| 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 | 83.1 | Confident | 96.1 | Very high | 136 Ų | 136 | 33.5 Ų | 33.5 | 67% | 0.67 | 15% | 0.15 | S | C | * | . | 0 | 143.7 | 0 | -156.8 | 167.4 | -66.9 | 0 | 0 | 108.1 | E251 Q255 T257 | M1-E251 HydrophobicContact CE-CG 3.66Å; M1-E251 WeakPolarHBondContact CE-OE1 3.17Å; M1-E251 HydrophobicContact SD-CG 3.26Å; M1-E251 WeakPolarHBondContact SD-CG 3.43Å; M1-Q255 WeakPolarHBondContact CG-O 3.48Å; M1-T257 HydrophobicContact CB-CG2 4.12Å; M1-T257 HydrophobicContact CG-CG2 3.96Å; M1-T257 HydrophobicContact SD-CG2 3.41Å; M1-T257 WeakPolarHBondContact SD-CG2 3.22Å | |||
| 2 | R | 92.1 | Very high | 96.2 | Very high | 78 Ų | 78 | 33.1 Ų | 33.1 | 29% | 0.294 | 15% | 0.147 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 140.4 | -179.2 | -173.5 | 172.1 | 64.5 | 79.6 | -11.9 | 109.5 | I217 A221 G222 Q255 A256 T257 | R2-I217 PolarHBondContact NH2-O 2.92Å; R2-A221 VanDerWaalsContact NH1-C 3.32Å; R2-A221 PolarHBondContact NH1-O 3.23Å; R2-A221 PolarHBondContact NH2-O 3.1Å; R2-G222 VanDerWaalsContact NH1-CA 3.29Å; R2-Q255 PolarHBondContact N-O 3.06Å; R2-Q255 VanDerWaalsContact N-O 3.17Å; R2-A256 CarbonylContact O-C 3Å; R2-A256 WeakPolarHBondContact O-CA 3.21Å; R2-T257 PolarHBondContact O-N 2.99Å |
| 3 | K | 95.9 | Very high | 96.2 | Very high | 103 Ų | 103 | 30.8 Ų | 30.8 | 45% | 0.448 | 14% | 0.137 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 133.4 | 174 | -174.8 | 171.3 | 169.5 | 171.1 | 0 | 109.6 | T257 D259 | K3-T257 CarbonylContact C-O 3.56Å; K3-T257 WeakPolarHBondContact CA-O 3.07Å; K3-D259 WeakPolarHBondContact CE-OD1 3.07Å; K3-D259 WeakPolarHBondContact CE-OD2 3.29Å; K3-D259 IonicContact NZ-OD1 2.96Å; K3-D259 PolarHBondContact NZ-OD1 3.45Å; K3-D259 IonicContact NZ-OD2 2.78Å; K3-D259 PolarHBondContact NZ-OD2 2.78Å |
| 4 | V | 98.2 | Very high | 96.1 | Very high | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.006 | 13% | 0.127 | C | C | . | . | trans | -105.1 | 121.6 | 173.6 | 175.9 | 0 | 0 | 0 | 0 | 108.2 | F6 I217 G222 V224 L247 A256 T257 | V4-F6 HydrophobicContact CG1-CE2 4.19Å; V4-I217 HydrophobicContact CG1-CD1 4.3Å; V4-I217 HydrophobicContact CG2-CG2 3.94Å; V4-G222 WeakPolarHBondContact CA-O 3.46Å; V4-V224 HydrophobicContact CG1-CG1 4.24Å; V4-L247 HydrophobicContact CB-CD1 4.06Å; V4-L247 HydrophobicContact CG1-CD1 4.18Å; V4-L247 HydrophobicContact CG2-CD1 4.28Å; V4-A256 HydrophobicContact CG2-CB 3.84Å; V4-T257 PolarHBondContact N-O 3.05Å | ||
| 5 | E | 98.4 | Very high | 95.8 | Very high | 47 Ų | 47 | 29.7 Ų | 29.7 | 22% | 0.22 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 145 | 173.3 | -65.6 | 179.5 | -178.5 | 0 | 0 | 110.7 | A40 Y164 G222 R223 V224 | E5-A40 HydrophobicContact CB-CB 3.99Å; E5-A40 HydrophobicContact CG-CB 4.26Å; E5-Y164 PolarHBondContact OE1-OH 3.04Å; E5-Y164 WeakPolarHBondContact OE2-CE1 3.38Å; E5-Y164 PolarHBondContact OE2-OH 3.2Å; E5-Y164 VanDerWaalsContact OE2-OH 3.04Å; E5-G222 PolarHBondContact N-O 2.85Å; E5-R223 HydrophobicContact CB-CB 4.2Å; E5-R223 HydrophobicContact CB-CG 4.22Å; E5-R223 CarbonylContact O-C 3.52Å; E5-R223 WeakPolarHBondContact O-CA 3.45Å; E5-R223 IonicContact OE2-CZ 3.01Å; E5-R223 IonicContact OE2-NE 2.61Å; E5-R223 PolarHBondContact OE2-NE 3.43Å; E5-R223 VanDerWaalsContact OE2-NE 3.11Å; E5-R223 IonicContact OE2-NH2 3.98Å; E5-R223 PolarHBondContact OE2-NH2 3.12Å; E5-V224 PolarHBondContact O-N 3.46Å |
| 6 | F | 98.7 | Very high | 95.3 | Very high | 4 Ų | 4 | 32.9 Ų | 32.9 | 2% | 0.018 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 122.7 | 173.1 | -78.1 | -119.7 | 0 | 0 | 0 | 108.5 | V4 I39 A40 S41 V224 L240 I243 A244 L247 S258 I260 | V4-F6 HydrophobicContact CG1-CE2 4.19Å; F6-I39 HydrophobicContact CB-CD1 3.75Å; F6-A40 PolarHBondContact O-N 2.59Å; F6-S41 PolarHBondContact O-N 3.04Å; F6-V224 HydrophobicContact CB-CG1 4.32Å; F6-V224 HydrophobicContact CD1-CG1 3.7Å; F6-V224 HydrophobicContact CD2-CG1 3.86Å; F6-V224 HydrophobicContact CE1-CG1 3.86Å; F6-V224 HydrophobicContact CE2-CG1 3.99Å; F6-V224 HydrophobicContact CG-CG1 3.7Å; F6-V224 HydrophobicContact CZ-CG1 4Å; F6-L240 HydrophobicContact CD1-CB 4.39Å; F6-L240 HydrophobicContact CD1-CD2 4.02Å; F6-L240 HydrophobicContact CE1-CD2 4.49Å; F6-I243 HydrophobicContact CE1-CB 4.06Å; F6-I243 HydrophobicContact CE1-CG2 4.05Å; F6-I243 HydrophobicContact CZ-CB 4.23Å; F6-I243 HydrophobicContact CZ-CG2 3.78Å; F6-A244 HydrophobicContact CE1-CB 3.83Å; F6-A244 HydrophobicContact CZ-CB 3.99Å; F6-L247 HydrophobicContact CE2-CD1 4.01Å; F6-L247 HydrophobicContact CZ-CD1 4.03Å; F6-S258 VanDerWaalsContact CE2-CB 3.47Å; F6-I260 HydrophobicContact CB-CD1 3.98Å; F6-I260 HydrophobicContact CD1-CD1 3.97Å; F6-I260 HydrophobicContact CD1-CG1 4.01Å; F6-I260 HydrophobicContact CD2-CD1 4.26Å; F6-I260 HydrophobicContact CD2-CG1 3.9Å; F6-I260 HydrophobicContact CE1-CG1 4.16Å; F6-I260 HydrophobicContact CE2-CG1 4.08Å; F6-I260 HydrophobicContact CG-CD1 3.81Å; F6-I260 HydrophobicContact CG-CG1 3.89Å; F6-I260 HydrophobicContact CZ-CG1 4.2Å |
| 7 | L | 98.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 121 | 168.2 | -172.9 | 157.5 | 0 | 0 | 0 | 108.6 | T9 S41 E43 R223 V224 E225 G226 | L7-T9 HydrophobicContact CD2-CG2 3.42Å; L7-T9 VanDerWaalsContact CD2-CG2 3.42Å; L7-S41 CarbonylContact C-O 3.39Å; L7-S41 WeakPolarHBondContact CA-O 3.3Å; L7-E43 HydrophobicContact CD2-CB 3.94Å; L7-R223 HydrophobicContact CB-CG 4.17Å; L7-V224 PolarHBondContact N-O 3.49Å; L7-E225 HydrophobicContact CB-CG 3.78Å; L7-E225 HydrophobicContact CD1-CG 4.19Å; L7-E225 HydrophobicContact CD2-CG 3.72Å; L7-E225 HydrophobicContact CG-CG 4.06Å; L7-E225 WeakPolarHBondContact O-CA 3.47Å; L7-G226 PolarHBondContact O-N 2.89Å |
| 8 | D | 98.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 128.4 | 175.8 | 179 | -85 | 0 | 0 | 0 | 111 | T10 L34 I39 S41 E43 L240 | D8-T10 VanDerWaalsContact CG-OG1 3.25Å; D8-T10 WeakPolarHBondContact OD1-CA 3.47Å; D8-T10 WeakPolarHBondContact OD1-CB 3.49Å; D8-T10 PolarHBondContact OD1-N 2.71Å; D8-T10 PolarHBondContact OD1-OG1 2.95Å; D8-T10 VanDerWaalsContact OD1-OG1 3.12Å; D8-T10 PolarHBondContact OD2-OG1 3.07Å; D8-L34 HydrophobicContact CB-CD1 4.02Å; D8-L34 HydrophobicContact CB-CD2 4.22Å; D8-L34 VanDerWaalsContact CG-CD1 3.49Å; D8-L34 WeakPolarHBondContact OD1-CD1 3.35Å; D8-I39 HydrophobicContact CB-CD1 4.14Å; D8-I39 HydrophobicContact CB-CG1 4.25Å; D8-I39 HydrophobicContact CB-CG2 3.9Å; D8-S41 PolarHBondContact N-O 3.11Å; D8-E43 PolarHBondContact O-N 3.47Å; D8-L240 HydrophobicContact CB-CD1 3.91Å |
| 9 | T | 98.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 22% | 0.215 | C | C | . | . | trans | -109.5 | 14.5 | 175.4 | 64.7 | 0 | 0 | 0 | 0 | 112.5 | L7 L11 R12 D13 G14 E43 E225 G226 T227 | L7-T9 HydrophobicContact CD2-CG2 3.42Å; L7-T9 VanDerWaalsContact CD2-CG2 3.42Å; T9-L11 PolarHBondContact O-N 3.12Å; T9-R12 CarbonylContact O-C 3.53Å; T9-R12 PolarHBondContact O-N 2.86Å; T9-D13 PolarHBondContact O-N 3.35Å; T9-G14 PolarHBondContact O-N 2.86Å; T9-G14 VanDerWaalsContact O-N 3.08Å; T9-E43 HydrophobicContact CG2-CB 4.03Å; T9-E225 HydrophobicContact CG2-CB 4.48Å; T9-G226 PolarHBondContact N-O 3.32Å; T9-G226 PolarHBondContact OG1-O 3.07Å; T9-T227 WeakPolarHBondContact OG1-CG2 3.38Å | ||
| 10 | T | 98 | Very high | 93 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -37.7 | -177.5 | -60.1 | 0 | 0 | 0 | 0 | 111.3 | D8 R12 G14 E15 T227 V228 I231 I272 | D8-T10 VanDerWaalsContact CG-OG1 3.25Å; D8-T10 WeakPolarHBondContact OD1-CA 3.47Å; D8-T10 WeakPolarHBondContact OD1-CB 3.49Å; D8-T10 PolarHBondContact OD1-N 2.71Å; D8-T10 PolarHBondContact OD1-OG1 2.95Å; D8-T10 VanDerWaalsContact OD1-OG1 3.12Å; D8-T10 PolarHBondContact OD2-OG1 3.07Å; T10-R12 VanDerWaalsContact C-N 3.3Å; T10-R12 PolarHBondContact O-N 3.41Å; T10-G14 CarbonylContact O-C 3.55Å; T10-G14 VanDerWaalsContact O-CA 3.27Å; T10-G14 WeakPolarHBondContact O-CA 3.5Å; T10-G14 PolarHBondContact O-N 2.92Å; T10-E15 PolarHBondContact O-N 3.46Å; T10-T227 WeakPolarHBondContact OG1-CA 3.15Å; T10-V228 PolarHBondContact OG1-N 2.57Å; T10-V228 VanDerWaalsContact OG1-N 3.11Å; T10-I231 HydrophobicContact CG2-CD1 3.79Å; T10-I231 HydrophobicContact CG2-CG1 4.4Å; T10-I272 HydrophobicContact CG2-CD1 4.02Å; T10-I272 HydrophobicContact CG2-CG1 4.39Å; T10-I272 HydrophobicContact CG2-CG2 3.91Å |
| 11 | L | 97.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -4.6 | -178.2 | -61.6 | -176.4 | 0 | 0 | 0 | 114.9 | T9 K27 I30 A31 I42 I60 | T9-L11 PolarHBondContact O-N 3.12Å; L11-K27 HydrophobicContact CD2-CB 4.09Å; L11-K27 HydrophobicContact CD2-CG 4.09Å; L11-I30 HydrophobicContact CD1-CG2 4.47Å; L11-I30 HydrophobicContact CD2-CB 3.89Å; L11-I30 HydrophobicContact CD2-CD1 3.93Å; L11-I30 HydrophobicContact CD2-CG2 3.66Å; L11-I30 HydrophobicContact CG-CG2 4.14Å; L11-A31 HydrophobicContact CD1-CB 4.05Å; L11-I42 HydrophobicContact CD1-CG2 3.92Å; L11-I60 HydrophobicContact CD1-CD1 3.64Å |
| 12 | R | 96.6 | Very high | 92.8 | Very high | 28 Ų | 28 | 36 Ų | 36 | 11% | 0.106 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -125.2 | -68 | 177.3 | -169.1 | -75.3 | -61.5 | 163.7 | 1.8 | 111.5 | T9 T10 E43 L72 | T9-R12 CarbonylContact O-C 3.53Å; T9-R12 PolarHBondContact O-N 2.86Å; T10-R12 VanDerWaalsContact C-N 3.3Å; T10-R12 PolarHBondContact O-N 3.41Å; R12-E43 HydrophobicContact CB-CG 4.01Å; R12-E43 HydrophobicContact CG-CG 4.29Å; R12-E43 IonicContact CZ-OE1 3.81Å; R12-E43 IonicContact NE-OE1 3.58Å; R12-E43 PolarHBondContact NE-OE1 2.87Å; R12-E43 IonicContact NH2-OE1 3.12Å; R12-E43 PolarHBondContact NH2-OE1 3.25Å; R12-L72 HydrophobicContact CG-CD2 4.5Å |
| 13 | D | 96 | Very high | 92.4 | Very high | 4 Ų | 4 | 34.9 Ų | 34.9 | 2% | 0.021 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -42.3 | -179.6 | -149 | -55.5 | 0 | 0 | 0 | 110.7 | T9 E15 Q16 H201 H203 G232 N237 | T9-D13 PolarHBondContact O-N 3.35Å; D13-E15 PolarHBondContact O-N 3.28Å; D13-Q16 VanDerWaalsContact O-CB 3.23Å; D13-Q16 WeakPolarHBondContact O-CB 2.88Å; D13-Q16 PolarHBondContact O-N 3.41Å; D13-H201 IonicContact OD2-CE1 3.61Å; D13-H201 IonicContact OD2-NE2 3.23Å; D13-H201 PolarHBondContact OD2-NE2 2.93Å; D13-H203 IonicContact OD1-CE1 3.49Å; D13-G232 WeakPolarHBondContact O-CA 3.4Å; D13-N237 PolarHBondContact OD1-ND2 3.49Å |
| 14 | G | 94.9 | Very high | 92 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -59.9 | -33.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | T9 T10 Q16 T17 | T9-G14 PolarHBondContact O-N 2.86Å; T9-G14 VanDerWaalsContact O-N 3.08Å; T10-G14 CarbonylContact O-C 3.55Å; T10-G14 VanDerWaalsContact O-CA 3.27Å; T10-G14 WeakPolarHBondContact O-CA 3.5Å; T10-G14 PolarHBondContact O-N 2.92Å; G14-Q16 PolarHBondContact O-N 3.3Å; G14-T17 WeakPolarHBondContact O-CB 3.37Å; G14-T17 PolarHBondContact O-N 3.4Å; G14-T17 PolarHBondContact O-OG1 2.98Å |
| 15 | E | 91.5 | Very high | 91.3 | Very high | 45 Ų | 45 | 40.5 Ų | 40.5 | 21% | 0.21 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -72.9 | -10.7 | 175.5 | -165.5 | 172.1 | -136.2 | 0 | 0 | 113.3 | T10 D13 T17 F22 K27 | T10-E15 PolarHBondContact O-N 3.46Å; D13-E15 PolarHBondContact O-N 3.28Å; E15-T17 PolarHBondContact O-N 3.04Å; E15-F22 HydrophobicContact CB-CD2 4.18Å; E15-F22 HydrophobicContact CB-CE2 4.32Å; E15-F22 HydrophobicContact CG-CD2 4.12Å; E15-F22 PolarHBondContact OE1-N 3.45Å; E15-K27 VanDerWaalsContact CD-CE 3.49Å; E15-K27 VanDerWaalsContact CD-NZ 3.3Å; E15-K27 WeakPolarHBondContact OE1-CE 3.25Å; E15-K27 IonicContact OE1-NZ 2.74Å; E15-K27 PolarHBondContact OE1-NZ 3.34Å; E15-K27 VanDerWaalsContact OE2-CE 3.27Å; E15-K27 WeakPolarHBondContact OE2-CE 3.44Å; E15-K27 IonicContact OE2-NZ 2.81Å; E15-K27 PolarHBondContact OE2-NZ 2.84Å |
| 16 | Q | 88.5 | Confident | 90.8 | Very high | 80 Ų | 80 | 40.8 Ų | 40.8 | 37% | 0.374 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -77 | -6.6 | 171.7 | -61.1 | -179.4 | -28.3 | 0 | 0 | 112.6 | D13 G14 P18 E233 | D13-Q16 VanDerWaalsContact O-CB 3.23Å; D13-Q16 WeakPolarHBondContact O-CB 2.88Å; D13-Q16 PolarHBondContact O-N 3.41Å; G14-Q16 PolarHBondContact O-N 3.3Å; Q16-P18 WeakPolarHBondContact O-CD 3.49Å; Q16-E233 HydrophobicContact CB-CG 3.81Å; Q16-E233 WeakPolarHBondContact CB-OE1 3.47Å; Q16-E233 VanDerWaalsContact OE1-CG 3.29Å |
| 17 | T | 87.1 | Confident | 90.6 | Very high | 20 Ų | 20 | 41.2 Ų | 41.2 | 12% | 0.123 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -62.6 | 126.8 | 170.9 | -59.4 | 0 | 0 | 0 | 0 | 110.8 | G14 E15 G19 V20 G232 I278 | G14-T17 WeakPolarHBondContact O-CB 3.37Å; G14-T17 PolarHBondContact O-N 3.4Å; G14-T17 PolarHBondContact O-OG1 2.98Å; E15-T17 PolarHBondContact O-N 3.04Å; T17-G19 PolarHBondContact O-N 3.35Å; T17-V20 HydrophobicContact CG2-CG2 4Å; T17-V20 WeakPolarHBondContact O-CB 3.32Å; T17-V20 PolarHBondContact O-N 2.99Å; T17-G232 WeakPolarHBondContact OG1-CA 3.27Å; T17-G232 PolarHBondContact OG1-N 3.36Å; T17-G232 PolarHBondContact OG1-O 3.4Å; T17-I278 HydrophobicContact CG2-CD1 3.52Å |
| 18 | P | 82.3 | Confident | 90.2 | Very high | 115 Ų | 115 | 42 Ų | 42 | 75% | 0.747 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | 124.5 | 178.1 | -28.4 | 35.6 | 0 | 0 | 0 | 112.6 | Q16 | Q16-P18 WeakPolarHBondContact O-CD 3.49Š|
| 19 | G | 80.5 | Confident | 89.7 | Confident | 83 Ų | 83 | 43.8 Ų | 43.8 | 86% | 0.856 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.5 | -12 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | T17 | T17-G19 PolarHBondContact O-N 3.35Š|
| 20 | V | 85.5 | Confident | 89.5 | Confident | 11 Ų | 11 | 43.8 Ų | 43.8 | 7% | 0.067 | 25% | 0.254 | C | S | . | . | trans | -84.3 | 128.9 | 174.2 | -179.3 | 0 | 0 | 0 | 0 | 109.6 | T17 F22 I278 | T17-V20 HydrophobicContact CG2-CG2 4Å; T17-V20 WeakPolarHBondContact O-CB 3.32Å; T17-V20 PolarHBondContact O-N 2.99Å; V20-F22 HydrophobicContact CG1-CD1 4.45Å; V20-F22 HydrophobicContact CG1-CD2 4.05Å; V20-F22 HydrophobicContact CG1-CE1 4Å; V20-F22 HydrophobicContact CG1-CE2 3.53Å; V20-F22 HydrophobicContact CG1-CG 4.49Å; V20-F22 HydrophobicContact CG1-CZ 3.51Å; V20-I278 HydrophobicContact CG2-CD1 3.55Å; V20-I278 HydrophobicContact CG2-CG1 4.15Å | ||
| 21 | N | 84.6 | Confident | 89.4 | Confident | 132 Ų | 132 | 43.8 Ų | 43.8 | 71% | 0.706 | 25% | 0.254 | S | S | * | . | trans | -152.6 | 104.2 | 173.4 | -175.5 | -14.3 | 0 | 0 | 0 | 108.7 | ||||
| 22 | F | 85.7 | Confident | 89.3 | Confident | 5 Ų | 5 | 49.1 Ų | 49.1 | 2% | 0.022 | 28% | 0.277 | C | S | . | . | trans | -87.3 | 129 | -177.6 | -58.5 | -64.7 | 0 | 0 | 0 | 110 | E15 V20 E26 K27 I30 I231 F275 | E15-F22 HydrophobicContact CB-CD2 4.18Å; E15-F22 HydrophobicContact CB-CE2 4.32Å; E15-F22 HydrophobicContact CG-CD2 4.12Å; E15-F22 PolarHBondContact OE1-N 3.45Å; V20-F22 HydrophobicContact CG1-CD1 4.45Å; V20-F22 HydrophobicContact CG1-CD2 4.05Å; V20-F22 HydrophobicContact CG1-CE1 4Å; V20-F22 HydrophobicContact CG1-CE2 3.53Å; V20-F22 HydrophobicContact CG1-CG 4.49Å; V20-F22 HydrophobicContact CG1-CZ 3.51Å; F22-E26 HydrophobicContact CB-CB 4.31Å; F22-K27 HydrophobicContact CB-CD 4.39Å; F22-K27 HydrophobicContact CB-CG 3.55Å; F22-K27 HydrophobicContact CG-CG 4.49Å; F22-K27 WeakPolarHBondContact O-CE 3.23Å; F22-I30 HydrophobicContact CD1-CD1 3.82Å; F22-I30 HydrophobicContact CD2-CD1 4.49Å; F22-I30 HydrophobicContact CE1-CD1 3.73Å; F22-I30 HydrophobicContact CE2-CD1 4.43Å; F22-I30 HydrophobicContact CG-CD1 4.19Å; F22-I30 HydrophobicContact CZ-CD1 4.06Å; F22-I231 HydrophobicContact CZ-CD1 4.33Å; F22-F275 HydrophobicContact CD1-CB 3.87Å; F22-F275 HydrophobicContact CE1-CB 3.77Å | ||
| 23 | S | 83.7 | Confident | 89.2 | Confident | 54 Ų | 54 | 49.6 Ų | 49.6 | 38% | 0.378 | 28% | 0.278 | S | S | . | . | trans | -62.7 | 154.3 | 165.7 | 69.6 | 0 | 0 | 0 | 0 | 110.8 | K25 E26 K27 | S23-K25 PolarHBondContact O-N 3.2Å; S23-K25 VanDerWaalsContact O-N 3.08Å; S23-E26 VanDerWaalsContact CB-OE2 3.24Å; S23-E26 WeakPolarHBondContact CB-OE2 3.48Å; S23-E26 PolarHBondContact N-OE2 3.28Å; S23-E26 WeakPolarHBondContact O-CA 3.42Å; S23-E26 WeakPolarHBondContact O-CB 3.21Å; S23-E26 PolarHBondContact O-N 2.89Å; S23-E26 VanDerWaalsContact OG-CG 3.29Å; S23-E26 WeakPolarHBondContact OG-CG 3.26Å; S23-E26 PolarHBondContact OG-N 3.05Å; S23-E26 PolarHBondContact OG-OE2 3.49Å; S23-K27 WeakPolarHBondContact O-CG 3.37Å; S23-K27 PolarHBondContact O-N 3.33Å | ||
| 24 | I | 88.7 | Confident | 89.3 | Confident | 44 Ų | 44 | 49.4 Ų | 49.4 | 23% | 0.226 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -53.1 | -36.7 | 177.4 | -63.4 | 170.5 | 0 | 0 | 0 | 111.6 | K27 V28 E55 A56 Q59 | I24-K27 PolarHBondContact O-N 2.53Å; I24-V28 WeakPolarHBondContact O-CG2 3.14Å; I24-V28 PolarHBondContact O-N 3.37Å; I24-E55 HydrophobicContact CD1-CB 4.18Å; I24-E55 HydrophobicContact CD1-CG 3.89Å; I24-A56 HydrophobicContact CG1-CB 4.27Å; I24-Q59 HydrophobicContact CG2-CB 4.43Å; I24-Q59 HydrophobicContact CG2-CG 4.41Å |
| 25 | K | 84 | Confident | 89.4 | Confident | 178 Ų | 178 | 51 Ų | 51 | 77% | 0.774 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -64.8 | -43.2 | 176.6 | -69.2 | -177 | -179.6 | 177.1 | 0 | 112.2 | S23 V28 A29 | S23-K25 PolarHBondContact O-N 3.2Å; S23-K25 VanDerWaalsContact O-N 3.08Å; K25-V28 PolarHBondContact O-N 3.27Å; K25-A29 WeakPolarHBondContact O-CB 3.4Å; K25-A29 PolarHBondContact O-N 3.43Å |
| 26 | E | 86.7 | Confident | 89.6 | Confident | 54 Ų | 54 | 54.2 Ų | 54.2 | 25% | 0.252 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -65.6 | -43 | 176 | -71 | 159.4 | 150.5 | 0 | 0 | 110.7 | F22 S23 V28 A29 I30 F275 | F22-E26 HydrophobicContact CB-CB 4.31Å; S23-E26 VanDerWaalsContact CB-OE2 3.24Å; S23-E26 WeakPolarHBondContact CB-OE2 3.48Å; S23-E26 PolarHBondContact N-OE2 3.28Å; S23-E26 WeakPolarHBondContact O-CA 3.42Å; S23-E26 WeakPolarHBondContact O-CB 3.21Å; S23-E26 PolarHBondContact O-N 2.89Å; S23-E26 VanDerWaalsContact OG-CG 3.29Å; S23-E26 WeakPolarHBondContact OG-CG 3.26Å; S23-E26 PolarHBondContact OG-N 3.05Å; S23-E26 PolarHBondContact OG-OE2 3.49Å; E26-V28 PolarHBondContact O-N 3.27Å; E26-A29 WeakPolarHBondContact O-CB 3.37Å; E26-A29 PolarHBondContact O-N 3.12Å; E26-A29 VanDerWaalsContact O-N 3.1Å; E26-I30 VanDerWaalsContact O-CG1 3.31Å; E26-I30 WeakPolarHBondContact O-CG1 3.39Å; E26-I30 PolarHBondContact O-N 3.45Å; E26-F275 HydrophobicContact CB-CB 4.47Å; E26-F275 HydrophobicContact CB-CD2 3.93Å; E26-F275 HydrophobicContact CB-CE2 4.2Å; E26-F275 HydrophobicContact CB-CG 4.1Å; E26-F275 HydrophobicContact CG-CB 4.44Å; E26-F275 HydrophobicContact CG-CD1 3.8Å; E26-F275 HydrophobicContact CG-CD2 4.05Å; E26-F275 HydrophobicContact CG-CE1 3.95Å; E26-F275 HydrophobicContact CG-CE2 4.17Å; E26-F275 HydrophobicContact CG-CG 3.87Å; E26-F275 HydrophobicContact CG-CZ 4.12Å |
| 27 | K | 94.6 | Very high | 90 | Very high | 12 Ų | 12 | 50.4 Ų | 50.4 | 5% | 0.052 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -57.5 | -46 | 175.4 | -64.4 | -170.1 | 175 | -164.8 | 0 | 112.5 | L11 E15 F22 S23 I24 A29 I30 A31 A56 I60 | L11-K27 HydrophobicContact CD2-CB 4.09Å; L11-K27 HydrophobicContact CD2-CG 4.09Å; E15-K27 VanDerWaalsContact CD-CE 3.49Å; E15-K27 VanDerWaalsContact CD-NZ 3.3Å; E15-K27 WeakPolarHBondContact OE1-CE 3.25Å; E15-K27 IonicContact OE1-NZ 2.74Å; E15-K27 PolarHBondContact OE1-NZ 3.34Å; E15-K27 VanDerWaalsContact OE2-CE 3.27Å; E15-K27 WeakPolarHBondContact OE2-CE 3.44Å; E15-K27 IonicContact OE2-NZ 2.81Å; E15-K27 PolarHBondContact OE2-NZ 2.84Å; F22-K27 HydrophobicContact CB-CD 4.39Å; F22-K27 HydrophobicContact CB-CG 3.55Å; F22-K27 HydrophobicContact CG-CG 4.49Å; F22-K27 WeakPolarHBondContact O-CE 3.23Å; S23-K27 WeakPolarHBondContact O-CG 3.37Å; S23-K27 PolarHBondContact O-N 3.33Å; I24-K27 PolarHBondContact O-N 2.53Å; K27-A29 VanDerWaalsContact C-N 3.34Å; K27-A29 PolarHBondContact O-N 2.98Å; K27-I30 PolarHBondContact O-N 3.37Å; K27-A31 WeakPolarHBondContact O-CB 3.18Å; K27-A31 PolarHBondContact O-N 3.21Å; K27-A56 HydrophobicContact CD-CB 3.76Å; K27-I60 HydrophobicContact CB-CD1 4.2Å |
| 28 | V | 91.4 | Very high | 90.5 | Very high | 18 Ų | 18 | 50.3 Ų | 50.3 | 11% | 0.109 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.4 | -38.1 | 175.8 | 170.9 | 0 | 0 | 0 | 0 | 111.8 | I24 K25 E26 A31 K32 Q59 I60 V63 | I24-V28 WeakPolarHBondContact O-CG2 3.14Å; I24-V28 PolarHBondContact O-N 3.37Å; K25-V28 PolarHBondContact O-N 3.27Å; E26-V28 PolarHBondContact O-N 3.27Å; V28-A31 PolarHBondContact O-N 3.07Å; V28-K32 HydrophobicContact CG1-CD 4.47Å; V28-K32 WeakPolarHBondContact O-CG 3.11Å; V28-K32 PolarHBondContact O-N 2.64Å; V28-K32 VanDerWaalsContact O-N 3.12Å; V28-Q59 HydrophobicContact CG2-CB 3.93Å; V28-I60 HydrophobicContact CG2-CG1 4.13Å; V28-V63 HydrophobicContact CG1-CG2 4.1Å |
| 29 | A | 88.5 | Confident | 91.3 | Very high | 37 Ų | 37 | 45 Ų | 45 | 31% | 0.306 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -66.8 | -43.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | K25 E26 K27 K32 R33 F275 | K25-A29 WeakPolarHBondContact O-CB 3.4Å; K25-A29 PolarHBondContact O-N 3.43Å; E26-A29 WeakPolarHBondContact O-CB 3.37Å; E26-A29 PolarHBondContact O-N 3.12Å; E26-A29 VanDerWaalsContact O-N 3.1Å; K27-A29 VanDerWaalsContact C-N 3.34Å; K27-A29 PolarHBondContact O-N 2.98Å; A29-K32 PolarHBondContact O-N 3.04Å; A29-R33 PolarHBondContact O-N 3.4Å; A29-R33 VanDerWaalsContact O-N 3.07Å; A29-F275 HydrophobicContact CB-CE2 3.97Å; A29-F275 HydrophobicContact CB-CZ 4.44Å |
| 30 | I | 92.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.1 | -48.2 | 173.3 | -68.4 | 166 | 0 | 0 | 0 | 109.8 | L11 F22 E26 K27 K32 R33 L34 I272 F275 | L11-I30 HydrophobicContact CD1-CG2 4.47Å; L11-I30 HydrophobicContact CD2-CB 3.89Å; L11-I30 HydrophobicContact CD2-CD1 3.93Å; L11-I30 HydrophobicContact CD2-CG2 3.66Å; L11-I30 HydrophobicContact CG-CG2 4.14Å; F22-I30 HydrophobicContact CD1-CD1 3.82Å; F22-I30 HydrophobicContact CD2-CD1 4.49Å; F22-I30 HydrophobicContact CE1-CD1 3.73Å; F22-I30 HydrophobicContact CE2-CD1 4.43Å; F22-I30 HydrophobicContact CG-CD1 4.19Å; F22-I30 HydrophobicContact CZ-CD1 4.06Å; E26-I30 VanDerWaalsContact O-CG1 3.31Å; E26-I30 WeakPolarHBondContact O-CG1 3.39Å; E26-I30 PolarHBondContact O-N 3.45Å; K27-I30 PolarHBondContact O-N 3.37Å; I30-K32 VanDerWaalsContact C-N 3.33Å; I30-K32 PolarHBondContact O-N 3.3Å; I30-R33 CarbonylContact O-C 3.54Å; I30-R33 WeakPolarHBondContact O-CA 3.5Å; I30-R33 VanDerWaalsContact O-CB 3.32Å; I30-R33 WeakPolarHBondContact O-CB 3.33Å; I30-R33 PolarHBondContact O-N 3.15Å; I30-L34 HydrophobicContact CG2-CD1 3.68Å; I30-L34 HydrophobicContact CG2-CG 4.08Å; I30-L34 WeakPolarHBondContact O-CG 3.32Å; I30-L34 PolarHBondContact O-N 2.84Å; I30-I272 HydrophobicContact CD1-CG1 4.43Å; I30-I272 HydrophobicContact CG1-CG1 4.18Å; I30-I272 HydrophobicContact CG2-CD1 4.13Å; I30-I272 HydrophobicContact CG2-CG1 4.13Å; I30-F275 HydrophobicContact CD1-CB 4.41Å; I30-F275 HydrophobicContact CD1-CD2 3.94Å; I30-F275 HydrophobicContact CG1-CD2 3.75Å; I30-F275 HydrophobicContact CG1-CE2 4.29Å |
| 31 | A | 97.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -56.9 | -44.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L11 K27 V28 R33 L34 E35 I42 I60 M64 | L11-A31 HydrophobicContact CD1-CB 4.05Å; K27-A31 WeakPolarHBondContact O-CB 3.18Å; K27-A31 PolarHBondContact O-N 3.21Å; V28-A31 PolarHBondContact O-N 3.07Å; A31-R33 VanDerWaalsContact C-N 3.3Å; A31-R33 PolarHBondContact O-N 2.92Å; A31-L34 PolarHBondContact O-N 3.17Å; A31-E35 PolarHBondContact O-N 2.99Å; A31-I42 HydrophobicContact CB-CD1 4.14Å; A31-I60 HydrophobicContact CB-CD1 4.45Å; A31-I60 HydrophobicContact CB-CG1 4.05Å; A31-I60 HydrophobicContact CB-CG2 3.84Å; A31-M64 HydrophobicContact CB-CE 3.84Å; A31-M64 HydrophobicContact CB-SD 4.11Å |
| 32 | K | 94.5 | Very high | 93.4 | Very high | 111 Ų | 111 | 35.7 Ų | 35.7 | 48% | 0.483 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -63.5 | -35.7 | 174.5 | -71.6 | 176.9 | 179.2 | -178.2 | 0 | 112.7 | V28 A29 I30 K36 M64 | V28-K32 HydrophobicContact CG1-CD 4.47Å; V28-K32 WeakPolarHBondContact O-CG 3.11Å; V28-K32 PolarHBondContact O-N 2.64Å; V28-K32 VanDerWaalsContact O-N 3.12Å; A29-K32 PolarHBondContact O-N 3.04Å; I30-K32 VanDerWaalsContact C-N 3.33Å; I30-K32 PolarHBondContact O-N 3.3Å; K32-K36 PolarHBondContact O-N 3.27Å; K32-K36 VanDerWaalsContact O-N 3.12Å; K32-M64 HydrophobicContact CG-CE 3.88Å |
| 33 | R | 94.9 | Very high | 94 | Very high | 38 Ų | 38 | 35.4 Ų | 35.4 | 14% | 0.143 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -67.6 | -42.2 | 176.3 | -175.1 | 71 | -168.1 | 156 | 16.5 | 111.3 | A29 I30 A31 K36 W37 E264 T268 L271 | A29-R33 PolarHBondContact O-N 3.4Å; A29-R33 VanDerWaalsContact O-N 3.07Å; I30-R33 CarbonylContact O-C 3.54Å; I30-R33 WeakPolarHBondContact O-CA 3.5Å; I30-R33 VanDerWaalsContact O-CB 3.32Å; I30-R33 WeakPolarHBondContact O-CB 3.33Å; I30-R33 PolarHBondContact O-N 3.15Å; A31-R33 VanDerWaalsContact C-N 3.3Å; A31-R33 PolarHBondContact O-N 2.92Å; R33-K36 WeakPolarHBondContact O-CB 3.22Å; R33-K36 PolarHBondContact O-N 2.91Å; R33-W37 WeakPolarHBondContact O-CB 3.42Å; R33-W37 PolarHBondContact O-N 3.31Å; R33-E264 IonicContact CZ-OE2 2.75Å; R33-E264 IonicContact NH1-OE2 3.33Å; R33-E264 PolarHBondContact NH1-OE2 2.92Å; R33-E264 VanDerWaalsContact NH2-CB 3.35Å; R33-E264 PolarHBondContact NH2-O 3.49Å; R33-E264 IonicContact NH2-OE2 3.2Å; R33-E264 PolarHBondContact NH2-OE2 3.09Å; R33-T268 HydrophobicContact CG-CG2 3.92Å; R33-T268 WeakPolarHBondContact CG-OG1 3.37Å; R33-T268 PolarHBondContact NE-OG1 3.36Å; R33-T268 PolarHBondContact NH2-OG1 3.48Å; R33-L271 HydrophobicContact CB-CD2 3.59Å; R33-L271 HydrophobicContact CG-CD2 3.67Å |
| 34 | L | 98.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64.3 | -43.2 | 176.4 | -67.9 | 170.1 | 0 | 0 | 0 | 111.7 | D8 I30 A31 K36 W37 G38 I39 I42 V228 T268 I272 | D8-L34 HydrophobicContact CB-CD1 4.02Å; D8-L34 HydrophobicContact CB-CD2 4.22Å; D8-L34 VanDerWaalsContact CG-CD1 3.49Å; D8-L34 WeakPolarHBondContact OD1-CD1 3.35Å; I30-L34 HydrophobicContact CG2-CD1 3.68Å; I30-L34 HydrophobicContact CG2-CG 4.08Å; I30-L34 WeakPolarHBondContact O-CG 3.32Å; I30-L34 PolarHBondContact O-N 2.84Å; A31-L34 PolarHBondContact O-N 3.17Å; L34-K36 VanDerWaalsContact C-N 3.32Å; L34-K36 PolarHBondContact O-N 3.16Å; L34-W37 HydrophobicContact CD2-CE3 4.14Å; L34-W37 PolarHBondContact O-N 3.02Å; L34-W37 VanDerWaalsContact O-N 3.12Å; L34-G38 PolarHBondContact O-N 3.33Å; L34-I39 HydrophobicContact CB-CB 4.2Å; L34-I39 HydrophobicContact CB-CG1 3.92Å; L34-I39 HydrophobicContact CD2-CG1 4.01Å; L34-I39 WeakPolarHBondContact O-CB 3.48Å; L34-I39 WeakPolarHBondContact O-CG1 3.47Å; L34-I39 PolarHBondContact O-N 2.94Å; L34-I39 VanDerWaalsContact O-N 3.12Å; L34-I42 HydrophobicContact CB-CD1 3.81Å; L34-I42 HydrophobicContact CB-CG1 4.24Å; L34-I42 HydrophobicContact CD1-CD1 4.15Å; L34-I42 HydrophobicContact CD1-CG1 4.15Å; L34-I42 HydrophobicContact CD1-CG2 4.46Å; L34-V228 HydrophobicContact CD2-CG2 3.88Å; L34-T268 HydrophobicContact CD2-CG2 4.21Å; L34-I272 HydrophobicContact CD2-CD1 4.4Å |
| 35 | E | 97.1 | Very high | 95 | Very high | 34 Ų | 34 | 30.9 Ų | 30.9 | 16% | 0.159 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -58.6 | -44.2 | 172.9 | 177.9 | 166.4 | -98.6 | 0 | 0 | 111.1 | A31 W37 G38 M64 T65 T66 T67 | A31-E35 PolarHBondContact O-N 2.99Å; E35-W37 VanDerWaalsContact C-N 3.31Å; E35-W37 PolarHBondContact O-N 3.3Å; E35-G38 PolarHBondContact O-N 3.27Å; E35-G38 VanDerWaalsContact O-N 3.15Å; E35-M64 HydrophobicContact CB-SD 4.04Å; E35-T65 PolarHBondContact OE1-N 3.02Å; E35-T65 PolarHBondContact OE2-OG1 3.43Å; E35-T65 VanDerWaalsContact OE2-OG1 3.09Å; E35-T66 WeakPolarHBondContact CG-OG1 3.33Å; E35-T66 PolarHBondContact OE1-N 3.33Å; E35-T66 PolarHBondContact OE1-OG1 3.39Å; E35-T66 VanDerWaalsContact OE1-OG1 3.14Å; E35-T67 WeakPolarHBondContact CA-OG1 3.45Å; E35-T67 WeakPolarHBondContact CB-OG1 3.26Å; E35-T67 WeakPolarHBondContact CG-OG1 3.36Å; E35-T67 PolarHBondContact OE1-N 2.83Å |
| 36 | K | 94.9 | Very high | 95.5 | Very high | 112 Ų | 112 | 24.2 Ų | 24.2 | 49% | 0.487 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -63.7 | -34.6 | 175.3 | -167.1 | -171.4 | -177.3 | -151.3 | 0 | 112.9 | K32 R33 L34 G38 E264 | K32-K36 PolarHBondContact O-N 3.27Å; K32-K36 VanDerWaalsContact O-N 3.12Å; R33-K36 WeakPolarHBondContact O-CB 3.22Å; R33-K36 PolarHBondContact O-N 2.91Å; L34-K36 VanDerWaalsContact C-N 3.32Å; L34-K36 PolarHBondContact O-N 3.16Å; K36-G38 PolarHBondContact O-N 3.41Å; K36-E264 WeakPolarHBondContact CE-OE1 3.38Å; K36-E264 WeakPolarHBondContact CE-OE2 3.37Å; K36-E264 IonicContact NZ-OE1 2.75Å; K36-E264 PolarHBondContact NZ-OE1 2.91Å; K36-E264 IonicContact NZ-OE2 2.61Å; K36-E264 PolarHBondContact NZ-OE2 3.45Å |
| 37 | W | 97.4 | Very high | 96 | Very high | 1 Ų | 1 | 21.8 Ų | 21.8 | 0% | 0.004 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -72.9 | -13.3 | 178.2 | -169.6 | 36.9 | 0 | 0 | 0 | 112.8 | R33 L34 E35 I39 V228 L240 E241 A244 I260 V261 T265 T268 | R33-W37 WeakPolarHBondContact O-CB 3.42Å; R33-W37 PolarHBondContact O-N 3.31Å; L34-W37 HydrophobicContact CD2-CE3 4.14Å; L34-W37 PolarHBondContact O-N 3.02Å; L34-W37 VanDerWaalsContact O-N 3.12Å; E35-W37 VanDerWaalsContact C-N 3.31Å; E35-W37 PolarHBondContact O-N 3.3Å; W37-I39 HydrophobicContact CE3-CD1 3.78Å; W37-I39 HydrophobicContact CE3-CG1 3.87Å; W37-I39 HydrophobicContact CZ3-CD1 3.86Å; W37-I39 HydrophobicContact CZ3-CG1 4.41Å; W37-V228 HydrophobicContact CE3-CG2 4.22Å; W37-V228 HydrophobicContact CH2-CG2 4.16Å; W37-V228 HydrophobicContact CZ3-CG2 3.55Å; W37-L240 HydrophobicContact CH2-CB 3.78Å; W37-L240 HydrophobicContact CZ3-CB 4.02Å; W37-L240 HydrophobicContact CZ3-CD1 4.42Å; W37-E241 HydrophobicContact CH2-CB 4.24Å; W37-E241 HydrophobicContact CZ2-CB 4.14Å; W37-A244 HydrophobicContact CZ2-CB 4.48Å; W37-I260 HydrophobicContact CD2-CG2 4.26Å; W37-I260 HydrophobicContact CG-CG2 4.38Å; W37-I260 HydrophobicContact CZ2-CG2 4.09Å; W37-I260 CarbonylContact O-C 3.56Å; W37-I260 WeakPolarHBondContact O-CA 3.41Å; W37-V261 PolarHBondContact O-N 3.28Å; W37-T265 HydrophobicContact CZ2-CG2 4.06Å; W37-T265 PolarHBondContact NE1-OG1 2.93Å; W37-T268 HydrophobicContact CD2-CG2 4.24Å; W37-T268 HydrophobicContact CE3-CG2 4.11Å; W37-T268 HydrophobicContact CG-CG2 4.48Å |
| 38 | G | 97.9 | Very high | 96.1 | Very high | 18 Ų | 18 | 23 Ų | 23 | 19% | 0.186 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 98.7 | 20 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | L34 E35 K36 A40 | L34-G38 PolarHBondContact O-N 3.33Å; E35-G38 PolarHBondContact O-N 3.27Å; E35-G38 VanDerWaalsContact O-N 3.15Å; K36-G38 PolarHBondContact O-N 3.41Å; G38-A40 PolarHBondContact O-N 3.39Å |
| 39 | I | 98.5 | Very high | 96.2 | Very high | 3 Ų | 3 | 25.4 Ų | 25.4 | 2% | 0.015 | 15% | 0.148 | C | C | . | . | trans | -64.8 | 130.2 | 175.2 | -67.1 | -63 | 0 | 0 | 0 | 110.4 | F6 D8 L34 W37 S41 I42 T67 L240 I260 | F6-I39 HydrophobicContact CB-CD1 3.75Å; D8-I39 HydrophobicContact CB-CD1 4.14Å; D8-I39 HydrophobicContact CB-CG1 4.25Å; D8-I39 HydrophobicContact CB-CG2 3.9Å; L34-I39 HydrophobicContact CB-CB 4.2Å; L34-I39 HydrophobicContact CB-CG1 3.92Å; L34-I39 HydrophobicContact CD2-CG1 4.01Å; L34-I39 WeakPolarHBondContact O-CB 3.48Å; L34-I39 WeakPolarHBondContact O-CG1 3.47Å; L34-I39 PolarHBondContact O-N 2.94Å; L34-I39 VanDerWaalsContact O-N 3.12Å; W37-I39 HydrophobicContact CE3-CD1 3.78Å; W37-I39 HydrophobicContact CE3-CG1 3.87Å; W37-I39 HydrophobicContact CZ3-CD1 3.86Å; W37-I39 HydrophobicContact CZ3-CG1 4.41Å; I39-S41 WeakPolarHBondContact CG2-O 3.49Å; I39-I42 HydrophobicContact CG2-CG1 3.76Å; I39-T67 HydrophobicContact CG2-CG2 4.23Å; I39-T67 WeakPolarHBondContact O-CB 3.31Å; I39-T67 VanDerWaalsContact O-CG2 3.25Å; I39-T67 WeakPolarHBondContact O-CG2 3.35Å; I39-T67 PolarHBondContact O-OG1 3.37Å; I39-L240 HydrophobicContact CD1-CD1 4.1Å; I39-I260 HydrophobicContact CD1-CD1 3.91Å | ||
| 40 | A | 98.4 | Very high | 96.5 | Very high | 30 Ų | 30 | 26 Ų | 26 | 25% | 0.248 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -79.4 | -36.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | E5 F6 G38 A68 | E5-A40 HydrophobicContact CB-CB 3.99Å; E5-A40 HydrophobicContact CG-CB 4.26Å; F6-A40 PolarHBondContact O-N 2.59Å; G38-A40 PolarHBondContact O-N 3.39Å; A40-A68 PolarHBondContact O-N 3.11Å |
| 41 | S | 98.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 144.8 | 175.8 | -166.1 | 0 | 0 | 0 | 0 | 111.6 | F6 L7 D8 I39 A68 S70 Q94 | F6-S41 PolarHBondContact O-N 3.04Å; L7-S41 CarbonylContact C-O 3.39Å; L7-S41 WeakPolarHBondContact CA-O 3.3Å; D8-S41 PolarHBondContact N-O 3.11Å; I39-S41 WeakPolarHBondContact CG2-O 3.49Å; S41-A68 CarbonylContact C-O 3.5Å; S41-A68 WeakPolarHBondContact CA-O 3.4Å; S41-S70 PolarHBondContact OG-OG 2.63Å; S41-S70 VanDerWaalsContact OG-OG 3.07Å; S41-Q94 PolarHBondContact OG-OE1 3.36Å |
| 42 | I | 98.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 122.7 | 174.6 | -64.4 | 162.6 | 0 | 0 | 0 | 108.2 | L11 A31 L34 I39 A44 M64 T67 A68 S70 | L11-I42 HydrophobicContact CD1-CG2 3.92Å; A31-I42 HydrophobicContact CB-CD1 4.14Å; L34-I42 HydrophobicContact CB-CD1 3.81Å; L34-I42 HydrophobicContact CB-CG1 4.24Å; L34-I42 HydrophobicContact CD1-CD1 4.15Å; L34-I42 HydrophobicContact CD1-CG1 4.15Å; L34-I42 HydrophobicContact CD1-CG2 4.46Å; I39-I42 HydrophobicContact CG2-CG1 3.76Å; I42-A44 HydrophobicContact CG2-CB 4.42Å; I42-A44 PolarHBondContact O-N 2.92Å; I42-A44 VanDerWaalsContact O-N 3.12Å; I42-M64 HydrophobicContact CD1-SD 3.91Å; I42-T67 HydrophobicContact CB-CG2 4.42Å; I42-T67 HydrophobicContact CD1-CG2 3.63Å; I42-T67 HydrophobicContact CG1-CG2 3.64Å; I42-A68 PolarHBondContact N-O 2.96Å; I42-S70 PolarHBondContact O-N 3.14Å |
| 43 | E | 98.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 93.4 | 164.9 | -170.7 | 173.2 | 74.7 | 0 | 0 | 109 | L7 D8 T9 R12 G45 S70 H96 | L7-E43 HydrophobicContact CD2-CB 3.94Å; D8-E43 PolarHBondContact O-N 3.47Å; T9-E43 HydrophobicContact CG2-CB 4.03Å; R12-E43 HydrophobicContact CB-CG 4.01Å; R12-E43 HydrophobicContact CG-CG 4.29Å; R12-E43 IonicContact CZ-OE1 3.81Å; R12-E43 IonicContact NE-OE1 3.58Å; R12-E43 PolarHBondContact NE-OE1 2.87Å; R12-E43 IonicContact NH2-OE1 3.12Å; R12-E43 PolarHBondContact NH2-OE1 3.25Å; E43-G45 PolarHBondContact O-N 3.49Å; E43-S70 WeakPolarHBondContact CA-O 3.49Å; E43-H96 IonicContact OE2-CE1 3.97Å; E43-H96 IonicContact OE2-CG 2.74Å; E43-H96 IonicContact OE2-ND1 3.74Å; E43-H96 PolarHBondContact OE2-ND1 2.87Å |
| 44 | A | 97.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | -7.9 | -166.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | I42 V57 I60 V69 S70 | I42-A44 HydrophobicContact CG2-CB 4.42Å; I42-A44 PolarHBondContact O-N 2.92Å; I42-A44 VanDerWaalsContact O-N 3.12Å; A44-V57 HydrophobicContact CB-CB 4.48Å; A44-V57 HydrophobicContact CB-CG1 4.43Å; A44-V57 HydrophobicContact CB-CG2 3.94Å; A44-I60 HydrophobicContact CB-CB 4.29Å; A44-I60 HydrophobicContact CB-CD1 3.8Å; A44-I60 HydrophobicContact CB-CG2 4.03Å; A44-V69 HydrophobicContact CB-CG1 3.64Å; A44-S70 PolarHBondContact N-O 2.98Å |
| 45 | G | 95.1 | Very high | 96.3 | Very high | 2 Ų | 2 | 35.2 Ų | 35.2 | 2% | 0.021 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 151.2 | -168.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | E43 P47 L72 | E43-G45 PolarHBondContact O-N 3.49Å; G45-P47 WeakPolarHBondContact O-CD 3.4Å; G45-L72 PolarHBondContact O-N 2.96Å; G45-L72 VanDerWaalsContact O-N 3.17Å |
| 46 | F | 96 | Very high | 96.2 | Very high | 38 Ų | 38 | 33.6 Ų | 33.6 | 17% | 0.167 | 20% | 0.203 | C | C | . | . | trans | -116.2 | 92.1 | 173 | -174.2 | 175.5 | 0 | 0 | 0 | 108.7 | A48 A49 S53 L72 R74 D79 | F46-A48 HydrophobicContact CD2-CB 4.14Å; F46-A48 HydrophobicContact CE2-CB 3.68Å; F46-A48 PolarHBondContact O-N 2.78Å; F46-A48 VanDerWaalsContact O-N 3.09Å; F46-A49 HydrophobicContact CB-CB 3.99Å; F46-A49 HydrophobicContact CD1-CB 4.04Å; F46-A49 HydrophobicContact CG-CB 3.93Å; F46-A49 VanDerWaalsContact O-CB 3.25Å; F46-A49 WeakPolarHBondContact O-CB 3.42Å; F46-A49 PolarHBondContact O-N 3.35Å; F46-S53 PolarHBondContact N-OG 3.24Å; F46-S53 WeakPolarHBondContact O-CB 3.29Å; F46-S53 PolarHBondContact O-OG 3.49Å; F46-L72 HydrophobicContact CB-CB 4.43Å; F46-L72 HydrophobicContact CD1-CD2 4.39Å; F46-L72 WeakPolarHBondContact CD2-O 3.38Å; F46-L72 WeakPolarHBondContact CE2-O 3.41Å; F46-R74 HydrophobicContact CE1-CG 4.28Å; F46-R74 HydrophobicContact CZ-CG 3.79Å; F46-D79 HydrophobicContact CE2-CB 4.35Å; F46-D79 WeakPolarHBondContact CE2-OD2 3.41Å; F46-D79 VanDerWaalsContact CZ-OD2 3.24Å; F46-D79 WeakPolarHBondContact CZ-OD2 3.24Å | ||
| 47 | P | 96.6 | Very high | 96.4 | Very high | 4 Ų | 4 | 28.3 Ų | 28.3 | 3% | 0.026 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -33.2 | -172 | -31.6 | 37.5 | 0 | 0 | 0 | 115.2 | G45 A49 F54 V57 A82 C83 A86 | G45-P47 WeakPolarHBondContact O-CD 3.4Å; P47-A49 VanDerWaalsContact C-N 3.31Å; P47-A49 PolarHBondContact O-N 2.88Å; P47-F54 HydrophobicContact CB-CD2 4.18Å; P47-V57 HydrophobicContact CG-CB 4.21Å; P47-V57 HydrophobicContact CG-CG1 4.08Å; P47-V57 HydrophobicContact CG-CG2 4Å; P47-A82 HydrophobicContact CB-CB 4.18Å; P47-C83 HydrophobicContact CG-CB 4.47Å; P47-A86 HydrophobicContact CB-CB 3.98Å; P47-A86 HydrophobicContact CG-CB 4.05Å |
| 48 | A | 97 | Very high | 96.4 | Very high | 37 Ų | 37 | 33.4 Ų | 33.4 | 31% | 0.306 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -9.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | F46 D79 A82 | F46-A48 HydrophobicContact CD2-CB 4.14Å; F46-A48 HydrophobicContact CE2-CB 3.68Å; F46-A48 PolarHBondContact O-N 2.78Å; F46-A48 VanDerWaalsContact O-N 3.09Å; A48-D79 HydrophobicContact CB-CB 3.98Å; A48-A82 HydrophobicContact CB-CB 3.97Å |
| 49 | A | 93.8 | Very high | 96.4 | Very high | 68 Ų | 68 | 36.1 Ų | 36.1 | 56% | 0.562 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74 | -39.5 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113 | F46 P47 | F46-A49 HydrophobicContact CB-CB 3.99Å; F46-A49 HydrophobicContact CD1-CB 4.04Å; F46-A49 HydrophobicContact CG-CB 3.93Å; F46-A49 VanDerWaalsContact O-CB 3.25Å; F46-A49 WeakPolarHBondContact O-CB 3.42Å; F46-A49 PolarHBondContact O-N 3.35Å; P47-A49 VanDerWaalsContact C-N 3.31Å; P47-A49 PolarHBondContact O-N 2.88Å |
| 50 | S | 93.2 | Very high | 96.3 | Very high | 49 Ų | 49 | 36 Ų | 36 | 34% | 0.343 | 21% | 0.207 | S | C | . | . | trans | -160.6 | 158.5 | 179.1 | 71.4 | 0 | 0 | 0 | 0 | 111.8 | D52 S53 F54 | S50-D52 PolarHBondContact O-N 3.19Å; S50-S53 WeakPolarHBondContact O-CB 3.39Å; S50-S53 PolarHBondContact O-N 3.3Å; S50-S53 WeakPolarHBondContact OG-CB 3.16Å; S50-S53 PolarHBondContact OG-N 3.46Å; S50-F54 PolarHBondContact O-N 2.99Å | ||
| 51 | P | 94.4 | Very high | 96.3 | Very high | 110 Ų | 110 | 34.6 Ų | 34.6 | 71% | 0.714 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -56.3 | -36.2 | 172 | -26 | 35.6 | 0 | 0 | 0 | 113.5 | F54 E55 | P51-F54 WeakPolarHBondContact O-CB 3.29Å; P51-F54 PolarHBondContact O-N 3.28Å; P51-E55 WeakPolarHBondContact O-CB 3.4Å; P51-E55 PolarHBondContact O-N 2.91Å |
| 52 | D | 90.7 | Very high | 96.2 | Very high | 116 Ų | 116 | 37.6 Ų | 37.6 | 62% | 0.62 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -68.4 | -38.9 | 178.1 | -67.5 | -19.3 | 0 | 0 | 0 | 111.8 | S50 E55 A56 | S50-D52 PolarHBondContact O-N 3.19Å; D52-E55 PolarHBondContact O-N 3.41Å; D52-A56 WeakPolarHBondContact O-CB 3.24Å; D52-A56 PolarHBondContact O-N 3.24Å |
| 53 | S | 93.8 | Very high | 96.1 | Very high | 14 Ų | 14 | 39.9 Ų | 39.9 | 10% | 0.098 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.9 | -43.2 | 174 | -175.6 | 0 | 0 | 0 | 0 | 111.2 | F46 S50 A56 V57 | F46-S53 PolarHBondContact N-OG 3.24Å; F46-S53 WeakPolarHBondContact O-CB 3.29Å; F46-S53 PolarHBondContact O-OG 3.49Å; S50-S53 WeakPolarHBondContact O-CB 3.39Å; S50-S53 PolarHBondContact O-N 3.3Å; S50-S53 WeakPolarHBondContact OG-CB 3.16Å; S50-S53 PolarHBondContact OG-N 3.46Å; S53-A56 PolarHBondContact O-N 3.38Å; S53-V57 WeakPolarHBondContact O-CG2 3.46Å; S53-V57 PolarHBondContact O-N 3.38Å |
| 54 | F | 97.7 | Very high | 96 | Very high | 59 Ų | 59 | 40.3 Ų | 40.3 | 26% | 0.259 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -58.2 | -49 | 173.7 | -175.3 | -83.5 | 0 | 0 | 0 | 111.8 | P47 S50 P51 V57 R58 A82 E85 A86 | P47-F54 HydrophobicContact CB-CD2 4.18Å; S50-F54 PolarHBondContact O-N 2.99Å; P51-F54 WeakPolarHBondContact O-CB 3.29Å; P51-F54 PolarHBondContact O-N 3.28Å; F54-V57 PolarHBondContact O-N 3.15Å; F54-R58 WeakPolarHBondContact O-CB 3.22Å; F54-R58 PolarHBondContact O-N 2.73Å; F54-A82 WeakPolarHBondContact CE2-O 3.44Å; F54-E85 HydrophobicContact CE2-CB 3.9Å; F54-E85 HydrophobicContact CZ-CB 3.89Å; F54-A86 HydrophobicContact CD2-CB 3.88Å; F54-A86 HydrophobicContact CE2-CB 3.73Å; F54-A86 HydrophobicContact CG-CB 4.38Å; F54-A86 HydrophobicContact CZ-CB 4.09Å |
| 55 | E | 97.5 | Very high | 96 | Very high | 44 Ų | 44 | 43.9 Ų | 43.9 | 21% | 0.206 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.4 | -39.3 | 180 | -177.6 | 58.6 | -156.7 | 0 | 0 | 112.1 | I24 P51 D52 R58 Q59 | I24-E55 HydrophobicContact CD1-CB 4.18Å; I24-E55 HydrophobicContact CD1-CG 3.89Å; P51-E55 WeakPolarHBondContact O-CB 3.4Å; P51-E55 PolarHBondContact O-N 2.91Å; D52-E55 PolarHBondContact O-N 3.41Å; E55-R58 PolarHBondContact O-N 3.08Å; E55-R58 IonicContact OE1-CZ 3.78Å; E55-R58 IonicContact OE1-NE 3.15Å; E55-R58 IonicContact OE1-NH2 3.7Å; E55-R58 PolarHBondContact OE1-NH2 3.32Å; E55-R58 IonicContact OE2-CZ 3.38Å; E55-R58 IonicContact OE2-NE 3.54Å; E55-R58 PolarHBondContact OE2-NE 2.83Å; E55-R58 VanDerWaalsContact OE2-NE 3.12Å; E55-R58 IonicContact OE2-NH1 3.76Å; E55-R58 IonicContact OE2-NH2 2.75Å; E55-R58 PolarHBondContact OE2-NH2 3.19Å; E55-Q59 WeakPolarHBondContact O-CG 3.49Å; E55-Q59 PolarHBondContact O-N 3.23Å; E55-Q59 WeakPolarHBondContact OE1-CG 3.2Å; E55-Q59 PolarHBondContact OE1-NE2 3Å |
| 56 | A | 94.7 | Very high | 96.1 | Very high | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.008 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.8 | -49.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | I24 K27 D52 S53 R58 Q59 I60 | I24-A56 HydrophobicContact CG1-CB 4.27Å; K27-A56 HydrophobicContact CD-CB 3.76Å; D52-A56 WeakPolarHBondContact O-CB 3.24Å; D52-A56 PolarHBondContact O-N 3.24Å; S53-A56 PolarHBondContact O-N 3.38Å; A56-R58 VanDerWaalsContact C-N 3.32Å; A56-R58 PolarHBondContact O-N 3.02Å; A56-Q59 PolarHBondContact O-N 2.87Å; A56-I60 WeakPolarHBondContact O-CD1 3.46Å; A56-I60 VanDerWaalsContact O-CG1 3.31Å; A56-I60 WeakPolarHBondContact O-CG1 3.46Å; A56-I60 PolarHBondContact O-N 3.28Å |
| 57 | V | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62 | -41.1 | 177.9 | 174.1 | 0 | 0 | 0 | 0 | 110.8 | A44 P47 S53 F54 I60 S61 A86 L87 | A44-V57 HydrophobicContact CB-CB 4.48Å; A44-V57 HydrophobicContact CB-CG1 4.43Å; A44-V57 HydrophobicContact CB-CG2 3.94Å; P47-V57 HydrophobicContact CG-CB 4.21Å; P47-V57 HydrophobicContact CG-CG1 4.08Å; P47-V57 HydrophobicContact CG-CG2 4Å; S53-V57 WeakPolarHBondContact O-CG2 3.46Å; S53-V57 PolarHBondContact O-N 3.38Å; F54-V57 PolarHBondContact O-N 3.15Å; V57-I60 PolarHBondContact O-N 2.98Å; V57-S61 VanDerWaalsContact O-CB 3.26Å; V57-S61 WeakPolarHBondContact O-CB 3.33Å; V57-S61 PolarHBondContact O-N 2.97Å; V57-S61 PolarHBondContact O-OG 3.36Å; V57-A86 HydrophobicContact CB-CB 4.14Å; V57-A86 HydrophobicContact CG1-CB 3.79Å; V57-L87 HydrophobicContact CG1-CD2 3.55Å; V57-L87 HydrophobicContact CG1-CG 4.12Å |
| 58 | R | 98.2 | Very high | 96.3 | Very high | 109 Ų | 109 | 47 Ų | 47 | 41% | 0.411 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61.2 | -46.1 | 175.8 | -168.9 | -174.9 | 73.7 | 168.4 | 2.3 | 112.5 | F54 E55 A56 S61 A62 A86 | F54-R58 WeakPolarHBondContact O-CB 3.22Å; F54-R58 PolarHBondContact O-N 2.73Å; E55-R58 PolarHBondContact O-N 3.08Å; E55-R58 IonicContact OE1-CZ 3.78Å; E55-R58 IonicContact OE1-NE 3.15Å; E55-R58 IonicContact OE1-NH2 3.7Å; E55-R58 PolarHBondContact OE1-NH2 3.32Å; E55-R58 IonicContact OE2-CZ 3.38Å; E55-R58 IonicContact OE2-NE 3.54Å; E55-R58 PolarHBondContact OE2-NE 2.83Å; E55-R58 VanDerWaalsContact OE2-NE 3.12Å; E55-R58 IonicContact OE2-NH1 3.76Å; E55-R58 IonicContact OE2-NH2 2.75Å; E55-R58 PolarHBondContact OE2-NH2 3.19Å; A56-R58 VanDerWaalsContact C-N 3.32Å; A56-R58 PolarHBondContact O-N 3.02Å; R58-S61 WeakPolarHBondContact O-CB 3.41Å; R58-S61 PolarHBondContact O-N 3.28Å; R58-A62 PolarHBondContact O-N 3.28Å; R58-A62 VanDerWaalsContact O-N 3.13Å; R58-A86 WeakPolarHBondContact CA-O 3.31Å |
| 59 | Q | 97.6 | Very high | 96.3 | Very high | 75 Ų | 75 | 45.2 Ų | 45.2 | 35% | 0.35 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -67.8 | -38.7 | 179.6 | -71.6 | -168.9 | 31.3 | 0 | 0 | 112.6 | I24 V28 E55 A56 A62 V63 | I24-Q59 HydrophobicContact CG2-CB 4.43Å; I24-Q59 HydrophobicContact CG2-CG 4.41Å; V28-Q59 HydrophobicContact CG2-CB 3.93Å; E55-Q59 WeakPolarHBondContact O-CG 3.49Å; E55-Q59 PolarHBondContact O-N 3.23Å; E55-Q59 WeakPolarHBondContact OE1-CG 3.2Å; E55-Q59 PolarHBondContact OE1-NE2 3Å; A56-Q59 PolarHBondContact O-N 2.87Å; Q59-A62 PolarHBondContact O-N 3.5Å; Q59-V63 WeakPolarHBondContact O-CG2 3.49Å; Q59-V63 PolarHBondContact O-N 3.11Å |
| 60 | I | 97.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.4 | -46.5 | 174.3 | -68.8 | 162.2 | 0 | 0 | 0 | 110.1 | L11 K27 V28 A31 A44 A56 V57 A62 V63 M64 V69 | L11-I60 HydrophobicContact CD1-CD1 3.64Å; K27-I60 HydrophobicContact CB-CD1 4.2Å; V28-I60 HydrophobicContact CG2-CG1 4.13Å; A31-I60 HydrophobicContact CB-CD1 4.45Å; A31-I60 HydrophobicContact CB-CG1 4.05Å; A31-I60 HydrophobicContact CB-CG2 3.84Å; A44-I60 HydrophobicContact CB-CB 4.29Å; A44-I60 HydrophobicContact CB-CD1 3.8Å; A44-I60 HydrophobicContact CB-CG2 4.03Å; A56-I60 WeakPolarHBondContact O-CD1 3.46Å; A56-I60 VanDerWaalsContact O-CG1 3.31Å; A56-I60 WeakPolarHBondContact O-CG1 3.46Å; A56-I60 PolarHBondContact O-N 3.28Å; V57-I60 PolarHBondContact O-N 2.98Å; I60-A62 VanDerWaalsContact C-N 3.26Å; I60-A62 PolarHBondContact O-N 3.5Å; I60-V63 VanDerWaalsContact O-CG2 3.27Å; I60-V63 WeakPolarHBondContact O-CG2 3.01Å; I60-V63 PolarHBondContact O-N 3.4Å; I60-M64 HydrophobicContact CG2-CG 3.88Å; I60-M64 WeakPolarHBondContact O-CG 3.37Å; I60-M64 PolarHBondContact O-N 3.09Å; I60-M64 VanDerWaalsContact O-N 3.14Å; I60-V69 HydrophobicContact CG2-CG1 4.17Å; I60-V69 HydrophobicContact CG2-CG2 4.3Å |
| 61 | S | 97.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -52.4 | -44.3 | 177.2 | -63.9 | 0 | 0 | 0 | 0 | 112.5 | V57 R58 V63 A86 L87 A90 | V57-S61 VanDerWaalsContact O-CB 3.26Å; V57-S61 WeakPolarHBondContact O-CB 3.33Å; V57-S61 PolarHBondContact O-N 2.97Å; V57-S61 PolarHBondContact O-OG 3.36Å; R58-S61 WeakPolarHBondContact O-CB 3.41Å; R58-S61 PolarHBondContact O-N 3.28Å; S61-V63 VanDerWaalsContact C-N 3.29Å; S61-V63 PolarHBondContact O-N 3.1Å; S61-A86 PolarHBondContact OG-O 2.85Å; S61-L87 WeakPolarHBondContact OG-CD2 3.34Å; S61-A90 WeakPolarHBondContact O-CA 3.48Å |
| 62 | A | 97.3 | Very high | 97 | Very high | 64 Ų | 64 | 35 Ų | 35 | 53% | 0.529 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -71 | -18.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | R58 Q59 I60 D89 | R58-A62 PolarHBondContact O-N 3.28Å; R58-A62 VanDerWaalsContact O-N 3.13Å; Q59-A62 PolarHBondContact O-N 3.5Å; I60-A62 VanDerWaalsContact C-N 3.26Å; I60-A62 PolarHBondContact O-N 3.5Å; A62-D89 HydrophobicContact CB-CB 4.23Å |
