| 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 | 58.8 | Low | 89.5 | Confident | 191 Ų | 191 | 61.2 Ų | 61.2 | 94% | 0.941 | 32% | 0.321 | S | S | * | . | 0 | -44.2 | 0 | -91.2 | -155.5 | -79 | 0 | 0 | 113.3 | L3 N4 E200 | M1-L3 PolarHBondContact O-N 3.42Å; M1-L3 VanDerWaalsContact O-N 3.11Å; M1-N4 PolarHBondContact O-N 2.99Å; M1-E200 PolarHBondContact N-OE1 2.86Å; M1-E200 PolarHBondContact N-OE2 3.47Å | |||
| 2 | A | 73 | Confident | 90.2 | Very high | 60 Ų | 60 | 66 Ų | 66 | 50% | 0.496 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -27.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | K5 | A2-K5 WeakPolarHBondContact O-CE 3.3Š|
| 3 | L | 84.6 | Confident | 90.8 | Very high | 26 Ų | 26 | 61 Ų | 61 | 14% | 0.136 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | -6.2 | -179.4 | -51.9 | 178.4 | 0 | 0 | 0 | 113.9 | M1 K5 L192 A196 L400 | M1-L3 PolarHBondContact O-N 3.42Å; M1-L3 VanDerWaalsContact O-N 3.11Å; L3-K5 PolarHBondContact O-N 2.92Å; L3-K5 VanDerWaalsContact O-N 3.13Å; L3-L192 HydrophobicContact CB-CD2 4.42Å; L3-L192 HydrophobicContact CD2-CD2 3.85Å; L3-A196 HydrophobicContact CB-CB 4.23Å; L3-A196 HydrophobicContact CD1-CB 3.9Å; L3-L400 HydrophobicContact CD1-CD1 4.27Å; L3-L400 HydrophobicContact CD2-CD1 3.63Å |
| 4 | N | 88.2 | Confident | 91.3 | Very high | 104 Ų | 104 | 66.1 Ų | 66.1 | 56% | 0.556 | 34% | 0.339 | S | S | * | . | trans | -84.1 | 88.5 | 178.7 | -169.5 | 23 | 0 | 0 | 0 | 110.6 | M1 A415 | M1-N4 PolarHBondContact O-N 2.99Å; N4-A415 PolarHBondContact O-N 3.2Å; N4-A415 WeakPolarHBondContact OD1-CB 3.37Å | ||
| 5 | K | 94.7 | Very high | 91.8 | Very high | 36 Ų | 36 | 69.1 Ų | 69.1 | 16% | 0.157 | 36% | 0.356 | C | S | . | . | B | Isolated β-bridge | trans | -108.1 | 151.7 | -177.4 | -61.6 | -60 | -176 | 159.3 | 0 | 111.8 | A2 L3 A7 L192 V409 A410 L412 | A2-K5 WeakPolarHBondContact O-CE 3.3Å; L3-K5 PolarHBondContact O-N 2.92Å; L3-K5 VanDerWaalsContact O-N 3.13Å; K5-A7 PolarHBondContact O-N 2.95Å; K5-L192 HydrophobicContact CB-CD1 4.44Å; K5-L192 HydrophobicContact CG-CD1 4.28Å; K5-V409 HydrophobicContact CD-CG1 4.5Å; K5-V409 WeakPolarHBondContact CE-O 3.46Å; K5-V409 HydrophobicContact CG-CG1 3.82Å; K5-V409 PolarHBondContact NZ-O 3.38Å; K5-A410 PolarHBondContact NZ-O 3.08Å; K5-L412 HydrophobicContact CB-CB 4.16Å; K5-L412 HydrophobicContact CB-CD1 4.25Å; K5-L412 HydrophobicContact CD-CB 4.05Å; K5-L412 HydrophobicContact CG-CB 4.13Å; K5-L412 HydrophobicContact CG-CD1 4.42Å; K5-L412 PolarHBondContact NZ-O 3.11Å |
| 6 | L | 97.2 | Very high | 92.2 | Very high | 24 Ų | 24 | 70.2 Ų | 70.2 | 13% | 0.126 | 36% | 0.357 | C | S | . | . | trans | -54.1 | 126.7 | 173.1 | 179.4 | 65 | 0 | 0 | 0 | 108.5 | K10 V11 T181 A183 A184 S413 | L6-K10 HydrophobicContact CD1-CB 3.87Å; L6-V11 HydrophobicContact CD1-CG2 4.27Å; L6-V11 HydrophobicContact CD2-CG2 3.82Å; L6-V11 HydrophobicContact CG-CG2 3.94Å; L6-T181 HydrophobicContact CD2-CG2 3.82Å; L6-A183 HydrophobicContact CD2-CB 4.3Å; L6-A183 HydrophobicContact CG-CB 4.09Å; L6-A183 CarbonylContact O-C 3.39Å; L6-A183 WeakPolarHBondContact O-CA 3.2Å; L6-A183 WeakPolarHBondContact O-CB 3.25Å; L6-A184 PolarHBondContact O-N 2.82Å; L6-S413 WeakPolarHBondContact CB-O 3.32Å; L6-S413 PolarHBondContact N-O 3.19Å | ||
| 7 | A | 97.5 | Very high | 92.6 | Very high | 8 Ų | 8 | 68.2 Ų | 68.2 | 7% | 0.066 | 34% | 0.344 | C | S | . | . | B | Isolated β-bridge | trans | -102.4 | 153.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | K5 D9 K10 K189 | K5-A7 PolarHBondContact O-N 2.95Å; A7-D9 WeakPolarHBondContact CB-OD1 3.39Å; A7-D9 PolarHBondContact O-N 3.27Å; A7-D9 VanDerWaalsContact O-N 3.12Å; A7-K10 PolarHBondContact O-N 3.31Å; A7-K189 HydrophobicContact CB-CD 3.73Å; A7-K189 HydrophobicContact CB-CG 4.17Å |
| 8 | I | 98.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 33% | 0.325 | C | S | . | . | G | 310 helix | trans | -54.6 | -32.2 | -178.2 | -170.6 | 174.1 | 0 | 0 | 0 | 112.7 | K10 V11 L13 T45 Y48 A49 V160 A184 F186 | I8-K10 PolarHBondContact O-N 2.8Å; I8-V11 PolarHBondContact O-N 3.06Å; I8-V11 VanDerWaalsContact O-N 3.15Å; I8-L13 HydrophobicContact CD1-CD1 4.01Å; I8-L13 HydrophobicContact CG1-CD1 3.81Å; I8-L13 HydrophobicContact CG1-CD2 4.47Å; I8-T45 HydrophobicContact CD1-CG2 3.7Å; I8-Y48 HydrophobicContact CD1-CD1 4.18Å; I8-Y48 HydrophobicContact CG1-CD1 4.11Å; I8-Y48 HydrophobicContact CG1-CE1 4.22Å; I8-Y48 HydrophobicContact CG2-CD1 4.3Å; I8-A49 HydrophobicContact CD1-CB 4.16Å; I8-V160 HydrophobicContact CD1-CG1 4.23Å; I8-V160 HydrophobicContact CD1-CG2 4Å; I8-V160 HydrophobicContact CG1-CG2 4.21Å; I8-A184 PolarHBondContact N-O 3.41Å; I8-F186 HydrophobicContact CG2-CD1 4.16Å; I8-F186 HydrophobicContact CG2-CD2 4.38Å; I8-F186 HydrophobicContact CG2-CE1 3.94Å; I8-F186 HydrophobicContact CG2-CE2 4.19Å; I8-F186 HydrophobicContact CG2-CG 4.37Å; I8-F186 HydrophobicContact CG2-CZ 3.96Å |
| 9 | D | 97.1 | Very high | 93.3 | Very high | 45 Ų | 45 | 61.1 Ų | 61.1 | 24% | 0.241 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | -75.1 | 0.9 | 177.7 | 64.9 | -41.5 | 0 | 0 | 0 | 114.8 | A7 Y48 F186 K189 | A7-D9 WeakPolarHBondContact CB-OD1 3.39Å; A7-D9 PolarHBondContact O-N 3.27Å; A7-D9 VanDerWaalsContact O-N 3.12Å; D9-Y48 VanDerWaalsContact CA-OH 3.29Å; D9-Y48 WeakPolarHBondContact CA-OH 3.23Å; D9-Y48 HydrophobicContact CB-CE1 4.32Å; D9-Y48 HydrophobicContact CB-CE2 4.24Å; D9-F186 HydrophobicContact CB-CE1 3.89Å; D9-F186 HydrophobicContact CB-CZ 4.05Å; D9-K189 IonicContact OD1-NZ 2.84Å; D9-K189 PolarHBondContact OD1-NZ 3.23Å; D9-K189 IonicContact OD2-NZ 2.64Å; D9-K189 PolarHBondContact OD2-NZ 2.87Å |
| 10 | K | 97.5 | Very high | 93.5 | Very high | 159 Ų | 159 | 58 Ų | 58 | 69% | 0.691 | 29% | 0.293 | S | S | * | . | G | 310 helix | trans | -115 | 10.9 | 172.3 | -55.7 | -59.9 | 174.3 | -169.4 | 0 | 112.3 | L6 A7 I8 | L6-K10 HydrophobicContact CD1-CB 3.87Å; A7-K10 PolarHBondContact O-N 3.31Å; I8-K10 PolarHBondContact O-N 2.8Å |
| 11 | V | 97.7 | Very high | 93.8 | Very high | 20 Ų | 20 | 55.2 Ų | 55.2 | 12% | 0.121 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -109.4 | 137 | 178.6 | -179.9 | 0 | 0 | 0 | 0 | 110 | L6 I8 L13 V158 T181 A183 | L6-V11 HydrophobicContact CD1-CG2 4.27Å; L6-V11 HydrophobicContact CD2-CG2 3.82Å; L6-V11 HydrophobicContact CG-CG2 3.94Å; I8-V11 PolarHBondContact O-N 3.06Å; I8-V11 VanDerWaalsContact O-N 3.15Å; V11-L13 HydrophobicContact CB-CD2 4.14Å; V11-L13 HydrophobicContact CG1-CD2 3.71Å; V11-L13 HydrophobicContact CG1-CG 4.47Å; V11-L13 PolarHBondContact O-N 3.22Å; V11-V158 HydrophobicContact CG1-CG1 4.03Å; V11-V158 HydrophobicContact CG1-CG2 4.2Å; V11-T181 HydrophobicContact CB-CG2 4.39Å; V11-T181 HydrophobicContact CG1-CG2 3.68Å; V11-T181 HydrophobicContact CG2-CG2 3.74Å; V11-A183 HydrophobicContact CG2-CB 3.83Å |
| 12 | N | 97.6 | Very high | 95.7 | Very high | 119 Ų | 119 | 46.1 Ų | 46.1 | 64% | 0.636 | 23% | 0.234 | S | C | * | . | trans | -76.2 | 110.2 | 167.5 | -178.9 | 9.3 | 0 | 0 | 0 | 109.7 | K14 | N12-K14 VanDerWaalsContact OD1-CB 3.29Å; N12-K14 WeakPolarHBondContact OD1-CB 3.3Å; N12-K14 PolarHBondContact OD1-N 2.99Å | ||
| 13 | L | 98.4 | Very high | 96.8 | Very high | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | trans | -95.6 | -6.7 | -179.2 | -57.9 | 177.6 | 0 | 0 | 0 | 113.2 | I8 V11 D15 K16 V18 Y48 A49 N52 G53 A54 V158 | I8-L13 HydrophobicContact CD1-CD1 4.01Å; I8-L13 HydrophobicContact CG1-CD1 3.81Å; I8-L13 HydrophobicContact CG1-CD2 4.47Å; V11-L13 HydrophobicContact CB-CD2 4.14Å; V11-L13 HydrophobicContact CG1-CD2 3.71Å; V11-L13 HydrophobicContact CG1-CG 4.47Å; V11-L13 PolarHBondContact O-N 3.22Å; L13-D15 PolarHBondContact O-N 2.91Å; L13-K16 WeakPolarHBondContact O-CB 3.38Å; L13-K16 PolarHBondContact O-N 3.37Å; L13-V18 HydrophobicContact CD2-CG2 3.99Å; L13-Y48 HydrophobicContact CD1-CD1 4.18Å; L13-Y48 HydrophobicContact CD1-CE1 4.05Å; L13-A49 HydrophobicContact CD1-CB 3.99Å; L13-N52 HydrophobicContact CD1-CB 4.43Å; L13-G53 CarbonylContact O-C 3.54Å; L13-A54 HydrophobicContact CB-CB 4.41Å; L13-A54 VanDerWaalsContact O-CA 3.26Å; L13-A54 WeakPolarHBondContact O-CA 3.43Å; L13-A54 PolarHBondContact O-N 2.82Å; L13-V158 HydrophobicContact CD2-CG1 4.19Å | ||
| 14 | K | 98.2 | Very high | 97.4 | Very high | 133 Ų | 133 | 42.7 Ų | 42.7 | 58% | 0.578 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | 124.6 | -174.9 | -170.9 | -179.9 | 176.3 | 179.5 | 0 | 111.2 | N12 K16 G53 | N12-K14 VanDerWaalsContact OD1-CB 3.29Å; N12-K14 WeakPolarHBondContact OD1-CB 3.3Å; N12-K14 PolarHBondContact OD1-N 2.99Å; K14-K16 PolarHBondContact O-N 3.22Å; K14-K16 VanDerWaalsContact O-N 3.13Å; K14-G53 CarbonylContact C-O 3.52Å; K14-G53 WeakPolarHBondContact CA-O 3.48Å |
| 15 | D | 98.2 | Very high | 97.7 | Very high | 110 Ų | 110 | 40.5 Ų | 40.5 | 59% | 0.588 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.5 | 13.2 | -179.5 | -56.7 | -50.6 | 0 | 0 | 0 | 114.9 | L13 G53 | L13-D15 PolarHBondContact O-N 2.91Å; D15-G53 PolarHBondContact N-O 2.93Å |
| 16 | K | 98.6 | Very high | 97.7 | Very high | 87 Ų | 87 | 39 Ų | 39 | 38% | 0.378 | 19% | 0.19 | S | C | . | . | trans | -90.1 | 144 | 179.5 | -60.2 | -57.5 | -176.3 | 176.8 | 0 | 112.5 | L13 K14 V18 A54 K55 D157 V158 | L13-K16 WeakPolarHBondContact O-CB 3.38Å; L13-K16 PolarHBondContact O-N 3.37Å; K14-K16 PolarHBondContact O-N 3.22Å; K14-K16 VanDerWaalsContact O-N 3.13Å; K16-V18 HydrophobicContact CB-CG2 4.44Å; K16-A54 CarbonylContact O-C 3.56Å; K16-K55 PolarHBondContact O-N 3.49Å; K16-D157 HydrophobicContact CB-CB 4.46Å; K16-D157 HydrophobicContact CD-CB 3.98Å; K16-V158 HydrophobicContact CB-CG2 4.17Å; K16-V158 HydrophobicContact CG-CG2 4.18Å | ||
| 17 | R | 98.7 | Very high | 97.4 | Very high | 37 Ų | 37 | 40.8 Ų | 40.8 | 14% | 0.14 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 121.1 | 164.1 | -56.3 | 177.8 | -62.7 | 146.5 | 7 | 107.9 | C106 S154 G156 D157 V158 | R17-C106 VanDerWaalsContact CD-O 3.28Å; R17-C106 WeakPolarHBondContact CD-O 3.36Å; R17-C106 PolarHBondContact NH1-O 3.34Å; R17-S154 PolarHBondContact NH1-O 2.95Å; R17-S154 PolarHBondContact NH2-O 3.5Å; R17-G156 WeakPolarHBondContact O-CA 3.49Å; R17-D157 WeakPolarHBondContact CB-OD2 3.32Å; R17-D157 IonicContact CZ-OD1 3.6Å; R17-D157 PolarHBondContact N-OD2 2.92Å; R17-D157 IonicContact NE-OD1 3.89Å; R17-D157 PolarHBondContact NE-OD1 2.92Å; R17-D157 VanDerWaalsContact NE-OD1 3.17Å; R17-D157 IonicContact NE-OD2 3.78Å; R17-D157 IonicContact NH2-OD1 2.69Å; R17-D157 PolarHBondContact NH2-OD1 2.96Å; R17-D157 PolarHBondContact O-N 3.46Å; R17-V158 PolarHBondContact O-N 3.37Å |
| 18 | V | 98.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 116.5 | -174 | -170.6 | 0 | 0 | 0 | 0 | 109.3 | L13 K16 I20 A54 S56 L57 V58 V158 V160 | L13-V18 HydrophobicContact CD2-CG2 3.99Å; K16-V18 HydrophobicContact CB-CG2 4.44Å; V18-I20 HydrophobicContact CG1-CD1 4.25Å; V18-I20 HydrophobicContact CG1-CG1 3.84Å; V18-A54 HydrophobicContact CG2-CB 3.77Å; V18-S56 PolarHBondContact N-O 2.94Å; V18-L57 HydrophobicContact CB-CD2 3.84Å; V18-L57 HydrophobicContact CG2-CD2 4.27Å; V18-L57 CarbonylContact O-C 3.57Å; V18-L57 WeakPolarHBondContact O-CA 3.3Å; V18-V58 PolarHBondContact O-N 3.22Å; V18-V158 WeakPolarHBondContact CA-O 3.27Å; V18-V158 HydrophobicContact CG1-CB 4.39Å; V18-V158 HydrophobicContact CG1-CG1 4.34Å; V18-V158 HydrophobicContact CG2-CB 4.47Å; V18-V160 HydrophobicContact CG1-CB 4.45Å; V18-V160 HydrophobicContact CG1-CG2 3.64Å |
| 19 | V | 98.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 122.3 | 171.9 | -176.6 | 0 | 0 | 0 | 0 | 108 | V58 M60 L155 V158 Y159 V160 | V19-V58 CarbonylContact C-O 3.35Å; V19-V58 WeakPolarHBondContact CA-O 3.21Å; V19-V58 HydrophobicContact CG2-CB 4.27Å; V19-M60 HydrophobicContact CG1-CE 3.86Å; V19-M60 HydrophobicContact CG1-CG 4.43Å; V19-M60 HydrophobicContact CG1-SD 4.02Å; V19-L155 VanDerWaalsContact CG2-C 3.42Å; V19-L155 HydrophobicContact CG2-CB 3.73Å; V19-V158 PolarHBondContact N-O 2.68Å; V19-Y159 CarbonylContact O-C 3.57Å; V19-Y159 WeakPolarHBondContact O-CA 3.22Å; V19-V160 PolarHBondContact O-N 3.23Å |
| 20 | I | 98.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 117.9 | -177.7 | -45.1 | -175.2 | 0 | 0 | 0 | 109.9 | V18 V22 T45 L57 V58 L59 M60 V160 D162 | V18-I20 HydrophobicContact CG1-CD1 4.25Å; V18-I20 HydrophobicContact CG1-CG1 3.84Å; I20-V22 HydrophobicContact CB-CG1 4.41Å; I20-V22 HydrophobicContact CG2-CG1 3.68Å; I20-V22 PolarHBondContact O-N 3.24Å; I20-T45 HydrophobicContact CD1-CG2 4.39Å; I20-T45 HydrophobicContact CG2-CG2 4.47Å; I20-L57 HydrophobicContact CD1-CD1 4.43Å; I20-L57 HydrophobicContact CD1-CD2 4.22Å; I20-V58 PolarHBondContact N-O 3.41Å; I20-L59 HydrophobicContact CB-CD2 3.72Å; I20-L59 HydrophobicContact CD1-CD2 3.94Å; I20-L59 HydrophobicContact CG1-CD2 4.03Å; I20-L59 WeakPolarHBondContact O-CA 3.42Å; I20-M60 PolarHBondContact O-N 2.93Å; I20-V160 CarbonylContact C-O 3.57Å; I20-V160 VanDerWaalsContact CA-O 3.28Å; I20-V160 WeakPolarHBondContact CA-O 3.18Å; I20-V160 HydrophobicContact CB-CB 4.47Å; I20-V160 HydrophobicContact CG1-CB 4.19Å; I20-V160 HydrophobicContact CG2-CB 4.14Å; I20-V160 HydrophobicContact CG2-CG1 4.15Å; I20-D162 HydrophobicContact CG2-CB 4.19Å |
| 21 | R | 98.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 111.5 | 168.3 | -175.8 | 51.8 | 173 | 93.4 | 10.3 | 109.2 | M60 H62 Y159 V160 D162 A163 S173 M174 | R21-M60 HydrophobicContact CB-CE 3.8Å; R21-M60 HydrophobicContact CB-CG 4.38Å; R21-M60 WeakPolarHBondContact CD-O 3.25Å; R21-M60 HydrophobicContact CG-CE 4.37Å; R21-H62 PolarHBondContact NH2-ND1 3.34Å; R21-Y159 HydrophobicContact CB-CE2 4.06Å; R21-V160 PolarHBondContact N-O 3.18Å; R21-D162 CarbonylContact O-C 3.49Å; R21-D162 WeakPolarHBondContact O-CA 3.08Å; R21-D162 PolarHBondContact O-N 3.1Å; R21-A163 HydrophobicContact CG-CB 3.9Å; R21-A163 PolarHBondContact O-N 3.46Å; R21-S173 PolarHBondContact NE-OG 2.86Å; R21-M174 HydrophobicContact CG-SD 3.61Å |
| 22 | V | 98.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 153.8 | -179.6 | -65.1 | 0 | 0 | 0 | 0 | 110.4 | I20 Y24 L59 M60 S61 | I20-V22 HydrophobicContact CB-CG1 4.41Å; I20-V22 HydrophobicContact CG2-CG1 3.68Å; I20-V22 PolarHBondContact O-N 3.24Å; V22-Y24 HydrophobicContact CB-CD1 4.21Å; V22-Y24 HydrophobicContact CB-CE1 3.83Å; V22-Y24 HydrophobicContact CB-CE2 4.36Å; V22-Y24 HydrophobicContact CG2-CD1 3.96Å; V22-Y24 HydrophobicContact CG2-CD2 3.59Å; V22-Y24 HydrophobicContact CG2-CE1 3.73Å; V22-Y24 HydrophobicContact CG2-CE2 3.39Å; V22-Y24 HydrophobicContact CG2-CG 3.89Å; V22-Y24 VanDerWaalsContact CG2-CZ 3.46Å; V22-Y24 PolarHBondContact O-N 3.15Å; V22-L59 HydrophobicContact CG2-CB 4.47Å; V22-M60 PolarHBondContact N-O 3.15Å; V22-S61 VanDerWaalsContact O-CB 3.31Å; V22-S61 WeakPolarHBondContact O-CB 3.34Å; V22-S61 PolarHBondContact O-OG 3.42Å; V22-S61 VanDerWaalsContact O-OG 3.06Å |
| 23 | D | 96.1 | Very high | 95.7 | Very high | 14 Ų | 14 | 51.9 Ų | 51.9 | 8% | 0.075 | 26% | 0.264 | C | S | . | . | trans | -99.9 | 76.7 | -179.2 | -170.6 | 2 | 0 | 0 | 0 | 112.6 | N25 R38 H62 A163 | D23-N25 VanDerWaalsContact C-N 3.25Å; D23-N25 PolarHBondContact O-N 3.18Å; D23-N25 WeakPolarHBondContact OD1-CB 3.5Å; D23-N25 PolarHBondContact OD1-N 2.68Å; D23-R38 WeakPolarHBondContact O-CB 3.41Å; D23-R38 IonicContact OD1-NH1 3.44Å; D23-R38 IonicContact OD2-CZ 3.6Å; D23-R38 IonicContact OD2-NH1 3.11Å; D23-R38 PolarHBondContact OD2-NH1 2.96Å; D23-H62 IonicContact OD1-CE1 3.19Å; D23-A163 HydrophobicContact CB-CB 3.96Å | ||
| 24 | Y | 97.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.289 | C | S | . | . | trans | -89.4 | 33.2 | 176.2 | -58.5 | -22 | 0 | 0 | 0 | 113.9 | V22 V26 I39 S42 I46 S61 H62 V79 L83 L116 | V22-Y24 HydrophobicContact CB-CD1 4.21Å; V22-Y24 HydrophobicContact CB-CE1 3.83Å; V22-Y24 HydrophobicContact CB-CE2 4.36Å; V22-Y24 HydrophobicContact CG2-CD1 3.96Å; V22-Y24 HydrophobicContact CG2-CD2 3.59Å; V22-Y24 HydrophobicContact CG2-CE1 3.73Å; V22-Y24 HydrophobicContact CG2-CE2 3.39Å; V22-Y24 HydrophobicContact CG2-CG 3.89Å; V22-Y24 VanDerWaalsContact CG2-CZ 3.46Å; V22-Y24 PolarHBondContact O-N 3.15Å; Y24-V26 PolarHBondContact O-N 3.23Å; Y24-I39 HydrophobicContact CD1-CG1 4.01Å; Y24-I39 HydrophobicContact CE1-CB 4.26Å; Y24-I39 HydrophobicContact CE1-CG1 4.2Å; Y24-I39 HydrophobicContact CE1-CG2 4.28Å; Y24-I39 HydrophobicContact CG-CG1 4.42Å; Y24-S42 WeakPolarHBondContact CE1-OG 3.45Å; Y24-S42 PolarHBondContact OH-OG 2.74Å; Y24-I46 WeakPolarHBondContact OH-CD1 3.26Å; Y24-S61 WeakPolarHBondContact CA-OG 3.47Å; Y24-S61 WeakPolarHBondContact CB-OG 3.39Å; Y24-S61 PolarHBondContact N-OG 3.01Å; Y24-H62 CarbonylContact C-O 3.53Å; Y24-V79 HydrophobicContact CD2-CG1 3.37Å; Y24-V79 HydrophobicContact CE2-CG1 4.05Å; Y24-V79 HydrophobicContact CG-CG1 3.74Å; Y24-L83 HydrophobicContact CE2-CD2 4.22Å; Y24-L116 HydrophobicContact CD2-CD1 4.11Å; Y24-L116 HydrophobicContact CE2-CD1 4.12Å | ||
