | 48.3 | Very low | 45.3 | Very low | 101 Ų | 101 | 142.4 Ų | 142.4 | 71% | 0.706 | 81% | 0.808 | S | S | * | * | trans | -66.8 | 123.7 | 174.9 | 47.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 190 | R | 43.5 | Very low | 43.9 | Very low | 248 Ų | 248 | 143.2 Ų | 143.2 | 94% | 0.936 | 81% | 0.814 | S | S | * | * | trans | 175.4 | 128 | 139.7 | -90.6 | 156.8 | -153.6 | -159.1 | 7.5 | 108 | N188 | N188-R190 PolarHBondContact O-N 2.82Š| ||
| 191 | G | 38.6 | Very low | 42.8 | Very low | 76 Ų | 76 | 146.5 Ų | 146.5 | 78% | 0.784 | 82% | 0.818 | S | S | * | * | trans | -82.3 | 175.4 | -153 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 192 | C | 36.2 | Very low | 41.8 | Very low | 129 Ų | 129 | 148.2 Ų | 148.2 | 87% | 0.872 | 82% | 0.817 | S | S | * | * | trans | -170.7 | 139.4 | 138.8 | -102.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 193 | P | 52.4 | Low | 40.9 | Very low | 119 Ų | 119 | 148.5 Ų | 148.5 | 77% | 0.773 | 82% | 0.819 | S | S | * | * | trans | -93.6 | 122.6 | -175.2 | 34.3 | -26.8 | 0 | 0 | 0 | 110.1 | ||||
| 194 | C | 33.2 | Very low | 40.2 | Very low | 123 Ų | 123 | 147.5 Ų | 147.5 | 83% | 0.831 | 81% | 0.814 | S | S | * | * | trans | -149.4 | 102.8 | 161 | -91.1 | 0 | 0 | 0 | 0 | 109.5 | I196 | C194-I196 PolarHBondContact O-N 3.27Š| ||
| 195 | V | 43.4 | Very low | 39.7 | Very low | 131 Ų | 131 | 153 Ų | 153 | 79% | 0.794 | 82% | 0.819 | S | S | * | * | trans | -71.9 | 114.8 | 161.9 | 175.2 | 0 | 0 | 0 | 0 | 106.6 | L197 | V195-L197 HydrophobicContact CG1-CG 4.21Š| ||
| 196 | I | 37 | Very low | 39.6 | Very low | 135 Ų | 135 | 155.7 Ų | 155.7 | 69% | 0.692 | 83% | 0.825 | S | S | * | * | trans | -127.4 | 103.5 | 156.5 | -56.2 | -177.8 | 0 | 0 | 0 | 106.4 | C194 I198 | C194-I196 PolarHBondContact O-N 3.27Å; I196-I198 HydrophobicContact CG2-CD1 4.3Å; I196-I198 HydrophobicContact CG2-CG1 3.83Å; I196-I198 PolarHBondContact O-N 3.19Å | ||
| 197 | L | 35.6 | Very low | 39.4 | Very low | 160 Ų | 160 | 149.3 Ų | 149.3 | 84% | 0.838 | 82% | 0.818 | S | S | * | * | trans | -68.1 | 118.4 | 165.1 | -67.9 | 165.6 | 0 | 0 | 0 | 107.4 | V195 | V195-L197 HydrophobicContact CG1-CG 4.21Š| ||
| 198 | I | 38.6 | Very low | 38.9 | Very low | 153 Ų | 153 | 144.5 Ų | 144.5 | 79% | 0.785 | 81% | 0.812 | S | S | * | * | trans | -116.4 | 110.2 | 165.1 | -53.5 | -178.6 | 0 | 0 | 0 | 106.8 | I196 | I196-I198 HydrophobicContact CG2-CD1 4.3Å; I196-I198 HydrophobicContact CG2-CG1 3.83Å; I196-I198 PolarHBondContact O-N 3.19Å | ||
| 199 | T | 38.7 | Very low | 38.7 | Very low | 120 Ų | 120 | 148.7 Ų | 148.7 | 74% | 0.736 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 151.3 | 170.8 | 33.7 | 0 | 0 | 0 | 0 | 110.8 | Q201 | T199-Q201 PolarHBondContact O-N 3.14Š|
| 200 | P | 36.3 | Very low | 38.1 | Very low | 129 Ų | 129 | 149 Ų | 149 | 84% | 0.838 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 123.5 | -177.3 | 29.6 | -30.1 | 0 | 0 | 0 | 110.4 | ||
| 201 | Q | 37.3 | Very low | 37.8 | Very low | 190 Ų | 190 | 143 Ų | 143 | 89% | 0.888 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -98.8 | 122.1 | 171.8 | -155.1 | 168 | 15.3 | 0 | 0 | 110.3 | T199 | T199-Q201 PolarHBondContact O-N 3.14Š|
| 202 | Q | 37.5 | Very low | 37.7 | Very low | 168 Ų | 168 | 147.7 Ų | 147.7 | 79% | 0.785 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -49.9 | 134.6 | 172.2 | -70.7 | 160.9 | -40.3 | 0 | 0 | 111.9 | ||
| 203 | Q | 36 | Very low | 37.7 | Very low | 189 Ų | 189 | 144.7 Ų | 144.7 | 88% | 0.883 | 80% | 0.801 | S | S | * | * | trans | -96.7 | 102.2 | 159.4 | -83.6 | -179.3 | -7 | 0 | 0 | 109.2 | ||||
| 204 | Q | 35.2 | Very low | 36.9 | Very low | 164 Ų | 164 | 148.4 Ų | 148.4 | 77% | 0.766 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -96.9 | 137.7 | 155.2 | -77.7 | 174.7 | 1.8 | 0 | 0 | 108 | ||