| 63 | V | 95.7 | Very high | 97.3 | Very high | 47 Ų | 47 | 29.5 Ų | 29.5 | 29% | 0.285 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -107.9 | -17.9 | -175.5 | -60.8 | 0 | 0 | 0 | 0 | 114.8 | V28 Q59 I60 S61 | V28-V63 HydrophobicContact CG1-CG2 4.1Å; Q59-V63 WeakPolarHBondContact O-CG2 3.49Å; Q59-V63 PolarHBondContact O-N 3.11Å; I60-V63 VanDerWaalsContact O-CG2 3.27Å; I60-V63 WeakPolarHBondContact O-CG2 3.01Å; I60-V63 PolarHBondContact O-N 3.4Å; S61-V63 VanDerWaalsContact C-N 3.29Å; S61-V63 PolarHBondContact O-N 3.1Å |
| 64 | M | 97.3 | Very high | 97.5 | Very high | 9 Ų | 9 | 34.6 Ų | 34.6 | 4% | 0.044 | 18% | 0.179 | C | C | . | . | trans | -75.6 | 138.4 | 178.9 | -65.3 | -62.3 | 94.5 | 0 | 0 | 110.9 | A31 K32 E35 I42 I60 V69 | A31-M64 HydrophobicContact CB-CE 3.84Å; A31-M64 HydrophobicContact CB-SD 4.11Å; K32-M64 HydrophobicContact CG-CE 3.88Å; E35-M64 HydrophobicContact CB-SD 4.04Å; I42-M64 HydrophobicContact CD1-SD 3.91Å; I60-M64 HydrophobicContact CG2-CG 3.88Å; I60-M64 WeakPolarHBondContact O-CG 3.37Å; I60-M64 PolarHBondContact O-N 3.09Å; I60-M64 VanDerWaalsContact O-N 3.14Å; M64-V69 HydrophobicContact CB-CG2 3.89Å; M64-V69 HydrophobicContact CG-CG2 3.7Å | ||
| 65 | T | 96.4 | Very high | 97.5 | Very high | 75 Ų | 75 | 32.4 Ų | 32.4 | 46% | 0.46 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -123.7 | -27.8 | -170.7 | 63 | 0 | 0 | 0 | 0 | 114.1 | E35 K91 | E35-T65 PolarHBondContact OE1-N 3.02Å; E35-T65 PolarHBondContact OE2-OG1 3.43Å; E35-T65 VanDerWaalsContact OE2-OG1 3.09Å; T65-K91 VanDerWaalsContact O-CD 3.29Å; T65-K91 WeakPolarHBondContact O-CD 2.96Å; T65-K91 PolarHBondContact O-NZ 2.92Å |
| 66 | T | 96.5 | Very high | 97.5 | Very high | 98 Ų | 98 | 33.1 Ų | 33.1 | 60% | 0.601 | 18% | 0.178 | S | C | * | . | S | Bend | trans | -127.2 | -30.7 | 179.6 | 52.9 | 0 | 0 | 0 | 0 | 112.1 | E35 | E35-T66 WeakPolarHBondContact CG-OG1 3.33Å; E35-T66 PolarHBondContact OE1-N 3.33Å; E35-T66 PolarHBondContact OE1-OG1 3.39Å; E35-T66 VanDerWaalsContact OE1-OG1 3.14Å |
| 67 | T | 98.1 | Very high | 97.7 | Very high | 5 Ų | 5 | 37.2 Ų | 37.2 | 3% | 0.031 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -85 | 138.1 | 179.3 | -62.3 | 0 | 0 | 0 | 0 | 111 | E35 I39 I42 | E35-T67 WeakPolarHBondContact CA-OG1 3.45Å; E35-T67 WeakPolarHBondContact CB-OG1 3.26Å; E35-T67 WeakPolarHBondContact CG-OG1 3.36Å; E35-T67 PolarHBondContact OE1-N 2.83Å; I39-T67 HydrophobicContact CG2-CG2 4.23Å; I39-T67 WeakPolarHBondContact O-CB 3.31Å; I39-T67 VanDerWaalsContact O-CG2 3.25Å; I39-T67 WeakPolarHBondContact O-CG2 3.35Å; I39-T67 PolarHBondContact O-OG1 3.37Å; I42-T67 HydrophobicContact CB-CG2 4.42Å; I42-T67 HydrophobicContact CD1-CG2 3.63Å; I42-T67 HydrophobicContact CG1-CG2 3.64Å |
| 68 | A | 98.5 | Very high | 97.7 | Very high | 6 Ų | 6 | 40.8 Ų | 40.8 | 5% | 0.05 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 154.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112 | A40 S41 I42 Y92 Q94 | A40-A68 PolarHBondContact O-N 3.11Å; S41-A68 CarbonylContact C-O 3.5Å; S41-A68 WeakPolarHBondContact CA-O 3.4Å; I42-A68 PolarHBondContact N-O 2.96Å; A68-Y92 CarbonylContact C-O 3.48Å; A68-Y92 VanDerWaalsContact CA-O 3.28Å; A68-Y92 WeakPolarHBondContact CA-O 3.42Å; A68-Y92 WeakPolarHBondContact CB-O 3.39Å; A68-Q94 HydrophobicContact CB-CG 4.15Å |
| 69 | V | 98.6 | Very high | 97.7 | Very high | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.006 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 116.4 | 179.5 | -169.6 | 0 | 0 | 0 | 0 | 108.9 | A44 I60 M64 L87 A90 Y92 Q94 | A44-V69 HydrophobicContact CB-CG1 3.64Å; I60-V69 HydrophobicContact CG2-CG1 4.17Å; I60-V69 HydrophobicContact CG2-CG2 4.3Å; M64-V69 HydrophobicContact CB-CG2 3.89Å; M64-V69 HydrophobicContact CG-CG2 3.7Å; V69-L87 HydrophobicContact CB-CD2 3.93Å; V69-L87 HydrophobicContact CG1-CD2 3.53Å; V69-A90 HydrophobicContact CB-CB 4.14Å; V69-A90 HydrophobicContact CG2-CB 4.3Å; V69-Y92 PolarHBondContact N-O 3.5Å; V69-Q94 PolarHBondContact O-N 3.49Å |
| 70 | S | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 135.2 | 177.2 | -62.6 | 0 | 0 | 0 | 0 | 110.6 | S41 I42 E43 A44 Q94 | S41-S70 PolarHBondContact OG-OG 2.63Å; S41-S70 VanDerWaalsContact OG-OG 3.07Å; I42-S70 PolarHBondContact O-N 3.14Å; E43-S70 WeakPolarHBondContact CA-O 3.49Å; A44-S70 PolarHBondContact N-O 2.98Å; S70-Q94 WeakPolarHBondContact CA-O 3.34Å; S70-Q94 WeakPolarHBondContact OG-CB 3.44Å; S70-Q94 PolarHBondContact OG-OE1 2.88Å |
| 71 | G | 98.1 | Very high | 97.8 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 130.3 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q94 H96 | G71-Q94 PolarHBondContact N-O 2.87Å; G71-Q94 VanDerWaalsContact N-O 3.12Å; G71-H96 PolarHBondContact O-N 3.41Å |
| 72 | L | 98 | Very high | 97.8 | Very high | 13 Ų | 13 | 35.5 Ų | 35.5 | 7% | 0.068 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 134.9 | 174 | -172.6 | 70.3 | 0 | 0 | 0 | 110.4 | R12 G45 F46 C83 H96 F98 | R12-L72 HydrophobicContact CG-CD2 4.5Å; G45-L72 PolarHBondContact O-N 2.96Å; G45-L72 VanDerWaalsContact O-N 3.17Å; F46-L72 HydrophobicContact CB-CB 4.43Å; F46-L72 HydrophobicContact CD1-CD2 4.39Å; F46-L72 WeakPolarHBondContact CD2-O 3.38Å; F46-L72 WeakPolarHBondContact CE2-O 3.41Å; L72-C83 PolarHBondContact O-SG 3.37Å; L72-C83 VanDerWaalsContact O-SG 3.34Å; L72-H96 CarbonylContact C-O 3.56Å; L72-H96 HydrophobicContact CD1-CB 4.17Å; L72-H96 WeakPolarHBondContact CD1-ND1 3.41Å; L72-F98 HydrophobicContact CD1-CD1 3.6Å; L72-F98 HydrophobicContact CD1-CE1 3.95Å; L72-F98 HydrophobicContact CD2-CD1 4.44Å; L72-F98 HydrophobicContact CD2-CE1 3.96Å; L72-F98 HydrophobicContact CG-CD1 4.01Å; L72-F98 HydrophobicContact CG-CE1 3.84Å |
| 73 | A | 98.2 | Very high | 97.9 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 134.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | D79 I80 H96 V97 F98 | A73-D79 HydrophobicContact CB-CB 3.91Å; A73-I80 HydrophobicContact CB-CG1 3.98Å; A73-H96 PolarHBondContact N-O 2.88Å; A73-V97 WeakPolarHBondContact O-CA 3.45Å; A73-F98 VanDerWaalsContact O-CD1 3.26Å; A73-F98 WeakPolarHBondContact O-CD1 3.41Å; A73-F98 PolarHBondContact O-N 3.31Å |
| 74 | R | 97.9 | Very high | 98 | Very high | 120 Ų | 120 | 34.5 Ų | 34.5 | 45% | 0.453 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 160.2 | 162.9 | -67.9 | 168 | -59.5 | -168.6 | -1.9 | 109 | F46 V76 D79 F98 | F46-R74 HydrophobicContact CE1-CG 4.28Å; F46-R74 HydrophobicContact CZ-CG 3.79Å; R74-V76 HydrophobicContact CB-CG2 4.19Å; R74-V76 PolarHBondContact O-N 3.26Å; R74-D79 WeakPolarHBondContact CB-OD2 3.42Å; R74-D79 IonicContact CZ-OD2 2.89Å; R74-D79 PolarHBondContact N-OD2 3.1Å; R74-D79 IonicContact NE-OD2 3.22Å; R74-D79 PolarHBondContact NE-OD2 3.3Å; R74-D79 IonicContact NH2-OD1 2.69Å; R74-D79 PolarHBondContact NH2-OD1 3.3Å; R74-D79 VanDerWaalsContact NH2-OD1 3.08Å; R74-D79 IonicContact NH2-OD2 3.08Å; R74-D79 PolarHBondContact NH2-OD2 3.46Å; R74-F98 HydrophobicContact CB-CE1 4.45Å; R74-F98 HydrophobicContact CG-CE1 3.85Å; R74-F98 HydrophobicContact CG-CZ 3.71Å |
| 75 | S | 97.4 | Very high | 98 | Very high | 13 Ų | 13 | 38.1 Ų | 38.1 | 9% | 0.091 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -69.4 | 62.6 | 173.5 | -63.1 | 0 | 0 | 0 | 0 | 112.8 | V97 F98 H124 | S75-V97 WeakPolarHBondContact OG-CG1 3.18Å; S75-F98 PolarHBondContact N-O 3.1Å; S75-F98 PolarHBondContact OG-O 3.07Å; S75-H124 PolarHBondContact O-CD2 3.05Å; S75-H124 PolarHBondContact O-CE1 2.77Å; S75-H124 PolarHBondContact O-NE2 3.33Å |
| 76 | V | 97.5 | Very high | 98.1 | Very high | 59 Ų | 59 | 34.6 Ų | 34.6 | 36% | 0.358 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -143.3 | 140.7 | 173.6 | -64.3 | 0 | 0 | 0 | 0 | 109.4 | R74 S78 D79 I80 H124 | R74-V76 HydrophobicContact CB-CG2 4.19Å; R74-V76 PolarHBondContact O-N 3.26Å; V76-S78 VanDerWaalsContact C-N 3.31Å; V76-S78 PolarHBondContact O-N 2.86Å; V76-D79 HydrophobicContact CG2-CB 3.76Å; V76-D79 VanDerWaalsContact CG2-OD1 3.32Å; V76-D79 WeakPolarHBondContact CG2-OD1 3.45Å; V76-D79 PolarHBondContact O-N 2.74Å; V76-I80 PolarHBondContact O-N 3.4Å; V76-H124 VanDerWaalsContact CA-CD2 3.4Å; V76-H124 WeakPolarHBondContact CA-CD2 3.44Å; V76-H124 WeakPolarHBondContact CA-NE2 3.44Å; V76-H124 PolarHBondContact N-CD2 3.14Å |
| 77 | K | 98.2 | Very high | 98.2 | Very high | 87 Ų | 87 | 30 Ų | 30 | 38% | 0.378 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -58.6 | -37.7 | -175 | -70.7 | 177.9 | 166.9 | 137.9 | 0 | 113.9 | D79 I80 D81 E123 Y127 | K77-D79 VanDerWaalsContact C-N 3.29Å; K77-D79 PolarHBondContact O-N 3.4Å; K77-I80 PolarHBondContact O-N 3.49Å; K77-D81 WeakPolarHBondContact O-CB 3.42Å; K77-D81 PolarHBondContact O-N 3.16Å; K77-E123 WeakPolarHBondContact CE-OE1 3.28Å; K77-E123 IonicContact NZ-OE1 3.48Å; K77-E123 PolarHBondContact NZ-OE1 3.44Å; K77-Y127 HydrophobicContact CB-CD1 4.15Å; K77-Y127 HydrophobicContact CB-CE1 3.79Å; K77-Y127 HydrophobicContact CD-CD2 4.42Å; K77-Y127 HydrophobicContact CD-CE1 4.47Å; K77-Y127 HydrophobicContact CD-CE2 4.38Å; K77-Y127 HydrophobicContact CD-CG 4.48Å; K77-Y127 HydrophobicContact CG-CD1 3.72Å; K77-Y127 HydrophobicContact CG-CD2 4.44Å; K77-Y127 HydrophobicContact CG-CE1 3.8Å; K77-Y127 HydrophobicContact CG-CG 4.05Å |
| 78 | S | 98.2 | Very high | 98.2 | Very high | 75 Ų | 75 | 35.1 Ų | 35.1 | 52% | 0.524 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -60.6 | -36.2 | 179.9 | 53.4 | 0 | 0 | 0 | 0 | 113.4 | V76 A82 | V76-S78 VanDerWaalsContact C-N 3.31Å; V76-S78 PolarHBondContact O-N 2.86Å; S78-A82 PolarHBondContact O-N 2.82Å |
| 79 | D | 98.4 | Very high | 98.1 | Very high | 5 Ų | 5 | 40 Ų | 40 | 3% | 0.027 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -76.3 | -38.2 | -178.7 | -71.6 | 25.8 | 0 | 0 | 0 | 110.9 | F46 A48 A73 R74 V76 K77 D81 A82 C83 | F46-D79 HydrophobicContact CE2-CB 4.35Å; F46-D79 WeakPolarHBondContact CE2-OD2 3.41Å; F46-D79 VanDerWaalsContact CZ-OD2 3.24Å; F46-D79 WeakPolarHBondContact CZ-OD2 3.24Å; A48-D79 HydrophobicContact CB-CB 3.98Å; A73-D79 HydrophobicContact CB-CB 3.91Å; R74-D79 WeakPolarHBondContact CB-OD2 3.42Å; R74-D79 IonicContact CZ-OD2 2.89Å; R74-D79 PolarHBondContact N-OD2 3.1Å; R74-D79 IonicContact NE-OD2 3.22Å; R74-D79 PolarHBondContact NE-OD2 3.3Å; R74-D79 IonicContact NH2-OD1 2.69Å; R74-D79 PolarHBondContact NH2-OD1 3.3Å; R74-D79 VanDerWaalsContact NH2-OD1 3.08Å; R74-D79 IonicContact NH2-OD2 3.08Å; R74-D79 PolarHBondContact NH2-OD2 3.46Å; V76-D79 HydrophobicContact CG2-CB 3.76Å; V76-D79 VanDerWaalsContact CG2-OD1 3.32Å; V76-D79 WeakPolarHBondContact CG2-OD1 3.45Å; V76-D79 PolarHBondContact O-N 2.74Å; K77-D79 VanDerWaalsContact C-N 3.29Å; K77-D79 PolarHBondContact O-N 3.4Å; D79-D81 VanDerWaalsContact C-N 3.32Å; D79-A82 PolarHBondContact O-N 3.32Å; D79-C83 PolarHBondContact O-N 2.82Å; D79-C83 PolarHBondContact O-SG 3.09Å |
| 80 | I | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.8 | -40.5 | 172.5 | -62.9 | 166.1 | 0 | 0 | 0 | 110.1 | A73 V76 K77 C83 Y84 V97 H124 Y127 A128 K131 F132 | A73-I80 HydrophobicContact CB-CG1 3.98Å; V76-I80 PolarHBondContact O-N 3.4Å; K77-I80 PolarHBondContact O-N 3.49Å; I80-C83 PolarHBondContact O-N 2.82Å; I80-Y84 WeakPolarHBondContact O-CB 3.47Å; I80-Y84 PolarHBondContact O-N 3.29Å; I80-V97 HydrophobicContact CD1-CG2 4.31Å; I80-V97 HydrophobicContact CG1-CG2 4.29Å; I80-H124 HydrophobicContact CD1-CB 4.09Å; I80-H124 WeakPolarHBondContact CD1-O 3.38Å; I80-Y127 HydrophobicContact CB-CD1 4.08Å; I80-Y127 HydrophobicContact CB-CE1 4.2Å; I80-Y127 HydrophobicContact CD1-CD1 3.9Å; I80-Y127 HydrophobicContact CG2-CD1 3.82Å; I80-Y127 HydrophobicContact CG2-CE1 4.01Å; I80-A128 HydrophobicContact CD1-CB 4.24Å; I80-A128 HydrophobicContact CG2-CB 4.11Å; I80-K131 HydrophobicContact CG2-CD 4.5Å; I80-F132 HydrophobicContact CG2-CE2 4.45Å |
| 81 | D | 98.5 | Very high | 97.9 | Very high | 51 Ų | 51 | 46.7 Ų | 46.7 | 27% | 0.273 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -62.4 | -43.8 | 174.5 | -68.3 | -23 | 0 | 0 | 0 | 111.3 | K77 D79 C83 Y84 E85 Y127 K131 | K77-D81 WeakPolarHBondContact O-CB 3.42Å; K77-D81 PolarHBondContact O-N 3.16Å; D79-D81 VanDerWaalsContact C-N 3.32Å; D81-C83 VanDerWaalsContact C-N 3.34Å; D81-C83 PolarHBondContact O-N 2.88Å; D81-Y84 PolarHBondContact O-N 3.49Å; D81-E85 WeakPolarHBondContact O-CG 3.46Å; D81-E85 PolarHBondContact O-N 3.38Å; D81-Y127 WeakPolarHBondContact OD1-CE1 3.1Å; D81-Y127 PolarHBondContact OD1-OH 3.27Å; D81-Y127 PolarHBondContact OD2-OH 3.02Å; D81-K131 WeakPolarHBondContact OD1-CE 3.43Å; D81-K131 IonicContact OD1-NZ 3.78Å; D81-K131 PolarHBondContact OD1-NZ 2.86Å |
| 82 | A | 98.4 | Very high | 97.9 | Very high | 18 Ų | 18 | 52.3 Ų | 52.3 | 15% | 0.149 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.7 | -40.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | P47 A48 F54 S78 D79 E85 A86 | P47-A82 HydrophobicContact CB-CB 4.18Å; A48-A82 HydrophobicContact CB-CB 3.97Å; F54-A82 WeakPolarHBondContact CE2-O 3.44Å; S78-A82 PolarHBondContact O-N 2.82Å; D79-A82 PolarHBondContact O-N 3.32Å; A82-E85 PolarHBondContact O-N 3.11Å; A82-A86 WeakPolarHBondContact O-CB 3.37Å; A82-A86 PolarHBondContact O-N 3.22Å |
| 83 | C | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.9 | -46 | 173.1 | -66.7 | 0 | 0 | 0 | 0 | 111.6 | P47 L72 D79 I80 D81 E85 A86 L87 F132 | P47-C83 HydrophobicContact CG-CB 4.47Å; L72-C83 PolarHBondContact O-SG 3.37Å; L72-C83 VanDerWaalsContact O-SG 3.34Å; D79-C83 PolarHBondContact O-N 2.82Å; D79-C83 PolarHBondContact O-SG 3.09Å; I80-C83 PolarHBondContact O-N 2.82Å; D81-C83 VanDerWaalsContact C-N 3.34Å; D81-C83 PolarHBondContact O-N 2.88Å; C83-E85 VanDerWaalsContact C-N 3.31Å; C83-E85 PolarHBondContact O-N 3.25Å; C83-A86 PolarHBondContact O-N 3.41Å; C83-L87 HydrophobicContact CB-CD1 4.33Å; C83-L87 VanDerWaalsContact O-CB 3.27Å; C83-L87 WeakPolarHBondContact O-CB 3.4Å; C83-L87 WeakPolarHBondContact O-CD1 3.06Å; C83-L87 WeakPolarHBondContact O-CG 3.08Å; C83-L87 PolarHBondContact O-N 2.86Å; C83-F132 HydrophobicContact CB-CZ 4.18Å |
| 84 | Y | 98.4 | Very high | 97.9 | Very high | 89 Ų | 89 | 54.2 Ų | 54.2 | 35% | 0.349 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -59.9 | -42.9 | 179.5 | -179.3 | -103.1 | 0 | 0 | 0 | 112 | I80 D81 K88 K131 F132 | I80-Y84 WeakPolarHBondContact O-CB 3.47Å; I80-Y84 PolarHBondContact O-N 3.29Å; D81-Y84 PolarHBondContact O-N 3.49Å; Y84-K88 VanDerWaalsContact O-CG 3.3Å; Y84-K88 WeakPolarHBondContact O-CG 3.27Å; Y84-K88 PolarHBondContact O-N 3.11Å; Y84-K131 HydrophobicContact CD1-CD 4.27Å; Y84-K131 HydrophobicContact CD2-CB 3.7Å; Y84-K131 HydrophobicContact CD2-CD 4.07Å; Y84-K131 HydrophobicContact CD2-CG 4.33Å; Y84-K131 HydrophobicContact CE2-CB 4.13Å; Y84-K131 WeakPolarHBondContact CE2-O 3.28Å; Y84-K131 HydrophobicContact CG-CB 4.3Å; Y84-K131 HydrophobicContact CG-CD 3.82Å; Y84-F132 VanDerWaalsContact CA-CZ 3.43Å; Y84-F132 HydrophobicContact CD2-CE2 4.22Å; Y84-F132 HydrophobicContact CD2-CZ 4.17Å |
| 85 | E | 98.4 | Very high | 97.9 | Very high | 86 Ų | 86 | 48.5 Ų | 48.5 | 40% | 0.402 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -69.2 | -40 | 178.2 | -67.5 | -61.4 | 130.3 | 0 | 0 | 112.9 | F54 D81 A82 C83 L87 K88 | F54-E85 HydrophobicContact CE2-CB 3.9Å; F54-E85 HydrophobicContact CZ-CB 3.89Å; D81-E85 WeakPolarHBondContact O-CG 3.46Å; D81-E85 PolarHBondContact O-N 3.38Å; A82-E85 PolarHBondContact O-N 3.11Å; C83-E85 VanDerWaalsContact C-N 3.31Å; C83-E85 PolarHBondContact O-N 3.25Å; E85-L87 VanDerWaalsContact C-N 3.35Å; E85-K88 VanDerWaalsContact CD-CE 3.48Å; E85-K88 WeakPolarHBondContact OE1-CE 3.28Å; E85-K88 IonicContact OE1-NZ 3.39Å; E85-K88 PolarHBondContact OE1-NZ 2.93Å; E85-K88 WeakPolarHBondContact OE2-CE 3.34Å; E85-K88 IonicContact OE2-NZ 3.58Å; E85-K88 PolarHBondContact OE2-NZ 3.37Å |
| 86 | A | 98.1 | Very high | 98 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -71 | -29.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | P47 F54 V57 R58 S61 A82 C83 | P47-A86 HydrophobicContact CB-CB 3.98Å; P47-A86 HydrophobicContact CG-CB 4.05Å; F54-A86 HydrophobicContact CD2-CB 3.88Å; F54-A86 HydrophobicContact CE2-CB 3.73Å; F54-A86 HydrophobicContact CG-CB 4.38Å; F54-A86 HydrophobicContact CZ-CB 4.09Å; V57-A86 HydrophobicContact CB-CB 4.14Å; V57-A86 HydrophobicContact CG1-CB 3.79Å; R58-A86 WeakPolarHBondContact CA-O 3.31Å; S61-A86 PolarHBondContact OG-O 2.85Å; A82-A86 WeakPolarHBondContact O-CB 3.37Å; A82-A86 PolarHBondContact O-N 3.22Å; C83-A86 PolarHBondContact O-N 3.41Å |
| 87 | L | 98.4 | Very high | 98.1 | Very high | 2 Ų | 2 | 45.2 Ų | 45.2 | 1% | 0.01 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | 7.2 | -173.8 | -63.4 | 169.1 | 0 | 0 | 0 | 113.9 | V57 S61 V69 C83 E85 D89 A90 Q94 F132 | V57-L87 HydrophobicContact CG1-CD2 3.55Å; V57-L87 HydrophobicContact CG1-CG 4.12Å; S61-L87 WeakPolarHBondContact OG-CD2 3.34Å; V69-L87 HydrophobicContact CB-CD2 3.93Å; V69-L87 HydrophobicContact CG1-CD2 3.53Å; C83-L87 HydrophobicContact CB-CD1 4.33Å; C83-L87 VanDerWaalsContact O-CB 3.27Å; C83-L87 WeakPolarHBondContact O-CB 3.4Å; C83-L87 WeakPolarHBondContact O-CD1 3.06Å; C83-L87 WeakPolarHBondContact O-CG 3.08Å; C83-L87 PolarHBondContact O-N 2.86Å; E85-L87 VanDerWaalsContact C-N 3.35Å; L87-D89 PolarHBondContact O-N 3.03Å; L87-A90 HydrophobicContact CB-CB 4.49Å; L87-A90 WeakPolarHBondContact O-CB 3.32Å; L87-A90 PolarHBondContact O-N 2.8Å; L87-Q94 WeakPolarHBondContact CD1-O 3.44Å; L87-F132 HydrophobicContact CB-CE1 4.34Å; L87-F132 HydrophobicContact CD1-CE1 3.72Å; L87-F132 HydrophobicContact CD1-CZ 4.04Å |
| 88 | K | 96.8 | Very high | 98.1 | Very high | 113 Ų | 113 | 43 Ų | 43 | 49% | 0.491 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -35.3 | -176.3 | -76.6 | -174.8 | 171.3 | 167.1 | 0 | 114.3 | Y84 E85 | Y84-K88 VanDerWaalsContact O-CG 3.3Å; Y84-K88 WeakPolarHBondContact O-CG 3.27Å; Y84-K88 PolarHBondContact O-N 3.11Å; E85-K88 VanDerWaalsContact CD-CE 3.48Å; E85-K88 WeakPolarHBondContact OE1-CE 3.28Å; E85-K88 IonicContact OE1-NZ 3.39Å; E85-K88 PolarHBondContact OE1-NZ 2.93Å; E85-K88 WeakPolarHBondContact OE2-CE 3.34Å; E85-K88 IonicContact OE2-NZ 3.58Å; E85-K88 PolarHBondContact OE2-NZ 3.37Å |
| 89 | D | 96.8 | Very high | 98.1 | Very high | 107 Ų | 107 | 40.2 Ų | 40.2 | 57% | 0.572 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | -4 | -178.4 | -62.1 | -38.8 | 0 | 0 | 0 | 112.7 | A62 L87 K91 | A62-D89 HydrophobicContact CB-CB 4.23Å; L87-D89 PolarHBondContact O-N 3.03Å; D89-K91 PolarHBondContact O-N 2.75Å |
| 90 | A | 97.7 | Very high | 98.1 | Very high | 12 Ų | 12 | 40 Ų | 40 | 10% | 0.099 | 19% | 0.191 | C | C | . | . | trans | -72.6 | 126.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | S61 V69 L87 Y92 | S61-A90 WeakPolarHBondContact O-CA 3.48Å; V69-A90 HydrophobicContact CB-CB 4.14Å; V69-A90 HydrophobicContact CG2-CB 4.3Å; L87-A90 HydrophobicContact CB-CB 4.49Å; L87-A90 WeakPolarHBondContact O-CB 3.32Å; L87-A90 PolarHBondContact O-N 2.8Å; A90-Y92 PolarHBondContact O-N 2.61Å | ||
| 91 | K | 96.7 | Very high | 98.1 | Very high | 131 Ų | 131 | 40 Ų | 40 | 57% | 0.57 | 19% | 0.191 | S | C | * | . | S | Bend | trans | -61.4 | -34.1 | 176 | -173.6 | 178.7 | 171.2 | -166.7 | 0 | 112.8 | T65 D89 | T65-K91 VanDerWaalsContact O-CD 3.29Å; T65-K91 WeakPolarHBondContact O-CD 2.96Å; T65-K91 PolarHBondContact O-NZ 2.92Å; D89-K91 PolarHBondContact O-N 2.75Å |
| 92 | Y | 97.6 | Very high | 98 | Very high | 117 Ų | 117 | 37.6 Ų | 37.6 | 46% | 0.459 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -132.9 | 91.3 | 175.6 | -53.4 | -72.4 | 0 | 0 | 0 | 108.6 | A68 V69 A90 | A68-Y92 CarbonylContact C-O 3.48Å; A68-Y92 VanDerWaalsContact CA-O 3.28Å; A68-Y92 WeakPolarHBondContact CA-O 3.42Å; A68-Y92 WeakPolarHBondContact CB-O 3.39Å; V69-Y92 PolarHBondContact N-O 3.5Å; A90-Y92 PolarHBondContact O-N 2.61Å |
| 93 | S | 98.1 | Very high | 98 | Very high | 41 Ų | 41 | 39.1 Ų | 39.1 | 29% | 0.287 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 141.6 | -179.4 | 57.3 | 0 | 0 | 0 | 0 | 112 | ||
| 94 | Q | 98.2 | Very high | 97.9 | Very high | 12 Ų | 12 | 43.1 Ų | 43.1 | 6% | 0.056 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 147.6 | 175.4 | -48.1 | -174.7 | -0.2 | 0 | 0 | 109.9 | S41 A68 V69 S70 G71 L87 V134 R223 | S41-Q94 PolarHBondContact OG-OE1 3.36Å; A68-Q94 HydrophobicContact CB-CG 4.15Å; V69-Q94 PolarHBondContact O-N 3.49Å; S70-Q94 WeakPolarHBondContact CA-O 3.34Å; S70-Q94 WeakPolarHBondContact OG-CB 3.44Å; S70-Q94 PolarHBondContact OG-OE1 2.88Å; G71-Q94 PolarHBondContact N-O 2.87Å; G71-Q94 VanDerWaalsContact N-O 3.12Å; L87-Q94 WeakPolarHBondContact CD1-O 3.44Å; Q94-V134 WeakPolarHBondContact CA-O 3.41Å; Q94-V134 HydrophobicContact CB-CB 4.33Å; Q94-V134 HydrophobicContact CB-CG1 4.05Å; Q94-V134 HydrophobicContact CG-CB 3.91Å; Q94-V134 HydrophobicContact CG-CG1 3.64Å; Q94-R223 VanDerWaalsContact OE1-NH1 3.17Å |
| 95 | C | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 125 | 172.4 | -172.8 | 0 | 0 | 0 | 0 | 109.6 | F132 V134 V135 E136 | C95-F132 HydrophobicContact CB-CB 4.4Å; C95-F132 HydrophobicContact CB-CD1 4.19Å; C95-F132 HydrophobicContact CB-CD2 3.43Å; C95-F132 VanDerWaalsContact CB-CD2 3.43Å; C95-F132 HydrophobicContact CB-CE1 4.26Å; C95-F132 HydrophobicContact CB-CE2 3.53Å; C95-F132 HydrophobicContact CB-CG 3.76Å; C95-F132 HydrophobicContact CB-CZ 3.92Å; C95-V134 PolarHBondContact N-O 2.92Å; C95-V135 WeakPolarHBondContact O-CA 3.38Å; C95-E136 PolarHBondContact O-N 3.32Å |
| 96 | H | 98.7 | Very high | 97.7 | Very high | 4 Ų | 4 | 37.8 Ų | 37.8 | 2% | 0.019 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 109.6 | 175.2 | 179.7 | -175.3 | 0 | 0 | 0 | 109.1 | E43 G71 L72 A73 E136 S138 | E43-H96 IonicContact OE2-CE1 3.97Å; E43-H96 IonicContact OE2-CG 2.74Å; E43-H96 IonicContact OE2-ND1 3.74Å; E43-H96 PolarHBondContact OE2-ND1 2.87Å; G71-H96 PolarHBondContact O-N 3.41Å; L72-H96 CarbonylContact C-O 3.56Å; L72-H96 HydrophobicContact CD1-CB 4.17Å; L72-H96 WeakPolarHBondContact CD1-ND1 3.41Å; A73-H96 PolarHBondContact N-O 2.88Å; H96-E136 WeakPolarHBondContact CA-O 3.41Å; H96-E136 HydrophobicContact CB-CB 4.29Å; H96-E136 IonicContact CE1-OE1 2.83Å; H96-E136 IonicContact CG-OE1 3.55Å; H96-E136 IonicContact ND1-OE1 2.8Å; H96-S138 PolarHBondContact CE1-OG 3.28Å; H96-S138 WeakPolarHBondContact NE2-CB 3.48Å; H96-S138 PolarHBondContact NE2-OG 3.01Å |
| 97 | V | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 137.9 | 178.7 | -175.6 | 0 | 0 | 0 | 0 | 109.9 | A73 S75 I80 H124 A128 E136 F137 S138 | A73-V97 WeakPolarHBondContact O-CA 3.45Å; S75-V97 WeakPolarHBondContact OG-CG1 3.18Å; I80-V97 HydrophobicContact CD1-CG2 4.31Å; I80-V97 HydrophobicContact CG1-CG2 4.29Å; V97-H124 HydrophobicContact CG1-CB 4.42Å; V97-A128 HydrophobicContact CG2-CB 3.82Å; V97-E136 PolarHBondContact N-O 3.19Å; V97-F137 VanDerWaalsContact O-CA 3.27Å; V97-F137 WeakPolarHBondContact O-CA 3.46Å; V97-F137 WeakPolarHBondContact O-CD2 3.32Å; V97-S138 PolarHBondContact O-N 2.84Å |
| 98 | F | 98.5 | Very high | 97.5 | Very high | 41 Ų | 41 | 50.9 Ų | 50.9 | 18% | 0.18 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 158.7 | 178.5 | 75.6 | -78.4 | 0 | 0 | 0 | 113.7 | L72 A73 R74 S75 S138 E140 | L72-F98 HydrophobicContact CD1-CD1 3.6Å; L72-F98 HydrophobicContact CD1-CE1 3.95Å; L72-F98 HydrophobicContact CD2-CD1 4.44Å; L72-F98 HydrophobicContact CD2-CE1 3.96Å; L72-F98 HydrophobicContact CG-CD1 4.01Å; L72-F98 HydrophobicContact CG-CE1 3.84Å; A73-F98 VanDerWaalsContact O-CD1 3.26Å; A73-F98 WeakPolarHBondContact O-CD1 3.41Å; A73-F98 PolarHBondContact O-N 3.31Å; R74-F98 HydrophobicContact CB-CE1 4.45Å; R74-F98 HydrophobicContact CG-CE1 3.85Å; R74-F98 HydrophobicContact CG-CZ 3.71Å; S75-F98 PolarHBondContact N-O 3.1Å; S75-F98 PolarHBondContact OG-O 3.07Å; F98-S138 VanDerWaalsContact CA-O 3.3Å; F98-S138 WeakPolarHBondContact CA-O 3.42Å; F98-S138 WeakPolarHBondContact CB-O 3.06Å; F98-E140 HydrophobicContact CD2-CB 4.17Å |
| 99 | I | 98.5 | Very high | 97.4 | Very high | 16 Ų | 16 | 50.5 Ų | 50.5 | 8% | 0.082 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 143.6 | 167.2 | -172.5 | 162.2 | 0 | 0 | 0 | 110.5 | L110 I117 I120 I121 F137 S138 P139 E140 | I99-L110 HydrophobicContact CD1-CD1 4.2Å; I99-L110 HydrophobicContact CG1-CD1 3.83Å; I99-I117 HydrophobicContact CD1-CG1 4.48Å; I99-I117 HydrophobicContact CD1-CG2 4.42Å; I99-I117 HydrophobicContact CG2-CG2 4.26Å; I99-I120 HydrophobicContact CD1-CB 4.21Å; I99-I120 HydrophobicContact CD1-CD1 4.14Å; I99-I120 HydrophobicContact CD1-CG2 3.64Å; I99-I121 HydrophobicContact CG2-CD1 4.08Å; I99-I121 HydrophobicContact CG2-CG1 3.72Å; I99-F137 HydrophobicContact CG2-CE2 3.99Å; I99-F137 HydrophobicContact CG2-CZ 3.92Å; I99-S138 PolarHBondContact N-O 3.46Å; I99-S138 VanDerWaalsContact N-O 3.17Å; I99-P139 CarbonylContact O-C 3.6Å; I99-P139 WeakPolarHBondContact O-CA 3.18Å; I99-E140 PolarHBondContact O-N 3.42Å |
| 100 | A | 97.9 | Very high | 97.4 | Very high | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.008 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 134.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | H105 L110 E140 | A100-H105 HydrophobicContact CB-CB 3.47Å; A100-H105 VanDerWaalsContact CB-CB 3.47Å; A100-L110 HydrophobicContact CB-CD1 4.01Å; A100-L110 HydrophobicContact CB-CG 4.46Å; A100-L110 WeakPolarHBondContact O-CD1 3.3Å; A100-E140 WeakPolarHBondContact CA-O 3.37Å; A100-E140 HydrophobicContact CB-CB 4.25Å; A100-E140 HydrophobicContact CB-CG 4.3Å; A100-E140 WeakPolarHBondContact CB-OE2 3.28Å |
| 101 | T | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 25% | 0.253 | C | S | . | . | trans | -119 | -17.1 | -176.4 | 53.4 | 0 | 0 | 0 | 0 | 114.8 | R106 I117 P139 E140 T145 V153 | T101-R106 WeakPolarHBondContact O-CD 3.28Å; T101-R106 PolarHBondContact O-NH1 2.99Å; T101-I117 HydrophobicContact CG2-CG2 4.31Å; T101-P139 HydrophobicContact CG2-CB 3.68Å; T101-P139 WeakPolarHBondContact OG1-CB 3.14Å; T101-E140 PolarHBondContact N-O 2.86Å; T101-T145 PolarHBondContact OG1-OG1 3.39Å; T101-V153 HydrophobicContact CG2-CB 4.49Å; T101-V153 HydrophobicContact CG2-CG1 3.86Å; T101-V153 HydrophobicContact CG2-CG2 3.97Å | ||
| 102 | S | 97.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -66.4 | 151.4 | -175.1 | 73.8 | 0 | 0 | 0 | 0 | 113 | I104 H105 R106 D141 T145 | S102-I104 PolarHBondContact O-N 2.89Å; S102-I104 VanDerWaalsContact O-N 3.16Å; S102-I104 WeakPolarHBondContact OG-CG2 2.97Å; S102-H105 PolarHBondContact O-N 3.04Å; S102-H105 PolarHBondContact OG-CD2 3.14Å; S102-H105 PolarHBondContact OG-N 2.94Å; S102-R106 WeakPolarHBondContact O-CG 3.47Å; S102-R106 PolarHBondContact O-N 3.11Å; S102-D141 WeakPolarHBondContact CB-OD2 3.4Å; S102-D141 PolarHBondContact OG-OD2 3.45Å; S102-T145 WeakPolarHBondContact CA-OG1 3.41Å; S102-T145 PolarHBondContact N-OG1 3.35Å |
| 103 | P | 97.3 | Very high | 97.3 | Very high | 49 Ų | 49 | 50.3 Ų | 50.3 | 32% | 0.318 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -49.7 | -44.1 | 179.7 | -26.8 | 33.4 | 0 | 0 | 0 | 113.7 | H105 R106 E107 R144 E146 | P103-H105 PolarHBondContact O-N 3.28Å; P103-R106 PolarHBondContact O-N 3.23Å; P103-E107 WeakPolarHBondContact O-CB 3.3Å; P103-E107 PolarHBondContact O-N 2.85Å; P103-R144 WeakPolarHBondContact CD-O 3.39Å; P103-E146 HydrophobicContact CG-CG 4.37Å; P103-E146 WeakPolarHBondContact CG-OE2 3.15Å |
| 104 | I | 96.7 | Very high | 97.3 | Very high | 84 Ų | 84 | 51.2 Ų | 51.2 | 43% | 0.431 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -65.2 | -39.6 | -179.6 | -168.5 | 172 | 0 | 0 | 0 | 111.8 | S102 Y108 | S102-I104 PolarHBondContact O-N 2.89Å; S102-I104 VanDerWaalsContact O-N 3.16Å; S102-I104 WeakPolarHBondContact OG-CG2 2.97Å; I104-Y108 HydrophobicContact CG1-CD2 3.86Å; I104-Y108 HydrophobicContact CG1-CE2 4.46Å; I104-Y108 WeakPolarHBondContact O-CB 3.37Å; I104-Y108 WeakPolarHBondContact O-CD2 3.31Å; I104-Y108 PolarHBondContact O-N 2.61Å |
| 105 | H | 96.5 | Very high | 97.3 | Very high | 36 Ų | 36 | 56.3 Ų | 56.3 | 17% | 0.167 | 26% | 0.262 | C | S | . | . | I | π-helix | trans | -72.3 | -37.7 | 175.2 | -77.1 | -57.8 | 0 | 0 | 0 | 112.5 | A100 S102 P103 E107 K109 L110 D141 | A100-H105 HydrophobicContact CB-CB 3.47Å; A100-H105 VanDerWaalsContact CB-CB 3.47Å; S102-H105 PolarHBondContact O-N 3.04Å; S102-H105 PolarHBondContact OG-CD2 3.14Å; S102-H105 PolarHBondContact OG-N 2.94Å; P103-H105 PolarHBondContact O-N 3.28Å; H105-E107 VanDerWaalsContact C-N 3.34Å; H105-E107 PolarHBondContact O-N 2.7Å; H105-K109 HydrophobicContact CB-CB 4.27Å; H105-K109 HydrophobicContact CB-CD 4.47Å; H105-K109 WeakPolarHBondContact ND1-CD 3.41Å; H105-K109 CarbonylContact O-C 3.58Å; H105-K109 WeakPolarHBondContact O-CA 3.22Å; H105-K109 WeakPolarHBondContact O-CB 3.21Å; H105-K109 PolarHBondContact O-N 3.01Å; H105-L110 PolarHBondContact O-N 2.72Å; H105-D141 VanDerWaalsContact CD2-CB 3.49Å; H105-D141 WeakPolarHBondContact CD2-CB 3.3Å; H105-D141 IonicContact CD2-OD2 2.67Å; H105-D141 PolarHBondContact CD2-OD2 2.81Å; H105-D141 VanDerWaalsContact CD2-OD2 3.23Å; H105-D141 IonicContact NE2-OD2 2.8Å |
| 106 | R | 97 | Very high | 97.3 | Very high | 28 Ų | 28 | 60.1 Ų | 60.1 | 11% | 0.106 | 28% | 0.28 | C | S | . | . | I | π-helix | trans | -60.1 | -44.9 | 175 | -62.7 | -166 | -54 | -101.1 | 3.9 | 111.6 | T101 S102 P103 K111 K112 K114 I117 E146 | T101-R106 WeakPolarHBondContact O-CD 3.28Å; T101-R106 PolarHBondContact O-NH1 2.99Å; S102-R106 WeakPolarHBondContact O-CG 3.47Å; S102-R106 PolarHBondContact O-N 3.11Å; P103-R106 PolarHBondContact O-N 3.23Å; R106-K111 WeakPolarHBondContact O-CA 3.13Å; R106-K111 PolarHBondContact O-N 2.83Å; R106-K112 PolarHBondContact O-N 2.78Å; R106-K114 VanDerWaalsContact NH2-CE 3.26Å; R106-I117 HydrophobicContact CB-CD1 4.4Å; R106-I117 HydrophobicContact CG-CD1 3.46Å; R106-I117 VanDerWaalsContact CG-CD1 3.46Å; R106-E146 IonicContact CZ-OE1 3.64Å; R106-E146 IonicContact CZ-OE2 2.87Å; R106-E146 IonicContact NH1-OE1 2.86Å; R106-E146 IonicContact NH1-OE2 2.75Å; R106-E146 PolarHBondContact NH1-OE2 3.39Å; R106-E146 IonicContact NH2-OE1 3.91Å; R106-E146 PolarHBondContact NH2-OE1 3.47Å; R106-E146 IonicContact NH2-OE2 2.6Å; R106-E146 PolarHBondContact NH2-OE2 2.94Å |
| 107 | E | 96.1 | Very high | 97.3 | Very high | 117 Ų | 117 | 60 Ų | 60 | 55% | 0.547 | 28% | 0.279 | S | S | . | . | I | π-helix | trans | -74.5 | -50.1 | -177.4 | -173.4 | 177.5 | 169 | 0 | 0 | 112.7 | P103 H105 | P103-E107 WeakPolarHBondContact O-CB 3.3Å; P103-E107 PolarHBondContact O-N 2.85Å; H105-E107 VanDerWaalsContact C-N 3.34Å; H105-E107 PolarHBondContact O-N 2.7Å |
| 108 | Y | 96.2 | Very high | 97.3 | Very high | 159 Ų | 159 | 61.3 Ų | 61.3 | 62% | 0.624 | 29% | 0.286 | S | S | * | . | I | π-helix | trans | -103.2 | -28.9 | -167.4 | -62.1 | -79.6 | 0 | 0 | 0 | 114.7 | I104 | I104-Y108 HydrophobicContact CG1-CD2 3.86Å; I104-Y108 HydrophobicContact CG1-CE2 4.46Å; I104-Y108 WeakPolarHBondContact O-CB 3.37Å; I104-Y108 WeakPolarHBondContact O-CD2 3.31Å; I104-Y108 PolarHBondContact O-N 2.61Å |
| 109 | K | 94.7 | Very high | 97.3 | Very high | 105 Ų | 105 | 64.5 Ų | 64.5 | 46% | 0.457 | 31% | 0.305 | S | S | . | . | I | π-helix | trans | -94.8 | -57 | -177.9 | -178 | -178.8 | 178.4 | -175.1 | 0 | 111.9 | H105 E140 | H105-K109 HydrophobicContact CB-CB 4.27Å; H105-K109 HydrophobicContact CB-CD 4.47Å; H105-K109 WeakPolarHBondContact ND1-CD 3.41Å; H105-K109 CarbonylContact O-C 3.58Å; H105-K109 WeakPolarHBondContact O-CA 3.22Å; H105-K109 WeakPolarHBondContact O-CB 3.21Å; H105-K109 PolarHBondContact O-N 3.01Å; K109-E140 IonicContact NZ-OE1 3.76Å; K109-E140 PolarHBondContact NZ-OE1 3.36Å; K109-E140 IonicContact NZ-OE2 2.8Å; K109-E140 PolarHBondContact NZ-OE2 3.05Å |
| 110 | L | 95.8 | Very high | 97.3 | Very high | 50 Ų | 50 | 65 Ų | 65 | 26% | 0.262 | 31% | 0.308 | S | S | . | . | I | π-helix | trans | -90.8 | -32.2 | -171.9 | -60.6 | -177 | 0 | 0 | 0 | 113.2 | I99 A100 H105 K112 I117 | I99-L110 HydrophobicContact CD1-CD1 4.2Å; I99-L110 HydrophobicContact CG1-CD1 3.83Å; A100-L110 HydrophobicContact CB-CD1 4.01Å; A100-L110 HydrophobicContact CB-CG 4.46Å; A100-L110 WeakPolarHBondContact O-CD1 3.3Å; H105-L110 PolarHBondContact O-N 2.72Å; L110-K112 HydrophobicContact CB-CB 4.32Å; L110-K112 HydrophobicContact CB-CD 4.48Å; L110-K112 HydrophobicContact CB-CG 4.28Å; L110-I117 HydrophobicContact CD1-CD1 4.24Å |
| 111 | K | 96.7 | Very high | 97.4 | Very high | 170 Ų | 170 | 65 Ų | 65 | 74% | 0.739 | 31% | 0.307 | S | S | * | . | trans | 54.6 | 50.8 | -172.3 | -57.8 | 179.4 | 179.7 | 179.5 | 0 | 111.7 | R106 | R106-K111 WeakPolarHBondContact O-CA 3.13Å; R106-K111 PolarHBondContact O-N 2.83Å | ||
| 112 | K | 96.8 | Very high | 97.4 | Very high | 76 Ų | 76 | 71.2 Ų | 71.2 | 33% | 0.33 | 33% | 0.334 | S | S | . | . | trans | -130.3 | 147.5 | -176.2 | -71.2 | -173.8 | 177.3 | -62.5 | 0 | 112.3 | R106 L110 E116 I117 I120 | R106-K112 PolarHBondContact O-N 2.78Å; L110-K112 HydrophobicContact CB-CB 4.32Å; L110-K112 HydrophobicContact CB-CD 4.48Å; L110-K112 HydrophobicContact CB-CG 4.28Å; K112-E116 VanDerWaalsContact CA-OE2 3.25Å; K112-E116 WeakPolarHBondContact CA-OE2 3.38Å; K112-E116 HydrophobicContact CB-CB 4.18Å; K112-I117 HydrophobicContact CB-CD1 4.31Å; K112-I117 HydrophobicContact CB-CG1 4.02Å; K112-I120 HydrophobicContact CD-CD1 3.47Å; K112-I120 VanDerWaalsContact CD-CD1 3.47Å | ||
| 113 | T | 97.5 | Very high | 97.4 | Very high | 68 Ų | 68 | 75.6 Ų | 75.6 | 42% | 0.417 | 36% | 0.355 | S | S | . | . | trans | -73.9 | 170.4 | 172.6 | 82.2 | 0 | 0 | 0 | 0 | 111.6 | E115 E116 I117 | T113-E115 VanDerWaalsContact C-N 3.29Å; T113-E115 WeakPolarHBondContact CB-OE2 3.2Å; T113-E115 PolarHBondContact O-N 2.77Å; T113-E115 PolarHBondContact OG1-N 2.82Å; T113-E115 PolarHBondContact OG1-OE2 3.04Å; T113-E116 PolarHBondContact N-OE2 2.76Å; T113-E116 PolarHBondContact OG1-N 2.99Å; T113-I117 WeakPolarHBondContact O-CG1 3.23Å; T113-I117 PolarHBondContact O-N 2.84Å | ||
| 114 | K | 98.2 | Very high | 97.5 | Very high | 59 Ų | 59 | 74 Ų | 74 | 26% | 0.257 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -59.8 | -43.1 | 175.5 | -77.1 | -172.5 | 171.9 | -176.7 | 0 | 111 | R106 I117 L118 E146 Y149 | R106-K114 VanDerWaalsContact NH2-CE 3.26Å; K114-I117 PolarHBondContact O-N 3.39Å; K114-L118 WeakPolarHBondContact O-CG 3.35Å; K114-L118 PolarHBondContact O-N 3.42Å; K114-L118 VanDerWaalsContact O-N 3.16Å; K114-E146 WeakPolarHBondContact CE-OE1 3.16Å; K114-E146 IonicContact NZ-OE1 2.7Å; K114-E146 PolarHBondContact NZ-OE1 3.23Å; K114-E146 IonicContact NZ-OE2 2.62Å; K114-Y149 VanDerWaalsContact CA-OH 3.28Å; K114-Y149 WeakPolarHBondContact CA-OH 3.47Å; K114-Y149 HydrophobicContact CB-CD2 4.11Å; K114-Y149 HydrophobicContact CB-CE2 3.44Å; K114-Y149 VanDerWaalsContact CB-CE2 3.44Å; K114-Y149 HydrophobicContact CD-CD1 4.19Å; K114-Y149 HydrophobicContact CD-CD2 3.59Å; K114-Y149 HydrophobicContact CD-CE1 4.38Å; K114-Y149 HydrophobicContact CD-CE2 3.82Å; K114-Y149 HydrophobicContact CD-CG 3.8Å; K114-Y149 HydrophobicContact CG-CD1 4.25Å; K114-Y149 HydrophobicContact CG-CD2 3.92Å; K114-Y149 HydrophobicContact CG-CE1 3.95Å; K114-Y149 HydrophobicContact CG-CE2 3.59Å; K114-Y149 HydrophobicContact CG-CG 4.24Å; K114-Y149 PolarHBondContact O-OH 2.87Å |
| 115 | E | 98.2 | Very high | 97.6 | Very high | 120 Ų | 120 | 70 Ų | 70 | 56% | 0.561 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -67.1 | -44.6 | -178.5 | -59.9 | 70 | -153.8 | 0 | 0 | 111.7 | T113 I117 L118 D119 | T113-E115 VanDerWaalsContact C-N 3.29Å; T113-E115 WeakPolarHBondContact CB-OE2 3.2Å; T113-E115 PolarHBondContact O-N 2.77Å; T113-E115 PolarHBondContact OG1-N 2.82Å; T113-E115 PolarHBondContact OG1-OE2 3.04Å; E115-I117 PolarHBondContact O-N 3Å; E115-L118 PolarHBondContact O-N 2.88Å; E115-L118 VanDerWaalsContact O-N 3.12Å; E115-D119 PolarHBondContact O-N 2.95Å |
| 116 | E | 98.2 | Very high | 97.7 | Very high | 80 Ų | 80 | 71.6 Ų | 71.6 | 37% | 0.374 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -59.5 | -36.7 | 177 | -71.1 | -178.8 | 106.1 | 0 | 0 | 112.2 | K112 T113 I120 | K112-E116 VanDerWaalsContact CA-OE2 3.25Å; K112-E116 WeakPolarHBondContact CA-OE2 3.38Å; K112-E116 HydrophobicContact CB-CB 4.18Å; T113-E116 PolarHBondContact N-OE2 2.76Å; T113-E116 PolarHBondContact OG1-N 2.99Å; E116-I120 WeakPolarHBondContact O-CD1 3.34Å; E116-I120 VanDerWaalsContact O-CG1 3.23Å; E116-I120 WeakPolarHBondContact O-CG1 3.23Å; E116-I120 PolarHBondContact O-N 3.29Å |
| 117 | I | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 72.9 Ų | 72.9 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -69 | -42.6 | 176.5 | -70.4 | 167.7 | 0 | 0 | 0 | 110.8 | I99 T101 R106 L110 K112 T113 K114 E115 D119 I120 I121 Y149 | I99-I117 HydrophobicContact CD1-CG1 4.48Å; I99-I117 HydrophobicContact CD1-CG2 4.42Å; I99-I117 HydrophobicContact CG2-CG2 4.26Å; T101-I117 HydrophobicContact CG2-CG2 4.31Å; R106-I117 HydrophobicContact CB-CD1 4.4Å; R106-I117 HydrophobicContact CG-CD1 3.46Å; R106-I117 VanDerWaalsContact CG-CD1 3.46Å; L110-I117 HydrophobicContact CD1-CD1 4.24Å; K112-I117 HydrophobicContact CB-CD1 4.31Å; K112-I117 HydrophobicContact CB-CG1 4.02Å; T113-I117 WeakPolarHBondContact O-CG1 3.23Å; T113-I117 PolarHBondContact O-N 2.84Å; K114-I117 PolarHBondContact O-N 3.39Å; E115-I117 PolarHBondContact O-N 3Å; I117-D119 VanDerWaalsContact C-N 3.31Å; I117-D119 PolarHBondContact O-N 3.15Å; I117-I120 PolarHBondContact O-N 3.44Å; I117-I121 HydrophobicContact CG2-CD1 3.81Å; I117-I121 HydrophobicContact CG2-CG1 4.42Å; I117-I121 WeakPolarHBondContact O-CD1 3.25Å; I117-I121 VanDerWaalsContact O-CG1 3.23Å; I117-I121 WeakPolarHBondContact O-CG1 3.07Å; I117-I121 PolarHBondContact O-N 3.45Å; I117-Y149 WeakPolarHBondContact CB-OH 3.35Å |
| 118 | L | 98.7 | Very high | 97.9 | Very high | 29 Ų | 29 | 67.3 Ų | 67.3 | 15% | 0.152 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.2 | -40.4 | 175.6 | -62.3 | 177.1 | 0 | 0 | 0 | 111.5 | K114 E115 I121 K122 Y149 V153 T156 | K114-L118 WeakPolarHBondContact O-CG 3.35Å; K114-L118 PolarHBondContact O-N 3.42Å; K114-L118 VanDerWaalsContact O-N 3.16Å; E115-L118 PolarHBondContact O-N 2.88Å; E115-L118 VanDerWaalsContact O-N 3.12Å; L118-I121 HydrophobicContact CD2-CD1 4.49Å; L118-I121 PolarHBondContact O-N 3.03Å; L118-K122 WeakPolarHBondContact O-CB 3.16Å; L118-K122 PolarHBondContact O-N 3.41Å; L118-Y149 HydrophobicContact CD1-CE2 4.3Å; L118-Y149 HydrophobicContact CD2-CE2 4.14Å; L118-Y149 HydrophobicContact CG-CE2 4.19Å; L118-V153 HydrophobicContact CD2-CB 4.36Å; L118-V153 HydrophobicContact CD2-CG2 3.78Å; L118-T156 HydrophobicContact CB-CG2 4.38Å; L118-T156 WeakPolarHBondContact O-CG2 3.41Å |
| 119 | D | 98.6 | Very high | 98 | Very high | 107 Ų | 107 | 63.8 Ų | 63.8 | 57% | 0.572 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -63.3 | -42.1 | 175.3 | -76.2 | -23.1 | 0 | 0 | 0 | 111.9 | E115 I117 K122 E123 | E115-D119 PolarHBondContact O-N 2.95Å; I117-D119 VanDerWaalsContact C-N 3.31Å; I117-D119 PolarHBondContact O-N 3.15Å; D119-K122 PolarHBondContact O-N 3.13Å; D119-E123 WeakPolarHBondContact O-CB 3.4Å; D119-E123 PolarHBondContact O-N 2.78Å |
| 120 | I | 98.5 | Very high | 98.2 | Very high | 28 Ų | 28 | 62.9 Ų | 62.9 | 14% | 0.144 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.5 | -45 | 175.9 | -71.6 | 164.4 | 0 | 0 | 0 | 111.1 | I99 K112 E116 I117 E123 H124 | I99-I120 HydrophobicContact CD1-CB 4.21Å; I99-I120 HydrophobicContact CD1-CD1 4.14Å; I99-I120 HydrophobicContact CD1-CG2 3.64Å; K112-I120 HydrophobicContact CD-CD1 3.47Å; K112-I120 VanDerWaalsContact CD-CD1 3.47Å; E116-I120 WeakPolarHBondContact O-CD1 3.34Å; E116-I120 VanDerWaalsContact O-CG1 3.23Å; E116-I120 WeakPolarHBondContact O-CG1 3.23Å; E116-I120 PolarHBondContact O-N 3.29Å; I117-I120 PolarHBondContact O-N 3.44Å; I120-E123 PolarHBondContact O-N 3.2Å; I120-H124 WeakPolarHBondContact O-CB 3.34Å; I120-H124 PolarHBondContact O-N 2.87Å; I120-H124 PolarHBondContact O-ND1 3.29Å |
| 121 | I | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -59.3 | -51.5 | 177.2 | -67.5 | 163.5 | 0 | 0 | 0 | 109.3 | I99 I117 L118 E123 H124 V125 F137 V153 T156 A157 | I99-I121 HydrophobicContact CG2-CD1 4.08Å; I99-I121 HydrophobicContact CG2-CG1 3.72Å; I117-I121 HydrophobicContact CG2-CD1 3.81Å; I117-I121 HydrophobicContact CG2-CG1 4.42Å; I117-I121 WeakPolarHBondContact O-CD1 3.25Å; I117-I121 VanDerWaalsContact O-CG1 3.23Å; I117-I121 WeakPolarHBondContact O-CG1 3.07Å; I117-I121 PolarHBondContact O-N 3.45Å; L118-I121 HydrophobicContact CD2-CD1 4.49Å; L118-I121 PolarHBondContact O-N 3.03Å; I121-E123 VanDerWaalsContact C-N 3.33Å; I121-E123 PolarHBondContact O-N 2.89Å; I121-H124 PolarHBondContact O-N 2.64Å; I121-V125 HydrophobicContact CG2-CG2 3.96Å; I121-V125 VanDerWaalsContact O-CB 3.24Å; I121-V125 WeakPolarHBondContact O-CB 3.33Å; I121-V125 VanDerWaalsContact O-CG2 3.3Å; I121-V125 WeakPolarHBondContact O-CG2 3.45Å; I121-V125 PolarHBondContact O-N 3.03Å; I121-F137 HydrophobicContact CB-CE2 4.45Å; I121-F137 HydrophobicContact CB-CZ 4.5Å; I121-F137 HydrophobicContact CD1-CE1 4.38Å; I121-F137 HydrophobicContact CD1-CE2 4.34Å; I121-F137 HydrophobicContact CD1-CZ 3.65Å; I121-F137 HydrophobicContact CG1-CE2 3.78Å; I121-F137 HydrophobicContact CG1-CZ 3.62Å; I121-F137 HydrophobicContact CG2-CD2 4.46Å; I121-F137 HydrophobicContact CG2-CE2 4.03Å; I121-F137 HydrophobicContact CG2-CZ 4.08Å; I121-V153 HydrophobicContact CD1-CB 4.23Å; I121-V153 HydrophobicContact CD1-CG1 3.51Å; I121-V153 HydrophobicContact CD1-CG2 4.19Å; I121-T156 HydrophobicContact CB-CG2 4.26Å; I121-T156 HydrophobicContact CG2-CG2 4.02Å; I121-A157 HydrophobicContact CG2-CB 3.79Å |
| 122 | K | 98.7 | Very high | 98.3 | Very high | 130 Ų | 130 | 55.4 Ų | 55.4 | 57% | 0.565 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -56.1 | -47.7 | 179.1 | -176.7 | 177.7 | 179.9 | 177.5 | 0 | 111.4 | L118 D119 T126 T156 | L118-K122 WeakPolarHBondContact O-CB 3.16Å; L118-K122 PolarHBondContact O-N 3.41Å; D119-K122 PolarHBondContact O-N 3.13Å; K122-T126 WeakPolarHBondContact O-CB 3.41Å; K122-T126 PolarHBondContact O-N 3.47Å; K122-T126 PolarHBondContact O-OG1 3.16Å; K122-T156 HydrophobicContact CB-CG2 4.08Å |
| 123 | E | 98.7 | Very high | 98.3 | Very high | 92 Ų | 92 | 58 Ų | 58 | 43% | 0.43 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -62.1 | -52.2 | 179.6 | -179.3 | 178.3 | -175.6 | 0 | 0 | 112 | K77 D119 I120 I121 Y127 | K77-E123 WeakPolarHBondContact CE-OE1 3.28Å; K77-E123 IonicContact NZ-OE1 3.48Å; K77-E123 PolarHBondContact NZ-OE1 3.44Å; D119-E123 WeakPolarHBondContact O-CB 3.4Å; D119-E123 PolarHBondContact O-N 2.78Å; I120-E123 PolarHBondContact O-N 3.2Å; I121-E123 VanDerWaalsContact C-N 3.33Å; I121-E123 PolarHBondContact O-N 2.89Å; E123-Y127 WeakPolarHBondContact O-CB 3.38Å; E123-Y127 PolarHBondContact O-N 3.4Å |
| 124 | H | 98.7 | Very high | 98.4 | Very high | 16 Ų | 16 | 56.5 Ų | 56.5 | 7% | 0.074 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -83.7 | -33.5 | -166.6 | -66.9 | 86.6 | 0 | 0 | 0 | 113 | S75 V76 I80 V97 I120 I121 Y127 A128 | S75-H124 PolarHBondContact O-CD2 3.05Å; S75-H124 PolarHBondContact O-CE1 2.77Å; S75-H124 PolarHBondContact O-NE2 3.33Å; V76-H124 VanDerWaalsContact CA-CD2 3.4Å; V76-H124 WeakPolarHBondContact CA-CD2 3.44Å; V76-H124 WeakPolarHBondContact CA-NE2 3.44Å; V76-H124 PolarHBondContact N-CD2 3.14Å; I80-H124 HydrophobicContact CD1-CB 4.09Å; I80-H124 WeakPolarHBondContact CD1-O 3.38Å; V97-H124 HydrophobicContact CG1-CB 4.42Å; I120-H124 WeakPolarHBondContact O-CB 3.34Å; I120-H124 PolarHBondContact O-N 2.87Å; I120-H124 PolarHBondContact O-ND1 3.29Å; I121-H124 PolarHBondContact O-N 2.64Å; H124-Y127 PolarHBondContact O-N 3.49Å; H124-A128 WeakPolarHBondContact O-CB 3.47Å; H124-A128 PolarHBondContact O-N 2.87Å |
| 125 | V | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -68.2 | -41.2 | 171.4 | 177.9 | 0 | 0 | 0 | 0 | 110.3 | I121 Y127 A128 R129 V135 F137 A157 A160 A162 | I121-V125 HydrophobicContact CG2-CG2 3.96Å; I121-V125 VanDerWaalsContact O-CB 3.24Å; I121-V125 WeakPolarHBondContact O-CB 3.33Å; I121-V125 VanDerWaalsContact O-CG2 3.3Å; I121-V125 WeakPolarHBondContact O-CG2 3.45Å; I121-V125 PolarHBondContact O-N 3.03Å; V125-Y127 VanDerWaalsContact C-N 3.31Å; V125-Y127 PolarHBondContact O-N 3.15Å; V125-A128 PolarHBondContact O-N 3.06Å; V125-R129 WeakPolarHBondContact O-CB 3.32Å; V125-R129 PolarHBondContact O-N 2.88Å; V125-V135 HydrophobicContact CG1-CG1 4.2Å; V125-F137 HydrophobicContact CG2-CB 4.4Å; V125-F137 HydrophobicContact CG2-CD2 3.67Å; V125-F137 HydrophobicContact CG2-CE2 4.34Å; V125-F137 HydrophobicContact CG2-CG 4.23Å; V125-A157 HydrophobicContact CG2-CB 4.46Å; V125-A160 HydrophobicContact CB-CB 3.8Å; V125-A160 HydrophobicContact CG1-CB 3.8Å; V125-A162 HydrophobicContact CG1-CB 4.01Å |
| 126 | T | 98.7 | Very high | 98.4 | Very high | 69 Ų | 69 | 48 Ų | 48 | 42% | 0.423 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -60.9 | -42.4 | 173.2 | -59.2 | 0 | 0 | 0 | 0 | 111 | K122 R129 S130 A160 | K122-T126 WeakPolarHBondContact O-CB 3.41Å; K122-T126 PolarHBondContact O-N 3.47Å; K122-T126 PolarHBondContact O-OG1 3.16Å; T126-R129 PolarHBondContact O-N 2.76Å; T126-S130 PolarHBondContact O-N 3.33Å; T126-A160 WeakPolarHBondContact CA-O 3.16Å |
| 127 | Y | 98.7 | Very high | 98.4 | Very high | 55 Ų | 55 | 44.2 Ų | 44.2 | 22% | 0.216 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.9 | -44.7 | 177.7 | -173.7 | -108.4 | 0 | 0 | 0 | 112.2 | K77 I80 D81 E123 H124 V125 R129 S130 K131 | K77-Y127 HydrophobicContact CB-CD1 4.15Å; K77-Y127 HydrophobicContact CB-CE1 3.79Å; K77-Y127 HydrophobicContact CD-CD2 4.42Å; K77-Y127 HydrophobicContact CD-CE1 4.47Å; K77-Y127 HydrophobicContact CD-CE2 4.38Å; K77-Y127 HydrophobicContact CD-CG 4.48Å; K77-Y127 HydrophobicContact CG-CD1 3.72Å; K77-Y127 HydrophobicContact CG-CD2 4.44Å; K77-Y127 HydrophobicContact CG-CE1 3.8Å; K77-Y127 HydrophobicContact CG-CG 4.05Å; I80-Y127 HydrophobicContact CB-CD1 4.08Å; I80-Y127 HydrophobicContact CB-CE1 4.2Å; I80-Y127 HydrophobicContact CD1-CD1 3.9Å; I80-Y127 HydrophobicContact CG2-CD1 3.82Å; I80-Y127 HydrophobicContact CG2-CE1 4.01Å; D81-Y127 WeakPolarHBondContact OD1-CE1 3.1Å; D81-Y127 PolarHBondContact OD1-OH 3.27Å; D81-Y127 PolarHBondContact OD2-OH 3.02Å; E123-Y127 WeakPolarHBondContact O-CB 3.38Å; E123-Y127 PolarHBondContact O-N 3.4Å; H124-Y127 PolarHBondContact O-N 3.49Å; V125-Y127 VanDerWaalsContact C-N 3.31Å; V125-Y127 PolarHBondContact O-N 3.15Å; Y127-R129 VanDerWaalsContact C-N 3.33Å; Y127-R129 PolarHBondContact O-N 3.11Å; Y127-S130 WeakPolarHBondContact O-CB 3.4Å; Y127-S130 PolarHBondContact O-N 3.38Å; Y127-S130 VanDerWaalsContact O-N 3.16Å; Y127-S130 PolarHBondContact O-OG 2.95Å; Y127-K131 HydrophobicContact CE1-CD 4.47Å; Y127-K131 VanDerWaalsContact OH-CE 3.29Å; Y127-K131 WeakPolarHBondContact OH-CE 3.38Å; Y127-K131 PolarHBondContact OH-NZ 3.04Å |