| 25 | N | 95.3 | Very high | 95 | Very high | 58 Ų | 58 | 53.5 Ų | 53.5 | 31% | 0.31 | 28% | 0.282 | S | S | . | . | trans | -74.5 | 62.5 | 167.2 | -170.8 | 42.4 | 0 | 0 | 0 | 110.7 | D23 R38 H62 G64 | D23-N25 VanDerWaalsContact C-N 3.25Å; D23-N25 PolarHBondContact O-N 3.18Å; D23-N25 WeakPolarHBondContact OD1-CB 3.5Å; D23-N25 PolarHBondContact OD1-N 2.68Å; N25-R38 VanDerWaalsContact O-CD 3.25Å; N25-R38 WeakPolarHBondContact O-CD 3.48Å; N25-R38 PolarHBondContact O-NE 2.79Å; N25-H62 PolarHBondContact N-O 3.23Å; N25-G64 PolarHBondContact OD1-N 3.43Å | ||
| 26 | V | 93.8 | Very high | 94.8 | Very high | 5 Ų | 5 | 50.8 Ų | 50.8 | 3% | 0.03 | 27% | 0.27 | C | S | . | . | trans | -73.3 | 146.7 | -177.4 | -70.2 | 0 | 0 | 0 | 0 | 111.4 | Y24 M28 I33 R38 I39 L63 V79 | Y24-V26 PolarHBondContact O-N 3.23Å; V26-M28 HydrophobicContact CG2-CG 4.34Å; V26-M28 HydrophobicContact CG2-SD 4.13Å; V26-M28 PolarHBondContact O-N 3.05Å; V26-I33 HydrophobicContact CB-CG2 4.1Å; V26-I33 HydrophobicContact CG1-CG2 4.48Å; V26-I33 HydrophobicContact CG2-CD1 4.3Å; V26-I33 HydrophobicContact CG2-CG1 3.98Å; V26-I33 HydrophobicContact CG2-CG2 4.19Å; V26-R38 HydrophobicContact CG1-CB 3.91Å; V26-I39 HydrophobicContact CG1-CD1 4.29Å; V26-I39 HydrophobicContact CG1-CG1 4Å; V26-L63 HydrophobicContact CG2-CD1 4.09Å; V26-L63 WeakPolarHBondContact O-CD1 3.18Å; V26-V79 HydrophobicContact CG2-CG2 3.79Å | ||
| 27 | P | 91.1 | Very high | 94.4 | Very high | 61 Ų | 61 | 50.9 Ų | 50.9 | 40% | 0.396 | 27% | 0.272 | S | S | . | . | trans | -67.4 | 132.8 | 171.5 | 30.2 | -34.2 | 0 | 0 | 0 | 109.8 | T34 N35 | P27-T34 WeakPolarHBondContact CB-OG1 3.42Å; P27-T34 WeakPolarHBondContact CG-OG1 3.44Å; P27-T34 PolarHBondContact O-N 2.76Å; P27-T34 PolarHBondContact O-OG1 3.34Å; P27-N35 HydrophobicContact CG-CB 3.65Å | ||
| 28 | M | 92 | Very high | 94.1 | Very high | 56 Ų | 56 | 52.5 Ų | 52.5 | 28% | 0.276 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 140.6 | -177.4 | -65.9 | -75.4 | -79.6 | 0 | 0 | 109.5 | V26 G31 K32 I33 L63 P78 | V26-M28 HydrophobicContact CG2-CG 4.34Å; V26-M28 HydrophobicContact CG2-SD 4.13Å; V26-M28 PolarHBondContact O-N 3.05Å; M28-G31 VanDerWaalsContact CE-O 3.29Å; M28-G31 WeakPolarHBondContact CE-O 3.43Å; M28-K32 CarbonylContact C-O 3.33Å; M28-K32 VanDerWaalsContact CA-O 3.31Å; M28-K32 WeakPolarHBondContact CA-O 3.45Å; M28-I33 HydrophobicContact SD-CB 4.14Å; M28-I33 HydrophobicContact SD-CG1 3.42Å; M28-I33 WeakPolarHBondContact SD-CG1 3.3Å; M28-L63 HydrophobicContact CG-CD1 4.32Å; M28-L63 HydrophobicContact CG-CD2 4.33Å; M28-P78 HydrophobicContact CE-CB 3.99Å; M28-P78 HydrophobicContact CE-CG 3.92Å |
| 29 | K | 91.8 | Very high | 94 | Very high | 140 Ų | 140 | 52.5 Ų | 52.5 | 61% | 0.609 | 28% | 0.278 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 127.8 | 168.5 | -175.4 | 178.8 | 176.8 | -179.7 | 0 | 108.4 | G31 K32 T34 | K29-G31 PolarHBondContact O-N 3.04Å; K29-K32 PolarHBondContact N-O 3.35Å; K29-K32 PolarHBondContact O-N 3.27Å; K29-T34 HydrophobicContact CB-CG2 3.5Å; K29-T34 VanDerWaalsContact CB-CG2 3.5Å |
| 30 | D | 90.5 | Very high | 93.8 | Very high | 145 Ų | 145 | 55.1 Ų | 55.1 | 78% | 0.775 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.4 | 42 | 178.9 | -51 | -40.3 | 0 | 0 | 0 | 113.1 | K32 | D30-K32 PolarHBondContact O-N 2.71Š|
| 31 | G | 88.4 | Confident | 93.6 | Very high | 51 Ų | 51 | 57.5 Ų | 57.5 | 53% | 0.526 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.8 | 2.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | M28 K29 | M28-G31 VanDerWaalsContact CE-O 3.29Å; M28-G31 WeakPolarHBondContact CE-O 3.43Å; K29-G31 PolarHBondContact O-N 3.04Å |
| 32 | K | 93.2 | Very high | 93.5 | Very high | 157 Ų | 157 | 57.6 Ų | 57.6 | 68% | 0.683 | 31% | 0.306 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 142.8 | 178.9 | -63.1 | -179.9 | -178.3 | 177.5 | 0 | 111.4 | M28 K29 D30 T34 | M28-K32 CarbonylContact C-O 3.33Å; M28-K32 VanDerWaalsContact CA-O 3.31Å; M28-K32 WeakPolarHBondContact CA-O 3.45Å; K29-K32 PolarHBondContact N-O 3.35Å; K29-K32 PolarHBondContact O-N 3.27Å; D30-K32 PolarHBondContact O-N 2.71Å; K32-T34 PolarHBondContact O-N 2.67Å |
| 33 | I | 95.2 | Very high | 93.5 | Very high | 34 Ų | 34 | 58.3 Ų | 58.3 | 17% | 0.174 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 122.9 | 174.4 | -59.6 | 170.5 | 0 | 0 | 0 | 108.5 | V26 M28 N35 T36 I39 V79 A82 | V26-I33 HydrophobicContact CB-CG2 4.1Å; V26-I33 HydrophobicContact CG1-CG2 4.48Å; V26-I33 HydrophobicContact CG2-CD1 4.3Å; V26-I33 HydrophobicContact CG2-CG1 3.98Å; V26-I33 HydrophobicContact CG2-CG2 4.19Å; M28-I33 HydrophobicContact SD-CB 4.14Å; M28-I33 HydrophobicContact SD-CG1 3.42Å; M28-I33 WeakPolarHBondContact SD-CG1 3.3Å; I33-N35 VanDerWaalsContact CG2-O 3.28Å; I33-N35 WeakPolarHBondContact CG2-O 3.21Å; I33-T36 HydrophobicContact CG2-CG2 3.81Å; I33-I39 HydrophobicContact CD1-CD1 3.89Å; I33-V79 HydrophobicContact CD1-CG2 4.05Å; I33-A82 HydrophobicContact CD1-CB 3.6Å |
| 34 | T | 92.2 | Very high | 93.6 | Very high | 87 Ų | 87 | 60.9 Ų | 60.9 | 53% | 0.534 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -90.3 | -20.8 | 178 | 58.2 | 0 | 0 | 0 | 0 | 112.8 | P27 K29 K32 | P27-T34 WeakPolarHBondContact CB-OG1 3.42Å; P27-T34 WeakPolarHBondContact CG-OG1 3.44Å; P27-T34 PolarHBondContact O-N 2.76Å; P27-T34 PolarHBondContact O-OG1 3.34Å; K29-T34 HydrophobicContact CB-CG2 3.5Å; K29-T34 VanDerWaalsContact CB-CG2 3.5Å; K32-T34 PolarHBondContact O-N 2.67Å |
| 35 | N | 89.7 | Confident | 93.6 | Very high | 81 Ų | 81 | 60.9 Ų | 60.9 | 43% | 0.433 | 33% | 0.327 | S | S | . | . | trans | -147.8 | 120.9 | 175.2 | -173.4 | -19.6 | 0 | 0 | 0 | 110.4 | P27 I33 Q37 | P27-N35 HydrophobicContact CG-CB 3.65Å; I33-N35 VanDerWaalsContact CG2-O 3.28Å; I33-N35 WeakPolarHBondContact CG2-O 3.21Å; N35-Q37 WeakPolarHBondContact OD1-CB 3.5Å; N35-Q37 PolarHBondContact OD1-N 3.07Å | ||
| 36 | T | 93.5 | Very high | 93.8 | Very high | 54 Ų | 54 | 58.1 Ų | 58.1 | 33% | 0.331 | 31% | 0.312 | S | S | . | . | trans | -90.8 | 2.8 | -178 | 54.3 | 0 | 0 | 0 | 0 | 113.9 | I33 R38 I39 V40 L86 | I33-T36 HydrophobicContact CG2-CG2 3.81Å; T36-R38 VanDerWaalsContact C-N 3.27Å; T36-R38 PolarHBondContact O-N 3.24Å; T36-R38 VanDerWaalsContact O-N 3.15Å; T36-I39 WeakPolarHBondContact O-CA 3.32Å; T36-I39 WeakPolarHBondContact O-CB 3.34Å; T36-I39 PolarHBondContact O-N 2.87Å; T36-V40 PolarHBondContact O-N 2.8Å; T36-L86 HydrophobicContact CG2-CD1 4.46Å | ||
| 37 | Q | 89.8 | Confident | 94 | Very high | 89 Ų | 89 | 62.1 Ų | 62.1 | 42% | 0.416 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -50.7 | -44.4 | -174.2 | -178.8 | 62 | 20.5 | 0 | 0 | 112.9 | N35 I39 V40 E41 | N35-Q37 WeakPolarHBondContact OD1-CB 3.5Å; N35-Q37 PolarHBondContact OD1-N 3.07Å; Q37-I39 PolarHBondContact O-N 2.85Å; Q37-V40 WeakPolarHBondContact O-CB 3.5Å; Q37-V40 PolarHBondContact O-N 2.79Å; Q37-V40 VanDerWaalsContact O-N 3.08Å; Q37-E41 HydrophobicContact CG-CG 4.34Å; Q37-E41 VanDerWaalsContact NE2-CD 3.34Å; Q37-E41 PolarHBondContact NE2-OE1 3.13Å; Q37-E41 WeakPolarHBondContact O-CG 3.42Å; Q37-E41 PolarHBondContact O-N 2.89Å |
| 38 | R | 92.2 | Very high | 94.4 | Very high | 71 Ų | 71 | 61.6 Ų | 61.6 | 27% | 0.268 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -61.9 | -29 | 177.9 | -71.5 | 179.7 | 173.4 | -77.3 | -7.3 | 113.9 | D23 N25 V26 T36 T392 | D23-R38 WeakPolarHBondContact O-CB 3.41Å; D23-R38 IonicContact OD1-NH1 3.44Å; D23-R38 IonicContact OD2-CZ 3.6Å; D23-R38 IonicContact OD2-NH1 3.11Å; D23-R38 PolarHBondContact OD2-NH1 2.96Å; N25-R38 VanDerWaalsContact O-CD 3.25Å; N25-R38 WeakPolarHBondContact O-CD 3.48Å; N25-R38 PolarHBondContact O-NE 2.79Å; V26-R38 HydrophobicContact CG1-CB 3.91Å; T36-R38 VanDerWaalsContact C-N 3.27Å; T36-R38 PolarHBondContact O-N 3.24Å; T36-R38 VanDerWaalsContact O-N 3.15Å; R38-T392 PolarHBondContact NH2-O 2.98Å |
| 39 | I | 96.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -77.7 | -43.9 | 173.5 | -54.4 | 173.9 | 0 | 0 | 0 | 109.5 | Y24 V26 I33 T36 Q37 E41 S42 L43 V79 A82 L83 L86 | Y24-I39 HydrophobicContact CD1-CG1 4.01Å; Y24-I39 HydrophobicContact CE1-CB 4.26Å; Y24-I39 HydrophobicContact CE1-CG1 4.2Å; Y24-I39 HydrophobicContact CE1-CG2 4.28Å; Y24-I39 HydrophobicContact CG-CG1 4.42Å; V26-I39 HydrophobicContact CG1-CD1 4.29Å; V26-I39 HydrophobicContact CG1-CG1 4Å; I33-I39 HydrophobicContact CD1-CD1 3.89Å; T36-I39 WeakPolarHBondContact O-CA 3.32Å; T36-I39 WeakPolarHBondContact O-CB 3.34Å; T36-I39 PolarHBondContact O-N 2.87Å; Q37-I39 PolarHBondContact O-N 2.85Å; I39-E41 VanDerWaalsContact C-N 3.27Å; I39-E41 PolarHBondContact O-N 2.94Å; I39-S42 PolarHBondContact O-N 3.04Å; I39-S42 PolarHBondContact O-OG 2.94Å; I39-L43 WeakPolarHBondContact O-CG 3.23Å; I39-V79 HydrophobicContact CD1-CG1 3.86Å; I39-V79 HydrophobicContact CG1-CG1 4.24Å; I39-A82 HydrophobicContact CD1-CB 4Å; I39-L83 HydrophobicContact CG2-CB 4.1Å; I39-L83 HydrophobicContact CG2-CD1 3.71Å; I39-L83 HydrophobicContact CG2-CG 4.5Å; I39-L86 HydrophobicContact CB-CD1 4.05Å; I39-L86 HydrophobicContact CG2-CD1 3.74Å |
| 40 | V | 95.4 | Very high | 95 | Very high | 55 Ų | 55 | 53.9 Ų | 53.9 | 33% | 0.333 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -59.1 | -39.6 | 178.8 | 174.1 | 0 | 0 | 0 | 0 | 111.6 | T36 Q37 S42 L43 L86 | T36-V40 PolarHBondContact O-N 2.8Å; Q37-V40 WeakPolarHBondContact O-CB 3.5Å; Q37-V40 PolarHBondContact O-N 2.79Å; Q37-V40 VanDerWaalsContact O-N 3.08Å; V40-S42 VanDerWaalsContact C-N 3.3Å; V40-S42 PolarHBondContact O-N 2.99Å; V40-L43 WeakPolarHBondContact O-CB 3.41Å; V40-L43 WeakPolarHBondContact O-CG 3.41Å; V40-L43 PolarHBondContact O-N 2.88Å; V40-L86 HydrophobicContact CG2-CD1 4.12Å; V40-L86 HydrophobicContact CG2-CD2 4.31Å |
| 41 | E | 93.3 | Very high | 95.3 | Very high | 49 Ų | 49 | 54 Ų | 54 | 23% | 0.229 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -23.1 | -177.9 | -74.8 | 173 | 158.3 | 0 | 0 | 114.3 | Q37 I39 P44 L187 T392 | Q37-E41 HydrophobicContact CG-CG 4.34Å; Q37-E41 VanDerWaalsContact NE2-CD 3.34Å; Q37-E41 PolarHBondContact NE2-OE1 3.13Å; Q37-E41 WeakPolarHBondContact O-CG 3.42Å; Q37-E41 PolarHBondContact O-N 2.89Å; I39-E41 VanDerWaalsContact C-N 3.27Å; I39-E41 PolarHBondContact O-N 2.94Å; E41-P44 WeakPolarHBondContact O-CD 3.4Å; E41-L187 HydrophobicContact CB-CD1 4.36Å; E41-L187 HydrophobicContact CB-CD2 4.17Å; E41-T392 VanDerWaalsContact CD-CG2 3.5Å; E41-T392 WeakPolarHBondContact OE1-CG2 3.33Å; E41-T392 WeakPolarHBondContact OE2-CG2 3.42Å |
| 42 | S | 96.7 | Very high | 95.8 | Very high | 3 Ų | 3 | 54.8 Ų | 54.8 | 2% | 0.021 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -16.7 | 174.7 | 72.5 | 0 | 0 | 0 | 0 | 113.1 | Y24 I39 V40 P44 T45 I46 | Y24-S42 WeakPolarHBondContact CE1-OG 3.45Å; Y24-S42 PolarHBondContact OH-OG 2.74Å; I39-S42 PolarHBondContact O-N 3.04Å; I39-S42 PolarHBondContact O-OG 2.94Å; V40-S42 VanDerWaalsContact C-N 3.3Å; V40-S42 PolarHBondContact O-N 2.99Å; S42-P44 VanDerWaalsContact C-CD 3.46Å; S42-T45 PolarHBondContact O-N 3.11Å; S42-T45 VanDerWaalsContact O-N 3.12Å; S42-I46 WeakPolarHBondContact O-CG1 3.47Å; S42-I46 PolarHBondContact O-N 2.76Å; S42-I46 VanDerWaalsContact O-N 3.11Å |
| 43 | L | 98.2 | Very high | 96 | Very high | 14 Ų | 14 | 48.8 Ų | 48.8 | 7% | 0.073 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -57.5 | -40 | -175.4 | -62 | 179.9 | 0 | 0 | 0 | 113.8 | I39 V40 T45 I46 K47 L83 L86 L87 | I39-L43 WeakPolarHBondContact O-CG 3.23Å; V40-L43 WeakPolarHBondContact O-CB 3.41Å; V40-L43 WeakPolarHBondContact O-CG 3.41Å; V40-L43 PolarHBondContact O-N 2.88Å; L43-T45 VanDerWaalsContact C-N 3.29Å; L43-T45 PolarHBondContact O-N 2.8Å; L43-I46 PolarHBondContact O-N 2.83Å; L43-K47 WeakPolarHBondContact O-CB 3.37Å; L43-K47 VanDerWaalsContact O-CG 3.28Å; L43-K47 WeakPolarHBondContact O-CG 3.05Å; L43-K47 PolarHBondContact O-N 2.61Å; L43-L83 HydrophobicContact CD2-CD1 3.8Å; L43-L86 HydrophobicContact CD1-CB 4.23Å; L43-L87 HydrophobicContact CD2-CD1 4.36Å |
| 44 | P | 98.3 | Very high | 96.2 | Very high | 69 Ų | 69 | 47.5 Ų | 47.5 | 45% | 0.448 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -56.1 | -43.2 | 176 | -26.9 | 36.7 | 0 | 0 | 0 | 112.7 | E41 S42 Y48 F186 | E41-P44 WeakPolarHBondContact O-CD 3.4Å; S42-P44 VanDerWaalsContact C-CD 3.46Å; P44-Y48 VanDerWaalsContact O-CB 3.22Å; P44-Y48 WeakPolarHBondContact O-CB 3.4Å; P44-Y48 PolarHBondContact O-N 2.92Å; P44-F186 HydrophobicContact CB-CD2 4.07Å |
| 45 | T | 98.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66.9 | -45.2 | 178.8 | -56.9 | 0 | 0 | 0 | 0 | 111.1 | I8 I20 S42 L43 A49 V160 D162 F186 | I8-T45 HydrophobicContact CD1-CG2 3.7Å; I20-T45 HydrophobicContact CD1-CG2 4.39Å; I20-T45 HydrophobicContact CG2-CG2 4.47Å; S42-T45 PolarHBondContact O-N 3.11Å; S42-T45 VanDerWaalsContact O-N 3.12Å; L43-T45 VanDerWaalsContact C-N 3.29Å; L43-T45 PolarHBondContact O-N 2.8Å; T45-A49 WeakPolarHBondContact O-CB 3.49Å; T45-A49 PolarHBondContact O-N 3.17Å; T45-V160 HydrophobicContact CG2-CG1 4Å; T45-D162 WeakPolarHBondContact CB-OD2 3.47Å; T45-D162 HydrophobicContact CG2-CB 4.47Å; T45-D162 VanDerWaalsContact OG1-CG 3.27Å; T45-D162 PolarHBondContact OG1-OD2 2.84Å; T45-F186 PolarHBondContact OG1-N 2.9Å |
| 46 | I | 98.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.3 | -49.6 | 179.7 | -68.8 | 171 | 0 | 0 | 0 | 110.9 | Y24 S42 L43 A49 L50 L57 L59 L83 L87 | Y24-I46 WeakPolarHBondContact OH-CD1 3.26Å; S42-I46 WeakPolarHBondContact O-CG1 3.47Å; S42-I46 PolarHBondContact O-N 2.76Å; S42-I46 VanDerWaalsContact O-N 3.11Å; L43-I46 PolarHBondContact O-N 2.83Å; I46-A49 PolarHBondContact O-N 3.42Å; I46-L50 HydrophobicContact CG2-CD1 4.3Å; I46-L50 WeakPolarHBondContact O-CG 3.26Å; I46-L50 PolarHBondContact O-N 3.39Å; I46-L57 HydrophobicContact CB-CD1 4.36Å; I46-L57 HydrophobicContact CG2-CD1 3.73Å; I46-L59 HydrophobicContact CD1-CD1 3.75Å; I46-L59 HydrophobicContact CD1-CD2 4.24Å; I46-L59 HydrophobicContact CG1-CD1 4.47Å; I46-L59 HydrophobicContact CG1-CD2 4.16Å; I46-L83 HydrophobicContact CD1-CD1 4.13Å; I46-L87 HydrophobicContact CG2-CD1 4.03Å; I46-L87 HydrophobicContact CG2-CD2 3.89Å |
| 47 | K | 98.5 | Very high | 97.2 | Very high | 89 Ų | 89 | 39.6 Ų | 39.6 | 39% | 0.387 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -61.9 | -47.3 | -180 | -72.3 | 176.8 | 179.3 | -176.9 | 0 | 111.2 | L43 A49 L50 E51 L87 | L43-K47 WeakPolarHBondContact O-CB 3.37Å; L43-K47 VanDerWaalsContact O-CG 3.28Å; L43-K47 WeakPolarHBondContact O-CG 3.05Å; L43-K47 PolarHBondContact O-N 2.61Å; K47-A49 VanDerWaalsContact C-N 3.32Å; K47-A49 PolarHBondContact O-N 2.87Å; K47-L50 PolarHBondContact O-N 3.4Å; K47-E51 WeakPolarHBondContact O-CB 3.48Å; K47-E51 VanDerWaalsContact O-CG 3.27Å; K47-E51 WeakPolarHBondContact O-CG 3.44Å; K47-E51 PolarHBondContact O-N 2.88Å; K47-L87 HydrophobicContact CG-CD1 3.94Å |
| 48 | Y | 98.7 | Very high | 97.6 | Very high | 50 Ų | 50 | 35.3 Ų | 35.3 | 20% | 0.196 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -58.5 | -43.3 | 177.4 | 178.4 | -87.2 | 0 | 0 | 0 | 112.6 | I8 D9 L13 P44 L50 E51 N52 F186 | I8-Y48 HydrophobicContact CD1-CD1 4.18Å; I8-Y48 HydrophobicContact CG1-CD1 4.11Å; I8-Y48 HydrophobicContact CG1-CE1 4.22Å; I8-Y48 HydrophobicContact CG2-CD1 4.3Å; D9-Y48 VanDerWaalsContact CA-OH 3.29Å; D9-Y48 WeakPolarHBondContact CA-OH 3.23Å; D9-Y48 HydrophobicContact CB-CE1 4.32Å; D9-Y48 HydrophobicContact CB-CE2 4.24Å; L13-Y48 HydrophobicContact CD1-CD1 4.18Å; L13-Y48 HydrophobicContact CD1-CE1 4.05Å; P44-Y48 VanDerWaalsContact O-CB 3.22Å; P44-Y48 WeakPolarHBondContact O-CB 3.4Å; P44-Y48 PolarHBondContact O-N 2.92Å; Y48-L50 VanDerWaalsContact C-N 3.35Å; Y48-L50 PolarHBondContact O-N 3.44Å; Y48-E51 PolarHBondContact O-N 3.43Å; Y48-N52 VanDerWaalsContact CD2-ND2 3.33Å; Y48-N52 WeakPolarHBondContact CD2-ND2 3.06Å; Y48-N52 HydrophobicContact CE1-CB 4.3Å; Y48-N52 WeakPolarHBondContact CE2-ND2 3.48Å; Y48-N52 WeakPolarHBondContact O-CB 3.32Å; Y48-N52 PolarHBondContact O-N 3.22Å; Y48-N52 PolarHBondContact O-ND2 3.41Å; Y48-F186 VanDerWaalsContact CB-CE2 3.47Å; Y48-F186 HydrophobicContact CD1-CE2 4.13Å; Y48-F186 HydrophobicContact CD1-CZ 4.11Å; Y48-F186 AromaticContact CD2-CE2 3.79Å; Y48-F186 HydrophobicContact CD2-CE2 3.79Å; Y48-F186 AromaticContact CD2-CZ 3.65Å; Y48-F186 HydrophobicContact CD2-CZ 3.65Å; Y48-F186 HydrophobicContact CE2-CZ 4.06Å; Y48-F186 AromaticContact CG-CE2 3.51Å; Y48-F186 HydrophobicContact CG-CE2 3.51Å; Y48-F186 AromaticContact CG-CZ 3.7Å; Y48-F186 HydrophobicContact CG-CZ 3.7Å |
| 49 | A | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.5 | -45.5 | 179 | 0 | 0 | 0 | 0 | 0 | 111.8 | I8 L13 T45 I46 K47 N52 A54 L57 | I8-A49 HydrophobicContact CD1-CB 4.16Å; L13-A49 HydrophobicContact CD1-CB 3.99Å; T45-A49 WeakPolarHBondContact O-CB 3.49Å; T45-A49 PolarHBondContact O-N 3.17Å; I46-A49 PolarHBondContact O-N 3.42Å; K47-A49 VanDerWaalsContact C-N 3.32Å; K47-A49 PolarHBondContact O-N 2.87Å; A49-N52 PolarHBondContact O-N 3.27Å; A49-A54 HydrophobicContact CB-CB 4.26Å; A49-A54 WeakPolarHBondContact O-CB 3.23Å; A49-A54 PolarHBondContact O-N 3.46Å; A49-L57 HydrophobicContact CB-CD1 4.43Å; A49-L57 HydrophobicContact CB-CD2 3.69Å |