| 205 | W | 36.9 | Very low | 37.2 | Very low | 248 Ų | 248 | 150.4 Ų | 150.4 | 94% | 0.939 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 131.1 | 172.2 | -81.4 | 11.3 | 0 | 0 | 0 | 111.2 | ||
| 206 | P | 42 | Very low | 36.7 | Very low | 125 Ų | 125 | 148.6 Ų | 148.6 | 81% | 0.812 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -96.2 | 133.6 | 164 | 33.3 | -25.5 | 0 | 0 | 0 | 111 | ||
| 207 | G | 38.3 | Very low | 36.8 | Very low | 73 Ų | 73 | 147 Ų | 147 | 75% | 0.753 | 82% | 0.815 | S | S | * | * | trans | -75.3 | 176.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 208 | A | 33.5 | Very low | 37.1 | Very low | 94 Ų | 94 | 145.6 Ų | 145.6 | 78% | 0.777 | 81% | 0.812 | S | S | * | * | trans | -140.6 | 103.8 | 164.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 209 | W | 33.7 | Very low | 37.2 | Very low | 248 Ų | 248 | 146.8 Ų | 146.8 | 94% | 0.939 | 81% | 0.814 | S | S | * | * | trans | 50.7 | 125.3 | 134.1 | -58.4 | 92.9 | 0 | 0 | 0 | 124.2 | ||||
| 210 | S | 36.2 | Very low | 37.4 | Very low | 106 Ų | 106 | 149.9 Ų | 149.9 | 74% | 0.741 | 82% | 0.817 | S | S | * | * | trans | -55.2 | 150.4 | 161.2 | 167.6 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 211 | V | 37.5 | Very low | 37.4 | Very low | 124 Ų | 124 | 146.9 Ų | 146.9 | 75% | 0.752 | 81% | 0.81 | S | S | * | * | trans | -126.6 | 112.5 | 156 | -175 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 212 | Q | 36.2 | Very low | 37.9 | Very low | 174 Ų | 174 | 144.4 Ų | 144.4 | 81% | 0.813 | 81% | 0.814 | S | S | * | * | trans | 27.6 | 125.4 | 139.9 | -61 | 164.4 | -14.5 | 0 | 0 | 117.4 | ||||
| 213 | G | 36.1 | Very low | 38.1 | Very low | 66 Ų | 66 | 143.8 Ų | 143.8 | 68% | 0.68 | 85% | 0.853 | S | S | * | * | cis | 96.6 | 105.4 | 42.1 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 214 | H | 36.6 | Very low | 38.2 | Very low | 197 Ų | 197 | 141.6 Ų | 141.6 | 91% | 0.912 | 85% | 0.851 | S | S | * | * | trans | -151.6 | 131.1 | 154.4 | -110.2 | 72 | 0 | 0 | 0 | 111.4 | ||||
| 215 | L | 37.8 | Very low | 38.4 | Very low | 164 Ų | 164 | 140.4 Ų | 140.4 | 86% | 0.859 | 86% | 0.856 | S | S | * | * | trans | -69.4 | 153 | 175.4 | -71 | 95.6 | 0 | 0 | 0 | 111.6 | ||||
| 216 | A | 34.1 | Very low | 38.4 | Very low | 94 Ų | 94 | 134.4 Ų | 134.4 | 78% | 0.777 | 85% | 0.851 | S | S | * | * | 164.2 | 151.4 | 100 | 0 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 217 | A | 38.5 | Very low | 38.2 | Very low | 101 Ų | 101 | 134.9 Ų | 134.9 | 84% | 0.835 | 85% | 0.854 | S | S | * | * | trans | 88.8 | 100.3 | 146.4 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 218 | V | 43.3 | Very low | 38.2 | Very low | 130 Ų | 130 | 138.8 Ų | 138.8 | 79% | 0.788 | 86% | 0.86 | S | S | * | * | trans | -50.2 | 135.1 | 147.5 | 170.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 219 | H | 40.1 | Very low | 38.5 | Very low | 179 Ų | 179 | 141.8 Ų | 141.8 | 83% | 0.829 | 87% | 0.865 | S | S | * | * | trans | -157.5 | 154.6 | 138.4 | -113.9 | 47.1 | 0 | 0 | 0 | 114.2 | ||||
| 220 | K | 42.3 | Very low | 38.9 | Very low | 184 Ų | 184 | 134.2 Ų | 134.2 | 80% | 0.8 | 86% | 0.86 | S | S | * | * | trans | -72.9 | 150.3 | -163.4 | -62.8 | 163.8 | 170 | 175.2 | 0 | 114.3 | ||||
| 221 | G | 37.2 | Very low | 39.1 | Very low | 67 Ų | 67 | 136.4 Ų | 136.4 | 69% | 0.691 | 87% | 0.869 | S | S | * | * | 80.5 | 134.1 | 113.2 | 0 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 222 | S | 46.7 | Very low | 39.2 | Very low | 137 Ų | 137 | 137.4 Ų | 137.4 | 96% | 0.958 | 88% | 0.879 | S | S | * | * | trans | 88.6 | 119.8 | 148.2 | -46.3 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 223 | G | 42.1 | Very low | 39.5 | Very low | 156 Ų | 156 | 134.1 Ų | 134.1 | 100% | 1.608 | 89% | 0.885 | S | S | * | * | trans | 148.1 | 0 | 167.4 | 0 | 0 | 0 | 0 | 0 | 112 |
Retrieved 223 of 223 residues in 104.2 ms
(Link to these results)