| 128 | A | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.6 | -43.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | I80 V97 H124 V125 S130 K131 F132 V135 | I80-A128 HydrophobicContact CD1-CB 4.24Å; I80-A128 HydrophobicContact CG2-CB 4.11Å; V97-A128 HydrophobicContact CG2-CB 3.82Å; H124-A128 WeakPolarHBondContact O-CB 3.47Å; H124-A128 PolarHBondContact O-N 2.87Å; V125-A128 PolarHBondContact O-N 3.06Å; A128-S130 PolarHBondContact O-N 2.77Å; A128-K131 CarbonylContact O-C 3.59Å; A128-K131 WeakPolarHBondContact O-CA 3.24Å; A128-K131 PolarHBondContact O-N 3.39Å; A128-F132 PolarHBondContact O-N 2.87Å; A128-V135 HydrophobicContact CB-CG1 4Å; A128-V135 HydrophobicContact CB-CG2 3.97Å |
| 129 | R | 98.2 | Very high | 98.5 | Very high | 85 Ų | 85 | 43 Ų | 43 | 32% | 0.321 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -62.1 | -28.2 | 177.2 | -178.2 | 66.3 | -148.6 | -172.4 | 12.9 | 113.1 | V125 T126 Y127 K131 D133 V135 G161 | V125-R129 WeakPolarHBondContact O-CB 3.32Å; V125-R129 PolarHBondContact O-N 2.88Å; T126-R129 PolarHBondContact O-N 2.76Å; Y127-R129 VanDerWaalsContact C-N 3.33Å; Y127-R129 PolarHBondContact O-N 3.11Å; R129-K131 PolarHBondContact O-N 3.35Å; R129-D133 VanDerWaalsContact CZ-O 3.3Å; R129-D133 PolarHBondContact NH1-O 3.35Å; R129-D133 PolarHBondContact NH2-O 3.21Å; R129-D133 IonicContact NH2-OD1 2.78Å; R129-D133 PolarHBondContact NH2-OD1 3.18Å; R129-V135 HydrophobicContact CB-CG2 4.33Å; R129-G161 WeakPolarHBondContact CD-O 3.4Å |
| 130 | S | 98.1 | Very high | 98.4 | Very high | 86 Ų | 86 | 39.9 Ų | 39.9 | 60% | 0.601 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -15.8 | 173.9 | 80.2 | 0 | 0 | 0 | 0 | 113.7 | T126 Y127 A128 | T126-S130 PolarHBondContact O-N 3.33Å; Y127-S130 WeakPolarHBondContact O-CB 3.4Å; Y127-S130 PolarHBondContact O-N 3.38Å; Y127-S130 VanDerWaalsContact O-N 3.16Å; Y127-S130 PolarHBondContact O-OG 2.95Å; A128-S130 PolarHBondContact O-N 2.77Å |
| 131 | K | 97.8 | Very high | 98.4 | Very high | 60 Ų | 60 | 38.5 Ų | 38.5 | 26% | 0.261 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -113 | -25.7 | -177.5 | -64.8 | -158.1 | 171.5 | -155.6 | 0 | 114 | I80 D81 Y84 Y127 A128 R129 | I80-K131 HydrophobicContact CG2-CD 4.5Å; D81-K131 WeakPolarHBondContact OD1-CE 3.43Å; D81-K131 IonicContact OD1-NZ 3.78Å; D81-K131 PolarHBondContact OD1-NZ 2.86Å; Y84-K131 HydrophobicContact CD1-CD 4.27Å; Y84-K131 HydrophobicContact CD2-CB 3.7Å; Y84-K131 HydrophobicContact CD2-CD 4.07Å; Y84-K131 HydrophobicContact CD2-CG 4.33Å; Y84-K131 HydrophobicContact CE2-CB 4.13Å; Y84-K131 WeakPolarHBondContact CE2-O 3.28Å; Y84-K131 HydrophobicContact CG-CB 4.3Å; Y84-K131 HydrophobicContact CG-CD 3.82Å; Y127-K131 HydrophobicContact CE1-CD 4.47Å; Y127-K131 VanDerWaalsContact OH-CE 3.29Å; Y127-K131 WeakPolarHBondContact OH-CE 3.38Å; Y127-K131 PolarHBondContact OH-NZ 3.04Å; A128-K131 CarbonylContact O-C 3.59Å; A128-K131 WeakPolarHBondContact O-CA 3.24Å; A128-K131 PolarHBondContact O-N 3.39Å; R129-K131 PolarHBondContact O-N 3.35Å |
| 132 | F | 98 | Very high | 98.3 | Very high | 4 Ų | 4 | 38.5 Ų | 38.5 | 2% | 0.018 | 19% | 0.193 | C | C | . | . | trans | -131.1 | 139.3 | -174.8 | -63.3 | -90.5 | 0 | 0 | 0 | 111.5 | I80 C83 Y84 L87 C95 A128 V134 V135 | I80-F132 HydrophobicContact CG2-CE2 4.45Å; C83-F132 HydrophobicContact CB-CZ 4.18Å; Y84-F132 VanDerWaalsContact CA-CZ 3.43Å; Y84-F132 HydrophobicContact CD2-CE2 4.22Å; Y84-F132 HydrophobicContact CD2-CZ 4.17Å; L87-F132 HydrophobicContact CB-CE1 4.34Å; L87-F132 HydrophobicContact CD1-CE1 3.72Å; L87-F132 HydrophobicContact CD1-CZ 4.04Å; C95-F132 HydrophobicContact CB-CB 4.4Å; C95-F132 HydrophobicContact CB-CD1 4.19Å; C95-F132 HydrophobicContact CB-CD2 3.43Å; C95-F132 VanDerWaalsContact CB-CD2 3.43Å; C95-F132 HydrophobicContact CB-CE1 4.26Å; C95-F132 HydrophobicContact CB-CE2 3.53Å; C95-F132 HydrophobicContact CB-CG 3.76Å; C95-F132 HydrophobicContact CB-CZ 3.92Å; A128-F132 PolarHBondContact O-N 2.87Å; F132-V134 VanDerWaalsContact C-N 3.29Å; F132-V135 HydrophobicContact CB-CG2 4.1Å | ||
| 133 | D | 96.7 | Very high | 98.3 | Very high | 130 Ų | 130 | 32.8 Ų | 32.8 | 70% | 0.695 | 17% | 0.169 | S | C | * | . | S | Bend | trans | -76.6 | -17.6 | 172.4 | -75.9 | -37.4 | 0 | 0 | 0 | 113.3 | R129 | R129-D133 VanDerWaalsContact CZ-O 3.3Å; R129-D133 PolarHBondContact NH1-O 3.35Å; R129-D133 PolarHBondContact NH2-O 3.21Å; R129-D133 IonicContact NH2-OD1 2.78Å; R129-D133 PolarHBondContact NH2-OD1 3.18Å |
| 134 | V | 98.1 | Very high | 98.2 | Very high | 37 Ų | 37 | 32.7 Ų | 32.7 | 22% | 0.224 | 17% | 0.165 | C | C | . | . | trans | -127.3 | 116.8 | 177.5 | 178.5 | 0 | 0 | 0 | 0 | 108.5 | Q94 C95 F132 Y164 | Q94-V134 WeakPolarHBondContact CA-O 3.41Å; Q94-V134 HydrophobicContact CB-CB 4.33Å; Q94-V134 HydrophobicContact CB-CG1 4.05Å; Q94-V134 HydrophobicContact CG-CB 3.91Å; Q94-V134 HydrophobicContact CG-CG1 3.64Å; C95-V134 PolarHBondContact N-O 2.92Å; F132-V134 VanDerWaalsContact C-N 3.29Å; V134-Y164 HydrophobicContact CG1-CD2 3.57Å; V134-Y164 HydrophobicContact CG1-CE2 3.47Å; V134-Y164 VanDerWaalsContact CG1-CE2 3.47Å | ||
| 135 | V | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 125.2 | 178.1 | 178.9 | 0 | 0 | 0 | 0 | 108.4 | C95 V125 A128 R129 F132 T163 Y164 | C95-V135 WeakPolarHBondContact O-CA 3.38Å; V125-V135 HydrophobicContact CG1-CG1 4.2Å; A128-V135 HydrophobicContact CB-CG1 4Å; A128-V135 HydrophobicContact CB-CG2 3.97Å; R129-V135 HydrophobicContact CB-CG2 4.33Å; F132-V135 HydrophobicContact CB-CG2 4.1Å; V135-T163 PolarHBondContact N-OG1 3.5Å; V135-T163 PolarHBondContact O-N 2.85Å; V135-T163 PolarHBondContact O-OG1 2.88Å; V135-Y164 PolarHBondContact O-N 3.11Å; V135-Y164 VanDerWaalsContact O-N 3.14Å |
| 136 | E | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 138.3 | 171.3 | -171.6 | 164.3 | 90.1 | 0 | 0 | 109.4 | C95 H96 V97 Y164 N166 R223 | C95-E136 PolarHBondContact O-N 3.32Å; H96-E136 WeakPolarHBondContact CA-O 3.41Å; H96-E136 HydrophobicContact CB-CB 4.29Å; H96-E136 IonicContact CE1-OE1 2.83Å; H96-E136 IonicContact CG-OE1 3.55Å; H96-E136 IonicContact ND1-OE1 2.8Å; V97-E136 PolarHBondContact N-O 3.19Å; E136-Y164 WeakPolarHBondContact CA-O 3.09Å; E136-Y164 WeakPolarHBondContact OE2-CB 3.28Å; E136-N166 HydrophobicContact CG-CB 4.23Å; E136-R223 IonicContact OE2-CZ 3.01Å; E136-R223 IonicContact OE2-NH1 2.72Å; E136-R223 PolarHBondContact OE2-NH1 3.3Å |
| 137 | F | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 133.3 | 175.7 | 175.7 | -97 | 0 | 0 | 0 | 111.8 | V97 I99 I121 V125 P139 V153 A157 A162 Y164 I165 N166 | V97-F137 VanDerWaalsContact O-CA 3.27Å; V97-F137 WeakPolarHBondContact O-CA 3.46Å; V97-F137 WeakPolarHBondContact O-CD2 3.32Å; I99-F137 HydrophobicContact CG2-CE2 3.99Å; I99-F137 HydrophobicContact CG2-CZ 3.92Å; I121-F137 HydrophobicContact CB-CE2 4.45Å; I121-F137 HydrophobicContact CB-CZ 4.5Å; I121-F137 HydrophobicContact CD1-CE1 4.38Å; I121-F137 HydrophobicContact CD1-CE2 4.34Å; I121-F137 HydrophobicContact CD1-CZ 3.65Å; I121-F137 HydrophobicContact CG1-CE2 3.78Å; I121-F137 HydrophobicContact CG1-CZ 3.62Å; I121-F137 HydrophobicContact CG2-CD2 4.46Å; I121-F137 HydrophobicContact CG2-CE2 4.03Å; I121-F137 HydrophobicContact CG2-CZ 4.08Å; V125-F137 HydrophobicContact CG2-CB 4.4Å; V125-F137 HydrophobicContact CG2-CD2 3.67Å; V125-F137 HydrophobicContact CG2-CE2 4.34Å; V125-F137 HydrophobicContact CG2-CG 4.23Å; F137-P139 HydrophobicContact CE1-CB 4.3Å; F137-P139 HydrophobicContact CE1-CG 4.26Å; F137-V153 HydrophobicContact CE1-CG1 3.58Å; F137-V153 HydrophobicContact CZ-CG1 3.92Å; F137-A157 HydrophobicContact CB-CB 3.9Å; F137-A157 HydrophobicContact CD1-CB 3.36Å; F137-A157 HydrophobicContact CD2-CB 4.29Å; F137-A157 HydrophobicContact CE1-CB 3.95Å; F137-A157 HydrophobicContact CG-CB 3.55Å; F137-A162 HydrophobicContact CB-CB 4.11Å; F137-Y164 PolarHBondContact N-O 3.33Å; F137-I165 HydrophobicContact CB-CD1 4.26Å; F137-I165 HydrophobicContact CD1-CD1 4.49Å; F137-N166 PolarHBondContact O-N 3.37Å |
| 138 | S | 98.8 | Very high | 98 | Very high | 5 Ų | 5 | 37.3 Ų | 37.3 | 4% | 0.035 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 121.9 | 173.1 | -70.1 | 0 | 0 | 0 | 0 | 112.7 | H96 V97 F98 I99 E140 N166 | H96-S138 PolarHBondContact CE1-OG 3.28Å; H96-S138 WeakPolarHBondContact NE2-CB 3.48Å; H96-S138 PolarHBondContact NE2-OG 3.01Å; V97-S138 PolarHBondContact O-N 2.84Å; F98-S138 VanDerWaalsContact CA-O 3.3Å; F98-S138 WeakPolarHBondContact CA-O 3.42Å; F98-S138 WeakPolarHBondContact CB-O 3.06Å; I99-S138 PolarHBondContact N-O 3.46Å; I99-S138 VanDerWaalsContact N-O 3.17Å; S138-E140 PolarHBondContact O-N 2.83Å; S138-N166 VanDerWaalsContact OG-CB 3.26Å; S138-N166 WeakPolarHBondContact OG-CB 3.22Å; S138-N166 PolarHBondContact OG-ND2 3.01Å |
| 139 | P | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 95.7 | 155 | 20 | -7.2 | 0 | 0 | 0 | 108.8 | I99 T101 F137 D141 A142 L150 V153 N166 I167 P168 | I99-P139 CarbonylContact O-C 3.6Å; I99-P139 WeakPolarHBondContact O-CA 3.18Å; T101-P139 HydrophobicContact CG2-CB 3.68Å; T101-P139 WeakPolarHBondContact OG1-CB 3.14Å; F137-P139 HydrophobicContact CE1-CB 4.3Å; F137-P139 HydrophobicContact CE1-CG 4.26Å; P139-D141 PolarHBondContact O-N 3.49Å; P139-A142 HydrophobicContact CB-CB 4.27Å; P139-A142 HydrophobicContact CG-CB 4.04Å; P139-A142 VanDerWaalsContact O-CB 3.3Å; P139-A142 WeakPolarHBondContact O-CB 3.48Å; P139-A142 PolarHBondContact O-N 2.87Å; P139-A142 VanDerWaalsContact O-N 3.11Å; P139-L150 HydrophobicContact CB-CD1 3.82Å; P139-L150 HydrophobicContact CG-CD1 3.57Å; P139-V153 HydrophobicContact CB-CG1 4Å; P139-V153 HydrophobicContact CG-CG1 4.46Å; P139-N166 WeakPolarHBondContact CD-O 3.26Å; P139-I167 HydrophobicContact CG-CD1 4.06Å; P139-P168 WeakPolarHBondContact O-CD 3.44Å; P139-P168 WeakPolarHBondContact O-CG 3.27Å |
| 140 | E | 98.2 | Very high | 98 | Very high | 40 Ų | 40 | 33.4 Ų | 33.4 | 19% | 0.187 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.5 | 133.5 | 176.7 | 170.8 | -165.9 | -162.1 | 0 | 0 | 109.4 | F98 I99 A100 T101 K109 S138 T170 | F98-E140 HydrophobicContact CD2-CB 4.17Å; I99-E140 PolarHBondContact O-N 3.42Å; A100-E140 WeakPolarHBondContact CA-O 3.37Å; A100-E140 HydrophobicContact CB-CB 4.25Å; A100-E140 HydrophobicContact CB-CG 4.3Å; A100-E140 WeakPolarHBondContact CB-OE2 3.28Å; T101-E140 PolarHBondContact N-O 2.86Å; K109-E140 IonicContact NZ-OE1 3.76Å; K109-E140 PolarHBondContact NZ-OE1 3.36Å; K109-E140 IonicContact NZ-OE2 2.8Å; K109-E140 PolarHBondContact NZ-OE2 3.05Å; S138-E140 PolarHBondContact O-N 2.83Å; E140-T170 HydrophobicContact CG-CG2 4.44Å |
| 141 | D | 97.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64 | 39.5 | -173.1 | -159 | 33 | 0 | 0 | 0 | 113.9 | S102 H105 P139 T143 R144 T145 T170 | S102-D141 WeakPolarHBondContact CB-OD2 3.4Å; S102-D141 PolarHBondContact OG-OD2 3.45Å; H105-D141 VanDerWaalsContact CD2-CB 3.49Å; H105-D141 WeakPolarHBondContact CD2-CB 3.3Å; H105-D141 IonicContact CD2-OD2 2.67Å; H105-D141 PolarHBondContact CD2-OD2 2.81Å; H105-D141 VanDerWaalsContact CD2-OD2 3.23Å; H105-D141 IonicContact NE2-OD2 2.8Å; P139-D141 PolarHBondContact O-N 3.49Å; D141-T143 VanDerWaalsContact C-N 3.3Å; D141-T143 PolarHBondContact O-N 3.01Å; D141-R144 VanDerWaalsContact CG-NE 3.27Å; D141-R144 PolarHBondContact O-N 3.22Å; D141-R144 IonicContact OD1-CZ 2.77Å; D141-R144 IonicContact OD1-NE 3.11Å; D141-R144 PolarHBondContact OD1-NE 3.25Å; D141-R144 IonicContact OD1-NH2 2.57Å; D141-R144 PolarHBondContact OD1-NH2 3.45Å; D141-R144 VanDerWaalsContact OD1-NH2 3.09Å; D141-R144 IonicContact OD2-CZ 2.69Å; D141-R144 IonicContact OD2-NE 2.79Å; D141-R144 PolarHBondContact OD2-NE 3.25Å; D141-R144 IonicContact OD2-NH2 2.65Å; D141-R144 PolarHBondContact OD2-NH2 2.9Å; D141-T145 PolarHBondContact O-N 3Å; D141-T145 PolarHBondContact O-OG1 2.86Å; D141-T145 VanDerWaalsContact O-OG1 3.1Å; D141-T170 WeakPolarHBondContact CA-OG1 3.29Å; D141-T170 PolarHBondContact N-OG1 3.26Å |
| 142 | A | 98.1 | Very high | 98.1 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.162 | C | C | . | . | G | 310 helix | trans | -57 | -39.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | P139 R144 T145 L150 I167 P168 | P139-A142 HydrophobicContact CB-CB 4.27Å; P139-A142 HydrophobicContact CG-CB 4.04Å; P139-A142 VanDerWaalsContact O-CB 3.3Å; P139-A142 WeakPolarHBondContact O-CB 3.48Å; P139-A142 PolarHBondContact O-N 2.87Å; P139-A142 VanDerWaalsContact O-N 3.11Å; A142-R144 PolarHBondContact O-N 3.38Å; A142-R144 VanDerWaalsContact O-N 3.15Å; A142-T145 VanDerWaalsContact O-CB 3.28Å; A142-T145 WeakPolarHBondContact O-CB 3.45Å; A142-T145 PolarHBondContact O-N 2.78Å; A142-L150 HydrophobicContact CB-CD1 4.02Å; A142-L150 HydrophobicContact CB-CD2 4.33Å; A142-I167 HydrophobicContact CB-CG2 3.78Å; A142-P168 HydrophobicContact CB-CG 4.41Å; A142-P168 PolarHBondContact N-O 3.22Å |
| 143 | T | 97.3 | Very high | 98.2 | Very high | 10 Ų | 10 | 32.3 Ų | 32.3 | 6% | 0.061 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | -65 | -18 | -177.5 | 52 | 0 | 0 | 0 | 0 | 113.9 | D141 D169 T174 Y179 I182 | D141-T143 VanDerWaalsContact C-N 3.3Å; D141-T143 PolarHBondContact O-N 3.01Å; T143-D169 HydrophobicContact CG2-CB 3.66Å; T143-D169 PolarHBondContact OG1-OD1 3.4Å; T143-T174 HydrophobicContact CG2-CG2 4.09Å; T143-Y179 HydrophobicContact CG2-CD2 3.63Å; T143-Y179 HydrophobicContact CG2-CE2 3.63Å; T143-I182 HydrophobicContact CG2-CD1 4.35Å |
| 144 | R | 97.1 | Very high | 98.3 | Very high | 90 Ų | 90 | 26.1 Ų | 26.1 | 34% | 0.34 | 13% | 0.128 | S | C | . | . | G | 310 helix | trans | -104.2 | 5 | 172.7 | -62.1 | -170 | -62.8 | 179.2 | 1.7 | 113.5 | P103 D141 A142 F173 | P103-R144 WeakPolarHBondContact CD-O 3.39Å; D141-R144 VanDerWaalsContact CG-NE 3.27Å; D141-R144 PolarHBondContact O-N 3.22Å; D141-R144 IonicContact OD1-CZ 2.77Å; D141-R144 IonicContact OD1-NE 3.11Å; D141-R144 PolarHBondContact OD1-NE 3.25Å; D141-R144 IonicContact OD1-NH2 2.57Å; D141-R144 PolarHBondContact OD1-NH2 3.45Å; D141-R144 VanDerWaalsContact OD1-NH2 3.09Å; D141-R144 IonicContact OD2-CZ 2.69Å; D141-R144 IonicContact OD2-NE 2.79Å; D141-R144 PolarHBondContact OD2-NE 3.25Å; D141-R144 IonicContact OD2-NH2 2.65Å; D141-R144 PolarHBondContact OD2-NH2 2.9Å; A142-R144 PolarHBondContact O-N 3.38Å; A142-R144 VanDerWaalsContact O-N 3.15Å; R144-F173 HydrophobicContact CG-CD1 4.19Å; R144-F173 HydrophobicContact CG-CE1 3.22Å; R144-F173 HydrophobicContact CG-CE2 4.46Å; R144-F173 HydrophobicContact CG-CZ 3.4Å; R144-F173 VanDerWaalsContact CG-CZ 3.4Å |
| 145 | T | 98.1 | Very high | 98.3 | Very high | 12 Ų | 12 | 26 Ų | 26 | 7% | 0.074 | 13% | 0.125 | C | C | . | . | S | Bend | trans | -85.1 | 137.7 | 175.5 | -57.3 | 0 | 0 | 0 | 0 | 109.7 | T101 S102 D141 A142 L147 Y149 L150 | T101-T145 PolarHBondContact OG1-OG1 3.39Å; S102-T145 WeakPolarHBondContact CA-OG1 3.41Å; S102-T145 PolarHBondContact N-OG1 3.35Å; D141-T145 PolarHBondContact O-N 3Å; D141-T145 PolarHBondContact O-OG1 2.86Å; D141-T145 VanDerWaalsContact O-OG1 3.1Å; A142-T145 VanDerWaalsContact O-CB 3.28Å; A142-T145 WeakPolarHBondContact O-CB 3.45Å; A142-T145 PolarHBondContact O-N 2.78Å; T145-L147 PolarHBondContact O-N 2.87Å; T145-Y149 HydrophobicContact CG2-CD1 3.74Å; T145-Y149 HydrophobicContact CG2-CE1 4.43Å; T145-L150 HydrophobicContact CG2-CB 3.96Å; T145-L150 HydrophobicContact CG2-CD1 4.4Å |
| 146 | E | 97.9 | Very high | 98.3 | Very high | 61 Ų | 61 | 27.4 Ų | 27.4 | 29% | 0.285 | 13% | 0.134 | S | C | . | . | trans | -58.9 | 128 | 177.9 | -49 | 97 | 120.6 | 0 | 0 | 110 | P103 R106 K114 D148 Y149 L150 | P103-E146 HydrophobicContact CG-CG 4.37Å; P103-E146 WeakPolarHBondContact CG-OE2 3.15Å; R106-E146 IonicContact CZ-OE1 3.64Å; R106-E146 IonicContact CZ-OE2 2.87Å; R106-E146 IonicContact NH1-OE1 2.86Å; R106-E146 IonicContact NH1-OE2 2.75Å; R106-E146 PolarHBondContact NH1-OE2 3.39Å; R106-E146 IonicContact NH2-OE1 3.91Å; R106-E146 PolarHBondContact NH2-OE1 3.47Å; R106-E146 IonicContact NH2-OE2 2.6Å; R106-E146 PolarHBondContact NH2-OE2 2.94Å; K114-E146 WeakPolarHBondContact CE-OE1 3.16Å; K114-E146 IonicContact NZ-OE1 2.7Å; K114-E146 PolarHBondContact NZ-OE1 3.23Å; K114-E146 IonicContact NZ-OE2 2.62Å; E146-D148 VanDerWaalsContact C-N 3.27Å; E146-D148 VanDerWaalsContact CB-OD1 3.31Å; E146-D148 WeakPolarHBondContact CB-OD1 3.41Å; E146-D148 PolarHBondContact O-N 3.13Å; E146-D148 VanDerWaalsContact O-N 3.17Å; E146-Y149 CarbonylContact O-C 3.5Å; E146-Y149 WeakPolarHBondContact O-CA 3.26Å; E146-Y149 PolarHBondContact O-N 3.37Å; E146-L150 PolarHBondContact O-N 2.78Å | ||
| 147 | L | 97.6 | Very high | 98.3 | Very high | 70 Ų | 70 | 27.4 Ų | 27.4 | 37% | 0.366 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -57.5 | -36.9 | -166.5 | -174.8 | 61.9 | 0 | 0 | 0 | 113.9 | T145 L150 L151 I182 Y185 | T145-L147 PolarHBondContact O-N 2.87Å; L147-L150 PolarHBondContact O-N 3.06Å; L147-L151 PolarHBondContact O-N 3.33Å; L147-I182 HydrophobicContact CD1-CG1 4.34Å; L147-I182 HydrophobicContact CD1-CG2 4.5Å; L147-Y185 HydrophobicContact CD1-CD1 3.53Å; L147-Y185 HydrophobicContact CD1-CE1 4.04Å; L147-Y185 HydrophobicContact CD1-CG 4.2Å; L147-Y185 HydrophobicContact CD2-CD1 3.83Å; L147-Y185 HydrophobicContact CD2-CD2 4.24Å; L147-Y185 HydrophobicContact CD2-CE1 4.07Å; L147-Y185 HydrophobicContact CD2-CE2 4.48Å; L147-Y185 HydrophobicContact CD2-CG 3.9Å; L147-Y185 HydrophobicContact CG-CD1 3.56Å; L147-Y185 HydrophobicContact CG-CE1 3.62Å; L147-Y185 HydrophobicContact CG-CG 4.17Å |
| 148 | D | 98 | Very high | 98.3 | Very high | 94 Ų | 94 | 27.4 Ų | 27.4 | 50% | 0.503 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -67.8 | -36 | 176 | 61.9 | -31.8 | 0 | 0 | 0 | 112.7 | E146 Q152 | E146-D148 VanDerWaalsContact C-N 3.27Å; E146-D148 VanDerWaalsContact CB-OD1 3.31Å; E146-D148 WeakPolarHBondContact CB-OD1 3.41Å; E146-D148 PolarHBondContact O-N 3.13Å; E146-D148 VanDerWaalsContact O-N 3.17Å; D148-Q152 WeakPolarHBondContact O-CG 3.45Å; D148-Q152 PolarHBondContact O-N 2.85Å; D148-Q152 PolarHBondContact O-NE2 2.84Å |
| 149 | Y | 98.6 | Very high | 98.3 | Very high | 1 Ų | 1 | 32.7 Ų | 32.7 | 0% | 0.004 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -78.1 | -36.5 | 174 | -178.3 | -119.3 | 0 | 0 | 0 | 111.8 | K114 I117 L118 T145 E146 L151 Q152 V153 | K114-Y149 VanDerWaalsContact CA-OH 3.28Å; K114-Y149 WeakPolarHBondContact CA-OH 3.47Å; K114-Y149 HydrophobicContact CB-CD2 4.11Å; K114-Y149 HydrophobicContact CB-CE2 3.44Å; K114-Y149 VanDerWaalsContact CB-CE2 3.44Å; K114-Y149 HydrophobicContact CD-CD1 4.19Å; K114-Y149 HydrophobicContact CD-CD2 3.59Å; K114-Y149 HydrophobicContact CD-CE1 4.38Å; K114-Y149 HydrophobicContact CD-CE2 3.82Å; K114-Y149 HydrophobicContact CD-CG 3.8Å; K114-Y149 HydrophobicContact CG-CD1 4.25Å; K114-Y149 HydrophobicContact CG-CD2 3.92Å; K114-Y149 HydrophobicContact CG-CE1 3.95Å; K114-Y149 HydrophobicContact CG-CE2 3.59Å; K114-Y149 HydrophobicContact CG-CG 4.24Å; K114-Y149 PolarHBondContact O-OH 2.87Å; I117-Y149 WeakPolarHBondContact CB-OH 3.35Å; L118-Y149 HydrophobicContact CD1-CE2 4.3Å; L118-Y149 HydrophobicContact CD2-CE2 4.14Å; L118-Y149 HydrophobicContact CG-CE2 4.19Å; T145-Y149 HydrophobicContact CG2-CD1 3.74Å; T145-Y149 HydrophobicContact CG2-CE1 4.43Å; E146-Y149 CarbonylContact O-C 3.5Å; E146-Y149 WeakPolarHBondContact O-CA 3.26Å; E146-Y149 PolarHBondContact O-N 3.37Å; Y149-L151 VanDerWaalsContact C-N 3.29Å; Y149-L151 PolarHBondContact O-N 2.86Å; Y149-Q152 HydrophobicContact CD2-CB 4.44Å; Y149-Q152 WeakPolarHBondContact O-CB 3.34Å; Y149-Q152 PolarHBondContact O-N 3.35Å; Y149-V153 HydrophobicContact CD1-CG2 4.29Å; Y149-V153 HydrophobicContact CD2-CG2 4.49Å; Y149-V153 HydrophobicContact CE1-CG2 3.83Å; Y149-V153 HydrophobicContact CE2-CG2 4.05Å; Y149-V153 WeakPolarHBondContact O-CG2 3.38Å; Y149-V153 PolarHBondContact O-N 3.05Å |
| 150 | L | 98.7 | Very high | 98.3 | Very high | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -58.7 | -42.7 | 173.8 | -177.8 | 60.4 | 0 | 0 | 0 | 110.9 | P139 A142 T145 E146 L147 Q152 V153 V154 I182 L186 | P139-L150 HydrophobicContact CB-CD1 3.82Å; P139-L150 HydrophobicContact CG-CD1 3.57Å; A142-L150 HydrophobicContact CB-CD1 4.02Å; A142-L150 HydrophobicContact CB-CD2 4.33Å; T145-L150 HydrophobicContact CG2-CB 3.96Å; T145-L150 HydrophobicContact CG2-CD1 4.4Å; E146-L150 PolarHBondContact O-N 2.78Å; L147-L150 PolarHBondContact O-N 3.06Å; L150-Q152 VanDerWaalsContact C-N 3.34Å; L150-Q152 PolarHBondContact O-N 3.39Å; L150-V153 PolarHBondContact O-N 3.47Å; L150-V154 HydrophobicContact CD1-CG2 4.43Å; L150-V154 WeakPolarHBondContact O-CG2 3.47Å; L150-V154 PolarHBondContact O-N 3.48Å; L150-I182 HydrophobicContact CD2-CG2 3.96Å; L150-L186 HydrophobicContact CD2-CD1 4Å; L150-L186 HydrophobicContact CD2-CD2 4.49Å; L150-L186 HydrophobicContact CG-CD1 4.26Å; L150-L186 HydrophobicContact CG-CD2 4.18Å |
| 151 | L | 98.8 | Very high | 98.3 | Very high | 29 Ų | 29 | 31.7 Ų | 31.7 | 15% | 0.152 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60.4 | -40.9 | 173 | 177.2 | 62.5 | 0 | 0 | 0 | 112.3 | L147 Y149 V154 Q155 Y185 L186 N189 | L147-L151 PolarHBondContact O-N 3.33Å; Y149-L151 VanDerWaalsContact C-N 3.29Å; Y149-L151 PolarHBondContact O-N 2.86Å; L151-V154 PolarHBondContact O-N 2.9Å; L151-Q155 VanDerWaalsContact O-CB 3.22Å; L151-Q155 WeakPolarHBondContact O-CB 3.47Å; L151-Q155 PolarHBondContact O-N 2.99Å; L151-Y185 HydrophobicContact CB-CE1 4.05Å; L151-Y185 HydrophobicContact CD2-CE1 3.95Å; L151-Y185 HydrophobicContact CG-CE1 4.49Å; L151-L186 HydrophobicContact CB-CD2 4.17Å; L151-L186 HydrophobicContact CD1-CD2 4.28Å; L151-N189 HydrophobicContact CD1-CB 3.86Å; L151-N189 HydrophobicContact CD2-CB 3.74Å; L151-N189 HydrophobicContact CG-CB 4.48Å |
| 152 | Q | 98.6 | Very high | 98.3 | Very high | 98 Ų | 98 | 31.7 Ų | 31.7 | 46% | 0.458 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -64.3 | -40.3 | 176 | -71.8 | 171.7 | 67.1 | 0 | 0 | 112.1 | D148 Y149 L150 T156 | D148-Q152 WeakPolarHBondContact O-CG 3.45Å; D148-Q152 PolarHBondContact O-N 2.85Å; D148-Q152 PolarHBondContact O-NE2 2.84Å; Y149-Q152 HydrophobicContact CD2-CB 4.44Å; Y149-Q152 WeakPolarHBondContact O-CB 3.34Å; Y149-Q152 PolarHBondContact O-N 3.35Å; L150-Q152 VanDerWaalsContact C-N 3.34Å; L150-Q152 PolarHBondContact O-N 3.39Å; Q152-T156 WeakPolarHBondContact O-CB 3.36Å; Q152-T156 PolarHBondContact O-N 3.15Å; Q152-T156 PolarHBondContact O-OG1 2.89Å |
| 153 | V | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.5 | -51.5 | 175.5 | 165.8 | 0 | 0 | 0 | 0 | 110.4 | T101 L118 I121 F137 P139 Y149 L150 Q155 T156 A157 | T101-V153 HydrophobicContact CG2-CB 4.49Å; T101-V153 HydrophobicContact CG2-CG1 3.86Å; T101-V153 HydrophobicContact CG2-CG2 3.97Å; L118-V153 HydrophobicContact CD2-CB 4.36Å; L118-V153 HydrophobicContact CD2-CG2 3.78Å; I121-V153 HydrophobicContact CD1-CB 4.23Å; I121-V153 HydrophobicContact CD1-CG1 3.51Å; I121-V153 HydrophobicContact CD1-CG2 4.19Å; F137-V153 HydrophobicContact CE1-CG1 3.58Å; F137-V153 HydrophobicContact CZ-CG1 3.92Å; P139-V153 HydrophobicContact CB-CG1 4Å; P139-V153 HydrophobicContact CG-CG1 4.46Å; Y149-V153 HydrophobicContact CD1-CG2 4.29Å; Y149-V153 HydrophobicContact CD2-CG2 4.49Å; Y149-V153 HydrophobicContact CE1-CG2 3.83Å; Y149-V153 HydrophobicContact CE2-CG2 4.05Å; Y149-V153 WeakPolarHBondContact O-CG2 3.38Å; Y149-V153 PolarHBondContact O-N 3.05Å; L150-V153 PolarHBondContact O-N 3.47Å; V153-Q155 PolarHBondContact O-N 3.47Å; V153-T156 PolarHBondContact O-N 3.06Å; V153-A157 PolarHBondContact O-N 3.09Å |
| 154 | V | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.7 | -47.9 | 178.5 | 169.6 | 0 | 0 | 0 | 0 | 110.7 | L150 L151 T156 A157 V158 I165 I167 L186 T190 F198 | L150-V154 HydrophobicContact CD1-CG2 4.43Å; L150-V154 WeakPolarHBondContact O-CG2 3.47Å; L150-V154 PolarHBondContact O-N 3.48Å; L151-V154 PolarHBondContact O-N 2.9Å; V154-T156 VanDerWaalsContact C-N 3.28Å; V154-T156 PolarHBondContact O-N 3.12Å; V154-A157 PolarHBondContact O-N 3.36Å; V154-V158 HydrophobicContact CG1-CG2 4.38Å; V154-V158 WeakPolarHBondContact O-CG2 3.34Å; V154-V158 PolarHBondContact O-N 2.63Å; V154-I165 HydrophobicContact CG1-CD1 4.38Å; V154-I165 HydrophobicContact CG1-CG1 4.2Å; V154-I165 HydrophobicContact CG1-CG2 3.95Å; V154-I165 HydrophobicContact CG2-CG2 3.9Å; V154-I167 HydrophobicContact CG2-CD1 4.02Å; V154-L186 HydrophobicContact CG2-CD1 4.33Å; V154-L186 HydrophobicContact CG2-CD2 4.21Å; V154-T190 HydrophobicContact CG1-CG2 4.04Å; V154-T190 WeakPolarHBondContact CG1-OG1 3.5Å; V154-F198 HydrophobicContact CG1-CE1 4.13Å; V154-F198 HydrophobicContact CG1-CZ 4.22Å |
| 155 | Q | 98.8 | Very high | 98.5 | Very high | 35 Ų | 35 | 29.1 Ų | 29.1 | 16% | 0.164 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -58.4 | -41.7 | 177.2 | -172.7 | 63.6 | 61.7 | 0 | 0 | 111.4 | L151 V153 A157 V158 D159 K191 | L151-Q155 VanDerWaalsContact O-CB 3.22Å; L151-Q155 WeakPolarHBondContact O-CB 3.47Å; L151-Q155 PolarHBondContact O-N 2.99Å; V153-Q155 PolarHBondContact O-N 3.47Å; Q155-A157 PolarHBondContact O-N 3.09Å; Q155-V158 PolarHBondContact O-N 2.93Å; Q155-D159 PolarHBondContact NE2-OD1 2.87Å; Q155-D159 WeakPolarHBondContact O-CB 3.46Å; Q155-D159 PolarHBondContact O-N 2.95Å; Q155-K191 PolarHBondContact NE2-O 2.89Å |
| 156 | T | 98.8 | Very high | 98.5 | Very high | 29 Ų | 29 | 28.6 Ų | 28.6 | 18% | 0.178 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -64 | -41.5 | 177.9 | -59.1 | 0 | 0 | 0 | 0 | 111.9 | L118 I121 K122 Q152 V153 V154 A160 | L118-T156 HydrophobicContact CB-CG2 4.38Å; L118-T156 WeakPolarHBondContact O-CG2 3.41Å; I121-T156 HydrophobicContact CB-CG2 4.26Å; I121-T156 HydrophobicContact CG2-CG2 4.02Å; K122-T156 HydrophobicContact CB-CG2 4.08Å; Q152-T156 WeakPolarHBondContact O-CB 3.36Å; Q152-T156 PolarHBondContact O-N 3.15Å; Q152-T156 PolarHBondContact O-OG1 2.89Å; V153-T156 PolarHBondContact O-N 3.06Å; V154-T156 VanDerWaalsContact C-N 3.28Å; V154-T156 PolarHBondContact O-N 3.12Å; T156-A160 WeakPolarHBondContact O-CB 3.49Å; T156-A160 PolarHBondContact O-N 3.48Å |
| 157 | A | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -66.4 | -42.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | I121 V125 F137 V153 V154 Q155 A160 G161 A162 I165 | I121-A157 HydrophobicContact CG2-CB 3.79Å; V125-A157 HydrophobicContact CG2-CB 4.46Å; F137-A157 HydrophobicContact CB-CB 3.9Å; F137-A157 HydrophobicContact CD1-CB 3.36Å; F137-A157 HydrophobicContact CD2-CB 4.29Å; F137-A157 HydrophobicContact CE1-CB 3.95Å; F137-A157 HydrophobicContact CG-CB 3.55Å; V153-A157 PolarHBondContact O-N 3.09Å; V154-A157 PolarHBondContact O-N 3.36Å; Q155-A157 PolarHBondContact O-N 3.09Å; A157-A160 PolarHBondContact O-N 3.08Å; A157-G161 PolarHBondContact O-N 2.92Å; A157-A162 HydrophobicContact CB-CB 4.2Å; A157-A162 VanDerWaalsContact O-CB 3.28Å; A157-A162 WeakPolarHBondContact O-CB 3.4Å; A157-A162 PolarHBondContact O-N 2.84Å; A157-I165 HydrophobicContact CB-CD1 4.09Å |
| 158 | V | 98.7 | Very high | 98.6 | Very high | 1 Ų | 1 | 22.6 Ų | 22.6 | 1% | 0.006 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -62.1 | -48.5 | 174.8 | 169.7 | 0 | 0 | 0 | 0 | 110.5 | V154 Q155 A160 G161 I165 T190 R194 I196 | V154-V158 HydrophobicContact CG1-CG2 4.38Å; V154-V158 WeakPolarHBondContact O-CG2 3.34Å; V154-V158 PolarHBondContact O-N 2.63Å; Q155-V158 PolarHBondContact O-N 2.93Å; V158-A160 PolarHBondContact O-N 2.91Å; V158-G161 PolarHBondContact O-N 2.91Å; V158-G161 VanDerWaalsContact O-N 3.08Å; V158-I165 HydrophobicContact CG2-CD1 3.87Å; V158-I165 HydrophobicContact CG2-CG1 3.94Å; V158-T190 HydrophobicContact CB-CG2 4.35Å; V158-T190 HydrophobicContact CG1-CG2 4.42Å; V158-T190 HydrophobicContact CG2-CG2 3.84Å; V158-R194 PolarHBondContact O-NH2 2.81Å; V158-I196 HydrophobicContact CG1-CD1 3.94Å; V158-I196 HydrophobicContact CG1-CG1 4.08Å; V158-I196 HydrophobicContact CG2-CD1 4.07Å; V158-I196 HydrophobicContact CG2-CG1 4.11Å; V158-I196 HydrophobicContact CG2-CG2 4.19Å |
| 159 | D | 98.6 | Very high | 98.6 | Very high | 115 Ų | 115 | 18.1 Ų | 18.1 | 62% | 0.615 | 10% | 0.096 | S | C | * | . | H | α-helix | trans | -61.5 | -31.2 | 177.7 | -68 | -14.7 | 0 | 0 | 0 | 112.1 | Q155 | Q155-D159 PolarHBondContact NE2-OD1 2.87Å; Q155-D159 WeakPolarHBondContact O-CB 3.46Å; Q155-D159 PolarHBondContact O-N 2.95Å |
| 160 | A | 98.5 | Very high | 98.5 | Very high | 11 Ų | 11 | 19.2 Ų | 19.2 | 9% | 0.091 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -79.6 | -10.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | V125 T126 T156 A157 V158 | V125-A160 HydrophobicContact CB-CB 3.8Å; V125-A160 HydrophobicContact CG1-CB 3.8Å; T126-A160 WeakPolarHBondContact CA-O 3.16Å; T156-A160 WeakPolarHBondContact O-CB 3.49Å; T156-A160 PolarHBondContact O-N 3.48Å; A157-A160 PolarHBondContact O-N 3.08Å; V158-A160 PolarHBondContact O-N 2.91Å |
| 161 | G | 98.2 | Very high | 98.3 | Very high | 8 Ų | 8 | 20.8 Ų | 20.8 | 8% | 0.082 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 121 | 1.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | R129 A157 V158 R194 | R129-G161 WeakPolarHBondContact CD-O 3.4Å; A157-G161 PolarHBondContact O-N 2.92Å; V158-G161 PolarHBondContact O-N 2.91Å; V158-G161 VanDerWaalsContact O-N 3.08Å; G161-R194 VanDerWaalsContact C-NH2 3.26Å |
| 162 | A | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 11% | 0.106 | C | C | . | . | trans | -58.4 | 142.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | V125 F137 A157 I165 R194 I196 | V125-A162 HydrophobicContact CG1-CB 4.01Å; F137-A162 HydrophobicContact CB-CB 4.11Å; A157-A162 HydrophobicContact CB-CB 4.2Å; A157-A162 VanDerWaalsContact O-CB 3.28Å; A157-A162 WeakPolarHBondContact O-CB 3.4Å; A157-A162 PolarHBondContact O-N 2.84Å; A162-I165 HydrophobicContact CB-CD1 3.85Å; A162-R194 PolarHBondContact O-NH2 2.74Å; A162-I196 WeakPolarHBondContact O-CD1 3.27Å | ||
| 163 | T | 98.1 | Very high | 97.9 | Very high | 20 Ų | 20 | 18.7 Ų | 18.7 | 12% | 0.123 | 10% | 0.101 | C | C | . | . | S | Bend | trans | -114.4 | -27.1 | 177.1 | 52.4 | 0 | 0 | 0 | 0 | 111.6 | V135 I197 | V135-T163 PolarHBondContact N-OG1 3.5Å; V135-T163 PolarHBondContact O-N 2.85Å; V135-T163 PolarHBondContact O-OG1 2.88Å; T163-I197 PolarHBondContact O-N 3.02Å; T163-I197 VanDerWaalsContact O-N 3.14Å |
| 164 | Y | 98.7 | Very high | 97.7 | Very high | 26 Ų | 26 | 18.7 Ų | 18.7 | 10% | 0.102 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 138.9 | 169.6 | -68 | -92.9 | 0 | 0 | 0 | 109.6 | E5 V134 V135 E136 F137 I197 R223 | E5-Y164 PolarHBondContact OE1-OH 3.04Å; E5-Y164 WeakPolarHBondContact OE2-CE1 3.38Å; E5-Y164 PolarHBondContact OE2-OH 3.2Å; E5-Y164 VanDerWaalsContact OE2-OH 3.04Å; V134-Y164 HydrophobicContact CG1-CD2 3.57Å; V134-Y164 HydrophobicContact CG1-CE2 3.47Å; V134-Y164 VanDerWaalsContact CG1-CE2 3.47Å; V135-Y164 PolarHBondContact O-N 3.11Å; V135-Y164 VanDerWaalsContact O-N 3.14Å; E136-Y164 WeakPolarHBondContact CA-O 3.09Å; E136-Y164 WeakPolarHBondContact OE2-CB 3.28Å; F137-Y164 PolarHBondContact N-O 3.33Å; Y164-I197 VanDerWaalsContact CA-O 3.31Å; Y164-I197 WeakPolarHBondContact CA-O 3.38Å; Y164-I197 HydrophobicContact CD1-CB 3.5Å; Y164-I197 VanDerWaalsContact CD1-CB 3.5Å; Y164-I197 HydrophobicContact CD1-CD1 4.42Å; Y164-I197 HydrophobicContact CD1-CG2 3.6Å; Y164-I197 HydrophobicContact CE1-CB 3.47Å; Y164-I197 VanDerWaalsContact CE1-CB 3.47Å; Y164-I197 HydrophobicContact CE1-CD1 3.52Å; Y164-I197 HydrophobicContact CE1-CG1 4.06Å; Y164-I197 HydrophobicContact CE1-CG2 3.52Å; Y164-I197 HydrophobicContact CG-CB 4.44Å; Y164-R223 VanDerWaalsContact CE1-NE 3.29Å; Y164-R223 PolarHBondContact OH-NH2 2.88Å |
| 165 | I | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 110.1 | 174.8 | -61.4 | -64.1 | 0 | 0 | 0 | 107.8 | F137 V154 A157 V158 A162 I167 I196 I197 F198 S199 | F137-I165 HydrophobicContact CB-CD1 4.26Å; F137-I165 HydrophobicContact CD1-CD1 4.49Å; V154-I165 HydrophobicContact CG1-CD1 4.38Å; V154-I165 HydrophobicContact CG1-CG1 4.2Å; V154-I165 HydrophobicContact CG1-CG2 3.95Å; V154-I165 HydrophobicContact CG2-CG2 3.9Å; A157-I165 HydrophobicContact CB-CD1 4.09Å; V158-I165 HydrophobicContact CG2-CD1 3.87Å; V158-I165 HydrophobicContact CG2-CG1 3.94Å; A162-I165 HydrophobicContact CB-CD1 3.85Å; I165-I167 HydrophobicContact CG2-CD1 3.72Å; I165-I167 HydrophobicContact CG2-CG1 4.29Å; I165-I196 HydrophobicContact CB-CG2 4.34Å; I165-I196 HydrophobicContact CG1-CG2 3.59Å; I165-I197 PolarHBondContact N-O 2.83Å; I165-F198 HydrophobicContact CB-CD1 3.95Å; I165-F198 HydrophobicContact CB-CE1 3.95Å; I165-F198 HydrophobicContact CB-CG 4.49Å; I165-F198 HydrophobicContact CB-CZ 4.49Å; I165-F198 HydrophobicContact CG2-CD1 3.88Å; I165-F198 HydrophobicContact CG2-CE1 3.73Å; I165-F198 CarbonylContact O-C 3.58Å; I165-F198 VanDerWaalsContact O-CA 3.27Å; I165-F198 WeakPolarHBondContact O-CA 3.4Å; I165-S199 PolarHBondContact O-N 3.48Å |
| 166 | N | 98.8 | Very high | 97.7 | Very high | 1 Ų | 1 | 22.2 Ų | 22.2 | 1% | 0.005 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 135.5 | 174.1 | 177.1 | 26.8 | 0 | 0 | 0 | 109.8 | E136 F137 S138 P139 P168 S199 H201 E225 | E136-N166 HydrophobicContact CG-CB 4.23Å; F137-N166 PolarHBondContact O-N 3.37Å; S138-N166 VanDerWaalsContact OG-CB 3.26Å; S138-N166 WeakPolarHBondContact OG-CB 3.22Å; S138-N166 PolarHBondContact OG-ND2 3.01Å; P139-N166 WeakPolarHBondContact CD-O 3.26Å; N166-P168 WeakPolarHBondContact O-CD 2.97Å; N166-S199 CarbonylContact C-O 3.16Å; N166-S199 VanDerWaalsContact CA-O 3.27Å; N166-S199 WeakPolarHBondContact CA-O 3.15Å; N166-S199 PolarHBondContact OD1-O 3.01Å; N166-H201 WeakPolarHBondContact OD1-CB 3.49Å; N166-E225 VanDerWaalsContact CB-OE1 3.32Å; N166-E225 WeakPolarHBondContact CB-OE1 3.35Å; N166-E225 PolarHBondContact ND2-OE1 2.95Å; N166-E225 PolarHBondContact ND2-OE2 3.3Å; N166-E225 PolarHBondContact OD1-OE1 2.85Å |
| 167 | I | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 89.9 | 179.6 | -56.7 | -60.9 | 0 | 0 | 0 | 107.8 | P139 A142 V154 I165 Y179 I182 F183 L186 F198 S199 | P139-I167 HydrophobicContact CG-CD1 4.06Å; A142-I167 HydrophobicContact CB-CG2 3.78Å; V154-I167 HydrophobicContact CG2-CD1 4.02Å; I165-I167 HydrophobicContact CG2-CD1 3.72Å; I165-I167 HydrophobicContact CG2-CG1 4.29Å; I167-Y179 HydrophobicContact CG2-CE2 4.33Å; I167-Y179 PolarHBondContact O-OH 3.47Å; I167-I182 HydrophobicContact CG2-CG2 3.97Å; I167-F183 HydrophobicContact CB-CE2 3.83Å; I167-F183 HydrophobicContact CB-CZ 3.7Å; I167-F183 HydrophobicContact CG1-CE2 4.44Å; I167-F183 HydrophobicContact CG1-CZ 4.11Å; I167-F183 HydrophobicContact CG2-CE2 4.06Å; I167-F183 HydrophobicContact CG2-CZ 4.45Å; I167-L186 HydrophobicContact CD1-CD1 3.47Å; I167-L186 VanDerWaalsContact CD1-CD1 3.47Å; I167-L186 HydrophobicContact CG1-CD1 3.8Å; I167-F198 HydrophobicContact CG1-CD1 4.35Å; I167-S199 PolarHBondContact N-O 2.89Å |
| 168 | P | 98.4 | Very high | 97.6 | Very high | 6 Ų | 6 | 32.1 Ų | 32.1 | 4% | 0.039 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 134.8 | -174.9 | 29.7 | -35.8 | 0 | 0 | 0 | 112.8 | P139 A142 N166 T170 H201 | P139-P168 WeakPolarHBondContact O-CD 3.44Å; P139-P168 WeakPolarHBondContact O-CG 3.27Å; A142-P168 HydrophobicContact CB-CG 4.41Å; A142-P168 PolarHBondContact N-O 3.22Å; N166-P168 WeakPolarHBondContact O-CD 2.97Å; P168-T170 VanDerWaalsContact C-N 3.27Å; P168-T170 PolarHBondContact O-N 3.25Å; P168-H201 CarbonylContact C-O 3.56Å; P168-H201 WeakPolarHBondContact CA-O 3.21Å; P168-H201 HydrophobicContact CB-CB 4.15Å |
| 169 | D | 98.2 | Very high | 97.6 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 71 | 157.4 | -174.4 | 28.4 | 0 | 0 | 0 | 108.9 | T143 V171 G172 F173 T174 Y179 H201 H203 | T143-D169 HydrophobicContact CG2-CB 3.66Å; T143-D169 PolarHBondContact OG1-OD1 3.4Å; D169-V171 PolarHBondContact O-N 3.17Å; D169-G172 PolarHBondContact O-N 3.43Å; D169-G172 WeakPolarHBondContact OD2-CA 3.45Å; D169-F173 PolarHBondContact OD1-N 2.92Å; D169-F173 PolarHBondContact OD2-N 2.89Å; D169-F173 VanDerWaalsContact OD2-N 3.12Å; D169-T174 HydrophobicContact CB-CG2 4.18Å; D169-T174 WeakPolarHBondContact OD2-CG2 3.27Å; D169-T174 PolarHBondContact OD2-N 3.29Å; D169-Y179 HydrophobicContact CB-CE2 4.06Å; D169-H201 PolarHBondContact N-O 3.27Å; D169-H203 PolarHBondContact O-N 2.86Å |
| 170 | T | 96.6 | Very high | 97.6 | Very high | 23 Ų | 23 | 26.7 Ų | 26.7 | 14% | 0.141 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -30.1 | -168 | -59.7 | 0 | 0 | 0 | 0 | 113.8 | E140 D141 P168 H203 R234 | E140-T170 HydrophobicContact CG-CG2 4.44Å; D141-T170 WeakPolarHBondContact CA-OG1 3.29Å; D141-T170 PolarHBondContact N-OG1 3.26Å; P168-T170 VanDerWaalsContact C-N 3.27Å; P168-T170 PolarHBondContact O-N 3.25Å; T170-H203 PolarHBondContact O-CD2 3.18Å; T170-R234 PolarHBondContact O-NH2 3.03Å |
| 171 | V | 95 | Very high | 97.6 | Very high | 35 Ų | 35 | 30.1 Ų | 30.1 | 21% | 0.212 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.7 | 8.7 | -178.1 | -58.1 | 0 | 0 | 0 | 0 | 113.2 | D169 F173 D205 | D169-V171 PolarHBondContact O-N 3.17Å; V171-F173 VanDerWaalsContact C-N 3.28Å; V171-F173 HydrophobicContact CG2-CB 4.01Å; V171-F173 HydrophobicContact CG2-CD1 3.36Å; V171-F173 HydrophobicContact CG2-CE1 4.18Å; V171-F173 HydrophobicContact CG2-CG 3.92Å; V171-F173 PolarHBondContact O-N 2.82Å; V171-D205 WeakPolarHBondContact O-CB 3.4Å |
| 172 | G | 95.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.158 | C | C | . | . | S | Bend | trans | 60.9 | 28.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | D169 H203 L206 | D169-G172 PolarHBondContact O-N 3.43Å; D169-G172 WeakPolarHBondContact OD2-CA 3.45Å; G172-H203 WeakPolarHBondContact CA-O 3.28Å; G172-L206 WeakPolarHBondContact O-CB 3.28Å; G172-L206 WeakPolarHBondContact O-CG 3.37Å; G172-L206 PolarHBondContact O-N 3.37Å |
| 173 | F | 92.8 | Very high | 97.6 | Very high | 82 Ų | 82 | 30.5 Ų | 30.5 | 36% | 0.36 | 16% | 0.158 | S | C | . | . | trans | -107.6 | -11.8 | -167.5 | 93.5 | -66.1 | 0 | 0 | 0 | 115 | R144 D169 V171 L206 | R144-F173 HydrophobicContact CG-CD1 4.19Å; R144-F173 HydrophobicContact CG-CE1 3.22Å; R144-F173 HydrophobicContact CG-CE2 4.46Å; R144-F173 HydrophobicContact CG-CZ 3.4Å; R144-F173 VanDerWaalsContact CG-CZ 3.4Å; D169-F173 PolarHBondContact OD1-N 2.92Å; D169-F173 PolarHBondContact OD2-N 2.89Å; D169-F173 VanDerWaalsContact OD2-N 3.12Å; V171-F173 VanDerWaalsContact C-N 3.28Å; V171-F173 HydrophobicContact CG2-CB 4.01Å; V171-F173 HydrophobicContact CG2-CD1 3.36Å; V171-F173 HydrophobicContact CG2-CE1 4.18Å; V171-F173 HydrophobicContact CG2-CG 3.92Å; V171-F173 PolarHBondContact O-N 2.82Å; F173-L206 HydrophobicContact CB-CD1 4.19Å; F173-L206 WeakPolarHBondContact O-CD1 3.27Å | ||
| 174 | T | 94.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.171 | C | C | . | . | trans | -78.4 | 166.9 | -177.1 | -164.8 | 0 | 0 | 0 | 0 | 111.7 | T143 D169 E178 Y179 M208 N212 | T143-T174 HydrophobicContact CG2-CG2 4.09Å; D169-T174 HydrophobicContact CB-CG2 4.18Å; D169-T174 WeakPolarHBondContact OD2-CG2 3.27Å; D169-T174 PolarHBondContact OD2-N 3.29Å; T174-E178 PolarHBondContact OG1-OE2 2.92Å; T174-Y179 HydrophobicContact CG2-CD2 3.73Å; T174-Y179 HydrophobicContact CG2-CG 3.89Å; T174-M208 WeakPolarHBondContact O-CE 3.42Å; T174-N212 VanDerWaalsContact CG2-ND2 3.31Å; T174-N212 WeakPolarHBondContact CG2-ND2 3.48Å; T174-N212 PolarHBondContact O-ND2 2.92Å | ||
| 175 | T | 97.6 | Very high | 97.6 | Very high | 65 Ų | 65 | 36.3 Ų | 36.3 | 40% | 0.399 | 18% | 0.18 | S | C | . | . | trans | -104 | 157 | 177 | 63.7 | 0 | 0 | 0 | 0 | 111.9 | E177 E178 Y179 M208 | T175-E177 VanDerWaalsContact C-N 3.31Å; T175-E177 PolarHBondContact O-N 3.41Å; T175-E178 PolarHBondContact O-N 2.88Å; T175-E178 VanDerWaalsContact O-N 3.17Å; T175-E178 WeakPolarHBondContact OG1-CB 3.35Å; T175-Y179 WeakPolarHBondContact O-CB 3.18Å; T175-Y179 PolarHBondContact O-N 3.13Å; T175-M208 HydrophobicContact CG2-CE 4.34Å | ||
| 176 | P | 98.3 | Very high | 97.6 | Very high | 44 Ų | 44 | 36.3 Ų | 36.3 | 29% | 0.286 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -59 | -38.8 | -174.4 | -28.5 | 35.1 | 0 | 0 | 0 | 114.2 | G180 A211 N212 A215 | P176-G180 PolarHBondContact O-N 2.85Å; P176-A211 HydrophobicContact CB-CB 4.49Å; P176-A211 HydrophobicContact CG-CB 3.69Å; P176-N212 VanDerWaalsContact CA-OD1 3.22Å; P176-N212 WeakPolarHBondContact CA-OD1 3.23Å; P176-N212 WeakPolarHBondContact CD-OD1 3.46Å; P176-N212 WeakPolarHBondContact CG-OD1 3.38Å; P176-A215 HydrophobicContact CB-CB 3.97Å; P176-A215 WeakPolarHBondContact O-CB 3.46Å |
| 177 | E | 98.1 | Very high | 97.6 | Very high | 151 Ų | 151 | 39.1 Ų | 39.1 | 71% | 0.706 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -68 | -45.4 | 178.1 | -176.8 | 174.4 | -174.7 | 0 | 0 | 111.6 | T175 N181 | T175-E177 VanDerWaalsContact C-N 3.31Å; T175-E177 PolarHBondContact O-N 3.41Å; E177-N181 WeakPolarHBondContact O-CB 3.43Å; E177-N181 PolarHBondContact O-N 3.04Å; E177-N181 PolarHBondContact O-ND2 2.93Å; E177-N181 VanDerWaalsContact O-ND2 3.11Å |
| 178 | E | 97.8 | Very high | 97.5 | Very high | 87 Ų | 87 | 45.3 Ų | 45.3 | 41% | 0.407 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -60.7 | -48.3 | 177.5 | -177.1 | 179.3 | -154.5 | 0 | 0 | 111.2 | T174 T175 N181 I182 | T174-E178 PolarHBondContact OG1-OE2 2.92Å; T175-E178 PolarHBondContact O-N 2.88Å; T175-E178 VanDerWaalsContact O-N 3.17Å; T175-E178 WeakPolarHBondContact OG1-CB 3.35Å; E178-N181 WeakPolarHBondContact O-CB 3.46Å; E178-N181 PolarHBondContact O-N 2.8Å; E178-I182 WeakPolarHBondContact O-CG1 3.45Å; E178-I182 PolarHBondContact O-N 3.46Å |
| 179 | Y | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.7 | -42.6 | -179.5 | -163.7 | -118.2 | 0 | 0 | 0 | 112.6 | T143 I167 D169 T174 T175 N181 I182 F183 P200 H201 C202 N212 A216 | T143-Y179 HydrophobicContact CG2-CD2 3.63Å; T143-Y179 HydrophobicContact CG2-CE2 3.63Å; I167-Y179 HydrophobicContact CG2-CE2 4.33Å; I167-Y179 PolarHBondContact O-OH 3.47Å; D169-Y179 HydrophobicContact CB-CE2 4.06Å; T174-Y179 HydrophobicContact CG2-CD2 3.73Å; T174-Y179 HydrophobicContact CG2-CG 3.89Å; T175-Y179 WeakPolarHBondContact O-CB 3.18Å; T175-Y179 PolarHBondContact O-N 3.13Å; Y179-N181 VanDerWaalsContact C-N 3.27Å; Y179-N181 PolarHBondContact O-N 2.95Å; Y179-I182 WeakPolarHBondContact O-CB 3.49Å; Y179-I182 PolarHBondContact O-N 3.01Å; Y179-I182 VanDerWaalsContact O-N 3.16Å; Y179-F183 HydrophobicContact CD1-CD2 4.27Å; Y179-F183 HydrophobicContact CD1-CE2 4.12Å; Y179-F183 HydrophobicContact CD2-CE2 4.44Å; Y179-F183 HydrophobicContact CE1-CD2 4.15Å; Y179-F183 AromaticContact CE1-CE2 3.56Å; Y179-F183 HydrophobicContact CE1-CE2 3.56Å; Y179-F183 HydrophobicContact CE1-CZ 4.4Å; Y179-F183 AromaticContact CE2-CE2 3.89Å; Y179-F183 HydrophobicContact CE2-CE2 3.89Å; Y179-F183 AromaticContact CZ-CE2 3.44Å; Y179-F183 VanDerWaalsContact CZ-CE2 3.44Å; Y179-F183 WeakPolarHBondContact O-CD2 3.42Å; Y179-F183 PolarHBondContact O-N 2.85Å; Y179-F183 VanDerWaalsContact O-N 3.13Å; Y179-P200 HydrophobicContact CE1-CB 3.73Å; Y179-P200 VanDerWaalsContact OH-CA 3.31Å; Y179-P200 WeakPolarHBondContact OH-CA 3.35Å; Y179-P200 WeakPolarHBondContact OH-CB 3.5Å; Y179-H201 PolarHBondContact OH-N 3.11Å; Y179-C202 WeakPolarHBondContact CE1-SG 3.34Å; Y179-C202 PolarHBondContact OH-SG 2.88Å; Y179-N212 HydrophobicContact CD1-CB 3.8Å; Y179-N212 VanDerWaalsContact CD1-O 3.28Å; Y179-N212 WeakPolarHBondContact CD1-O 3.37Å; Y179-N212 HydrophobicContact CE1-CB 4.28Å; Y179-N212 HydrophobicContact CG-CB 4.28Å; Y179-A216 HydrophobicContact CD1-CB 3.93Å; Y179-A216 HydrophobicContact CE1-CB 3.76Å |
| 180 | G | 98.5 | Very high | 97.5 | Very high | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.01 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -57.8 | -40.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | P176 F183 K184 N219 | P176-G180 PolarHBondContact O-N 2.85Å; G180-F183 PolarHBondContact O-N 2.71Å; G180-K184 WeakPolarHBondContact O-CB 3.47Å; G180-K184 PolarHBondContact O-N 2.87Å; G180-N219 VanDerWaalsContact CA-ND2 3.32Å; G180-N219 WeakPolarHBondContact CA-ND2 3.34Å; G180-N219 VanDerWaalsContact O-CB 3.23Å; G180-N219 WeakPolarHBondContact O-CB 3.42Å |
| 181 | N | 98.4 | Very high | 97.6 | Very high | 84 Ų | 84 | 55.9 Ų | 55.9 | 45% | 0.449 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -66.2 | -37 | 176.2 | -72.8 | -27.9 | 0 | 0 | 0 | 112.6 | E177 E178 Y179 K184 Y185 | E177-N181 WeakPolarHBondContact O-CB 3.43Å; E177-N181 PolarHBondContact O-N 3.04Å; E177-N181 PolarHBondContact O-ND2 2.93Å; E177-N181 VanDerWaalsContact O-ND2 3.11Å; E178-N181 WeakPolarHBondContact O-CB 3.46Å; E178-N181 PolarHBondContact O-N 2.8Å; Y179-N181 VanDerWaalsContact C-N 3.27Å; Y179-N181 PolarHBondContact O-N 2.95Å; N181-K184 PolarHBondContact O-N 3.48Å; N181-Y185 VanDerWaalsContact O-CB 3.23Å; N181-Y185 WeakPolarHBondContact O-CB 3.19Å; N181-Y185 PolarHBondContact O-N 2.93Å |
| 182 | I | 98.6 | Very high | 97.7 | Very high | 15 Ų | 15 | 56.7 Ų | 56.7 | 8% | 0.077 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59.3 | -50.7 | 173.3 | -67.3 | 168.1 | 0 | 0 | 0 | 110 | T143 L147 L150 I167 E178 Y179 K184 Y185 L186 | T143-I182 HydrophobicContact CG2-CD1 4.35Å; L147-I182 HydrophobicContact CD1-CG1 4.34Å; L147-I182 HydrophobicContact CD1-CG2 4.5Å; L150-I182 HydrophobicContact CD2-CG2 3.96Å; I167-I182 HydrophobicContact CG2-CG2 3.97Å; E178-I182 WeakPolarHBondContact O-CG1 3.45Å; E178-I182 PolarHBondContact O-N 3.46Å; Y179-I182 WeakPolarHBondContact O-CB 3.49Å; Y179-I182 PolarHBondContact O-N 3.01Å; Y179-I182 VanDerWaalsContact O-N 3.16Å; I182-K184 PolarHBondContact O-N 2.9Å; I182-Y185 PolarHBondContact O-N 3.4Å; I182-L186 HydrophobicContact CG2-CD1 3.77Å; I182-L186 HydrophobicContact CG2-CG 4.34Å; I182-L186 VanDerWaalsContact O-CG 3.3Å; I182-L186 WeakPolarHBondContact O-CG 3.48Å; I182-L186 PolarHBondContact O-N 3.34Å |
| 183 | F | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -58.7 | -49.4 | 178.5 | -89.8 | -96.7 | 0 | 0 | 0 | 112.1 | I167 Y179 G180 Y185 L186 I187 F198 S199 P200 A216 N219 A221 | I167-F183 HydrophobicContact CB-CE2 3.83Å; I167-F183 HydrophobicContact CB-CZ 3.7Å; I167-F183 HydrophobicContact CG1-CE2 4.44Å; I167-F183 HydrophobicContact CG1-CZ 4.11Å; I167-F183 HydrophobicContact CG2-CE2 4.06Å; I167-F183 HydrophobicContact CG2-CZ 4.45Å; Y179-F183 HydrophobicContact CD1-CD2 4.27Å; Y179-F183 HydrophobicContact CD1-CE2 4.12Å; Y179-F183 HydrophobicContact CD2-CE2 4.44Å; Y179-F183 HydrophobicContact CE1-CD2 4.15Å; Y179-F183 AromaticContact CE1-CE2 3.56Å; Y179-F183 HydrophobicContact CE1-CE2 3.56Å; Y179-F183 HydrophobicContact CE1-CZ 4.4Å; Y179-F183 AromaticContact CE2-CE2 3.89Å; Y179-F183 HydrophobicContact CE2-CE2 3.89Å; Y179-F183 AromaticContact CZ-CE2 3.44Å; Y179-F183 VanDerWaalsContact CZ-CE2 3.44Å; Y179-F183 WeakPolarHBondContact O-CD2 3.42Å; Y179-F183 PolarHBondContact O-N 2.85Å; Y179-F183 VanDerWaalsContact O-N 3.13Å; G180-F183 PolarHBondContact O-N 2.71Å; F183-Y185 VanDerWaalsContact C-N 3.34Å; F183-Y185 PolarHBondContact O-N 2.68Å; F183-L186 PolarHBondContact O-N 2.89Å; F183-I187 HydrophobicContact CD1-CD1 4.48Å; F183-I187 WeakPolarHBondContact O-CB 3.29Å; F183-I187 WeakPolarHBondContact O-CD1 3.26Å; F183-I187 VanDerWaalsContact O-CG1 3.24Å; F183-I187 WeakPolarHBondContact O-CG1 3.49Å; F183-I187 PolarHBondContact O-N 3.03Å; F183-F198 HydrophobicContact CD1-CB 4.02Å; F183-F198 HydrophobicContact CE1-CB 3.87Å; F183-S199 WeakPolarHBondContact CZ-O 3.19Å; F183-P200 HydrophobicContact CE1-CB 4.45Å; F183-P200 HydrophobicContact CE2-CB 4.15Å; F183-P200 HydrophobicContact CZ-CB 3.71Å; F183-P200 HydrophobicContact CZ-CG 4.32Å; F183-A216 HydrophobicContact CB-CB 4.48Å; F183-A216 HydrophobicContact CD1-CB 3.97Å; F183-A216 HydrophobicContact CD2-CB 3.47Å; F183-A216 VanDerWaalsContact CD2-CB 3.47Å; F183-A216 HydrophobicContact CE1-CB 4.05Å; F183-A216 HydrophobicContact CE2-CB 3.6Å; F183-A216 HydrophobicContact CG-CB 3.68Å; F183-A216 HydrophobicContact CZ-CB 3.89Å; F183-N219 HydrophobicContact CB-CB 4.19Å; F183-A221 HydrophobicContact CD1-CB 3.61Å; F183-A221 HydrophobicContact CE1-CB 3.57Å |