| 50 | L | 98 | Very high | 98 | Very high | 33 Ų | 33 | 32 Ų | 32 | 17% | 0.173 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64 | -46.5 | 176.5 | -65.5 | 169.8 | 0 | 0 | 0 | 112.2 | I46 K47 Y48 N52 G53 L57 K89 I114 | I46-L50 HydrophobicContact CG2-CD1 4.3Å; I46-L50 WeakPolarHBondContact O-CG 3.26Å; I46-L50 PolarHBondContact O-N 3.39Å; K47-L50 PolarHBondContact O-N 3.4Å; Y48-L50 VanDerWaalsContact C-N 3.35Å; Y48-L50 PolarHBondContact O-N 3.44Å; L50-N52 PolarHBondContact O-N 3.36Å; L50-G53 PolarHBondContact O-N 2.82Å; L50-L57 HydrophobicContact CD1-CD1 4.33Å; L50-L57 HydrophobicContact CD2-CD1 3.91Å; L50-L57 HydrophobicContact CD2-CG 3.97Å; L50-L57 HydrophobicContact CG-CD1 3.84Å; L50-L57 HydrophobicContact CG-CG 4.41Å; L50-K89 HydrophobicContact CD1-CD 3.95Å; L50-I114 HydrophobicContact CD1-CD1 3.8Å; L50-I114 HydrophobicContact CD2-CD1 4.45Å; L50-I114 HydrophobicContact CD2-CG1 4.36Å |
| 51 | E | 97.8 | Very high | 98.2 | Very high | 148 Ų | 148 | 29.3 Ų | 29.3 | 69% | 0.692 | 15% | 0.152 | S | C | * | . | H | α-helix | trans | -64.4 | -28.6 | -179.4 | -72.6 | 165 | -170.9 | 0 | 0 | 112.3 | K47 Y48 G53 | K47-E51 WeakPolarHBondContact O-CB 3.48Å; K47-E51 VanDerWaalsContact O-CG 3.27Å; K47-E51 WeakPolarHBondContact O-CG 3.44Å; K47-E51 PolarHBondContact O-N 2.88Å; Y48-E51 PolarHBondContact O-N 3.43Å; E51-G53 VanDerWaalsContact C-N 3.32Å |
| 52 | N | 98.3 | Very high | 98.4 | Very high | 68 Ų | 68 | 27.2 Ų | 27.2 | 36% | 0.364 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | 23.6 | 177.8 | -71 | -92 | 0 | 0 | 0 | 113.2 | L13 Y48 A49 L50 | L13-N52 HydrophobicContact CD1-CB 4.43Å; Y48-N52 VanDerWaalsContact CD2-ND2 3.33Å; Y48-N52 WeakPolarHBondContact CD2-ND2 3.06Å; Y48-N52 HydrophobicContact CE1-CB 4.3Å; Y48-N52 WeakPolarHBondContact CE2-ND2 3.48Å; Y48-N52 WeakPolarHBondContact O-CB 3.32Å; Y48-N52 PolarHBondContact O-N 3.22Å; Y48-N52 PolarHBondContact O-ND2 3.41Å; A49-N52 PolarHBondContact O-N 3.27Å; L50-N52 PolarHBondContact O-N 3.36Å |
| 53 | G | 97.5 | Very high | 98.4 | Very high | 31 Ų | 31 | 27.3 Ų | 27.3 | 32% | 0.32 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82.3 | 17.7 | 166 | 0 | 0 | 0 | 0 | 0 | 115.5 | L13 K14 D15 L50 E51 K55 | L13-G53 CarbonylContact O-C 3.54Å; K14-G53 CarbonylContact C-O 3.52Å; K14-G53 WeakPolarHBondContact CA-O 3.48Å; D15-G53 PolarHBondContact N-O 2.93Å; L50-G53 PolarHBondContact O-N 2.82Å; E51-G53 VanDerWaalsContact C-N 3.32Å; G53-K55 PolarHBondContact O-N 2.78Å |
| 54 | A | 98.6 | Very high | 98.3 | Very high | 7 Ų | 7 | 27.4 Ų | 27.4 | 6% | 0.058 | 15% | 0.147 | C | C | . | . | trans | -54.7 | 128.1 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | L13 K16 V18 A49 L57 | L13-A54 HydrophobicContact CB-CB 4.41Å; L13-A54 VanDerWaalsContact O-CA 3.26Å; L13-A54 WeakPolarHBondContact O-CA 3.43Å; L13-A54 PolarHBondContact O-N 2.82Å; K16-A54 CarbonylContact O-C 3.56Å; V18-A54 HydrophobicContact CG2-CB 3.77Å; A49-A54 HydrophobicContact CB-CB 4.26Å; A49-A54 WeakPolarHBondContact O-CB 3.23Å; A49-A54 PolarHBondContact O-N 3.46Å; A54-L57 HydrophobicContact CB-CD2 3.88Å | ||
| 55 | K | 98.6 | Very high | 98.2 | Very high | 55 Ų | 55 | 32.1 Ų | 32.1 | 24% | 0.239 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -64.1 | -44.3 | 177.4 | 177.3 | 175.9 | 178.8 | 175.1 | 0 | 111.1 | K16 G53 N108 P109 A111 G112 | K16-K55 PolarHBondContact O-N 3.49Å; G53-K55 PolarHBondContact O-N 2.78Å; K55-N108 PolarHBondContact NZ-OD1 2.64Å; K55-P109 VanDerWaalsContact CE-O 3.23Å; K55-P109 WeakPolarHBondContact CE-O 3.23Å; K55-A111 CarbonylContact O-C 3.42Å; K55-A111 VanDerWaalsContact O-CA 3.28Å; K55-A111 WeakPolarHBondContact O-CA 3.13Å; K55-G112 PolarHBondContact O-N 3.42Å |
| 56 | S | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.7 | 156.4 | 178.4 | 61 | 0 | 0 | 0 | 0 | 111.1 | V18 P109 T113 | V18-S56 PolarHBondContact N-O 2.94Å; S56-P109 VanDerWaalsContact CB-CG 3.45Å; S56-P109 VanDerWaalsContact OG-CG 3.29Å; S56-P109 WeakPolarHBondContact OG-CG 3.33Å; S56-T113 CarbonylContact C-O 3.53Å; S56-T113 WeakPolarHBondContact CA-O 3.45Å; S56-T113 VanDerWaalsContact CB-O 3.31Å; S56-T113 WeakPolarHBondContact CB-O 3.47Å |
| 57 | L | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 134.9 | 174 | -53.6 | -174.4 | 0 | 0 | 0 | 110 | V18 I20 I46 A49 L50 A54 L59 T113 I114 F115 | V18-L57 HydrophobicContact CB-CD2 3.84Å; V18-L57 HydrophobicContact CG2-CD2 4.27Å; V18-L57 CarbonylContact O-C 3.57Å; V18-L57 WeakPolarHBondContact O-CA 3.3Å; I20-L57 HydrophobicContact CD1-CD1 4.43Å; I20-L57 HydrophobicContact CD1-CD2 4.22Å; I46-L57 HydrophobicContact CB-CD1 4.36Å; I46-L57 HydrophobicContact CG2-CD1 3.73Å; A49-L57 HydrophobicContact CB-CD1 4.43Å; A49-L57 HydrophobicContact CB-CD2 3.69Å; L50-L57 HydrophobicContact CD1-CD1 4.33Å; L50-L57 HydrophobicContact CD2-CD1 3.91Å; L50-L57 HydrophobicContact CD2-CG 3.97Å; L50-L57 HydrophobicContact CG-CD1 3.84Å; L50-L57 HydrophobicContact CG-CG 4.41Å; A54-L57 HydrophobicContact CB-CD2 3.88Å; L57-L59 HydrophobicContact CB-CD2 4.32Å; L57-T113 PolarHBondContact N-O 3.16Å; L57-I114 HydrophobicContact CB-CG2 4.32Å; L57-I114 WeakPolarHBondContact O-CA 3.33Å; L57-F115 PolarHBondContact O-N 3.28Å |
| 58 | V | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 102.3 | 170.2 | -176.8 | 0 | 0 | 0 | 0 | 107.6 | V18 V19 I20 C106 F115 L117 L155 | V18-V58 PolarHBondContact O-N 3.22Å; V19-V58 CarbonylContact C-O 3.35Å; V19-V58 WeakPolarHBondContact CA-O 3.21Å; V19-V58 HydrophobicContact CG2-CB 4.27Å; I20-V58 PolarHBondContact N-O 3.41Å; V58-C106 HydrophobicContact CG2-CB 4.08Å; V58-C106 VanDerWaalsContact CG2-SG 3.6Å; V58-F115 HydrophobicContact CG2-CD2 4.09Å; V58-L117 HydrophobicContact CG1-CD1 3.87Å; V58-L117 HydrophobicContact CG1-CD2 3.8Å; V58-L117 HydrophobicContact CG1-CG 3.82Å; V58-L155 HydrophobicContact CG1-CB 4.26Å; V58-L155 HydrophobicContact CG1-CD1 4.14Å |
| 59 | L | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 132.6 | -179.4 | -50.7 | -179.1 | 0 | 0 | 0 | 109.4 | I20 V22 I46 L57 L83 I114 F115 L116 L117 | I20-L59 HydrophobicContact CB-CD2 3.72Å; I20-L59 HydrophobicContact CD1-CD2 3.94Å; I20-L59 HydrophobicContact CG1-CD2 4.03Å; I20-L59 WeakPolarHBondContact O-CA 3.42Å; V22-L59 HydrophobicContact CG2-CB 4.47Å; I46-L59 HydrophobicContact CD1-CD1 3.75Å; I46-L59 HydrophobicContact CD1-CD2 4.24Å; I46-L59 HydrophobicContact CG1-CD1 4.47Å; I46-L59 HydrophobicContact CG1-CD2 4.16Å; L57-L59 HydrophobicContact CB-CD2 4.32Å; L59-L83 HydrophobicContact CD1-CD2 3.37Å; L59-I114 HydrophobicContact CD1-CG2 4.05Å; L59-I114 HydrophobicContact CG-CG2 4.36Å; L59-F115 WeakPolarHBondContact CB-O 3.4Å; L59-F115 WeakPolarHBondContact CG-O 3.32Å; L59-F115 PolarHBondContact N-O 3.28Å; L59-L116 HydrophobicContact CB-CD1 3.88Å; L59-L117 WeakPolarHBondContact O-CG 3.31Å; L59-L117 PolarHBondContact O-N 2.72Å |
| 60 | M | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 140.6 | 176.8 | 63.5 | 177.2 | -179.8 | 0 | 0 | 111.2 | V19 I20 R21 V22 L117 L120 L152 Y159 S173 V177 | V19-M60 HydrophobicContact CG1-CE 3.86Å; V19-M60 HydrophobicContact CG1-CG 4.43Å; V19-M60 HydrophobicContact CG1-SD 4.02Å; I20-M60 PolarHBondContact O-N 2.93Å; R21-M60 HydrophobicContact CB-CE 3.8Å; R21-M60 HydrophobicContact CB-CG 4.38Å; R21-M60 WeakPolarHBondContact CD-O 3.25Å; R21-M60 HydrophobicContact CG-CE 4.37Å; V22-M60 PolarHBondContact N-O 3.15Å; M60-L117 HydrophobicContact CB-CB 4.43Å; M60-L117 HydrophobicContact CB-CD1 3.84Å; M60-L117 HydrophobicContact CB-CG 4.34Å; M60-L120 HydrophobicContact CB-CD1 4.13Å; M60-L120 HydrophobicContact CB-CD2 4.31Å; M60-L120 HydrophobicContact CB-CG 4.38Å; M60-L120 HydrophobicContact CG-CD1 4.27Å; M60-L120 HydrophobicContact SD-CD1 4.47Å; M60-L120 HydrophobicContact SD-CD2 4.29Å; M60-L152 HydrophobicContact SD-CD1 4.4Å; M60-L152 HydrophobicContact SD-CD2 4.03Å; M60-Y159 HydrophobicContact CE-CD2 4.18Å; M60-Y159 HydrophobicContact CE-CE2 3.51Å; M60-S173 WeakPolarHBondContact CE-O 3.43Å; M60-V177 HydrophobicContact CE-CG2 4.09Å |
| 61 | S | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.202 | C | C | . | . | trans | -153.2 | 173.5 | -178 | -171.6 | 0 | 0 | 0 | 0 | 111.6 | V22 Y24 L120 | V22-S61 VanDerWaalsContact O-CB 3.31Å; V22-S61 WeakPolarHBondContact O-CB 3.34Å; V22-S61 PolarHBondContact O-OG 3.42Å; V22-S61 VanDerWaalsContact O-OG 3.06Å; Y24-S61 WeakPolarHBondContact CA-OG 3.47Å; Y24-S61 WeakPolarHBondContact CB-OG 3.39Å; Y24-S61 PolarHBondContact N-OG 3.01Å; S61-L120 WeakPolarHBondContact O-CD1 3.11Å; S61-L120 VanDerWaalsContact O-CG 3.27Å; S61-L120 WeakPolarHBondContact O-CG 3.36Å; S61-L120 PolarHBondContact O-N 3.43Å | ||
| 62 | H | 98 | Very high | 97.2 | Very high | 5 Ų | 5 | 37.8 Ų | 37.8 | 2% | 0.023 | 21% | 0.206 | C | C | . | . | trans | -113.8 | 163.2 | 163.8 | 66.7 | -74.2 | 0 | 0 | 0 | 110.7 | R21 D23 Y24 N25 N119 R121 T166 | R21-H62 PolarHBondContact NH2-ND1 3.34Å; D23-H62 IonicContact OD1-CE1 3.19Å; Y24-H62 CarbonylContact C-O 3.53Å; N25-H62 PolarHBondContact N-O 3.23Å; H62-N119 VanDerWaalsContact CA-OD1 3.25Å; H62-N119 WeakPolarHBondContact CA-OD1 3.28Å; H62-R121 HydrophobicContact CB-CG 3.71Å; H62-R121 PolarHBondContact CD2-NE 3.41Å; H62-R121 PolarHBondContact CD2-NH2 2.83Å; H62-R121 PolarHBondContact NE2-NH2 2.91Å; H62-T166 PolarHBondContact CE1-OG1 3.27Å; H62-T166 VanDerWaalsContact CE1-OG1 3.24Å | ||
| 63 | L | 97.7 | Very high | 97.1 | Very high | 4 Ų | 4 | 40.5 Ų | 40.5 | 2% | 0.021 | 21% | 0.214 | C | C | . | . | trans | -139.5 | 126.5 | 167.9 | -176.9 | 64.2 | 0 | 0 | 0 | 109.2 | V26 M28 T75 L76 N119 | V26-L63 HydrophobicContact CG2-CD1 4.09Å; V26-L63 WeakPolarHBondContact O-CD1 3.18Å; M28-L63 HydrophobicContact CG-CD1 4.32Å; M28-L63 HydrophobicContact CG-CD2 4.33Å; L63-T75 WeakPolarHBondContact CD2-O 3.18Å; L63-L76 HydrophobicContact CB-CD2 3.84Å; L63-L76 HydrophobicContact CB-CG 4.44Å; L63-L76 HydrophobicContact CD2-CD2 4.45Å; L63-N119 PolarHBondContact N-ND2 3.41Å; L63-N119 PolarHBondContact N-OD1 3.47Å; L63-N119 PolarHBondContact O-ND2 3.34Å | ||
| 64 | G | 96.1 | Very high | 97.1 | Very high | 17 Ų | 17 | 41.8 Ų | 41.8 | 18% | 0.175 | 21% | 0.21 | C | C | . | . | S | Bend | trans | 62.6 | -149.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | N25 R121 | N25-G64 PolarHBondContact OD1-N 3.43Å; G64-R121 PolarHBondContact O-NH1 3.47Å |
| 65 | R | 95.2 | Very high | 97 | Very high | 168 Ų | 168 | 42.8 Ų | 42.8 | 63% | 0.634 | 22% | 0.215 | S | C | * | . | trans | -136.1 | 77.2 | -177.6 | -61.6 | -177.8 | -171 | 177.7 | 3.1 | 109.4 | ||||
| 66 | P | 96.1 | Very high | 97 | Very high | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.006 | 20% | 0.204 | C | C | . | . | trans | -76.1 | -6.9 | 174.5 | 27.7 | -34.6 | 0 | 0 | 0 | 114.2 | G68 H69 Y74 R121 F122 | P66-G68 PolarHBondContact O-N 3.19Å; P66-H69 VanDerWaalsContact CB-O 3.23Å; P66-H69 WeakPolarHBondContact CB-O 3.31Å; P66-H69 PolarHBondContact O-N 3.37Å; P66-Y74 HydrophobicContact CB-CD2 3.69Å; P66-Y74 HydrophobicContact CB-CE2 4.25Å; P66-Y74 HydrophobicContact CB-CG 4.39Å; P66-Y74 HydrophobicContact CG-CD2 4.44Å; P66-R121 HydrophobicContact CG-CB 3.5Å; P66-R121 WeakPolarHBondContact CG-O 3.46Å; P66-F122 HydrophobicContact CB-CD1 3.74Å; P66-F122 HydrophobicContact CB-CE1 3.85Å; P66-F122 HydrophobicContact CG-CD1 3.72Å; P66-F122 HydrophobicContact CG-CE1 4.02Å | ||
| 67 | D | 95.9 | Very high | 97 | Very high | 67 Ų | 67 | 46 Ų | 46 | 36% | 0.358 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.4 | 33.8 | 178.3 | -62.4 | -38.5 | 0 | 0 | 0 | 114.7 | G130 V131 | D67-G130 CarbonylContact O-C 3.57Å; D67-G130 WeakPolarHBondContact O-CA 3.47Å; D67-V131 HydrophobicContact CB-CG1 4.33Å; D67-V131 HydrophobicContact CB-CG2 3.81Å; D67-V131 PolarHBondContact O-N 2.99Å |
| 68 | G | 96.7 | Very high | 96.9 | Very high | 18 Ų | 18 | 47.7 Ų | 47.7 | 19% | 0.186 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 94.7 | 9.3 | -180 | 0 | 0 | 0 | 0 | 0 | 115.8 | P66 R121 F122 | P66-G68 PolarHBondContact O-N 3.19Å; G68-R121 WeakPolarHBondContact CA-O 3.1Å; G68-R121 PolarHBondContact N-O 2.98Å; G68-R121 VanDerWaalsContact N-O 3.11Å; G68-F122 CarbonylContact C-O 3.56Å |
| 69 | H | 95.4 | Very high | 96.9 | Very high | 66 Ų | 66 | 47.7 Ų | 47.7 | 31% | 0.306 | 24% | 0.237 | S | C | . | . | trans | -114.4 | 138.3 | -178.3 | -60.4 | -69 | 0 | 0 | 0 | 113.4 | P66 E71 F122 V131 | P66-H69 VanDerWaalsContact CB-O 3.23Å; P66-H69 WeakPolarHBondContact CB-O 3.31Å; P66-H69 PolarHBondContact O-N 3.37Å; H69-E71 HydrophobicContact CB-CG 4.41Å; H69-E71 PolarHBondContact O-N 3.39Å; H69-E71 VanDerWaalsContact O-N 3.14Å; H69-F122 WeakPolarHBondContact O-CD1 3.48Å; H69-F122 WeakPolarHBondContact O-CE1 3.43Å; H69-V131 PolarHBondContact CE1-O 3.38Å; H69-V131 WeakPolarHBondContact NE2-CG2 3.43Å; H69-V131 PolarHBondContact NE2-O 3.45Å | ||
| 70 | K | 95.9 | Very high | 96.9 | Very high | 132 Ų | 132 | 47.8 Ų | 47.8 | 57% | 0.574 | 24% | 0.238 | S | C | * | . | trans | -70.2 | 109.5 | 169.7 | -64.9 | -169.4 | 178.1 | -171.3 | 0 | 109.4 | D96 F122 | K70-D96 IonicContact NZ-OD2 2.71Å; K70-D96 PolarHBondContact NZ-OD2 2.73Å; K70-F122 HydrophobicContact CB-CD2 4.16Å; K70-F122 HydrophobicContact CB-CE2 4.4Å; K70-F122 HydrophobicContact CB-CG 4.44Å; K70-F122 HydrophobicContact CG-CB 3.98Å; K70-F122 HydrophobicContact CG-CD2 3.73Å; K70-F122 HydrophobicContact CG-CE2 4.41Å; K70-F122 HydrophobicContact CG-CG 3.99Å | ||
| 71 | E | 94.2 | Very high | 96.9 | Very high | 61 Ų | 61 | 50.8 Ų | 50.8 | 29% | 0.285 | 25% | 0.254 | S | S | . | . | trans | -127.6 | 128.3 | 177.4 | -71.1 | -170.6 | -116 | 0 | 0 | 111 | H69 K73 Y74 T75 F122 | H69-E71 HydrophobicContact CB-CG 4.41Å; H69-E71 PolarHBondContact O-N 3.39Å; H69-E71 VanDerWaalsContact O-N 3.14Å; E71-K73 HydrophobicContact CB-CG 4.38Å; E71-K73 PolarHBondContact O-N 3.23Å; E71-K73 VanDerWaalsContact O-N 3.11Å; E71-K73 IonicContact OE1-NZ 3.46Å; E71-K73 WeakPolarHBondContact OE2-CE 3.33Å; E71-K73 IonicContact OE2-NZ 3.9Å; E71-K73 PolarHBondContact OE2-NZ 3.27Å; E71-Y74 HydrophobicContact CB-CD2 3.97Å; E71-Y74 PolarHBondContact O-N 3.43Å; E71-T75 PolarHBondContact O-N 3.34Å; E71-F122 WeakPolarHBondContact O-CZ 3.47Å | ||
| 72 | A | 94.7 | Very high | 96.8 | Very high | 93 Ų | 93 | 51.4 Ų | 51.4 | 77% | 0.769 | 26% | 0.259 | S | S | * | . | G | 310 helix | trans | -56.5 | -33.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y74 T75 | A72-Y74 PolarHBondContact O-N 3.08Å; A72-T75 WeakPolarHBondContact O-CG2 3.36Å; A72-T75 PolarHBondContact O-N 3.3Å |
| 73 | K | 95.5 | Very high | 96.9 | Very high | 126 Ų | 126 | 51.1 Ų | 51.1 | 55% | 0.548 | 26% | 0.258 | S | S | . | . | G | 310 helix | trans | -66.5 | -18.3 | 177.5 | 73.2 | -174.3 | -172.3 | -138.3 | 0 | 114.2 | E71 | E71-K73 HydrophobicContact CB-CG 4.38Å; E71-K73 PolarHBondContact O-N 3.23Å; E71-K73 VanDerWaalsContact O-N 3.11Å; E71-K73 IonicContact OE1-NZ 3.46Å; E71-K73 WeakPolarHBondContact OE2-CE 3.33Å; E71-K73 IonicContact OE2-NZ 3.9Å; E71-K73 PolarHBondContact OE2-NZ 3.27Å |
| 74 | Y | 96.7 | Very high | 96.9 | Very high | 57 Ų | 57 | 54.7 Ų | 54.7 | 22% | 0.224 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -112.7 | 10.6 | -177.7 | -65.9 | -47.3 | 0 | 0 | 0 | 112.7 | P66 E71 A72 N119 | P66-Y74 HydrophobicContact CB-CD2 3.69Å; P66-Y74 HydrophobicContact CB-CE2 4.25Å; P66-Y74 HydrophobicContact CB-CG 4.39Å; P66-Y74 HydrophobicContact CG-CD2 4.44Å; E71-Y74 HydrophobicContact CB-CD2 3.97Å; E71-Y74 PolarHBondContact O-N 3.43Å; A72-Y74 PolarHBondContact O-N 3.08Å; Y74-N119 PolarHBondContact O-ND2 3.03Å |
| 75 | T | 98.1 | Very high | 97 | Very high | 28 Ų | 28 | 61.6 Ų | 61.6 | 17% | 0.172 | 30% | 0.302 | C | S | . | . | trans | -65.4 | 145.1 | 172.7 | -176.2 | 0 | 0 | 0 | 0 | 111.2 | L63 E71 A72 R77 E118 | L63-T75 WeakPolarHBondContact CD2-O 3.18Å; E71-T75 PolarHBondContact O-N 3.34Å; A72-T75 WeakPolarHBondContact O-CG2 3.36Å; A72-T75 PolarHBondContact O-N 3.3Å; T75-R77 VanDerWaalsContact C-N 3.25Å; T75-R77 HydrophobicContact CG2-CB 4.06Å; T75-R77 PolarHBondContact O-N 2.85Å; T75-R77 PolarHBondContact OG1-N 2.94Å; T75-E118 WeakPolarHBondContact CA-OE1 3.49Å; T75-E118 WeakPolarHBondContact CB-OE2 3.41Å; T75-E118 PolarHBondContact OG1-OE1 2.99Å; T75-E118 PolarHBondContact OG1-OE2 2.71Å | ||