| 184 | K | 98.5 | Very high | 97.9 | Very high | 92 Ų | 92 | 63.8 Ų | 63.8 | 40% | 0.4 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -56.4 | -49.4 | 177.8 | -176.3 | 177.1 | 176.8 | -177.8 | 0 | 111.4 | G180 N181 I182 L186 I187 E188 N219 | G180-K184 WeakPolarHBondContact O-CB 3.47Å; G180-K184 PolarHBondContact O-N 2.87Å; N181-K184 PolarHBondContact O-N 3.48Å; I182-K184 PolarHBondContact O-N 2.9Å; K184-L186 PolarHBondContact O-N 3.4Å; K184-I187 PolarHBondContact O-N 3.12Å; K184-E188 WeakPolarHBondContact CE-OE1 3.34Å; K184-E188 HydrophobicContact CG-CG 4.41Å; K184-E188 WeakPolarHBondContact O-CB 3.38Å; K184-E188 VanDerWaalsContact O-CG 3.3Å; K184-E188 WeakPolarHBondContact O-CG 3.09Å; K184-E188 PolarHBondContact O-N 2.72Å; K184-N219 HydrophobicContact CB-CB 4.1Å |
| 185 | Y | 98.7 | Very high | 97.9 | Very high | 76 Ų | 76 | 71.5 Ų | 71.5 | 30% | 0.298 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -60.7 | -47 | -179 | -179.9 | -97.2 | 0 | 0 | 0 | 111.8 | L147 L151 N181 I182 F183 E188 N189 | L147-Y185 HydrophobicContact CD1-CD1 3.53Å; L147-Y185 HydrophobicContact CD1-CE1 4.04Å; L147-Y185 HydrophobicContact CD1-CG 4.2Å; L147-Y185 HydrophobicContact CD2-CD1 3.83Å; L147-Y185 HydrophobicContact CD2-CD2 4.24Å; L147-Y185 HydrophobicContact CD2-CE1 4.07Å; L147-Y185 HydrophobicContact CD2-CE2 4.48Å; L147-Y185 HydrophobicContact CD2-CG 3.9Å; L147-Y185 HydrophobicContact CG-CD1 3.56Å; L147-Y185 HydrophobicContact CG-CE1 3.62Å; L147-Y185 HydrophobicContact CG-CG 4.17Å; L151-Y185 HydrophobicContact CB-CE1 4.05Å; L151-Y185 HydrophobicContact CD2-CE1 3.95Å; L151-Y185 HydrophobicContact CG-CE1 4.49Å; N181-Y185 VanDerWaalsContact O-CB 3.23Å; N181-Y185 WeakPolarHBondContact O-CB 3.19Å; N181-Y185 PolarHBondContact O-N 2.93Å; I182-Y185 PolarHBondContact O-N 3.4Å; F183-Y185 VanDerWaalsContact C-N 3.34Å; F183-Y185 PolarHBondContact O-N 2.68Å; Y185-E188 PolarHBondContact O-N 2.91Å; Y185-N189 WeakPolarHBondContact O-CB 3.46Å; Y185-N189 PolarHBondContact O-N 3.33Å; Y185-N189 VanDerWaalsContact O-N 3.09Å; Y185-N189 PolarHBondContact O-ND2 2.76Å |
| 186 | L | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -66.6 | -42.9 | -178.8 | -66.6 | 174.2 | 0 | 0 | 0 | 112.1 | L150 L151 V154 I167 I182 F183 K184 N189 T190 F198 | L150-L186 HydrophobicContact CD2-CD1 4Å; L150-L186 HydrophobicContact CD2-CD2 4.49Å; L150-L186 HydrophobicContact CG-CD1 4.26Å; L150-L186 HydrophobicContact CG-CD2 4.18Å; L151-L186 HydrophobicContact CB-CD2 4.17Å; L151-L186 HydrophobicContact CD1-CD2 4.28Å; V154-L186 HydrophobicContact CG2-CD1 4.33Å; V154-L186 HydrophobicContact CG2-CD2 4.21Å; I167-L186 HydrophobicContact CD1-CD1 3.47Å; I167-L186 VanDerWaalsContact CD1-CD1 3.47Å; I167-L186 HydrophobicContact CG1-CD1 3.8Å; I182-L186 HydrophobicContact CG2-CD1 3.77Å; I182-L186 HydrophobicContact CG2-CG 4.34Å; I182-L186 VanDerWaalsContact O-CG 3.3Å; I182-L186 WeakPolarHBondContact O-CG 3.48Å; I182-L186 PolarHBondContact O-N 3.34Å; F183-L186 PolarHBondContact O-N 2.89Å; K184-L186 PolarHBondContact O-N 3.4Å; L186-N189 PolarHBondContact O-N 2.92Å; L186-T190 WeakPolarHBondContact O-CB 3.46Å; L186-T190 PolarHBondContact O-N 3.5Å; L186-T190 PolarHBondContact O-OG1 3.25Å; L186-F198 HydrophobicContact CB-CD1 4.47Å; L186-F198 HydrophobicContact CB-CE1 3.73Å; L186-F198 HydrophobicContact CB-CZ 4.24Å; L186-F198 HydrophobicContact CD1-CE1 4.47Å |
| 187 | I | 98.2 | Very high | 98 | Very high | 61 Ų | 61 | 69 Ų | 69 | 31% | 0.313 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -63 | -42.2 | 177.4 | -70.1 | 165.3 | 0 | 0 | 0 | 111.2 | F183 K184 F198 N219 | F183-I187 HydrophobicContact CD1-CD1 4.48Å; F183-I187 WeakPolarHBondContact O-CB 3.29Å; F183-I187 WeakPolarHBondContact O-CD1 3.26Å; F183-I187 VanDerWaalsContact O-CG1 3.24Å; F183-I187 WeakPolarHBondContact O-CG1 3.49Å; F183-I187 PolarHBondContact O-N 3.03Å; K184-I187 PolarHBondContact O-N 3.12Å; I187-F198 HydrophobicContact CB-CE2 4.49Å; I187-F198 HydrophobicContact CD1-CB 4.28Å; I187-F198 HydrophobicContact CD1-CD2 4.24Å; I187-F198 HydrophobicContact CD1-CG 4.28Å; I187-F198 HydrophobicContact CG1-CB 4.31Å; I187-F198 HydrophobicContact CG1-CD1 4.31Å; I187-F198 HydrophobicContact CG1-CD2 3.45Å; I187-F198 VanDerWaalsContact CG1-CD2 3.45Å; I187-F198 HydrophobicContact CG1-CE2 3.72Å; I187-F198 HydrophobicContact CG1-CG 3.77Å; I187-F198 HydrophobicContact CG1-CZ 4.26Å; I187-N219 WeakPolarHBondContact CD1-O 3.11Å |
| 188 | E | 98.1 | Very high | 98 | Very high | 130 Ų | 130 | 62.3 Ų | 62.3 | 61% | 0.607 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -72.5 | -27.1 | -179.1 | -73.5 | 176.4 | 172.2 | 0 | 0 | 113.5 | K184 Y185 | K184-E188 WeakPolarHBondContact CE-OE1 3.34Å; K184-E188 HydrophobicContact CG-CG 4.41Å; K184-E188 WeakPolarHBondContact O-CB 3.38Å; K184-E188 VanDerWaalsContact O-CG 3.3Å; K184-E188 WeakPolarHBondContact O-CG 3.09Å; K184-E188 PolarHBondContact O-N 2.72Å; Y185-E188 PolarHBondContact O-N 2.91Å |
| 189 | N | 98.5 | Very high | 98 | Very high | 68 Ų | 68 | 58.1 Ų | 58.1 | 36% | 0.364 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -110 | -16.4 | -170.4 | -68.8 | -87.1 | 0 | 0 | 0 | 114.6 | L151 Y185 L186 K191 | L151-N189 HydrophobicContact CD1-CB 3.86Å; L151-N189 HydrophobicContact CD2-CB 3.74Å; L151-N189 HydrophobicContact CG-CB 4.48Å; Y185-N189 WeakPolarHBondContact O-CB 3.46Å; Y185-N189 PolarHBondContact O-N 3.33Å; Y185-N189 VanDerWaalsContact O-N 3.09Å; Y185-N189 PolarHBondContact O-ND2 2.76Å; L186-N189 PolarHBondContact O-N 2.92Å; N189-K191 PolarHBondContact O-N 3.38Å |
| 190 | T | 98.4 | Very high | 98 | Very high | 19 Ų | 19 | 58.1 Ų | 58.1 | 12% | 0.117 | 28% | 0.281 | C | S | . | . | trans | -75.6 | 124.1 | 176.4 | -61.7 | 0 | 0 | 0 | 0 | 109.6 | V154 V158 L186 F198 | V154-T190 HydrophobicContact CG1-CG2 4.04Å; V154-T190 WeakPolarHBondContact CG1-OG1 3.5Å; V158-T190 HydrophobicContact CB-CG2 4.35Å; V158-T190 HydrophobicContact CG1-CG2 4.42Å; V158-T190 HydrophobicContact CG2-CG2 3.84Å; L186-T190 WeakPolarHBondContact O-CB 3.46Å; L186-T190 PolarHBondContact O-N 3.5Å; L186-T190 PolarHBondContact O-OG1 3.25Å; T190-F198 HydrophobicContact CG2-CZ 4.44Å | ||
| 191 | K | 98.1 | Very high | 98 | Very high | 164 Ų | 164 | 58.4 Ų | 58.4 | 71% | 0.713 | 28% | 0.282 | S | S | * | . | trans | -95.4 | 133.4 | 178.8 | -63 | 178.7 | -176.6 | 174.5 | 0 | 109.3 | Q155 N189 | Q155-K191 PolarHBondContact NE2-O 2.89Å; N189-K191 PolarHBondContact O-N 3.38Å | ||
| 192 | S | 97.5 | Very high | 98 | Very high | 52 Ų | 52 | 54.4 Ų | 54.4 | 36% | 0.364 | 26% | 0.261 | S | S | . | . | trans | -148 | 148.9 | 179.7 | -177.3 | 0 | 0 | 0 | 0 | 110.4 | R194 I196 | S192-R194 VanDerWaalsContact C-N 3.3Å; S192-R194 VanDerWaalsContact CB-O 3.26Å; S192-R194 WeakPolarHBondContact CB-O 3.42Å; S192-R194 WeakPolarHBondContact OG-CG 3.4Å; S192-R194 PolarHBondContact OG-N 2.74Å; S192-R194 VanDerWaalsContact OG-N 3.13Å; S192-R194 PolarHBondContact OG-O 2.84Å; S192-I196 WeakPolarHBondContact OG-CG1 3.4Å | ||
| 193 | D | 95.4 | Very high | 98 | Very high | 145 Ų | 145 | 54.2 Ų | 54.2 | 78% | 0.775 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -87.1 | -3.6 | 170.9 | 63.7 | -8.9 | 0 | 0 | 0 | 112.9 | ||
| 194 | R | 95.8 | Very high | 98 | Very high | 85 Ų | 85 | 56.6 Ų | 56.6 | 32% | 0.321 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -139.6 | 166.9 | -178.8 | 63.1 | -170.7 | 176.9 | -84 | -1.9 | 111.5 | V158 G161 A162 S192 I196 | V158-R194 PolarHBondContact O-NH2 2.81Å; G161-R194 VanDerWaalsContact C-NH2 3.26Å; A162-R194 PolarHBondContact O-NH2 2.74Å; S192-R194 VanDerWaalsContact C-N 3.3Å; S192-R194 VanDerWaalsContact CB-O 3.26Å; S192-R194 WeakPolarHBondContact CB-O 3.42Å; S192-R194 WeakPolarHBondContact OG-CG 3.4Å; S192-R194 PolarHBondContact OG-N 2.74Å; S192-R194 VanDerWaalsContact OG-N 3.13Å; S192-R194 PolarHBondContact OG-O 2.84Å; R194-I196 HydrophobicContact CG-CD1 4.07Å; R194-I196 PolarHBondContact O-N 3.26Å |
| 195 | E | 96.2 | Very high | 97.9 | Very high | 163 Ų | 163 | 55 Ų | 55 | 76% | 0.762 | 27% | 0.268 | S | S | * | . | trans | -64.5 | 134 | 172.5 | -174.6 | 171.5 | -147 | 0 | 0 | 110.5 | I197 | E195-I197 HydrophobicContact CG-CG1 4.47Š| ||
| 196 | I | 98.2 | Very high | 97.9 | Very high | 26 Ų | 26 | 56.4 Ų | 56.4 | 13% | 0.133 | 28% | 0.28 | C | S | . | . | trans | -120.8 | 123.8 | 174.7 | -57.7 | -61.1 | 0 | 0 | 0 | 107.7 | V158 A162 I165 S192 R194 F198 | V158-I196 HydrophobicContact CG1-CD1 3.94Å; V158-I196 HydrophobicContact CG1-CG1 4.08Å; V158-I196 HydrophobicContact CG2-CD1 4.07Å; V158-I196 HydrophobicContact CG2-CG1 4.11Å; V158-I196 HydrophobicContact CG2-CG2 4.19Å; A162-I196 WeakPolarHBondContact O-CD1 3.27Å; I165-I196 HydrophobicContact CB-CG2 4.34Å; I165-I196 HydrophobicContact CG1-CG2 3.59Å; S192-I196 WeakPolarHBondContact OG-CG1 3.4Å; R194-I196 HydrophobicContact CG-CD1 4.07Å; R194-I196 PolarHBondContact O-N 3.26Å; I196-F198 HydrophobicContact CB-CE2 4.32Å; I196-F198 HydrophobicContact CG2-CD2 4.2Å; I196-F198 HydrophobicContact CG2-CE2 3.81Å; I196-F198 HydrophobicContact CG2-CZ 4.32Å | ||
| 197 | I | 98.4 | Very high | 97.8 | Very high | 31 Ų | 31 | 59.1 Ų | 59.1 | 16% | 0.159 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 120.7 | 179.4 | -65.5 | 169.4 | 0 | 0 | 0 | 109.1 | T163 Y164 I165 E195 R223 | T163-I197 PolarHBondContact O-N 3.02Å; T163-I197 VanDerWaalsContact O-N 3.14Å; Y164-I197 VanDerWaalsContact CA-O 3.31Å; Y164-I197 WeakPolarHBondContact CA-O 3.38Å; Y164-I197 HydrophobicContact CD1-CB 3.5Å; Y164-I197 VanDerWaalsContact CD1-CB 3.5Å; Y164-I197 HydrophobicContact CD1-CD1 4.42Å; Y164-I197 HydrophobicContact CD1-CG2 3.6Å; Y164-I197 HydrophobicContact CE1-CB 3.47Å; Y164-I197 VanDerWaalsContact CE1-CB 3.47Å; Y164-I197 HydrophobicContact CE1-CD1 3.52Å; Y164-I197 HydrophobicContact CE1-CG1 4.06Å; Y164-I197 HydrophobicContact CE1-CG2 3.52Å; Y164-I197 HydrophobicContact CG-CB 4.44Å; I165-I197 PolarHBondContact N-O 2.83Å; E195-I197 HydrophobicContact CG-CG1 4.47Å; I197-R223 HydrophobicContact CG2-CB 3.91Å |
| 198 | F | 98.7 | Very high | 97.7 | Very high | 9 Ų | 9 | 58.4 Ų | 58.4 | 4% | 0.039 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 139.8 | 176.3 | -73.7 | -100.3 | 0 | 0 | 0 | 111.3 | V154 I165 I167 F183 L186 I187 T190 I196 A221 G222 R223 | V154-F198 HydrophobicContact CG1-CE1 4.13Å; V154-F198 HydrophobicContact CG1-CZ 4.22Å; I165-F198 HydrophobicContact CB-CD1 3.95Å; I165-F198 HydrophobicContact CB-CE1 3.95Å; I165-F198 HydrophobicContact CB-CG 4.49Å; I165-F198 HydrophobicContact CB-CZ 4.49Å; I165-F198 HydrophobicContact CG2-CD1 3.88Å; I165-F198 HydrophobicContact CG2-CE1 3.73Å; I165-F198 CarbonylContact O-C 3.58Å; I165-F198 VanDerWaalsContact O-CA 3.27Å; I165-F198 WeakPolarHBondContact O-CA 3.4Å; I167-F198 HydrophobicContact CG1-CD1 4.35Å; F183-F198 HydrophobicContact CD1-CB 4.02Å; F183-F198 HydrophobicContact CE1-CB 3.87Å; L186-F198 HydrophobicContact CB-CD1 4.47Å; L186-F198 HydrophobicContact CB-CE1 3.73Å; L186-F198 HydrophobicContact CB-CZ 4.24Å; L186-F198 HydrophobicContact CD1-CE1 4.47Å; I187-F198 HydrophobicContact CB-CE2 4.49Å; I187-F198 HydrophobicContact CD1-CB 4.28Å; I187-F198 HydrophobicContact CD1-CD2 4.24Å; I187-F198 HydrophobicContact CD1-CG 4.28Å; I187-F198 HydrophobicContact CG1-CB 4.31Å; I187-F198 HydrophobicContact CG1-CD1 4.31Å; I187-F198 HydrophobicContact CG1-CD2 3.45Å; I187-F198 VanDerWaalsContact CG1-CD2 3.45Å; I187-F198 HydrophobicContact CG1-CE2 3.72Å; I187-F198 HydrophobicContact CG1-CG 3.77Å; I187-F198 HydrophobicContact CG1-CZ 4.26Å; T190-F198 HydrophobicContact CG2-CZ 4.44Å; I196-F198 HydrophobicContact CB-CE2 4.32Å; I196-F198 HydrophobicContact CG2-CD2 4.2Å; I196-F198 HydrophobicContact CG2-CE2 3.81Å; I196-F198 HydrophobicContact CG2-CZ 4.32Å; F198-A221 CarbonylContact O-C 3.5Å; F198-A221 WeakPolarHBondContact O-CA 3.16Å; F198-G222 PolarHBondContact O-N 3.44Å; F198-R223 PolarHBondContact O-N 3.14Å; F198-R223 VanDerWaalsContact O-N 3.14Å |
| 199 | S | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 121.8 | -175.4 | -170.6 | 0 | 0 | 0 | 0 | 110.5 | I165 N166 I167 F183 R223 E225 | I165-S199 PolarHBondContact O-N 3.48Å; N166-S199 CarbonylContact C-O 3.16Å; N166-S199 VanDerWaalsContact CA-O 3.27Å; N166-S199 WeakPolarHBondContact CA-O 3.15Å; N166-S199 PolarHBondContact OD1-O 3.01Å; I167-S199 PolarHBondContact N-O 2.89Å; F183-S199 WeakPolarHBondContact CZ-O 3.19Å; S199-R223 WeakPolarHBondContact OG-CG 3.41Å; S199-E225 WeakPolarHBondContact CB-OE1 3.44Å; S199-E225 WeakPolarHBondContact OG-CG 3.23Å; S199-E225 PolarHBondContact OG-OE1 3.15Å |
| 200 | P | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 140.7 | 163 | 27.6 | -39.5 | 0 | 0 | 0 | 112 | Y179 F183 T213 A216 A221 R223 V224 E225 | Y179-P200 HydrophobicContact CE1-CB 3.73Å; Y179-P200 VanDerWaalsContact OH-CA 3.31Å; Y179-P200 WeakPolarHBondContact OH-CA 3.35Å; Y179-P200 WeakPolarHBondContact OH-CB 3.5Å; F183-P200 HydrophobicContact CE1-CB 4.45Å; F183-P200 HydrophobicContact CE2-CB 4.15Å; F183-P200 HydrophobicContact CZ-CB 3.71Å; F183-P200 HydrophobicContact CZ-CG 4.32Å; P200-T213 HydrophobicContact CB-CG2 4.49Å; P200-T213 HydrophobicContact CG-CG2 3.99Å; P200-A216 HydrophobicContact CB-CB 3.76Å; P200-A216 HydrophobicContact CG-CB 3.86Å; P200-A221 VanDerWaalsContact CD-CB 3.46Å; P200-A221 HydrophobicContact CG-CB 4.23Å; P200-R223 WeakPolarHBondContact CD-O 3.2Å; P200-V224 HydrophobicContact CG-CB 4.49Å; P200-V224 HydrophobicContact CG-CG2 4.49Å; P200-E225 PolarHBondContact O-N 3.15Å |
| 201 | H | 98.7 | Very high | 97.7 | Very high | 7 Ų | 7 | 51.8 Ų | 51.8 | 3% | 0.032 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 93.7 | 171.4 | -176.5 | 113.2 | 0 | 0 | 0 | 107.8 | D13 N166 P168 D169 Y179 H203 E225 N237 | D13-H201 IonicContact OD2-CE1 3.61Å; D13-H201 IonicContact OD2-NE2 3.23Å; D13-H201 PolarHBondContact OD2-NE2 2.93Å; N166-H201 WeakPolarHBondContact OD1-CB 3.49Å; P168-H201 CarbonylContact C-O 3.56Å; P168-H201 WeakPolarHBondContact CA-O 3.21Å; P168-H201 HydrophobicContact CB-CB 4.15Å; D169-H201 PolarHBondContact N-O 3.27Å; Y179-H201 PolarHBondContact OH-N 3.11Å; H201-H203 AromaticContact CD2-NE2 3.97Å; H201-H203 AromaticContact NE2-NE2 3.66Å; H201-E225 HydrophobicContact CB-CB 3.94Å; H201-E225 IonicContact CE1-OE2 2.76Å; H201-E225 IonicContact CG-OE2 2.78Å; H201-E225 WeakPolarHBondContact ND1-CB 3.48Å; H201-E225 IonicContact ND1-OE2 3.61Å; H201-E225 PolarHBondContact ND1-OE2 2.96Å; H201-N237 PolarHBondContact NE2-OD1 2.93Å |
| 202 | C | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 128.2 | -174 | -60.1 | 0 | 0 | 0 | 0 | 111.4 | Y179 A209 N212 T213 N237 V238 | Y179-C202 WeakPolarHBondContact CE1-SG 3.34Å; Y179-C202 PolarHBondContact OH-SG 2.88Å; C202-A209 HydrophobicContact CB-CB 3.88Å; C202-N212 HydrophobicContact CB-CB 4.5Å; C202-T213 PolarHBondContact SG-OG1 3.35Å; C202-N237 CarbonylContact O-C 3.56Å; C202-V238 PolarHBondContact O-N 3.45Å |
| 203 | H | 98.4 | Very high | 97.8 | Very high | 10 Ų | 10 | 41.5 Ų | 41.5 | 5% | 0.046 | 23% | 0.228 | C | C | . | . | B | Isolated β-bridge | trans | -83.8 | 164.1 | 161.9 | -71.7 | -94.4 | 0 | 0 | 0 | 111.2 | D13 D169 T170 G172 H201 A209 G236 N237 | D13-H203 IonicContact OD1-CE1 3.49Å; D169-H203 PolarHBondContact O-N 2.86Å; T170-H203 PolarHBondContact O-CD2 3.18Å; G172-H203 WeakPolarHBondContact CA-O 3.28Å; H201-H203 AromaticContact CD2-NE2 3.97Å; H201-H203 AromaticContact NE2-NE2 3.66Å; H203-A209 WeakPolarHBondContact O-CB 3.29Å; H203-G236 VanDerWaalsContact CA-O 3.29Å; H203-G236 WeakPolarHBondContact CA-O 3.35Å; H203-G236 PolarHBondContact ND1-O 2.91Å; H203-N237 PolarHBondContact CE1-OD1 2.82Å |
| 204 | D | 97.9 | Very high | 98 | Very high | 50 Ų | 50 | 35.4 Ų | 35.4 | 27% | 0.267 | 20% | 0.195 | S | C | . | . | trans | -111.7 | 23.8 | -167.9 | -153.9 | 40.3 | 0 | 0 | 0 | 115.5 | L206 G207 M208 A209 A235 G236 | D204-L206 PolarHBondContact O-N 3.18Å; D204-G207 PolarHBondContact O-N 2.88Å; D204-G207 WeakPolarHBondContact OD1-CA 3.49Å; D204-M208 PolarHBondContact OD1-N 2.81Å; D204-A209 HydrophobicContact CB-CB 3.76Å; D204-A209 WeakPolarHBondContact OD1-CB 3.49Å; D204-A209 PolarHBondContact OD1-N 2.9Å; D204-A235 HydrophobicContact CB-CB 4.26Å; D204-A235 WeakPolarHBondContact O-CB 3.12Å; D204-G236 PolarHBondContact N-O 3.42Å | ||
| 205 | D | 97.1 | Very high | 98.1 | Very high | 60 Ų | 60 | 32 Ų | 32 | 32% | 0.321 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -30.6 | -176.2 | -63.8 | -107 | 0 | 0 | 0 | 114.4 | V171 R234 | V171-D205 WeakPolarHBondContact O-CB 3.4Å; D205-R234 WeakPolarHBondContact OD1-CD 3.46Å; D205-R234 IonicContact OD1-CZ 2.71Å; D205-R234 IonicContact OD1-NE 2.76Å; D205-R234 PolarHBondContact OD1-NE 3.48Å; D205-R234 IonicContact OD1-NH2 2.68Å; D205-R234 IonicContact OD2-CZ 2.85Å; D205-R234 IonicContact OD2-NE 3.24Å; D205-R234 PolarHBondContact OD2-NE 2.89Å; D205-R234 IonicContact OD2-NH2 3.12Å; D205-R234 PolarHBondContact OD2-NH2 3.38Å |
| 206 | L | 96.9 | Very high | 98.2 | Very high | 105 Ų | 105 | 24.2 Ų | 24.2 | 55% | 0.55 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | 11.1 | 174 | -60.7 | -173.5 | 0 | 0 | 0 | 114.4 | G172 F173 D204 M208 | G172-L206 WeakPolarHBondContact O-CB 3.28Å; G172-L206 WeakPolarHBondContact O-CG 3.37Å; G172-L206 PolarHBondContact O-N 3.37Å; F173-L206 HydrophobicContact CB-CD1 4.19Å; F173-L206 WeakPolarHBondContact O-CD1 3.27Å; D204-L206 PolarHBondContact O-N 3.18Å; L206-M208 VanDerWaalsContact C-N 3.3Å; L206-M208 HydrophobicContact CB-CE 3.63Å; L206-M208 HydrophobicContact CD1-CE 3.66Å; L206-M208 HydrophobicContact CG-CE 4.3Å; L206-M208 PolarHBondContact O-N 2.55Å |
| 207 | G | 96.8 | Very high | 98.2 | Very high | 57 Ų | 57 | 23.1 Ų | 23.1 | 59% | 0.588 | 14% | 0.144 | S | C | * | . | S | Bend | trans | 67.9 | 26.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | D204 | D204-G207 PolarHBondContact O-N 2.88Å; D204-G207 WeakPolarHBondContact OD1-CA 3.49Å |
| 208 | M | 97.4 | Very high | 98.2 | Very high | 46 Ų | 46 | 27.2 Ų | 27.2 | 23% | 0.227 | 16% | 0.16 | C | C | . | . | trans | -115.9 | 2.9 | -174.8 | -68.2 | -167.8 | -74.2 | 0 | 0 | 113.7 | T174 T175 D204 L206 T210 A211 N212 | T174-M208 WeakPolarHBondContact O-CE 3.42Å; T175-M208 HydrophobicContact CG2-CE 4.34Å; D204-M208 PolarHBondContact OD1-N 2.81Å; L206-M208 VanDerWaalsContact C-N 3.3Å; L206-M208 HydrophobicContact CB-CE 3.63Å; L206-M208 HydrophobicContact CD1-CE 3.66Å; L206-M208 HydrophobicContact CG-CE 4.3Å; L206-M208 PolarHBondContact O-N 2.55Å; M208-T210 VanDerWaalsContact C-N 3.34Å; M208-T210 PolarHBondContact O-N 3.21Å; M208-A211 PolarHBondContact O-N 2.69Å; M208-A211 VanDerWaalsContact O-N 3.07Å; M208-N212 WeakPolarHBondContact O-CB 3.4Å; M208-N212 VanDerWaalsContact O-CG 3.3Å; M208-N212 PolarHBondContact O-N 3.17Å | ||
| 209 | A | 98.5 | Very high | 98.1 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.008 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -57.1 | -45.5 | -171.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | C202 H203 D204 N212 T213 V238 | C202-A209 HydrophobicContact CB-CB 3.88Å; H203-A209 WeakPolarHBondContact O-CB 3.29Å; D204-A209 HydrophobicContact CB-CB 3.76Å; D204-A209 WeakPolarHBondContact OD1-CB 3.49Å; D204-A209 PolarHBondContact OD1-N 2.9Å; A209-N212 PolarHBondContact O-N 3.17Å; A209-T213 VanDerWaalsContact O-CB 3.3Å; A209-T213 WeakPolarHBondContact O-CB 3.32Å; A209-T213 PolarHBondContact O-N 3.19Å; A209-T213 PolarHBondContact O-OG1 3.08Å; A209-V238 HydrophobicContact CB-CB 3.86Å; A209-V238 HydrophobicContact CB-CG2 4.37Å |
| 210 | T | 98.6 | Very high | 98.1 | Very high | 31 Ų | 31 | 30.6 Ų | 30.6 | 19% | 0.19 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.6 | -44.4 | 176.9 | -61.4 | 0 | 0 | 0 | 0 | 111.7 | M208 L214 E242 I243 | M208-T210 VanDerWaalsContact C-N 3.34Å; M208-T210 PolarHBondContact O-N 3.21Å; T210-L214 HydrophobicContact CG2-CD1 4.05Å; T210-L214 WeakPolarHBondContact O-CB 3.41Å; T210-L214 VanDerWaalsContact O-CG 3.29Å; T210-L214 WeakPolarHBondContact O-CG 3.43Å; T210-L214 PolarHBondContact O-N 3.26Å; T210-E242 HydrophobicContact CG2-CB 4.07Å; T210-E242 PolarHBondContact OG1-OE2 2.76Å; T210-I243 HydrophobicContact CG2-CD1 3.89Å |
| 211 | A | 98.5 | Very high | 98 | Very high | 45 Ų | 45 | 30.6 Ų | 30.6 | 37% | 0.372 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -67.6 | -41.4 | 180 | 0 | 0 | 0 | 0 | 0 | 112.3 | P176 M208 A215 | P176-A211 HydrophobicContact CB-CB 4.49Å; P176-A211 HydrophobicContact CG-CB 3.69Å; M208-A211 PolarHBondContact O-N 2.69Å; M208-A211 VanDerWaalsContact O-N 3.07Å; A211-A215 WeakPolarHBondContact O-CB 3.49Å; A211-A215 PolarHBondContact O-N 2.83Å |
| 212 | N | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.1 | -48.4 | 176.4 | -70.5 | -9.1 | 0 | 0 | 0 | 110.4 | T174 P176 Y179 C202 M208 A209 L214 A215 A216 | T174-N212 VanDerWaalsContact CG2-ND2 3.31Å; T174-N212 WeakPolarHBondContact CG2-ND2 3.48Å; T174-N212 PolarHBondContact O-ND2 2.92Å; P176-N212 VanDerWaalsContact CA-OD1 3.22Å; P176-N212 WeakPolarHBondContact CA-OD1 3.23Å; P176-N212 WeakPolarHBondContact CD-OD1 3.46Å; P176-N212 WeakPolarHBondContact CG-OD1 3.38Å; Y179-N212 HydrophobicContact CD1-CB 3.8Å; Y179-N212 VanDerWaalsContact CD1-O 3.28Å; Y179-N212 WeakPolarHBondContact CD1-O 3.37Å; Y179-N212 HydrophobicContact CE1-CB 4.28Å; Y179-N212 HydrophobicContact CG-CB 4.28Å; C202-N212 HydrophobicContact CB-CB 4.5Å; M208-N212 WeakPolarHBondContact O-CB 3.4Å; M208-N212 VanDerWaalsContact O-CG 3.3Å; M208-N212 PolarHBondContact O-N 3.17Å; A209-N212 PolarHBondContact O-N 3.17Å; N212-L214 PolarHBondContact O-N 2.77Å; N212-A215 WeakPolarHBondContact O-CB 3.32Å; N212-A215 PolarHBondContact O-N 2.89Å; N212-A215 VanDerWaalsContact O-N 3.09Å; N212-A216 PolarHBondContact O-N 3.16Å |
| 213 | T | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -57.9 | -46.6 | 177.9 | -61.4 | 0 | 0 | 0 | 0 | 112.2 | P200 C202 A209 A215 A216 I217 V224 V238 I243 | P200-T213 HydrophobicContact CB-CG2 4.49Å; P200-T213 HydrophobicContact CG-CG2 3.99Å; C202-T213 PolarHBondContact SG-OG1 3.35Å; A209-T213 VanDerWaalsContact O-CB 3.3Å; A209-T213 WeakPolarHBondContact O-CB 3.32Å; A209-T213 PolarHBondContact O-N 3.19Å; A209-T213 PolarHBondContact O-OG1 3.08Å; T213-A215 VanDerWaalsContact C-N 3.31Å; T213-A215 PolarHBondContact O-N 3.26Å; T213-A216 WeakPolarHBondContact O-CB 3.41Å; T213-A216 PolarHBondContact O-N 3.39Å; T213-I217 HydrophobicContact CG2-CD1 4.2Å; T213-I217 WeakPolarHBondContact O-CG1 3.47Å; T213-I217 PolarHBondContact O-N 2.83Å; T213-V224 HydrophobicContact CG2-CB 4.25Å; T213-V224 HydrophobicContact CG2-CG2 3.34Å; T213-V238 HydrophobicContact CG2-CG2 4.41Å; T213-I243 HydrophobicContact CG2-CD1 3.59Å; T213-I243 HydrophobicContact CG2-CG1 3.94Å; T213-I243 HydrophobicContact CG2-CG2 4.41Å |
| 214 | L | 98.5 | Very high | 98 | Very high | 17 Ų | 17 | 30.4 Ų | 30.4 | 9% | 0.089 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65.2 | -34.3 | 176.9 | -70.2 | 169.9 | 0 | 0 | 0 | 112.5 | T210 N212 I217 K218 I243 A246 L247 Y254 | T210-L214 HydrophobicContact CG2-CD1 4.05Å; T210-L214 WeakPolarHBondContact O-CB 3.41Å; T210-L214 VanDerWaalsContact O-CG 3.29Å; T210-L214 WeakPolarHBondContact O-CG 3.43Å; T210-L214 PolarHBondContact O-N 3.26Å; N212-L214 PolarHBondContact O-N 2.77Å; L214-I217 HydrophobicContact CD2-CD1 4.49Å; L214-I217 PolarHBondContact O-N 2.65Å; L214-K218 WeakPolarHBondContact O-CB 3.45Å; L214-K218 PolarHBondContact O-N 3.32Å; L214-I243 HydrophobicContact CD2-CD1 4.11Å; L214-I243 HydrophobicContact CD2-CG2 4.45Å; L214-I243 HydrophobicContact CG-CD1 3.88Å; L214-A246 HydrophobicContact CD1-CB 4.02Å; L214-A246 HydrophobicContact CD2-CB 4.01Å; L214-L247 HydrophobicContact CD2-CD2 4.16Å; L214-Y254 HydrophobicContact CB-CE1 4Å; L214-Y254 HydrophobicContact CD2-CE1 4.23Å; L214-Y254 HydrophobicContact CD2-CE2 3.98Å |
| 215 | A | 98.5 | Very high | 98 | Very high | 14 Ų | 14 | 28 Ų | 28 | 12% | 0.116 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -67.3 | -37.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | P176 A211 N212 T213 K218 N219 | P176-A215 HydrophobicContact CB-CB 3.97Å; P176-A215 WeakPolarHBondContact O-CB 3.46Å; A211-A215 WeakPolarHBondContact O-CB 3.49Å; A211-A215 PolarHBondContact O-N 2.83Å; N212-A215 WeakPolarHBondContact O-CB 3.32Å; N212-A215 PolarHBondContact O-N 2.89Å; N212-A215 VanDerWaalsContact O-N 3.09Å; T213-A215 VanDerWaalsContact C-N 3.31Å; T213-A215 PolarHBondContact O-N 3.26Å; A215-K218 PolarHBondContact O-N 3.45Å; A215-N219 PolarHBondContact O-N 3.18Å; A215-N219 VanDerWaalsContact O-N 3.12Å; A215-N219 PolarHBondContact O-ND2 3.14Å |
| 216 | A | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.7 | -44.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y179 F183 P200 N212 T213 K218 N219 G220 A221 | Y179-A216 HydrophobicContact CD1-CB 3.93Å; Y179-A216 HydrophobicContact CE1-CB 3.76Å; F183-A216 HydrophobicContact CB-CB 4.48Å; F183-A216 HydrophobicContact CD1-CB 3.97Å; F183-A216 HydrophobicContact CD2-CB 3.47Å; F183-A216 VanDerWaalsContact CD2-CB 3.47Å; F183-A216 HydrophobicContact CE1-CB 4.05Å; F183-A216 HydrophobicContact CE2-CB 3.6Å; F183-A216 HydrophobicContact CG-CB 3.68Å; F183-A216 HydrophobicContact CZ-CB 3.89Å; P200-A216 HydrophobicContact CB-CB 3.76Å; P200-A216 HydrophobicContact CG-CB 3.86Å; N212-A216 PolarHBondContact O-N 3.16Å; T213-A216 WeakPolarHBondContact O-CB 3.41Å; T213-A216 PolarHBondContact O-N 3.39Å; A216-K218 VanDerWaalsContact C-N 3.35Å; A216-K218 PolarHBondContact O-N 2.66Å; A216-N219 CarbonylContact O-C 3.52Å; A216-N219 PolarHBondContact O-N 2.8Å; A216-G220 PolarHBondContact O-N 3.41Å; A216-G220 VanDerWaalsContact O-N 3.13Å; A216-A221 HydrophobicContact CB-CB 4.11Å; A216-A221 WeakPolarHBondContact O-CB 3.09Å; A216-A221 PolarHBondContact O-N 2.93Å |
| 217 | I | 98.2 | Very high | 98.2 | Very high | 2 Ų | 2 | 20.2 Ų | 20.2 | 1% | 0.01 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -59.4 | -46 | 175.3 | -67.5 | 167.4 | 0 | 0 | 0 | 110.6 | R2 V4 T213 L214 N219 G220 I243 L247 A256 | R2-I217 PolarHBondContact NH2-O 2.92Å; V4-I217 HydrophobicContact CG1-CD1 4.3Å; V4-I217 HydrophobicContact CG2-CG2 3.94Å; T213-I217 HydrophobicContact CG2-CD1 4.2Å; T213-I217 WeakPolarHBondContact O-CG1 3.47Å; T213-I217 PolarHBondContact O-N 2.83Å; L214-I217 HydrophobicContact CD2-CD1 4.49Å; L214-I217 PolarHBondContact O-N 2.65Å; I217-N219 PolarHBondContact O-N 2.94Å; I217-G220 PolarHBondContact O-N 2.61Å; I217-I243 HydrophobicContact CD1-CG2 3.85Å; I217-L247 HydrophobicContact CD1-CD1 4.26Å; I217-L247 HydrophobicContact CD1-CD2 4.21Å; I217-L247 HydrophobicContact CG2-CD2 4.01Å; I217-A256 HydrophobicContact CG2-CB 4.39Å |
| 218 | K | 97.4 | Very high | 98.3 | Very high | 117 Ų | 117 | 17.5 Ų | 17.5 | 51% | 0.509 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -58.4 | -31.3 | 176.3 | -175.8 | 179.2 | 174.8 | -174.5 | 0 | 112.6 | L214 A215 A216 Y253 Y254 | L214-K218 WeakPolarHBondContact O-CB 3.45Å; L214-K218 PolarHBondContact O-N 3.32Å; A215-K218 PolarHBondContact O-N 3.45Å; A216-K218 VanDerWaalsContact C-N 3.35Å; A216-K218 PolarHBondContact O-N 2.66Å; K218-Y253 HydrophobicContact CD-CE1 4.26Å; K218-Y253 PolarHBondContact NZ-OH 3.43Å; K218-Y254 HydrophobicContact CB-CD1 4.3Å; K218-Y254 HydrophobicContact CB-CE1 4.37Å |
| 219 | N | 97.8 | Very high | 98.3 | Very high | 48 Ų | 48 | 16.5 Ų | 16.5 | 26% | 0.257 | 10% | 0.102 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | 12.5 | 179.1 | -73.9 | -77.4 | 0 | 0 | 0 | 114 | G180 F183 K184 I187 A215 A216 I217 | G180-N219 VanDerWaalsContact CA-ND2 3.32Å; G180-N219 WeakPolarHBondContact CA-ND2 3.34Å; G180-N219 VanDerWaalsContact O-CB 3.23Å; G180-N219 WeakPolarHBondContact O-CB 3.42Å; F183-N219 HydrophobicContact CB-CB 4.19Å; K184-N219 HydrophobicContact CB-CB 4.1Å; I187-N219 WeakPolarHBondContact CD1-O 3.11Å; A215-N219 PolarHBondContact O-N 3.18Å; A215-N219 VanDerWaalsContact O-N 3.12Å; A215-N219 PolarHBondContact O-ND2 3.14Å; A216-N219 CarbonylContact O-C 3.52Å; A216-N219 PolarHBondContact O-N 2.8Å; I217-N219 PolarHBondContact O-N 2.94Å |
| 220 | G | 97.1 | Very high | 98.2 | Very high | 32 Ų | 32 | 17.1 Ų | 17.1 | 33% | 0.33 | 11% | 0.109 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 113.8 | 1.1 | 166.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | A216 I217 G222 | A216-G220 PolarHBondContact O-N 3.41Å; A216-G220 VanDerWaalsContact O-N 3.13Å; I217-G220 PolarHBondContact O-N 2.61Å; G220-G222 PolarHBondContact O-N 2.85Å |
| 221 | A | 98.1 | Very high | 98.1 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 10% | 0.102 | C | C | . | . | trans | -61.1 | 123.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | R2 F183 F198 P200 A216 | R2-A221 VanDerWaalsContact NH1-C 3.32Å; R2-A221 PolarHBondContact NH1-O 3.23Å; R2-A221 PolarHBondContact NH2-O 3.1Å; F183-A221 HydrophobicContact CD1-CB 3.61Å; F183-A221 HydrophobicContact CE1-CB 3.57Å; F198-A221 CarbonylContact O-C 3.5Å; F198-A221 WeakPolarHBondContact O-CA 3.16Å; P200-A221 VanDerWaalsContact CD-CB 3.46Å; P200-A221 HydrophobicContact CG-CB 4.23Å; A216-A221 HydrophobicContact CB-CB 4.11Å; A216-A221 WeakPolarHBondContact O-CB 3.09Å; A216-A221 PolarHBondContact O-N 2.93Å | ||
| 222 | G | 98 | Very high | 98 | Very high | 12 Ų | 12 | 14 Ų | 14 | 12% | 0.124 | 9% | 0.085 | C | C | . | . | trans | -92.2 | -13.2 | -173.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | R2 V4 E5 F198 G220 | R2-G222 VanDerWaalsContact NH1-CA 3.29Å; V4-G222 WeakPolarHBondContact CA-O 3.46Å; E5-G222 PolarHBondContact N-O 2.85Å; F198-G222 PolarHBondContact O-N 3.44Å; G220-G222 PolarHBondContact O-N 2.85Å | ||
| 223 | R | 98.5 | Very high | 97.7 | Very high | 2 Ų | 2 | 17.4 Ų | 17.4 | 1% | 0.008 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 166.1 | 173.7 | 177.5 | 175 | -77.1 | -168.8 | -7.1 | 108.8 | E5 L7 Q94 E136 Y164 I197 F198 S199 P200 | E5-R223 HydrophobicContact CB-CB 4.2Å; E5-R223 HydrophobicContact CB-CG 4.22Å; E5-R223 CarbonylContact O-C 3.52Å; E5-R223 WeakPolarHBondContact O-CA 3.45Å; E5-R223 IonicContact OE2-CZ 3.01Å; E5-R223 IonicContact OE2-NE 2.61Å; E5-R223 PolarHBondContact OE2-NE 3.43Å; E5-R223 VanDerWaalsContact OE2-NE 3.11Å; E5-R223 IonicContact OE2-NH2 3.98Å; E5-R223 PolarHBondContact OE2-NH2 3.12Å; L7-R223 HydrophobicContact CB-CG 4.17Å; Q94-R223 VanDerWaalsContact OE1-NH1 3.17Å; E136-R223 IonicContact OE2-CZ 3.01Å; E136-R223 IonicContact OE2-NH1 2.72Å; E136-R223 PolarHBondContact OE2-NH1 3.3Å; Y164-R223 VanDerWaalsContact CE1-NE 3.29Å; Y164-R223 PolarHBondContact OH-NH2 2.88Å; I197-R223 HydrophobicContact CG2-CB 3.91Å; F198-R223 PolarHBondContact O-N 3.14Å; F198-R223 VanDerWaalsContact O-N 3.14Å; S199-R223 WeakPolarHBondContact OG-CG 3.41Å; P200-R223 WeakPolarHBondContact CD-O 3.2Å |
| 224 | V | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 140.5 | 163.8 | 54.6 | 0 | 0 | 0 | 0 | 108.5 | V4 E5 F6 L7 P200 T213 V238 L240 I243 | V4-V224 HydrophobicContact CG1-CG1 4.24Å; E5-V224 PolarHBondContact O-N 3.46Å; F6-V224 HydrophobicContact CB-CG1 4.32Å; F6-V224 HydrophobicContact CD1-CG1 3.7Å; F6-V224 HydrophobicContact CD2-CG1 3.86Å; F6-V224 HydrophobicContact CE1-CG1 3.86Å; F6-V224 HydrophobicContact CE2-CG1 3.99Å; F6-V224 HydrophobicContact CG-CG1 3.7Å; F6-V224 HydrophobicContact CZ-CG1 4Å; L7-V224 PolarHBondContact N-O 3.49Å; P200-V224 HydrophobicContact CG-CB 4.49Å; P200-V224 HydrophobicContact CG-CG2 4.49Å; T213-V224 HydrophobicContact CG2-CB 4.25Å; T213-V224 HydrophobicContact CG2-CG2 3.34Å; V224-V238 HydrophobicContact CG2-CG1 4.45Å; V224-L240 HydrophobicContact CG1-CD2 4.37Å; V224-L240 HydrophobicContact CG2-CD2 4.23Å; V224-I243 HydrophobicContact CG1-CG2 4.35Å; V224-I243 HydrophobicContact CG2-CG2 4.47Å |
| 225 | E | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 136 | 170.6 | -75.5 | 165.5 | -127.6 | 0 | 0 | 110.9 | L7 T9 N166 S199 P200 H201 V238 | L7-E225 HydrophobicContact CB-CG 3.78Å; L7-E225 HydrophobicContact CD1-CG 4.19Å; L7-E225 HydrophobicContact CD2-CG 3.72Å; L7-E225 HydrophobicContact CG-CG 4.06Å; L7-E225 WeakPolarHBondContact O-CA 3.47Å; T9-E225 HydrophobicContact CG2-CB 4.48Å; N166-E225 VanDerWaalsContact CB-OE1 3.32Å; N166-E225 WeakPolarHBondContact CB-OE1 3.35Å; N166-E225 PolarHBondContact ND2-OE1 2.95Å; N166-E225 PolarHBondContact ND2-OE2 3.3Å; N166-E225 PolarHBondContact OD1-OE1 2.85Å; S199-E225 WeakPolarHBondContact CB-OE1 3.44Å; S199-E225 WeakPolarHBondContact OG-CG 3.23Å; S199-E225 PolarHBondContact OG-OE1 3.15Å; P200-E225 PolarHBondContact O-N 3.15Å; H201-E225 HydrophobicContact CB-CB 3.94Å; H201-E225 IonicContact CE1-OE2 2.76Å; H201-E225 IonicContact CG-OE2 2.78Å; H201-E225 WeakPolarHBondContact ND1-CB 3.48Å; H201-E225 IonicContact ND1-OE2 3.61Å; H201-E225 PolarHBondContact ND1-OE2 2.96Å; E225-V238 WeakPolarHBondContact O-CG1 3.34Å |
| 226 | G | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -178 | -167.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | L7 T9 V238 L240 | L7-G226 PolarHBondContact O-N 2.89Å; T9-G226 PolarHBondContact N-O 3.32Å; T9-G226 PolarHBondContact OG1-O 3.07Å; G226-V238 WeakPolarHBondContact CA-O 3.3Å; G226-L240 WeakPolarHBondContact O-CD1 3.14Å |
| 227 | T | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 14% | 0.135 | C | C | . | . | B | Isolated β-bridge | trans | -127 | 158.8 | 179.5 | 62.9 | 0 | 0 | 0 | 0 | 110.9 | T9 T10 G230 I231 N237 V238 A239 L240 | T9-T227 WeakPolarHBondContact OG1-CG2 3.38Å; T10-T227 WeakPolarHBondContact OG1-CA 3.15Å; T227-G230 WeakPolarHBondContact OG1-CA 3.2Å; T227-I231 WeakPolarHBondContact CB-O 3.44Å; T227-I231 HydrophobicContact CG2-CG1 4.42Å; T227-I231 WeakPolarHBondContact CG2-O 3.4Å; T227-I231 PolarHBondContact OG1-N 3.41Å; T227-I231 PolarHBondContact OG1-O 3.12Å; T227-N237 HydrophobicContact CG2-CB 3.94Å; T227-V238 PolarHBondContact N-O 2.91Å; T227-V238 VanDerWaalsContact N-O 3.08Å; T227-A239 WeakPolarHBondContact O-CA 3.44Å; T227-L240 PolarHBondContact O-N 2.95Å |
| 228 | V | 98.1 | Very high | 97.3 | Very high | 1 Ų | 1 | 24.2 Ų | 24.2 | 1% | 0.006 | 14% | 0.135 | C | C | . | . | G | 310 helix | trans | -73.5 | 139.8 | 168.6 | -178.9 | 0 | 0 | 0 | 0 | 109.2 | T10 L34 W37 G230 T268 I272 | T10-V228 PolarHBondContact OG1-N 2.57Å; T10-V228 VanDerWaalsContact OG1-N 3.11Å; L34-V228 HydrophobicContact CD2-CG2 3.88Å; W37-V228 HydrophobicContact CE3-CG2 4.22Å; W37-V228 HydrophobicContact CH2-CG2 4.16Å; W37-V228 HydrophobicContact CZ3-CG2 3.55Å; V228-G230 PolarHBondContact O-N 3.47Å; V228-T268 HydrophobicContact CG1-CG2 4.4Å; V228-T268 HydrophobicContact CG2-CG2 4.15Å; V228-I272 HydrophobicContact CB-CD1 3.45Å; V228-I272 VanDerWaalsContact CB-CD1 3.45Å; V228-I272 HydrophobicContact CG1-CD1 3.81Å; V228-I272 HydrophobicContact CG2-CD1 3.62Å |
| 229 | N | 97.5 | Very high | 97.4 | Very high | 25 Ų | 25 | 18.9 Ų | 18.9 | 13% | 0.134 | 11% | 0.112 | C | C | . | . | G | 310 helix | trans | 67.1 | 4.1 | -175.8 | -55.9 | -21.6 | 0 | 0 | 0 | 114.4 | I231 E241 S269 | N229-I231 VanDerWaalsContact C-N 3.3Å; N229-I231 HydrophobicContact CB-CG2 4.38Å; N229-I231 PolarHBondContact O-N 2.93Å; N229-E241 VanDerWaalsContact CA-OE1 3.28Å; N229-E241 WeakPolarHBondContact CA-OE1 3.25Å; N229-E241 PolarHBondContact N-OE1 2.62Å; N229-E241 PolarHBondContact N-OE2 3.39Å; N229-S269 PolarHBondContact ND2-O 2.96Å; N229-S269 VanDerWaalsContact OD1-CB 3.23Å; N229-S269 WeakPolarHBondContact OD1-CB 3.46Å; N229-S269 PolarHBondContact OD1-OG 3.23Å |
| 230 | G | 97.7 | Very high | 97.4 | Very high | 14 Ų | 14 | 16.6 Ų | 16.6 | 14% | 0.144 | 10% | 0.1 | C | C | . | . | G | 310 helix | trans | 66.5 | 28.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | T227 V228 G236 N237 | T227-G230 WeakPolarHBondContact OG1-CA 3.2Å; V228-G230 PolarHBondContact O-N 3.47Å; G230-G236 VanDerWaalsContact O-CA 3.28Å; G230-G236 WeakPolarHBondContact O-CA 3.42Å; G230-N237 VanDerWaalsContact CA-O 3.27Å; G230-N237 WeakPolarHBondContact CA-O 3.44Å |
| 231 | I | 96.7 | Very high | 97.5 | Very high | 8 Ų | 8 | 15.1 Ų | 15.1 | 4% | 0.041 | 9% | 0.085 | C | C | . | . | trans | -69.6 | 156.5 | 172.4 | 65.4 | 168.2 | 0 | 0 | 0 | 111 | T10 F22 T227 N229 N237 I272 I278 | T10-I231 HydrophobicContact CG2-CD1 3.79Å; T10-I231 HydrophobicContact CG2-CG1 4.4Å; F22-I231 HydrophobicContact CZ-CD1 4.33Å; T227-I231 WeakPolarHBondContact CB-O 3.44Å; T227-I231 HydrophobicContact CG2-CG1 4.42Å; T227-I231 WeakPolarHBondContact CG2-O 3.4Å; T227-I231 PolarHBondContact OG1-N 3.41Å; T227-I231 PolarHBondContact OG1-O 3.12Å; N229-I231 VanDerWaalsContact C-N 3.3Å; N229-I231 HydrophobicContact CB-CG2 4.38Å; N229-I231 PolarHBondContact O-N 2.93Å; I231-N237 PolarHBondContact O-N 3.17Å; I231-N237 PolarHBondContact O-ND2 3.16Å; I231-N237 VanDerWaalsContact O-ND2 3.16Å; I231-I272 HydrophobicContact CD1-CG2 4.19Å; I231-I278 HydrophobicContact CG2-CD1 3.89Å | ||
| 232 | G | 95.6 | Very high | 97.5 | Very high | 1 Ų | 1 | 16.9 Ų | 16.9 | 1% | 0.01 | 9% | 0.093 | C | C | . | . | S | Bend | trans | 156.7 | -167.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | D13 T17 N237 | D13-G232 WeakPolarHBondContact O-CA 3.4Å; T17-G232 WeakPolarHBondContact OG1-CA 3.27Å; T17-G232 PolarHBondContact OG1-N 3.36Å; T17-G232 PolarHBondContact OG1-O 3.4Å; G232-N237 WeakPolarHBondContact CA-ND2 3.46Å |
| 233 | E | 91.7 | Very high | 97.5 | Very high | 73 Ų | 73 | 16.3 Ų | 16.3 | 34% | 0.341 | 9% | 0.087 | S | C | . | . | S | Bend | trans | -57.3 | 136.6 | 170.2 | -83 | -79.2 | 133.8 | 0 | 0 | 112.2 | Q16 A235 G236 | Q16-E233 HydrophobicContact CB-CG 3.81Å; Q16-E233 WeakPolarHBondContact CB-OE1 3.47Å; Q16-E233 VanDerWaalsContact OE1-CG 3.29Å; E233-A235 PolarHBondContact O-N 3.36Å; E233-G236 WeakPolarHBondContact O-CA 3.4Å; E233-G236 PolarHBondContact O-N 3.34Å |
| 234 | R | 94.7 | Very high | 97.5 | Very high | 116 Ų | 116 | 16.2 Ų | 16.2 | 44% | 0.438 | 9% | 0.086 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.3 | -110.7 | 174.5 | -51.5 | 176.3 | -54.2 | -71.9 | -5.9 | 113 | T170 D205 | T170-R234 PolarHBondContact O-NH2 3.03Å; D205-R234 WeakPolarHBondContact OD1-CD 3.46Å; D205-R234 IonicContact OD1-CZ 2.71Å; D205-R234 IonicContact OD1-NE 2.76Å; D205-R234 PolarHBondContact OD1-NE 3.48Å; D205-R234 IonicContact OD1-NH2 2.68Å; D205-R234 IonicContact OD2-CZ 2.85Å; D205-R234 IonicContact OD2-NE 3.24Å; D205-R234 PolarHBondContact OD2-NE 2.89Å; D205-R234 IonicContact OD2-NH2 3.12Å; D205-R234 PolarHBondContact OD2-NH2 3.38Å |
| 235 | A | 95.9 | Very high | 97.4 | Very high | 55 Ų | 55 | 16.3 Ų | 16.3 | 46% | 0.455 | 9% | 0.087 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80 | -6.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | D204 E233 | D204-A235 HydrophobicContact CB-CB 4.26Å; D204-A235 WeakPolarHBondContact O-CB 3.12Å; E233-A235 PolarHBondContact O-N 3.36Å |
| 236 | G | 97.1 | Very high | 97.4 | Very high | 1 Ų | 1 | 17.4 Ų | 17.4 | 1% | 0.01 | 10% | 0.096 | C | C | . | . | trans | 100.2 | -173.6 | 177 | 0 | 0 | 0 | 0 | 0 | 114.1 | H203 D204 G230 E233 | H203-G236 VanDerWaalsContact CA-O 3.29Å; H203-G236 WeakPolarHBondContact CA-O 3.35Å; H203-G236 PolarHBondContact ND1-O 2.91Å; D204-G236 PolarHBondContact N-O 3.42Å; G230-G236 VanDerWaalsContact O-CA 3.28Å; G230-G236 WeakPolarHBondContact O-CA 3.42Å; E233-G236 WeakPolarHBondContact O-CA 3.4Å; E233-G236 PolarHBondContact O-N 3.34Å | ||
| 237 | N | 98.4 | Very high | 97.3 | Very high | 3 Ų | 3 | 17.5 Ų | 17.5 | 2% | 0.016 | 10% | 0.096 | C | C | . | . | B | Isolated β-bridge | trans | -97 | 169.8 | 173.8 | -68.4 | -74.5 | 0 | 0 | 0 | 110.4 | D13 H201 C202 H203 T227 G230 I231 G232 A239 | D13-N237 PolarHBondContact OD1-ND2 3.49Å; H201-N237 PolarHBondContact NE2-OD1 2.93Å; C202-N237 CarbonylContact O-C 3.56Å; H203-N237 PolarHBondContact CE1-OD1 2.82Å; T227-N237 HydrophobicContact CG2-CB 3.94Å; G230-N237 VanDerWaalsContact CA-O 3.27Å; G230-N237 WeakPolarHBondContact CA-O 3.44Å; I231-N237 PolarHBondContact O-N 3.17Å; I231-N237 PolarHBondContact O-ND2 3.16Å; I231-N237 VanDerWaalsContact O-ND2 3.16Å; G232-N237 WeakPolarHBondContact CA-ND2 3.46Å; N237-A239 PolarHBondContact O-N 3.11Å |
| 238 | V | 98.6 | Very high | 97.2 | Very high | 1 Ų | 1 | 20.8 Ų | 20.8 | 1% | 0.006 | 11% | 0.114 | C | C | . | . | trans | -53.2 | 132.5 | 165.9 | 64.1 | 0 | 0 | 0 | 0 | 110.6 | C202 A209 T213 V224 E225 G226 T227 L240 I243 | C202-V238 PolarHBondContact O-N 3.45Å; A209-V238 HydrophobicContact CB-CB 3.86Å; A209-V238 HydrophobicContact CB-CG2 4.37Å; T213-V238 HydrophobicContact CG2-CG2 4.41Å; V224-V238 HydrophobicContact CG2-CG1 4.45Å; E225-V238 WeakPolarHBondContact O-CG1 3.34Å; G226-V238 WeakPolarHBondContact CA-O 3.3Å; T227-V238 PolarHBondContact N-O 2.91Å; T227-V238 VanDerWaalsContact N-O 3.08Å; V238-L240 PolarHBondContact O-N 2.87Å; V238-I243 HydrophobicContact CG2-CD1 3.78Å; V238-I243 HydrophobicContact CG2-CG1 3.68Å | ||
| 239 | A | 98.5 | Very high | 97.1 | Very high | 5 Ų | 5 | 23.1 Ų | 23.1 | 4% | 0.041 | 13% | 0.126 | C | C | . | . | B | Isolated β-bridge | trans | -74.5 | 111.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | T227 N237 E241 E242 I243 K284 | T227-A239 WeakPolarHBondContact O-CA 3.44Å; N237-A239 PolarHBondContact O-N 3.11Å; A239-E241 WeakPolarHBondContact CB-OE1 3.36Å; A239-E241 PolarHBondContact O-N 3.2Å; A239-E242 HydrophobicContact CB-CB 4.28Å; A239-E242 HydrophobicContact CB-CG 3.79Å; A239-E242 WeakPolarHBondContact O-CB 3.16Å; A239-E242 PolarHBondContact O-N 3.28Å; A239-E242 VanDerWaalsContact O-N 3.08Å; A239-I243 PolarHBondContact O-N 3.01Å; A239-K284 VanDerWaalsContact CB-NZ 3.29Å |
| 240 | L | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61.1 | -34 | -176.4 | -70 | -177.5 | 0 | 0 | 0 | 112.8 | F6 D8 W37 I39 V224 G226 T227 V238 E242 I243 A244 | F6-L240 HydrophobicContact CD1-CB 4.39Å; F6-L240 HydrophobicContact CD1-CD2 4.02Å; F6-L240 HydrophobicContact CE1-CD2 4.49Å; D8-L240 HydrophobicContact CB-CD1 3.91Å; W37-L240 HydrophobicContact CH2-CB 3.78Å; W37-L240 HydrophobicContact CZ3-CB 4.02Å; W37-L240 HydrophobicContact CZ3-CD1 4.42Å; I39-L240 HydrophobicContact CD1-CD1 4.1Å; V224-L240 HydrophobicContact CG1-CD2 4.37Å; V224-L240 HydrophobicContact CG2-CD2 4.23Å; G226-L240 WeakPolarHBondContact O-CD1 3.14Å; T227-L240 PolarHBondContact O-N 2.95Å; V238-L240 PolarHBondContact O-N 2.87Å; L240-E242 PolarHBondContact O-N 3.36Å; L240-I243 PolarHBondContact O-N 3.22Å; L240-A244 WeakPolarHBondContact O-CB 3.37Å; L240-A244 PolarHBondContact O-N 2.67Å |
| 241 | E | 98.3 | Very high | 96.8 | Very high | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.7 | -33.1 | 177.9 | 68.4 | -79.9 | -176.6 | 0 | 0 | 112.4 | W37 N229 A239 V245 T265 K284 V286 V287 | W37-E241 HydrophobicContact CH2-CB 4.24Å; W37-E241 HydrophobicContact CZ2-CB 4.14Å; N229-E241 VanDerWaalsContact CA-OE1 3.28Å; N229-E241 WeakPolarHBondContact CA-OE1 3.25Å; N229-E241 PolarHBondContact N-OE1 2.62Å; N229-E241 PolarHBondContact N-OE2 3.39Å; A239-E241 WeakPolarHBondContact CB-OE1 3.36Å; A239-E241 PolarHBondContact O-N 3.2Å; E241-V245 WeakPolarHBondContact O-CG2 2.93Å; E241-V245 PolarHBondContact O-N 2.85Å; E241-V245 VanDerWaalsContact O-N 3.17Å; E241-T265 HydrophobicContact CB-CG2 3.56Å; E241-K284 IonicContact OE1-NZ 2.7Å; E241-K284 PolarHBondContact OE1-NZ 3.24Å; E241-V286 HydrophobicContact CB-CG1 4.37Å; E241-V286 HydrophobicContact CG-CB 4.33Å; E241-V286 HydrophobicContact CG-CG1 4.45Å; E241-V287 HydrophobicContact CB-CG1 4.37Å; E241-V287 HydrophobicContact CG-CG1 3.97Å; E241-V287 HydrophobicContact CG-CG2 4.29Å |
| 242 | E | 98.4 | Very high | 96.6 | Very high | 36 Ų | 36 | 35.2 Ų | 35.2 | 17% | 0.168 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -70.9 | -41.3 | 177.5 | -62.7 | -176.8 | -176.3 | 0 | 0 | 111.1 | T210 A239 L240 A246 K284 A285 V286 | T210-E242 HydrophobicContact CG2-CB 4.07Å; T210-E242 PolarHBondContact OG1-OE2 2.76Å; A239-E242 HydrophobicContact CB-CB 4.28Å; A239-E242 HydrophobicContact CB-CG 3.79Å; A239-E242 WeakPolarHBondContact O-CB 3.16Å; A239-E242 PolarHBondContact O-N 3.28Å; A239-E242 VanDerWaalsContact O-N 3.08Å; L240-E242 PolarHBondContact O-N 3.36Å; E242-A246 WeakPolarHBondContact O-CB 3.35Å; E242-A246 PolarHBondContact O-N 2.8Å; E242-K284 IonicContact OE1-NZ 3.01Å; E242-K284 PolarHBondContact OE1-NZ 3.26Å; E242-A285 HydrophobicContact CG-CB 4.12Å; E242-V286 HydrophobicContact CG-CG2 4.42Å |
| 243 | I | 98.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -66.9 | -45.7 | 177.4 | -55.1 | -60.9 | 0 | 0 | 0 | 110.7 | F6 T210 T213 L214 I217 V224 V238 A239 L240 V245 A246 L247 | F6-I243 HydrophobicContact CE1-CB 4.06Å; F6-I243 HydrophobicContact CE1-CG2 4.05Å; F6-I243 HydrophobicContact CZ-CB 4.23Å; F6-I243 HydrophobicContact CZ-CG2 3.78Å; T210-I243 HydrophobicContact CG2-CD1 3.89Å; T213-I243 HydrophobicContact CG2-CD1 3.59Å; T213-I243 HydrophobicContact CG2-CG1 3.94Å; T213-I243 HydrophobicContact CG2-CG2 4.41Å; L214-I243 HydrophobicContact CD2-CD1 4.11Å; L214-I243 HydrophobicContact CD2-CG2 4.45Å; L214-I243 HydrophobicContact CG-CD1 3.88Å; I217-I243 HydrophobicContact CD1-CG2 3.85Å; V224-I243 HydrophobicContact CG1-CG2 4.35Å; V224-I243 HydrophobicContact CG2-CG2 4.47Å; V238-I243 HydrophobicContact CG2-CD1 3.78Å; V238-I243 HydrophobicContact CG2-CG1 3.68Å; A239-I243 PolarHBondContact O-N 3.01Å; L240-I243 PolarHBondContact O-N 3.22Å; I243-V245 PolarHBondContact O-N 2.73Å; I243-A246 PolarHBondContact O-N 2.64Å; I243-L247 HydrophobicContact CG2-CD1 4.19Å; I243-L247 HydrophobicContact CG2-CG 4.28Å; I243-L247 WeakPolarHBondContact O-CG 3.32Å; I243-L247 PolarHBondContact O-N 3.33Å |
| 244 | A | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -57.8 | -48.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | F6 W37 L240 N248 I260 L262 | F6-A244 HydrophobicContact CE1-CB 3.83Å; F6-A244 HydrophobicContact CZ-CB 3.99Å; W37-A244 HydrophobicContact CZ2-CB 4.48Å; L240-A244 WeakPolarHBondContact O-CB 3.37Å; L240-A244 PolarHBondContact O-N 2.67Å; A244-N248 PolarHBondContact O-N 3.08Å; A244-I260 HydrophobicContact CB-CB 4.1Å; A244-I260 HydrophobicContact CB-CG1 4.06Å; A244-I260 HydrophobicContact CB-CG2 3.78Å; A244-L262 HydrophobicContact CB-CD2 3.95Å |
| 245 | V | 97.6 | Very high | 96.8 | Very high | 3 Ų | 3 | 39.6 Ų | 39.6 | 2% | 0.018 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -70.2 | -40.5 | 178.5 | 174 | 0 | 0 | 0 | 0 | 111.4 | E241 I243 L247 N248 I249 L262 V286 I313 V318 | E241-V245 WeakPolarHBondContact O-CG2 2.93Å; E241-V245 PolarHBondContact O-N 2.85Å; E241-V245 VanDerWaalsContact O-N 3.17Å; I243-V245 PolarHBondContact O-N 2.73Å; V245-L247 VanDerWaalsContact C-N 3.35Å; V245-L247 PolarHBondContact O-N 2.89Å; V245-N248 PolarHBondContact O-N 2.93Å; V245-I249 HydrophobicContact CG1-CG1 3.85Å; V245-I249 WeakPolarHBondContact O-CB 3.43Å; V245-I249 WeakPolarHBondContact O-CG1 3.43Å; V245-I249 PolarHBondContact O-N 3.31Å; V245-L262 HydrophobicContact CG2-CD2 3.88Å; V245-V286 HydrophobicContact CB-CG1 4.33Å; V245-V286 HydrophobicContact CB-CG2 3.83Å; V245-V286 HydrophobicContact CG1-CG2 4.08Å; V245-V286 HydrophobicContact CG2-CB 4.47Å; V245-V286 HydrophobicContact CG2-CG1 3.56Å; V245-V286 HydrophobicContact CG2-CG2 4.01Å; V245-I313 HydrophobicContact CG1-CD1 3.53Å; V245-I313 HydrophobicContact CG1-CG1 3.61Å; V245-I313 HydrophobicContact CG1-CG2 4.31Å; V245-V318 HydrophobicContact CG2-CG1 3.89Å |
| 246 | A | 97.6 | Very high | 96.7 | Very high | 22 Ų | 22 | 37 Ų | 37 | 18% | 0.182 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.2 | -42.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L214 E242 I243 N248 R250 | L214-A246 HydrophobicContact CD1-CB 4.02Å; L214-A246 HydrophobicContact CD2-CB 4.01Å; E242-A246 WeakPolarHBondContact O-CB 3.35Å; E242-A246 PolarHBondContact O-N 2.8Å; I243-A246 PolarHBondContact O-N 2.64Å; A246-N248 VanDerWaalsContact C-N 3.34Å; A246-R250 VanDerWaalsContact O-CB 3.27Å; A246-R250 WeakPolarHBondContact O-CB 3.23Å; A246-R250 PolarHBondContact O-N 3.48Å |
| 247 | L | 97.1 | Very high | 96.6 | Very high | 2 Ų | 2 | 39.3 Ų | 39.3 | 1% | 0.01 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65.4 | -36.7 | 177 | -67.9 | -177 | 0 | 0 | 0 | 112.5 | V4 F6 L214 I217 I243 V245 R250 E251 Y254 A256 | V4-L247 HydrophobicContact CB-CD1 4.06Å; V4-L247 HydrophobicContact CG1-CD1 4.18Å; V4-L247 HydrophobicContact CG2-CD1 4.28Å; F6-L247 HydrophobicContact CE2-CD1 4.01Å; F6-L247 HydrophobicContact CZ-CD1 4.03Å; L214-L247 HydrophobicContact CD2-CD2 4.16Å; I217-L247 HydrophobicContact CD1-CD1 4.26Å; I217-L247 HydrophobicContact CD1-CD2 4.21Å; I217-L247 HydrophobicContact CG2-CD2 4.01Å; I243-L247 HydrophobicContact CG2-CD1 4.19Å; I243-L247 HydrophobicContact CG2-CG 4.28Å; I243-L247 WeakPolarHBondContact O-CG 3.32Å; I243-L247 PolarHBondContact O-N 3.33Å; V245-L247 VanDerWaalsContact C-N 3.35Å; V245-L247 PolarHBondContact O-N 2.89Å; L247-R250 CarbonylContact O-C 3.51Å; L247-E251 WeakPolarHBondContact O-CA 3.42Å; L247-E251 PolarHBondContact O-N 3.03Å; L247-Y254 HydrophobicContact CD2-CD2 3.98Å; L247-Y254 HydrophobicContact CD2-CG 3.93Å; L247-A256 HydrophobicContact CD2-CB 4.34Å |
| 248 | N | 96.1 | Very high | 96.6 | Very high | 69 Ų | 69 | 40.6 Ų | 40.6 | 37% | 0.369 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -72.3 | -48.3 | 177.5 | -177.2 | -98.5 | 0 | 0 | 0 | 112.4 | A244 V245 A246 R250 L262 | A244-N248 PolarHBondContact O-N 3.08Å; V245-N248 PolarHBondContact O-N 2.93Å; A246-N248 VanDerWaalsContact C-N 3.34Å; N248-R250 VanDerWaalsContact C-N 3.28Å; N248-R250 PolarHBondContact O-N 2.79Å; N248-L262 HydrophobicContact CB-CD1 3.54Å; N248-L262 WeakPolarHBondContact OD1-CD1 3.11Å |
| 249 | I | 95.1 | Very high | 96.5 | Very high | 51 Ų | 51 | 45 Ų | 45 | 26% | 0.262 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -67.1 | -32.1 | -179.7 | -63.1 | -50.5 | 0 | 0 | 0 | 111.6 | V245 I312 I313 L317 | V245-I249 HydrophobicContact CG1-CG1 3.85Å; V245-I249 WeakPolarHBondContact O-CB 3.43Å; V245-I249 WeakPolarHBondContact O-CG1 3.43Å; V245-I249 PolarHBondContact O-N 3.31Å; I249-I312 WeakPolarHBondContact CD1-O 3.28Å; I249-I312 HydrophobicContact CG2-CB 4.44Å; I249-I312 HydrophobicContact CG2-CD1 4.44Å; I249-I313 HydrophobicContact CD1-CG1 4.34Å; I249-I313 HydrophobicContact CG1-CG1 4.02Å; I249-L317 HydrophobicContact CD1-CD2 3.78Å |
| 250 | R | 95.3 | Very high | 96.5 | Very high | 105 Ų | 105 | 45.5 Ų | 45.5 | 40% | 0.396 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -114.5 | 34.4 | -178.3 | -58.6 | -61 | -55.6 | -71.4 | -2 | 112.4 | A246 L247 N248 D252 Y253 Y254 | A246-R250 VanDerWaalsContact O-CB 3.27Å; A246-R250 WeakPolarHBondContact O-CB 3.23Å; A246-R250 PolarHBondContact O-N 3.48Å; L247-R250 CarbonylContact O-C 3.51Å; N248-R250 VanDerWaalsContact C-N 3.28Å; N248-R250 PolarHBondContact O-N 2.79Å; R250-D252 WeakPolarHBondContact CA-OD1 3.38Å; R250-D252 IonicContact NE-OD1 3.68Å; R250-D252 PolarHBondContact O-N 3.2Å; R250-Y253 VanDerWaalsContact NH2-CB 3.33Å; R250-Y253 PolarHBondContact O-N 3.44Å; R250-Y254 HydrophobicContact CB-CD2 3.72Å; R250-Y254 HydrophobicContact CB-CE2 3.75Å; R250-Y254 WeakPolarHBondContact O-CD2 3.22Å; R250-Y254 PolarHBondContact O-N 2.99Å |
| 251 | E | 93.6 | Very high | 96.4 | Very high | 80 Ų | 80 | 48.8 Ų | 48.8 | 37% | 0.374 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -54.2 | -37.1 | 176.2 | -174 | -176.1 | 162.1 | 0 | 0 | 110.9 | M1 L247 Y253 Q255 | M1-E251 HydrophobicContact CE-CG 3.66Å; M1-E251 WeakPolarHBondContact CE-OE1 3.17Å; M1-E251 HydrophobicContact SD-CG 3.26Å; M1-E251 WeakPolarHBondContact SD-CG 3.43Å; L247-E251 WeakPolarHBondContact O-CA 3.42Å; L247-E251 PolarHBondContact O-N 3.03Å; E251-Y253 VanDerWaalsContact C-N 3.3Å; E251-Y253 PolarHBondContact O-N 3.04Å; E251-Q255 VanDerWaalsContact O-CA 3.22Å; E251-Q255 WeakPolarHBondContact O-CA 3.33Å; E251-Q255 PolarHBondContact O-N 3.13Å |
| 252 | D | 93.3 | Very high | 96.4 | Very high | 116 Ų | 116 | 49.4 Ų | 49.4 | 62% | 0.62 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -58.9 | -37.5 | 176.1 | 71.3 | -45 | 0 | 0 | 0 | 113.5 | R250 | R250-D252 WeakPolarHBondContact CA-OD1 3.38Å; R250-D252 IonicContact NE-OD1 3.68Å; R250-D252 PolarHBondContact O-N 3.2Å |
| 253 | Y | 95.4 | Very high | 96.2 | Very high | 106 Ų | 106 | 51.7 Ų | 51.7 | 42% | 0.416 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -91.6 | -45.5 | -173.9 | 178.3 | -101 | 0 | 0 | 0 | 112.6 | K218 R250 E251 | K218-Y253 HydrophobicContact CD-CE1 4.26Å; K218-Y253 PolarHBondContact NZ-OH 3.43Å; R250-Y253 VanDerWaalsContact NH2-CB 3.33Å; R250-Y253 PolarHBondContact O-N 3.44Å; E251-Y253 VanDerWaalsContact C-N 3.3Å; E251-Y253 PolarHBondContact O-N 3.04Å |
| 254 | Y | 95.5 | Very high | 96 | Very high | 41 Ų | 41 | 53.1 Ų | 53.1 | 16% | 0.161 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -81 | -19.6 | 179.2 | -67.2 | -67.7 | 0 | 0 | 0 | 112.8 | L214 K218 L247 R250 A256 | L214-Y254 HydrophobicContact CB-CE1 4Å; L214-Y254 HydrophobicContact CD2-CE1 4.23Å; L214-Y254 HydrophobicContact CD2-CE2 3.98Å; K218-Y254 HydrophobicContact CB-CD1 4.3Å; K218-Y254 HydrophobicContact CB-CE1 4.37Å; L247-Y254 HydrophobicContact CD2-CD2 3.98Å; L247-Y254 HydrophobicContact CD2-CG 3.93Å; R250-Y254 HydrophobicContact CB-CD2 3.72Å; R250-Y254 HydrophobicContact CB-CE2 3.75Å; R250-Y254 WeakPolarHBondContact O-CD2 3.22Å; R250-Y254 PolarHBondContact O-N 2.99Å; Y254-A256 PolarHBondContact O-N 3.39Å |
| 255 | Q | 94.6 | Very high | 96 | Very high | 135 Ų | 135 | 53.2 Ų | 53.2 | 63% | 0.631 | 27% | 0.268 | S | S | * | . | trans | 50 | 42 | -176.4 | -57.1 | -175.4 | -14.8 | 0 | 0 | 111.5 | M1 R2 E251 | M1-Q255 WeakPolarHBondContact CG-O 3.48Å; R2-Q255 PolarHBondContact N-O 3.06Å; R2-Q255 VanDerWaalsContact N-O 3.17Å; E251-Q255 VanDerWaalsContact O-CA 3.22Å; E251-Q255 WeakPolarHBondContact O-CA 3.33Å; E251-Q255 PolarHBondContact O-N 3.13Å | ||
| 256 | A | 95 | Very high | 95.7 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 138.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | R2 V4 I217 L247 Y254 | R2-A256 CarbonylContact O-C 3Å; R2-A256 WeakPolarHBondContact O-CA 3.21Å; V4-A256 HydrophobicContact CG2-CB 3.84Å; I217-A256 HydrophobicContact CG2-CB 4.39Å; L247-A256 HydrophobicContact CD2-CB 4.34Å; Y254-A256 PolarHBondContact O-N 3.39Å |
| 257 | T | 95.4 | Very high | 95.3 | Very high | 49 Ų | 49 | 55.5 Ų | 55.5 | 30% | 0.301 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 163.1 | 173.6 | 61.1 | 0 | 0 | 0 | 0 | 110.7 | M1 R2 K3 V4 | M1-T257 HydrophobicContact CB-CG2 4.12Å; M1-T257 HydrophobicContact CG-CG2 3.96Å; M1-T257 HydrophobicContact SD-CG2 3.41Å; M1-T257 WeakPolarHBondContact SD-CG2 3.22Å; R2-T257 PolarHBondContact O-N 2.99Å; K3-T257 CarbonylContact C-O 3.56Å; K3-T257 WeakPolarHBondContact CA-O 3.07Å; V4-T257 PolarHBondContact N-O 3.05Å |
| 258 | S | 96.7 | Very high | 95.1 | Very high | 31 Ų | 31 | 55.4 Ų | 55.4 | 22% | 0.217 | 28% | 0.277 | C | S | . | . | trans | -135.8 | 166.5 | 169.9 | 69.7 | 0 | 0 | 0 | 0 | 110.9 | F6 I260 | F6-S258 VanDerWaalsContact CE2-CB 3.47Å; S258-I260 PolarHBondContact OG-N 3.42Å | ||
| 259 | D | 97.3 | Very high | 95.1 | Very high | 94 Ų | 94 | 52.1 Ų | 52.1 | 50% | 0.503 | 26% | 0.259 | S | S | . | . | trans | -85.8 | 4.7 | 173.1 | -73.9 | -14.2 | 0 | 0 | 0 | 112.8 | K3 V261 | K3-D259 WeakPolarHBondContact CE-OD1 3.07Å; K3-D259 WeakPolarHBondContact CE-OD2 3.29Å; K3-D259 IonicContact NZ-OD1 2.96Å; K3-D259 PolarHBondContact NZ-OD1 3.45Å; K3-D259 IonicContact NZ-OD2 2.78Å; K3-D259 PolarHBondContact NZ-OD2 2.78Å; D259-V261 PolarHBondContact O-N 2.94Å | ||
| 260 | I | 98.4 | Very high | 94.8 | Very high | 15 Ų | 15 | 54 Ų | 54 | 8% | 0.077 | 27% | 0.267 | C | S | . | . | trans | -65 | 125.9 | -175 | -60.3 | -65.9 | 0 | 0 | 0 | 110.2 | F6 W37 I39 A244 S258 L262 | F6-I260 HydrophobicContact CB-CD1 3.98Å; F6-I260 HydrophobicContact CD1-CD1 3.97Å; F6-I260 HydrophobicContact CD1-CG1 4.01Å; F6-I260 HydrophobicContact CD2-CD1 4.26Å; F6-I260 HydrophobicContact CD2-CG1 3.9Å; F6-I260 HydrophobicContact CE1-CG1 4.16Å; F6-I260 HydrophobicContact CE2-CG1 4.08Å; F6-I260 HydrophobicContact CG-CD1 3.81Å; F6-I260 HydrophobicContact CG-CG1 3.89Å; F6-I260 HydrophobicContact CZ-CG1 4.2Å; W37-I260 HydrophobicContact CD2-CG2 4.26Å; W37-I260 HydrophobicContact CG-CG2 4.38Å; W37-I260 HydrophobicContact CZ2-CG2 4.09Å; W37-I260 CarbonylContact O-C 3.56Å; W37-I260 WeakPolarHBondContact O-CA 3.41Å; I39-I260 HydrophobicContact CD1-CD1 3.91Å; A244-I260 HydrophobicContact CB-CB 4.1Å; A244-I260 HydrophobicContact CB-CG1 4.06Å; A244-I260 HydrophobicContact CB-CG2 3.78Å; S258-I260 PolarHBondContact OG-N 3.42Å; I260-L262 HydrophobicContact CG2-CD2 4.04Å; I260-L262 PolarHBondContact O-N 3.22Å; I260-L262 VanDerWaalsContact O-N 3.15Å | ||
| 261 | V | 97.6 | Very high | 94.4 | Very high | 68 Ų | 68 | 50.7 Ų | 50.7 | 41% | 0.412 | 26% | 0.257 | S | S | . | . | trans | -83.8 | 88 | 175.2 | -173.6 | 0 | 0 | 0 | 0 | 108.2 | W37 D259 N263 E264 | W37-V261 PolarHBondContact O-N 3.28Å; D259-V261 PolarHBondContact O-N 2.94Å; V261-N263 PolarHBondContact O-N 3.45Å; V261-N263 VanDerWaalsContact O-N 3.09Å; V261-E264 HydrophobicContact CB-CG 4.18Å; V261-E264 HydrophobicContact CG1-CG 3.8Å; V261-E264 WeakPolarHBondContact O-CB 3.25Å; V261-E264 PolarHBondContact O-N 3.12Å | ||
| 262 | L | 97.3 | Very high | 94.3 | Very high | 15 Ų | 15 | 47 Ų | 47 | 8% | 0.079 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -53.9 | -35.5 | -171.1 | -67.8 | -179.2 | 0 | 0 | 0 | 114.2 | A244 V245 N248 I260 E264 T265 L317 V318 | A244-L262 HydrophobicContact CB-CD2 3.95Å; V245-L262 HydrophobicContact CG2-CD2 3.88Å; N248-L262 HydrophobicContact CB-CD1 3.54Å; N248-L262 WeakPolarHBondContact OD1-CD1 3.11Å; I260-L262 HydrophobicContact CG2-CD2 4.04Å; I260-L262 PolarHBondContact O-N 3.22Å; I260-L262 VanDerWaalsContact O-N 3.15Å; L262-E264 PolarHBondContact O-N 2.81Å; L262-T265 WeakPolarHBondContact O-CB 3.48Å; L262-T265 PolarHBondContact O-N 3.48Å; L262-T265 PolarHBondContact O-OG1 2.52Å; L262-L317 CarbonylContact C-O 3.51Å; L262-L317 HydrophobicContact CB-CD1 4.3Å; L262-L317 HydrophobicContact CB-CG 4.43Å; L262-L317 VanDerWaalsContact CB-O 3.23Å; L262-L317 WeakPolarHBondContact CB-O 3.23Å; L262-L317 HydrophobicContact CD1-CD1 3.81Å; L262-L317 HydrophobicContact CD1-CD2 4.33Å; L262-L317 HydrophobicContact CD1-CG 4.02Å; L262-V318 CarbonylContact O-C 3.53Å; L262-V318 VanDerWaalsContact O-CA 3.26Å; L262-V318 WeakPolarHBondContact O-CA 3.41Å |
| 263 | N | 94.3 | Very high | 94 | Very high | 84 Ų | 84 | 42.4 Ų | 42.4 | 45% | 0.449 | 22% | 0.217 | S | C | . | . | G | 310 helix | trans | -62.8 | -17.3 | 178.5 | -172 | -79.4 | 0 | 0 | 0 | 113.2 | V261 E316 L317 G319 | V261-N263 PolarHBondContact O-N 3.45Å; V261-N263 VanDerWaalsContact O-N 3.09Å; N263-E316 PolarHBondContact ND2-O 3.35Å; N263-L317 WeakPolarHBondContact CA-O 3.43Å; N263-L317 PolarHBondContact N-O 3.2Å; N263-G319 WeakPolarHBondContact O-CA 3.46Å |
| 264 | E | 95.1 | Very high | 93.3 | Very high | 30 Ų | 30 | 46 Ų | 46 | 14% | 0.14 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -88.5 | -3.4 | 176.2 | -61.8 | -71.3 | 163.9 | 0 | 0 | 112.7 | R33 K36 V261 L262 T268 | R33-E264 IonicContact CZ-OE2 2.75Å; R33-E264 IonicContact NH1-OE2 3.33Å; R33-E264 PolarHBondContact NH1-OE2 2.92Å; R33-E264 VanDerWaalsContact NH2-CB 3.35Å; R33-E264 PolarHBondContact NH2-O 3.49Å; R33-E264 IonicContact NH2-OE2 3.2Å; R33-E264 PolarHBondContact NH2-OE2 3.09Å; K36-E264 WeakPolarHBondContact CE-OE1 3.38Å; K36-E264 WeakPolarHBondContact CE-OE2 3.37Å; K36-E264 IonicContact NZ-OE1 2.75Å; K36-E264 PolarHBondContact NZ-OE1 2.91Å; K36-E264 IonicContact NZ-OE2 2.61Å; K36-E264 PolarHBondContact NZ-OE2 3.45Å; V261-E264 HydrophobicContact CB-CG 4.18Å; V261-E264 HydrophobicContact CG1-CG 3.8Å; V261-E264 WeakPolarHBondContact O-CB 3.25Å; V261-E264 PolarHBondContact O-N 3.12Å; L262-E264 PolarHBondContact O-N 2.81Å; E264-T268 WeakPolarHBondContact O-CB 3.48Å; E264-T268 PolarHBondContact O-N 2.85Å; E264-T268 VanDerWaalsContact O-N 3.11Å; E264-T268 PolarHBondContact O-OG1 2.89Å |
| 265 | T | 97 | Very high | 92.7 | Very high | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.006 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.9 | -55.5 | -170.9 | -57.4 | 0 | 0 | 0 | 0 | 113.1 | W37 E241 L262 N267 T268 S269 V286 V287 | W37-T265 HydrophobicContact CZ2-CG2 4.06Å; W37-T265 PolarHBondContact NE1-OG1 2.93Å; E241-T265 HydrophobicContact CB-CG2 3.56Å; L262-T265 WeakPolarHBondContact O-CB 3.48Å; L262-T265 PolarHBondContact O-N 3.48Å; L262-T265 PolarHBondContact O-OG1 2.52Å; T265-N267 PolarHBondContact O-N 3Å; T265-T268 WeakPolarHBondContact O-CB 3.29Å; T265-T268 PolarHBondContact O-N 3.04Å; T265-T268 VanDerWaalsContact O-N 3.15Å; T265-S269 WeakPolarHBondContact O-CB 3.34Å; T265-S269 PolarHBondContact O-N 2.84Å; T265-V286 HydrophobicContact CG2-CG1 4.06Å; T265-V287 HydrophobicContact CG2-CG1 3.94Å |
| 266 | V | 93.1 | Very high | 92.3 | Very high | 11 Ų | 11 | 40.6 Ų | 40.6 | 7% | 0.067 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63 | -45.4 | -175.8 | 169.7 | 0 | 0 | 0 | 0 | 111.7 | T268 S269 E270 V287 V318 V320 | V266-T268 PolarHBondContact O-N 3.44Å; V266-S269 WeakPolarHBondContact O-CB 3.47Å; V266-S269 PolarHBondContact O-N 3.17Å; V266-E270 HydrophobicContact CG1-CG 4.25Å; V266-E270 WeakPolarHBondContact O-CG 3.45Å; V266-E270 PolarHBondContact O-N 2.92Å; V266-V287 HydrophobicContact CG2-CG1 4.22Å; V266-V318 HydrophobicContact CG2-CB 4.16Å; V266-V318 HydrophobicContact CG2-CG2 3.79Å; V266-V318 WeakPolarHBondContact CG2-O 3.45Å; V266-V318 PolarHBondContact N-O 3.19Å; V266-V320 HydrophobicContact CG1-CG2 4.48Å; V266-V320 HydrophobicContact CG2-CG2 3.82Å |
| 267 | N | 87.6 | Confident | 91.7 | Very high | 63 Ų | 63 | 43.6 Ų | 43.6 | 34% | 0.337 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -67.9 | -26 | 179.2 | -48.8 | -72.8 | 0 | 0 | 0 | 112.3 | T265 L271 | T265-N267 PolarHBondContact O-N 3Å; N267-L271 WeakPolarHBondContact O-CB 3.31Å; N267-L271 PolarHBondContact O-N 3.07Å |
| 268 | T | 93.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -70 | -45.9 | 172.1 | -61.3 | 0 | 0 | 0 | 0 | 110.9 | R33 L34 W37 V228 E264 T265 V266 L271 I272 | R33-T268 HydrophobicContact CG-CG2 3.92Å; R33-T268 WeakPolarHBondContact CG-OG1 3.37Å; R33-T268 PolarHBondContact NE-OG1 3.36Å; R33-T268 PolarHBondContact NH2-OG1 3.48Å; L34-T268 HydrophobicContact CD2-CG2 4.21Å; W37-T268 HydrophobicContact CD2-CG2 4.24Å; W37-T268 HydrophobicContact CE3-CG2 4.11Å; W37-T268 HydrophobicContact CG-CG2 4.48Å; V228-T268 HydrophobicContact CG1-CG2 4.4Å; V228-T268 HydrophobicContact CG2-CG2 4.15Å; E264-T268 WeakPolarHBondContact O-CB 3.48Å; E264-T268 PolarHBondContact O-N 2.85Å; E264-T268 VanDerWaalsContact O-N 3.11Å; E264-T268 PolarHBondContact O-OG1 2.89Å; T265-T268 WeakPolarHBondContact O-CB 3.29Å; T265-T268 PolarHBondContact O-N 3.04Å; T265-T268 VanDerWaalsContact O-N 3.15Å; V266-T268 PolarHBondContact O-N 3.44Å; T268-L271 PolarHBondContact O-N 2.87Å; T268-I272 HydrophobicContact CG2-CD1 4.13Å; T268-I272 PolarHBondContact O-N 3.09Å; T268-I272 VanDerWaalsContact O-N 3.16Å |
| 269 | S | 95.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -57.6 | -48 | 174.7 | 171.2 | 0 | 0 | 0 | 0 | 112.4 | N229 T265 V266 L271 I272 S273 I280 | N229-S269 PolarHBondContact ND2-O 2.96Å; N229-S269 VanDerWaalsContact OD1-CB 3.23Å; N229-S269 WeakPolarHBondContact OD1-CB 3.46Å; N229-S269 PolarHBondContact OD1-OG 3.23Å; T265-S269 WeakPolarHBondContact O-CB 3.34Å; T265-S269 PolarHBondContact O-N 2.84Å; V266-S269 WeakPolarHBondContact O-CB 3.47Å; V266-S269 PolarHBondContact O-N 3.17Å; S269-L271 PolarHBondContact O-N 2.79Å; S269-I272 PolarHBondContact O-N 2.81Å; S269-S273 WeakPolarHBondContact O-CB 3.22Å; S269-S273 PolarHBondContact O-N 3.11Å; S269-I280 WeakPolarHBondContact OG-CD1 2.96Å |
| 270 | E | 88.6 | Confident | 90.6 | Very high | 91 Ų | 91 | 45 Ų | 45 | 43% | 0.425 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -64.5 | -38.2 | 178.3 | -73.1 | -179.8 | 171.9 | 0 | 0 | 113 | V266 S273 R274 I280 | V266-E270 HydrophobicContact CG1-CG 4.25Å; V266-E270 WeakPolarHBondContact O-CG 3.45Å; V266-E270 PolarHBondContact O-N 2.92Å; E270-S273 PolarHBondContact O-N 3.26Å; E270-R274 WeakPolarHBondContact O-CB 3.18Å; E270-R274 PolarHBondContact O-N 3.48Å; E270-I280 HydrophobicContact CG-CD1 4.44Å |
| 271 | L | 86.4 | Confident | 90.4 | Very high | 35 Ų | 35 | 47.7 Ų | 47.7 | 18% | 0.183 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.1 | -47.4 | 176.7 | -177.4 | 71.4 | 0 | 0 | 0 | 110.9 | R33 N267 T268 S269 R274 F275 | R33-L271 HydrophobicContact CB-CD2 3.59Å; R33-L271 HydrophobicContact CG-CD2 3.67Å; N267-L271 WeakPolarHBondContact O-CB 3.31Å; N267-L271 PolarHBondContact O-N 3.07Å; T268-L271 PolarHBondContact O-N 2.87Å; S269-L271 PolarHBondContact O-N 2.79Å; L271-R274 PolarHBondContact O-N 3.12Å; L271-F275 HydrophobicContact CD1-CD2 4.1Å; L271-F275 HydrophobicContact CD1-CE1 4.43Å; L271-F275 HydrophobicContact CD1-CE2 3.48Å; L271-F275 VanDerWaalsContact CD1-CE2 3.48Å; L271-F275 HydrophobicContact CD1-CZ 3.67Å; L271-F275 HydrophobicContact CD2-CE2 4.25Å; L271-F275 HydrophobicContact CG-CD2 4.03Å; L271-F275 HydrophobicContact CG-CE2 3.78Å; L271-F275 HydrophobicContact CG-CZ 4.46Å; L271-F275 PolarHBondContact O-N 2.88Å |
| 272 | I | 91.2 | Very high | 89.9 | Confident | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.005 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -69.3 | -39.8 | -179.3 | -70.5 | 166.6 | 0 | 0 | 0 | 110.3 | T10 I30 L34 V228 I231 T268 S269 R274 F275 S276 | T10-I272 HydrophobicContact CG2-CD1 4.02Å; T10-I272 HydrophobicContact CG2-CG1 4.39Å; T10-I272 HydrophobicContact CG2-CG2 3.91Å; I30-I272 HydrophobicContact CD1-CG1 4.43Å; I30-I272 HydrophobicContact CG1-CG1 4.18Å; I30-I272 HydrophobicContact CG2-CD1 4.13Å; I30-I272 HydrophobicContact CG2-CG1 4.13Å; L34-I272 HydrophobicContact CD2-CD1 4.4Å; V228-I272 HydrophobicContact CB-CD1 3.45Å; V228-I272 VanDerWaalsContact CB-CD1 3.45Å; V228-I272 HydrophobicContact CG1-CD1 3.81Å; V228-I272 HydrophobicContact CG2-CD1 3.62Å; I231-I272 HydrophobicContact CD1-CG2 4.19Å; T268-I272 HydrophobicContact CG2-CD1 4.13Å; T268-I272 PolarHBondContact O-N 3.09Å; T268-I272 VanDerWaalsContact O-N 3.16Å; S269-I272 PolarHBondContact O-N 2.81Å; I272-R274 VanDerWaalsContact C-N 3.32Å; I272-R274 PolarHBondContact O-N 3.49Å; I272-F275 PolarHBondContact O-N 2.82Å; I272-S276 WeakPolarHBondContact O-CB 3.34Å; I272-S276 PolarHBondContact O-N 2.91Å; I272-S276 PolarHBondContact O-OG 2.72Å |
| 273 | S | 89 | Confident | 89.7 | Confident | 20 Ų | 20 | 57 Ų | 57 | 14% | 0.14 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -56.5 | -45.9 | 171.9 | 177.2 | 0 | 0 | 0 | 0 | 111.7 | S269 E270 S276 G277 I278 | S269-S273 WeakPolarHBondContact O-CB 3.22Å; S269-S273 PolarHBondContact O-N 3.11Å; E270-S273 PolarHBondContact O-N 3.26Å; S273-S276 PolarHBondContact O-OG 2.98Å; S273-G277 PolarHBondContact O-N 3.31Å; S273-I278 WeakPolarHBondContact CA-O 3.43Å; S273-I278 WeakPolarHBondContact CB-O 3.33Å; S273-I278 PolarHBondContact O-N 3.41Å; S273-I278 PolarHBondContact OG-O 3.48Å |
| 274 | R | 80.8 | Confident | 89.8 | Confident | 182 Ų | 182 | 54.6 Ų | 54.6 | 69% | 0.687 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -62.3 | -47.3 | 178.1 | -174 | -174.4 | -55.8 | 173.6 | 4.6 | 112.9 | E270 L271 I272 | E270-R274 WeakPolarHBondContact O-CB 3.18Å; E270-R274 PolarHBondContact O-N 3.48Å; L271-R274 PolarHBondContact O-N 3.12Å; I272-R274 VanDerWaalsContact C-N 3.32Å; I272-R274 PolarHBondContact O-N 3.49Å |
| 275 | F | 82.5 | Confident | 89.8 | Confident | 53 Ų | 53 | 55.6 Ų | 55.6 | 23% | 0.232 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -77 | -28.6 | -177.3 | -67.9 | -25.7 | 0 | 0 | 0 | 113.3 | F22 E26 A29 I30 L271 I272 | F22-F275 HydrophobicContact CD1-CB 3.87Å; F22-F275 HydrophobicContact CE1-CB 3.77Å; E26-F275 HydrophobicContact CB-CB 4.47Å; E26-F275 HydrophobicContact CB-CD2 3.93Å; E26-F275 HydrophobicContact CB-CE2 4.2Å; E26-F275 HydrophobicContact CB-CG 4.1Å; E26-F275 HydrophobicContact CG-CB 4.44Å; E26-F275 HydrophobicContact CG-CD1 3.8Å; E26-F275 HydrophobicContact CG-CD2 4.05Å; E26-F275 HydrophobicContact CG-CE1 3.95Å; E26-F275 HydrophobicContact CG-CE2 4.17Å; E26-F275 HydrophobicContact CG-CG 3.87Å; E26-F275 HydrophobicContact CG-CZ 4.12Å; A29-F275 HydrophobicContact CB-CE2 3.97Å; A29-F275 HydrophobicContact CB-CZ 4.44Å; I30-F275 HydrophobicContact CD1-CB 4.41Å; I30-F275 HydrophobicContact CD1-CD2 3.94Å; I30-F275 HydrophobicContact CG1-CD2 3.75Å; I30-F275 HydrophobicContact CG1-CE2 4.29Å; L271-F275 HydrophobicContact CD1-CD2 4.1Å; L271-F275 HydrophobicContact CD1-CE1 4.43Å; L271-F275 HydrophobicContact CD1-CE2 3.48Å; L271-F275 VanDerWaalsContact CD1-CE2 3.48Å; L271-F275 HydrophobicContact CD1-CZ 3.67Å; L271-F275 HydrophobicContact CD2-CE2 4.25Å; L271-F275 HydrophobicContact CG-CD2 4.03Å; L271-F275 HydrophobicContact CG-CE2 3.78Å; L271-F275 HydrophobicContact CG-CZ 4.46Å; L271-F275 PolarHBondContact O-N 2.88Å; I272-F275 PolarHBondContact O-N 2.82Å |
| 276 | S | 86.6 | Confident | 89.8 | Confident | 9 Ų | 9 | 56 Ų | 56 | 6% | 0.063 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -80.5 | -21.2 | 176.5 | 60.1 | 0 | 0 | 0 | 0 | 112.5 | I272 S273 I278 | I272-S276 WeakPolarHBondContact O-CB 3.34Å; I272-S276 PolarHBondContact O-N 2.91Å; I272-S276 PolarHBondContact O-OG 2.72Å; S273-S276 PolarHBondContact O-OG 2.98Å; S276-I278 PolarHBondContact O-N 3.1Å; S276-I278 PolarHBondContact OG-N 3.02Å |
| 277 | G | 81.3 | Confident | 89.8 | Confident | 64 Ų | 64 | 56.1 Ų | 56.1 | 66% | 0.66 | 31% | 0.308 | S | S | * | . | trans | 74 | 4.1 | -170.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | S273 | S273-G277 PolarHBondContact O-N 3.31Š| ||
| 278 | I | 87.4 | Confident | 90 | Very high | 61 Ų | 61 | 53.1 Ų | 53.1 | 31% | 0.313 | 29% | 0.292 | S | S | . | . | P | Polyproline II helix | trans | -92.2 | 116.2 | 179.8 | -60 | 176.9 | 0 | 0 | 0 | 108.8 | T17 V20 I231 S273 S276 | T17-I278 HydrophobicContact CG2-CD1 3.52Å; V20-I278 HydrophobicContact CG2-CD1 3.55Å; V20-I278 HydrophobicContact CG2-CG1 4.15Å; I231-I278 HydrophobicContact CG2-CD1 3.89Å; S273-I278 WeakPolarHBondContact CA-O 3.43Å; S273-I278 WeakPolarHBondContact CB-O 3.33Å; S273-I278 PolarHBondContact O-N 3.41Å; S273-I278 PolarHBondContact OG-O 3.48Å; S276-I278 PolarHBondContact O-N 3.1Å; S276-I278 PolarHBondContact OG-N 3.02Å |
| 279 | S | 88.7 | Confident | 89.5 | Confident | 100 Ų | 100 | 55.8 Ų | 55.8 | 70% | 0.699 | 32% | 0.32 | S | S | * | . | P | Polyproline II helix | trans | -69.2 | 140.9 | 177.7 | -66.8 | 0 | 0 | 0 | 0 | 111.6 | P281 | S279-P281 WeakPolarHBondContact O-CD 3.48Š|
| 280 | I | 90.7 | Very high | 89.1 | Confident | 43 Ų | 43 | 60.1 Ų | 60.1 | 22% | 0.221 | 34% | 0.343 | C | S | . | . | P | Polyproline II helix | trans | -76 | 121.2 | 173.5 | -60.5 | 157.9 | 0 | 0 | 0 | 108.4 | S269 E270 K282 K284 V287 | S269-I280 WeakPolarHBondContact OG-CD1 2.96Å; E270-I280 HydrophobicContact CG-CD1 4.44Å; I280-K282 PolarHBondContact O-N 2.92Å; I280-K284 HydrophobicContact CG2-CB 4.01Å; I280-K284 HydrophobicContact CG2-CG 4.37Å; I280-V287 HydrophobicContact CG2-CG2 3.93Å |
| 281 | P | 93.3 | Very high | 89 | Confident | 70 Ų | 70 | 58 Ų | 58 | 46% | 0.455 | 34% | 0.341 | S | S | . | . | P | Polyproline II helix | trans | -57.3 | 136.4 | 174.4 | -24.3 | 33.9 | 0 | 0 | 0 | 111 | S279 N283 K284 G288 | S279-P281 WeakPolarHBondContact O-CD 3.48Å; P281-N283 PolarHBondContact O-N 3.4Å; P281-K284 HydrophobicContact CB-CB 4.29Å; P281-K284 VanDerWaalsContact O-CB 3.27Å; P281-K284 WeakPolarHBondContact O-CB 3.4Å; P281-K284 PolarHBondContact O-N 3.5Å; P281-G288 WeakPolarHBondContact O-CA 3.49Å |
| 282 | K | 88.6 | Confident | 88.8 | Confident | 145 Ų | 145 | 57.2 Ų | 57.2 | 63% | 0.63 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | -30.1 | -179.9 | -67.4 | -171.7 | 178.3 | -174.3 | 0 | 112.4 | I280 G288 G289 N290 | I280-K282 PolarHBondContact O-N 2.92Å; K282-G288 CarbonylContact O-C 3.51Å; K282-G288 VanDerWaalsContact O-CA 3.29Å; K282-G288 WeakPolarHBondContact O-CA 3.27Å; K282-G289 PolarHBondContact O-N 3.11Å; K282-G289 VanDerWaalsContact O-N 3.13Å; K282-N290 WeakPolarHBondContact O-CA 3.45Å; K282-N290 VanDerWaalsContact O-CB 3.28Å; K282-N290 WeakPolarHBondContact O-CB 3.07Å; K282-N290 PolarHBondContact O-N 2.79Å |
| 283 | N | 93.1 | Very high | 88.3 | Confident | 133 Ų | 133 | 58.6 Ų | 58.6 | 71% | 0.711 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.8 | 12.7 | 179.4 | 63.8 | -30.1 | 0 | 0 | 0 | 114.2 | P281 A285 | P281-N283 PolarHBondContact O-N 3.4Å; N283-A285 PolarHBondContact O-N 3.17Å |
| 284 | K | 95.7 | Very high | 87.9 | Confident | 34 Ų | 34 | 58.9 Ų | 58.9 | 15% | 0.148 | 35% | 0.345 | C | S | . | . | trans | -60.9 | 134.6 | 173.2 | -175.7 | 60.3 | 164.7 | 68 | 0 | 109.5 | A239 E241 E242 I280 P281 V287 G288 | A239-K284 VanDerWaalsContact CB-NZ 3.29Å; E241-K284 IonicContact OE1-NZ 2.7Å; E241-K284 PolarHBondContact OE1-NZ 3.24Å; E242-K284 IonicContact OE1-NZ 3.01Å; E242-K284 PolarHBondContact OE1-NZ 3.26Å; I280-K284 HydrophobicContact CG2-CB 4.01Å; I280-K284 HydrophobicContact CG2-CG 4.37Å; P281-K284 HydrophobicContact CB-CB 4.29Å; P281-K284 VanDerWaalsContact O-CB 3.27Å; P281-K284 WeakPolarHBondContact O-CB 3.4Å; P281-K284 PolarHBondContact O-N 3.5Å; K284-V287 HydrophobicContact CB-CG2 4.37Å; K284-V287 HydrophobicContact CG-CG2 3.76Å; K284-G288 VanDerWaalsContact O-CA 3.27Å; K284-G288 WeakPolarHBondContact O-CA 3.19Å; K284-G288 PolarHBondContact O-N 2.79Å | ||
| 285 | A | 95.7 | Very high | 87.7 | Confident | 51 Ų | 51 | 54.3 Ų | 54.3 | 42% | 0.421 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | 146 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | E242 N283 V287 | E242-A285 HydrophobicContact CG-CB 4.12Å; N283-A285 PolarHBondContact O-N 3.17Å; A285-V287 PolarHBondContact O-N 3.04Å |
| 286 | V | 95.7 | Very high | 87.6 | Confident | 10 Ų | 10 | 53.3 Ų | 53.3 | 6% | 0.061 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 68.3 | -49.1 | 179.2 | -177.2 | 0 | 0 | 0 | 0 | 115.6 | E241 E242 V245 T265 F292 I313 V318 | E241-V286 HydrophobicContact CB-CG1 4.37Å; E241-V286 HydrophobicContact CG-CB 4.33Å; E241-V286 HydrophobicContact CG-CG1 4.45Å; E242-V286 HydrophobicContact CG-CG2 4.42Å; V245-V286 HydrophobicContact CB-CG1 4.33Å; V245-V286 HydrophobicContact CB-CG2 3.83Å; V245-V286 HydrophobicContact CG1-CG2 4.08Å; V245-V286 HydrophobicContact CG2-CB 4.47Å; V245-V286 HydrophobicContact CG2-CG1 3.56Å; V245-V286 HydrophobicContact CG2-CG2 4.01Å; T265-V286 HydrophobicContact CG2-CG1 4.06Å; V286-F292 WeakPolarHBondContact O-CE2 3.41Å; V286-F292 WeakPolarHBondContact O-CZ 3.1Å; V286-I313 HydrophobicContact CG2-CD1 4.44Å; V286-V318 HydrophobicContact CG1-CB 4.47Å; V286-V318 HydrophobicContact CG1-CG1 3.87Å |
| 287 | V | 94.2 | Very high | 87.2 | Confident | 14 Ų | 14 | 53.3 Ų | 53.3 | 9% | 0.085 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.2 | -8.3 | -168.6 | -64.5 | 0 | 0 | 0 | 0 | 114.2 | E241 T265 V266 I280 K284 A285 | E241-V287 HydrophobicContact CB-CG1 4.37Å; E241-V287 HydrophobicContact CG-CG1 3.97Å; E241-V287 HydrophobicContact CG-CG2 4.29Å; T265-V287 HydrophobicContact CG2-CG1 3.94Å; V266-V287 HydrophobicContact CG2-CG1 4.22Å; I280-V287 HydrophobicContact CG2-CG2 3.93Å; K284-V287 HydrophobicContact CB-CG2 4.37Å; K284-V287 HydrophobicContact CG-CG2 3.76Å; A285-V287 PolarHBondContact O-N 3.04Å |
| 288 | G | 91.5 | Very high | 87.3 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -68.7 | 140.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | P281 K282 K284 N290 A291 | P281-G288 WeakPolarHBondContact O-CA 3.49Å; K282-G288 CarbonylContact O-C 3.51Å; K282-G288 VanDerWaalsContact O-CA 3.29Å; K282-G288 WeakPolarHBondContact O-CA 3.27Å; K284-G288 VanDerWaalsContact O-CA 3.27Å; K284-G288 WeakPolarHBondContact O-CA 3.19Å; K284-G288 PolarHBondContact O-N 2.79Å; G288-N290 PolarHBondContact O-N 2.86Å; G288-A291 WeakPolarHBondContact O-CB 3.48Å; G288-A291 PolarHBondContact O-N 3.32Å |
| 289 | G | 83.6 | Confident | 87.1 | Confident | 56 Ų | 56 | 56.8 Ų | 56.8 | 58% | 0.577 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -24.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | K282 S293 | K282-G289 PolarHBondContact O-N 3.11Å; K282-G289 VanDerWaalsContact O-N 3.13Å; G289-S293 PolarHBondContact O-OG 2.84Å |
| 290 | N | 86.5 | Confident | 86.8 | Confident | 90 Ų | 90 | 52 Ų | 52 | 48% | 0.481 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -5.3 | 176.1 | -63.4 | -6.8 | 0 | 0 | 0 | 113.4 | K282 G288 F292 S293 | K282-N290 WeakPolarHBondContact O-CA 3.45Å; K282-N290 VanDerWaalsContact O-CB 3.28Å; K282-N290 WeakPolarHBondContact O-CB 3.07Å; K282-N290 PolarHBondContact O-N 2.79Å; G288-N290 PolarHBondContact O-N 2.86Å; N290-F292 PolarHBondContact O-N 2.64Å; N290-F292 VanDerWaalsContact O-N 3.13Å; N290-S293 PolarHBondContact O-N 3.12Å; N290-S293 VanDerWaalsContact O-N 3.16Å |
| 291 | A | 86.3 | Confident | 86.5 | Confident | 46 Ų | 46 | 52.2 Ų | 52.2 | 38% | 0.38 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -22.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | G288 | G288-A291 WeakPolarHBondContact O-CB 3.48Å; G288-A291 PolarHBondContact O-N 3.32Å |
| 292 | F | 83.1 | Confident | 86.1 | Confident | 19 Ų | 19 | 49.4 Ų | 49.4 | 8% | 0.083 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.4 | 8 | -179.4 | -49.4 | -69.3 | 0 | 0 | 0 | 113.2 | V286 N290 I313 P315 V318 V320 | V286-F292 WeakPolarHBondContact O-CE2 3.41Å; V286-F292 WeakPolarHBondContact O-CZ 3.1Å; N290-F292 PolarHBondContact O-N 2.64Å; N290-F292 VanDerWaalsContact O-N 3.13Å; F292-I313 HydrophobicContact CE1-CB 4.1Å; F292-I313 HydrophobicContact CE1-CG2 3.7Å; F292-I313 HydrophobicContact CZ-CG2 4.2Å; F292-P315 HydrophobicContact CB-CG 4.05Å; F292-P315 HydrophobicContact CD1-CB 4.36Å; F292-P315 HydrophobicContact CD1-CG 4.07Å; F292-P315 HydrophobicContact CG-CB 4.23Å; F292-P315 HydrophobicContact CG-CG 4.04Å; F292-V318 HydrophobicContact CE1-CG2 4.25Å; F292-V318 HydrophobicContact CE2-CG2 3.96Å; F292-V318 HydrophobicContact CZ-CG2 3.42Å; F292-V318 VanDerWaalsContact CZ-CG2 3.42Å; F292-V320 HydrophobicContact CD2-CG2 4.2Å; F292-V320 HydrophobicContact CE2-CG2 3.89Å |
| 293 | S | 80.5 | Confident | 85.9 | Confident | 30 Ų | 30 | 43.2 Ų | 43.2 | 21% | 0.21 | 26% | 0.259 | C | S | . | . | trans | -101 | 138.3 | -174.8 | -71.7 | 0 | 0 | 0 | 0 | 111.7 | G289 N290 | G289-S293 PolarHBondContact O-OG 2.84Å; N290-S293 PolarHBondContact O-N 3.12Å; N290-S293 VanDerWaalsContact O-N 3.16Å | ||
| 294 | H | 79.6 | Confident | 85.4 | Confident | 27 Ų | 27 | 40 Ų | 40 | 13% | 0.125 | 24% | 0.241 | C | C | . | . | trans | -124.8 | 110.3 | 176.4 | -58.2 | -65 | 0 | 0 | 0 | 111 | H299 Q300 E311 | H294-H299 HydrophobicContact CB-CB 4.2Å; H294-Q300 HydrophobicContact CB-CG 4.07Å; H294-Q300 VanDerWaalsContact O-CD 3.24Å; H294-Q300 WeakPolarHBondContact O-CG 3.39Å; H294-Q300 PolarHBondContact O-NE2 3.15Å; H294-E311 IonicContact NE2-OE1 2.75Å | ||
| 295 | E | 76.6 | Confident | 85 | Confident | 85 Ų | 85 | 45.2 Ų | 45.2 | 40% | 0.397 | 26% | 0.264 | S | S | . | . | trans | -86.5 | -34.2 | 176.5 | -162 | -165.2 | 155.1 | 0 | 0 | 112.3 | G297 G328 K329 L330 S331 | E295-G297 PolarHBondContact O-N 3.29Å; E295-G328 WeakPolarHBondContact OE1-CA 3.47Å; E295-K329 PolarHBondContact OE1-N 3.45Å; E295-L330 HydrophobicContact CG-CB 4.22Å; E295-L330 CarbonylContact O-C 3.2Å; E295-L330 PolarHBondContact OE1-N 2.89Å; E295-S331 WeakPolarHBondContact O-CA 3.37Å; E295-S331 PolarHBondContact O-N 2.85Å; E295-S331 VanDerWaalsContact O-N 3.1Å; E295-S331 PolarHBondContact O-OG 3.14Å; E295-S331 VanDerWaalsContact O-OG 3.07Å | ||
| 296 | S | 80.7 | Confident | 84.6 | Confident | 32 Ų | 32 | 46.5 Ų | 46.5 | 22% | 0.224 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -63.9 | 123.8 | -178.6 | 172.6 | 0 | 0 | 0 | 0 | 111 | I298 H299 Q300 | S296-I298 PolarHBondContact O-N 2.86Å; S296-H299 WeakPolarHBondContact O-CA 3.19Å; S296-H299 WeakPolarHBondContact O-CB 3.32Å; S296-H299 PolarHBondContact O-N 2.88Å; S296-Q300 WeakPolarHBondContact O-CG 3.37Å; S296-Q300 PolarHBondContact O-N 2.72Å |
| 297 | G | 78.5 | Confident | 84 | Confident | 10 Ų | 10 | 49 Ų | 49 | 10% | 0.103 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -58.4 | -31.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | E295 H299 D301 L330 G332 | E295-G297 PolarHBondContact O-N 3.29Å; G297-H299 VanDerWaalsContact C-N 3.33Å; G297-D301 VanDerWaalsContact O-CB 3.31Å; G297-D301 WeakPolarHBondContact O-CB 3.44Å; G297-D301 PolarHBondContact O-N 3.36Å; G297-L330 PolarHBondContact N-O 2.88Å; G297-G332 VanDerWaalsContact CA-CA 3.48Å |
| 298 | I | 83.1 | Confident | 83.6 | Confident | 128 Ų | 128 | 54.6 Ų | 54.6 | 66% | 0.656 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -68.6 | -38 | 174.4 | -62 | 171.6 | 0 | 0 | 0 | 109.9 | S296 G302 | S296-I298 PolarHBondContact O-N 2.86Å; I298-G302 PolarHBondContact O-N 2.77Å; I298-G302 VanDerWaalsContact O-N 3.09Å |
| 299 | H | 83.9 | Confident | 83.4 | Confident | 70 Ų | 70 | 58 Ų | 58 | 32% | 0.324 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -73.3 | -44.2 | 179.4 | -63.3 | -168.5 | 0 | 0 | 0 | 111 | H294 S296 G297 D301 G302 V303 Y310 | H294-H299 HydrophobicContact CB-CB 4.2Å; S296-H299 WeakPolarHBondContact O-CA 3.19Å; S296-H299 WeakPolarHBondContact O-CB 3.32Å; S296-H299 PolarHBondContact O-N 2.88Å; G297-H299 VanDerWaalsContact C-N 3.33Å; H299-D301 VanDerWaalsContact C-N 3.33Å; H299-D301 PolarHBondContact O-N 3Å; H299-G302 WeakPolarHBondContact O-CA 3.41Å; H299-G302 PolarHBondContact O-N 3.36Å; H299-G302 VanDerWaalsContact O-N 3.1Å; H299-V303 WeakPolarHBondContact O-CG2 3.24Å; H299-V303 PolarHBondContact O-N 3.2Å; H299-Y310 VanDerWaalsContact CA-CE2 3.46Å; H299-Y310 HydrophobicContact CB-CD1 4.36Å; H299-Y310 HydrophobicContact CB-CD2 4.08Å; H299-Y310 HydrophobicContact CB-CE1 4.21Å; H299-Y310 HydrophobicContact CB-CE2 3.95Å; H299-Y310 HydrophobicContact CB-CG 4.3Å; H299-Y310 AromaticContact CD2-CE1 3.37Å; H299-Y310 WeakPolarHBondContact CD2-CE1 3.31Å; H299-Y310 AromaticContact CD2-CZ 3.28Å; H299-Y310 PolarHBondContact CD2-OH 3.13Å; H299-Y310 AromaticContact CE1-CE1 3.7Å; H299-Y310 AromaticContact CG-CD1 3.95Å; H299-Y310 AromaticContact CG-CE1 3.53Å; H299-Y310 AromaticContact CG-CZ 3.61Å; H299-Y310 AromaticContact ND1-CD1 3.91Å; H299-Y310 AromaticContact ND1-CE1 3.73Å; H299-Y310 AromaticContact NE2-CE1 3.52Å; H299-Y310 AromaticContact NE2-CZ 3.86Å |
| 300 | Q | 81.5 | Confident | 83.5 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -58.2 | -45.7 | 175.2 | -65.9 | 172.4 | -43.7 | 0 | 0 | 111 | H294 S296 G302 V303 L304 L325 P326 S331 A335 | H294-Q300 HydrophobicContact CB-CG 4.07Å; H294-Q300 VanDerWaalsContact O-CD 3.24Å; H294-Q300 WeakPolarHBondContact O-CG 3.39Å; H294-Q300 PolarHBondContact O-NE2 3.15Å; S296-Q300 WeakPolarHBondContact O-CG 3.37Å; S296-Q300 PolarHBondContact O-N 2.72Å; Q300-G302 VanDerWaalsContact C-N 3.3Å; Q300-G302 PolarHBondContact O-N 2.56Å; Q300-V303 PolarHBondContact O-N 2.84Å; Q300-L304 VanDerWaalsContact O-CB 3.29Å; Q300-L304 WeakPolarHBondContact O-CB 3.49Å; Q300-L304 WeakPolarHBondContact O-CD1 3.31Å; Q300-L304 WeakPolarHBondContact O-CG 3.35Å; Q300-L304 PolarHBondContact O-N 3.04Å; Q300-L325 HydrophobicContact CB-CD1 4.46Å; Q300-L325 HydrophobicContact CG-CD1 4.07Å; Q300-P326 PolarHBondContact NE2-O 3.35Å; Q300-S331 PolarHBondContact NE2-OG 2.58Å; Q300-S331 VanDerWaalsContact OE1-CB 3.24Å; Q300-S331 PolarHBondContact OE1-OG 3.16Å; Q300-A335 HydrophobicContact CB-CB 3.51Å; Q300-A335 HydrophobicContact CG-CB 3.93Å |
| 301 | D | 84.1 | Confident | 83.6 | Confident | 47 Ų | 47 | 56.1 Ų | 56.1 | 25% | 0.251 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -60.3 | -38.9 | 175 | 176.8 | 78.3 | 0 | 0 | 0 | 112.7 | G297 H299 K305 H334 | G297-D301 VanDerWaalsContact O-CB 3.31Å; G297-D301 WeakPolarHBondContact O-CB 3.44Å; G297-D301 PolarHBondContact O-N 3.36Å; H299-D301 VanDerWaalsContact C-N 3.33Å; H299-D301 PolarHBondContact O-N 3Å; D301-K305 WeakPolarHBondContact O-CD 3.28Å; D301-K305 VanDerWaalsContact O-CG 3.26Å; D301-K305 WeakPolarHBondContact O-CG 3.29Å; D301-K305 PolarHBondContact O-N 3.27Å; D301-K305 WeakPolarHBondContact OD1-CE 3.43Å; D301-K305 IonicContact OD1-NZ 3.04Å; D301-K305 PolarHBondContact OD1-NZ 3.45Å; D301-K305 WeakPolarHBondContact OD2-CE 3.3Å; D301-K305 IonicContact OD2-NZ 2.64Å; D301-K305 PolarHBondContact OD2-NZ 3.46Å; D301-H334 HydrophobicContact CB-CB 4.44Å; D301-H334 IonicContact OD1-CD2 3.34Å; D301-H334 PolarHBondContact OD1-CD2 2.94Å; D301-H334 IonicContact OD1-CG 3.68Å |
| 302 | G | 86 | Confident | 83.7 | Confident | 11 Ų | 11 | 59.9 Ų | 59.9 | 11% | 0.113 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.7 | -51.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | I298 H299 Q300 L304 K305 N306 T309 | I298-G302 PolarHBondContact O-N 2.77Å; I298-G302 VanDerWaalsContact O-N 3.09Å; H299-G302 WeakPolarHBondContact O-CA 3.41Å; H299-G302 PolarHBondContact O-N 3.36Å; H299-G302 VanDerWaalsContact O-N 3.1Å; Q300-G302 VanDerWaalsContact C-N 3.3Å; Q300-G302 PolarHBondContact O-N 2.56Å; G302-L304 PolarHBondContact O-N 2.86Å; G302-K305 PolarHBondContact O-N 3.39Å; G302-N306 CarbonylContact O-C 3.33Å; G302-N306 PolarHBondContact O-N 3.48Å; G302-T309 PolarHBondContact O-OG1 3.44Å; G302-T309 VanDerWaalsContact O-OG1 3.11Å |
| 303 | V | 84.4 | Confident | 84.1 | Confident | 14 Ų | 14 | 60.3 Ų | 60.3 | 9% | 0.085 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63.4 | -42.9 | -178.1 | 169.2 | 0 | 0 | 0 | 0 | 111.9 | H299 Q300 K305 N306 P307 T309 Y310 E311 | H299-V303 WeakPolarHBondContact O-CG2 3.24Å; H299-V303 PolarHBondContact O-N 3.2Å; Q300-V303 PolarHBondContact O-N 2.84Å; V303-K305 VanDerWaalsContact C-N 3.25Å; V303-K305 PolarHBondContact O-N 2.97Å; V303-N306 CarbonylContact O-C 3.57Å; V303-N306 PolarHBondContact O-N 3.42Å; V303-P307 HydrophobicContact CG1-CB 4.4Å; V303-P307 VanDerWaalsContact O-CD 3.24Å; V303-P307 WeakPolarHBondContact O-CD 3.5Å; V303-T309 PolarHBondContact N-OG1 3.4Å; V303-Y310 HydrophobicContact CG2-CD2 3.89Å; V303-Y310 HydrophobicContact CG2-CG 4.32Å; V303-E311 VanDerWaalsContact CG1-OE1 3.31Å; V303-E311 WeakPolarHBondContact CG1-OE1 3.12Å; V303-E311 HydrophobicContact CG2-CG 4.41Å |
| 304 | L | 82.3 | Confident | 84.4 | Confident | 66 Ų | 66 | 61.6 Ų | 61.6 | 35% | 0.346 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -61.6 | -33.4 | 176.6 | -71.8 | 165.6 | 0 | 0 | 0 | 112.4 | Q300 G302 E338 | Q300-L304 VanDerWaalsContact O-CB 3.29Å; Q300-L304 WeakPolarHBondContact O-CB 3.49Å; Q300-L304 WeakPolarHBondContact O-CD1 3.31Å; Q300-L304 WeakPolarHBondContact O-CG 3.35Å; Q300-L304 PolarHBondContact O-N 3.04Å; G302-L304 PolarHBondContact O-N 2.86Å; L304-E338 HydrophobicContact CD1-CB 4.02Å; L304-E338 HydrophobicContact CD1-CG 3.57Å; L304-E338 HydrophobicContact CD2-CB 4.18Å; L304-E338 HydrophobicContact CD2-CG 3.92Å; L304-E338 HydrophobicContact CG-CG 4.3Å |
| 305 | K | 88 | Confident | 84.7 | Confident | 144 Ų | 144 | 60.3 Ų | 60.3 | 63% | 0.626 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -78.2 | -42.9 | 174.7 | -72.6 | 168.9 | -176.5 | 166.6 | 0 | 112.5 | D301 G302 V303 | D301-K305 WeakPolarHBondContact O-CD 3.28Å; D301-K305 VanDerWaalsContact O-CG 3.26Å; D301-K305 WeakPolarHBondContact O-CG 3.29Å; D301-K305 PolarHBondContact O-N 3.27Å; D301-K305 WeakPolarHBondContact OD1-CE 3.43Å; D301-K305 IonicContact OD1-NZ 3.04Å; D301-K305 PolarHBondContact OD1-NZ 3.45Å; D301-K305 WeakPolarHBondContact OD2-CE 3.3Å; D301-K305 IonicContact OD2-NZ 2.64Å; D301-K305 PolarHBondContact OD2-NZ 3.46Å; G302-K305 PolarHBondContact O-N 3.39Å; V303-K305 VanDerWaalsContact C-N 3.25Å; V303-K305 PolarHBondContact O-N 2.97Å |
| 306 | N | 86.1 | Confident | 85.3 | Confident | 78 Ų | 78 | 61 Ų | 61 | 42% | 0.417 | 32% | 0.319 | S | S | . | . | trans | -159.7 | 111.5 | 176 | -176.1 | -12 | 0 | 0 | 0 | 109.4 | G302 V303 L308 T309 | G302-N306 CarbonylContact O-C 3.33Å; G302-N306 PolarHBondContact O-N 3.48Å; V303-N306 CarbonylContact O-C 3.57Å; V303-N306 PolarHBondContact O-N 3.42Å; N306-L308 PolarHBondContact O-N 3.31Å; N306-L308 VanDerWaalsContact O-N 3.08Å; N306-L308 WeakPolarHBondContact OD1-CB 3.44Å; N306-L308 PolarHBondContact OD1-N 3.47Å; N306-L308 VanDerWaalsContact OD1-N 3.15Å; N306-T309 HydrophobicContact CB-CG2 4.2Å; N306-T309 WeakPolarHBondContact O-CB 3.37Å; N306-T309 VanDerWaalsContact O-CG2 3.29Å; N306-T309 WeakPolarHBondContact O-CG2 3.47Å; N306-T309 PolarHBondContact O-N 2.89Å; N306-T309 PolarHBondContact O-OG1 2.98Å | ||
| 307 | P | 84 | Confident | 85.9 | Confident | 61 Ų | 61 | 61.8 Ų | 61.8 | 40% | 0.396 | 32% | 0.32 | S | S | . | . | G | 310 helix | trans | -53.2 | -34.1 | -178.4 | -29.7 | 36.1 | 0 | 0 | 0 | 114 | V303 T309 Y310 E311 | V303-P307 HydrophobicContact CG1-CB 4.4Å; V303-P307 VanDerWaalsContact O-CD 3.24Å; V303-P307 WeakPolarHBondContact O-CD 3.5Å; P307-T309 PolarHBondContact O-N 3.48Å; P307-Y310 PolarHBondContact O-N 2.96Å; P307-Y310 VanDerWaalsContact O-N 3.11Å; P307-E311 WeakPolarHBondContact CB-OE2 3.47Å; P307-E311 WeakPolarHBondContact O-CB 3.29Å; P307-E311 PolarHBondContact O-N 3.35Å |
| 308 | L | 85.5 | Confident | 86.6 | Confident | 132 Ų | 132 | 61.3 Ų | 61.3 | 69% | 0.691 | 32% | 0.316 | S | S | * | . | G | 310 helix | trans | -62.5 | -8.5 | 179.6 | -61.5 | 177.1 | 0 | 0 | 0 | 114.8 | N306 Y310 | N306-L308 PolarHBondContact O-N 3.31Å; N306-L308 VanDerWaalsContact O-N 3.08Å; N306-L308 WeakPolarHBondContact OD1-CB 3.44Å; N306-L308 PolarHBondContact OD1-N 3.47Å; N306-L308 VanDerWaalsContact OD1-N 3.15Å; L308-Y310 VanDerWaalsContact C-N 3.27Å; L308-Y310 PolarHBondContact O-N 3.38Å |
| 309 | T | 87.3 | Confident | 86.9 | Confident | 71 Ų | 71 | 55.5 Ų | 55.5 | 44% | 0.436 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | -66.4 | -28.5 | 173.2 | 53.6 | 0 | 0 | 0 | 0 | 112.9 | G302 V303 N306 P307 | G302-T309 PolarHBondContact O-OG1 3.44Å; G302-T309 VanDerWaalsContact O-OG1 3.11Å; V303-T309 PolarHBondContact N-OG1 3.4Å; N306-T309 HydrophobicContact CB-CG2 4.2Å; N306-T309 WeakPolarHBondContact O-CB 3.37Å; N306-T309 VanDerWaalsContact O-CG2 3.29Å; N306-T309 WeakPolarHBondContact O-CG2 3.47Å; N306-T309 PolarHBondContact O-N 2.89Å; N306-T309 PolarHBondContact O-OG1 2.98Å; P307-T309 PolarHBondContact O-N 3.48Å |
| 310 | Y | 86.2 | Confident | 86.9 | Confident | 91 Ų | 91 | 53.9 Ų | 53.9 | 36% | 0.357 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -138.2 | -22.4 | 179.4 | -65.3 | -81.9 | 0 | 0 | 0 | 113.9 | H299 V303 P307 L308 I312 | H299-Y310 VanDerWaalsContact CA-CE2 3.46Å; H299-Y310 HydrophobicContact CB-CD1 4.36Å; H299-Y310 HydrophobicContact CB-CD2 4.08Å; H299-Y310 HydrophobicContact CB-CE1 4.21Å; H299-Y310 HydrophobicContact CB-CE2 3.95Å; H299-Y310 HydrophobicContact CB-CG 4.3Å; H299-Y310 AromaticContact CD2-CE1 3.37Å; H299-Y310 WeakPolarHBondContact CD2-CE1 3.31Å; H299-Y310 AromaticContact CD2-CZ 3.28Å; H299-Y310 PolarHBondContact CD2-OH 3.13Å; H299-Y310 AromaticContact CE1-CE1 3.7Å; H299-Y310 AromaticContact CG-CD1 3.95Å; H299-Y310 AromaticContact CG-CE1 3.53Å; H299-Y310 AromaticContact CG-CZ 3.61Å; H299-Y310 AromaticContact ND1-CD1 3.91Å; H299-Y310 AromaticContact ND1-CE1 3.73Å; H299-Y310 AromaticContact NE2-CE1 3.52Å; H299-Y310 AromaticContact NE2-CZ 3.86Å; V303-Y310 HydrophobicContact CG2-CD2 3.89Å; V303-Y310 HydrophobicContact CG2-CG 4.32Å; P307-Y310 PolarHBondContact O-N 2.96Å; P307-Y310 VanDerWaalsContact O-N 3.11Å; L308-Y310 VanDerWaalsContact C-N 3.27Å; L308-Y310 PolarHBondContact O-N 3.38Å; Y310-I312 PolarHBondContact O-N 2.96Å |
| 311 | E | 87 | Confident | 86.2 | Confident | 16 Ų | 16 | 62.4 Ų | 62.4 | 8% | 0.075 | 32% | 0.32 | C | S | . | . | trans | -93.8 | 97 | -178.4 | -61 | -180 | -174.1 | 0 | 0 | 111 | H294 V303 P307 I313 | H294-E311 IonicContact NE2-OE1 2.75Å; V303-E311 VanDerWaalsContact CG1-OE1 3.31Å; V303-E311 WeakPolarHBondContact CG1-OE1 3.12Å; V303-E311 HydrophobicContact CG2-CG 4.41Å; P307-E311 WeakPolarHBondContact CB-OE2 3.47Å; P307-E311 WeakPolarHBondContact O-CB 3.29Å; P307-E311 PolarHBondContact O-N 3.35Å; E311-I313 VanDerWaalsContact C-N 3.32Å | ||
| 312 | I | 89.9 | Confident | 85 | Confident | 125 Ų | 125 | 68 Ų | 68 | 64% | 0.641 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -81.1 | -16 | 168.5 | 57.3 | 158.6 | 0 | 0 | 0 | 112.7 | I249 Y310 | I249-I312 WeakPolarHBondContact CD1-O 3.28Å; I249-I312 HydrophobicContact CG2-CB 4.44Å; I249-I312 HydrophobicContact CG2-CD1 4.44Å; Y310-I312 PolarHBondContact O-N 2.96Å |
| 313 | I | 90.5 | Very high | 83.5 | Confident | 29 Ų | 29 | 71.3 Ų | 71.3 | 15% | 0.149 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -129.7 | 116 | 178.1 | -58.6 | 157.4 | 0 | 0 | 0 | 105.1 | V245 I249 V286 F292 E311 L317 V318 | V245-I313 HydrophobicContact CG1-CD1 3.53Å; V245-I313 HydrophobicContact CG1-CG1 3.61Å; V245-I313 HydrophobicContact CG1-CG2 4.31Å; I249-I313 HydrophobicContact CD1-CG1 4.34Å; I249-I313 HydrophobicContact CG1-CG1 4.02Å; V286-I313 HydrophobicContact CG2-CD1 4.44Å; F292-I313 HydrophobicContact CE1-CB 4.1Å; F292-I313 HydrophobicContact CE1-CG2 3.7Å; F292-I313 HydrophobicContact CZ-CG2 4.2Å; E311-I313 VanDerWaalsContact C-N 3.32Å; I313-L317 HydrophobicContact CG2-CD2 4.21Å; I313-V318 HydrophobicContact CG2-CG1 3.63Å |