| 76 | L | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -82.8 | 3.3 | 171.7 | -74.5 | 174.9 | 0 | 0 | 0 | 113.1 | L63 V79 A80 F93 L116 L117 E118 N119 | L63-L76 HydrophobicContact CB-CD2 3.84Å; L63-L76 HydrophobicContact CB-CG 4.44Å; L63-L76 HydrophobicContact CD2-CD2 4.45Å; L76-V79 HydrophobicContact CD2-CB 4.11Å; L76-V79 HydrophobicContact CD2-CG1 4.42Å; L76-V79 HydrophobicContact CD2-CG2 3.84Å; L76-V79 CarbonylContact O-C 3.6Å; L76-V79 WeakPolarHBondContact O-CA 3.32Å; L76-V79 VanDerWaalsContact O-CB 3.25Å; L76-V79 WeakPolarHBondContact O-CB 3.33Å; L76-V79 PolarHBondContact O-N 3.27Å; L76-A80 PolarHBondContact O-N 2.86Å; L76-F93 HydrophobicContact CB-CE2 3.86Å; L76-F93 HydrophobicContact CB-CZ 4.45Å; L76-L116 HydrophobicContact CB-CD2 4.28Å; L76-L117 WeakPolarHBondContact CD1-O 3.44Å; L76-E118 PolarHBondContact N-OE1 2.86Å; L76-N119 HydrophobicContact CD1-CB 4.44Å; L76-N119 HydrophobicContact CG-CB 4.34Å |
| 77 | R | 98 | Very high | 97.2 | Very high | 123 Ų | 123 | 57.5 Ų | 57.5 | 46% | 0.464 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -54.9 | -48.4 | -179.3 | -179.6 | 69.1 | -160.3 | -147.9 | 6.2 | 113.9 | T75 V79 A80 D81 F93 | T75-R77 VanDerWaalsContact C-N 3.25Å; T75-R77 HydrophobicContact CG2-CB 4.06Å; T75-R77 PolarHBondContact O-N 2.85Å; T75-R77 PolarHBondContact OG1-N 2.94Å; R77-V79 PolarHBondContact O-N 3.16Å; R77-A80 VanDerWaalsContact O-CB 3.31Å; R77-A80 WeakPolarHBondContact O-CB 3.24Å; R77-A80 PolarHBondContact O-N 3.28Å; R77-D81 IonicContact CZ-OD1 3.84Å; R77-D81 IonicContact NE-OD1 3.49Å; R77-D81 PolarHBondContact NE-OD1 3.42Å; R77-D81 IonicContact NE-OD2 3.79Å; R77-D81 IonicContact NH2-OD1 3.34Å; R77-D81 PolarHBondContact NH2-OD1 3.02Å; R77-D81 PolarHBondContact O-N 3.07Å; R77-F93 HydrophobicContact CB-CD1 4.35Å; R77-F93 HydrophobicContact CB-CE1 4.01Å; R77-F93 HydrophobicContact CB-CZ 4.14Å |
| 78 | P | 97.9 | Very high | 97.3 | Very high | 36 Ų | 36 | 57.6 Ų | 57.6 | 23% | 0.234 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -59.9 | -30.1 | 174.5 | -25.5 | 35.1 | 0 | 0 | 0 | 113.6 | M28 A82 | M28-P78 HydrophobicContact CE-CB 3.99Å; M28-P78 HydrophobicContact CE-CG 3.92Å; P78-A82 WeakPolarHBondContact O-CB 3.38Å; P78-A82 PolarHBondContact O-N 3.31Å |
| 79 | V | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -70.4 | -38.4 | 175.7 | 178.4 | 0 | 0 | 0 | 0 | 110.9 | Y24 V26 I33 I39 L76 R77 D81 A82 L83 L116 | Y24-V79 HydrophobicContact CD2-CG1 3.37Å; Y24-V79 HydrophobicContact CE2-CG1 4.05Å; Y24-V79 HydrophobicContact CG-CG1 3.74Å; V26-V79 HydrophobicContact CG2-CG2 3.79Å; I33-V79 HydrophobicContact CD1-CG2 4.05Å; I39-V79 HydrophobicContact CD1-CG1 3.86Å; I39-V79 HydrophobicContact CG1-CG1 4.24Å; L76-V79 HydrophobicContact CD2-CB 4.11Å; L76-V79 HydrophobicContact CD2-CG1 4.42Å; L76-V79 HydrophobicContact CD2-CG2 3.84Å; L76-V79 CarbonylContact O-C 3.6Å; L76-V79 WeakPolarHBondContact O-CA 3.32Å; L76-V79 VanDerWaalsContact O-CB 3.25Å; L76-V79 WeakPolarHBondContact O-CB 3.33Å; L76-V79 PolarHBondContact O-N 3.27Å; R77-V79 PolarHBondContact O-N 3.16Å; V79-D81 VanDerWaalsContact C-N 3.34Å; V79-D81 PolarHBondContact O-N 2.91Å; V79-A82 PolarHBondContact O-N 2.75Å; V79-L83 VanDerWaalsContact O-CB 3.23Å; V79-L83 WeakPolarHBondContact O-CB 3.48Å; V79-L83 PolarHBondContact O-N 2.88Å; V79-L116 HydrophobicContact CB-CD2 4.2Å; V79-L116 HydrophobicContact CG1-CD2 3.97Å |
| 80 | A | 98.4 | Very high | 97.4 | Very high | 2 Ų | 2 | 63.5 Ų | 63.5 | 2% | 0.017 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -59.3 | -46.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | L76 R77 L83 Q84 V91 F93 L116 | L76-A80 PolarHBondContact O-N 2.86Å; R77-A80 VanDerWaalsContact O-CB 3.31Å; R77-A80 WeakPolarHBondContact O-CB 3.24Å; R77-A80 PolarHBondContact O-N 3.28Å; A80-L83 PolarHBondContact O-N 3.43Å; A80-Q84 WeakPolarHBondContact O-CB 3.5Å; A80-Q84 PolarHBondContact O-N 2.58Å; A80-V91 HydrophobicContact CB-CG1 4.41Å; A80-F93 HydrophobicContact CB-CB 3.96Å; A80-F93 HydrophobicContact CB-CD2 3.85Å; A80-F93 HydrophobicContact CB-CG 4.2Å; A80-L116 HydrophobicContact CB-CB 4.45Å; A80-L116 HydrophobicContact CB-CD2 3.8Å |
| 81 | D | 97.9 | Very high | 97.5 | Very high | 62 Ų | 62 | 57.9 Ų | 57.9 | 33% | 0.332 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -65.2 | -43.5 | -179.1 | -61.7 | -32 | 0 | 0 | 0 | 111 | R77 V79 Q84 Q85 | R77-D81 IonicContact CZ-OD1 3.84Å; R77-D81 IonicContact NE-OD1 3.49Å; R77-D81 PolarHBondContact NE-OD1 3.42Å; R77-D81 IonicContact NE-OD2 3.79Å; R77-D81 IonicContact NH2-OD1 3.34Å; R77-D81 PolarHBondContact NH2-OD1 3.02Å; R77-D81 PolarHBondContact O-N 3.07Å; V79-D81 VanDerWaalsContact C-N 3.34Å; V79-D81 PolarHBondContact O-N 2.91Å; D81-Q84 PolarHBondContact O-N 3.38Å; D81-Q85 WeakPolarHBondContact O-CG 3.4Å; D81-Q85 PolarHBondContact O-N 3.07Å; D81-Q85 VanDerWaalsContact O-N 3.13Å |
| 82 | A | 98.3 | Very high | 97.8 | Very high | 13 Ų | 13 | 60.4 Ų | 60.4 | 11% | 0.107 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -66.2 | -41.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | I33 I39 P78 V79 Q85 L86 | I33-A82 HydrophobicContact CD1-CB 3.6Å; I39-A82 HydrophobicContact CD1-CB 4Å; P78-A82 WeakPolarHBondContact O-CB 3.38Å; P78-A82 PolarHBondContact O-N 3.31Å; V79-A82 PolarHBondContact O-N 2.75Å; A82-Q85 PolarHBondContact O-N 3.34Å; A82-L86 WeakPolarHBondContact O-CB 3.41Å; A82-L86 WeakPolarHBondContact O-CG 3.32Å; A82-L86 PolarHBondContact O-N 2.82Å |
| 83 | L | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.3 | -43.6 | 175.8 | 176.5 | 64.1 | 0 | 0 | 0 | 111.2 | Y24 I39 L43 I46 L59 V79 A80 Q85 L86 L87 V91 | Y24-L83 HydrophobicContact CE2-CD2 4.22Å; I39-L83 HydrophobicContact CG2-CB 4.1Å; I39-L83 HydrophobicContact CG2-CD1 3.71Å; I39-L83 HydrophobicContact CG2-CG 4.5Å; L43-L83 HydrophobicContact CD2-CD1 3.8Å; I46-L83 HydrophobicContact CD1-CD1 4.13Å; L59-L83 HydrophobicContact CD1-CD2 3.37Å; V79-L83 VanDerWaalsContact O-CB 3.23Å; V79-L83 WeakPolarHBondContact O-CB 3.48Å; V79-L83 PolarHBondContact O-N 2.88Å; A80-L83 PolarHBondContact O-N 3.43Å; L83-Q85 VanDerWaalsContact C-N 3.31Å; L83-Q85 PolarHBondContact O-N 2.99Å; L83-L86 PolarHBondContact O-N 3.07Å; L83-L87 WeakPolarHBondContact O-CB 3.28Å; L83-L87 PolarHBondContact O-N 2.92Å; L83-V91 HydrophobicContact CB-CG2 4.5Å; L83-V91 HydrophobicContact CD2-CG1 4.26Å; L83-V91 HydrophobicContact CD2-CG2 4.08Å; L83-V91 HydrophobicContact CG-CG2 4.01Å |
| 84 | Q | 98.6 | Very high | 98.1 | Very high | 78 Ų | 78 | 52.9 Ų | 52.9 | 36% | 0.364 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -57 | -45.2 | 175.8 | 173.6 | 168.7 | -80.7 | 0 | 0 | 111.5 | A80 D81 G88 K89 V91 | A80-Q84 WeakPolarHBondContact O-CB 3.5Å; A80-Q84 PolarHBondContact O-N 2.58Å; D81-Q84 PolarHBondContact O-N 3.38Å; Q84-G88 PolarHBondContact O-N 2.91Å; Q84-K89 WeakPolarHBondContact CG-O 3.33Å; Q84-K89 PolarHBondContact O-N 2.85Å; Q84-V91 HydrophobicContact CB-CB 4.11Å; Q84-V91 HydrophobicContact CB-CG2 3.94Å |
| 85 | Q | 98 | Very high | 98.1 | Very high | 162 Ų | 162 | 55 Ų | 55 | 76% | 0.757 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -63.9 | -48.8 | 176.9 | -71.1 | 177.8 | -6.2 | 0 | 0 | 112.2 | D81 A82 L83 L87 G88 | D81-Q85 WeakPolarHBondContact O-CG 3.4Å; D81-Q85 PolarHBondContact O-N 3.07Å; D81-Q85 VanDerWaalsContact O-N 3.13Å; A82-Q85 PolarHBondContact O-N 3.34Å; L83-Q85 VanDerWaalsContact C-N 3.31Å; L83-Q85 PolarHBondContact O-N 2.99Å; Q85-L87 VanDerWaalsContact C-N 3.32Å; Q85-L87 PolarHBondContact O-N 2.81Å; Q85-G88 PolarHBondContact O-N 3.37Å |
| 86 | L | 98.2 | Very high | 98.1 | Very high | 66 Ų | 66 | 55.1 Ų | 55.1 | 35% | 0.346 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -66.8 | -32.6 | -178.4 | -72 | 168.9 | 0 | 0 | 0 | 113.1 | T36 I39 V40 L43 A82 L83 | T36-L86 HydrophobicContact CG2-CD1 4.46Å; I39-L86 HydrophobicContact CB-CD1 4.05Å; I39-L86 HydrophobicContact CG2-CD1 3.74Å; V40-L86 HydrophobicContact CG2-CD1 4.12Å; V40-L86 HydrophobicContact CG2-CD2 4.31Å; L43-L86 HydrophobicContact CD1-CB 4.23Å; A82-L86 WeakPolarHBondContact O-CB 3.41Å; A82-L86 WeakPolarHBondContact O-CG 3.32Å; A82-L86 PolarHBondContact O-N 2.82Å; L83-L86 PolarHBondContact O-N 3.07Å |
| 87 | L | 97.5 | Very high | 98.1 | Very high | 18 Ų | 18 | 55.1 Ų | 55.1 | 9% | 0.094 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -85.3 | -23.8 | -179.9 | -170.7 | 61.1 | 0 | 0 | 0 | 112.7 | L43 I46 K47 L83 Q85 K89 I114 | L43-L87 HydrophobicContact CD2-CD1 4.36Å; I46-L87 HydrophobicContact CG2-CD1 4.03Å; I46-L87 HydrophobicContact CG2-CD2 3.89Å; K47-L87 HydrophobicContact CG-CD1 3.94Å; L83-L87 WeakPolarHBondContact O-CB 3.28Å; L83-L87 PolarHBondContact O-N 2.92Å; Q85-L87 VanDerWaalsContact C-N 3.32Å; Q85-L87 PolarHBondContact O-N 2.81Å; L87-K89 HydrophobicContact CD2-CB 4.11Å; L87-K89 HydrophobicContact CD2-CD 4.48Å; L87-K89 HydrophobicContact CG-CB 4.07Å; L87-K89 HydrophobicContact CG-CD 4.36Å; L87-K89 HydrophobicContact CG-CG 4.32Å; L87-K89 PolarHBondContact O-N 2.84Å; L87-I114 HydrophobicContact CD2-CD1 3.26Å |
| 88 | G | 97.4 | Very high | 98.2 | Very high | 68 Ų | 68 | 50.2 Ų | 50.2 | 70% | 0.701 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66 | 25.6 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q84 Q85 | Q84-G88 PolarHBondContact O-N 2.91Å; Q85-G88 PolarHBondContact O-N 3.37Å |
| 89 | K | 96.8 | Very high | 98.1 | Very high | 106 Ų | 106 | 49.5 Ų | 49.5 | 46% | 0.461 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -137.8 | 145.6 | 179.9 | -68.7 | -176.8 | 179.9 | -70.2 | 0 | 110.3 | L50 Q84 L87 V91 I114 | L50-K89 HydrophobicContact CD1-CD 3.95Å; Q84-K89 WeakPolarHBondContact CG-O 3.33Å; Q84-K89 PolarHBondContact O-N 2.85Å; L87-K89 HydrophobicContact CD2-CB 4.11Å; L87-K89 HydrophobicContact CD2-CD 4.48Å; L87-K89 HydrophobicContact CG-CB 4.07Å; L87-K89 HydrophobicContact CG-CD 4.36Å; L87-K89 HydrophobicContact CG-CG 4.32Å; L87-K89 PolarHBondContact O-N 2.84Å; K89-V91 PolarHBondContact O-N 2.84Å; K89-I114 HydrophobicContact CB-CD1 4.33Å; K89-I114 HydrophobicContact CD-CD1 4.39Å |
| 90 | P | 98 | Very high | 98.1 | Very high | 103 Ų | 103 | 54.7 Ų | 54.7 | 67% | 0.669 | 31% | 0.312 | S | S | * | . | trans | -57 | 134.2 | 176.8 | -24.3 | 34 | 0 | 0 | 0 | 112.6 | ||||
| 91 | V | 98.7 | Very high | 98.1 | Very high | 13 Ų | 13 | 62.4 Ų | 62.4 | 8% | 0.079 | 35% | 0.348 | C | S | . | . | trans | -117.4 | 120 | 173.7 | 177.8 | 0 | 0 | 0 | 0 | 108.7 | A80 L83 Q84 K89 F93 I114 L116 | A80-V91 HydrophobicContact CB-CG1 4.41Å; L83-V91 HydrophobicContact CB-CG2 4.5Å; L83-V91 HydrophobicContact CD2-CG1 4.26Å; L83-V91 HydrophobicContact CD2-CG2 4.08Å; L83-V91 HydrophobicContact CG-CG2 4.01Å; Q84-V91 HydrophobicContact CB-CB 4.11Å; Q84-V91 HydrophobicContact CB-CG2 3.94Å; K89-V91 PolarHBondContact O-N 2.84Å; V91-F93 PolarHBondContact O-N 3.29Å; V91-I114 HydrophobicContact CG1-CG2 4.49Å; V91-I114 HydrophobicContact CG2-CG2 4.29Å; V91-L116 HydrophobicContact CG1-CB 3.91Å | ||
| 92 | K | 98.6 | Very high | 98.1 | Very high | 114 Ų | 114 | 59.8 Ų | 59.8 | 50% | 0.496 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 110.8 | 176.8 | -66.6 | -174.5 | -177.4 | 177 | 0 | 109.6 | T113 I114 F115 L116 | K92-T113 HydrophobicContact CD-CG2 3.86Å; K92-I114 PolarHBondContact N-O 3.01Å; K92-F115 HydrophobicContact CB-CD1 3.65Å; K92-F115 HydrophobicContact CB-CE1 3.95Å; K92-F115 HydrophobicContact CD-CD1 4.36Å; K92-F115 HydrophobicContact CD-CE1 3.81Å; K92-F115 HydrophobicContact CD-CZ 4.41Å; K92-F115 CarbonylContact O-C 3.55Å; K92-F115 VanDerWaalsContact O-CA 3.22Å; K92-F115 WeakPolarHBondContact O-CA 3.48Å; K92-L116 PolarHBondContact O-N 2.89Å |
| 93 | F | 98.7 | Very high | 98.2 | Very high | 31 Ų | 31 | 62.5 Ų | 62.5 | 14% | 0.136 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 127.3 | 173.4 | -174.5 | -109.7 | 0 | 0 | 0 | 110.7 | L76 R77 A80 V91 T95 L116 E118 | L76-F93 HydrophobicContact CB-CE2 3.86Å; L76-F93 HydrophobicContact CB-CZ 4.45Å; R77-F93 HydrophobicContact CB-CD1 4.35Å; R77-F93 HydrophobicContact CB-CE1 4.01Å; R77-F93 HydrophobicContact CB-CZ 4.14Å; A80-F93 HydrophobicContact CB-CB 3.96Å; A80-F93 HydrophobicContact CB-CD2 3.85Å; A80-F93 HydrophobicContact CB-CG 4.2Å; V91-F93 PolarHBondContact O-N 3.29Å; F93-T95 HydrophobicContact CD1-CG2 4.48Å; F93-T95 HydrophobicContact CE1-CG2 4.35Å; F93-L116 WeakPolarHBondContact CA-O 3.37Å; F93-L116 HydrophobicContact CD2-CB 4.37Å; F93-L116 HydrophobicContact CD2-CG 4.34Å; F93-L116 WeakPolarHBondContact CD2-O 3.41Å; F93-E118 HydrophobicContact CZ-CB 4.07Å; F93-E118 HydrophobicContact CZ-CG 4.35Å; F93-E118 WeakPolarHBondContact CZ-OE2 3.26Å |
| 94 | L | 98.7 | Very high | 98.1 | Very high | 30 Ų | 30 | 68.1 Ų | 68.1 | 16% | 0.157 | 37% | 0.371 | C | S | . | . | trans | -100.9 | 133.9 | 170.6 | -57.9 | -175.3 | 0 | 0 | 0 | 108.7 | D96 V102 A105 F115 L116 L117 E118 | L94-D96 PolarHBondContact O-N 2.95Å; L94-D96 VanDerWaalsContact O-N 3.16Å; L94-V102 HydrophobicContact CB-CG2 4.49Å; L94-V102 HydrophobicContact CD1-CB 4.4Å; L94-V102 HydrophobicContact CD1-CG1 3.92Å; L94-V102 HydrophobicContact CD1-CG2 4.41Å; L94-A105 HydrophobicContact CD1-CB 4.15Å; L94-A105 HydrophobicContact CD2-CB 4.27Å; L94-F115 HydrophobicContact CD1-CB 4.46Å; L94-F115 HydrophobicContact CD1-CD1 3.85Å; L94-F115 HydrophobicContact CD1-CE1 4.39Å; L94-F115 HydrophobicContact CD1-CG 4.32Å; L94-F115 HydrophobicContact CD2-CD1 3.94Å; L94-F115 HydrophobicContact CD2-CE1 4.18Å; L94-F115 HydrophobicContact CG-CD1 3.86Å; L94-L116 PolarHBondContact N-O 3.29Å; L94-L117 HydrophobicContact CB-CD2 4.25Å; L94-L117 HydrophobicContact CD1-CD2 3.76Å; L94-L117 HydrophobicContact CG-CD2 4.37Å; L94-E118 WeakPolarHBondContact O-CB 3.49Å; L94-E118 PolarHBondContact O-N 2.79Å | ||
| 95 | T | 97.6 | Very high | 98.1 | Very high | 101 Ų | 101 | 66.1 Ų | 66.1 | 62% | 0.62 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -77.1 | 4.4 | -174.3 | 48.9 | 0 | 0 | 0 | 0 | 114.1 | F93 | F93-T95 HydrophobicContact CD1-CG2 4.48Å; F93-T95 HydrophobicContact CE1-CG2 4.35Å |
| 96 | D | 98.3 | Very high | 98.1 | Very high | 32 Ų | 32 | 58.4 Ų | 58.4 | 17% | 0.171 | 33% | 0.331 | C | S | . | . | trans | -143.9 | 172.7 | 171.3 | -142 | -47.6 | 0 | 0 | 0 | 109.6 | K70 L94 V102 E118 H123 | K70-D96 IonicContact NZ-OD2 2.71Å; K70-D96 PolarHBondContact NZ-OD2 2.73Å; L94-D96 PolarHBondContact O-N 2.95Å; L94-D96 VanDerWaalsContact O-N 3.16Å; D96-V102 HydrophobicContact CB-CG2 3.96Å; D96-E118 PolarHBondContact O-N 3.38Å; D96-H123 IonicContact OD1-CD2 3.48Å; D96-H123 IonicContact OD1-CE1 3.81Å; D96-H123 PolarHBondContact OD1-CE1 2.87Å; D96-H123 IonicContact OD1-NE2 2.72Å; D96-H123 PolarHBondContact OD1-NE2 3.42Å; D96-H123 IonicContact OD2-NE2 3.53Å | ||
| 97 | C | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -111.9 | -10.5 | 175.3 | 61 | 0 | 0 | 0 | 0 | 114.4 | L117 E118 L120 H123 | C97-L117 HydrophobicContact CB-CB 3.86Å; C97-L117 HydrophobicContact CB-CD1 3.98Å; C97-E118 WeakPolarHBondContact CB-O 3.31Å; C97-L120 HydrophobicContact CB-CD2 4.01Å; C97-H123 PolarHBondContact SG-CD2 2.95Å |
| 98 | V | 98.4 | Very high | 98.1 | Very high | 20 Ų | 20 | 66.2 Ų | 66.2 | 12% | 0.121 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -143.4 | 171 | -179.2 | -69.3 | 0 | 0 | 0 | 0 | 110.7 | F148 S151 L152 | V98-F148 HydrophobicContact CB-CD2 4.25Å; V98-F148 HydrophobicContact CB-CE2 4.32Å; V98-F148 HydrophobicContact CG1-CD2 3.58Å; V98-F148 HydrophobicContact CG1-CE2 3.5Å; V98-F148 HydrophobicContact CG1-CG 4.24Å; V98-F148 HydrophobicContact CG1-CZ 4.15Å; V98-F148 HydrophobicContact CG2-CD2 3.78Å; V98-F148 HydrophobicContact CG2-CE2 3.83Å; V98-S151 WeakPolarHBondContact CB-OG 3.35Å; V98-L152 HydrophobicContact CG1-CD2 3.77Å; V98-L152 HydrophobicContact CG1-CG 3.97Å |
| 99 | G | 97.8 | Very high | 98.1 | Very high | 21 Ų | 21 | 63.6 Ų | 63.6 | 22% | 0.216 | 34% | 0.338 | C | S | . | . | S | Bend | trans | 95.5 | 173.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | E101 V102 E103 S151 | G99-E101 VanDerWaalsContact C-N 3.33Å; G99-E101 PolarHBondContact O-N 3.42Å; G99-V102 PolarHBondContact O-N 3.45Å; G99-V102 VanDerWaalsContact O-N 3.11Å; G99-E103 VanDerWaalsContact O-CG 3.3Å; G99-E103 WeakPolarHBondContact O-CG 3.37Å; G99-E103 PolarHBondContact O-N 2.89Å; G99-S151 PolarHBondContact N-OG 3.33Å |
| 100 | P | 97.9 | Very high | 98.1 | Very high | 109 Ų | 109 | 61.8 Ų | 61.8 | 71% | 0.708 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -58.4 | -37.9 | -164 | -27.5 | 35.5 | 0 | 0 | 0 | 114.9 | E104 | P100-E104 WeakPolarHBondContact O-CB 3.35Å; P100-E104 PolarHBondContact O-N 2.9Å |
| 101 | E | 98.1 | Very high | 98.1 | Very high | 164 Ų | 164 | 61.2 Ų | 61.2 | 77% | 0.766 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -67.4 | -41.7 | 179.7 | -65.2 | -178.1 | 178.7 | 0 | 0 | 112.1 | G99 A105 | G99-E101 VanDerWaalsContact C-N 3.33Å; G99-E101 PolarHBondContact O-N 3.42Å; E101-A105 VanDerWaalsContact O-CB 3.32Å; E101-A105 WeakPolarHBondContact O-CB 3.48Å; E101-A105 PolarHBondContact O-N 3.32Å; E101-A105 VanDerWaalsContact O-N 3.08Å |