| 314 | T | 87.5 | Confident | 82.3 | Confident | 57 Ų | 57 | 74.2 Ų | 74.2 | 35% | 0.35 | 38% | 0.38 | S | S | . | . | trans | -76.3 | 147.4 | 172.9 | 72.7 | 0 | 0 | 0 | 0 | 109.5 | E316 L317 | T314-E316 WeakPolarHBondContact CB-OE2 3.14Å; T314-E316 PolarHBondContact O-N 3Å; T314-E316 PolarHBondContact OG1-OE2 3.16Å; T314-L317 VanDerWaalsContact O-CB 3.24Å; T314-L317 WeakPolarHBondContact O-CB 3.4Å; T314-L317 PolarHBondContact O-N 3.06Å; T314-L317 PolarHBondContact OG1-N 3.36Å | ||
| 315 | P | 86.6 | Confident | 81.7 | Confident | 0 Ų | 0 | 72.3 Ų | 72.3 | 0% | 0 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -53.9 | -39.6 | 176.8 | -18.2 | 24.1 | 0 | 0 | 0 | 112.4 | F292 L317 V318 G319 V320 N323 | F292-P315 HydrophobicContact CB-CG 4.05Å; F292-P315 HydrophobicContact CD1-CB 4.36Å; F292-P315 HydrophobicContact CD1-CG 4.07Å; F292-P315 HydrophobicContact CG-CB 4.23Å; F292-P315 HydrophobicContact CG-CG 4.04Å; P315-L317 VanDerWaalsContact C-N 3.28Å; P315-L317 PolarHBondContact O-N 3.01Å; P315-V318 VanDerWaalsContact O-CG2 3.32Å; P315-V318 WeakPolarHBondContact O-CG2 3.4Å; P315-V318 PolarHBondContact O-N 2.82Å; P315-G319 PolarHBondContact O-N 3.18Å; P315-V320 HydrophobicContact CB-CB 3.61Å; P315-V320 HydrophobicContact CB-CG1 3.93Å; P315-V320 HydrophobicContact CB-CG2 4.34Å; P315-V320 WeakPolarHBondContact O-CB 3.33Å; P315-V320 PolarHBondContact O-N 3.14Å; P315-N323 HydrophobicContact CG-CB 4.35Å; P315-N323 VanDerWaalsContact CG-CG 3.5Å; P315-N323 WeakPolarHBondContact CG-OD1 3.13Å |
| 316 | E | 89.1 | Confident | 80.8 | Confident | 98 Ų | 98 | 67.7 Ų | 67.7 | 46% | 0.458 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -68.1 | -28.2 | -179 | -57.6 | 74 | -161.2 | 0 | 0 | 112.5 | N263 T314 V318 G319 | N263-E316 PolarHBondContact ND2-O 3.35Å; T314-E316 WeakPolarHBondContact CB-OE2 3.14Å; T314-E316 PolarHBondContact O-N 3Å; T314-E316 PolarHBondContact OG1-OE2 3.16Å; E316-V318 PolarHBondContact O-N 3.12Å; E316-G319 PolarHBondContact O-N 3.44Å |
| 317 | L | 92.7 | Very high | 80.3 | Confident | 49 Ų | 49 | 64.4 Ų | 64.4 | 26% | 0.257 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -58.9 | -38.3 | 177.3 | -179.2 | 61.6 | 0 | 0 | 0 | 110.5 | I249 L262 N263 I313 T314 P315 | I249-L317 HydrophobicContact CD1-CD2 3.78Å; L262-L317 CarbonylContact C-O 3.51Å; L262-L317 HydrophobicContact CB-CD1 4.3Å; L262-L317 HydrophobicContact CB-CG 4.43Å; L262-L317 VanDerWaalsContact CB-O 3.23Å; L262-L317 WeakPolarHBondContact CB-O 3.23Å; L262-L317 HydrophobicContact CD1-CD1 3.81Å; L262-L317 HydrophobicContact CD1-CD2 4.33Å; L262-L317 HydrophobicContact CD1-CG 4.02Å; N263-L317 WeakPolarHBondContact CA-O 3.43Å; N263-L317 PolarHBondContact N-O 3.2Å; I313-L317 HydrophobicContact CG2-CD2 4.21Å; T314-L317 VanDerWaalsContact O-CB 3.24Å; T314-L317 WeakPolarHBondContact O-CB 3.4Å; T314-L317 PolarHBondContact O-N 3.06Å; T314-L317 PolarHBondContact OG1-N 3.36Å; P315-L317 VanDerWaalsContact C-N 3.28Å; P315-L317 PolarHBondContact O-N 3.01Å |
| 318 | V | 93.6 | Very high | 80.1 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -101.3 | -1.7 | -176 | -59.2 | 0 | 0 | 0 | 0 | 113.7 | V245 L262 V266 V286 F292 I313 P315 E316 V320 | V245-V318 HydrophobicContact CG2-CG1 3.89Å; L262-V318 CarbonylContact O-C 3.53Å; L262-V318 VanDerWaalsContact O-CA 3.26Å; L262-V318 WeakPolarHBondContact O-CA 3.41Å; V266-V318 HydrophobicContact CG2-CB 4.16Å; V266-V318 HydrophobicContact CG2-CG2 3.79Å; V266-V318 WeakPolarHBondContact CG2-O 3.45Å; V266-V318 PolarHBondContact N-O 3.19Å; V286-V318 HydrophobicContact CG1-CB 4.47Å; V286-V318 HydrophobicContact CG1-CG1 3.87Å; F292-V318 HydrophobicContact CE1-CG2 4.25Å; F292-V318 HydrophobicContact CE2-CG2 3.96Å; F292-V318 HydrophobicContact CZ-CG2 3.42Å; F292-V318 VanDerWaalsContact CZ-CG2 3.42Å; I313-V318 HydrophobicContact CG2-CG1 3.63Å; P315-V318 VanDerWaalsContact O-CG2 3.32Å; P315-V318 WeakPolarHBondContact O-CG2 3.4Å; P315-V318 PolarHBondContact O-N 2.82Å; E316-V318 PolarHBondContact O-N 3.12Å; V318-V320 HydrophobicContact CG2-CG2 4.08Å |
| 319 | G | 89.6 | Confident | 79.8 | Confident | 6 Ų | 6 | 60.3 Ų | 60.3 | 6% | 0.062 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 102.6 | 9.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | N263 P315 E316 | N263-G319 WeakPolarHBondContact O-CA 3.46Å; P315-G319 PolarHBondContact O-N 3.18Å; E316-G319 PolarHBondContact O-N 3.44Å |
| 320 | V | 83 | Confident | 79.4 | Confident | 37 Ų | 37 | 62 Ų | 62 | 22% | 0.224 | 31% | 0.314 | C | S | . | . | trans | -75.4 | 128.6 | 173 | -178.4 | 0 | 0 | 0 | 0 | 108.9 | V266 F292 P315 V318 H322 | V266-V320 HydrophobicContact CG1-CG2 4.48Å; V266-V320 HydrophobicContact CG2-CG2 3.82Å; F292-V320 HydrophobicContact CD2-CG2 4.2Å; F292-V320 HydrophobicContact CE2-CG2 3.89Å; P315-V320 HydrophobicContact CB-CB 3.61Å; P315-V320 HydrophobicContact CB-CG1 3.93Å; P315-V320 HydrophobicContact CB-CG2 4.34Å; P315-V320 WeakPolarHBondContact O-CB 3.33Å; P315-V320 PolarHBondContact O-N 3.14Å; V318-V320 HydrophobicContact CG2-CG2 4.08Å; V320-H322 WeakPolarHBondContact CG1-O 3.42Å | ||
| 321 | K | 67.7 | Low | 79.2 | Confident | 179 Ų | 179 | 57.7 Ų | 57.7 | 78% | 0.778 | 30% | 0.297 | S | S | * | . | trans | -93.3 | -16.3 | -175.8 | -67.5 | -176.1 | 179.8 | 177.1 | 0 | 114.8 | ||||
| 322 | H | 57.1 | Low | 79.1 | Confident | 165 Ų | 165 | 57.7 Ų | 57.7 | 76% | 0.764 | 30% | 0.302 | S | S | * | . | trans | -134.3 | 118 | -176.2 | -68 | -71.8 | 0 | 0 | 0 | 109.7 | V320 | V320-H322 WeakPolarHBondContact CG1-O 3.42Š| ||
| 323 | N | 55.6 | Low | 78.8 | Confident | 80 Ų | 80 | 57.2 Ų | 57.2 | 43% | 0.428 | 29% | 0.292 | S | S | . | . | trans | -82.9 | 123.4 | 169.8 | -140.3 | 5.6 | 0 | 0 | 0 | 107.7 | P315 | P315-N323 HydrophobicContact CG-CB 4.35Å; P315-N323 VanDerWaalsContact CG-CG 3.5Å; P315-N323 WeakPolarHBondContact CG-OD1 3.13Å | ||
| 324 | S | 59.5 | Low | 78.5 | Confident | 74 Ų | 74 | 59.1 Ų | 59.1 | 52% | 0.517 | 30% | 0.3 | S | S | . | . | trans | -100.2 | 134.6 | 172.6 | 68.8 | 0 | 0 | 0 | 0 | 109 | P326 | S324-P326 WeakPolarHBondContact O-CD 3.42Š| ||
| 325 | L | 68.3 | Low | 78.2 | Confident | 26 Ų | 26 | 56.4 Ų | 56.4 | 14% | 0.136 | 28% | 0.283 | C | S | . | . | trans | -97.3 | 84.4 | 168.9 | -167.9 | 75.8 | 0 | 0 | 0 | 108.3 | Q300 L327 A335 | Q300-L325 HydrophobicContact CB-CD1 4.46Å; Q300-L325 HydrophobicContact CG-CD1 4.07Å; L325-L327 PolarHBondContact O-N 3.04Å; L325-A335 HydrophobicContact CD2-CB 4.29Å | ||
| 326 | P | 70.1 | Confident | 78.2 | Confident | 48 Ų | 48 | 56.4 Ų | 56.4 | 31% | 0.312 | 28% | 0.283 | S | S | . | . | trans | -65.3 | 131.4 | -179.7 | 26.2 | -33.6 | 0 | 0 | 0 | 110 | Q300 S324 | Q300-P326 PolarHBondContact NE2-O 3.35Å; S324-P326 WeakPolarHBondContact O-CD 3.42Å | ||
| 327 | L | 76.3 | Confident | 78.1 | Confident | 9 Ų | 9 | 52.5 Ų | 52.5 | 5% | 0.047 | 27% | 0.266 | C | S | . | . | B | Isolated β-bridge | trans | -94.7 | 139.4 | 170.7 | -68.2 | -175.2 | 0 | 0 | 0 | 110.1 | L325 S331 A335 F336 K339 F359 I369 I374 | L325-L327 PolarHBondContact O-N 3.04Å; L327-S331 WeakPolarHBondContact CA-OG 3.27Å; L327-A335 HydrophobicContact CD2-CB 4.19Å; L327-F336 HydrophobicContact CD1-CD2 3.97Å; L327-K339 HydrophobicContact CD1-CB 3.64Å; L327-K339 HydrophobicContact CD1-CG 3.55Å; L327-K339 HydrophobicContact CD2-CB 4.39Å; L327-K339 HydrophobicContact CG-CB 4.14Å; L327-K339 HydrophobicContact CG-CG 4.01Å; L327-F359 HydrophobicContact CB-CE2 3.83Å; L327-F359 HydrophobicContact CB-CZ 3.94Å; L327-F359 HydrophobicContact CD1-CE2 4.16Å; L327-F359 HydrophobicContact CD1-CZ 4.47Å; L327-I369 HydrophobicContact CB-CB 4.44Å; L327-I369 WeakPolarHBondContact O-CB 3.35Å; L327-I374 HydrophobicContact CD1-CD1 3.41Å; L327-I374 VanDerWaalsContact CD1-CD1 3.41Å; L327-I374 HydrophobicContact CD1-CG1 3.94Å |
| 328 | G | 78.1 | Confident | 77.6 | Confident | 4 Ų | 4 | 52.5 Ų | 52.5 | 4% | 0.041 | 27% | 0.265 | C | S | . | . | trans | -154.2 | -170 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | E295 L330 S331 F359 | E295-G328 WeakPolarHBondContact OE1-CA 3.47Å; G328-L330 PolarHBondContact O-N 3.48Å; G328-L330 VanDerWaalsContact O-N 3.11Å; G328-S331 PolarHBondContact N-OG 2.95Å; G328-S331 WeakPolarHBondContact O-CB 3.35Å; G328-S331 PolarHBondContact O-N 3.26Å; G328-S331 PolarHBondContact O-OG 3.44Å; G328-F359 VanDerWaalsContact O-CZ 3.22Å; G328-F359 WeakPolarHBondContact O-CZ 3.23Å | ||
| 329 | K | 79.2 | Confident | 76.9 | Confident | 103 Ų | 103 | 53.2 Ų | 53.2 | 45% | 0.448 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -30.4 | -176.6 | 178.6 | 171.3 | 171.6 | 135.2 | 0 | 111.6 | E295 K360 A363 D364 | E295-K329 PolarHBondContact OE1-N 3.45Å; K329-K360 PolarHBondContact O-NZ 3.3Å; K329-A363 HydrophobicContact CB-CB 4.37Å; K329-D364 WeakPolarHBondContact CD-OD1 3.44Å; K329-D364 WeakPolarHBondContact CE-OD1 3.12Å; K329-D364 IonicContact NZ-OD1 3.68Å; K329-D364 PolarHBondContact NZ-OD1 3.42Å |
| 330 | L | 79.7 | Confident | 76.5 | Confident | 105 Ų | 105 | 52.9 Ų | 52.9 | 55% | 0.55 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -5.4 | -178 | -59.9 | 179.2 | 0 | 0 | 0 | 114.2 | E295 G297 G328 | E295-L330 HydrophobicContact CG-CB 4.22Å; E295-L330 CarbonylContact O-C 3.2Å; E295-L330 PolarHBondContact OE1-N 2.89Å; G297-L330 PolarHBondContact N-O 2.88Å; G328-L330 PolarHBondContact O-N 3.48Å; G328-L330 VanDerWaalsContact O-N 3.11Å |
| 331 | S | 81.9 | Confident | 76.4 | Confident | 1 Ų | 1 | 56.4 Ų | 56.4 | 1% | 0.007 | 28% | 0.277 | C | S | . | . | trans | -67.8 | 145.1 | -174.2 | -56.6 | 0 | 0 | 0 | 0 | 113 | E295 Q300 L327 G328 | E295-S331 WeakPolarHBondContact O-CA 3.37Å; E295-S331 PolarHBondContact O-N 2.85Å; E295-S331 VanDerWaalsContact O-N 3.1Å; E295-S331 PolarHBondContact O-OG 3.14Å; E295-S331 VanDerWaalsContact O-OG 3.07Å; Q300-S331 PolarHBondContact NE2-OG 2.58Å; Q300-S331 VanDerWaalsContact OE1-CB 3.24Å; Q300-S331 PolarHBondContact OE1-OG 3.16Å; L327-S331 WeakPolarHBondContact CA-OG 3.27Å; G328-S331 PolarHBondContact N-OG 2.95Å; G328-S331 WeakPolarHBondContact O-CB 3.35Å; G328-S331 PolarHBondContact O-N 3.26Å; G328-S331 PolarHBondContact O-OG 3.44Å | ||
| 332 | G | 84.1 | Confident | 76.7 | Confident | 16 Ų | 16 | 52.9 Ų | 52.9 | 17% | 0.165 | 26% | 0.263 | C | S | . | . | trans | -93.6 | 166 | -172.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | G297 H334 A335 F336 | G297-G332 VanDerWaalsContact CA-CA 3.48Å; G332-H334 VanDerWaalsContact C-N 3.25Å; G332-H334 PolarHBondContact O-N 3Å; G332-A335 PolarHBondContact O-N 3.29Å; G332-F336 WeakPolarHBondContact O-CB 3.45Å; G332-F336 PolarHBondContact O-N 3.08Å | ||
| 333 | R | 85.3 | Confident | 77.2 | Confident | 116 Ų | 116 | 45.6 Ų | 45.6 | 44% | 0.438 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -58.5 | -38.6 | 178.4 | -175 | 177.9 | 174.4 | 177.3 | -0.6 | 111.9 | V337 I352 F356 | R333-V337 WeakPolarHBondContact O-CB 3.48Å; R333-V337 VanDerWaalsContact O-CG2 3.23Å; R333-V337 WeakPolarHBondContact O-CG2 3.46Å; R333-V337 PolarHBondContact O-N 2.67Å; R333-I352 HydrophobicContact CG-CG2 3.8Å; R333-F356 HydrophobicContact CB-CD1 4.28Å; R333-F356 HydrophobicContact CB-CD2 4.3Å; R333-F356 HydrophobicContact CB-CE1 4.24Å; R333-F356 HydrophobicContact CB-CE2 4.27Å; R333-F356 HydrophobicContact CB-CG 4.31Å; R333-F356 HydrophobicContact CB-CZ 4.23Å; R333-F356 HydrophobicContact CG-CG 4.39Å |
| 334 | H | 83.1 | Confident | 77.8 | Confident | 68 Ų | 68 | 48.6 Ų | 48.6 | 32% | 0.315 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -66.4 | -47.2 | -179.7 | -169.2 | 49.4 | 0 | 0 | 0 | 112 | D301 G332 F336 V337 E338 | D301-H334 HydrophobicContact CB-CB 4.44Å; D301-H334 IonicContact OD1-CD2 3.34Å; D301-H334 PolarHBondContact OD1-CD2 2.94Å; D301-H334 IonicContact OD1-CG 3.68Å; G332-H334 VanDerWaalsContact C-N 3.25Å; G332-H334 PolarHBondContact O-N 3Å; H334-F336 VanDerWaalsContact C-N 3.34Å; H334-F336 PolarHBondContact O-N 3.41Å; H334-V337 WeakPolarHBondContact O-CB 3.31Å; H334-V337 PolarHBondContact O-N 2.89Å; H334-V337 VanDerWaalsContact O-N 3.12Å; H334-E338 IonicContact CE1-OE1 3.55Å; H334-E338 PolarHBondContact O-N 2.75Å |
| 335 | A | 82.5 | Confident | 78.1 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.3 | -40.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q300 L325 L327 G332 V337 E338 K339 | Q300-A335 HydrophobicContact CB-CB 3.51Å; Q300-A335 HydrophobicContact CG-CB 3.93Å; L325-A335 HydrophobicContact CD2-CB 4.29Å; L327-A335 HydrophobicContact CD2-CB 4.19Å; G332-A335 PolarHBondContact O-N 3.29Å; A335-V337 VanDerWaalsContact C-N 3.33Å; A335-E338 PolarHBondContact O-N 3.18Å; A335-K339 WeakPolarHBondContact O-CB 3.28Å; A335-K339 PolarHBondContact O-N 3.36Å |
| 336 | F | 86.1 | Confident | 77.7 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.6 | -45.5 | 172.7 | 179.2 | -108.3 | 0 | 0 | 0 | 110.9 | L327 G332 H334 K339 L340 L355 F356 F359 I374 | L327-F336 HydrophobicContact CD1-CD2 3.97Å; G332-F336 WeakPolarHBondContact O-CB 3.45Å; G332-F336 PolarHBondContact O-N 3.08Å; H334-F336 VanDerWaalsContact C-N 3.34Å; H334-F336 PolarHBondContact O-N 3.41Å; F336-K339 PolarHBondContact O-N 3.07Å; F336-L340 HydrophobicContact CD1-CD1 4.05Å; F336-L340 HydrophobicContact CD1-CG 4.44Å; F336-L340 HydrophobicContact CE1-CD1 3.61Å; F336-L340 HydrophobicContact CE1-CG 4.16Å; F336-L340 HydrophobicContact CE2-CD2 4.41Å; F336-L340 HydrophobicContact CZ-CD1 4.03Å; F336-L340 HydrophobicContact CZ-CD2 4.12Å; F336-L340 HydrophobicContact CZ-CG 4.21Å; F336-L340 WeakPolarHBondContact O-CG 3.42Å; F336-L340 PolarHBondContact O-N 2.83Å; F336-L355 HydrophobicContact CE1-CB 3.76Å; F336-L355 HydrophobicContact CZ-CB 3.99Å; F336-F356 HydrophobicContact CB-CD2 3.82Å; F336-F356 HydrophobicContact CB-CE2 4.13Å; F336-F356 HydrophobicContact CD1-CB 4.13Å; F336-F356 AromaticContact CD1-CD2 3.9Å; F336-F356 HydrophobicContact CD1-CD2 3.9Å; F336-F356 HydrophobicContact CE1-CB 4.31Å; F336-F356 AromaticContact CG-CD2 3.91Å; F336-F356 HydrophobicContact CG-CD2 3.91Å; F336-F359 HydrophobicContact CD2-CB 4Å; F336-F359 AromaticContact CD2-CD1 3.97Å; F336-F359 HydrophobicContact CD2-CD1 3.97Å; F336-F359 AromaticContact CD2-CD2 3.95Å; F336-F359 HydrophobicContact CD2-CD2 3.95Å; F336-F359 HydrophobicContact CD2-CE1 4.48Å; F336-F359 HydrophobicContact CD2-CE2 4.46Å; F336-F359 AromaticContact CD2-CG 3.67Å; F336-F359 HydrophobicContact CD2-CG 3.67Å; F336-F359 HydrophobicContact CE2-CB 3.59Å; F336-F359 HydrophobicContact CE2-CD1 4.43Å; F336-F359 AromaticContact CE2-CD2 3.98Å; F336-F359 HydrophobicContact CE2-CD2 3.98Å; F336-F359 AromaticContact CE2-CG 3.73Å; F336-F359 HydrophobicContact CE2-CG 3.73Å; F336-F359 HydrophobicContact CG-CD1 4.38Å; F336-F359 HydrophobicContact CG-CG 4.46Å; F336-F359 HydrophobicContact CZ-CB 3.99Å; F336-I374 HydrophobicContact CD2-CD1 4.15Å; F336-I374 HydrophobicContact CE2-CD1 3.82Å; F336-I374 HydrophobicContact CE2-CG2 4.2Å |
| 337 | V | 85.9 | Confident | 77.7 | Confident | 16 Ų | 16 | 48 Ų | 48 | 10% | 0.097 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.2 | -42.6 | 176.3 | 168.4 | 0 | 0 | 0 | 0 | 112.3 | R333 H334 A335 K339 L340 K341 F347 I352 | R333-V337 WeakPolarHBondContact O-CB 3.48Å; R333-V337 VanDerWaalsContact O-CG2 3.23Å; R333-V337 WeakPolarHBondContact O-CG2 3.46Å; R333-V337 PolarHBondContact O-N 2.67Å; H334-V337 WeakPolarHBondContact O-CB 3.31Å; H334-V337 PolarHBondContact O-N 2.89Å; H334-V337 VanDerWaalsContact O-N 3.12Å; A335-V337 VanDerWaalsContact C-N 3.33Å; V337-K339 VanDerWaalsContact C-N 3.33Å; V337-L340 WeakPolarHBondContact O-CB 3.24Å; V337-L340 PolarHBondContact O-N 2.85Å; V337-K341 HydrophobicContact CG1-CD 4.44Å; V337-K341 WeakPolarHBondContact O-CG 3.44Å; V337-K341 PolarHBondContact O-N 3.12Å; V337-F347 HydrophobicContact CG1-CE2 4.27Å; V337-F347 HydrophobicContact CG1-CZ 3.93Å; V337-I352 HydrophobicContact CG2-CD1 3.9Å; V337-I352 HydrophobicContact CG2-CG1 4.28Å; V337-I352 HydrophobicContact CG2-CG2 3.49Å; V337-I352 VanDerWaalsContact CG2-CG2 3.49Å |
| 338 | E | 83.1 | Confident | 77.5 | Confident | 50 Ų | 50 | 53.7 Ų | 53.7 | 23% | 0.234 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.2 | -38 | 176.1 | -68.9 | -52.3 | 124.6 | 0 | 0 | 111.5 | L304 H334 A335 K341 E342 | L304-E338 HydrophobicContact CD1-CB 4.02Å; L304-E338 HydrophobicContact CD1-CG 3.57Å; L304-E338 HydrophobicContact CD2-CB 4.18Å; L304-E338 HydrophobicContact CD2-CG 3.92Å; L304-E338 HydrophobicContact CG-CG 4.3Å; H334-E338 IonicContact CE1-OE1 3.55Å; H334-E338 PolarHBondContact O-N 2.75Å; A335-E338 PolarHBondContact O-N 3.18Å; E338-K341 WeakPolarHBondContact O-CB 3.39Å; E338-K341 PolarHBondContact O-N 3.03Å; E338-K341 IonicContact OE1-NZ 2.71Å; E338-K341 PolarHBondContact OE1-NZ 2.96Å; E338-E342 WeakPolarHBondContact O-CB 3.27Å; E338-E342 PolarHBondContact O-N 3.14Å |
| 339 | K | 79.7 | Confident | 77.4 | Confident | 14 Ų | 14 | 61 Ų | 61 | 6% | 0.061 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65.3 | -38.6 | 172.9 | -166.4 | 56.3 | 144.8 | 155.6 | 0 | 112.2 | L327 A335 F336 V337 K341 E342 L343 D371 | L327-K339 HydrophobicContact CD1-CB 3.64Å; L327-K339 HydrophobicContact CD1-CG 3.55Å; L327-K339 HydrophobicContact CD2-CB 4.39Å; L327-K339 HydrophobicContact CG-CB 4.14Å; L327-K339 HydrophobicContact CG-CG 4.01Å; A335-K339 WeakPolarHBondContact O-CB 3.28Å; A335-K339 PolarHBondContact O-N 3.36Å; F336-K339 PolarHBondContact O-N 3.07Å; V337-K339 VanDerWaalsContact C-N 3.33Å; K339-K341 VanDerWaalsContact C-N 3.3Å; K339-K341 PolarHBondContact O-N 3.26Å; K339-E342 HydrophobicContact CD-CB 4.44Å; K339-E342 VanDerWaalsContact CD-OE2 3.26Å; K339-E342 WeakPolarHBondContact CD-OE2 3.43Å; K339-E342 IonicContact NZ-OE1 2.75Å; K339-E342 PolarHBondContact NZ-OE1 2.75Å; K339-E342 IonicContact NZ-OE2 3.67Å; K339-E342 PolarHBondContact O-N 3.14Å; K339-L343 HydrophobicContact CD-CD1 4.45Å; K339-L343 HydrophobicContact CD-CG 4.35Å; K339-L343 HydrophobicContact CG-CD1 4.16Å; K339-L343 HydrophobicContact CG-CG 4.46Å; K339-L343 WeakPolarHBondContact O-CB 3.37Å; K339-L343 VanDerWaalsContact O-CG 3.22Å; K339-L343 WeakPolarHBondContact O-CG 3.26Å; K339-L343 PolarHBondContact O-N 2.8Å; K339-D371 WeakPolarHBondContact CE-OD1 3.3Å; K339-D371 IonicContact NZ-OD1 3.32Å; K339-D371 PolarHBondContact NZ-OD1 3.32Å; K339-D371 IonicContact NZ-OD2 3.69Å |
| 340 | L | 81 | Confident | 77.4 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.2 | -41.3 | 172.4 | -68.8 | -179.5 | 0 | 0 | 0 | 111.6 | F336 V337 E344 L345 F347 L355 I374 V378 | F336-L340 HydrophobicContact CD1-CD1 4.05Å; F336-L340 HydrophobicContact CD1-CG 4.44Å; F336-L340 HydrophobicContact CE1-CD1 3.61Å; F336-L340 HydrophobicContact CE1-CG 4.16Å; F336-L340 HydrophobicContact CE2-CD2 4.41Å; F336-L340 HydrophobicContact CZ-CD1 4.03Å; F336-L340 HydrophobicContact CZ-CD2 4.12Å; F336-L340 HydrophobicContact CZ-CG 4.21Å; F336-L340 WeakPolarHBondContact O-CG 3.42Å; F336-L340 PolarHBondContact O-N 2.83Å; V337-L340 WeakPolarHBondContact O-CB 3.24Å; V337-L340 PolarHBondContact O-N 2.85Å; L340-E344 PolarHBondContact O-N 2.67Å; L340-L345 HydrophobicContact CD2-CB 4.31Å; L340-L345 HydrophobicContact CD2-CD1 3.76Å; L340-L345 PolarHBondContact O-N 3.02Å; L340-F347 HydrophobicContact CB-CD1 3.71Å; L340-F347 HydrophobicContact CB-CE1 3.49Å; L340-F347 VanDerWaalsContact CB-CE1 3.49Å; L340-F347 HydrophobicContact CB-CZ 4.38Å; L340-F347 HydrophobicContact CD1-CB 4.5Å; L340-F347 HydrophobicContact CD1-CD1 3.72Å; L340-F347 HydrophobicContact CD1-CE1 4.08Å; L340-F347 HydrophobicContact CD1-CG 4.01Å; L340-F347 HydrophobicContact CG-CD1 4.32Å; L340-F347 HydrophobicContact CG-CE1 4.45Å; L340-L355 HydrophobicContact CD1-CD1 4.43Å; L340-I374 HydrophobicContact CD2-CG2 3.5Å; L340-I374 VanDerWaalsContact CD2-CG2 3.5Å; L340-V378 HydrophobicContact CD2-CG2 3.51Å |
| 341 | K | 79.2 | Confident | 77.3 | Confident | 111 Ų | 111 | 60 Ų | 60 | 48% | 0.483 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -67.7 | -43.6 | 175.2 | -67.5 | 171.5 | -175.6 | 171.4 | 0 | 112.3 | V337 E338 K339 L343 E344 F347 | V337-K341 HydrophobicContact CG1-CD 4.44Å; V337-K341 WeakPolarHBondContact O-CG 3.44Å; V337-K341 PolarHBondContact O-N 3.12Å; E338-K341 WeakPolarHBondContact O-CB 3.39Å; E338-K341 PolarHBondContact O-N 3.03Å; E338-K341 IonicContact OE1-NZ 2.71Å; E338-K341 PolarHBondContact OE1-NZ 2.96Å; K339-K341 VanDerWaalsContact C-N 3.3Å; K339-K341 PolarHBondContact O-N 3.26Å; K341-L343 VanDerWaalsContact C-N 3.27Å; K341-L343 PolarHBondContact O-N 2.82Å; K341-E344 PolarHBondContact O-N 2.79Å; K341-F347 HydrophobicContact CG-CE1 4.22Å; K341-F347 HydrophobicContact CG-CZ 4.13Å |
| 342 | E | 74.7 | Confident | 77.4 | Confident | 104 Ų | 104 | 60.4 Ų | 60.4 | 49% | 0.486 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -58.3 | -39.2 | 176 | -176.6 | -166.1 | 139.3 | 0 | 0 | 111.4 | E338 K339 E344 | E338-E342 WeakPolarHBondContact O-CB 3.27Å; E338-E342 PolarHBondContact O-N 3.14Å; K339-E342 HydrophobicContact CD-CB 4.44Å; K339-E342 VanDerWaalsContact CD-OE2 3.26Å; K339-E342 WeakPolarHBondContact CD-OE2 3.43Å; K339-E342 IonicContact NZ-OE1 2.75Å; K339-E342 PolarHBondContact NZ-OE1 2.75Å; K339-E342 IonicContact NZ-OE2 3.67Å; K339-E342 PolarHBondContact O-N 3.14Å; E342-E344 PolarHBondContact O-N 3.41Å |
| 343 | L | 68.1 | Low | 77.4 | Confident | 13 Ų | 13 | 62.5 Ų | 62.5 | 7% | 0.068 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | 2.7 | 177.4 | -63.9 | 178.6 | 0 | 0 | 0 | 114.1 | K339 K341 L345 D371 I374 R375 | K339-L343 HydrophobicContact CD-CD1 4.45Å; K339-L343 HydrophobicContact CD-CG 4.35Å; K339-L343 HydrophobicContact CG-CD1 4.16Å; K339-L343 HydrophobicContact CG-CG 4.46Å; K339-L343 WeakPolarHBondContact O-CB 3.37Å; K339-L343 VanDerWaalsContact O-CG 3.22Å; K339-L343 WeakPolarHBondContact O-CG 3.26Å; K339-L343 PolarHBondContact O-N 2.8Å; K341-L343 VanDerWaalsContact C-N 3.27Å; K341-L343 PolarHBondContact O-N 2.82Å; L343-L345 HydrophobicContact CB-CD1 3.91Å; L343-L345 HydrophobicContact CB-CG 3.94Å; L343-L345 HydrophobicContact CD1-CD1 4.15Å; L343-L345 PolarHBondContact O-N 3.18Å; L343-D371 HydrophobicContact CD1-CB 3.96Å; L343-D371 HydrophobicContact CD2-CB 3.72Å; L343-D371 VanDerWaalsContact CD2-CG 3.48Å; L343-I374 HydrophobicContact CD1-CB 3.97Å; L343-I374 HydrophobicContact CD1-CG2 3.91Å; L343-R375 PolarHBondContact O-NH1 2.92Å; L343-R375 PolarHBondContact O-NH2 2.81Å |
| 344 | E | 68.8 | Low | 77.4 | Confident | 142 Ų | 142 | 61.3 Ų | 61.3 | 66% | 0.664 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.2 | 36.8 | -177.8 | -56.9 | -175.9 | 163.4 | 0 | 0 | 112.8 | L340 K341 E342 | L340-E344 PolarHBondContact O-N 2.67Å; K341-E344 PolarHBondContact O-N 2.79Å; E342-E344 PolarHBondContact O-N 3.41Å |
| 345 | L | 64.9 | Low | 77.5 | Confident | 14 Ų | 14 | 58.7 Ų | 58.7 | 7% | 0.073 | 31% | 0.313 | C | S | . | . | trans | -86.3 | 128.7 | 178.7 | -67.7 | 170.9 | 0 | 0 | 0 | 110.5 | L340 L343 F347 I374 R375 V378 | L340-L345 HydrophobicContact CD2-CB 4.31Å; L340-L345 HydrophobicContact CD2-CD1 3.76Å; L340-L345 PolarHBondContact O-N 3.02Å; L343-L345 HydrophobicContact CB-CD1 3.91Å; L343-L345 HydrophobicContact CB-CG 3.94Å; L343-L345 HydrophobicContact CD1-CD1 4.15Å; L343-L345 PolarHBondContact O-N 3.18Å; L345-F347 WeakPolarHBondContact O-CD1 3.31Å; L345-I374 HydrophobicContact CD1-CG2 4.05Å; L345-R375 HydrophobicContact CD1-CG 4Å; L345-R375 HydrophobicContact CD2-CG 4.06Å; L345-R375 HydrophobicContact CG-CG 4.49Å; L345-V378 HydrophobicContact CD1-CG2 3.99Å | ||
| 346 | A | 59.3 | Low | 77.8 | Confident | 71 Ų | 71 | 60.7 Ų | 60.7 | 59% | 0.587 | 32% | 0.322 | S | S | * | . | trans | -72.9 | 131.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 347 | F | 71 | Confident | 77.8 | Confident | 51 Ų | 51 | 62.2 Ų | 62.2 | 22% | 0.224 | 34% | 0.338 | C | S | . | . | trans | -149.9 | 145.2 | 173.3 | 58.9 | -89.5 | 0 | 0 | 0 | 109.6 | V337 L340 K341 L345 I352 L355 | V337-F347 HydrophobicContact CG1-CE2 4.27Å; V337-F347 HydrophobicContact CG1-CZ 3.93Å; L340-F347 HydrophobicContact CB-CD1 3.71Å; L340-F347 HydrophobicContact CB-CE1 3.49Å; L340-F347 VanDerWaalsContact CB-CE1 3.49Å; L340-F347 HydrophobicContact CB-CZ 4.38Å; L340-F347 HydrophobicContact CD1-CB 4.5Å; L340-F347 HydrophobicContact CD1-CD1 3.72Å; L340-F347 HydrophobicContact CD1-CE1 4.08Å; L340-F347 HydrophobicContact CD1-CG 4.01Å; L340-F347 HydrophobicContact CG-CD1 4.32Å; L340-F347 HydrophobicContact CG-CE1 4.45Å; K341-F347 HydrophobicContact CG-CE1 4.22Å; K341-F347 HydrophobicContact CG-CZ 4.13Å; L345-F347 WeakPolarHBondContact O-CD1 3.31Å; F347-I352 HydrophobicContact CD2-CD1 3.94Å; F347-I352 HydrophobicContact CD2-CG1 3.61Å; F347-I352 HydrophobicContact CE2-CD1 3.72Å; F347-I352 HydrophobicContact CE2-CG1 3.9Å; F347-L355 HydrophobicContact CB-CD1 4.11Å | ||
| 348 | E | 71.7 | Confident | 77.6 | Confident | 129 Ų | 129 | 65.5 Ų | 65.5 | 60% | 0.603 | 35% | 0.351 | S | S | * | . | trans | -85 | 148.6 | 169.2 | -69.9 | -68 | 159.4 | 0 | 0 | 110.4 | S350 E351 I352 | E348-S350 PolarHBondContact O-N 3.08Å; E348-S350 VanDerWaalsContact O-N 3.1Å; E348-E351 HydrophobicContact CB-CG 4.02Å; E348-E351 PolarHBondContact N-OE2 3.44Å; E348-E351 WeakPolarHBondContact O-CB 3.33Å; E348-E351 PolarHBondContact O-N 3.41Å; E348-I352 PolarHBondContact O-N 3.24Å | ||
| 349 | E | 76.6 | Confident | 77.8 | Confident | 156 Ų | 156 | 63.1 Ų | 63.1 | 73% | 0.729 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -29 | 179.7 | -166.7 | 171 | -176 | 0 | 0 | 112.1 | E351 I352 | E349-E351 VanDerWaalsContact C-N 3.31Å; E349-E351 PolarHBondContact O-N 3.25Å; E349-I352 HydrophobicContact CB-CD1 4.42Å; E349-I352 HydrophobicContact CG-CD1 4.03Å |
| 350 | S | 79.6 | Confident | 78 | Confident | 97 Ų | 97 | 65.6 Ų | 65.6 | 68% | 0.678 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -25.5 | 172.7 | 52.9 | 0 | 0 | 0 | 0 | 114.2 | E348 | E348-S350 PolarHBondContact O-N 3.08Å; E348-S350 VanDerWaalsContact O-N 3.1Å |
| 351 | E | 77.3 | Confident | 78.1 | Confident | 91 Ų | 91 | 73 Ų | 73 | 43% | 0.425 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -23.1 | -176.8 | -66.3 | 176.7 | 141.6 | 0 | 0 | 112.8 | E348 E349 A353 T354 L355 | E348-E351 HydrophobicContact CB-CG 4.02Å; E348-E351 PolarHBondContact N-OE2 3.44Å; E348-E351 WeakPolarHBondContact O-CB 3.33Å; E348-E351 PolarHBondContact O-N 3.41Å; E349-E351 VanDerWaalsContact C-N 3.31Å; E349-E351 PolarHBondContact O-N 3.25Å; E351-A353 PolarHBondContact O-N 3.13Å; E351-A353 VanDerWaalsContact O-N 3.12Å; E351-T354 WeakPolarHBondContact O-CB 3.32Å; E351-T354 PolarHBondContact O-N 2.68Å; E351-L355 HydrophobicContact CB-CD1 4.18Å; E351-L355 HydrophobicContact CB-CG 4.46Å; E351-L355 PolarHBondContact O-N 2.93Å |
| 352 | I | 84.1 | Confident | 78 | Confident | 10 Ų | 10 | 69.7 Ų | 69.7 | 5% | 0.051 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -54.4 | -39.9 | -174.1 | -58.5 | 171.9 | 0 | 0 | 0 | 111.6 | R333 V337 F347 E348 E349 T354 F356 | R333-I352 HydrophobicContact CG-CG2 3.8Å; V337-I352 HydrophobicContact CG2-CD1 3.9Å; V337-I352 HydrophobicContact CG2-CG1 4.28Å; V337-I352 HydrophobicContact CG2-CG2 3.49Å; V337-I352 VanDerWaalsContact CG2-CG2 3.49Å; F347-I352 HydrophobicContact CD2-CD1 3.94Å; F347-I352 HydrophobicContact CD2-CG1 3.61Å; F347-I352 HydrophobicContact CE2-CD1 3.72Å; F347-I352 HydrophobicContact CE2-CG1 3.9Å; E348-I352 PolarHBondContact O-N 3.24Å; E349-I352 HydrophobicContact CB-CD1 4.42Å; E349-I352 HydrophobicContact CG-CD1 4.03Å; I352-T354 VanDerWaalsContact C-N 3.34Å; I352-T354 PolarHBondContact O-N 2.94Å; I352-F356 WeakPolarHBondContact O-CB 3.26Å; I352-F356 PolarHBondContact O-N 3Å |
| 353 | A | 84.5 | Confident | 78.1 | Confident | 59 Ų | 59 | 65 Ų | 65 | 49% | 0.488 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.5 | -40.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | E351 G357 | E351-A353 PolarHBondContact O-N 3.13Å; E351-A353 VanDerWaalsContact O-N 3.12Å; A353-G357 PolarHBondContact O-N 3.48Å |
| 354 | T | 84.9 | Confident | 78.6 | Confident | 91 Ų | 91 | 68.7 Ų | 68.7 | 56% | 0.558 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -70.7 | -48.9 | 178.3 | -57.6 | 0 | 0 | 0 | 0 | 111 | E351 I352 F356 G357 K358 | E351-T354 WeakPolarHBondContact O-CB 3.32Å; E351-T354 PolarHBondContact O-N 2.68Å; I352-T354 VanDerWaalsContact C-N 3.34Å; I352-T354 PolarHBondContact O-N 2.94Å; T354-F356 PolarHBondContact O-N 3.38Å; T354-G357 PolarHBondContact O-N 3.39Å; T354-G357 VanDerWaalsContact O-N 3.15Å; T354-K358 PolarHBondContact O-N 3.22Å |
| 355 | L | 84.2 | Confident | 78.8 | Confident | 13 Ų | 13 | 69.8 Ų | 69.8 | 7% | 0.068 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -60.7 | -45.2 | 178.7 | -69.7 | 175.3 | 0 | 0 | 0 | 111.5 | F336 L340 F347 E351 G357 K358 F359 L377 V378 | F336-L355 HydrophobicContact CE1-CB 3.76Å; F336-L355 HydrophobicContact CZ-CB 3.99Å; L340-L355 HydrophobicContact CD1-CD1 4.43Å; F347-L355 HydrophobicContact CB-CD1 4.11Å; E351-L355 HydrophobicContact CB-CD1 4.18Å; E351-L355 HydrophobicContact CB-CG 4.46Å; E351-L355 PolarHBondContact O-N 2.93Å; L355-G357 VanDerWaalsContact C-N 3.3Å; L355-G357 PolarHBondContact O-N 3.16Å; L355-K358 PolarHBondContact O-N 2.84Å; L355-K358 VanDerWaalsContact O-N 3.17Å; L355-F359 WeakPolarHBondContact O-CB 3.46Å; L355-F359 PolarHBondContact O-N 2.86Å; L355-L377 WeakPolarHBondContact CD2-O 3.46Å; L355-V378 HydrophobicContact CD1-CG2 4.22Å; L355-V378 HydrophobicContact CD2-CG2 4.37Å |
| 356 | F | 88.3 | Confident | 78.9 | Confident | 42 Ų | 42 | 72.2 Ų | 72.2 | 18% | 0.184 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -61.9 | -39.2 | 175.5 | -173.2 | -112.2 | 0 | 0 | 0 | 111.5 | R333 F336 I352 T354 K358 F359 K360 | R333-F356 HydrophobicContact CB-CD1 4.28Å; R333-F356 HydrophobicContact CB-CD2 4.3Å; R333-F356 HydrophobicContact CB-CE1 4.24Å; R333-F356 HydrophobicContact CB-CE2 4.27Å; R333-F356 HydrophobicContact CB-CG 4.31Å; R333-F356 HydrophobicContact CB-CZ 4.23Å; R333-F356 HydrophobicContact CG-CG 4.39Å; F336-F356 HydrophobicContact CB-CD2 3.82Å; F336-F356 HydrophobicContact CB-CE2 4.13Å; F336-F356 HydrophobicContact CD1-CB 4.13Å; F336-F356 AromaticContact CD1-CD2 3.9Å; F336-F356 HydrophobicContact CD1-CD2 3.9Å; F336-F356 HydrophobicContact CE1-CB 4.31Å; F336-F356 AromaticContact CG-CD2 3.91Å; F336-F356 HydrophobicContact CG-CD2 3.91Å; I352-F356 WeakPolarHBondContact O-CB 3.26Å; I352-F356 PolarHBondContact O-N 3Å; T354-F356 PolarHBondContact O-N 3.38Å; F356-K358 PolarHBondContact O-N 3.39Å; F356-F359 AromaticContact CD2-CD1 3.81Å; F356-F359 HydrophobicContact CD2-CD1 3.81Å; F356-F359 HydrophobicContact CD2-CE1 4.43Å; F356-F359 AromaticContact CE2-CD1 3.81Å; F356-F359 HydrophobicContact CE2-CD1 3.81Å; F356-F359 HydrophobicContact CE2-CE1 4.01Å; F356-F359 WeakPolarHBondContact O-CB 3.34Å; F356-F359 PolarHBondContact O-N 2.87Å; F356-K360 HydrophobicContact CD1-CG 4.3Å; F356-K360 HydrophobicContact CE1-CD 4.24Å; F356-K360 HydrophobicContact CE1-CG 3.99Å; F356-K360 HydrophobicContact CE2-CD 4.28Å; F356-K360 HydrophobicContact CE2-CG 4.37Å; F356-K360 HydrophobicContact CZ-CD 3.86Å; F356-K360 HydrophobicContact CZ-CG 4.03Å; F356-K360 VanDerWaalsContact O-CG 3.25Å; F356-K360 WeakPolarHBondContact O-CG 3.45Å; F356-K360 PolarHBondContact O-N 2.89Å |
| 357 | G | 86 | Confident | 79 | Confident | 33 Ų | 33 | 78.3 Ų | 78.3 | 34% | 0.34 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -60.7 | -41.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | A353 T354 L355 K361 | A353-G357 PolarHBondContact O-N 3.48Å; T354-G357 PolarHBondContact O-N 3.39Å; T354-G357 VanDerWaalsContact O-N 3.15Å; L355-G357 VanDerWaalsContact C-N 3.3Å; L355-G357 PolarHBondContact O-N 3.16Å; G357-K361 PolarHBondContact O-N 2.75Å |
| 358 | K | 83.3 | Confident | 78.9 | Confident | 84 Ų | 84 | 81.9 Ų | 81.9 | 37% | 0.365 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -67.7 | -44.2 | 174.6 | -65.5 | -176 | 178.9 | -177 | 0 | 111.6 | T354 L355 F356 K360 K361 L362 L377 | T354-K358 PolarHBondContact O-N 3.22Å; L355-K358 PolarHBondContact O-N 2.84Å; L355-K358 VanDerWaalsContact O-N 3.17Å; F356-K358 PolarHBondContact O-N 3.39Å; K358-K360 VanDerWaalsContact C-N 3.32Å; K358-K360 PolarHBondContact O-N 2.85Å; K358-K361 WeakPolarHBondContact O-CB 3.44Å; K358-K361 PolarHBondContact O-N 3.32Å; K358-K361 VanDerWaalsContact O-N 3.14Å; K358-L362 PolarHBondContact O-N 2.84Å; K358-L377 HydrophobicContact CB-CD2 3.52Å |
| 359 | F | 85.9 | Confident | 78.9 | Confident | 0 Ų | 0 | 76.4 Ų | 76.4 | 0% | 0 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -53.8 | -47.5 | 174 | 162.9 | -105.5 | 0 | 0 | 0 | 111.8 | L327 G328 F336 L355 F356 K361 L362 A363 I369 I374 L377 | L327-F359 HydrophobicContact CB-CE2 3.83Å; L327-F359 HydrophobicContact CB-CZ 3.94Å; L327-F359 HydrophobicContact CD1-CE2 4.16Å; L327-F359 HydrophobicContact CD1-CZ 4.47Å; G328-F359 VanDerWaalsContact O-CZ 3.22Å; G328-F359 WeakPolarHBondContact O-CZ 3.23Å; F336-F359 HydrophobicContact CD2-CB 4Å; F336-F359 AromaticContact CD2-CD1 3.97Å; F336-F359 HydrophobicContact CD2-CD1 3.97Å; F336-F359 AromaticContact CD2-CD2 3.95Å; F336-F359 HydrophobicContact CD2-CD2 3.95Å; F336-F359 HydrophobicContact CD2-CE1 4.48Å; F336-F359 HydrophobicContact CD2-CE2 4.46Å; F336-F359 AromaticContact CD2-CG 3.67Å; F336-F359 HydrophobicContact CD2-CG 3.67Å; F336-F359 HydrophobicContact CE2-CB 3.59Å; F336-F359 HydrophobicContact CE2-CD1 4.43Å; F336-F359 AromaticContact CE2-CD2 3.98Å; F336-F359 HydrophobicContact CE2-CD2 3.98Å; F336-F359 AromaticContact CE2-CG 3.73Å; F336-F359 HydrophobicContact CE2-CG 3.73Å; F336-F359 HydrophobicContact CG-CD1 4.38Å; F336-F359 HydrophobicContact CG-CG 4.46Å; F336-F359 HydrophobicContact CZ-CB 3.99Å; L355-F359 WeakPolarHBondContact O-CB 3.46Å; L355-F359 PolarHBondContact O-N 2.86Å; F356-F359 AromaticContact CD2-CD1 3.81Å; F356-F359 HydrophobicContact CD2-CD1 3.81Å; F356-F359 HydrophobicContact CD2-CE1 4.43Å; F356-F359 AromaticContact CE2-CD1 3.81Å; F356-F359 HydrophobicContact CE2-CD1 3.81Å; F356-F359 HydrophobicContact CE2-CE1 4.01Å; F356-F359 WeakPolarHBondContact O-CB 3.34Å; F356-F359 PolarHBondContact O-N 2.87Å; F359-K361 VanDerWaalsContact C-N 3.32Å; F359-K361 PolarHBondContact O-N 2.91Å; F359-L362 PolarHBondContact O-N 3.19Å; F359-L362 VanDerWaalsContact O-N 3.11Å; F359-A363 HydrophobicContact CE2-CB 4.27Å; F359-A363 HydrophobicContact CZ-CB 4.31Å; F359-A363 WeakPolarHBondContact O-CB 3.47Å; F359-A363 PolarHBondContact O-N 2.68Å; F359-I369 HydrophobicContact CD2-CG2 4.42Å; F359-I369 HydrophobicContact CE2-CB 4.43Å; F359-I369 HydrophobicContact CE2-CG1 4.16Å; F359-I369 HydrophobicContact CE2-CG2 4.08Å; F359-I374 HydrophobicContact CD2-CD1 3.73Å; F359-I374 HydrophobicContact CE2-CD1 4Å; F359-L377 HydrophobicContact CB-CD1 3.87Å; F359-L377 HydrophobicContact CD2-CD1 4.21Å |
| 360 | K | 84.9 | Confident | 78.7 | Confident | 67 Ų | 67 | 69.5 Ų | 69.5 | 29% | 0.291 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -59.9 | -40.9 | 177.8 | -70.7 | -66.9 | -64.3 | -170.1 | 0 | 112.4 | K329 F356 K358 D364 | K329-K360 PolarHBondContact O-NZ 3.3Å; F356-K360 HydrophobicContact CD1-CG 4.3Å; F356-K360 HydrophobicContact CE1-CD 4.24Å; F356-K360 HydrophobicContact CE1-CG 3.99Å; F356-K360 HydrophobicContact CE2-CD 4.28Å; F356-K360 HydrophobicContact CE2-CG 4.37Å; F356-K360 HydrophobicContact CZ-CD 3.86Å; F356-K360 HydrophobicContact CZ-CG 4.03Å; F356-K360 VanDerWaalsContact O-CG 3.25Å; F356-K360 WeakPolarHBondContact O-CG 3.45Å; F356-K360 PolarHBondContact O-N 2.89Å; K358-K360 VanDerWaalsContact C-N 3.32Å; K358-K360 PolarHBondContact O-N 2.85Å; K360-D364 WeakPolarHBondContact O-CB 3.48Å; K360-D364 PolarHBondContact O-N 2.94Å |
| 361 | K | 82.3 | Confident | 78.4 | Confident | 156 Ų | 156 | 67.3 Ų | 67.3 | 68% | 0.678 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -65 | -38.4 | 174.8 | -70.6 | -179.7 | 179.4 | -176.6 | 0 | 112.5 | G357 K358 F359 D364 | G357-K361 PolarHBondContact O-N 2.75Å; K358-K361 WeakPolarHBondContact O-CB 3.44Å; K358-K361 PolarHBondContact O-N 3.32Å; K358-K361 VanDerWaalsContact O-N 3.14Å; F359-K361 VanDerWaalsContact C-N 3.32Å; F359-K361 PolarHBondContact O-N 2.91Å; K361-D364 PolarHBondContact O-N 2.92Å |
| 362 | L | 77.2 | Confident | 77.7 | Confident | 41 Ų | 41 | 63 Ų | 63 | 22% | 0.215 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -69 | -46.2 | 177.6 | -175.4 | 61.7 | 0 | 0 | 0 | 111.1 | K358 F359 D364 K365 K366 I369 D373 L377 | K358-L362 PolarHBondContact O-N 2.84Å; F359-L362 PolarHBondContact O-N 3.19Å; F359-L362 VanDerWaalsContact O-N 3.11Å; L362-D364 PolarHBondContact O-N 3.4Å; L362-K365 CarbonylContact O-C 3.48Å; L362-K365 PolarHBondContact O-N 3.14Å; L362-K366 PolarHBondContact O-N 3.17Å; L362-I369 HydrophobicContact CB-CD1 4.42Å; L362-I369 HydrophobicContact CD2-CD1 4.07Å; L362-I369 HydrophobicContact CG-CD1 3.78Å; L362-D373 HydrophobicContact CD2-CB 3.69Å; L362-L377 HydrophobicContact CB-CD1 4.41Å; L362-L377 HydrophobicContact CB-CD2 4.34Å; L362-L377 HydrophobicContact CD2-CD1 3.7Å; L362-L377 HydrophobicContact CD2-CD2 4.22Å; L362-L377 HydrophobicContact CD2-CG 3.95Å |
| 363 | A | 77.5 | Confident | 77.1 | Confident | 6 Ų | 6 | 63 Ų | 63 | 5% | 0.05 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -66 | -20.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | K329 F359 K365 I369 | K329-A363 HydrophobicContact CB-CB 4.37Å; F359-A363 HydrophobicContact CE2-CB 4.27Å; F359-A363 HydrophobicContact CZ-CB 4.31Å; F359-A363 WeakPolarHBondContact O-CB 3.47Å; F359-A363 PolarHBondContact O-N 2.68Å; A363-K365 VanDerWaalsContact C-N 3.31Å; A363-I369 HydrophobicContact CB-CD1 4.16Å; A363-I369 HydrophobicContact CB-CG1 4.02Å |
| 364 | D | 77.6 | Confident | 76.6 | Confident | 90 Ų | 90 | 60.3 Ų | 60.3 | 48% | 0.481 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -72.1 | -24.3 | 168.9 | -84.3 | -29.3 | 0 | 0 | 0 | 113.1 | K329 K360 K361 L362 | K329-D364 WeakPolarHBondContact CD-OD1 3.44Å; K329-D364 WeakPolarHBondContact CE-OD1 3.12Å; K329-D364 IonicContact NZ-OD1 3.68Å; K329-D364 PolarHBondContact NZ-OD1 3.42Å; K360-D364 WeakPolarHBondContact O-CB 3.48Å; K360-D364 PolarHBondContact O-N 2.94Å; K361-D364 PolarHBondContact O-N 2.92Å; L362-D364 PolarHBondContact O-N 3.4Å |
| 365 | K | 72.8 | Confident | 75.7 | Confident | 164 Ų | 164 | 57.4 Ų | 57.4 | 71% | 0.713 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -103.1 | -29.8 | -177.8 | -67.8 | -176.3 | 175.3 | -172.9 | 0 | 113.6 | L362 A363 E384 | L362-K365 CarbonylContact O-C 3.48Å; L362-K365 PolarHBondContact O-N 3.14Å; A363-K365 VanDerWaalsContact C-N 3.31Å; K365-E384 IonicContact NZ-OE1 2.61Å |
| 366 | K | 67.9 | Low | 74.7 | Confident | 65 Ų | 65 | 56.8 Ų | 56.8 | 28% | 0.283 | 27% | 0.272 | S | S | . | . | trans | -115.2 | 130.5 | -173.3 | -164.9 | -178.6 | -175.5 | -173.4 | 0 | 110.7 | L362 E368 I369 D373 | L362-K366 PolarHBondContact O-N 3.17Å; K366-E368 VanDerWaalsContact CD-O 3.22Å; K366-E368 WeakPolarHBondContact CD-O 2.97Å; K366-E368 WeakPolarHBondContact CE-O 3.45Å; K366-E368 WeakPolarHBondContact CG-O 3.27Å; K366-I369 HydrophobicContact CB-CD1 3.99Å; K366-I369 HydrophobicContact CD-CD1 4.29Å; K366-I369 HydrophobicContact CG-CD1 4.49Å; K366-D373 WeakPolarHBondContact CD-OD2 3.44Å; K366-D373 WeakPolarHBondContact CE-OD2 3.42Å; K366-D373 IonicContact NZ-OD1 3.23Å; K366-D373 PolarHBondContact NZ-OD1 2.73Å; K366-D373 IonicContact NZ-OD2 3.35Å; K366-D373 PolarHBondContact NZ-OD2 3.32Å | ||
| 367 | H | 62.3 | Low | 73.9 | Confident | 200 Ų | 200 | 55.6 Ų | 55.6 | 93% | 0.926 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -70.4 | -35.9 | -177.8 | -77.4 | -68.1 | 0 | 0 | 0 | 113.9 | ||
| 368 | E | 68 | Low | 73 | Confident | 126 Ų | 126 | 55.9 Ų | 55.9 | 59% | 0.589 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -124.6 | 117.9 | -179.8 | -175.6 | 175.6 | -179.3 | 0 | 0 | 108.7 | K366 | K366-E368 VanDerWaalsContact CD-O 3.22Å; K366-E368 WeakPolarHBondContact CD-O 2.97Å; K366-E368 WeakPolarHBondContact CE-O 3.45Å; K366-E368 WeakPolarHBondContact CG-O 3.27Å |
| 369 | I | 72.3 | Confident | 72 | Confident | 13 Ų | 13 | 53.9 Ų | 53.9 | 7% | 0.067 | 26% | 0.262 | C | S | . | . | B | Isolated β-bridge | trans | -93.8 | 118.2 | 175.7 | -55.6 | -65.8 | 0 | 0 | 0 | 108.2 | L327 F359 L362 A363 K366 D373 I374 | L327-I369 HydrophobicContact CB-CB 4.44Å; L327-I369 WeakPolarHBondContact O-CB 3.35Å; F359-I369 HydrophobicContact CD2-CG2 4.42Å; F359-I369 HydrophobicContact CE2-CB 4.43Å; F359-I369 HydrophobicContact CE2-CG1 4.16Å; F359-I369 HydrophobicContact CE2-CG2 4.08Å; L362-I369 HydrophobicContact CB-CD1 4.42Å; L362-I369 HydrophobicContact CD2-CD1 4.07Å; L362-I369 HydrophobicContact CG-CD1 3.78Å; A363-I369 HydrophobicContact CB-CD1 4.16Å; A363-I369 HydrophobicContact CB-CG1 4.02Å; K366-I369 HydrophobicContact CB-CD1 3.99Å; K366-I369 HydrophobicContact CD-CD1 4.29Å; K366-I369 HydrophobicContact CG-CD1 4.49Å; I369-D373 WeakPolarHBondContact CA-OD2 3.13Å; I369-D373 HydrophobicContact CG2-CB 3.78Å; I369-I374 HydrophobicContact CG2-CD1 3.54Å; I369-I374 HydrophobicContact CG2-CG1 3.94Å |
| 370 | T | 72.6 | Confident | 70.5 | Confident | 12 Ų | 12 | 56 Ų | 56 | 7% | 0.074 | 28% | 0.283 | C | S | . | . | trans | -93.5 | 165.3 | -178.9 | 74.6 | 0 | 0 | 0 | 0 | 110.5 | A372 D373 I374 N477 | T370-A372 PolarHBondContact O-N 3Å; T370-A372 PolarHBondContact OG1-N 3.04Å; T370-D373 PolarHBondContact N-OD2 3.09Å; T370-D373 WeakPolarHBondContact O-CB 3.22Å; T370-D373 PolarHBondContact O-N 2.77Å; T370-D373 VanDerWaalsContact O-N 3.09Å; T370-D373 PolarHBondContact OG1-N 2.75Å; T370-D373 PolarHBondContact OG1-OD2 2.8Å; T370-I374 PolarHBondContact O-N 2.75Å; T370-N477 HydrophobicContact CG2-CB 3.94Å; T370-N477 WeakPolarHBondContact CG2-ND2 3.43Å | ||
| 371 | D | 72.7 | Confident | 68.4 | Low | 50 Ų | 50 | 53.9 Ų | 53.9 | 27% | 0.267 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -57.9 | -35.9 | 175 | -66.5 | -20.7 | 0 | 0 | 0 | 111.7 | K339 L343 D373 I374 R375 | K339-D371 WeakPolarHBondContact CE-OD1 3.3Å; K339-D371 IonicContact NZ-OD1 3.32Å; K339-D371 PolarHBondContact NZ-OD1 3.32Å; K339-D371 IonicContact NZ-OD2 3.69Å; L343-D371 HydrophobicContact CD1-CB 3.96Å; L343-D371 HydrophobicContact CD2-CB 3.72Å; L343-D371 VanDerWaalsContact CD2-CG 3.48Å; D371-D373 PolarHBondContact O-N 2.95Å; D371-I374 WeakPolarHBondContact O-CB 3.33Å; D371-I374 PolarHBondContact O-N 3.42Å; D371-R375 WeakPolarHBondContact O-CG 3.32Å; D371-R375 PolarHBondContact O-N 3.33Å |
| 372 | A | 62 | Low | 66.3 | Low | 1 Ų | 1 | 54.6 Ų | 54.6 | 1% | 0.008 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.3 | -40.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | T370 I374 R375 A376 T474 I475 F476 | T370-A372 PolarHBondContact O-N 3Å; T370-A372 PolarHBondContact OG1-N 3.04Å; A372-I374 PolarHBondContact O-N 3.46Å; A372-R375 PolarHBondContact O-N 3.13Å; A372-A376 WeakPolarHBondContact O-CB 3.39Å; A372-A376 PolarHBondContact O-N 3.35Å; A372-T474 HydrophobicContact CB-CG2 3.61Å; A372-I475 WeakPolarHBondContact CB-O 3.34Å; A372-F476 HydrophobicContact CB-CD1 3.39Å; A372-F476 HydrophobicContact CB-CE1 3.56Å; A372-F476 HydrophobicContact CB-CG 4.03Å; A372-F476 HydrophobicContact CB-CZ 4.31Å |
| 373 | D | 71.5 | Confident | 64.7 | Low | 11 Ų | 11 | 55 Ų | 55 | 6% | 0.059 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59.5 | -41.1 | 176 | -67.2 | -44.6 | 0 | 0 | 0 | 110.7 | L362 K366 I369 T370 D371 A376 L377 | L362-D373 HydrophobicContact CD2-CB 3.69Å; K366-D373 WeakPolarHBondContact CD-OD2 3.44Å; K366-D373 WeakPolarHBondContact CE-OD2 3.42Å; K366-D373 IonicContact NZ-OD1 3.23Å; K366-D373 PolarHBondContact NZ-OD1 2.73Å; K366-D373 IonicContact NZ-OD2 3.35Å; K366-D373 PolarHBondContact NZ-OD2 3.32Å; I369-D373 WeakPolarHBondContact CA-OD2 3.13Å; I369-D373 HydrophobicContact CG2-CB 3.78Å; T370-D373 PolarHBondContact N-OD2 3.09Å; T370-D373 WeakPolarHBondContact O-CB 3.22Å; T370-D373 PolarHBondContact O-N 2.77Å; T370-D373 VanDerWaalsContact O-N 3.09Å; T370-D373 PolarHBondContact OG1-N 2.75Å; T370-D373 PolarHBondContact OG1-OD2 2.8Å; D371-D373 PolarHBondContact O-N 2.95Å; D373-A376 PolarHBondContact O-N 2.68Å; D373-L377 VanDerWaalsContact O-CG 3.24Å; D373-L377 WeakPolarHBondContact O-CG 3.32Å; D373-L377 PolarHBondContact O-N 3.33Å |
| 374 | I | 74 | Confident | 62.9 | Low | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.005 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65.5 | -44.4 | 177.4 | -56.4 | -63.6 | 0 | 0 | 0 | 110.9 | L327 F336 L340 L343 L345 F359 I369 T370 D371 A372 A376 L377 V378 | L327-I374 HydrophobicContact CD1-CD1 3.41Å; L327-I374 VanDerWaalsContact CD1-CD1 3.41Å; L327-I374 HydrophobicContact CD1-CG1 3.94Å; F336-I374 HydrophobicContact CD2-CD1 4.15Å; F336-I374 HydrophobicContact CE2-CD1 3.82Å; F336-I374 HydrophobicContact CE2-CG2 4.2Å; L340-I374 HydrophobicContact CD2-CG2 3.5Å; L340-I374 VanDerWaalsContact CD2-CG2 3.5Å; L343-I374 HydrophobicContact CD1-CB 3.97Å; L343-I374 HydrophobicContact CD1-CG2 3.91Å; L345-I374 HydrophobicContact CD1-CG2 4.05Å; F359-I374 HydrophobicContact CD2-CD1 3.73Å; F359-I374 HydrophobicContact CE2-CD1 4Å; I369-I374 HydrophobicContact CG2-CD1 3.54Å; I369-I374 HydrophobicContact CG2-CG1 3.94Å; T370-I374 PolarHBondContact O-N 2.75Å; D371-I374 WeakPolarHBondContact O-CB 3.33Å; D371-I374 PolarHBondContact O-N 3.42Å; A372-I374 PolarHBondContact O-N 3.46Å; I374-A376 VanDerWaalsContact C-N 3.35Å; I374-A376 PolarHBondContact O-N 3.32Å; I374-L377 HydrophobicContact CD1-CD1 4.31Å; I374-L377 PolarHBondContact O-N 3Å; I374-V378 WeakPolarHBondContact O-CG2 3.4Å; I374-V378 PolarHBondContact O-N 3.18Å |
| 375 | R | 65.8 | Low | 61.3 | Low | 30 Ų | 30 | 59.8 Ų | 59.8 | 11% | 0.113 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59.4 | -43.7 | 175 | -64.1 | -170.7 | -173 | -79.5 | -0.2 | 111.8 | L343 L345 D371 A372 L377 V378 A379 T474 | L343-R375 PolarHBondContact O-NH1 2.92Å; L343-R375 PolarHBondContact O-NH2 2.81Å; L345-R375 HydrophobicContact CD1-CG 4Å; L345-R375 HydrophobicContact CD2-CG 4.06Å; L345-R375 HydrophobicContact CG-CG 4.49Å; D371-R375 WeakPolarHBondContact O-CG 3.32Å; D371-R375 PolarHBondContact O-N 3.33Å; A372-R375 PolarHBondContact O-N 3.13Å; R375-L377 PolarHBondContact O-N 3.4Å; R375-V378 PolarHBondContact O-N 3.28Å; R375-A379 WeakPolarHBondContact O-CB 3.26Å; R375-A379 PolarHBondContact O-N 3.39Å; R375-T474 WeakPolarHBondContact CD-OG1 3.34Å |
| 376 | A | 63.9 | Low | 60 | Low | 1 Ų | 1 | 56.7 Ų | 56.7 | 1% | 0.008 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65.1 | -37.2 | 177 | 0 | 0 | 0 | 0 | 0 | 113.5 | A372 D373 I374 V378 A379 G380 T381 I383 I508 | A372-A376 WeakPolarHBondContact O-CB 3.39Å; A372-A376 PolarHBondContact O-N 3.35Å; D373-A376 PolarHBondContact O-N 2.68Å; I374-A376 VanDerWaalsContact C-N 3.35Å; I374-A376 PolarHBondContact O-N 3.32Å; A376-V378 VanDerWaalsContact C-N 3.33Å; A376-V378 PolarHBondContact O-N 3.41Å; A376-A379 WeakPolarHBondContact O-CB 3.19Å; A376-A379 PolarHBondContact O-N 2.89Å; A376-G380 PolarHBondContact O-N 3.43Å; A376-T381 PolarHBondContact O-N 3.43Å; A376-T381 PolarHBondContact O-OG1 3.36Å; A376-I383 HydrophobicContact CB-CD1 3.61Å; A376-I383 HydrophobicContact CB-CG1 3.99Å; A376-I508 HydrophobicContact CB-CB 4.5Å; A376-I508 HydrophobicContact CB-CG1 4.14Å; A376-I508 HydrophobicContact CB-CG2 3.79Å |