| 102 | V | 98.7 | Very high | 98 | Very high | 6 Ų | 6 | 62.5 Ų | 62.5 | 4% | 0.036 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -68 | -45.9 | 177.1 | 176.8 | 0 | 0 | 0 | 0 | 110.1 | L94 D96 G99 E104 A105 C106 L117 L155 | L94-V102 HydrophobicContact CB-CG2 4.49Å; L94-V102 HydrophobicContact CD1-CB 4.4Å; L94-V102 HydrophobicContact CD1-CG1 3.92Å; L94-V102 HydrophobicContact CD1-CG2 4.41Å; D96-V102 HydrophobicContact CB-CG2 3.96Å; G99-V102 PolarHBondContact O-N 3.45Å; G99-V102 VanDerWaalsContact O-N 3.11Å; V102-E104 PolarHBondContact O-N 3.22Å; V102-A105 PolarHBondContact O-N 3.21Å; V102-C106 WeakPolarHBondContact O-CB 3.3Å; V102-C106 PolarHBondContact O-N 3.27Å; V102-C106 PolarHBondContact O-SG 2.97Å; V102-C106 VanDerWaalsContact O-SG 3.36Å; V102-L117 HydrophobicContact CG1-CD2 3.74Å; V102-L155 HydrophobicContact CG1-CD1 4.2Å; V102-L155 HydrophobicContact CG1-CD2 3.9Å |
| 103 | E | 98.6 | Very high | 98 | Very high | 71 Ų | 71 | 57.7 Ų | 57.7 | 33% | 0.332 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -59.7 | -46.7 | 178.8 | -69.1 | 173.4 | -170.5 | 0 | 0 | 111.9 | G99 C106 K107 S151 L155 | G99-E103 VanDerWaalsContact O-CG 3.3Å; G99-E103 WeakPolarHBondContact O-CG 3.37Å; G99-E103 PolarHBondContact O-N 2.89Å; E103-C106 CarbonylContact O-C 3.6Å; E103-C106 PolarHBondContact O-N 2.76Å; E103-K107 WeakPolarHBondContact O-CB 3.3Å; E103-K107 PolarHBondContact O-N 3.37Å; E103-S151 WeakPolarHBondContact OE1-CA 3.13Å; E103-S151 VanDerWaalsContact OE1-CB 3.25Å; E103-S151 WeakPolarHBondContact OE1-CB 3.15Å; E103-S151 PolarHBondContact OE1-OG 3.35Å; E103-L155 HydrophobicContact CG-CD2 4.15Å |
| 104 | E | 98.4 | Very high | 98 | Very high | 118 Ų | 118 | 56.3 Ų | 56.3 | 55% | 0.551 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -66.6 | -42.1 | 179 | -173.6 | 57.2 | -151.1 | 0 | 0 | 111.7 | P100 V102 C106 K107 | P100-E104 WeakPolarHBondContact O-CB 3.35Å; P100-E104 PolarHBondContact O-N 2.9Å; V102-E104 PolarHBondContact O-N 3.22Å; E104-C106 VanDerWaalsContact C-N 3.25Å; E104-C106 PolarHBondContact O-N 2.64Å; E104-K107 WeakPolarHBondContact O-CB 3.35Å; E104-K107 PolarHBondContact O-N 3.48Å; E104-K107 VanDerWaalsContact OE2-CD 3.31Å; E104-K107 WeakPolarHBondContact OE2-CD 3.49Å; E104-K107 IonicContact OE2-NZ 2.82Å; E104-K107 PolarHBondContact OE2-NZ 3.14Å |
| 105 | A | 98.3 | Very high | 98 | Very high | 36 Ų | 36 | 55.2 Ų | 55.2 | 30% | 0.298 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -59.1 | -36.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L94 E101 V102 F115 | L94-A105 HydrophobicContact CD1-CB 4.15Å; L94-A105 HydrophobicContact CD2-CB 4.27Å; E101-A105 VanDerWaalsContact O-CB 3.32Å; E101-A105 WeakPolarHBondContact O-CB 3.48Å; E101-A105 PolarHBondContact O-N 3.32Å; E101-A105 VanDerWaalsContact O-N 3.08Å; V102-A105 PolarHBondContact O-N 3.21Å; A105-F115 HydrophobicContact CB-CE1 4.33Å; A105-F115 HydrophobicContact CB-CZ 4.5Å; A105-F115 VanDerWaalsContact O-CZ 3.24Å; A105-F115 WeakPolarHBondContact O-CZ 3.35Å |
| 106 | C | 98.2 | Very high | 98.1 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -89.8 | -7.5 | -179.5 | -63.7 | 0 | 0 | 0 | 0 | 114.1 | R17 V58 V102 E103 E104 P109 L155 | R17-C106 VanDerWaalsContact CD-O 3.28Å; R17-C106 WeakPolarHBondContact CD-O 3.36Å; R17-C106 PolarHBondContact NH1-O 3.34Å; V58-C106 HydrophobicContact CG2-CB 4.08Å; V58-C106 VanDerWaalsContact CG2-SG 3.6Å; V102-C106 WeakPolarHBondContact O-CB 3.3Å; V102-C106 PolarHBondContact O-N 3.27Å; V102-C106 PolarHBondContact O-SG 2.97Å; V102-C106 VanDerWaalsContact O-SG 3.36Å; E103-C106 CarbonylContact O-C 3.6Å; E103-C106 PolarHBondContact O-N 2.76Å; E104-C106 VanDerWaalsContact C-N 3.25Å; E104-C106 PolarHBondContact O-N 2.64Å; C106-P109 WeakPolarHBondContact O-CD 3.5Å; C106-L155 HydrophobicContact CB-CB 4.47Å; C106-L155 HydrophobicContact CB-CD2 4.1Å |
| 107 | K | 97.9 | Very high | 98.1 | Very high | 126 Ų | 126 | 48.9 Ų | 48.9 | 55% | 0.548 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -65.9 | -50.3 | -175 | -172.5 | 177.7 | -179.8 | -178.3 | 0 | 113.2 | E103 E104 | E103-K107 WeakPolarHBondContact O-CB 3.3Å; E103-K107 PolarHBondContact O-N 3.37Å; E104-K107 WeakPolarHBondContact O-CB 3.35Å; E104-K107 PolarHBondContact O-N 3.48Å; E104-K107 VanDerWaalsContact OE2-CD 3.31Å; E104-K107 WeakPolarHBondContact OE2-CD 3.49Å; E104-K107 IonicContact OE2-NZ 2.82Å; E104-K107 PolarHBondContact OE2-NZ 3.14Å |
| 108 | N | 96.9 | Very high | 98.1 | Very high | 121 Ų | 121 | 49.5 Ų | 49.5 | 65% | 0.647 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -145.4 | 59.3 | -178.6 | -170.5 | 32.3 | 0 | 0 | 0 | 112.8 | K55 | K55-N108 PolarHBondContact NZ-OD1 2.64Š|
| 109 | P | 97.1 | Very high | 98.2 | Very high | 13 Ų | 13 | 48.6 Ų | 48.6 | 8% | 0.084 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -68.9 | 160 | 178.6 | 32.7 | -39 | 0 | 0 | 0 | 111.8 | K55 S56 C106 T113 F115 | K55-P109 VanDerWaalsContact CE-O 3.23Å; K55-P109 WeakPolarHBondContact CE-O 3.23Å; S56-P109 VanDerWaalsContact CB-CG 3.45Å; S56-P109 VanDerWaalsContact OG-CG 3.29Å; S56-P109 WeakPolarHBondContact OG-CG 3.33Å; C106-P109 WeakPolarHBondContact O-CD 3.5Å; P109-T113 HydrophobicContact CB-CG2 4.08Å; P109-F115 HydrophobicContact CB-CE2 3.69Å; P109-F115 HydrophobicContact CB-CZ 3.92Å; P109-F115 HydrophobicContact CG-CE2 3.97Å |
| 110 | A | 97.5 | Very high | 98.2 | Very high | 69 Ų | 69 | 47.6 Ų | 47.6 | 57% | 0.57 | 28% | 0.28 | S | S | * | . | P | Polyproline II helix | trans | -59.4 | 148.1 | 171 | 0 | 0 | 0 | 0 | 0 | 111.1 | G112 T113 | A110-G112 PolarHBondContact O-N 3.14Å; A110-T113 VanDerWaalsContact O-CB 3.26Å; A110-T113 WeakPolarHBondContact O-CB 3.39Å; A110-T113 PolarHBondContact O-N 3.34Å; A110-T113 VanDerWaalsContact O-N 3.11Å; A110-T113 PolarHBondContact O-OG1 3.29Å |
| 111 | A | 97.6 | Very high | 98.2 | Very high | 90 Ų | 90 | 42.7 Ų | 42.7 | 74% | 0.744 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | 137.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | K55 T113 | K55-A111 CarbonylContact O-C 3.42Å; K55-A111 VanDerWaalsContact O-CA 3.28Å; K55-A111 WeakPolarHBondContact O-CA 3.13Å; A111-T113 VanDerWaalsContact C-N 3.3Å |
| 112 | G | 97.1 | Very high | 98.3 | Very high | 41 Ų | 41 | 35.6 Ų | 35.6 | 42% | 0.423 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.9 | 4.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115 | K55 A110 | K55-G112 PolarHBondContact O-N 3.42Å; A110-G112 PolarHBondContact O-N 3.14Å |
| 113 | T | 98.5 | Very high | 98.2 | Very high | 13 Ų | 13 | 37 Ų | 37 | 8% | 0.08 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 135 | 176.8 | -60.1 | 0 | 0 | 0 | 0 | 110.8 | S56 L57 K92 P109 A110 A111 F115 | S56-T113 CarbonylContact C-O 3.53Å; S56-T113 WeakPolarHBondContact CA-O 3.45Å; S56-T113 VanDerWaalsContact CB-O 3.31Å; S56-T113 WeakPolarHBondContact CB-O 3.47Å; L57-T113 PolarHBondContact N-O 3.16Å; K92-T113 HydrophobicContact CD-CG2 3.86Å; P109-T113 HydrophobicContact CB-CG2 4.08Å; A110-T113 VanDerWaalsContact O-CB 3.26Å; A110-T113 WeakPolarHBondContact O-CB 3.39Å; A110-T113 PolarHBondContact O-N 3.34Å; A110-T113 VanDerWaalsContact O-N 3.11Å; A110-T113 PolarHBondContact O-OG1 3.29Å; A111-T113 VanDerWaalsContact C-N 3.3Å; T113-F115 HydrophobicContact CG2-CD1 4.46Å; T113-F115 HydrophobicContact CG2-CD2 3.9Å; T113-F115 HydrophobicContact CG2-CE1 4.01Å; T113-F115 HydrophobicContact CG2-CE2 3.39Å; T113-F115 HydrophobicContact CG2-CG 4.42Å; T113-F115 HydrophobicContact CG2-CZ 3.46Å; T113-F115 VanDerWaalsContact CG2-CZ 3.46Å |
| 114 | I | 98.8 | Very high | 98.2 | Very high | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 120.3 | 176.1 | -51.6 | 176.9 | 0 | 0 | 0 | 107.9 | L50 L57 L59 L87 K89 V91 K92 | L50-I114 HydrophobicContact CD1-CD1 3.8Å; L50-I114 HydrophobicContact CD2-CD1 4.45Å; L50-I114 HydrophobicContact CD2-CG1 4.36Å; L57-I114 HydrophobicContact CB-CG2 4.32Å; L57-I114 WeakPolarHBondContact O-CA 3.33Å; L59-I114 HydrophobicContact CD1-CG2 4.05Å; L59-I114 HydrophobicContact CG-CG2 4.36Å; L87-I114 HydrophobicContact CD2-CD1 3.26Å; K89-I114 HydrophobicContact CB-CD1 4.33Å; K89-I114 HydrophobicContact CD-CD1 4.39Å; V91-I114 HydrophobicContact CG1-CG2 4.49Å; V91-I114 HydrophobicContact CG2-CG2 4.29Å; K92-I114 PolarHBondContact N-O 3.01Å |
| 115 | F | 98.9 | Very high | 98.2 | Very high | 7 Ų | 7 | 30.8 Ų | 30.8 | 3% | 0.031 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 142.4 | 171.8 | -61.1 | -81.3 | 0 | 0 | 0 | 110.5 | L57 V58 L59 K92 L94 A105 P109 T113 | L57-F115 PolarHBondContact O-N 3.28Å; V58-F115 HydrophobicContact CG2-CD2 4.09Å; L59-F115 WeakPolarHBondContact CB-O 3.4Å; L59-F115 WeakPolarHBondContact CG-O 3.32Å; L59-F115 PolarHBondContact N-O 3.28Å; K92-F115 HydrophobicContact CB-CD1 3.65Å; K92-F115 HydrophobicContact CB-CE1 3.95Å; K92-F115 HydrophobicContact CD-CD1 4.36Å; K92-F115 HydrophobicContact CD-CE1 3.81Å; K92-F115 HydrophobicContact CD-CZ 4.41Å; K92-F115 CarbonylContact O-C 3.55Å; K92-F115 VanDerWaalsContact O-CA 3.22Å; K92-F115 WeakPolarHBondContact O-CA 3.48Å; L94-F115 HydrophobicContact CD1-CB 4.46Å; L94-F115 HydrophobicContact CD1-CD1 3.85Å; L94-F115 HydrophobicContact CD1-CE1 4.39Å; L94-F115 HydrophobicContact CD1-CG 4.32Å; L94-F115 HydrophobicContact CD2-CD1 3.94Å; L94-F115 HydrophobicContact CD2-CE1 4.18Å; L94-F115 HydrophobicContact CG-CD1 3.86Å; A105-F115 HydrophobicContact CB-CE1 4.33Å; A105-F115 HydrophobicContact CB-CZ 4.5Å; A105-F115 VanDerWaalsContact O-CZ 3.24Å; A105-F115 WeakPolarHBondContact O-CZ 3.35Å; P109-F115 HydrophobicContact CB-CE2 3.69Å; P109-F115 HydrophobicContact CB-CZ 3.92Å; P109-F115 HydrophobicContact CG-CE2 3.97Å; T113-F115 HydrophobicContact CG2-CD1 4.46Å; T113-F115 HydrophobicContact CG2-CD2 3.9Å; T113-F115 HydrophobicContact CG2-CE1 4.01Å; T113-F115 HydrophobicContact CG2-CE2 3.39Å; T113-F115 HydrophobicContact CG2-CG 4.42Å; T113-F115 HydrophobicContact CG2-CZ 3.46Å; T113-F115 VanDerWaalsContact CG2-CZ 3.46Å |
| 116 | L | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 120.1 | 158.1 | 179.5 | 61.4 | 0 | 0 | 0 | 107.7 | Y24 L59 L76 V79 A80 V91 K92 F93 L94 | Y24-L116 HydrophobicContact CD2-CD1 4.11Å; Y24-L116 HydrophobicContact CE2-CD1 4.12Å; L59-L116 HydrophobicContact CB-CD1 3.88Å; L76-L116 HydrophobicContact CB-CD2 4.28Å; V79-L116 HydrophobicContact CB-CD2 4.2Å; V79-L116 HydrophobicContact CG1-CD2 3.97Å; A80-L116 HydrophobicContact CB-CB 4.45Å; A80-L116 HydrophobicContact CB-CD2 3.8Å; V91-L116 HydrophobicContact CG1-CB 3.91Å; K92-L116 PolarHBondContact O-N 2.89Å; F93-L116 WeakPolarHBondContact CA-O 3.37Å; F93-L116 HydrophobicContact CD2-CB 4.37Å; F93-L116 HydrophobicContact CD2-CG 4.34Å; F93-L116 WeakPolarHBondContact CD2-O 3.41Å; L94-L116 PolarHBondContact N-O 3.29Å |
| 117 | L | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | trans | -73 | 156.9 | 174.7 | -56.8 | -172.1 | 0 | 0 | 0 | 111 | V58 L59 M60 L76 L94 C97 V102 L155 | V58-L117 HydrophobicContact CG1-CD1 3.87Å; V58-L117 HydrophobicContact CG1-CD2 3.8Å; V58-L117 HydrophobicContact CG1-CG 3.82Å; L59-L117 WeakPolarHBondContact O-CG 3.31Å; L59-L117 PolarHBondContact O-N 2.72Å; M60-L117 HydrophobicContact CB-CB 4.43Å; M60-L117 HydrophobicContact CB-CD1 3.84Å; M60-L117 HydrophobicContact CB-CG 4.34Å; L76-L117 WeakPolarHBondContact CD1-O 3.44Å; L94-L117 HydrophobicContact CB-CD2 4.25Å; L94-L117 HydrophobicContact CD1-CD2 3.76Å; L94-L117 HydrophobicContact CG-CD2 4.37Å; C97-L117 HydrophobicContact CB-CB 3.86Å; C97-L117 HydrophobicContact CB-CD1 3.98Å; V102-L117 HydrophobicContact CG1-CD2 3.74Å; L117-L155 HydrophobicContact CD1-CD1 3.6Å | ||
| 118 | E | 98.7 | Very high | 98.2 | Very high | 14 Ų | 14 | 26.3 Ų | 26.3 | 7% | 0.065 | 18% | 0.176 | C | C | . | . | trans | -66.5 | 164 | 168.8 | -175 | 55.3 | -70 | 0 | 0 | 111.2 | T75 L76 F93 L94 D96 C97 L120 F122 | T75-E118 WeakPolarHBondContact CA-OE1 3.49Å; T75-E118 WeakPolarHBondContact CB-OE2 3.41Å; T75-E118 PolarHBondContact OG1-OE1 2.99Å; T75-E118 PolarHBondContact OG1-OE2 2.71Å; L76-E118 PolarHBondContact N-OE1 2.86Å; F93-E118 HydrophobicContact CZ-CB 4.07Å; F93-E118 HydrophobicContact CZ-CG 4.35Å; F93-E118 WeakPolarHBondContact CZ-OE2 3.26Å; L94-E118 WeakPolarHBondContact O-CB 3.49Å; L94-E118 PolarHBondContact O-N 2.79Å; D96-E118 PolarHBondContact O-N 3.38Å; C97-E118 WeakPolarHBondContact CB-O 3.31Å; E118-L120 PolarHBondContact O-N 3.21Å; E118-L120 VanDerWaalsContact O-N 3.15Å; E118-F122 VanDerWaalsContact CD-CE2 3.44Å; E118-F122 HydrophobicContact CG-CD2 3.52Å; E118-F122 HydrophobicContact CG-CE2 3.53Å | ||
| 119 | N | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 17% | 0.173 | C | C | . | . | trans | -49.9 | 114.8 | -177.4 | -171.8 | -10.7 | 0 | 0 | 0 | 112.8 | H62 L63 Y74 L76 R121 F122 | H62-N119 VanDerWaalsContact CA-OD1 3.25Å; H62-N119 WeakPolarHBondContact CA-OD1 3.28Å; L63-N119 PolarHBondContact N-ND2 3.41Å; L63-N119 PolarHBondContact N-OD1 3.47Å; L63-N119 PolarHBondContact O-ND2 3.34Å; Y74-N119 PolarHBondContact O-ND2 3.03Å; L76-N119 HydrophobicContact CD1-CB 4.44Å; L76-N119 HydrophobicContact CG-CB 4.34Å; N119-R121 PolarHBondContact O-N 3.34Å; N119-R121 VanDerWaalsContact O-N 3.09Å; N119-R121 PolarHBondContact OD1-N 3.39Å; N119-F122 HydrophobicContact CB-CD1 3.95Å; N119-F122 HydrophobicContact CB-CD2 4.07Å; N119-F122 HydrophobicContact CB-CE1 3.92Å; N119-F122 HydrophobicContact CB-CE2 4.04Å; N119-F122 HydrophobicContact CB-CG 4.03Å; N119-F122 HydrophobicContact CB-CZ 3.97Å; N119-F122 WeakPolarHBondContact O-CB 3.39Å; N119-F122 PolarHBondContact O-N 3.14Å | ||
| 120 | L | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 17% | 0.173 | C | C | . | . | G | 310 helix | trans | -53.2 | -33.9 | 178 | -70.3 | 163.2 | 0 | 0 | 0 | 112.8 | M60 S61 C97 E118 F122 H123 E126 F148 L152 S173 | M60-L120 HydrophobicContact CB-CD1 4.13Å; M60-L120 HydrophobicContact CB-CD2 4.31Å; M60-L120 HydrophobicContact CB-CG 4.38Å; M60-L120 HydrophobicContact CG-CD1 4.27Å; M60-L120 HydrophobicContact SD-CD1 4.47Å; M60-L120 HydrophobicContact SD-CD2 4.29Å; S61-L120 WeakPolarHBondContact O-CD1 3.11Å; S61-L120 VanDerWaalsContact O-CG 3.27Å; S61-L120 WeakPolarHBondContact O-CG 3.36Å; S61-L120 PolarHBondContact O-N 3.43Å; C97-L120 HydrophobicContact CB-CD2 4.01Å; E118-L120 PolarHBondContact O-N 3.21Å; E118-L120 VanDerWaalsContact O-N 3.15Å; L120-F122 PolarHBondContact O-N 2.75Å; L120-H123 PolarHBondContact O-N 2.84Å; L120-E126 HydrophobicContact CB-CB 4.32Å; L120-E126 HydrophobicContact CB-CG 3.82Å; L120-E126 VanDerWaalsContact O-CB 3.27Å; L120-E126 WeakPolarHBondContact O-CB 3.35Å; L120-F148 HydrophobicContact CD2-CZ 4.09Å; L120-L152 HydrophobicContact CD2-CD1 4.24Å; L120-L152 HydrophobicContact CD2-CD2 4.01Å; L120-S173 VanDerWaalsContact CD1-CB 3.46Å; L120-S173 WeakPolarHBondContact CD1-OG 3.38Å |
| 121 | R | 98.5 | Very high | 98 | Very high | 6 Ų | 6 | 25.1 Ų | 25.1 | 2% | 0.023 | 16% | 0.156 | C | C | . | . | G | 310 helix | trans | -78.2 | -1.4 | -177.1 | -64.9 | -176.3 | -170.9 | -167 | 4.2 | 114.2 | H62 G64 P66 G68 N119 H123 E126 E127 | H62-R121 HydrophobicContact CB-CG 3.71Å; H62-R121 PolarHBondContact CD2-NE 3.41Å; H62-R121 PolarHBondContact CD2-NH2 2.83Å; H62-R121 PolarHBondContact NE2-NH2 2.91Å; G64-R121 PolarHBondContact O-NH1 3.47Å; P66-R121 HydrophobicContact CG-CB 3.5Å; P66-R121 WeakPolarHBondContact CG-O 3.46Å; G68-R121 WeakPolarHBondContact CA-O 3.1Å; G68-R121 PolarHBondContact N-O 2.98Å; G68-R121 VanDerWaalsContact N-O 3.11Å; N119-R121 PolarHBondContact O-N 3.34Å; N119-R121 VanDerWaalsContact O-N 3.09Å; N119-R121 PolarHBondContact OD1-N 3.39Å; R121-H123 PolarHBondContact O-N 3.05Å; R121-E126 HydrophobicContact CG-CG 4.08Å; R121-E127 HydrophobicContact CG-CG 4.11Å; R121-E127 IonicContact CZ-OE1 2.83Å; R121-E127 IonicContact NE-OE1 2.64Å; R121-E127 PolarHBondContact NE-OE1 3.43Å; R121-E127 IonicContact NH1-OE1 3.95Å; R121-E127 PolarHBondContact NH1-OE1 2.96Å; R121-E127 VanDerWaalsContact NH1-OE1 3.11Å; R121-E127 IonicContact NH2-OE1 3.17Å |
| 122 | F | 98.4 | Very high | 97.8 | Very high | 15 Ų | 15 | 22.8 Ų | 22.8 | 7% | 0.066 | 13% | 0.131 | C | C | . | . | G | 310 helix | trans | -68 | -11.3 | 164.8 | -69.4 | -7.2 | 0 | 0 | 0 | 112.5 | P66 G68 H69 K70 E71 E118 N119 L120 | P66-F122 HydrophobicContact CB-CD1 3.74Å; P66-F122 HydrophobicContact CB-CE1 3.85Å; P66-F122 HydrophobicContact CG-CD1 3.72Å; P66-F122 HydrophobicContact CG-CE1 4.02Å; G68-F122 CarbonylContact C-O 3.56Å; H69-F122 WeakPolarHBondContact O-CD1 3.48Å; H69-F122 WeakPolarHBondContact O-CE1 3.43Å; K70-F122 HydrophobicContact CB-CD2 4.16Å; K70-F122 HydrophobicContact CB-CE2 4.4Å; K70-F122 HydrophobicContact CB-CG 4.44Å; K70-F122 HydrophobicContact CG-CB 3.98Å; K70-F122 HydrophobicContact CG-CD2 3.73Å; K70-F122 HydrophobicContact CG-CE2 4.41Å; K70-F122 HydrophobicContact CG-CG 3.99Å; E71-F122 WeakPolarHBondContact O-CZ 3.47Å; E118-F122 VanDerWaalsContact CD-CE2 3.44Å; E118-F122 HydrophobicContact CG-CD2 3.52Å; E118-F122 HydrophobicContact CG-CE2 3.53Å; N119-F122 HydrophobicContact CB-CD1 3.95Å; N119-F122 HydrophobicContact CB-CD2 4.07Å; N119-F122 HydrophobicContact CB-CE1 3.92Å; N119-F122 HydrophobicContact CB-CE2 4.04Å; N119-F122 HydrophobicContact CB-CG 4.03Å; N119-F122 HydrophobicContact CB-CZ 3.97Å; N119-F122 WeakPolarHBondContact O-CB 3.39Å; N119-F122 PolarHBondContact O-N 3.14Å; L120-F122 PolarHBondContact O-N 2.75Å |
| 123 | H | 98.3 | Very high | 97.5 | Very high | 36 Ų | 36 | 25.6 Ų | 25.6 | 17% | 0.167 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -111.2 | 126.2 | 173.6 | -66.4 | -91.4 | 0 | 0 | 0 | 109.2 | D96 C97 L120 R121 E125 E126 F148 | D96-H123 IonicContact OD1-CD2 3.48Å; D96-H123 IonicContact OD1-CE1 3.81Å; D96-H123 PolarHBondContact OD1-CE1 2.87Å; D96-H123 IonicContact OD1-NE2 2.72Å; D96-H123 PolarHBondContact OD1-NE2 3.42Å; D96-H123 IonicContact OD2-NE2 3.53Å; C97-H123 PolarHBondContact SG-CD2 2.95Å; L120-H123 PolarHBondContact O-N 2.84Å; R121-H123 PolarHBondContact O-N 3.05Å; H123-E125 WeakPolarHBondContact CB-OE2 3.33Å; H123-E125 PolarHBondContact O-N 3.5Å; H123-E126 WeakPolarHBondContact O-CB 3.43Å; H123-E126 PolarHBondContact O-N 3.16Å; H123-E126 VanDerWaalsContact O-N 3.12Å; H123-F148 HydrophobicContact CB-CD2 3.97Å; H123-F148 HydrophobicContact CB-CE2 3.46Å; H123-F148 VanDerWaalsContact CB-CE2 3.46Å; H123-F148 HydrophobicContact CB-CZ 4.15Å; H123-F148 AromaticContact CD2-CE2 3.94Å; H123-F148 AromaticContact CG-CE2 3.62Å |
| 124 | V | 97.8 | Very high | 97.2 | Very high | 23 Ų | 23 | 31.4 Ų | 31.4 | 14% | 0.139 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62 | -23.5 | 178.4 | -67 | 0 | 0 | 0 | 0 | 112 | E126 E127 G128 K129 I138 A140 | V124-E126 PolarHBondContact O-N 2.96Å; V124-E127 PolarHBondContact O-N 3.3Å; V124-G128 CarbonylContact O-C 3.51Å; V124-G128 VanDerWaalsContact O-CA 3.26Å; V124-G128 WeakPolarHBondContact O-CA 3.3Å; V124-G128 PolarHBondContact O-N 2.84Å; V124-K129 PolarHBondContact O-N 3.37Å; V124-I138 HydrophobicContact CG1-CD1 4Å; V124-I138 HydrophobicContact CG1-CG1 4.47Å; V124-A140 HydrophobicContact CB-CB 4.42Å; V124-A140 HydrophobicContact CG2-CB 3.95Å |
| 125 | E | 98.4 | Very high | 96.9 | Very high | 36 Ų | 36 | 33.9 Ų | 33.9 | 17% | 0.168 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.3 | -21.8 | 177.7 | -62.8 | 74.7 | -164.4 | 0 | 0 | 112.8 | H123 A140 D144 V145 F148 S172 | H123-E125 WeakPolarHBondContact CB-OE2 3.33Å; H123-E125 PolarHBondContact O-N 3.5Å; E125-A140 HydrophobicContact CG-CB 4.28Å; E125-D144 HydrophobicContact CG-CB 3.92Å; E125-V145 HydrophobicContact CB-CG2 4.23Å; E125-V145 HydrophobicContact CG-CG2 4.38Å; E125-F148 HydrophobicContact CB-CB 3.57Å; E125-F148 HydrophobicContact CB-CD1 3.97Å; E125-F148 HydrophobicContact CB-CD2 3.95Å; E125-F148 HydrophobicContact CB-CG 3.57Å; E125-F148 HydrophobicContact CG-CB 3.99Å; E125-F148 HydrophobicContact CG-CG 4.4Å; E125-S172 WeakPolarHBondContact O-CB 3.26Å; E125-S172 PolarHBondContact O-OG 3.36Å |
| 126 | E | 98.6 | Very high | 96.8 | Very high | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67.3 | -51.2 | 175.3 | 168.8 | 61.2 | -175.8 | 0 | 0 | 111.4 | L120 R121 H123 V124 F148 H171 S172 S173 | L120-E126 HydrophobicContact CB-CB 4.32Å; L120-E126 HydrophobicContact CB-CG 3.82Å; L120-E126 VanDerWaalsContact O-CB 3.27Å; L120-E126 WeakPolarHBondContact O-CB 3.35Å; R121-E126 HydrophobicContact CG-CG 4.08Å; H123-E126 WeakPolarHBondContact O-CB 3.43Å; H123-E126 PolarHBondContact O-N 3.16Å; H123-E126 VanDerWaalsContact O-N 3.12Å; V124-E126 PolarHBondContact O-N 2.96Å; E126-F148 HydrophobicContact CB-CE1 4.2Å; E126-F148 HydrophobicContact CB-CZ 4.21Å; E126-H171 HydrophobicContact CG-CB 4.49Å; E126-H171 CarbonylContact O-C 3.47Å; E126-H171 VanDerWaalsContact O-CA 3.24Å; E126-H171 WeakPolarHBondContact O-CA 3.5Å; E126-H171 WeakPolarHBondContact O-CB 3.45Å; E126-H171 WeakPolarHBondContact OE1-CB 3.19Å; E126-H171 IonicContact OE1-CG 3.41Å; E126-H171 IonicContact OE1-ND1 3.41Å; E126-H171 PolarHBondContact OE1-ND1 3.41Å; E126-S172 PolarHBondContact O-N 3.41Å; E126-S173 VanDerWaalsContact CD-OG 3.3Å; E126-S173 PolarHBondContact OE1-OG 3.14Å; E126-S173 VanDerWaalsContact OE2-CB 3.25Å; E126-S173 WeakPolarHBondContact OE2-CB 3.43Å; E126-S173 PolarHBondContact OE2-N 2.97Å; E126-S173 PolarHBondContact OE2-OG 2.95Å |
| 127 | E | 97.6 | Very high | 96.7 | Very high | 37 Ų | 37 | 49 Ų | 49 | 17% | 0.173 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -96 | -5.9 | -178.5 | -56 | -166.2 | 114.2 | 0 | 0 | 112.7 | R121 V124 K129 R169 H171 | R121-E127 HydrophobicContact CG-CG 4.11Å; R121-E127 IonicContact CZ-OE1 2.83Å; R121-E127 IonicContact NE-OE1 2.64Å; R121-E127 PolarHBondContact NE-OE1 3.43Å; R121-E127 IonicContact NH1-OE1 3.95Å; R121-E127 PolarHBondContact NH1-OE1 2.96Å; R121-E127 VanDerWaalsContact NH1-OE1 3.11Å; R121-E127 IonicContact NH2-OE1 3.17Å; V124-E127 PolarHBondContact O-N 3.3Å; E127-K129 HydrophobicContact CB-CG 4.44Å; E127-K129 PolarHBondContact O-N 3.01Å; E127-R169 IonicContact OE1-NH1 3.84Å; E127-R169 PolarHBondContact OE1-NH1 3.36Å; E127-H171 IonicContact OE1-CE1 2.74Å; E127-H171 PolarHBondContact OE1-CE1 2.98Å; E127-H171 IonicContact OE1-NE2 2.68Å |
| 128 | G | 97.3 | Very high | 96.6 | Very high | 30 Ų | 30 | 52 Ų | 52 | 31% | 0.309 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.8 | 3.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | V124 K139 A140 | V124-G128 CarbonylContact O-C 3.51Å; V124-G128 VanDerWaalsContact O-CA 3.26Å; V124-G128 WeakPolarHBondContact O-CA 3.3Å; V124-G128 PolarHBondContact O-N 2.84Å; G128-K139 WeakPolarHBondContact O-CA 3.23Å; G128-A140 PolarHBondContact O-N 2.9Å |
| 129 | K | 96.3 | Very high | 96.5 | Very high | 135 Ų | 135 | 60.4 Ų | 60.4 | 59% | 0.587 | 33% | 0.326 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 158.2 | -176.4 | 65.9 | -175.5 | 178.5 | -176.6 | 0 | 110.3 | V124 E127 I138 | V124-K129 PolarHBondContact O-N 3.37Å; E127-K129 HydrophobicContact CB-CG 4.44Å; E127-K129 PolarHBondContact O-N 3.01Å; K129-I138 VanDerWaalsContact CA-O 3.22Å; K129-I138 WeakPolarHBondContact CA-O 3.45Å; K129-I138 WeakPolarHBondContact CB-O 3.28Å |
| 130 | G | 95.8 | Very high | 96.4 | Very high | 8 Ų | 8 | 61.3 Ų | 61.3 | 8% | 0.082 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.9 | -155.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | D67 K137 I138 | D67-G130 CarbonylContact O-C 3.57Å; D67-G130 WeakPolarHBondContact O-CA 3.47Å; G130-K137 WeakPolarHBondContact O-CA 3.47Å; G130-I138 PolarHBondContact N-O 3.39Å; G130-I138 PolarHBondContact O-N 3.44Å |
| 131 | V | 95.7 | Very high | 96.3 | Very high | 34 Ų | 34 | 62.8 Ų | 62.8 | 21% | 0.206 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 153.4 | 168.9 | -59.3 | 0 | 0 | 0 | 0 | 110.6 | D67 H69 Q136 | D67-V131 HydrophobicContact CB-CG1 4.33Å; D67-V131 HydrophobicContact CB-CG2 3.81Å; D67-V131 PolarHBondContact O-N 2.99Å; H69-V131 PolarHBondContact CE1-O 3.38Å; H69-V131 WeakPolarHBondContact NE2-CG2 3.43Å; H69-V131 PolarHBondContact NE2-O 3.45Å; V131-Q136 CarbonylContact C-O 3.55Å; V131-Q136 WeakPolarHBondContact CA-O 3.47Å |
| 132 | D | 93.5 | Very high | 96.2 | Very high | 42 Ų | 42 | 70.2 Ų | 70.2 | 23% | 0.225 | 38% | 0.381 | C | S | . | . | trans | -85.1 | 179.7 | 169.1 | 72.3 | 5.1 | 0 | 0 | 0 | 111.2 | N134 G135 Q136 I138 | D132-N134 PolarHBondContact O-N 3.41Å; D132-N134 VanDerWaalsContact OD1-CA 3.31Å; D132-N134 WeakPolarHBondContact OD1-CA 3.38Å; D132-N134 WeakPolarHBondContact OD1-CB 3.4Å; D132-N134 PolarHBondContact OD1-N 3.03Å; D132-G135 PolarHBondContact O-N 2.97Å; D132-G135 PolarHBondContact OD1-N 2.92Å; D132-Q136 PolarHBondContact N-O 3.3Å; D132-Q136 WeakPolarHBondContact OD1-CB 3.31Å; D132-Q136 PolarHBondContact OD1-N 3.36Å; D132-I138 HydrophobicContact CB-CG2 3.89Å | ||
| 133 | A | 90.5 | Very high | 96.2 | Very high | 99 Ų | 99 | 77 Ų | 77 | 82% | 0.818 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -18.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 134 | N | 92.6 | Very high | 96.2 | Very high | 135 Ų | 135 | 79.2 Ų | 79.2 | 72% | 0.722 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.1 | 3.8 | 177.4 | -57.3 | -52 | 0 | 0 | 0 | 112.4 | D132 Q136 | D132-N134 PolarHBondContact O-N 3.41Å; D132-N134 VanDerWaalsContact OD1-CA 3.31Å; D132-N134 WeakPolarHBondContact OD1-CA 3.38Å; D132-N134 WeakPolarHBondContact OD1-CB 3.4Å; D132-N134 PolarHBondContact OD1-N 3.03Å; N134-Q136 VanDerWaalsContact C-N 3.31Å; N134-Q136 HydrophobicContact CB-CG 4.36Å |
| 135 | G | 92.8 | Very high | 96.2 | Very high | 53 Ų | 53 | 79.4 Ų | 79.4 | 55% | 0.546 | 43% | 0.427 | S | S | . | . | S | Bend | trans | 77.2 | 11.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | D132 | D132-G135 PolarHBondContact O-N 2.97Å; D132-G135 PolarHBondContact OD1-N 2.92Å |
| 136 | Q | 96.1 | Very high | 96.2 | Very high | 126 Ų | 126 | 82.3 Ų | 82.3 | 59% | 0.589 | 44% | 0.441 | S | S | * | . | trans | -81.4 | 139.4 | 177.1 | -58.6 | -170.7 | 1.8 | 0 | 0 | 110.7 | V131 D132 N134 I138 | V131-Q136 CarbonylContact C-O 3.55Å; V131-Q136 WeakPolarHBondContact CA-O 3.47Å; D132-Q136 PolarHBondContact N-O 3.3Å; D132-Q136 WeakPolarHBondContact OD1-CB 3.31Å; D132-Q136 PolarHBondContact OD1-N 3.36Å; N134-Q136 VanDerWaalsContact C-N 3.31Å; N134-Q136 HydrophobicContact CB-CG 4.36Å; Q136-I138 PolarHBondContact O-N 2.95Å | ||
| 137 | K | 97.2 | Very high | 96.2 | Very high | 199 Ų | 199 | 89.7 Ų | 89.7 | 87% | 0.865 | 47% | 0.473 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 125.7 | 178.3 | -69.8 | 178 | -178.9 | 171.4 | 0 | 110.7 | G130 | G130-K137 WeakPolarHBondContact O-CA 3.47Å |
| 138 | I | 96.3 | Very high | 96.3 | Very high | 63 Ų | 63 | 88.3 Ų | 88.3 | 32% | 0.323 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 157.4 | 173.5 | 58.9 | 174.1 | 0 | 0 | 0 | 110.7 | V124 K129 G130 D132 Q136 | V124-I138 HydrophobicContact CG1-CD1 4Å; V124-I138 HydrophobicContact CG1-CG1 4.47Å; K129-I138 VanDerWaalsContact CA-O 3.22Å; K129-I138 WeakPolarHBondContact CA-O 3.45Å; K129-I138 WeakPolarHBondContact CB-O 3.28Å; G130-I138 PolarHBondContact N-O 3.39Å; G130-I138 PolarHBondContact O-N 3.44Å; D132-I138 HydrophobicContact CB-CG2 3.89Å; Q136-I138 PolarHBondContact O-N 2.95Å |
| 139 | K | 97.1 | Very high | 96.3 | Very high | 190 Ų | 190 | 88.7 Ų | 88.7 | 83% | 0.826 | 46% | 0.46 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 138.4 | 171.2 | -70.8 | -175.5 | 178.7 | 179.5 | 0 | 108.4 | G128 | G128-K139 WeakPolarHBondContact O-CA 3.23Å |
| 140 | A | 96.5 | Very high | 96.4 | Very high | 20 Ų | 20 | 90 Ų | 90 | 17% | 0.165 | 47% | 0.466 | C | S | . | . | trans | -67.4 | 142.9 | 175 | 0 | 0 | 0 | 0 | 0 | 110.4 | V124 E125 G128 V145 | V124-A140 HydrophobicContact CB-CB 4.42Å; V124-A140 HydrophobicContact CG2-CB 3.95Å; E125-A140 HydrophobicContact CG-CB 4.28Å; G128-A140 PolarHBondContact O-N 2.9Å; A140-V145 HydrophobicContact CB-CG2 3.61Å | ||
| 141 | G | 96.7 | Very high | 96.6 | Very high | 31 Ų | 31 | 90 Ų | 90 | 32% | 0.32 | 47% | 0.465 | S | S | . | . | trans | -63.2 | 144.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | E143 D144 V145 | G141-E143 VanDerWaalsContact C-N 3.28Å; G141-E143 PolarHBondContact O-N 2.88Å; G141-D144 PolarHBondContact O-N 3.48Å; G141-V145 WeakPolarHBondContact O-CG2 3.2Å; G141-V145 PolarHBondContact O-N 2.92Å | ||
| 142 | K | 97.2 | Very high | 96.7 | Very high | 161 Ų | 161 | 88.4 Ų | 88.4 | 70% | 0.7 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -58.2 | -43 | 178.8 | -178.7 | -177.3 | 169 | -169.8 | 0 | 111.6 | V145 E146 | K142-V145 PolarHBondContact O-N 2.84Å; K142-E146 WeakPolarHBondContact CE-OE1 3.18Å; K142-E146 IonicContact NZ-OE1 3.02Å; K142-E146 WeakPolarHBondContact O-CG 3.35Å; K142-E146 PolarHBondContact O-N 2.84Å |
| 143 | E | 98 | Very high | 97 | Very high | 157 Ų | 157 | 87.5 Ų | 87.5 | 73% | 0.734 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -66.4 | -37 | 179.1 | -64.2 | -179.6 | 179 | 0 | 0 | 112.2 | G141 E146 K147 | G141-E143 VanDerWaalsContact C-N 3.28Å; G141-E143 PolarHBondContact O-N 2.88Å; E143-E146 PolarHBondContact O-N 2.9Å; E143-K147 WeakPolarHBondContact O-CB 3.36Å; E143-K147 PolarHBondContact O-N 2.87Å |
| 144 | D | 98.1 | Very high | 97.3 | Very high | 83 Ų | 83 | 85.3 Ų | 85.3 | 44% | 0.444 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -66.4 | -42.9 | 176.2 | -59.3 | -49.8 | 0 | 0 | 0 | 111.2 | E125 G141 E146 K147 F148 | E125-D144 HydrophobicContact CG-CB 3.92Å; G141-D144 PolarHBondContact O-N 3.48Å; D144-E146 PolarHBondContact O-N 3.36Å; D144-K147 PolarHBondContact O-N 3.42Å; D144-F148 WeakPolarHBondContact O-CB 3.41Å; D144-F148 PolarHBondContact O-N 2.81Å |
| 145 | V | 98.4 | Very high | 97.6 | Very high | 28 Ų | 28 | 78.9 Ų | 78.9 | 17% | 0.17 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -59.7 | -45.5 | 172.9 | 172.7 | 0 | 0 | 0 | 0 | 110.9 | E125 A140 G141 K142 K147 F148 Q149 | E125-V145 HydrophobicContact CB-CG2 4.23Å; E125-V145 HydrophobicContact CG-CG2 4.38Å; A140-V145 HydrophobicContact CB-CG2 3.61Å; G141-V145 WeakPolarHBondContact O-CG2 3.2Å; G141-V145 PolarHBondContact O-N 2.92Å; K142-V145 PolarHBondContact O-N 2.84Å; V145-K147 PolarHBondContact O-N 2.88Å; V145-F148 PolarHBondContact O-N 2.84Å; V145-Q149 HydrophobicContact CG1-CG 4.42Å; V145-Q149 VanDerWaalsContact CG1-NE2 3.31Å; V145-Q149 WeakPolarHBondContact O-CB 3.14Å; V145-Q149 WeakPolarHBondContact O-CG 3.33Å; V145-Q149 PolarHBondContact O-N 2.9Å |
| 146 | E | 98.2 | Very high | 97.9 | Very high | 97 Ų | 97 | 76.5 Ų | 76.5 | 45% | 0.453 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -62.9 | -41.4 | 177.4 | -74.8 | 175.1 | -176.4 | 0 | 0 | 112 | K142 E143 D144 Q149 K150 | K142-E146 WeakPolarHBondContact CE-OE1 3.18Å; K142-E146 IonicContact NZ-OE1 3.02Å; K142-E146 WeakPolarHBondContact O-CG 3.35Å; K142-E146 PolarHBondContact O-N 2.84Å; E143-E146 PolarHBondContact O-N 2.9Å; D144-E146 PolarHBondContact O-N 3.36Å; E146-Q149 PolarHBondContact O-N 2.8Å; E146-K150 WeakPolarHBondContact O-CB 3.33Å; E146-K150 PolarHBondContact O-N 3.22Å |
| 147 | K | 98.4 | Very high | 98 | Very high | 156 Ų | 156 | 73.2 Ų | 73.2 | 68% | 0.678 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -64 | -44.7 | 175.6 | -175.8 | -178.4 | 176.5 | -174.2 | 0 | 111.8 | E143 D144 V145 K150 S151 | E143-K147 WeakPolarHBondContact O-CB 3.36Å; E143-K147 PolarHBondContact O-N 2.87Å; D144-K147 PolarHBondContact O-N 3.42Å; V145-K147 PolarHBondContact O-N 2.88Å; K147-K150 PolarHBondContact O-N 3.1Å; K147-S151 PolarHBondContact O-N 2.94Å |
| 148 | F | 98.7 | Very high | 98.1 | Very high | 7 Ų | 7 | 64 Ų | 64 | 3% | 0.031 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -59.2 | -48.2 | 175.7 | -179 | -94.7 | 0 | 0 | 0 | 111.2 | V98 L120 H123 E125 E126 D144 V145 K150 S151 L152 | V98-F148 HydrophobicContact CB-CD2 4.25Å; V98-F148 HydrophobicContact CB-CE2 4.32Å; V98-F148 HydrophobicContact CG1-CD2 3.58Å; V98-F148 HydrophobicContact CG1-CE2 3.5Å; V98-F148 HydrophobicContact CG1-CG 4.24Å; V98-F148 HydrophobicContact CG1-CZ 4.15Å; V98-F148 HydrophobicContact CG2-CD2 3.78Å; V98-F148 HydrophobicContact CG2-CE2 3.83Å; L120-F148 HydrophobicContact CD2-CZ 4.09Å; H123-F148 HydrophobicContact CB-CD2 3.97Å; H123-F148 HydrophobicContact CB-CE2 3.46Å; H123-F148 VanDerWaalsContact CB-CE2 3.46Å; H123-F148 HydrophobicContact CB-CZ 4.15Å; H123-F148 AromaticContact CD2-CE2 3.94Å; H123-F148 AromaticContact CG-CE2 3.62Å; E125-F148 HydrophobicContact CB-CB 3.57Å; E125-F148 HydrophobicContact CB-CD1 3.97Å; E125-F148 HydrophobicContact CB-CD2 3.95Å; E125-F148 HydrophobicContact CB-CG 3.57Å; E125-F148 HydrophobicContact CG-CB 3.99Å; E125-F148 HydrophobicContact CG-CG 4.4Å; E126-F148 HydrophobicContact CB-CE1 4.2Å; E126-F148 HydrophobicContact CB-CZ 4.21Å; D144-F148 WeakPolarHBondContact O-CB 3.41Å; D144-F148 PolarHBondContact O-N 2.81Å; V145-F148 PolarHBondContact O-N 2.84Å; F148-K150 VanDerWaalsContact C-N 3.35Å; F148-K150 PolarHBondContact O-N 3.25Å; F148-S151 WeakPolarHBondContact O-CB 3.4Å; F148-S151 PolarHBondContact O-N 2.87Å; F148-L152 HydrophobicContact CD1-CD1 3.96Å; F148-L152 HydrophobicContact CD1-CG 4.43Å; F148-L152 HydrophobicContact CE1-CD1 3.44Å; F148-L152 VanDerWaalsContact CE1-CD1 3.44Å; F148-L152 HydrophobicContact CE1-CG 4.14Å; F148-L152 HydrophobicContact CZ-CD1 4.04Å; F148-L152 HydrophobicContact CZ-CG 4.44Å; F148-L152 PolarHBondContact O-N 2.87Å |