| 377 | L | 71.3 | Confident | 59.4 | Low | 16 Ų | 16 | 62 Ų | 62 | 8% | 0.084 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61.6 | -41.3 | 175.2 | -76.1 | 165.1 | 0 | 0 | 0 | 112.3 | L355 K358 F359 L362 D373 I374 R375 G380 | L355-L377 WeakPolarHBondContact CD2-O 3.46Å; K358-L377 HydrophobicContact CB-CD2 3.52Å; F359-L377 HydrophobicContact CB-CD1 3.87Å; F359-L377 HydrophobicContact CD2-CD1 4.21Å; L362-L377 HydrophobicContact CB-CD1 4.41Å; L362-L377 HydrophobicContact CB-CD2 4.34Å; L362-L377 HydrophobicContact CD2-CD1 3.7Å; L362-L377 HydrophobicContact CD2-CD2 4.22Å; L362-L377 HydrophobicContact CD2-CG 3.95Å; D373-L377 VanDerWaalsContact O-CG 3.24Å; D373-L377 WeakPolarHBondContact O-CG 3.32Å; D373-L377 PolarHBondContact O-N 3.33Å; I374-L377 HydrophobicContact CD1-CD1 4.31Å; I374-L377 PolarHBondContact O-N 3Å; R375-L377 PolarHBondContact O-N 3.4Å; L377-G380 PolarHBondContact O-N 2.99Å |
| 378 | V | 68.3 | Low | 59.8 | Low | 40 Ų | 40 | 53.3 Ų | 53.3 | 24% | 0.242 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66.7 | -39.8 | 175.8 | 177.7 | 0 | 0 | 0 | 0 | 111.3 | L340 L345 L355 I374 R375 A376 G380 | L340-V378 HydrophobicContact CD2-CG2 3.51Å; L345-V378 HydrophobicContact CD1-CG2 3.99Å; L355-V378 HydrophobicContact CD1-CG2 4.22Å; L355-V378 HydrophobicContact CD2-CG2 4.37Å; I374-V378 WeakPolarHBondContact O-CG2 3.4Å; I374-V378 PolarHBondContact O-N 3.18Å; R375-V378 PolarHBondContact O-N 3.28Å; A376-V378 VanDerWaalsContact C-N 3.33Å; A376-V378 PolarHBondContact O-N 3.41Å; V378-G380 PolarHBondContact O-N 3.05Å |
| 379 | A | 61.9 | Low | 60.5 | Low | 42 Ų | 42 | 49.7 Ų | 49.7 | 35% | 0.347 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -65.5 | -21.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | R375 A376 | R375-A379 WeakPolarHBondContact O-CB 3.26Å; R375-A379 PolarHBondContact O-N 3.39Å; A376-A379 WeakPolarHBondContact O-CB 3.19Å; A376-A379 PolarHBondContact O-N 2.89Å |
| 380 | G | 54.3 | Low | 61.2 | Low | 43 Ų | 43 | 53.5 Ų | 53.5 | 44% | 0.443 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.4 | 15.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115 | A376 L377 V378 | A376-G380 PolarHBondContact O-N 3.43Å; L377-G380 PolarHBondContact O-N 2.99Å; V378-G380 PolarHBondContact O-N 3.05Å |
| 381 | T | 41.3 | Very low | 62.1 | Low | 23 Ų | 23 | 54.1 Ų | 54.1 | 14% | 0.141 | 29% | 0.293 | C | S | . | . | trans | -82.5 | 128.1 | 176.7 | -2.5 | 0 | 0 | 0 | 0 | 111.9 | A376 I383 E507 I508 | A376-T381 PolarHBondContact O-N 3.43Å; A376-T381 PolarHBondContact O-OG1 3.36Å; T381-I383 PolarHBondContact O-N 3.21Å; T381-E507 WeakPolarHBondContact CB-O 3.49Å; T381-E507 HydrophobicContact CG2-CB 3.58Å; T381-E507 WeakPolarHBondContact CG2-O 3.45Å; T381-E507 VanDerWaalsContact OG1-C 3.3Å; T381-E507 PolarHBondContact OG1-O 3.35Å; T381-I508 HydrophobicContact CG2-CG1 3.94Å; T381-I508 VanDerWaalsContact OG1-CA 3.3Å; T381-I508 WeakPolarHBondContact OG1-CA 3.45Å; T381-I508 WeakPolarHBondContact OG1-CG1 3.44Å | ||
| 382 | E | 37.8 | Very low | 63 | Low | 172 Ų | 172 | 53.3 Ų | 53.3 | 80% | 0.804 | 30% | 0.296 | S | S | * | . | trans | -79.2 | 116.3 | 157.9 | -74.9 | -171.2 | 159.5 | 0 | 0 | 108.5 | E384 | E382-E384 PolarHBondContact O-N 2.65Š| ||
| 383 | I | 43.9 | Very low | 64.6 | Low | 49 Ų | 49 | 56.7 Ų | 56.7 | 25% | 0.251 | 31% | 0.314 | S | S | . | . | trans | -80.3 | 67.8 | 175.2 | -49.7 | 179.2 | 0 | 0 | 0 | 108.6 | A376 T381 F499 | A376-I383 HydrophobicContact CB-CD1 3.61Å; A376-I383 HydrophobicContact CB-CG1 3.99Å; T381-I383 PolarHBondContact O-N 3.21Å; I383-F499 HydrophobicContact CG2-CD1 3.48Å; I383-F499 VanDerWaalsContact CG2-CD1 3.48Å; I383-F499 HydrophobicContact CG2-CE1 3.04Å; I383-F499 HydrophobicContact CG2-CZ 3.94Å | ||
| 384 | E | 38 | Very low | 65.8 | Low | 131 Ų | 131 | 57 Ų | 57 | 61% | 0.612 | 32% | 0.316 | S | S | * | . | trans | -118.7 | 126 | 156.4 | -76.4 | -176.9 | -174.2 | 0 | 0 | 105.9 | K365 E382 P386 K502 | K365-E384 IonicContact NZ-OE1 2.61Å; E382-E384 PolarHBondContact O-N 2.65Å; E384-P386 VanDerWaalsContact O-CD 3.28Å; E384-P386 WeakPolarHBondContact O-CD 3.27Å; E384-K502 PolarHBondContact O-NZ 3.16Å | ||
| 385 | N | 44.9 | Very low | 66.8 | Low | 65 Ų | 65 | 62.4 Ų | 62.4 | 35% | 0.348 | 34% | 0.339 | S | S | . | . | trans | -114.6 | 66.5 | 178.1 | -163 | 19.1 | 0 | 0 | 0 | 111.5 | E387 G388 | N385-E387 PolarHBondContact O-N 2.93Å; N385-G388 PolarHBondContact OD1-N 3.12Å | ||
| 386 | P | 46.1 | Very low | 68.2 | Low | 100 Ų | 100 | 63.6 Ų | 63.6 | 65% | 0.649 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -74.2 | -11.3 | 170.4 | 28.5 | -30.1 | 0 | 0 | 0 | 113.2 | E384 | E384-P386 VanDerWaalsContact O-CD 3.28Å; E384-P386 WeakPolarHBondContact O-CD 3.27Å |
| 387 | E | 54.3 | Low | 69.8 | Low | 176 Ų | 176 | 66.3 Ų | 66.3 | 82% | 0.822 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -105.3 | -5.7 | -170.3 | -61.2 | -166.9 | 170.3 | 0 | 0 | 115.3 | N385 | N385-E387 PolarHBondContact O-N 2.93Š|
| 388 | G | 71.4 | Confident | 70.8 | Confident | 18 Ų | 18 | 70.5 Ų | 70.5 | 19% | 0.186 | 40% | 0.395 | C | S | . | . | S | Bend | trans | -91.1 | 170.9 | -179 | 0 | 0 | 0 | 0 | 0 | 115.5 | N385 | N385-G388 PolarHBondContact OD1-N 3.12Š|
| 389 | F | 82.5 | Confident | 72 | Confident | 49 Ų | 49 | 71 Ų | 71 | 22% | 0.215 | 40% | 0.396 | C | S | . | . | trans | -65 | 135.6 | 165.4 | -80.2 | -93.7 | 0 | 0 | 0 | 110.4 | M410 V411 N412 E416 V418 F438 | F389-M410 HydrophobicContact CB-CB 4.3Å; F389-M410 HydrophobicContact CB-CE 4.02Å; F389-M410 HydrophobicContact CD1-CB 3.79Å; F389-M410 HydrophobicContact CG-CB 4.41Å; F389-V411 CarbonylContact C-O 3.55Å; F389-V411 VanDerWaalsContact CA-O 3.3Å; F389-V411 WeakPolarHBondContact CA-O 3.4Å; F389-N412 HydrophobicContact CD1-CB 3.89Å; F389-N412 HydrophobicContact CD2-CB 4.02Å; F389-N412 HydrophobicContact CE1-CB 3.91Å; F389-N412 HydrophobicContact CE2-CB 4.04Å; F389-N412 HydrophobicContact CG-CB 3.95Å; F389-N412 HydrophobicContact CZ-CB 3.98Å; F389-E416 HydrophobicContact CE1-CB 4.45Å; F389-E416 WeakPolarHBondContact CE1-O 3.33Å; F389-E416 HydrophobicContact CZ-CB 4.29Å; F389-E416 HydrophobicContact CZ-CG 4.25Å; F389-V418 HydrophobicContact CE1-CB 4.17Å; F389-V418 HydrophobicContact CE1-CG2 3.6Å; F389-V418 HydrophobicContact CZ-CG2 3.73Å; F389-F438 HydrophobicContact CB-CE1 3.89Å; F389-F438 HydrophobicContact CB-CZ 3.58Å; F389-F438 HydrophobicContact CD1-CE2 4.43Å; F389-F438 AromaticContact CD1-CZ 3.99Å; F389-F438 HydrophobicContact CD1-CZ 3.99Å; F389-F438 AromaticContact CD2-CZ 3.76Å; F389-F438 HydrophobicContact CD2-CZ 3.76Å; F389-F438 HydrophobicContact CE2-CZ 4.42Å; F389-F438 HydrophobicContact CG-CE1 4.3Å; F389-F438 HydrophobicContact CG-CE2 4.36Å; F389-F438 AromaticContact CG-CZ 3.51Å; F389-F438 HydrophobicContact CG-CZ 3.51Å | ||
| 390 | H | 86 | Confident | 73.4 | Confident | 93 Ų | 93 | 74.3 Ų | 74.3 | 43% | 0.431 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 167.4 | 173.2 | 58.2 | -82.7 | 0 | 0 | 0 | 110.3 | G392 M410 V411 | H390-G392 PolarHBondContact O-N 3.23Å; H390-M410 WeakPolarHBondContact O-CA 3.45Å; H390-V411 PolarHBondContact CE1-O 3.23Å; H390-V411 PolarHBondContact N-O 3.46Å; H390-V411 PolarHBondContact ND1-O 2.89Å; H390-V411 PolarHBondContact O-N 3.34Å |
| 391 | F | 92.1 | Very high | 75.1 | Confident | 26 Ų | 26 | 77.4 Ų | 77.4 | 11% | 0.114 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 125.4 | 175.6 | 176.5 | -95 | 0 | 0 | 0 | 110.5 | D393 L394 V408 K487 A490 I491 V494 | F391-D393 WeakPolarHBondContact CE2-O 3.48Å; F391-L394 HydrophobicContact CE2-CB 3.9Å; F391-L394 HydrophobicContact CZ-CB 3.66Å; F391-V408 HydrophobicContact CD2-CG1 4.24Å; F391-V408 HydrophobicContact CE2-CG1 4.32Å; F391-K487 HydrophobicContact CE1-CB 4.26Å; F391-K487 HydrophobicContact CE1-CD 4.5Å; F391-K487 HydrophobicContact CE1-CG 4.42Å; F391-K487 HydrophobicContact CZ-CB 4.25Å; F391-K487 HydrophobicContact CZ-CG 4.15Å; F391-A490 HydrophobicContact CD2-CB 3.72Å; F391-A490 HydrophobicContact CE2-CB 3.45Å; F391-A490 VanDerWaalsContact CE2-CB 3.45Å; F391-A490 HydrophobicContact CZ-CB 4.1Å; F391-I491 HydrophobicContact CB-CG1 4Å; F391-I491 HydrophobicContact CD1-CD1 4.08Å; F391-I491 HydrophobicContact CD1-CG1 3.43Å; F391-I491 VanDerWaalsContact CD1-CG1 3.43Å; F391-I491 HydrophobicContact CE1-CD1 4.42Å; F391-I491 HydrophobicContact CE1-CG1 4.07Å; F391-I491 HydrophobicContact CG-CG1 3.8Å; F391-V494 HydrophobicContact CB-CG2 4.36Å |
| 392 | G | 92.3 | Very high | 77.3 | Confident | 33 Ų | 33 | 83.2 Ų | 83.2 | 34% | 0.34 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | -59.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | H390 L409 | H390-G392 PolarHBondContact O-N 3.23Å; G392-L409 WeakPolarHBondContact CA-O 3.4Å; G392-L409 PolarHBondContact N-O 3.49Å |
| 393 | D | 94.4 | Very high | 80 | Confident | 72 Ų | 72 | 76.6 Ų | 76.6 | 39% | 0.385 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 169.3 | -179.2 | -156 | 8.6 | 0 | 0 | 0 | 112.3 | F391 L409 K487 | F391-D393 WeakPolarHBondContact CE2-O 3.48Å; D393-L409 HydrophobicContact CB-CB 4.19Å; D393-L409 HydrophobicContact CB-CD2 4.19Å; D393-L409 PolarHBondContact N-O 2.84Å; D393-L409 PolarHBondContact O-N 2.79Å; D393-K487 WeakPolarHBondContact OD1-CE 3.19Å; D393-K487 IonicContact OD1-NZ 3.89Å; D393-K487 PolarHBondContact OD1-NZ 2.62Å |
| 394 | L | 96.5 | Very high | 82.4 | Confident | 18 Ų | 18 | 74.8 Ų | 74.8 | 9% | 0.094 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 130 | 179.6 | 172.4 | 64.8 | 0 | 0 | 0 | 110.6 | F391 L396 A406 V408 I431 L486 K487 | F391-L394 HydrophobicContact CE2-CB 3.9Å; F391-L394 HydrophobicContact CZ-CB 3.66Å; L394-L396 HydrophobicContact CD1-CD2 4.12Å; L394-L396 HydrophobicContact CD1-CG 4.09Å; L394-L396 HydrophobicContact CD2-CD1 4.08Å; L394-L396 HydrophobicContact CD2-CG 4.28Å; L394-L396 HydrophobicContact CG-CD1 4.43Å; L394-L396 HydrophobicContact CG-CG 4.11Å; L394-A406 HydrophobicContact CD1-CB 4.33Å; L394-V408 HydrophobicContact CD1-CG2 4Å; L394-I431 HydrophobicContact CD1-CD1 4.32Å; L394-I431 HydrophobicContact CD1-CG1 3.75Å; L394-I431 HydrophobicContact CD2-CD1 3.58Å; L394-I431 HydrophobicContact CD2-CG1 3.97Å; L394-L486 HydrophobicContact CD2-CB 3.94Å; L394-K487 HydrophobicContact CB-CG 4.25Å; L394-K487 HydrophobicContact CD2-CG 4.36Å |
| 395 | K | 96.3 | Very high | 85.2 | Confident | 114 Ų | 114 | 69.6 Ų | 69.6 | 50% | 0.496 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 135.8 | 166.6 | 172.6 | 168.3 | 165.9 | -104.7 | 0 | 110.3 | E407 | K395-E407 HydrophobicContact CB-CB 4.09Å; K395-E407 PolarHBondContact N-O 3.39Å; K395-E407 IonicContact NZ-OE1 2.71Å; K395-E407 PolarHBondContact NZ-OE1 2.83Å; K395-E407 IonicContact NZ-OE2 3.09Å; K395-E407 PolarHBondContact NZ-OE2 3.49Å; K395-E407 PolarHBondContact O-N 2.64Å |
| 396 | L | 95.5 | Very high | 87.7 | Confident | 55 Ų | 55 | 66.5 Ų | 66.5 | 29% | 0.288 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 135.8 | -179.3 | -69.1 | 166.8 | 0 | 0 | 0 | 110.2 | L394 V404 T405 A406 I431 L486 | L394-L396 HydrophobicContact CD1-CD2 4.12Å; L394-L396 HydrophobicContact CD1-CG 4.09Å; L394-L396 HydrophobicContact CD2-CD1 4.08Å; L394-L396 HydrophobicContact CD2-CG 4.28Å; L394-L396 HydrophobicContact CG-CD1 4.43Å; L394-L396 HydrophobicContact CG-CG 4.11Å; L396-V404 HydrophobicContact CB-CG1 4.38Å; L396-V404 HydrophobicContact CD2-CG1 3.74Å; L396-T405 WeakPolarHBondContact CA-O 3.37Å; L396-A406 HydrophobicContact CD2-CB 3.67Å; L396-I431 HydrophobicContact CD1-CD1 4.41Å; L396-I431 HydrophobicContact CD2-CD1 4.37Å; L396-I431 HydrophobicContact CD2-CG1 4.01Å; L396-L486 HydrophobicContact CD1-CB 4.39Å; L396-L486 HydrophobicContact CD1-CD1 3.34Å; L396-L486 HydrophobicContact CD1-CG 4.43Å |
| 397 | T | 95.8 | Very high | 90.1 | Very high | 57 Ų | 57 | 63.3 Ų | 63.3 | 35% | 0.35 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 117.8 | 173.8 | -57.5 | 0 | 0 | 0 | 0 | 109 | V404 T405 | T397-V404 WeakPolarHBondContact O-CA 3.42Å; T397-T405 PolarHBondContact N-O 2.75Å; T397-T405 PolarHBondContact O-N 3.17Å |
| 398 | S | 93.1 | Very high | 92.1 | Very high | 105 Ų | 105 | 55 Ų | 55 | 73% | 0.734 | 32% | 0.321 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 124.4 | 168.9 | -59.3 | 0 | 0 | 0 | 0 | 109.6 | ||
| 399 | N | 92.9 | Very high | 93.3 | Very high | 51 Ų | 51 | 56.1 Ų | 56.1 | 27% | 0.273 | 32% | 0.322 | S | S | . | . | trans | -92.9 | 162.3 | -179.2 | -58.1 | -48.3 | 0 | 0 | 0 | 111.1 | D401 D402 T403 T405 | N399-D401 VanDerWaalsContact CB-OD1 3.23Å; N399-D401 WeakPolarHBondContact CB-OD1 3.38Å; N399-D401 PolarHBondContact O-N 2.61Å; N399-D402 PolarHBondContact O-N 2.65Å; N399-T403 WeakPolarHBondContact CB-O 3.21Å; N399-T403 PolarHBondContact N-O 3.25Å; N399-T403 PolarHBondContact ND2-O 2.87Å; N399-T403 PolarHBondContact ND2-OG1 2.9Å; N399-T405 PolarHBondContact ND2-OG1 3.02Å; N399-T405 PolarHBondContact OD1-OG1 2.99Å | ||
| 400 | A | 91.7 | Very high | 93.8 | Very high | 111 Ų | 111 | 53.8 Ų | 53.8 | 92% | 0.917 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -11 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 401 | D | 90.9 | Very high | 94 | Very high | 107 Ų | 107 | 50.5 Ų | 50.5 | 57% | 0.572 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.7 | 20.4 | 179 | 66.6 | -8.7 | 0 | 0 | 0 | 112.9 | N399 T403 | N399-D401 VanDerWaalsContact CB-OD1 3.23Å; N399-D401 WeakPolarHBondContact CB-OD1 3.38Å; N399-D401 PolarHBondContact O-N 2.61Å; D401-T403 PolarHBondContact O-N 2.89Å; D401-T403 WeakPolarHBondContact OD1-CB 3.37Å; D401-T403 WeakPolarHBondContact OD1-CG2 3.27Å; D401-T403 PolarHBondContact OD1-N 3.23Å; D401-T403 VanDerWaalsContact OD1-N 3.14Å; D401-T403 PolarHBondContact OD1-OG1 2.94Å |
| 402 | D | 87.2 | Confident | 93.7 | Very high | 145 Ų | 145 | 50.2 Ų | 50.2 | 78% | 0.775 | 30% | 0.298 | S | S | * | . | S | Bend | trans | 63.7 | 9.4 | -176.3 | -56.6 | -42.6 | 0 | 0 | 0 | 115 | N399 | N399-D402 PolarHBondContact O-N 2.65Š|
| 403 | T | 93.3 | Very high | 92.9 | Very high | 34 Ų | 34 | 52.3 Ų | 52.3 | 21% | 0.209 | 31% | 0.312 | C | S | . | . | trans | -84.8 | 159.3 | 169.7 | 69.1 | 0 | 0 | 0 | 0 | 111.7 | N399 D401 G424 | N399-T403 WeakPolarHBondContact CB-O 3.21Å; N399-T403 PolarHBondContact N-O 3.25Å; N399-T403 PolarHBondContact ND2-O 2.87Å; N399-T403 PolarHBondContact ND2-OG1 2.9Å; D401-T403 PolarHBondContact O-N 2.89Å; D401-T403 WeakPolarHBondContact OD1-CB 3.37Å; D401-T403 WeakPolarHBondContact OD1-CG2 3.27Å; D401-T403 PolarHBondContact OD1-N 3.23Å; D401-T403 VanDerWaalsContact OD1-N 3.14Å; D401-T403 PolarHBondContact OD1-OG1 2.94Å; T403-G424 WeakPolarHBondContact CA-O 3.44Å; T403-G424 WeakPolarHBondContact CB-O 3.01Å | ||
| 404 | V | 94.5 | Very high | 92.2 | Very high | 11 Ų | 11 | 56.1 Ų | 56.1 | 7% | 0.067 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 131.4 | 172.5 | -178.2 | 0 | 0 | 0 | 0 | 108.7 | L396 T397 N423 G424 A430 | L396-V404 HydrophobicContact CB-CG1 4.38Å; L396-V404 HydrophobicContact CD2-CG1 3.74Å; T397-V404 WeakPolarHBondContact O-CA 3.42Å; V404-N423 CarbonylContact O-C 3.53Å; V404-N423 VanDerWaalsContact O-CA 3.29Å; V404-N423 WeakPolarHBondContact O-CA 3.46Å; V404-G424 PolarHBondContact N-O 2.93Å; V404-G424 PolarHBondContact O-N 3.28Å; V404-A430 HydrophobicContact CB-CB 4.13Å; V404-A430 HydrophobicContact CG1-CB 4.17Å; V404-A430 WeakPolarHBondContact O-CB 3.49Å |
| 405 | T | 97.3 | Very high | 91.5 | Very high | 22 Ų | 22 | 57.7 Ų | 57.7 | 14% | 0.135 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 126.5 | 168.8 | -52.7 | 0 | 0 | 0 | 0 | 108.6 | L396 T397 N399 I421 N423 | L396-T405 WeakPolarHBondContact CA-O 3.37Å; T397-T405 PolarHBondContact N-O 2.75Å; T397-T405 PolarHBondContact O-N 3.17Å; N399-T405 PolarHBondContact ND2-OG1 3.02Å; N399-T405 PolarHBondContact OD1-OG1 2.99Å; T405-I421 HydrophobicContact CG2-CG2 3.59Å; T405-N423 WeakPolarHBondContact CG2-OD1 3.37Å; T405-N423 PolarHBondContact OG1-OD1 3.17Å |
| 406 | A | 97.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 129 | 171 | 0 | 0 | 0 | 0 | 0 | 110.4 | L394 L396 V408 I421 A422 A430 I431 | L394-A406 HydrophobicContact CD1-CB 4.33Å; L396-A406 HydrophobicContact CD2-CB 3.67Å; A406-V408 HydrophobicContact CB-CG2 4.5Å; A406-I421 VanDerWaalsContact O-CA 3.3Å; A406-I421 WeakPolarHBondContact O-CA 3.49Å; A406-A422 PolarHBondContact N-O 2.78Å; A406-A422 PolarHBondContact O-N 3.47Å; A406-A430 VanDerWaalsContact CB-C 3.47Å; A406-A430 HydrophobicContact CB-CB 3.76Å; A406-I431 HydrophobicContact CB-CG1 4.09Å |
| 407 | E | 97.6 | Very high | 90.9 | Very high | 32 Ų | 32 | 61.4 Ų | 61.4 | 15% | 0.15 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 103.7 | 168.7 | -70.4 | 160.5 | -95.3 | 0 | 0 | 106.6 | K395 I421 | K395-E407 HydrophobicContact CB-CB 4.09Å; K395-E407 PolarHBondContact N-O 3.39Å; K395-E407 IonicContact NZ-OE1 2.71Å; K395-E407 PolarHBondContact NZ-OE1 2.83Å; K395-E407 IonicContact NZ-OE2 3.09Å; K395-E407 PolarHBondContact NZ-OE2 3.49Å; K395-E407 PolarHBondContact O-N 2.64Å; E407-I421 HydrophobicContact CG-CD1 3.97Å; E407-I421 HydrophobicContact CG-CG1 3.9Å; E407-I421 HydrophobicContact CG-CG2 4.26Å |
| 408 | V | 96.3 | Very high | 90.8 | Very high | 1 Ų | 1 | 60.8 Ų | 60.8 | 1% | 0.006 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 121.9 | -179.5 | -179.6 | 0 | 0 | 0 | 0 | 109 | F391 L394 A406 M410 V420 I431 A434 V435 | F391-V408 HydrophobicContact CD2-CG1 4.24Å; F391-V408 HydrophobicContact CE2-CG1 4.32Å; L394-V408 HydrophobicContact CD1-CG2 4Å; A406-V408 HydrophobicContact CB-CG2 4.5Å; V408-M410 HydrophobicContact CG1-SD 3.98Å; V408-V420 PolarHBondContact N-O 2.92Å; V408-V420 PolarHBondContact O-N 3.21Å; V408-I431 HydrophobicContact CG2-CG2 4.36Å; V408-A434 HydrophobicContact CB-CB 4.2Å; V408-A434 HydrophobicContact CG2-CB 3.64Å; V408-V435 HydrophobicContact CG1-CG2 4.41Å |
| 409 | L | 96.2 | Very high | 90.9 | Very high | 42 Ų | 42 | 61.3 Ų | 61.3 | 22% | 0.22 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 123 | 175.6 | -177 | 68.7 | 0 | 0 | 0 | 109.6 | G392 D393 V411 E417 | G392-L409 WeakPolarHBondContact CA-O 3.4Å; G392-L409 PolarHBondContact N-O 3.49Å; D393-L409 HydrophobicContact CB-CB 4.19Å; D393-L409 HydrophobicContact CB-CD2 4.19Å; D393-L409 PolarHBondContact N-O 2.84Å; D393-L409 PolarHBondContact O-N 2.79Å; L409-V411 HydrophobicContact CD2-CG2 4.39Å; L409-V411 HydrophobicContact CG-CG2 4.24Å; L409-E417 HydrophobicContact CD1-CB 3.98Å; L409-E417 HydrophobicContact CD1-CG 4.42Å |
| 410 | M | 93.3 | Very high | 91 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 135 | 174.9 | -59.7 | -63 | -64.4 | 0 | 0 | 109.2 | F389 H390 V408 E417 V418 F438 F439 V494 | F389-M410 HydrophobicContact CB-CB 4.3Å; F389-M410 HydrophobicContact CB-CE 4.02Å; F389-M410 HydrophobicContact CD1-CB 3.79Å; F389-M410 HydrophobicContact CG-CB 4.41Å; H390-M410 WeakPolarHBondContact O-CA 3.45Å; V408-M410 HydrophobicContact CG1-SD 3.98Å; M410-E417 WeakPolarHBondContact O-CA 3.37Å; M410-V418 HydrophobicContact CB-CB 4.46Å; M410-V418 PolarHBondContact N-O 3.46Å; M410-V418 PolarHBondContact O-N 3.18Å; M410-F438 HydrophobicContact CB-CD2 4.22Å; M410-F438 HydrophobicContact CB-CE2 3.79Å; M410-F438 HydrophobicContact CB-CZ 3.98Å; M410-F438 HydrophobicContact CE-CD1 3.89Å; M410-F438 HydrophobicContact CE-CE1 3.73Å; M410-F438 HydrophobicContact CE-CZ 4.25Å; M410-F438 HydrophobicContact CG-CD1 4.16Å; M410-F438 HydrophobicContact CG-CD2 3.73Å; M410-F438 HydrophobicContact CG-CE1 4.25Å; M410-F438 HydrophobicContact CG-CE2 3.81Å; M410-F438 HydrophobicContact CG-CG 3.9Å; M410-F438 HydrophobicContact CG-CZ 4.09Å; M410-F439 HydrophobicContact CE-CE2 4.35Å; M410-F439 HydrophobicContact CE-CZ 4.4Å; M410-V494 HydrophobicContact CE-CG1 3.71Å; M410-V494 HydrophobicContact CE-CG2 4.1Å; M410-V494 HydrophobicContact SD-CG2 3.96Å |
| 411 | V | 89.7 | Confident | 91.3 | Very high | 25 Ų | 25 | 57.8 Ų | 57.8 | 15% | 0.152 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 137 | -177.9 | -171.9 | 0 | 0 | 0 | 0 | 109.9 | F389 H390 L409 E416 E417 | F389-V411 CarbonylContact C-O 3.55Å; F389-V411 VanDerWaalsContact CA-O 3.3Å; F389-V411 WeakPolarHBondContact CA-O 3.4Å; H390-V411 PolarHBondContact CE1-O 3.23Å; H390-V411 PolarHBondContact N-O 3.46Å; H390-V411 PolarHBondContact ND1-O 2.89Å; H390-V411 PolarHBondContact O-N 3.34Å; L409-V411 HydrophobicContact CD2-CG2 4.39Å; L409-V411 HydrophobicContact CG-CG2 4.24Å; V411-E416 WeakPolarHBondContact CA-O 3.38Å; V411-E417 HydrophobicContact CG2-CG 4.25Å |
| 412 | N | 85.9 | Confident | 91.5 | Very high | 19 Ų | 19 | 53.4 Ų | 53.4 | 10% | 0.102 | 30% | 0.302 | C | S | . | . | trans | -104.3 | 177 | 172.9 | 73 | 11.7 | 0 | 0 | 0 | 112.3 | F389 D414 G415 E416 | F389-N412 HydrophobicContact CD1-CB 3.89Å; F389-N412 HydrophobicContact CD2-CB 4.02Å; F389-N412 HydrophobicContact CE1-CB 3.91Å; F389-N412 HydrophobicContact CE2-CB 4.04Å; F389-N412 HydrophobicContact CG-CB 3.95Å; F389-N412 HydrophobicContact CZ-CB 3.98Å; N412-D414 PolarHBondContact O-N 3.41Å; N412-D414 PolarHBondContact OD1-N 3.11Å; N412-G415 PolarHBondContact O-N 3.05Å; N412-G415 VanDerWaalsContact O-N 3.11Å; N412-G415 PolarHBondContact OD1-N 3.36Å; N412-G415 VanDerWaalsContact OD1-N 3.15Å; N412-E416 PolarHBondContact N-O 2.88Å; N412-E416 VanDerWaalsContact N-O 3.13Å; N412-E416 VanDerWaalsContact ND2-CB 3.33Å; N412-E416 WeakPolarHBondContact ND2-CB 3.28Å; N412-E416 PolarHBondContact ND2-OE2 3.1Å; N412-E416 VanDerWaalsContact ND2-OE2 3.11Å; N412-E416 VanDerWaalsContact OD1-CB 3.31Å; N412-E416 WeakPolarHBondContact OD1-CB 3.27Å; N412-E416 PolarHBondContact OD1-N 3.45Å | ||
| 413 | A | 76.1 | Confident | 92 | Very high | 77 Ų | 77 | 51 Ų | 51 | 64% | 0.636 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -24.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | G415 | A413-G415 VanDerWaalsContact C-N 3.26Å; A413-G415 PolarHBondContact O-N 3.25Å |
| 414 | D | 79.9 | Confident | 92 | Very high | 153 Ų | 153 | 49.7 Ų | 49.7 | 82% | 0.818 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -2.3 | 177.6 | -65.8 | -40.5 | 0 | 0 | 0 | 112.8 | N412 E416 | N412-D414 PolarHBondContact O-N 3.41Å; N412-D414 PolarHBondContact OD1-N 3.11Å; D414-E416 VanDerWaalsContact C-N 3.33Å |
| 415 | G | 80.4 | Confident | 91.8 | Very high | 50 Ų | 50 | 57.5 Ų | 57.5 | 52% | 0.515 | 32% | 0.315 | S | S | . | . | trans | 77.6 | 16.5 | -177 | 0 | 0 | 0 | 0 | 0 | 113.8 | N412 A413 | N412-G415 PolarHBondContact O-N 3.05Å; N412-G415 VanDerWaalsContact O-N 3.11Å; N412-G415 PolarHBondContact OD1-N 3.36Å; N412-G415 VanDerWaalsContact OD1-N 3.15Å; A413-G415 VanDerWaalsContact C-N 3.26Å; A413-G415 PolarHBondContact O-N 3.25Å | ||
| 416 | E | 88.3 | Confident | 91.4 | Very high | 113 Ų | 113 | 57.7 Ų | 57.7 | 53% | 0.528 | 32% | 0.322 | S | S | . | . | trans | -69.9 | 130 | 169.1 | -166.9 | -178.7 | -179.3 | 0 | 0 | 109.5 | F389 V411 N412 D414 | F389-E416 HydrophobicContact CE1-CB 4.45Å; F389-E416 WeakPolarHBondContact CE1-O 3.33Å; F389-E416 HydrophobicContact CZ-CB 4.29Å; F389-E416 HydrophobicContact CZ-CG 4.25Å; V411-E416 WeakPolarHBondContact CA-O 3.38Å; N412-E416 PolarHBondContact N-O 2.88Å; N412-E416 VanDerWaalsContact N-O 3.13Å; N412-E416 VanDerWaalsContact ND2-CB 3.33Å; N412-E416 WeakPolarHBondContact ND2-CB 3.28Å; N412-E416 PolarHBondContact ND2-OE2 3.1Å; N412-E416 VanDerWaalsContact ND2-OE2 3.11Å; N412-E416 VanDerWaalsContact OD1-CB 3.31Å; N412-E416 WeakPolarHBondContact OD1-CB 3.27Å; N412-E416 PolarHBondContact OD1-N 3.45Å; D414-E416 VanDerWaalsContact C-N 3.33Å | ||
| 417 | E | 92 | Very high | 91.3 | Very high | 135 Ų | 135 | 59.5 Ų | 59.5 | 63% | 0.631 | 34% | 0.335 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 126 | -179.2 | -71.8 | -175.1 | -179.2 | 0 | 0 | 109.9 | L409 M410 V411 | L409-E417 HydrophobicContact CD1-CB 3.98Å; L409-E417 HydrophobicContact CD1-CG 4.42Å; M410-E417 WeakPolarHBondContact O-CA 3.37Å; V411-E417 HydrophobicContact CG2-CG 4.25Å |
| 418 | V | 93.1 | Very high | 91.1 | Very high | 44 Ų | 44 | 60.5 Ų | 60.5 | 27% | 0.267 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 117.2 | 176.8 | 179.7 | 0 | 0 | 0 | 0 | 109.3 | F389 M410 V420 F438 | F389-V418 HydrophobicContact CE1-CB 4.17Å; F389-V418 HydrophobicContact CE1-CG2 3.6Å; F389-V418 HydrophobicContact CZ-CG2 3.73Å; M410-V418 HydrophobicContact CB-CB 4.46Å; M410-V418 PolarHBondContact N-O 3.46Å; M410-V418 PolarHBondContact O-N 3.18Å; V418-V420 HydrophobicContact CG1-CG2 4.12Å; V418-F438 HydrophobicContact CB-CE2 4.05Å; V418-F438 HydrophobicContact CG1-CD2 4.11Å; V418-F438 HydrophobicContact CG1-CE2 3.89Å |
| 419 | E | 95.4 | Very high | 90.9 | Very high | 115 Ų | 115 | 64.5 Ų | 64.5 | 54% | 0.537 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 127.1 | 175.9 | -173.2 | 175.5 | -154.7 | 0 | 0 | 110.7 | I421 | E419-I421 HydrophobicContact CG-CG1 4.42Å |
| 420 | V | 95.3 | Very high | 90.9 | Very high | 13 Ų | 13 | 62.5 Ų | 62.5 | 8% | 0.079 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 126.6 | 177.7 | -172.3 | 0 | 0 | 0 | 0 | 110.7 | V408 V418 A434 K437 F438 | V408-V420 PolarHBondContact N-O 2.92Å; V408-V420 PolarHBondContact O-N 3.21Å; V418-V420 HydrophobicContact CG1-CG2 4.12Å; V420-A434 HydrophobicContact CG1-CB 4.35Å; V420-A434 VanDerWaalsContact CG1-O 3.23Å; V420-A434 WeakPolarHBondContact CG1-O 3.31Å; V420-K437 HydrophobicContact CG1-CB 4.03Å; V420-K437 HydrophobicContact CG1-CD 3.82Å; V420-K437 HydrophobicContact CG1-CG 3.89Å; V420-F438 HydrophobicContact CG2-CB 3.89Å; V420-F438 HydrophobicContact CG2-CD2 3.67Å; V420-F438 HydrophobicContact CG2-CG 4.24Å |
| 421 | I | 96.8 | Very high | 91.1 | Very high | 76 Ų | 76 | 62.6 Ų | 62.6 | 39% | 0.39 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 130.5 | -177.4 | -47.8 | -176 | 0 | 0 | 0 | 110.1 | T405 A406 E407 E419 K437 | T405-I421 HydrophobicContact CG2-CG2 3.59Å; A406-I421 VanDerWaalsContact O-CA 3.3Å; A406-I421 WeakPolarHBondContact O-CA 3.49Å; E407-I421 HydrophobicContact CG-CD1 3.97Å; E407-I421 HydrophobicContact CG-CG1 3.9Å; E407-I421 HydrophobicContact CG-CG2 4.26Å; E419-I421 HydrophobicContact CG-CG1 4.42Å; I421-K437 PolarHBondContact O-NZ 3.34Å |
| 422 | A | 96.8 | Very high | 91.4 | Very high | 15 Ų | 15 | 62 Ų | 62 | 12% | 0.124 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 160.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | A406 N433 A434 | A406-A422 PolarHBondContact N-O 2.78Å; A406-A422 PolarHBondContact O-N 3.47Å; A422-N433 HydrophobicContact CB-CB 3.79Å; A422-A434 HydrophobicContact CB-CB 3.77Å |
| 423 | N | 96 | Very high | 91.8 | Very high | 93 Ų | 93 | 63.9 Ų | 63.9 | 50% | 0.497 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 154.5 | 176.5 | -62.1 | -26.1 | 0 | 0 | 0 | 110.4 | V404 T405 N433 | V404-N423 CarbonylContact O-C 3.53Å; V404-N423 VanDerWaalsContact O-CA 3.29Å; V404-N423 WeakPolarHBondContact O-CA 3.46Å; T405-N423 WeakPolarHBondContact CG2-OD1 3.37Å; T405-N423 PolarHBondContact OG1-OD1 3.17Å; N423-N433 PolarHBondContact O-ND2 3.31Å |
| 424 | G | 93.2 | Very high | 92.8 | Very high | 7 Ų | 7 | 60.2 Ų | 60.2 | 7% | 0.072 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 170.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | T403 V404 G426 | T403-G424 WeakPolarHBondContact CA-O 3.44Å; T403-G424 WeakPolarHBondContact CB-O 3.01Å; V404-G424 PolarHBondContact N-O 2.93Å; V404-G424 PolarHBondContact O-N 3.28Å; G424-G426 PolarHBondContact O-N 3.22Å |
| 425 | K | 90.6 | Very high | 93.5 | Very high | 175 Ų | 175 | 52.9 Ų | 52.9 | 76% | 0.761 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -78.9 | -7.4 | 175.4 | -56.5 | 177.2 | 178.7 | 173.3 | 0 | 112.7 | E429 | K425-E429 WeakPolarHBondContact CA-OE2 3.39Å; K425-E429 WeakPolarHBondContact CB-OE2 3.2Å; K425-E429 PolarHBondContact N-OE2 2.54Å |
| 426 | G | 90.2 | Very high | 94.1 | Very high | 26 Ų | 26 | 52.3 Ų | 52.3 | 27% | 0.268 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -157.3 | 168.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | G424 V428 E429 A430 | G424-G426 PolarHBondContact O-N 3.22Å; G426-V428 PolarHBondContact O-N 2.93Å; G426-E429 PolarHBondContact O-N 2.71Å; G426-A430 WeakPolarHBondContact O-CB 3.44Å; G426-A430 PolarHBondContact O-N 3.49Å |
| 427 | S | 93.9 | Very high | 94.4 | Very high | 39 Ų | 39 | 53.2 Ų | 53.2 | 27% | 0.273 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -58.3 | -46.2 | -173.3 | -49.5 | 0 | 0 | 0 | 0 | 113 | E429 A430 I431 | S427-E429 PolarHBondContact O-N 3.09Å; S427-A430 PolarHBondContact O-N 2.83Å; S427-I431 VanDerWaalsContact O-CD1 3.26Å; S427-I431 WeakPolarHBondContact O-CD1 3.5Å; S427-I431 WeakPolarHBondContact O-CG1 3.3Å; S427-I431 PolarHBondContact O-N 2.8Å |
| 428 | V | 93.3 | Very high | 94.5 | Very high | 52 Ų | 52 | 49 Ų | 49 | 32% | 0.315 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -62.2 | -46.2 | 179.2 | 178.9 | 0 | 0 | 0 | 0 | 111.2 | G426 A430 I431 Y432 Y448 L486 | G426-V428 PolarHBondContact O-N 2.93Å; V428-A430 PolarHBondContact O-N 3.15Å; V428-I431 PolarHBondContact O-N 3.12Å; V428-Y432 HydrophobicContact CG1-CD1 4.28Å; V428-Y432 HydrophobicContact CG1-CD2 4.05Å; V428-Y432 HydrophobicContact CG1-CE1 4.04Å; V428-Y432 HydrophobicContact CG1-CE2 3.78Å; V428-Y432 HydrophobicContact CG1-CG 4.29Å; V428-Y432 WeakPolarHBondContact O-CB 3.08Å; V428-Y432 WeakPolarHBondContact O-CD1 3.37Å; V428-Y432 PolarHBondContact O-N 3.39Å; V428-Y448 HydrophobicContact CG1-CE2 4.48Å; V428-L486 HydrophobicContact CG2-CD2 4.19Å |
| 429 | E | 93.7 | Very high | 94.4 | Very high | 85 Ų | 85 | 47.7 Ų | 47.7 | 40% | 0.397 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -62.4 | -42.7 | 178.2 | -173.1 | -174.9 | -176.2 | 0 | 0 | 111.4 | K425 G426 S427 Y432 N433 | K425-E429 WeakPolarHBondContact CA-OE2 3.39Å; K425-E429 WeakPolarHBondContact CB-OE2 3.2Å; K425-E429 PolarHBondContact N-OE2 2.54Å; G426-E429 PolarHBondContact O-N 2.71Å; S427-E429 PolarHBondContact O-N 3.09Å; E429-Y432 PolarHBondContact O-N 2.96Å; E429-N433 VanDerWaalsContact O-CB 3.28Å; E429-N433 WeakPolarHBondContact O-CB 3.02Å; E429-N433 PolarHBondContact O-N 2.78Å; E429-N433 PolarHBondContact O-ND2 3.4Å; E429-N433 PolarHBondContact O-OD1 3.33Å |
| 430 | A | 96.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.7 | -44.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | V404 A406 G426 S427 V428 A434 | V404-A430 HydrophobicContact CB-CB 4.13Å; V404-A430 HydrophobicContact CG1-CB 4.17Å; V404-A430 WeakPolarHBondContact O-CB 3.49Å; A406-A430 VanDerWaalsContact CB-C 3.47Å; A406-A430 HydrophobicContact CB-CB 3.76Å; G426-A430 WeakPolarHBondContact O-CB 3.44Å; G426-A430 PolarHBondContact O-N 3.49Å; S427-A430 PolarHBondContact O-N 2.83Å; V428-A430 PolarHBondContact O-N 3.15Å; A430-A434 PolarHBondContact O-N 2.89Å; A430-A434 VanDerWaalsContact O-N 3.09Å |
| 431 | I | 96.7 | Very high | 93.7 | Very high | 2 Ų | 2 | 49.6 Ų | 49.6 | 1% | 0.01 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.4 | -49.3 | 175.7 | -64.6 | 160 | 0 | 0 | 0 | 109.8 | L394 L396 A406 V408 S427 V428 N433 A434 V435 L486 A490 | L394-I431 HydrophobicContact CD1-CD1 4.32Å; L394-I431 HydrophobicContact CD1-CG1 3.75Å; L394-I431 HydrophobicContact CD2-CD1 3.58Å; L394-I431 HydrophobicContact CD2-CG1 3.97Å; L396-I431 HydrophobicContact CD1-CD1 4.41Å; L396-I431 HydrophobicContact CD2-CD1 4.37Å; L396-I431 HydrophobicContact CD2-CG1 4.01Å; A406-I431 HydrophobicContact CB-CG1 4.09Å; V408-I431 HydrophobicContact CG2-CG2 4.36Å; S427-I431 VanDerWaalsContact O-CD1 3.26Å; S427-I431 WeakPolarHBondContact O-CD1 3.5Å; S427-I431 WeakPolarHBondContact O-CG1 3.3Å; S427-I431 PolarHBondContact O-N 2.8Å; V428-I431 PolarHBondContact O-N 3.12Å; I431-N433 PolarHBondContact O-N 3.43Å; I431-A434 WeakPolarHBondContact O-CB 3.28Å; I431-A434 PolarHBondContact O-N 2.99Å; I431-A434 VanDerWaalsContact O-N 3.12Å; I431-V435 HydrophobicContact CG2-CG2 4.46Å; I431-V435 WeakPolarHBondContact O-CG2 3.41Å; I431-V435 PolarHBondContact O-N 2.92Å; I431-L486 HydrophobicContact CD1-CB 3.94Å; I431-L486 HydrophobicContact CD1-CD2 4.4Å; I431-A490 HydrophobicContact CG2-CB 3.63Å |
| 432 | Y | 95.3 | Very high | 93.2 | Very high | 13 Ų | 13 | 49.9 Ų | 49.9 | 5% | 0.051 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -68.4 | -38.2 | -175 | -72.7 | 12.1 | 0 | 0 | 0 | 110.9 | V428 E429 A434 V435 D436 L445 Y448 V465 G489 Y493 | V428-Y432 HydrophobicContact CG1-CD1 4.28Å; V428-Y432 HydrophobicContact CG1-CD2 4.05Å; V428-Y432 HydrophobicContact CG1-CE1 4.04Å; V428-Y432 HydrophobicContact CG1-CE2 3.78Å; V428-Y432 HydrophobicContact CG1-CG 4.29Å; V428-Y432 WeakPolarHBondContact O-CB 3.08Å; V428-Y432 WeakPolarHBondContact O-CD1 3.37Å; V428-Y432 PolarHBondContact O-N 3.39Å; E429-Y432 PolarHBondContact O-N 2.96Å; Y432-A434 VanDerWaalsContact C-N 3.28Å; Y432-A434 PolarHBondContact O-N 3.31Å; Y432-V435 PolarHBondContact O-N 2.98Å; Y432-D436 WeakPolarHBondContact O-CB 3.49Å; Y432-D436 PolarHBondContact O-N 3.23Å; Y432-L445 HydrophobicContact CD2-CD2 4.29Å; Y432-L445 HydrophobicContact CE2-CD1 4.11Å; Y432-L445 HydrophobicContact CE2-CD2 3.82Å; Y432-Y448 WeakPolarHBondContact OH-CD2 3.39Å; Y432-V465 WeakPolarHBondContact OH-CG1 3.38Å; Y432-G489 PolarHBondContact OH-O 3.46Å; Y432-Y493 AromaticContact CD1-CD1 3.48Å; Y432-Y493 HydrophobicContact CD1-CD1 3.48Å; Y432-Y493 VanDerWaalsContact CD1-CD1 3.48Å; Y432-Y493 HydrophobicContact CD1-CD2 4.15Å; Y432-Y493 HydrophobicContact CD1-CE1 4.01Å; Y432-Y493 AromaticContact CD1-CG 3.57Å; Y432-Y493 HydrophobicContact CD1-CG 3.57Å; Y432-Y493 HydrophobicContact CD2-CD1 4.03Å; Y432-Y493 AromaticContact CD2-CD2 3.61Å; Y432-Y493 HydrophobicContact CD2-CD2 3.61Å; Y432-Y493 AromaticContact CD2-CE1 3.92Å; Y432-Y493 HydrophobicContact CD2-CE1 3.92Å; Y432-Y493 AromaticContact CD2-CE2 3.46Å; Y432-Y493 HydrophobicContact CD2-CE2 3.46Å; Y432-Y493 VanDerWaalsContact CD2-CE2 3.46Å; Y432-Y493 AromaticContact CD2-CG 3.89Å; Y432-Y493 HydrophobicContact CD2-CG 3.89Å; Y432-Y493 AromaticContact CD2-CZ 3.65Å; Y432-Y493 AromaticContact CE1-CD1 3.92Å; Y432-Y493 HydrophobicContact CE1-CD1 3.92Å; Y432-Y493 AromaticContact CE1-CD2 3.95Å; Y432-Y493 HydrophobicContact CE1-CD2 3.95Å; Y432-Y493 AromaticContact CE1-CG 3.49Å; Y432-Y493 HydrophobicContact CE1-CG 3.49Å; Y432-Y493 VanDerWaalsContact CE1-CG 3.49Å; Y432-Y493 HydrophobicContact CE2-CD1 4.41Å; Y432-Y493 AromaticContact CE2-CD2 3.37Å; Y432-Y493 HydrophobicContact CE2-CD2 3.37Å; Y432-Y493 AromaticContact CE2-CE2 3.63Å; Y432-Y493 HydrophobicContact CE2-CE2 3.63Å; Y432-Y493 AromaticContact CE2-CG 3.81Å; Y432-Y493 HydrophobicContact CE2-CG 3.81Å; Y432-Y493 AromaticContact CG-CD1 3.54Å; Y432-Y493 HydrophobicContact CG-CD1 3.54Å; Y432-Y493 HydrophobicContact CG-CD2 4Å; Y432-Y493 AromaticContact CG-CE1 3.56Å; Y432-Y493 HydrophobicContact CG-CE1 3.56Å; Y432-Y493 HydrophobicContact CG-CE2 4Å; Y432-Y493 AromaticContact CG-CG 3.78Å; Y432-Y493 HydrophobicContact CG-CG 3.78Å; Y432-Y493 AromaticContact CG-CZ 3.81Å; Y432-Y493 AromaticContact CZ-CD2 3.56Å; Y432-Y493 AromaticContact CZ-CG 3.61Å |
| 433 | N | 95.3 | Very high | 93 | Very high | 58 Ų | 58 | 50.2 Ų | 50.2 | 31% | 0.31 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -60.3 | -36.8 | 171.7 | -70.9 | -15.5 | 0 | 0 | 0 | 112.4 | A422 N423 E429 I431 K437 | A422-N433 HydrophobicContact CB-CB 3.79Å; N423-N433 PolarHBondContact O-ND2 3.31Å; E429-N433 VanDerWaalsContact O-CB 3.28Å; E429-N433 WeakPolarHBondContact O-CB 3.02Å; E429-N433 PolarHBondContact O-N 2.78Å; E429-N433 PolarHBondContact O-ND2 3.4Å; E429-N433 PolarHBondContact O-OD1 3.33Å; I431-N433 PolarHBondContact O-N 3.43Å; N433-K437 WeakPolarHBondContact O-CB 3.46Å; N433-K437 PolarHBondContact O-N 2.92Å |
| 434 | A | 96.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -70.2 | -41.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | V408 V420 A422 A430 I431 Y432 K437 F438 | V408-A434 HydrophobicContact CB-CB 4.2Å; V408-A434 HydrophobicContact CG2-CB 3.64Å; V420-A434 HydrophobicContact CG1-CB 4.35Å; V420-A434 VanDerWaalsContact CG1-O 3.23Å; V420-A434 WeakPolarHBondContact CG1-O 3.31Å; A422-A434 HydrophobicContact CB-CB 3.77Å; A430-A434 PolarHBondContact O-N 2.89Å; A430-A434 VanDerWaalsContact O-N 3.09Å; I431-A434 WeakPolarHBondContact O-CB 3.28Å; I431-A434 PolarHBondContact O-N 2.99Å; I431-A434 VanDerWaalsContact O-N 3.12Å; Y432-A434 VanDerWaalsContact C-N 3.28Å; Y432-A434 PolarHBondContact O-N 3.31Å; A434-K437 PolarHBondContact O-N 2.9Å; A434-F438 PolarHBondContact O-N 2.97Å |
| 435 | V | 95 | Very high | 92.8 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.6 | -47.1 | 175.4 | 175.2 | 0 | 0 | 0 | 0 | 111.1 | V408 I431 Y432 K437 F438 F439 Y493 V494 N497 | V408-V435 HydrophobicContact CG1-CG2 4.41Å; I431-V435 HydrophobicContact CG2-CG2 4.46Å; I431-V435 WeakPolarHBondContact O-CG2 3.41Å; I431-V435 PolarHBondContact O-N 2.92Å; Y432-V435 PolarHBondContact O-N 2.98Å; V435-K437 VanDerWaalsContact C-N 3.26Å; V435-K437 PolarHBondContact O-N 3.32Å; V435-F438 WeakPolarHBondContact O-CB 3.44Å; V435-F438 PolarHBondContact O-N 3.33Å; V435-F439 HydrophobicContact CG1-CD2 3.69Å; V435-F439 HydrophobicContact CG1-CE2 3.78Å; V435-F439 WeakPolarHBondContact O-CD2 3.3Å; V435-F439 PolarHBondContact O-N 2.99Å; V435-Y493 HydrophobicContact CB-CD1 3.83Å; V435-Y493 HydrophobicContact CB-CE1 4.16Å; V435-Y493 HydrophobicContact CG1-CD1 3.66Å; V435-Y493 HydrophobicContact CG1-CE1 4.08Å; V435-Y493 HydrophobicContact CG2-CD1 4.34Å; V435-V494 HydrophobicContact CG1-CG2 3.97Å; V435-V494 HydrophobicContact CG2-CG2 3.75Å; V435-N497 HydrophobicContact CG1-CB 4.27Å |
| 436 | D | 93.9 | Very high | 92.4 | Very high | 38 Ų | 38 | 50.5 Ų | 50.5 | 20% | 0.203 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.4 | -39.1 | 176.9 | -69.3 | -14.4 | 0 | 0 | 0 | 110.8 | Y432 N440 V443 Y493 | Y432-D436 WeakPolarHBondContact O-CB 3.49Å; Y432-D436 PolarHBondContact O-N 3.23Å; D436-N440 WeakPolarHBondContact O-CA 3.35Å; D436-N440 PolarHBondContact O-N 2.68Å; D436-V443 WeakPolarHBondContact OD1-CG2 3.42Å; D436-Y493 WeakPolarHBondContact OD1-CE1 3.43Å; D436-Y493 PolarHBondContact OD1-OH 2.87Å; D436-Y493 PolarHBondContact OD2-OH 3.41Å |
| 437 | K | 93.6 | Very high | 92.2 | Very high | 132 Ų | 132 | 51.5 Ų | 51.5 | 57% | 0.574 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -65.6 | -36.1 | 174.1 | 179.1 | 177.3 | 171.7 | -174.9 | 0 | 113 | V420 I421 N433 A434 V435 | V420-K437 HydrophobicContact CG1-CB 4.03Å; V420-K437 HydrophobicContact CG1-CD 3.82Å; V420-K437 HydrophobicContact CG1-CG 3.89Å; I421-K437 PolarHBondContact O-NZ 3.34Å; N433-K437 WeakPolarHBondContact O-CB 3.46Å; N433-K437 PolarHBondContact O-N 2.92Å; A434-K437 PolarHBondContact O-N 2.9Å; V435-K437 VanDerWaalsContact C-N 3.26Å; V435-K437 PolarHBondContact O-N 3.32Å |
| 438 | F | 93.9 | Very high | 92 | Very high | 47 Ų | 47 | 53.4 Ų | 53.4 | 21% | 0.206 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -66.7 | -50.7 | 176 | 178.1 | -97.1 | 0 | 0 | 0 | 111.5 | F389 M410 V418 V420 A434 V435 N440 | F389-F438 HydrophobicContact CB-CE1 3.89Å; F389-F438 HydrophobicContact CB-CZ 3.58Å; F389-F438 HydrophobicContact CD1-CE2 4.43Å; F389-F438 AromaticContact CD1-CZ 3.99Å; F389-F438 HydrophobicContact CD1-CZ 3.99Å; F389-F438 AromaticContact CD2-CZ 3.76Å; F389-F438 HydrophobicContact CD2-CZ 3.76Å; F389-F438 HydrophobicContact CE2-CZ 4.42Å; F389-F438 HydrophobicContact CG-CE1 4.3Å; F389-F438 HydrophobicContact CG-CE2 4.36Å; F389-F438 AromaticContact CG-CZ 3.51Å; F389-F438 HydrophobicContact CG-CZ 3.51Å; M410-F438 HydrophobicContact CB-CD2 4.22Å; M410-F438 HydrophobicContact CB-CE2 3.79Å; M410-F438 HydrophobicContact CB-CZ 3.98Å; M410-F438 HydrophobicContact CE-CD1 3.89Å; M410-F438 HydrophobicContact CE-CE1 3.73Å; M410-F438 HydrophobicContact CE-CZ 4.25Å; M410-F438 HydrophobicContact CG-CD1 4.16Å; M410-F438 HydrophobicContact CG-CD2 3.73Å; M410-F438 HydrophobicContact CG-CE1 4.25Å; M410-F438 HydrophobicContact CG-CE2 3.81Å; M410-F438 HydrophobicContact CG-CG 3.9Å; M410-F438 HydrophobicContact CG-CZ 4.09Å; V418-F438 HydrophobicContact CB-CE2 4.05Å; V418-F438 HydrophobicContact CG1-CD2 4.11Å; V418-F438 HydrophobicContact CG1-CE2 3.89Å; V420-F438 HydrophobicContact CG2-CB 3.89Å; V420-F438 HydrophobicContact CG2-CD2 3.67Å; V420-F438 HydrophobicContact CG2-CG 4.24Å; A434-F438 PolarHBondContact O-N 2.97Å; V435-F438 WeakPolarHBondContact O-CB 3.44Å; V435-F438 PolarHBondContact O-N 3.33Å; F438-N440 VanDerWaalsContact C-N 3.34Å |
| 439 | F | 91.3 | Very high | 91.5 | Very high | 15 Ų | 15 | 54.3 Ų | 54.3 | 7% | 0.066 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -76.7 | -21.8 | -178.2 | -75 | -80.2 | 0 | 0 | 0 | 113.3 | M410 V435 Q441 V494 N497 A498 Q501 | M410-F439 HydrophobicContact CE-CE2 4.35Å; M410-F439 HydrophobicContact CE-CZ 4.4Å; V435-F439 HydrophobicContact CG1-CD2 3.69Å; V435-F439 HydrophobicContact CG1-CE2 3.78Å; V435-F439 WeakPolarHBondContact O-CD2 3.3Å; V435-F439 PolarHBondContact O-N 2.99Å; F439-Q441 HydrophobicContact CB-CG 3.81Å; F439-Q441 PolarHBondContact O-N 3.25Å; F439-V494 HydrophobicContact CE2-CG1 4.33Å; F439-V494 HydrophobicContact CZ-CG1 4.27Å; F439-N497 HydrophobicContact CB-CB 4.49Å; F439-N497 HydrophobicContact CD1-CB 4.27Å; F439-N497 HydrophobicContact CD2-CB 3.4Å; F439-N497 HydrophobicContact CE1-CB 4.36Å; F439-N497 HydrophobicContact CE2-CB 3.51Å; F439-N497 HydrophobicContact CG-CB 3.81Å; F439-N497 HydrophobicContact CZ-CB 4.01Å; F439-A498 HydrophobicContact CE1-CB 4.19Å; F439-A498 HydrophobicContact CZ-CB 4.18Å; F439-Q501 HydrophobicContact CD1-CB 4.03Å; F439-Q501 HydrophobicContact CD1-CG 4.43Å; F439-Q501 HydrophobicContact CE1-CB 4.37Å |
| 440 | N | 90.1 | Very high | 91.1 | Very high | 145 Ų | 145 | 54.9 Ų | 54.9 | 78% | 0.775 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | 52.1 | 179.6 | -171.5 | 55 | 0 | 0 | 0 | 112.8 | D436 F438 | D436-N440 WeakPolarHBondContact O-CA 3.35Å; D436-N440 PolarHBondContact O-N 2.68Å; F438-N440 VanDerWaalsContact C-N 3.34Å |
| 441 | Q | 85.8 | Confident | 90.1 | Very high | 23 Ų | 23 | 59.3 Ų | 59.3 | 11% | 0.107 | 30% | 0.299 | C | S | . | . | trans | -137.4 | 157.5 | -178.3 | 62.2 | -167.7 | -1.5 | 0 | 0 | 111.2 | F439 V443 N497 V500 Q501 N504 | F439-Q441 HydrophobicContact CB-CG 3.81Å; F439-Q441 PolarHBondContact O-N 3.25Å; Q441-V443 HydrophobicContact CG-CG1 4.2Å; Q441-N497 VanDerWaalsContact NE2-CB 3.33Å; Q441-N497 PolarHBondContact NE2-O 2.9Å; Q441-N497 PolarHBondContact NE2-OD1 2.91Å; Q441-V500 HydrophobicContact CG-CG1 4.19Å; Q441-V500 VanDerWaalsContact OE1-CG1 3.25Å; Q441-Q501 VanDerWaalsContact OE1-N 3.1Å; Q441-N504 PolarHBondContact OE1-ND2 3.45Å | ||
| 442 | T | 87.4 | Confident | 88.9 | Confident | 82 Ų | 82 | 62.9 Ų | 62.9 | 50% | 0.503 | 33% | 0.329 | S | S | . | . | trans | -98.4 | 106.9 | -176.5 | -48.9 | 0 | 0 | 0 | 0 | 110.4 | V470 | T442-V470 HydrophobicContact CG2-CB 3.98Å; T442-V470 HydrophobicContact CG2-CG1 4.39Å; T442-V470 HydrophobicContact CG2-CG2 4.02Å; T442-V470 PolarHBondContact O-N 2.78Å; T442-V470 VanDerWaalsContact O-N 3.14Å | ||
| 443 | V | 91.9 | Very high | 87.5 | Confident | 22 Ų | 22 | 65 Ų | 65 | 13% | 0.133 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 156.3 | 179.7 | -64.7 | 0 | 0 | 0 | 0 | 111.8 | D436 Q441 I467 E468 Y493 V500 | D436-V443 WeakPolarHBondContact OD1-CG2 3.42Å; Q441-V443 HydrophobicContact CG-CG1 4.2Å; V443-I467 HydrophobicContact CB-CD1 4.3Å; V443-I467 HydrophobicContact CG1-CD1 4.11Å; V443-E468 CarbonylContact C-O 3.2Å; V443-E468 VanDerWaalsContact CA-O 3.27Å; V443-E468 WeakPolarHBondContact CA-O 3.5Å; V443-Y493 VanDerWaalsContact CG2-OH 3.32Å; V443-Y493 WeakPolarHBondContact CG2-OH 3.49Å; V443-V500 HydrophobicContact CG1-CB 4.19Å; V443-V500 HydrophobicContact CG1-CG1 3.78Å; V443-V500 HydrophobicContact CG1-CG2 3.82Å |
| 444 | R | 92 | Very high | 85.4 | Confident | 132 Ų | 132 | 65.7 Ų | 65.7 | 50% | 0.498 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 120.5 | 174.6 | 176.3 | 166.3 | 66.8 | -165 | 4.6 | 110.2 | L446 I467 E468 V470 | R444-L446 HydrophobicContact CG-CD2 4.26Å; R444-L446 PolarHBondContact O-N 3.19Å; R444-I467 CarbonylContact O-C 3.6Å; R444-I467 WeakPolarHBondContact O-CA 3.46Å; R444-E468 HydrophobicContact CB-CB 4.36Å; R444-E468 IonicContact CZ-OE1 2.82Å; R444-E468 IonicContact CZ-OE2 3.66Å; R444-E468 PolarHBondContact N-O 3.2Å; R444-E468 IonicContact NE-OE2 3.89Å; R444-E468 PolarHBondContact NE-OE2 3.09Å; R444-E468 IonicContact NH2-OE1 2.82Å; R444-E468 PolarHBondContact NH2-OE1 2.94Å; R444-E468 IonicContact NH2-OE2 3.7Å; R444-E468 PolarHBondContact NH2-OE2 3.06Å; R444-E468 PolarHBondContact O-N 2.72Å; R444-V470 HydrophobicContact CB-CG2 4Å |
| 445 | L | 91.8 | Very high | 83.5 | Confident | 68 Ų | 68 | 73.1 Ų | 73.1 | 36% | 0.356 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 122 | 171.9 | -175.5 | 71.7 | 0 | 0 | 0 | 110.2 | Y432 S447 V465 I467 Y493 | Y432-L445 HydrophobicContact CD2-CD2 4.29Å; Y432-L445 HydrophobicContact CE2-CD1 4.11Å; Y432-L445 HydrophobicContact CE2-CD2 3.82Å; L445-S447 WeakPolarHBondContact CD1-O 3.42Å; L445-V465 HydrophobicContact CD1-CB 4.09Å; L445-V465 HydrophobicContact CD1-CG1 4.33Å; L445-I467 HydrophobicContact CD1-CG2 3.93Å; L445-Y493 HydrophobicContact CD1-CD2 4.37Å; L445-Y493 HydrophobicContact CD1-CE2 4.16Å |
| 446 | L | 84 | Confident | 81.8 | Confident | 82 Ų | 82 | 75.7 Ų | 75.7 | 43% | 0.429 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | -40.1 | 177.9 | -62.5 | -176.4 | 0 | 0 | 0 | 112.5 | R444 S466 E468 I475 | R444-L446 HydrophobicContact CG-CD2 4.26Å; R444-L446 PolarHBondContact O-N 3.19Å; L446-S466 PolarHBondContact N-O 2.97Å; L446-E468 HydrophobicContact CD1-CB 4.01Å; L446-E468 HydrophobicContact CD2-CB 4.4Å; L446-E468 HydrophobicContact CG-CB 4.11Å; L446-I475 HydrophobicContact CD1-CB 4.4Å; L446-I475 HydrophobicContact CD1-CD1 3.49Å; L446-I475 VanDerWaalsContact CD1-CD1 3.49Å; L446-I475 HydrophobicContact CD1-CG1 3.63Å; L446-I475 HydrophobicContact CD1-CG2 3.9Å |
| 447 | S | 85.5 | Confident | 80.7 | Confident | 47 Ų | 47 | 82.8 Ų | 82.8 | 33% | 0.329 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 148.3 | -179.5 | 89.7 | 0 | 0 | 0 | 0 | 111.6 | L445 V465 S466 | L445-S447 WeakPolarHBondContact CD1-O 3.42Å; S447-V465 WeakPolarHBondContact O-CA 3.49Å; S447-S466 PolarHBondContact N-O 3.49Å; S447-S466 PolarHBondContact O-N 3.31Å; S447-S466 VanDerWaalsContact OG-CB 3.25Å; S447-S466 WeakPolarHBondContact OG-CB 3.48Å; S447-S466 PolarHBondContact OG-N 2.87Å; S447-S466 PolarHBondContact OG-OG 3.36Å |
| 448 | Y | 88.7 | Confident | 79.7 | Confident | 79 Ų | 79 | 82 Ų | 82 | 31% | 0.31 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 118.6 | 173 | 176.4 | -80.3 | 0 | 0 | 0 | 107.2 | V428 Y432 M450 V463 S464 V465 | V428-Y448 HydrophobicContact CG1-CE2 4.48Å; Y432-Y448 WeakPolarHBondContact OH-CD2 3.39Å; Y448-M450 HydrophobicContact CE1-CB 4.11Å; Y448-V463 HydrophobicContact CD2-CG1 3.97Å; Y448-V463 HydrophobicContact CE1-CG1 4.47Å; Y448-V463 HydrophobicContact CE2-CG1 3.41Å; Y448-V463 VanDerWaalsContact CE2-CG1 3.41Å; Y448-S464 WeakPolarHBondContact CA-O 3.5Å; Y448-V465 HydrophobicContact CD2-CG1 4Å |