| 149 | Q | 98.6 | Very high | 98.2 | Very high | 38 Ų | 38 | 61.1 Ų | 61.1 | 18% | 0.178 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.2 | -38.2 | 177.2 | -71.5 | 178.3 | 10.4 | 0 | 0 | 113 | V145 E146 S151 L152 T153 S172 G176 | V145-Q149 HydrophobicContact CG1-CG 4.42Å; V145-Q149 VanDerWaalsContact CG1-NE2 3.31Å; V145-Q149 WeakPolarHBondContact O-CB 3.14Å; V145-Q149 WeakPolarHBondContact O-CG 3.33Å; V145-Q149 PolarHBondContact O-N 2.9Å; E146-Q149 PolarHBondContact O-N 2.8Å; Q149-S151 VanDerWaalsContact C-N 3.35Å; Q149-L152 PolarHBondContact O-N 3.37Å; Q149-T153 WeakPolarHBondContact O-CB 3.41Å; Q149-T153 PolarHBondContact O-N 3.02Å; Q149-T153 PolarHBondContact O-OG1 2.9Å; Q149-S172 WeakPolarHBondContact CG-OG 3.46Å; Q149-S172 PolarHBondContact NE2-OG 3.17Å; Q149-G176 VanDerWaalsContact CD-CA 3.41Å |
| 150 | K | 98.6 | Very high | 98.3 | Very high | 163 Ų | 163 | 52 Ų | 52 | 71% | 0.709 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -64.1 | -41.1 | 175.1 | -174.5 | 177.9 | -179.5 | -179.4 | 0 | 111.5 | E146 K147 F148 T153 S154 | E146-K150 WeakPolarHBondContact O-CB 3.33Å; E146-K150 PolarHBondContact O-N 3.22Å; K147-K150 PolarHBondContact O-N 3.1Å; F148-K150 VanDerWaalsContact C-N 3.35Å; F148-K150 PolarHBondContact O-N 3.25Å; K150-T153 PolarHBondContact O-N 3.3Å; K150-S154 PolarHBondContact O-N 2.94Å; K150-S154 VanDerWaalsContact O-N 3.11Å |
| 151 | S | 98.7 | Very high | 98.4 | Very high | 8 Ų | 8 | 51.1 Ų | 51.1 | 6% | 0.056 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.5 | -51.4 | 175.3 | -167.9 | 0 | 0 | 0 | 0 | 110.6 | V98 G99 E103 K147 F148 Q149 T153 S154 L155 | V98-S151 WeakPolarHBondContact CB-OG 3.35Å; G99-S151 PolarHBondContact N-OG 3.33Å; E103-S151 WeakPolarHBondContact OE1-CA 3.13Å; E103-S151 VanDerWaalsContact OE1-CB 3.25Å; E103-S151 WeakPolarHBondContact OE1-CB 3.15Å; E103-S151 PolarHBondContact OE1-OG 3.35Å; K147-S151 PolarHBondContact O-N 2.94Å; F148-S151 WeakPolarHBondContact O-CB 3.4Å; F148-S151 PolarHBondContact O-N 2.87Å; Q149-S151 VanDerWaalsContact C-N 3.35Å; S151-T153 PolarHBondContact O-N 3.46Å; S151-S154 PolarHBondContact O-N 3.11Å; S151-S154 VanDerWaalsContact O-N 3.08Å; S151-S154 PolarHBondContact O-OG 2.82Å; S151-L155 WeakPolarHBondContact O-CG 3.4Å |
| 152 | L | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -57.2 | -36.9 | 174.8 | -67 | -178.4 | 0 | 0 | 0 | 113.3 | M60 V98 L120 F148 Q149 S154 L155 V177 | M60-L152 HydrophobicContact SD-CD1 4.4Å; M60-L152 HydrophobicContact SD-CD2 4.03Å; V98-L152 HydrophobicContact CG1-CD2 3.77Å; V98-L152 HydrophobicContact CG1-CG 3.97Å; L120-L152 HydrophobicContact CD2-CD1 4.24Å; L120-L152 HydrophobicContact CD2-CD2 4.01Å; F148-L152 HydrophobicContact CD1-CD1 3.96Å; F148-L152 HydrophobicContact CD1-CG 4.43Å; F148-L152 HydrophobicContact CE1-CD1 3.44Å; F148-L152 VanDerWaalsContact CE1-CD1 3.44Å; F148-L152 HydrophobicContact CE1-CG 4.14Å; F148-L152 HydrophobicContact CZ-CD1 4.04Å; F148-L152 HydrophobicContact CZ-CG 4.44Å; F148-L152 PolarHBondContact O-N 2.87Å; Q149-L152 PolarHBondContact O-N 3.37Å; L152-S154 VanDerWaalsContact C-N 3.34Å; L152-S154 PolarHBondContact O-N 2.91Å; L152-L155 HydrophobicContact CD2-CD1 4.18Å; L152-L155 PolarHBondContact O-N 3.44Å; L152-V177 HydrophobicContact CB-CG2 4.17Å |
| 153 | T | 98.7 | Very high | 98.4 | Very high | 24 Ų | 24 | 42 Ų | 42 | 15% | 0.147 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.6 | -33.9 | 178.7 | -59.4 | 0 | 0 | 0 | 0 | 112.2 | Q149 K150 S151 L155 V177 K178 L179 | Q149-T153 WeakPolarHBondContact O-CB 3.41Å; Q149-T153 PolarHBondContact O-N 3.02Å; Q149-T153 PolarHBondContact O-OG1 2.9Å; K150-T153 PolarHBondContact O-N 3.3Å; S151-T153 PolarHBondContact O-N 3.46Å; T153-L155 PolarHBondContact O-N 3.23Å; T153-V177 WeakPolarHBondContact OG1-CA 3.15Å; T153-K178 HydrophobicContact CG2-CB 4.4Å; T153-K178 PolarHBondContact OG1-N 2.74Å; T153-K178 VanDerWaalsContact OG1-N 3.08Å; T153-L179 HydrophobicContact CG2-CD2 3.79Å; T153-L179 HydrophobicContact CG2-CG 4.06Å |
| 154 | S | 98.4 | Very high | 98.3 | Very high | 52 Ų | 52 | 34.5 Ų | 34.5 | 36% | 0.364 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -73.6 | -15.6 | -177.1 | 79.9 | 0 | 0 | 0 | 0 | 113.8 | R17 K150 S151 L152 G156 | R17-S154 PolarHBondContact NH1-O 2.95Å; R17-S154 PolarHBondContact NH2-O 3.5Å; K150-S154 PolarHBondContact O-N 2.94Å; K150-S154 VanDerWaalsContact O-N 3.11Å; S151-S154 PolarHBondContact O-N 3.11Å; S151-S154 VanDerWaalsContact O-N 3.08Å; S151-S154 PolarHBondContact O-OG 2.82Å; L152-S154 VanDerWaalsContact C-N 3.34Å; L152-S154 PolarHBondContact O-N 2.91Å; S154-G156 PolarHBondContact O-N 3.41Å |
| 155 | L | 98.6 | Very high | 98 | Very high | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -10.1 | -174.1 | -54.9 | -175.6 | 0 | 0 | 0 | 113.9 | V19 V58 V102 E103 C106 L117 S151 L152 T153 | V19-L155 VanDerWaalsContact CG2-C 3.42Å; V19-L155 HydrophobicContact CG2-CB 3.73Å; V58-L155 HydrophobicContact CG1-CB 4.26Å; V58-L155 HydrophobicContact CG1-CD1 4.14Å; V102-L155 HydrophobicContact CG1-CD1 4.2Å; V102-L155 HydrophobicContact CG1-CD2 3.9Å; E103-L155 HydrophobicContact CG-CD2 4.15Å; C106-L155 HydrophobicContact CB-CB 4.47Å; C106-L155 HydrophobicContact CB-CD2 4.1Å; L117-L155 HydrophobicContact CD1-CD1 3.6Å; S151-L155 WeakPolarHBondContact O-CG 3.4Å; L152-L155 HydrophobicContact CD2-CD1 4.18Å; L152-L155 PolarHBondContact O-N 3.44Å; T153-L155 PolarHBondContact O-N 3.23Å |
| 156 | G | 98.3 | Very high | 97.8 | Very high | 3 Ų | 3 | 30 Ų | 30 | 3% | 0.031 | 15% | 0.15 | C | C | . | . | trans | -168.4 | -169.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | R17 S154 L179 | R17-G156 WeakPolarHBondContact O-CA 3.49Å; S154-G156 PolarHBondContact O-N 3.41Å; G156-L179 WeakPolarHBondContact O-CD2 3.45Å | ||
| 157 | D | 98.5 | Very high | 97.7 | Very high | 57 Ų | 57 | 25.3 Ų | 25.3 | 31% | 0.305 | 13% | 0.128 | S | C | . | . | S | Bend | trans | -111.6 | -21.5 | -172.6 | -41.3 | -47.4 | 0 | 0 | 0 | 111.3 | K16 R17 | K16-D157 HydrophobicContact CB-CB 4.46Å; K16-D157 HydrophobicContact CD-CB 3.98Å; R17-D157 WeakPolarHBondContact CB-OD2 3.32Å; R17-D157 IonicContact CZ-OD1 3.6Å; R17-D157 PolarHBondContact N-OD2 2.92Å; R17-D157 IonicContact NE-OD1 3.89Å; R17-D157 PolarHBondContact NE-OD1 2.92Å; R17-D157 VanDerWaalsContact NE-OD1 3.17Å; R17-D157 IonicContact NE-OD2 3.78Å; R17-D157 IonicContact NH2-OD1 2.69Å; R17-D157 PolarHBondContact NH2-OD1 2.96Å; R17-D157 PolarHBondContact O-N 3.46Å |
| 158 | V | 98.7 | Very high | 97.5 | Very high | 4 Ų | 4 | 19.5 Ų | 19.5 | 2% | 0.024 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 133.4 | 176.2 | 176.6 | 0 | 0 | 0 | 0 | 108.6 | V11 L13 K16 R17 V18 V19 V160 T181 | V11-V158 HydrophobicContact CG1-CG1 4.03Å; V11-V158 HydrophobicContact CG1-CG2 4.2Å; L13-V158 HydrophobicContact CD2-CG1 4.19Å; K16-V158 HydrophobicContact CB-CG2 4.17Å; K16-V158 HydrophobicContact CG-CG2 4.18Å; R17-V158 PolarHBondContact O-N 3.37Å; V18-V158 WeakPolarHBondContact CA-O 3.27Å; V18-V158 HydrophobicContact CG1-CB 4.39Å; V18-V158 HydrophobicContact CG1-CG1 4.34Å; V18-V158 HydrophobicContact CG2-CB 4.47Å; V19-V158 PolarHBondContact N-O 2.68Å; V158-V160 HydrophobicContact CG1-CG2 4.17Å; V158-T181 HydrophobicContact CG1-CG2 4.06Å |
| 159 | Y | 98.8 | Very high | 97.3 | Very high | 3 Ų | 3 | 22.5 Ų | 22.5 | 1% | 0.012 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 134.5 | 170.5 | 172.6 | -100.6 | 0 | 0 | 0 | 110.4 | V19 R21 M60 N161 S173 V177 T181 R182 A183 L412 | V19-Y159 CarbonylContact O-C 3.57Å; V19-Y159 WeakPolarHBondContact O-CA 3.22Å; R21-Y159 HydrophobicContact CB-CE2 4.06Å; M60-Y159 HydrophobicContact CE-CD2 4.18Å; M60-Y159 HydrophobicContact CE-CE2 3.51Å; Y159-N161 HydrophobicContact CE1-CB 3.73Å; Y159-S173 PolarHBondContact OH-O 3.25Å; Y159-V177 HydrophobicContact CD2-CB 3.78Å; Y159-V177 HydrophobicContact CD2-CG1 3.67Å; Y159-V177 HydrophobicContact CD2-CG2 3.88Å; Y159-V177 HydrophobicContact CE2-CB 4.06Å; Y159-V177 HydrophobicContact CE2-CG1 4.44Å; Y159-V177 HydrophobicContact CE2-CG2 3.86Å; Y159-V177 HydrophobicContact CG-CB 4.16Å; Y159-V177 HydrophobicContact CG-CG1 3.87Å; Y159-T181 PolarHBondContact N-O 3.5Å; Y159-R182 HydrophobicContact CD1-CB 3.89Å; Y159-R182 HydrophobicContact CD1-CG 3.79Å; Y159-R182 HydrophobicContact CG-CG 4.25Å; Y159-R182 CarbonylContact O-C 3.57Å; Y159-R182 WeakPolarHBondContact O-CA 3.4Å; Y159-A183 PolarHBondContact O-N 3.5Å; Y159-L412 HydrophobicContact CD1-CD2 4.18Å; Y159-L412 HydrophobicContact CE1-CD2 3.89Å |
| 160 | V | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 122.8 | 173.3 | -179.8 | 0 | 0 | 0 | 0 | 108.9 | I8 V18 V19 I20 R21 T45 V158 A183 | I8-V160 HydrophobicContact CD1-CG1 4.23Å; I8-V160 HydrophobicContact CD1-CG2 4Å; I8-V160 HydrophobicContact CG1-CG2 4.21Å; V18-V160 HydrophobicContact CG1-CB 4.45Å; V18-V160 HydrophobicContact CG1-CG2 3.64Å; V19-V160 PolarHBondContact O-N 3.23Å; I20-V160 CarbonylContact C-O 3.57Å; I20-V160 VanDerWaalsContact CA-O 3.28Å; I20-V160 WeakPolarHBondContact CA-O 3.18Å; I20-V160 HydrophobicContact CB-CB 4.47Å; I20-V160 HydrophobicContact CG1-CB 4.19Å; I20-V160 HydrophobicContact CG2-CB 4.14Å; I20-V160 HydrophobicContact CG2-CG1 4.15Å; R21-V160 PolarHBondContact N-O 3.18Å; T45-V160 HydrophobicContact CG2-CG1 4Å; V158-V160 HydrophobicContact CG1-CG2 4.17Å; V160-A183 CarbonylContact C-O 3.52Å; V160-A183 VanDerWaalsContact CA-O 3.28Å; V160-A183 WeakPolarHBondContact CA-O 3.33Å |
| 161 | N | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 114.5 | 169.2 | -173.1 | -5.3 | 0 | 0 | 0 | 109.4 | Y159 A163 M174 A183 A184 G185 L188 G408 L412 | Y159-N161 HydrophobicContact CE1-CB 3.73Å; N161-A163 PolarHBondContact OD1-N 3.09Å; N161-M174 WeakPolarHBondContact ND2-CE 3.42Å; N161-A183 PolarHBondContact N-O 2.86Å; N161-A184 WeakPolarHBondContact O-CA 3.31Å; N161-G185 PolarHBondContact O-N 3.45Å; N161-L188 HydrophobicContact CB-CD1 4.12Å; N161-L188 WeakPolarHBondContact O-CB 3.4Å; N161-G408 PolarHBondContact ND2-O 2.95Å; N161-L412 HydrophobicContact CB-CD1 4.38Å; N161-L412 HydrophobicContact CB-CD2 3.81Å |
| 162 | D | 98 | Very high | 97.1 | Very high | 1 Ų | 1 | 17 Ų | 17 | 1% | 0.005 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 19.3 | 174.7 | -148.2 | 29 | 0 | 0 | 0 | 111.7 | I20 R21 T45 G185 F186 L187 L188 | I20-D162 HydrophobicContact CG2-CB 4.19Å; R21-D162 CarbonylContact O-C 3.49Å; R21-D162 WeakPolarHBondContact O-CA 3.08Å; R21-D162 PolarHBondContact O-N 3.1Å; T45-D162 WeakPolarHBondContact CB-OD2 3.47Å; T45-D162 HydrophobicContact CG2-CB 4.47Å; T45-D162 VanDerWaalsContact OG1-CG 3.27Å; T45-D162 PolarHBondContact OG1-OD2 2.84Å; D162-G185 WeakPolarHBondContact OD1-CA 3.35Å; D162-F186 PolarHBondContact OD1-N 3.42Å; D162-F186 VanDerWaalsContact OD1-N 3.16Å; D162-L187 WeakPolarHBondContact OD1-CA 3.47Å; D162-L187 VanDerWaalsContact OD1-CB 3.26Å; D162-L187 WeakPolarHBondContact OD1-CB 3.48Å; D162-L187 PolarHBondContact OD1-N 3.05Å; D162-L188 PolarHBondContact OD1-N 3.13Å; D162-L188 VanDerWaalsContact OD1-N 3.16Å |
| 163 | A | 96.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 10% | 0.103 | C | C | . | . | trans | -109.5 | 65.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | R21 D23 N161 G165 T166 A167 M174 | R21-A163 HydrophobicContact CG-CB 3.9Å; R21-A163 PolarHBondContact O-N 3.46Å; D23-A163 HydrophobicContact CB-CB 3.96Å; N161-A163 PolarHBondContact OD1-N 3.09Å; A163-G165 PolarHBondContact O-N 3Å; A163-T166 PolarHBondContact O-N 3.33Å; A163-A167 PolarHBondContact O-N 3.43Å; A163-M174 HydrophobicContact CB-SD 4.47Å | ||
| 164 | F | 94.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 10% | 0.096 | C | C | . | . | G | 310 helix | trans | -54.7 | -39.9 | -179.3 | -179.2 | -107.1 | 0 | 0 | 0 | 112.6 | T166 A167 E191 F195 A396 L400 L406 | F164-T166 PolarHBondContact O-N 3.42Å; F164-A167 HydrophobicContact CD2-CB 4.42Å; F164-A167 WeakPolarHBondContact O-CB 3.46Å; F164-A167 PolarHBondContact O-N 2.71Å; F164-E191 HydrophobicContact CB-CB 4.24Å; F164-E191 HydrophobicContact CB-CG 3.78Å; F164-E191 HydrophobicContact CD1-CB 3.9Å; F164-E191 HydrophobicContact CD1-CG 3.57Å; F164-E191 WeakPolarHBondContact CD1-OE1 3.19Å; F164-E191 HydrophobicContact CD2-CB 3.58Å; F164-E191 HydrophobicContact CD2-CG 4.03Å; F164-E191 HydrophobicContact CE1-CB 4.12Å; F164-E191 HydrophobicContact CE1-CG 4.13Å; F164-E191 WeakPolarHBondContact CE1-OE2 3.46Å; F164-E191 HydrophobicContact CE2-CB 3.82Å; F164-E191 HydrophobicContact CG-CB 3.63Å; F164-E191 HydrophobicContact CG-CG 3.51Å; F164-E191 HydrophobicContact CZ-CB 4.08Å; F164-F195 HydrophobicContact CE1-CE2 4.12Å; F164-F195 HydrophobicContact CZ-CD2 4.08Å; F164-F195 AromaticContact CZ-CE2 3.81Å; F164-F195 HydrophobicContact CZ-CE2 3.81Å; F164-A396 HydrophobicContact CD1-CB 4.27Å; F164-A396 HydrophobicContact CE1-CB 3.96Å; F164-A396 HydrophobicContact CE2-CB 4.32Å; F164-A396 HydrophobicContact CZ-CB 3.98Å; F164-A396 WeakPolarHBondContact O-CB 3.4Å; F164-L400 HydrophobicContact CE2-CD2 4.44Å; F164-L400 HydrophobicContact CZ-CD2 4.38Å; F164-L406 HydrophobicContact CE2-CD1 3.88Å; F164-L406 HydrophobicContact CZ-CD1 4.47Å |
| 165 | G | 92.7 | Very high | 97.1 | Very high | 13 Ų | 13 | 14.9 Ų | 14.9 | 13% | 0.134 | 9% | 0.088 | C | C | . | . | G | 310 helix | trans | -56.6 | -23.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | A163 H168 | A163-G165 PolarHBondContact O-N 3Å; G165-H168 PolarHBondContact O-CE1 3.48Å; G165-H168 PolarHBondContact O-ND1 2.87Å |
| 166 | T | 94.3 | Very high | 97.1 | Very high | 2 Ų | 2 | 14.9 Ų | 14.9 | 1% | 0.012 | 9% | 0.087 | C | C | . | . | G | 310 helix | trans | -103.4 | -2.4 | 176.5 | -42.9 | 0 | 0 | 0 | 0 | 112.9 | H62 A163 F164 H168 R169 M174 | H62-T166 PolarHBondContact CE1-OG1 3.27Å; H62-T166 VanDerWaalsContact CE1-OG1 3.24Å; A163-T166 PolarHBondContact O-N 3.33Å; F164-T166 PolarHBondContact O-N 3.42Å; T166-H168 PolarHBondContact O-N 2.92Å; T166-H168 VanDerWaalsContact O-N 3.09Å; T166-R169 HydrophobicContact CG2-CB 4.16Å; T166-R169 HydrophobicContact CG2-CG 4.28Å; T166-R169 WeakPolarHBondContact O-CB 3.49Å; T166-R169 PolarHBondContact O-N 2.73Å; T166-M174 HydrophobicContact CG2-CG 3.98Å; T166-M174 HydrophobicContact CG2-SD 3.94Å |
| 167 | A | 95.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 9% | 0.087 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -24.5 | -171.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | A163 F164 R169 M174 L406 P407 G408 V409 | A163-A167 PolarHBondContact O-N 3.43Å; F164-A167 HydrophobicContact CD2-CB 4.42Å; F164-A167 WeakPolarHBondContact O-CB 3.46Å; F164-A167 PolarHBondContact O-N 2.71Å; A167-R169 PolarHBondContact O-N 2.91Å; A167-M174 HydrophobicContact CB-CE 4.4Å; A167-L406 HydrophobicContact CB-CB 4.38Å; A167-L406 HydrophobicContact CB-CD1 4.15Å; A167-L406 CarbonylContact O-C 3.53Å; A167-P407 WeakPolarHBondContact O-CD 3.43Å; A167-G408 PolarHBondContact O-N 3.44Å; A167-V409 HydrophobicContact CB-CG2 4.07Å |
| 168 | H | 93.8 | Very high | 97 | Very high | 33 Ų | 33 | 18.3 Ų | 18.3 | 15% | 0.153 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73 | -10.8 | 174 | 63.3 | -72.6 | 0 | 0 | 0 | 113.9 | G165 T166 A396 E399 L406 | G165-H168 PolarHBondContact O-CE1 3.48Å; G165-H168 PolarHBondContact O-ND1 2.87Å; T166-H168 PolarHBondContact O-N 2.92Å; T166-H168 VanDerWaalsContact O-N 3.09Å; H168-A396 HydrophobicContact CB-CB 4.32Å; H168-A396 PolarHBondContact ND1-N 3.11Å; H168-E399 HydrophobicContact CB-CG 4.43Å; H168-E399 IonicContact CD2-OE1 2.77Å; H168-E399 PolarHBondContact CD2-OE1 3.06Å; H168-E399 IonicContact CG-OE1 3.53Å; H168-L406 HydrophobicContact CB-CD2 3.96Å |
| 169 | R | 94.9 | Very high | 97 | Very high | 70 Ų | 70 | 19.3 Ų | 19.3 | 26% | 0.264 | 10% | 0.104 | S | C | . | . | S | Bend | trans | -103.8 | 129.1 | -175.6 | -50.9 | -167.6 | -179.7 | -167.1 | -1.8 | 111.4 | E127 T166 A167 H171 M174 | E127-R169 IonicContact OE1-NH1 3.84Å; E127-R169 PolarHBondContact OE1-NH1 3.36Å; T166-R169 HydrophobicContact CG2-CB 4.16Å; T166-R169 HydrophobicContact CG2-CG 4.28Å; T166-R169 WeakPolarHBondContact O-CB 3.49Å; T166-R169 PolarHBondContact O-N 2.73Å; A167-R169 PolarHBondContact O-N 2.91Å; R169-H171 WeakPolarHBondContact CD-CE1 3.28Å; R169-H171 VanDerWaalsContact CD-NE2 3.31Å; R169-H171 WeakPolarHBondContact CD-NE2 3.44Å; R169-H171 PolarHBondContact O-N 3.41Å; R169-M174 WeakPolarHBondContact O-CB 3.22Å |
| 170 | A | 96.3 | Very high | 96.9 | Very high | 71 Ų | 71 | 26.6 Ų | 26.6 | 59% | 0.587 | 14% | 0.144 | S | C | * | . | trans | -79.8 | 45 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | V175 P407 | A170-V175 HydrophobicContact CB-CG1 4.45Å; A170-V175 HydrophobicContact CB-CG2 4.5Å; A170-P407 HydrophobicContact CB-CB 3.92Å; A170-P407 HydrophobicContact CB-CG 4.16Å | ||