| 449 | T | 82.5 | Confident | 78.5 | Confident | 71 Ų | 71 | 80.9 Ų | 80.9 | 44% | 0.436 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 144 | 174.3 | 61 | 0 | 0 | 0 | 0 | 110.1 | V463 S464 | T449-V463 CarbonylContact O-C 3.51Å; T449-V463 WeakPolarHBondContact O-CA 3.38Å; T449-S464 PolarHBondContact N-O 3.36Å; T449-S464 PolarHBondContact O-N 2.9Å |
| 450 | M | 85.8 | Confident | 77.6 | Confident | 97 Ų | 97 | 83.2 Ų | 83.2 | 48% | 0.478 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 126.8 | -179 | 178.9 | -178.7 | 70.3 | 0 | 0 | 109 | Y448 R462 V463 V485 | Y448-M450 HydrophobicContact CE1-CB 4.11Å; M450-R462 WeakPolarHBondContact CA-O 3.25Å; M450-V463 HydrophobicContact CB-CG2 4.23Å; M450-V463 HydrophobicContact CG-CG2 4Å; M450-V485 HydrophobicContact SD-CB 3.64Å; M450-V485 HydrophobicContact SD-CG1 3.5Å; M450-V485 VanDerWaalsContact SD-CG1 3.5Å |
| 451 | D | 75.6 | Confident | 77 | Confident | 93 Ų | 93 | 76.6 Ų | 76.6 | 50% | 0.497 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 140 | 179.9 | -60.6 | -68.7 | 0 | 0 | 0 | 109.5 | R462 | D451-R462 PolarHBondContact N-O 3.42Å; D451-R462 PolarHBondContact O-N 3.33Å |
| 452 | A | 71.8 | Confident | 76.8 | Confident | 77 Ų | 77 | 80.7 Ų | 80.7 | 64% | 0.636 | 44% | 0.442 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 132.4 | 164.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||
| 453 | V | 64.8 | Low | 76.7 | Confident | 58 Ų | 58 | 76.8 Ų | 76.8 | 35% | 0.352 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -84.1 | -34.2 | 177.6 | -178.9 | 0 | 0 | 0 | 0 | 110.7 | Q460 R462 | V453-Q460 HydrophobicContact CB-CB 4.04Å; V453-Q460 WeakPolarHBondContact CB-O 3.38Å; V453-Q460 HydrophobicContact CG2-CB 4.19Å; V453-Q460 WeakPolarHBondContact CG2-O 2.96Å; V453-Q460 PolarHBondContact N-O 3.21Å; V453-R462 HydrophobicContact CG2-CB 3.71Å |
| 454 | T | 51 | Low | 76.2 | Confident | 71 Ų | 71 | 77.4 Ų | 77.4 | 44% | 0.436 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -132.5 | 168.2 | 177.8 | 59.2 | 0 | 0 | 0 | 0 | 110.8 | S459 | T454-S459 PolarHBondContact N-OG 3.08Å; T454-S459 WeakPolarHBondContact O-CB 3.39Å; T454-S459 PolarHBondContact O-OG 3.17Å; T454-S459 WeakPolarHBondContact OG1-CA 3.37Å |
| 455 | D | 57.2 | Low | 76 | Confident | 157 Ų | 157 | 71.2 Ų | 71.2 | 84% | 0.84 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -83.9 | 163.3 | 170.4 | -61.8 | -48.9 | 0 | 0 | 0 | 110.6 | ||
| 456 | G | 59.7 | Low | 75.6 | Confident | 54 Ų | 54 | 69 Ų | 69 | 56% | 0.557 | 39% | 0.39 | S | S | * | . | S | Bend | trans | 102.5 | 170.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | D458 S459 | G456-D458 PolarHBondContact O-N 2.85Å; G456-S459 VanDerWaalsContact O-CB 3.25Å; G456-S459 WeakPolarHBondContact O-CB 3.42Å; G456-S459 PolarHBondContact O-N 2.79Å |
| 457 | I | 70.9 | Confident | 75.8 | Confident | 186 Ų | 186 | 65 Ų | 65 | 95% | 0.954 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -16.4 | -179.3 | 60.7 | 170.4 | 0 | 0 | 0 | 112.9 | ||
| 458 | D | 71.4 | Confident | 75.9 | Confident | 116 Ų | 116 | 64.2 Ų | 64.2 | 62% | 0.62 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.6 | 18.1 | 176.3 | 60.4 | -29.6 | 0 | 0 | 0 | 111.9 | G456 F483 | G456-D458 PolarHBondContact O-N 2.85Å; D458-F483 WeakPolarHBondContact O-CD1 3.39Å; D458-F483 WeakPolarHBondContact O-CE1 3.32Å |
| 459 | S | 68.6 | Low | 75.8 | Confident | 23 Ų | 23 | 60.5 Ų | 60.5 | 16% | 0.161 | 35% | 0.346 | C | S | . | . | P | Polyproline II helix | trans | -61.3 | 138 | 178.3 | 179.4 | 0 | 0 | 0 | 0 | 112.4 | T454 G456 | T454-S459 PolarHBondContact N-OG 3.08Å; T454-S459 WeakPolarHBondContact O-CB 3.39Å; T454-S459 PolarHBondContact O-OG 3.17Å; T454-S459 WeakPolarHBondContact OG1-CA 3.37Å; G456-S459 VanDerWaalsContact O-CB 3.25Å; G456-S459 WeakPolarHBondContact O-CB 3.42Å; G456-S459 PolarHBondContact O-N 2.79Å |
| 460 | Q | 72.5 | Confident | 76.1 | Confident | 64 Ų | 64 | 60.6 Ų | 60.6 | 30% | 0.299 | 35% | 0.346 | S | S | . | . | P | Polyproline II helix | trans | -77 | 141 | 167.1 | -69.1 | 180 | -5.3 | 0 | 0 | 110.3 | V453 I481 D482 F483 | V453-Q460 HydrophobicContact CB-CB 4.04Å; V453-Q460 WeakPolarHBondContact CB-O 3.38Å; V453-Q460 HydrophobicContact CG2-CB 4.19Å; V453-Q460 WeakPolarHBondContact CG2-O 2.96Å; V453-Q460 PolarHBondContact N-O 3.21Å; Q460-I481 HydrophobicContact CB-CG2 4.37Å; Q460-D482 WeakPolarHBondContact CA-O 3.48Å; Q460-F483 HydrophobicContact CG-CD1 3.67Å; Q460-F483 HydrophobicContact CG-CD2 4.36Å; Q460-F483 HydrophobicContact CG-CE1 3.55Å; Q460-F483 HydrophobicContact CG-CE2 4.25Å; Q460-F483 HydrophobicContact CG-CG 4.1Å; Q460-F483 HydrophobicContact CG-CZ 3.87Å |
| 461 | A | 77.4 | Confident | 76 | Confident | 6 Ų | 6 | 61.5 Ų | 61.5 | 5% | 0.05 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 132.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | I481 D482 V485 A488 | A461-I481 WeakPolarHBondContact O-CA 3.15Å; A461-D482 PolarHBondContact N-O 3.01Å; A461-D482 PolarHBondContact O-N 3.27Å; A461-D482 VanDerWaalsContact O-N 3.16Å; A461-V485 HydrophobicContact CB-CB 4.17Å; A461-V485 HydrophobicContact CB-CG1 3.49Å; A461-V485 VanDerWaalsContact CB-CG1 3.49Å; A461-A488 HydrophobicContact CB-CB 4.37Å; A461-A488 WeakPolarHBondContact O-CB 3.34Å |
| 462 | R | 81.2 | Confident | 76.2 | Confident | 109 Ų | 109 | 58.1 Ų | 58.1 | 41% | 0.411 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 122.4 | 164.2 | -179.6 | 179.4 | -59.9 | 176.7 | 4.1 | 108.2 | M450 D451 V453 G480 I481 | M450-R462 WeakPolarHBondContact CA-O 3.25Å; D451-R462 PolarHBondContact N-O 3.42Å; D451-R462 PolarHBondContact O-N 3.33Å; V453-R462 HydrophobicContact CG2-CB 3.71Å; R462-G480 WeakPolarHBondContact CA-O 3.21Å; R462-I481 HydrophobicContact CB-CG1 4.2Å; R462-I481 HydrophobicContact CG-CG1 4.05Å |
| 463 | V | 86.1 | Confident | 76.6 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 132.5 | 171.8 | 178.1 | 0 | 0 | 0 | 0 | 108.7 | Y448 T449 M450 V465 S479 G480 A488 A492 | Y448-V463 HydrophobicContact CD2-CG1 3.97Å; Y448-V463 HydrophobicContact CE1-CG1 4.47Å; Y448-V463 HydrophobicContact CE2-CG1 3.41Å; Y448-V463 VanDerWaalsContact CE2-CG1 3.41Å; T449-V463 CarbonylContact O-C 3.51Å; T449-V463 WeakPolarHBondContact O-CA 3.38Å; M450-V463 HydrophobicContact CB-CG2 4.23Å; M450-V463 HydrophobicContact CG-CG2 4Å; V463-V465 HydrophobicContact CG1-CG1 4.22Å; V463-S479 CarbonylContact O-C 3.49Å; V463-S479 WeakPolarHBondContact O-CA 3.24Å; V463-S479 WeakPolarHBondContact O-CB 3.34Å; V463-G480 PolarHBondContact N-O 3.02Å; V463-G480 PolarHBondContact O-N 2.82Å; V463-A488 HydrophobicContact CB-CB 4.22Å; V463-A488 HydrophobicContact CG2-CB 3.77Å; V463-A492 HydrophobicContact CB-CB 4.49Å; V463-A492 HydrophobicContact CG1-CB 4.3Å |
| 464 | S | 82.5 | Confident | 77.1 | Confident | 35 Ų | 35 | 53.3 Ų | 53.3 | 25% | 0.245 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 137.1 | 172.7 | -51.1 | 0 | 0 | 0 | 0 | 109.6 | Y448 T449 A478 | Y448-S464 WeakPolarHBondContact CA-O 3.5Å; T449-S464 PolarHBondContact N-O 3.36Å; T449-S464 PolarHBondContact O-N 2.9Å; S464-A478 WeakPolarHBondContact CA-O 3.36Å |
| 465 | V | 87.1 | Confident | 78.3 | Confident | 2 Ų | 2 | 52.7 Ų | 52.7 | 1% | 0.012 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 146.2 | 179.3 | -59.6 | 0 | 0 | 0 | 0 | 110.8 | Y432 L445 S447 Y448 V463 N477 A478 A492 A496 | Y432-V465 WeakPolarHBondContact OH-CG1 3.38Å; L445-V465 HydrophobicContact CD1-CB 4.09Å; L445-V465 HydrophobicContact CD1-CG1 4.33Å; S447-V465 WeakPolarHBondContact O-CA 3.49Å; Y448-V465 HydrophobicContact CD2-CG1 4Å; V463-V465 HydrophobicContact CG1-CG1 4.22Å; V465-N477 VanDerWaalsContact O-CA 3.3Å; V465-N477 WeakPolarHBondContact O-CA 3.41Å; V465-A478 HydrophobicContact CG2-CB 4.41Å; V465-A478 PolarHBondContact N-O 2.76Å; V465-A478 PolarHBondContact O-N 3.35Å; V465-A492 HydrophobicContact CG1-CB 4.04Å; V465-A492 HydrophobicContact CG2-CB 3.95Å; V465-A496 HydrophobicContact CG2-CB 3.92Å |
| 466 | S | 82.5 | Confident | 79.3 | Confident | 21 Ų | 21 | 45.4 Ų | 45.4 | 15% | 0.147 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 121.1 | 165.3 | -59.1 | 0 | 0 | 0 | 0 | 108.4 | L446 S447 F476 N477 | L446-S466 PolarHBondContact N-O 2.97Å; S447-S466 PolarHBondContact N-O 3.49Å; S447-S466 PolarHBondContact O-N 3.31Å; S447-S466 VanDerWaalsContact OG-CB 3.25Å; S447-S466 WeakPolarHBondContact OG-CB 3.48Å; S447-S466 PolarHBondContact OG-N 2.87Å; S447-S466 PolarHBondContact OG-OG 3.36Å; S466-F476 CarbonylContact C-O 3.53Å; S466-F476 WeakPolarHBondContact CA-O 3.21Å; S466-N477 WeakPolarHBondContact CA-OD1 3.24Å; S466-N477 WeakPolarHBondContact CB-OD1 3.44Å; S466-N477 PolarHBondContact OG-OD1 2.7Å |
| 467 | I | 88.2 | Confident | 80.2 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 145.2 | 175.1 | 75.8 | 176.3 | 0 | 0 | 0 | 110.5 | V443 R444 L445 I475 F476 Y493 A496 V500 | V443-I467 HydrophobicContact CB-CD1 4.3Å; V443-I467 HydrophobicContact CG1-CD1 4.11Å; R444-I467 CarbonylContact O-C 3.6Å; R444-I467 WeakPolarHBondContact O-CA 3.46Å; L445-I467 HydrophobicContact CD1-CG2 3.93Å; I467-I475 CarbonylContact O-C 3.39Å; I467-I475 WeakPolarHBondContact O-CA 3.49Å; I467-F476 HydrophobicContact CG1-CB 4.19Å; I467-F476 PolarHBondContact N-O 2.99Å; I467-F476 PolarHBondContact O-N 2.8Å; I467-Y493 HydrophobicContact CG2-CD2 3.85Å; I467-Y493 HydrophobicContact CG2-CE2 3.53Å; I467-A496 VanDerWaalsContact CD1-C 3.44Å; I467-A496 HydrophobicContact CD1-CB 3.46Å; I467-A496 VanDerWaalsContact CD1-CB 3.46Å; I467-A496 HydrophobicContact CG1-CB 3.78Å; I467-A496 HydrophobicContact CG2-CB 4.17Å; I467-V500 HydrophobicContact CD1-CG2 3.69Å; I467-V500 HydrophobicContact CG1-CG2 4.17Å |
| 468 | E | 87.7 | Confident | 80.5 | Confident | 30 Ų | 30 | 36.6 Ų | 36.6 | 14% | 0.14 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 129.2 | 174.7 | -178 | -173.8 | -172.8 | 0 | 0 | 109.9 | V443 R444 L446 V470 T474 I475 | V443-E468 CarbonylContact C-O 3.2Å; V443-E468 VanDerWaalsContact CA-O 3.27Å; V443-E468 WeakPolarHBondContact CA-O 3.5Å; R444-E468 HydrophobicContact CB-CB 4.36Å; R444-E468 IonicContact CZ-OE1 2.82Å; R444-E468 IonicContact CZ-OE2 3.66Å; R444-E468 PolarHBondContact N-O 3.2Å; R444-E468 IonicContact NE-OE2 3.89Å; R444-E468 PolarHBondContact NE-OE2 3.09Å; R444-E468 IonicContact NH2-OE1 2.82Å; R444-E468 PolarHBondContact NH2-OE1 2.94Å; R444-E468 IonicContact NH2-OE2 3.7Å; R444-E468 PolarHBondContact NH2-OE2 3.06Å; R444-E468 PolarHBondContact O-N 2.72Å; L446-E468 HydrophobicContact CD1-CB 4.01Å; L446-E468 HydrophobicContact CD2-CB 4.4Å; L446-E468 HydrophobicContact CG-CB 4.11Å; E468-V470 PolarHBondContact O-N 2.76Å; E468-T474 CarbonylContact C-O 3.45Å; E468-T474 VanDerWaalsContact CA-O 3.28Å; E468-T474 WeakPolarHBondContact CA-O 3.3Å; E468-I475 HydrophobicContact CB-CG1 4.35Å; E468-I475 HydrophobicContact CG-CG1 4.39Å |
| 469 | N | 87.6 | Confident | 80.9 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 114.3 | 164.7 | -177.9 | -9 | 0 | 0 | 0 | 108.5 | D471 T472 G473 T474 F476 V500 E503 N504 | N469-D471 PolarHBondContact O-N 2.91Å; N469-D471 PolarHBondContact OD1-N 3.07Å; N469-T472 WeakPolarHBondContact CB-OG1 3.41Å; N469-T472 PolarHBondContact ND2-OG1 2.74Å; N469-T472 PolarHBondContact O-N 3.41Å; N469-G473 WeakPolarHBondContact O-CA 3.22Å; N469-G473 PolarHBondContact O-N 2.78Å; N469-T474 PolarHBondContact N-O 2.93Å; N469-F476 HydrophobicContact CB-CE2 4.25Å; N469-V500 HydrophobicContact CB-CG1 3.89Å; N469-V500 HydrophobicContact CB-CG2 4.28Å; N469-E503 WeakPolarHBondContact CB-OE2 3.3Å; N469-E503 PolarHBondContact ND2-OE2 3.17Å; N469-N504 PolarHBondContact ND2-OD1 3.3Å |
| 470 | V | 88.5 | Confident | 81.4 | Confident | 73 Ų | 73 | 33.1 Ų | 33.1 | 44% | 0.442 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -26.3 | -174.9 | 178.8 | 0 | 0 | 0 | 0 | 111.8 | T442 R444 E468 | T442-V470 HydrophobicContact CG2-CB 3.98Å; T442-V470 HydrophobicContact CG2-CG1 4.39Å; T442-V470 HydrophobicContact CG2-CG2 4.02Å; T442-V470 PolarHBondContact O-N 2.78Å; T442-V470 VanDerWaalsContact O-N 3.14Å; R444-V470 HydrophobicContact CB-CG2 4Å; E468-V470 PolarHBondContact O-N 2.76Å |
| 471 | D | 84.1 | Confident | 81.7 | Confident | 116 Ų | 116 | 33.7 Ų | 33.7 | 62% | 0.62 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -28.6 | -178.3 | -65.4 | -33.5 | 0 | 0 | 0 | 112.6 | N469 | N469-D471 PolarHBondContact O-N 2.91Å; N469-D471 PolarHBondContact OD1-N 3.07Å |
| 472 | T | 80.3 | Confident | 82.1 | Confident | 23 Ų | 23 | 35.7 Ų | 35.7 | 14% | 0.141 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.3 | -17.3 | -175.6 | 63.2 | 0 | 0 | 0 | 0 | 113.8 | N469 T474 E503 A511 | N469-T472 WeakPolarHBondContact CB-OG1 3.41Å; N469-T472 PolarHBondContact ND2-OG1 2.74Å; N469-T472 PolarHBondContact O-N 3.41Å; T472-T474 PolarHBondContact O-N 3Å; T472-T474 WeakPolarHBondContact OG1-CB 3.26Å; T472-T474 PolarHBondContact OG1-N 3.17Å; T472-T474 PolarHBondContact OG1-OG1 3.23Å; T472-E503 WeakPolarHBondContact CB-OE1 3.43Å; T472-E503 HydrophobicContact CG2-CG 4.29Å; T472-E503 PolarHBondContact OG1-OE1 3.19Å; T472-E503 PolarHBondContact OG1-OE2 3.24Å; T472-A511 WeakPolarHBondContact O-CB 3.25Å |
| 473 | G | 79.5 | Confident | 82.3 | Confident | 34 Ų | 34 | 37 Ų | 37 | 35% | 0.351 | 21% | 0.213 | S | C | . | . | trans | 73.3 | 7.6 | -170.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | N469 | N469-G473 WeakPolarHBondContact O-CA 3.22Å; N469-G473 PolarHBondContact O-N 2.78Å | ||
| 474 | T | 74.8 | Confident | 82.5 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 23% | 0.23 | C | C | . | . | trans | -76.4 | 132 | -177.2 | -61.2 | 0 | 0 | 0 | 0 | 111.8 | A372 R375 E468 N469 T472 F476 E503 | A372-T474 HydrophobicContact CB-CG2 3.61Å; R375-T474 WeakPolarHBondContact CD-OG1 3.34Å; E468-T474 CarbonylContact C-O 3.45Å; E468-T474 VanDerWaalsContact CA-O 3.28Å; E468-T474 WeakPolarHBondContact CA-O 3.3Å; N469-T474 PolarHBondContact N-O 2.93Å; T472-T474 PolarHBondContact O-N 3Å; T472-T474 WeakPolarHBondContact OG1-CB 3.26Å; T472-T474 PolarHBondContact OG1-N 3.17Å; T472-T474 PolarHBondContact OG1-OG1 3.23Å; T474-F476 HydrophobicContact CG2-CD2 4.17Å; T474-F476 HydrophobicContact CG2-CE1 3.98Å; T474-F476 HydrophobicContact CG2-CE2 3.53Å; T474-F476 HydrophobicContact CG2-CZ 3.42Å; T474-F476 VanDerWaalsContact CG2-CZ 3.42Å; T474-E503 WeakPolarHBondContact CB-OE1 3.41Å; T474-E503 PolarHBondContact OG1-OE1 2.96Å | ||
| 475 | I | 76.9 | Confident | 82.9 | Confident | 57 Ų | 57 | 41.6 Ų | 41.6 | 29% | 0.292 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 114.5 | -179.6 | -57.5 | 172.7 | 0 | 0 | 0 | 111.6 | A372 L446 I467 E468 | A372-I475 WeakPolarHBondContact CB-O 3.34Å; L446-I475 HydrophobicContact CD1-CB 4.4Å; L446-I475 HydrophobicContact CD1-CD1 3.49Å; L446-I475 VanDerWaalsContact CD1-CD1 3.49Å; L446-I475 HydrophobicContact CD1-CG1 3.63Å; L446-I475 HydrophobicContact CD1-CG2 3.9Å; I467-I475 CarbonylContact O-C 3.39Å; I467-I475 WeakPolarHBondContact O-CA 3.49Å; E468-I475 HydrophobicContact CB-CG1 4.35Å; E468-I475 HydrophobicContact CG-CG1 4.39Å |
| 476 | F | 78.3 | Confident | 83.3 | Confident | 4 Ų | 4 | 43.4 Ų | 43.4 | 2% | 0.018 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 132.4 | 176 | -61.4 | -80.8 | 0 | 0 | 0 | 111.6 | A372 S466 I467 N469 T474 F499 V500 E503 I508 | A372-F476 HydrophobicContact CB-CD1 3.39Å; A372-F476 HydrophobicContact CB-CE1 3.56Å; A372-F476 HydrophobicContact CB-CG 4.03Å; A372-F476 HydrophobicContact CB-CZ 4.31Å; S466-F476 CarbonylContact C-O 3.53Å; S466-F476 WeakPolarHBondContact CA-O 3.21Å; I467-F476 HydrophobicContact CG1-CB 4.19Å; I467-F476 PolarHBondContact N-O 2.99Å; I467-F476 PolarHBondContact O-N 2.8Å; N469-F476 HydrophobicContact CB-CE2 4.25Å; T474-F476 HydrophobicContact CG2-CD2 4.17Å; T474-F476 HydrophobicContact CG2-CE1 3.98Å; T474-F476 HydrophobicContact CG2-CE2 3.53Å; T474-F476 HydrophobicContact CG2-CZ 3.42Å; T474-F476 VanDerWaalsContact CG2-CZ 3.42Å; F476-F499 HydrophobicContact CB-CB 4.29Å; F476-F499 HydrophobicContact CB-CD2 4.36Å; F476-F499 HydrophobicContact CD1-CB 3.31Å; F476-F499 HydrophobicContact CD1-CD2 4.31Å; F476-F499 HydrophobicContact CD1-CG 4.09Å; F476-F499 HydrophobicContact CE1-CB 3.67Å; F476-F499 HydrophobicContact CG-CB 3.8Å; F476-F499 HydrophobicContact CZ-CB 4.41Å; F476-V500 HydrophobicContact CD2-CG2 3.43Å; F476-V500 VanDerWaalsContact CD2-CG2 3.43Å; F476-V500 HydrophobicContact CE2-CB 4.39Å; F476-V500 HydrophobicContact CE2-CG2 3.68Å; F476-V500 HydrophobicContact CG-CG2 4.32Å; F476-E503 WeakPolarHBondContact CE2-OE2 3.44Å; F476-E503 HydrophobicContact CZ-CB 3.99Å; F476-E503 HydrophobicContact CZ-CG 4.42Å; F476-E503 WeakPolarHBondContact CZ-OE2 3.36Å; F476-I508 HydrophobicContact CE1-CD1 4.29Å; F476-I508 HydrophobicContact CZ-CG2 4.49Å |
| 477 | N | 77.8 | Confident | 83.8 | Confident | 42 Ų | 42 | 44.9 Ų | 44.9 | 23% | 0.225 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 136.4 | 172.6 | -64.7 | -24 | 0 | 0 | 0 | 110 | T370 V465 S466 | T370-N477 HydrophobicContact CG2-CB 3.94Å; T370-N477 WeakPolarHBondContact CG2-ND2 3.43Å; V465-N477 VanDerWaalsContact O-CA 3.3Å; V465-N477 WeakPolarHBondContact O-CA 3.41Å; S466-N477 WeakPolarHBondContact CA-OD1 3.24Å; S466-N477 WeakPolarHBondContact CB-OD1 3.44Å; S466-N477 PolarHBondContact OG-OD1 2.7Å |
| 478 | A | 78.2 | Confident | 83.9 | Confident | 14 Ų | 14 | 44.9 Ų | 44.9 | 12% | 0.116 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 160.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111 | S464 V465 A492 N495 A496 F499 | S464-A478 WeakPolarHBondContact CA-O 3.36Å; V465-A478 HydrophobicContact CG2-CB 4.41Å; V465-A478 PolarHBondContact N-O 2.76Å; V465-A478 PolarHBondContact O-N 3.35Å; A478-A492 VanDerWaalsContact CB-O 3.28Å; A478-A492 WeakPolarHBondContact CB-O 3.11Å; A478-N495 HydrophobicContact CB-CB 3.78Å; A478-A496 HydrophobicContact CB-CB 3.81Å; A478-F499 HydrophobicContact CB-CE2 4.3Å |
| 479 | S | 78.3 | Confident | 84.2 | Confident | 62 Ų | 62 | 43.6 Ų | 43.6 | 43% | 0.434 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 153.9 | 175.9 | 61.7 | 0 | 0 | 0 | 0 | 111.4 | V463 N495 | V463-S479 CarbonylContact O-C 3.49Å; V463-S479 WeakPolarHBondContact O-CA 3.24Å; V463-S479 WeakPolarHBondContact O-CB 3.34Å; S479-N495 PolarHBondContact O-ND2 2.89Å |
| 480 | G | 79.7 | Confident | 84.5 | Confident | 3 Ų | 3 | 43.6 Ų | 43.6 | 3% | 0.031 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 148.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110 | R462 V463 A488 | R462-G480 WeakPolarHBondContact CA-O 3.21Å; V463-G480 PolarHBondContact N-O 3.02Å; V463-G480 PolarHBondContact O-N 2.82Å; G480-A488 WeakPolarHBondContact CA-O 3.48Å |
| 481 | I | 79.2 | Confident | 84.7 | Confident | 77 Ų | 77 | 41.8 Ų | 41.8 | 40% | 0.395 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 127.8 | 178.9 | -58.7 | 175.7 | 0 | 0 | 0 | 107.3 | Q460 A461 R462 | Q460-I481 HydrophobicContact CB-CG2 4.37Å; A461-I481 WeakPolarHBondContact O-CA 3.15Å; R462-I481 HydrophobicContact CB-CG1 4.2Å; R462-I481 HydrophobicContact CG-CG1 4.05Å |
| 482 | D | 86.5 | Confident | 84.9 | Confident | 47 Ų | 47 | 36.2 Ų | 36.2 | 25% | 0.251 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 168.7 | 174.9 | -161.9 | -82.6 | 0 | 0 | 0 | 109.2 | Q460 A461 D484 K487 A488 I491 | Q460-D482 WeakPolarHBondContact CA-O 3.48Å; A461-D482 PolarHBondContact N-O 3.01Å; A461-D482 PolarHBondContact O-N 3.27Å; A461-D482 VanDerWaalsContact O-N 3.16Å; D482-D484 VanDerWaalsContact C-N 3.28Å; D482-D484 PolarHBondContact OD1-N 3.16Å; D482-K487 HydrophobicContact CB-CB 3.91Å; D482-A488 HydrophobicContact CB-CB 3.97Å; D482-I491 HydrophobicContact CB-CD1 4.26Å |
| 483 | F | 84.3 | Confident | 85.6 | Confident | 138 Ų | 138 | 35.4 Ų | 35.4 | 61% | 0.605 | 20% | 0.196 | S | C | * | . | S | Bend | trans | -73.8 | -25.3 | 168.9 | -71.7 | -83.4 | 0 | 0 | 0 | 111.7 | D458 Q460 | D458-F483 WeakPolarHBondContact O-CD1 3.39Å; D458-F483 WeakPolarHBondContact O-CE1 3.32Å; Q460-F483 HydrophobicContact CG-CD1 3.67Å; Q460-F483 HydrophobicContact CG-CD2 4.36Å; Q460-F483 HydrophobicContact CG-CE1 3.55Å; Q460-F483 HydrophobicContact CG-CE2 4.25Å; Q460-F483 HydrophobicContact CG-CG 4.1Å; Q460-F483 HydrophobicContact CG-CZ 3.87Å |
| 484 | D | 90.4 | Very high | 86.2 | Confident | 68 Ų | 68 | 33.8 Ų | 33.8 | 36% | 0.364 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -97.3 | 122.4 | 174.1 | -174.2 | -55.8 | 0 | 0 | 0 | 110.7 | D482 L486 K487 A488 | D482-D484 VanDerWaalsContact C-N 3.28Å; D482-D484 PolarHBondContact OD1-N 3.16Å; D484-L486 PolarHBondContact O-N 3.4Å; D484-L486 WeakPolarHBondContact OD1-CA 3.47Å; D484-L486 VanDerWaalsContact OD1-CB 3.27Å; D484-L486 WeakPolarHBondContact OD1-CB 3.33Å; D484-L486 PolarHBondContact OD1-N 3.48Å; D484-K487 HydrophobicContact CB-CB 4.04Å; D484-K487 HydrophobicContact CB-CD 4.12Å; D484-K487 HydrophobicContact CB-CG 3.86Å; D484-K487 PolarHBondContact O-N 2.75Å; D484-K487 PolarHBondContact OD1-N 3.35Å; D484-A488 PolarHBondContact O-N 2.93Å |
| 485 | V | 91.2 | Very high | 86.8 | Confident | 63 Ų | 63 | 36.7 Ų | 36.7 | 38% | 0.382 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -57 | -33.5 | -179.6 | -64.5 | 0 | 0 | 0 | 0 | 113.4 | M450 A461 G489 | M450-V485 HydrophobicContact SD-CB 3.64Å; M450-V485 HydrophobicContact SD-CG1 3.5Å; M450-V485 VanDerWaalsContact SD-CG1 3.5Å; A461-V485 HydrophobicContact CB-CB 4.17Å; A461-V485 HydrophobicContact CB-CG1 3.49Å; A461-V485 VanDerWaalsContact CB-CG1 3.49Å; V485-G489 PolarHBondContact O-N 3.21Å |
| 486 | L | 94.7 | Very high | 87.3 | Confident | 39 Ų | 39 | 34 Ų | 34 | 20% | 0.204 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -78.8 | -36.8 | -179.1 | -58.5 | 174.5 | 0 | 0 | 0 | 110.9 | L394 L396 V428 I431 D484 G489 A490 | L394-L486 HydrophobicContact CD2-CB 3.94Å; L396-L486 HydrophobicContact CD1-CB 4.39Å; L396-L486 HydrophobicContact CD1-CD1 3.34Å; L396-L486 HydrophobicContact CD1-CG 4.43Å; V428-L486 HydrophobicContact CG2-CD2 4.19Å; I431-L486 HydrophobicContact CD1-CB 3.94Å; I431-L486 HydrophobicContact CD1-CD2 4.4Å; D484-L486 PolarHBondContact O-N 3.4Å; D484-L486 WeakPolarHBondContact OD1-CA 3.47Å; D484-L486 VanDerWaalsContact OD1-CB 3.27Å; D484-L486 WeakPolarHBondContact OD1-CB 3.33Å; D484-L486 PolarHBondContact OD1-N 3.48Å; L486-G489 PolarHBondContact O-N 2.87Å; L486-A490 WeakPolarHBondContact O-CB 3.43Å; L486-A490 PolarHBondContact O-N 2.6Å |
| 487 | K | 94.3 | Very high | 87.9 | Confident | 52 Ų | 52 | 33.8 Ų | 33.8 | 23% | 0.226 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -65.4 | -44.6 | 170.9 | -64.9 | -167.7 | -174.2 | -159.1 | 0 | 111.4 | F391 D393 L394 D482 D484 G489 A490 I491 | F391-K487 HydrophobicContact CE1-CB 4.26Å; F391-K487 HydrophobicContact CE1-CD 4.5Å; F391-K487 HydrophobicContact CE1-CG 4.42Å; F391-K487 HydrophobicContact CZ-CB 4.25Å; F391-K487 HydrophobicContact CZ-CG 4.15Å; D393-K487 WeakPolarHBondContact OD1-CE 3.19Å; D393-K487 IonicContact OD1-NZ 3.89Å; D393-K487 PolarHBondContact OD1-NZ 2.62Å; L394-K487 HydrophobicContact CB-CG 4.25Å; L394-K487 HydrophobicContact CD2-CG 4.36Å; D482-K487 HydrophobicContact CB-CB 3.91Å; D484-K487 HydrophobicContact CB-CB 4.04Å; D484-K487 HydrophobicContact CB-CD 4.12Å; D484-K487 HydrophobicContact CB-CG 3.86Å; D484-K487 PolarHBondContact O-N 2.75Å; D484-K487 PolarHBondContact OD1-N 3.35Å; K487-G489 VanDerWaalsContact C-N 3.26Å; K487-G489 PolarHBondContact O-N 3.46Å; K487-A490 WeakPolarHBondContact O-CB 3.29Å; K487-A490 PolarHBondContact O-N 3.07Å; K487-A490 VanDerWaalsContact O-N 3.11Å; K487-I491 VanDerWaalsContact O-CG1 3.28Å; K487-I491 WeakPolarHBondContact O-CG1 3.32Å; K487-I491 PolarHBondContact O-N 3.45Å |
| 488 | A | 89.8 | Confident | 88.4 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -56.2 | -43.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | A461 V463 G480 D482 D484 I491 A492 | A461-A488 HydrophobicContact CB-CB 4.37Å; A461-A488 WeakPolarHBondContact O-CB 3.34Å; V463-A488 HydrophobicContact CB-CB 4.22Å; V463-A488 HydrophobicContact CG2-CB 3.77Å; G480-A488 WeakPolarHBondContact CA-O 3.48Å; D482-A488 HydrophobicContact CB-CB 3.97Å; D484-A488 PolarHBondContact O-N 2.93Å; A488-I491 PolarHBondContact O-N 2.86Å; A488-A492 WeakPolarHBondContact O-CB 3.33Å; A488-A492 PolarHBondContact O-N 2.98Å |
| 489 | G | 93.6 | Very high | 88.6 | Confident | 3 Ų | 3 | 33.8 Ų | 33.8 | 3% | 0.031 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -65.5 | -38.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y432 V485 L486 K487 Y493 | Y432-G489 PolarHBondContact OH-O 3.46Å; V485-G489 PolarHBondContact O-N 3.21Å; L486-G489 PolarHBondContact O-N 2.87Å; K487-G489 VanDerWaalsContact C-N 3.26Å; K487-G489 PolarHBondContact O-N 3.46Å; G489-Y493 WeakPolarHBondContact O-CB 3.36Å; G489-Y493 PolarHBondContact O-N 2.63Å; G489-Y493 VanDerWaalsContact O-N 3.08Å |
| 490 | A | 95.2 | Very high | 89 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -64.4 | -47.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | F391 I431 L486 K487 A492 Y493 V494 | F391-A490 HydrophobicContact CD2-CB 3.72Å; F391-A490 HydrophobicContact CE2-CB 3.45Å; F391-A490 VanDerWaalsContact CE2-CB 3.45Å; F391-A490 HydrophobicContact CZ-CB 4.1Å; I431-A490 HydrophobicContact CG2-CB 3.63Å; L486-A490 WeakPolarHBondContact O-CB 3.43Å; L486-A490 PolarHBondContact O-N 2.6Å; K487-A490 WeakPolarHBondContact O-CB 3.29Å; K487-A490 PolarHBondContact O-N 3.07Å; K487-A490 VanDerWaalsContact O-N 3.11Å; A490-A492 VanDerWaalsContact C-N 3.35Å; A490-A492 PolarHBondContact O-N 3.16Å; A490-Y493 PolarHBondContact O-N 2.96Å; A490-V494 WeakPolarHBondContact O-CB 3.32Å; A490-V494 WeakPolarHBondContact O-CG2 3.39Å; A490-V494 PolarHBondContact O-N 3.27Å |
| 491 | I | 91.5 | Very high | 89.3 | Confident | 35 Ų | 35 | 34.9 Ų | 34.9 | 18% | 0.179 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -57.1 | -49.1 | 176 | -66.5 | 163 | 0 | 0 | 0 | 110.2 | F391 D482 K487 A488 Y493 V494 N495 | F391-I491 HydrophobicContact CB-CG1 4Å; F391-I491 HydrophobicContact CD1-CD1 4.08Å; F391-I491 HydrophobicContact CD1-CG1 3.43Å; F391-I491 VanDerWaalsContact CD1-CG1 3.43Å; F391-I491 HydrophobicContact CE1-CD1 4.42Å; F391-I491 HydrophobicContact CE1-CG1 4.07Å; F391-I491 HydrophobicContact CG-CG1 3.8Å; D482-I491 HydrophobicContact CB-CD1 4.26Å; K487-I491 VanDerWaalsContact O-CG1 3.28Å; K487-I491 WeakPolarHBondContact O-CG1 3.32Å; K487-I491 PolarHBondContact O-N 3.45Å; A488-I491 PolarHBondContact O-N 2.86Å; I491-Y493 VanDerWaalsContact C-N 3.31Å; I491-Y493 PolarHBondContact O-N 3.38Å; I491-V494 PolarHBondContact O-N 3.21Å; I491-N495 WeakPolarHBondContact O-CB 3.43Å; I491-N495 PolarHBondContact O-N 2.72Å; I491-N495 PolarHBondContact O-ND2 3.3Å |
| 492 | A | 89.1 | Confident | 89.4 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -57.3 | -46.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | V463 V465 A478 A488 A490 N495 A496 | V463-A492 HydrophobicContact CB-CB 4.49Å; V463-A492 HydrophobicContact CG1-CB 4.3Å; V465-A492 HydrophobicContact CG1-CB 4.04Å; V465-A492 HydrophobicContact CG2-CB 3.95Å; A478-A492 VanDerWaalsContact CB-O 3.28Å; A478-A492 WeakPolarHBondContact CB-O 3.11Å; A488-A492 WeakPolarHBondContact O-CB 3.33Å; A488-A492 PolarHBondContact O-N 2.98Å; A490-A492 VanDerWaalsContact C-N 3.35Å; A490-A492 PolarHBondContact O-N 3.16Å; A492-N495 PolarHBondContact O-N 3.48Å; A492-A496 PolarHBondContact O-N 2.7Å |
| 493 | Y | 94.3 | Very high | 89.1 | Confident | 5 Ų | 5 | 29.8 Ų | 29.8 | 2% | 0.02 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -75.5 | -35 | -175.1 | -162.2 | -107.8 | 0 | 0 | 0 | 113.6 | Y432 V435 D436 V443 L445 I467 G489 A490 I491 A496 N497 | Y432-Y493 AromaticContact CD1-CD1 3.48Å; Y432-Y493 HydrophobicContact CD1-CD1 3.48Å; Y432-Y493 VanDerWaalsContact CD1-CD1 3.48Å; Y432-Y493 HydrophobicContact CD1-CD2 4.15Å; Y432-Y493 HydrophobicContact CD1-CE1 4.01Å; Y432-Y493 AromaticContact CD1-CG 3.57Å; Y432-Y493 HydrophobicContact CD1-CG 3.57Å; Y432-Y493 HydrophobicContact CD2-CD1 4.03Å; Y432-Y493 AromaticContact CD2-CD2 3.61Å; Y432-Y493 HydrophobicContact CD2-CD2 3.61Å; Y432-Y493 AromaticContact CD2-CE1 3.92Å; Y432-Y493 HydrophobicContact CD2-CE1 3.92Å; Y432-Y493 AromaticContact CD2-CE2 3.46Å; Y432-Y493 HydrophobicContact CD2-CE2 3.46Å; Y432-Y493 VanDerWaalsContact CD2-CE2 3.46Å; Y432-Y493 AromaticContact CD2-CG 3.89Å; Y432-Y493 HydrophobicContact CD2-CG 3.89Å; Y432-Y493 AromaticContact CD2-CZ 3.65Å; Y432-Y493 AromaticContact CE1-CD1 3.92Å; Y432-Y493 HydrophobicContact CE1-CD1 3.92Å; Y432-Y493 AromaticContact CE1-CD2 3.95Å; Y432-Y493 HydrophobicContact CE1-CD2 3.95Å; Y432-Y493 AromaticContact CE1-CG 3.49Å; Y432-Y493 HydrophobicContact CE1-CG 3.49Å; Y432-Y493 VanDerWaalsContact CE1-CG 3.49Å; Y432-Y493 HydrophobicContact CE2-CD1 4.41Å; Y432-Y493 AromaticContact CE2-CD2 3.37Å; Y432-Y493 HydrophobicContact CE2-CD2 3.37Å; Y432-Y493 AromaticContact CE2-CE2 3.63Å; Y432-Y493 HydrophobicContact CE2-CE2 3.63Å; Y432-Y493 AromaticContact CE2-CG 3.81Å; Y432-Y493 HydrophobicContact CE2-CG 3.81Å; Y432-Y493 AromaticContact CG-CD1 3.54Å; Y432-Y493 HydrophobicContact CG-CD1 3.54Å; Y432-Y493 HydrophobicContact CG-CD2 4Å; Y432-Y493 AromaticContact CG-CE1 3.56Å; Y432-Y493 HydrophobicContact CG-CE1 3.56Å; Y432-Y493 HydrophobicContact CG-CE2 4Å; Y432-Y493 AromaticContact CG-CG 3.78Å; Y432-Y493 HydrophobicContact CG-CG 3.78Å; Y432-Y493 AromaticContact CG-CZ 3.81Å; Y432-Y493 AromaticContact CZ-CD2 3.56Å; Y432-Y493 AromaticContact CZ-CG 3.61Å; V435-Y493 HydrophobicContact CB-CD1 3.83Å; V435-Y493 HydrophobicContact CB-CE1 4.16Å; V435-Y493 HydrophobicContact CG1-CD1 3.66Å; V435-Y493 HydrophobicContact CG1-CE1 4.08Å; V435-Y493 HydrophobicContact CG2-CD1 4.34Å; D436-Y493 WeakPolarHBondContact OD1-CE1 3.43Å; D436-Y493 PolarHBondContact OD1-OH 2.87Å; D436-Y493 PolarHBondContact OD2-OH 3.41Å; V443-Y493 VanDerWaalsContact CG2-OH 3.32Å; V443-Y493 WeakPolarHBondContact CG2-OH 3.49Å; L445-Y493 HydrophobicContact CD1-CD2 4.37Å; L445-Y493 HydrophobicContact CD1-CE2 4.16Å; I467-Y493 HydrophobicContact CG2-CD2 3.85Å; I467-Y493 HydrophobicContact CG2-CE2 3.53Å; G489-Y493 WeakPolarHBondContact O-CB 3.36Å; G489-Y493 PolarHBondContact O-N 2.63Å; G489-Y493 VanDerWaalsContact O-N 3.08Å; A490-Y493 PolarHBondContact O-N 2.96Å; I491-Y493 VanDerWaalsContact C-N 3.31Å; I491-Y493 PolarHBondContact O-N 3.38Å; Y493-A496 PolarHBondContact O-N 3.24Å; Y493-N497 WeakPolarHBondContact CD1-ND2 3.36Å; Y493-N497 WeakPolarHBondContact CE1-ND2 3.41Å; Y493-N497 WeakPolarHBondContact O-CB 3.23Å; Y493-N497 PolarHBondContact O-N 2.61Å; Y493-N497 PolarHBondContact O-ND2 3.39Å |
| 494 | V | 93 | Very high | 89 | Confident | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.006 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -60.6 | -47.5 | 169.8 | 163.9 | 0 | 0 | 0 | 0 | 110.5 | F391 M410 V435 F439 A490 I491 A496 N497 A498 | F391-V494 HydrophobicContact CB-CG2 4.36Å; M410-V494 HydrophobicContact CE-CG1 3.71Å; M410-V494 HydrophobicContact CE-CG2 4.1Å; M410-V494 HydrophobicContact SD-CG2 3.96Å; V435-V494 HydrophobicContact CG1-CG2 3.97Å; V435-V494 HydrophobicContact CG2-CG2 3.75Å; F439-V494 HydrophobicContact CE2-CG1 4.33Å; F439-V494 HydrophobicContact CZ-CG1 4.27Å; A490-V494 WeakPolarHBondContact O-CB 3.32Å; A490-V494 WeakPolarHBondContact O-CG2 3.39Å; A490-V494 PolarHBondContact O-N 3.27Å; I491-V494 PolarHBondContact O-N 3.21Å; V494-A496 VanDerWaalsContact C-N 3.32Å; V494-A496 PolarHBondContact O-N 3.45Å; V494-N497 PolarHBondContact O-N 3.36Å; V494-A498 WeakPolarHBondContact O-CB 3.48Å; V494-A498 PolarHBondContact O-N 2.89Å |
| 495 | N | 86.7 | Confident | 88.6 | Confident | 61 Ų | 61 | 25.9 Ų | 25.9 | 33% | 0.326 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -60.7 | -42.7 | 178.5 | -71.6 | -18.6 | 0 | 0 | 0 | 111.5 | A478 S479 I491 A492 A498 F499 | A478-N495 HydrophobicContact CB-CB 3.78Å; S479-N495 PolarHBondContact O-ND2 2.89Å; I491-N495 WeakPolarHBondContact O-CB 3.43Å; I491-N495 PolarHBondContact O-N 2.72Å; I491-N495 PolarHBondContact O-ND2 3.3Å; A492-N495 PolarHBondContact O-N 3.48Å; N495-A498 PolarHBondContact O-N 3.35Å; N495-F499 VanDerWaalsContact O-CD2 3.28Å; N495-F499 WeakPolarHBondContact O-CD2 3.48Å; N495-F499 PolarHBondContact O-N 2.95Å |
| 496 | A | 86.6 | Confident | 87.6 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63.4 | -46.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | V465 I467 A478 A492 Y493 V494 A498 F499 V500 | V465-A496 HydrophobicContact CG2-CB 3.92Å; I467-A496 VanDerWaalsContact CD1-C 3.44Å; I467-A496 HydrophobicContact CD1-CB 3.46Å; I467-A496 VanDerWaalsContact CD1-CB 3.46Å; I467-A496 HydrophobicContact CG1-CB 3.78Å; I467-A496 HydrophobicContact CG2-CB 4.17Å; A478-A496 HydrophobicContact CB-CB 3.81Å; A492-A496 PolarHBondContact O-N 2.7Å; Y493-A496 PolarHBondContact O-N 3.24Å; V494-A496 VanDerWaalsContact C-N 3.32Å; V494-A496 PolarHBondContact O-N 3.45Å; A496-A498 VanDerWaalsContact C-N 3.33Å; A496-A498 PolarHBondContact O-N 2.89Å; A496-F499 WeakPolarHBondContact O-CB 3.44Å; A496-F499 PolarHBondContact O-N 3.08Å; A496-F499 VanDerWaalsContact O-N 3.15Å; A496-V500 PolarHBondContact O-N 3.3Å |
| 497 | N | 91.4 | Very high | 86.2 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64.5 | -34.6 | 177.5 | -90.9 | -84.5 | 0 | 0 | 0 | 112.8 | V435 F439 Q441 Y493 V494 F499 V500 Q501 | V435-N497 HydrophobicContact CG1-CB 4.27Å; F439-N497 HydrophobicContact CB-CB 4.49Å; F439-N497 HydrophobicContact CD1-CB 4.27Å; F439-N497 HydrophobicContact CD2-CB 3.4Å; F439-N497 HydrophobicContact CE1-CB 4.36Å; F439-N497 HydrophobicContact CE2-CB 3.51Å; F439-N497 HydrophobicContact CG-CB 3.81Å; F439-N497 HydrophobicContact CZ-CB 4.01Å; Q441-N497 VanDerWaalsContact NE2-CB 3.33Å; Q441-N497 PolarHBondContact NE2-O 2.9Å; Q441-N497 PolarHBondContact NE2-OD1 2.91Å; Y493-N497 WeakPolarHBondContact CD1-ND2 3.36Å; Y493-N497 WeakPolarHBondContact CE1-ND2 3.41Å; Y493-N497 WeakPolarHBondContact O-CB 3.23Å; Y493-N497 PolarHBondContact O-N 2.61Å; Y493-N497 PolarHBondContact O-ND2 3.39Å; V494-N497 PolarHBondContact O-N 3.36Å; N497-F499 PolarHBondContact O-N 3.38Å; N497-V500 WeakPolarHBondContact O-CB 3.34Å; N497-V500 PolarHBondContact O-N 3.37Å; N497-V500 VanDerWaalsContact O-N 3.1Å; N497-Q501 PolarHBondContact O-N 3.4Å |
| 498 | A | 87.9 | Confident | 84.5 | Confident | 7 Ų | 7 | 25.9 Ų | 25.9 | 6% | 0.058 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.5 | -34.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | F439 V494 N495 A496 Q501 K502 | F439-A498 HydrophobicContact CE1-CB 4.19Å; F439-A498 HydrophobicContact CZ-CB 4.18Å; V494-A498 WeakPolarHBondContact O-CB 3.48Å; V494-A498 PolarHBondContact O-N 2.89Å; N495-A498 PolarHBondContact O-N 3.35Å; A496-A498 VanDerWaalsContact C-N 3.33Å; A496-A498 PolarHBondContact O-N 2.89Å; A498-Q501 PolarHBondContact O-N 3.36Å; A498-K502 WeakPolarHBondContact O-CG 3.17Å; A498-K502 PolarHBondContact O-N 2.93Å; A498-K502 VanDerWaalsContact O-N 3.16Å |
| 499 | F | 82.9 | Confident | 82.5 | Confident | 48 Ų | 48 | 26.8 Ų | 26.8 | 21% | 0.211 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -68.1 | -40.5 | 172.7 | -59.1 | -45 | 0 | 0 | 0 | 112.5 | I383 F476 A478 N495 A496 N497 Q501 K502 E503 I508 | I383-F499 HydrophobicContact CG2-CD1 3.48Å; I383-F499 VanDerWaalsContact CG2-CD1 3.48Å; I383-F499 HydrophobicContact CG2-CE1 3.04Å; I383-F499 HydrophobicContact CG2-CZ 3.94Å; F476-F499 HydrophobicContact CB-CB 4.29Å; F476-F499 HydrophobicContact CB-CD2 4.36Å; F476-F499 HydrophobicContact CD1-CB 3.31Å; F476-F499 HydrophobicContact CD1-CD2 4.31Å; F476-F499 HydrophobicContact CD1-CG 4.09Å; F476-F499 HydrophobicContact CE1-CB 3.67Å; F476-F499 HydrophobicContact CG-CB 3.8Å; F476-F499 HydrophobicContact CZ-CB 4.41Å; A478-F499 HydrophobicContact CB-CE2 4.3Å; N495-F499 VanDerWaalsContact O-CD2 3.28Å; N495-F499 WeakPolarHBondContact O-CD2 3.48Å; N495-F499 PolarHBondContact O-N 2.95Å; A496-F499 WeakPolarHBondContact O-CB 3.44Å; A496-F499 PolarHBondContact O-N 3.08Å; A496-F499 VanDerWaalsContact O-N 3.15Å; N497-F499 PolarHBondContact O-N 3.38Å; F499-Q501 VanDerWaalsContact C-N 3.32Å; F499-Q501 PolarHBondContact O-N 2.87Å; F499-K502 PolarHBondContact O-N 3.35Å; F499-E503 PolarHBondContact O-N 3.12Å; F499-I508 WeakPolarHBondContact O-CD1 3.28Å |
| 500 | V | 86.1 | Confident | 80.2 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.4 | -41.4 | 175.2 | 179.2 | 0 | 0 | 0 | 0 | 111.1 | Q441 V443 I467 N469 F476 A496 N497 K502 E503 N504 | Q441-V500 HydrophobicContact CG-CG1 4.19Å; Q441-V500 VanDerWaalsContact OE1-CG1 3.25Å; V443-V500 HydrophobicContact CG1-CB 4.19Å; V443-V500 HydrophobicContact CG1-CG1 3.78Å; V443-V500 HydrophobicContact CG1-CG2 3.82Å; I467-V500 HydrophobicContact CD1-CG2 3.69Å; I467-V500 HydrophobicContact CG1-CG2 4.17Å; N469-V500 HydrophobicContact CB-CG1 3.89Å; N469-V500 HydrophobicContact CB-CG2 4.28Å; F476-V500 HydrophobicContact CD2-CG2 3.43Å; F476-V500 VanDerWaalsContact CD2-CG2 3.43Å; F476-V500 HydrophobicContact CE2-CB 4.39Å; F476-V500 HydrophobicContact CE2-CG2 3.68Å; F476-V500 HydrophobicContact CG-CG2 4.32Å; A496-V500 PolarHBondContact O-N 3.3Å; N497-V500 WeakPolarHBondContact O-CB 3.34Å; N497-V500 PolarHBondContact O-N 3.37Å; N497-V500 VanDerWaalsContact O-N 3.1Å; V500-K502 VanDerWaalsContact C-N 3.32Å; V500-K502 PolarHBondContact O-N 3.23Å; V500-E503 WeakPolarHBondContact O-CB 3.4Å; V500-E503 PolarHBondContact O-N 3.39Å; V500-E503 VanDerWaalsContact O-N 3.11Å; V500-N504 PolarHBondContact O-N 3.01Å; V500-N504 PolarHBondContact O-ND2 2.64Å |
| 501 | Q | 86.7 | Confident | 77.7 | Confident | 89 Ų | 89 | 34.5 Ų | 34.5 | 42% | 0.416 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -61 | -43 | 177.8 | -174.9 | -178.9 | 42.1 | 0 | 0 | 111.2 | F439 Q441 N497 A498 F499 E503 N504 A505 | F439-Q501 HydrophobicContact CD1-CB 4.03Å; F439-Q501 HydrophobicContact CD1-CG 4.43Å; F439-Q501 HydrophobicContact CE1-CB 4.37Å; Q441-Q501 VanDerWaalsContact OE1-N 3.1Å; N497-Q501 PolarHBondContact O-N 3.4Å; A498-Q501 PolarHBondContact O-N 3.36Å; F499-Q501 VanDerWaalsContact C-N 3.32Å; F499-Q501 PolarHBondContact O-N 2.87Å; Q501-E503 VanDerWaalsContact C-N 3.32Å; Q501-E503 PolarHBondContact O-N 2.82Å; Q501-N504 PolarHBondContact O-N 2.96Å; Q501-A505 WeakPolarHBondContact O-CB 3.44Å; Q501-A505 PolarHBondContact O-N 3.34Å |
| 502 | K | 80.4 | Confident | 75.3 | Confident | 17 Ų | 17 | 35.8 Ų | 35.8 | 7% | 0.074 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.1 | -38.5 | 174.6 | -73.4 | -170.2 | 171.2 | -160.2 | 0 | 112.2 | E384 A498 F499 V500 A505 G506 E507 I508 | E384-K502 PolarHBondContact O-NZ 3.16Å; A498-K502 WeakPolarHBondContact O-CG 3.17Å; A498-K502 PolarHBondContact O-N 2.93Å; A498-K502 VanDerWaalsContact O-N 3.16Å; F499-K502 PolarHBondContact O-N 3.35Å; V500-K502 VanDerWaalsContact C-N 3.32Å; V500-K502 PolarHBondContact O-N 3.23Å; K502-A505 PolarHBondContact O-N 2.69Å; K502-G506 PolarHBondContact O-N 3.04Å; K502-E507 HydrophobicContact CB-CB 4.22Å; K502-E507 WeakPolarHBondContact CG-OE2 3.4Å; K502-E507 WeakPolarHBondContact O-CA 3.42Å; K502-E507 WeakPolarHBondContact O-CB 3.34Å; K502-E507 PolarHBondContact O-N 3.44Å; K502-I508 HydrophobicContact CB-CD1 3.59Å; K502-I508 HydrophobicContact CB-CG1 3.92Å; K502-I508 HydrophobicContact CD-CD1 4.48Å; K502-I508 PolarHBondContact O-N 2.82Å |
| 503 | E | 80.6 | Confident | 72.9 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.1 | -44.8 | 172.9 | -170.1 | -175 | -152.2 | 0 | 0 | 112.3 | N469 T472 T474 F476 F499 V500 Q501 A505 G506 I508 | N469-E503 WeakPolarHBondContact CB-OE2 3.3Å; N469-E503 PolarHBondContact ND2-OE2 3.17Å; T472-E503 WeakPolarHBondContact CB-OE1 3.43Å; T472-E503 HydrophobicContact CG2-CG 4.29Å; T472-E503 PolarHBondContact OG1-OE1 3.19Å; T472-E503 PolarHBondContact OG1-OE2 3.24Å; T474-E503 WeakPolarHBondContact CB-OE1 3.41Å; T474-E503 PolarHBondContact OG1-OE1 2.96Å; F476-E503 WeakPolarHBondContact CE2-OE2 3.44Å; F476-E503 HydrophobicContact CZ-CB 3.99Å; F476-E503 HydrophobicContact CZ-CG 4.42Å; F476-E503 WeakPolarHBondContact CZ-OE2 3.36Å; F499-E503 PolarHBondContact O-N 3.12Å; V500-E503 WeakPolarHBondContact O-CB 3.4Å; V500-E503 PolarHBondContact O-N 3.39Å; V500-E503 VanDerWaalsContact O-N 3.11Å; Q501-E503 VanDerWaalsContact C-N 3.32Å; Q501-E503 PolarHBondContact O-N 2.82Å; E503-A505 VanDerWaalsContact C-N 3.3Å; E503-A505 PolarHBondContact O-N 3.31Å; E503-G506 PolarHBondContact O-N 3.28Å; E503-I508 WeakPolarHBondContact CA-O 3.23Å; E503-I508 HydrophobicContact CB-CB 3.86Å; E503-I508 HydrophobicContact CB-CG2 4.05Å; E503-I508 HydrophobicContact CG-CB 4.3Å; E503-I508 HydrophobicContact CG-CG2 4.12Å |
| 504 | N | 82.5 | Confident | 70.1 | Confident | 55 Ų | 55 | 45.3 Ų | 45.3 | 29% | 0.294 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -65.8 | -33.9 | 178.9 | -70.8 | -21 | 0 | 0 | 0 | 112.4 | Q441 N469 V500 Q501 G506 | Q441-N504 PolarHBondContact OE1-ND2 3.45Å; N469-N504 PolarHBondContact ND2-OD1 3.3Å; V500-N504 PolarHBondContact O-N 3.01Å; V500-N504 PolarHBondContact O-ND2 2.64Å; Q501-N504 PolarHBondContact O-N 2.96Å; N504-G506 PolarHBondContact O-N 3.48Å |
| 505 | A | 81.2 | Confident | 67.5 | Low | 68 Ų | 68 | 54.7 Ų | 54.7 | 56% | 0.562 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -7.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q501 K502 E503 E507 | Q501-A505 WeakPolarHBondContact O-CB 3.44Å; Q501-A505 PolarHBondContact O-N 3.34Å; K502-A505 PolarHBondContact O-N 2.69Å; E503-A505 VanDerWaalsContact C-N 3.3Å; E503-A505 PolarHBondContact O-N 3.31Å; A505-E507 HydrophobicContact CB-CG 4.13Å; A505-E507 PolarHBondContact O-N 2.93Å |
| 506 | G | 71.3 | Confident | 65.7 | Low | 51 Ų | 51 | 57.4 Ų | 57.4 | 53% | 0.526 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.1 | 11.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | K502 E503 N504 | K502-G506 PolarHBondContact O-N 3.04Å; E503-G506 PolarHBondContact O-N 3.28Å; N504-G506 PolarHBondContact O-N 3.48Å |
| 507 | E | 65.9 | Low | 63.5 | Low | 104 Ų | 104 | 61.8 Ų | 61.8 | 49% | 0.486 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -70 | -44.1 | 168 | -60.1 | 178.5 | -165 | 0 | 0 | 107.9 | T381 K502 A505 | T381-E507 WeakPolarHBondContact CB-O 3.49Å; T381-E507 HydrophobicContact CG2-CB 3.58Å; T381-E507 WeakPolarHBondContact CG2-O 3.45Å; T381-E507 VanDerWaalsContact OG1-C 3.3Å; T381-E507 PolarHBondContact OG1-O 3.35Å; K502-E507 HydrophobicContact CB-CB 4.22Å; K502-E507 WeakPolarHBondContact CG-OE2 3.4Å; K502-E507 WeakPolarHBondContact O-CA 3.42Å; K502-E507 WeakPolarHBondContact O-CB 3.34Å; K502-E507 PolarHBondContact O-N 3.44Å; A505-E507 HydrophobicContact CB-CG 4.13Å; A505-E507 PolarHBondContact O-N 2.93Å |
| 508 | I | 57.1 | Low | 60.9 | Low | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 37% | 0.366 | C | S | . | . | S | Bend | trans | -98.6 | 140.3 | 170.7 | -58.7 | 168.3 | 0 | 0 | 0 | 109.3 | A376 T381 F476 F499 K502 E503 | A376-I508 HydrophobicContact CB-CB 4.5Å; A376-I508 HydrophobicContact CB-CG1 4.14Å; A376-I508 HydrophobicContact CB-CG2 3.79Å; T381-I508 HydrophobicContact CG2-CG1 3.94Å; T381-I508 VanDerWaalsContact OG1-CA 3.3Å; T381-I508 WeakPolarHBondContact OG1-CA 3.45Å; T381-I508 WeakPolarHBondContact OG1-CG1 3.44Å; F476-I508 HydrophobicContact CE1-CD1 4.29Å; F476-I508 HydrophobicContact CZ-CG2 4.49Å; F499-I508 WeakPolarHBondContact O-CD1 3.28Å; K502-I508 HydrophobicContact CB-CD1 3.59Å; K502-I508 HydrophobicContact CB-CG1 3.92Å; K502-I508 HydrophobicContact CD-CD1 4.48Å; K502-I508 PolarHBondContact O-N 2.82Å; E503-I508 WeakPolarHBondContact CA-O 3.23Å; E503-I508 HydrophobicContact CB-CB 3.86Å; E503-I508 HydrophobicContact CB-CG2 4.05Å; E503-I508 HydrophobicContact CG-CB 4.3Å; E503-I508 HydrophobicContact CG-CG2 4.12Å |
| 509 | G | 48.3 | Very low | 58.6 | Low | 19 Ų | 19 | 73.4 Ų | 73.4 | 20% | 0.196 | 41% | 0.406 | C | S | . | . | P | Polyproline II helix | trans | -78.5 | 131.3 | -163.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 510 | K | 44.9 | Very low | 56.4 | Low | 130 Ų | 130 | 82 Ų | 82 | 57% | 0.565 | 45% | 0.454 | S | S | * | . | P | Polyproline II helix | trans | -66.6 | 147 | 178.7 | -63.7 | -175.6 | 178.7 | -174.3 | 0 | 110.8 | V512 | K510-V512 PolarHBondContact O-N 3.46Š|
| 511 | A | 43.1 | Very low | 54.9 | Low | 34 Ų | 34 | 86.1 Ų | 86.1 | 28% | 0.281 | 48% | 0.477 | S | S | . | . | P | Polyproline II helix | trans | -58.5 | 127.7 | 164 | 0 | 0 | 0 | 0 | 0 | 109.6 | T472 S513 | T472-A511 WeakPolarHBondContact O-CB 3.25Å; A511-S513 PolarHBondContact O-N 3.29Å |
| 512 | V | 42.3 | Very low | 53.2 | Low | 63 Ų | 63 | 85.9 Ų | 85.9 | 38% | 0.382 | 48% | 0.48 | S | S | . | . | trans | -80.8 | 114.8 | 176.2 | -174.1 | 0 | 0 | 0 | 0 | 107.5 | K510 D516 | K510-V512 PolarHBondContact O-N 3.46Å; V512-D516 HydrophobicContact CG1-CB 4.47Å | ||
| 513 | S | 37.2 | Very low | 51.7 | Low | 49 Ų | 49 | 89.8 Ų | 89.8 | 34% | 0.343 | 50% | 0.503 | S | S | . | . | trans | -67.3 | 141.5 | 173.9 | 166.6 | 0 | 0 | 0 | 0 | 110.1 | A511 R515 D516 | A511-S513 PolarHBondContact O-N 3.29Å; S513-R515 PolarHBondContact O-N 2.8Å; S513-R515 PolarHBondContact OG-N 3.27Å; S513-D516 PolarHBondContact O-N 3.21Å | ||
| 514 | F | 36.4 | Very low | 50 | Low | 155 Ų | 155 | 95.1 Ų | 95.1 | 68% | 0.68 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | -16 | 173.5 | 76.4 | -88 | 0 | 0 | 0 | 114.2 | ||
| 515 | R | 38.5 | Very low | 48 | Very low | 198 Ų | 198 | 97.6 Ų | 97.6 | 75% | 0.747 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -16.9 | 177.2 | -66.6 | -175.2 | 171.1 | 168.1 | -1.3 | 114.3 | S513 | S513-R515 PolarHBondContact O-N 2.8Å; S513-R515 PolarHBondContact OG-N 3.27Å |
| 516 | D | 48.1 | Very low | 45.8 | Very low | 119 Ų | 119 | 99.5 Ų | 99.5 | 64% | 0.636 | 55% | 0.546 | S | S | * | . | S | Bend | trans | -99.8 | 4.9 | -174.8 | -61.5 | -39.4 | 0 | 0 | 0 | 112.9 | V512 S513 P518 | V512-D516 HydrophobicContact CG1-CB 4.47Å; S513-D516 PolarHBondContact O-N 3.21Å; D516-P518 WeakPolarHBondContact O-CD 3.38Å |
| 517 | V | 40.2 | Very low | 43.9 | Very low | 91 Ų | 91 | 103 Ų | 103 | 55% | 0.552 | 55% | 0.548 | S | S | * | . | S | Bend | trans | -82.6 | 120.3 | 174.4 | -170.1 | 0 | 0 | 0 | 0 | 109.3 | T519 | V517-T519 PolarHBondContact O-N 2.9Š|
| 518 | P | 37.6 | Very low | 42.3 | Very low | 105 Ų | 105 | 102.9 Ų | 102.9 | 68% | 0.682 | 55% | 0.553 | S | S | * | * | trans | -58.7 | 125.4 | 172 | -18.6 | 30.2 | 0 | 0 | 0 | 109.7 | D516 N520 | D516-P518 WeakPolarHBondContact O-CD 3.38Å; P518-N520 VanDerWaalsContact C-N 3.34Å; P518-N520 PolarHBondContact O-N 2.89Å | ||
| 519 | T | 39 | Very low | 41 | Very low | 147 Ų | 147 | 111.5 Ų | 111.5 | 90% | 0.902 | 60% | 0.599 | S | S | * | * | trans | -71.5 | 93 | 167.8 | 31.8 | 0 | 0 | 0 | 0 | 108.2 | V517 | V517-T519 PolarHBondContact O-N 2.9Š| ||
| 520 | N | 36.8 | Very low | 40.4 | Very low | 228 Ų | 228 | 119.9 Ų | 119.9 | 100% | 1.219 | 64% | 0.635 | S | S | * | * | trans | -111.9 | 0 | 163.2 | -90.5 | -9.1 | 0 | 0 | 0 | 110.2 | P518 | P518-N520 VanDerWaalsContact C-N 3.34Å; P518-N520 PolarHBondContact O-N 2.89Å |
Retrieved 520 of 520 residues in 389.2 ms
(Link to these results)