| 171 | H | 98 | Very high | 96.9 | Very high | 18 Ų | 18 | 28.8 Ų | 28.8 | 8% | 0.083 | 16% | 0.157 | C | C | . | . | trans | -75.1 | 158.2 | 179.1 | -66 | -175.6 | 0 | 0 | 0 | 112.2 | E126 E127 R169 S173 M174 V175 | E126-H171 HydrophobicContact CG-CB 4.49Å; E126-H171 CarbonylContact O-C 3.47Å; E126-H171 VanDerWaalsContact O-CA 3.24Å; E126-H171 WeakPolarHBondContact O-CA 3.5Å; E126-H171 WeakPolarHBondContact O-CB 3.45Å; E126-H171 WeakPolarHBondContact OE1-CB 3.19Å; E126-H171 IonicContact OE1-CG 3.41Å; E126-H171 IonicContact OE1-ND1 3.41Å; E126-H171 PolarHBondContact OE1-ND1 3.41Å; E127-H171 IonicContact OE1-CE1 2.74Å; E127-H171 PolarHBondContact OE1-CE1 2.98Å; E127-H171 IonicContact OE1-NE2 2.68Å; R169-H171 WeakPolarHBondContact CD-CE1 3.28Å; R169-H171 VanDerWaalsContact CD-NE2 3.31Å; R169-H171 WeakPolarHBondContact CD-NE2 3.44Å; R169-H171 PolarHBondContact O-N 3.41Å; H171-S173 VanDerWaalsContact C-N 3.34Å; H171-S173 PolarHBondContact O-N 2.74Å; H171-M174 HydrophobicContact CB-CB 4.41Å; H171-M174 HydrophobicContact CB-CG 4Å; H171-M174 WeakPolarHBondContact O-CA 3.14Å; H171-M174 WeakPolarHBondContact O-CB 3.32Å; H171-M174 PolarHBondContact O-N 2.9Å; H171-V175 WeakPolarHBondContact O-CG2 3.27Å; H171-V175 PolarHBondContact O-N 2.91Å | ||
| 172 | S | 98.7 | Very high | 96.8 | Very high | 4 Ų | 4 | 31.9 Ų | 31.9 | 3% | 0.028 | 17% | 0.168 | C | C | . | . | I | π-helix | trans | -55.2 | -44.5 | -179.3 | -72.9 | 0 | 0 | 0 | 0 | 113.3 | E125 E126 Q149 M174 G176 | E125-S172 WeakPolarHBondContact O-CB 3.26Å; E125-S172 PolarHBondContact O-OG 3.36Å; E126-S172 PolarHBondContact O-N 3.41Å; Q149-S172 WeakPolarHBondContact CG-OG 3.46Å; Q149-S172 PolarHBondContact NE2-OG 3.17Å; S172-M174 PolarHBondContact O-N 2.94Å; S172-G176 WeakPolarHBondContact O-CA 3.18Å; S172-G176 PolarHBondContact O-N 3.4Å |
| 173 | S | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | I | π-helix | trans | -67.2 | -15.9 | 176 | 70.5 | 0 | 0 | 0 | 0 | 115.1 | R21 M60 L120 E126 Y159 H171 | R21-S173 PolarHBondContact NE-OG 2.86Å; M60-S173 WeakPolarHBondContact CE-O 3.43Å; L120-S173 VanDerWaalsContact CD1-CB 3.46Å; L120-S173 WeakPolarHBondContact CD1-OG 3.38Å; E126-S173 VanDerWaalsContact CD-OG 3.3Å; E126-S173 PolarHBondContact OE1-OG 3.14Å; E126-S173 VanDerWaalsContact OE2-CB 3.25Å; E126-S173 WeakPolarHBondContact OE2-CB 3.43Å; E126-S173 PolarHBondContact OE2-N 2.97Å; E126-S173 PolarHBondContact OE2-OG 2.95Å; Y159-S173 PolarHBondContact OH-O 3.25Å; H171-S173 VanDerWaalsContact C-N 3.34Å; H171-S173 PolarHBondContact O-N 2.74Å |
| 174 | M | 98.1 | Very high | 96.9 | Very high | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | I | π-helix | trans | -97.4 | -37.2 | -177.4 | -59.8 | -60 | -59.9 | 0 | 0 | 112.6 | R21 N161 A163 T166 A167 R169 H171 S172 | R21-M174 HydrophobicContact CG-SD 3.61Å; N161-M174 WeakPolarHBondContact ND2-CE 3.42Å; A163-M174 HydrophobicContact CB-SD 4.47Å; T166-M174 HydrophobicContact CG2-CG 3.98Å; T166-M174 HydrophobicContact CG2-SD 3.94Å; A167-M174 HydrophobicContact CB-CE 4.4Å; R169-M174 WeakPolarHBondContact O-CB 3.22Å; H171-M174 HydrophobicContact CB-CB 4.41Å; H171-M174 HydrophobicContact CB-CG 4Å; H171-M174 WeakPolarHBondContact O-CA 3.14Å; H171-M174 WeakPolarHBondContact O-CB 3.32Å; H171-M174 PolarHBondContact O-N 2.9Å; S172-M174 PolarHBondContact O-N 2.94Å |
| 175 | V | 97.8 | Very high | 97.1 | Very high | 32 Ų | 32 | 31.9 Ų | 31.9 | 19% | 0.194 | 17% | 0.169 | C | C | . | . | I | π-helix | trans | -125.8 | -13.9 | -173 | -53 | 0 | 0 | 0 | 0 | 114.2 | A170 H171 K178 P407 A411 | A170-V175 HydrophobicContact CB-CG1 4.45Å; A170-V175 HydrophobicContact CB-CG2 4.5Å; H171-V175 WeakPolarHBondContact O-CG2 3.27Å; H171-V175 PolarHBondContact O-N 2.91Å; V175-K178 PolarHBondContact O-NZ 2.86Å; V175-P407 HydrophobicContact CG1-CB 3.88Å; V175-A411 HydrophobicContact CB-CB 4.22Å; V175-A411 HydrophobicContact CG1-CB 4.17Å |
| 176 | G | 98 | Very high | 97.4 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.174 | C | C | . | . | I | π-helix | trans | -90.5 | -17 | -171.5 | 0 | 0 | 0 | 0 | 0 | 115 | Q149 S172 K178 | Q149-G176 VanDerWaalsContact CD-CA 3.41Å; S172-G176 WeakPolarHBondContact O-CA 3.18Å; S172-G176 PolarHBondContact O-N 3.4Å; G176-K178 WeakPolarHBondContact O-CG 3.42Å; G176-K178 PolarHBondContact O-N 3.34Å |
| 177 | V | 98.4 | Very high | 97.4 | Very high | 3 Ų | 3 | 34.9 Ų | 34.9 | 2% | 0.018 | 18% | 0.179 | C | C | . | . | trans | -72.4 | 114.7 | 176.4 | 179.6 | 0 | 0 | 0 | 0 | 110.1 | M60 L152 T153 Y159 L179 R182 | M60-V177 HydrophobicContact CE-CG2 4.09Å; L152-V177 HydrophobicContact CB-CG2 4.17Å; T153-V177 WeakPolarHBondContact OG1-CA 3.15Å; Y159-V177 HydrophobicContact CD2-CB 3.78Å; Y159-V177 HydrophobicContact CD2-CG1 3.67Å; Y159-V177 HydrophobicContact CD2-CG2 3.88Å; Y159-V177 HydrophobicContact CE2-CB 4.06Å; Y159-V177 HydrophobicContact CE2-CG1 4.44Å; Y159-V177 HydrophobicContact CE2-CG2 3.86Å; Y159-V177 HydrophobicContact CG-CB 4.16Å; Y159-V177 HydrophobicContact CG-CG1 3.87Å; V177-L179 HydrophobicContact CG1-CD1 4.07Å; V177-L179 HydrophobicContact CG1-CG 3.95Å; V177-R182 WeakPolarHBondContact O-CD 3.32Å | ||
| 178 | K | 97.1 | Very high | 97.5 | Very high | 130 Ų | 130 | 34.9 Ų | 34.9 | 57% | 0.565 | 18% | 0.179 | S | C | * | . | trans | -105.2 | 55.7 | -174.3 | -56.4 | -51.3 | -176.6 | -169.3 | 0 | 112.9 | T153 V175 G176 | T153-K178 HydrophobicContact CG2-CB 4.4Å; T153-K178 PolarHBondContact OG1-N 2.74Å; T153-K178 VanDerWaalsContact OG1-N 3.08Å; V175-K178 PolarHBondContact O-NZ 2.86Å; G176-K178 WeakPolarHBondContact O-CG 3.42Å; G176-K178 PolarHBondContact O-N 3.34Å | ||
| 179 | L | 98 | Very high | 97.6 | Very high | 24 Ų | 24 | 35.2 Ų | 35.2 | 13% | 0.126 | 18% | 0.18 | C | C | . | . | trans | -91.2 | 150.5 | 170.3 | -63.8 | 176.6 | 0 | 0 | 0 | 110.9 | T153 G156 V177 T181 R182 | T153-L179 HydrophobicContact CG2-CD2 3.79Å; T153-L179 HydrophobicContact CG2-CG 4.06Å; G156-L179 WeakPolarHBondContact O-CD2 3.45Å; V177-L179 HydrophobicContact CG1-CD1 4.07Å; V177-L179 HydrophobicContact CG1-CG 3.95Å; L179-T181 VanDerWaalsContact C-N 3.27Å; L179-T181 PolarHBondContact O-N 3.39Å; L179-R182 WeakPolarHBondContact O-CD 3.29Å; L179-R182 WeakPolarHBondContact O-CG 3.26Å; L179-R182 PolarHBondContact O-NE 3.29Å | ||
| 180 | D | 97.4 | Very high | 97.6 | Very high | 157 Ų | 157 | 36.5 Ų | 36.5 | 84% | 0.84 | 19% | 0.187 | S | C | * | . | S | Bend | trans | -62.3 | -37.4 | 179.7 | -68.8 | -25.2 | 0 | 0 | 0 | 112.1 | S413 | D180-S413 PolarHBondContact O-OG 2.71Š|
| 181 | T | 98.2 | Very high | 97.5 | Very high | 45 Ų | 45 | 33.1 Ų | 33.1 | 28% | 0.276 | 16% | 0.16 | S | C | . | . | trans | -104.8 | 106 | 178.4 | -54.6 | 0 | 0 | 0 | 0 | 110.2 | L6 V11 V158 Y159 L179 | L6-T181 HydrophobicContact CD2-CG2 3.82Å; V11-T181 HydrophobicContact CB-CG2 4.39Å; V11-T181 HydrophobicContact CG1-CG2 3.68Å; V11-T181 HydrophobicContact CG2-CG2 3.74Å; V158-T181 HydrophobicContact CG1-CG2 4.06Å; Y159-T181 PolarHBondContact N-O 3.5Å; L179-T181 VanDerWaalsContact C-N 3.27Å; L179-T181 PolarHBondContact O-N 3.39Å | ||
| 182 | R | 98.4 | Very high | 97.3 | Very high | 65 Ų | 65 | 32.5 Ų | 32.5 | 25% | 0.245 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 105.9 | 176.3 | -69.7 | 165.1 | -70.6 | 163.9 | -1.9 | 108.9 | Y159 V177 L179 A411 L412 S413 | Y159-R182 HydrophobicContact CD1-CB 3.89Å; Y159-R182 HydrophobicContact CD1-CG 3.79Å; Y159-R182 HydrophobicContact CG-CG 4.25Å; Y159-R182 CarbonylContact O-C 3.57Å; Y159-R182 WeakPolarHBondContact O-CA 3.4Å; V177-R182 WeakPolarHBondContact O-CD 3.32Å; L179-R182 WeakPolarHBondContact O-CD 3.29Å; L179-R182 WeakPolarHBondContact O-CG 3.26Å; L179-R182 PolarHBondContact O-NE 3.29Å; R182-A411 WeakPolarHBondContact CD-O 3.41Å; R182-A411 PolarHBondContact NH1-O 2.95Å; R182-L412 HydrophobicContact CB-CD2 4.11Å; R182-S413 PolarHBondContact N-OG 3.34Å; R182-S413 WeakPolarHBondContact O-CB 3.36Å; R182-S413 PolarHBondContact O-N 3.09Å; R182-S413 PolarHBondContact O-OG 3.33Å |
| 183 | A | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 159.5 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113 | L6 V11 Y159 V160 N161 L412 | L6-A183 HydrophobicContact CD2-CB 4.3Å; L6-A183 HydrophobicContact CG-CB 4.09Å; L6-A183 CarbonylContact O-C 3.39Å; L6-A183 WeakPolarHBondContact O-CA 3.2Å; L6-A183 WeakPolarHBondContact O-CB 3.25Å; V11-A183 HydrophobicContact CG2-CB 3.83Å; Y159-A183 PolarHBondContact O-N 3.5Å; V160-A183 CarbonylContact C-O 3.52Å; V160-A183 VanDerWaalsContact CA-O 3.28Å; V160-A183 WeakPolarHBondContact CA-O 3.33Å; N161-A183 PolarHBondContact N-O 2.86Å; A183-L412 WeakPolarHBondContact O-CD2 3.46Å |
| 184 | A | 98.3 | Very high | 96.7 | Very high | 2 Ų | 2 | 40 Ų | 40 | 2% | 0.017 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 131.9 | 165.7 | 0 | 0 | 0 | 0 | 0 | 110 | L6 I8 N161 L188 K189 L412 | L6-A184 PolarHBondContact O-N 2.82Å; I8-A184 PolarHBondContact N-O 3.41Å; N161-A184 WeakPolarHBondContact O-CA 3.31Å; A184-L188 HydrophobicContact CB-CD2 3.41Å; A184-L188 VanDerWaalsContact CB-CD2 3.41Å; A184-K189 HydrophobicContact CB-CB 4.27Å; A184-L412 HydrophobicContact CB-CD1 4.02Å |
| 185 | G | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 19% | 0.19 | C | C | . | . | trans | -70.9 | 176.1 | 162.4 | 0 | 0 | 0 | 0 | 0 | 111 | N161 D162 L187 L188 K189 | N161-G185 PolarHBondContact O-N 3.45Å; D162-G185 WeakPolarHBondContact OD1-CA 3.35Å; G185-L187 PolarHBondContact O-N 3.22Å; G185-L188 PolarHBondContact O-N 3.07Å; G185-K189 WeakPolarHBondContact O-CB 3.46Å; G185-K189 PolarHBondContact O-N 2.81Å | ||
| 186 | F | 97.8 | Very high | 96.1 | Very high | 54 Ų | 54 | 39.4 Ų | 39.4 | 24% | 0.237 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -68.9 | -33.7 | -175 | -70.3 | -51.3 | 0 | 0 | 0 | 114.2 | I8 D9 P44 T45 Y48 D162 K189 K190 | I8-F186 HydrophobicContact CG2-CD1 4.16Å; I8-F186 HydrophobicContact CG2-CD2 4.38Å; I8-F186 HydrophobicContact CG2-CE1 3.94Å; I8-F186 HydrophobicContact CG2-CE2 4.19Å; I8-F186 HydrophobicContact CG2-CG 4.37Å; I8-F186 HydrophobicContact CG2-CZ 3.96Å; D9-F186 HydrophobicContact CB-CE1 3.89Å; D9-F186 HydrophobicContact CB-CZ 4.05Å; P44-F186 HydrophobicContact CB-CD2 4.07Å; T45-F186 PolarHBondContact OG1-N 2.9Å; Y48-F186 VanDerWaalsContact CB-CE2 3.47Å; Y48-F186 HydrophobicContact CD1-CE2 4.13Å; Y48-F186 HydrophobicContact CD1-CZ 4.11Å; Y48-F186 AromaticContact CD2-CE2 3.79Å; Y48-F186 HydrophobicContact CD2-CE2 3.79Å; Y48-F186 AromaticContact CD2-CZ 3.65Å; Y48-F186 HydrophobicContact CD2-CZ 3.65Å; Y48-F186 HydrophobicContact CE2-CZ 4.06Å; Y48-F186 AromaticContact CG-CE2 3.51Å; Y48-F186 HydrophobicContact CG-CE2 3.51Å; Y48-F186 AromaticContact CG-CZ 3.7Å; Y48-F186 HydrophobicContact CG-CZ 3.7Å; D162-F186 PolarHBondContact OD1-N 3.42Å; D162-F186 VanDerWaalsContact OD1-N 3.16Å; F186-K189 HydrophobicContact CD1-CD 4.17Å; F186-K190 VanDerWaalsContact O-CB 3.25Å; F186-K190 WeakPolarHBondContact O-CB 3.27Å; F186-K190 PolarHBondContact O-N 2.85Å |
| 187 | L | 96 | Very high | 95.7 | Very high | 23 Ų | 23 | 43.1 Ų | 43.1 | 12% | 0.12 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.9 | -53.1 | 175.7 | 175.5 | 63.2 | 0 | 0 | 0 | 109.4 | E41 D162 G185 K189 K190 E191 T392 | E41-L187 HydrophobicContact CB-CD1 4.36Å; E41-L187 HydrophobicContact CB-CD2 4.17Å; D162-L187 WeakPolarHBondContact OD1-CA 3.47Å; D162-L187 VanDerWaalsContact OD1-CB 3.26Å; D162-L187 WeakPolarHBondContact OD1-CB 3.48Å; D162-L187 PolarHBondContact OD1-N 3.05Å; G185-L187 PolarHBondContact O-N 3.22Å; L187-K189 PolarHBondContact O-N 3.07Å; L187-K190 PolarHBondContact O-N 2.8Å; L187-E191 VanDerWaalsContact O-CG 3.22Å; L187-E191 WeakPolarHBondContact O-CG 3.26Å; L187-E191 PolarHBondContact O-N 3Å; L187-T392 HydrophobicContact CD1-CG2 3.82Å; L187-T392 HydrophobicContact CD2-CG2 4.47Å |
| 188 | L | 96.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.6 | -41.3 | 179.6 | -172.2 | 146.9 | 0 | 0 | 0 | 111.8 | N161 D162 A184 G185 K190 E191 L192 L412 | N161-L188 HydrophobicContact CB-CD1 4.12Å; N161-L188 WeakPolarHBondContact O-CB 3.4Å; D162-L188 PolarHBondContact OD1-N 3.13Å; D162-L188 VanDerWaalsContact OD1-N 3.16Å; A184-L188 HydrophobicContact CB-CD2 3.41Å; A184-L188 VanDerWaalsContact CB-CD2 3.41Å; G185-L188 PolarHBondContact O-N 3.07Å; L188-K190 PolarHBondContact O-N 3.29Å; L188-E191 PolarHBondContact O-N 3.32Å; L188-L192 HydrophobicContact CD2-CD1 3.48Å; L188-L192 VanDerWaalsContact CD2-CD1 3.48Å; L188-L192 HydrophobicContact CD2-CG 3.97Å; L188-L192 WeakPolarHBondContact O-CG 3.38Å; L188-L192 PolarHBondContact O-N 3.34Å; L188-L412 HydrophobicContact CD2-CD1 3.81Å |
| 189 | K | 96 | Very high | 94.9 | Very high | 41 Ų | 41 | 37.5 Ų | 37.5 | 18% | 0.178 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -56.9 | -48.3 | 174.6 | -179.3 | -167.8 | -173 | 173.1 | 0 | 111.4 | A7 D9 A184 G185 F186 L187 E191 L192 Q193 | A7-K189 HydrophobicContact CB-CD 3.73Å; A7-K189 HydrophobicContact CB-CG 4.17Å; D9-K189 IonicContact OD1-NZ 2.84Å; D9-K189 PolarHBondContact OD1-NZ 3.23Å; D9-K189 IonicContact OD2-NZ 2.64Å; D9-K189 PolarHBondContact OD2-NZ 2.87Å; A184-K189 HydrophobicContact CB-CB 4.27Å; G185-K189 WeakPolarHBondContact O-CB 3.46Å; G185-K189 PolarHBondContact O-N 2.81Å; F186-K189 HydrophobicContact CD1-CD 4.17Å; L187-K189 PolarHBondContact O-N 3.07Å; K189-E191 PolarHBondContact O-N 2.86Å; K189-L192 PolarHBondContact O-N 2.76Å; K189-Q193 HydrophobicContact CG-CG 4.46Å; K189-Q193 WeakPolarHBondContact O-CB 3.47Å; K189-Q193 VanDerWaalsContact O-CG 3.29Å; K189-Q193 WeakPolarHBondContact O-CG 3.41Å; K189-Q193 PolarHBondContact O-N 2.92Å |
| 190 | K | 94.5 | Very high | 94.4 | Very high | 96 Ų | 96 | 40.6 Ų | 40.6 | 42% | 0.417 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -59.7 | -47.2 | 179.6 | -177.6 | -175.7 | 178.2 | -169 | 0 | 110.8 | F186 L187 L188 L192 Q193 F194 H389 | F186-K190 VanDerWaalsContact O-CB 3.25Å; F186-K190 WeakPolarHBondContact O-CB 3.27Å; F186-K190 PolarHBondContact O-N 2.85Å; L187-K190 PolarHBondContact O-N 2.8Å; L188-K190 PolarHBondContact O-N 3.29Å; K190-L192 PolarHBondContact O-N 3.11Å; K190-Q193 PolarHBondContact O-N 3.45Å; K190-F194 HydrophobicContact CD-CE2 4.47Å; K190-F194 HydrophobicContact CG-CD2 3.9Å; K190-F194 HydrophobicContact CG-CE2 3.89Å; K190-F194 WeakPolarHBondContact O-CD2 3.31Å; K190-F194 PolarHBondContact O-N 3.41Å; K190-F194 VanDerWaalsContact O-N 3.09Å; K190-H389 WeakPolarHBondContact CE-ND1 3.04Å |
| 191 | E | 94.6 | Very high | 94 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -55.4 | -52.3 | 176.8 | -65.2 | -87.3 | -163.8 | 0 | 0 | 110.8 | F164 L187 L188 K189 Q193 F194 F195 H389 S391 T392 | F164-E191 HydrophobicContact CB-CB 4.24Å; F164-E191 HydrophobicContact CB-CG 3.78Å; F164-E191 HydrophobicContact CD1-CB 3.9Å; F164-E191 HydrophobicContact CD1-CG 3.57Å; F164-E191 WeakPolarHBondContact CD1-OE1 3.19Å; F164-E191 HydrophobicContact CD2-CB 3.58Å; F164-E191 HydrophobicContact CD2-CG 4.03Å; F164-E191 HydrophobicContact CE1-CB 4.12Å; F164-E191 HydrophobicContact CE1-CG 4.13Å; F164-E191 WeakPolarHBondContact CE1-OE2 3.46Å; F164-E191 HydrophobicContact CE2-CB 3.82Å; F164-E191 HydrophobicContact CG-CB 3.63Å; F164-E191 HydrophobicContact CG-CG 3.51Å; F164-E191 HydrophobicContact CZ-CB 4.08Å; L187-E191 VanDerWaalsContact O-CG 3.22Å; L187-E191 WeakPolarHBondContact O-CG 3.26Å; L187-E191 PolarHBondContact O-N 3Å; L188-E191 PolarHBondContact O-N 3.32Å; K189-E191 PolarHBondContact O-N 2.86Å; E191-Q193 VanDerWaalsContact C-N 3.34Å; E191-Q193 PolarHBondContact O-N 2.78Å; E191-F194 PolarHBondContact O-N 3Å; E191-F195 WeakPolarHBondContact O-CD2 3.48Å; E191-F195 PolarHBondContact O-N 2.86Å; E191-H389 VanDerWaalsContact CD-NE2 3.35Å; E191-H389 IonicContact OE1-NE2 3.81Å; E191-H389 IonicContact OE2-CD2 2.78Å; E191-H389 IonicContact OE2-CE1 2.61Å; E191-H389 IonicContact OE2-NE2 2.76Å; E191-H389 PolarHBondContact OE2-NE2 3.46Å; E191-S391 WeakPolarHBondContact OE1-CA 3.42Å; E191-S391 WeakPolarHBondContact OE2-CA 3.29Å; E191-S391 WeakPolarHBondContact OE2-CB 3.5Å; E191-T392 PolarHBondContact OE1-N 3.26Å; E191-T392 PolarHBondContact OE1-OG1 3.33Å |
| 192 | L | 93.6 | Very high | 93.8 | Very high | 6 Ų | 6 | 38 Ų | 38 | 3% | 0.031 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.4 | -40 | 178.9 | -66.7 | -177.1 | 0 | 0 | 0 | 113 | L3 K5 L188 K189 K190 A196 V409 | L3-L192 HydrophobicContact CB-CD2 4.42Å; L3-L192 HydrophobicContact CD2-CD2 3.85Å; K5-L192 HydrophobicContact CB-CD1 4.44Å; K5-L192 HydrophobicContact CG-CD1 4.28Å; L188-L192 HydrophobicContact CD2-CD1 3.48Å; L188-L192 VanDerWaalsContact CD2-CD1 3.48Å; L188-L192 HydrophobicContact CD2-CG 3.97Å; L188-L192 WeakPolarHBondContact O-CG 3.38Å; L188-L192 PolarHBondContact O-N 3.34Å; K189-L192 PolarHBondContact O-N 2.76Å; K190-L192 PolarHBondContact O-N 3.11Å; L192-A196 WeakPolarHBondContact O-CB 3.46Å; L192-A196 PolarHBondContact O-N 3.42Å; L192-V409 HydrophobicContact CD1-CG1 3.85Å; L192-V409 HydrophobicContact CD2-CG1 3.96Å; L192-V409 HydrophobicContact CD2-CG2 3.95Å |
| 193 | Q | 92.8 | Very high | 93.7 | Very high | 112 Ų | 112 | 39.1 Ų | 39.1 | 52% | 0.523 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -63.5 | -45.4 | 179 | -75.9 | 175.8 | -34.1 | 0 | 0 | 112.1 | K189 K190 E191 A196 K197 | K189-Q193 HydrophobicContact CG-CG 4.46Å; K189-Q193 WeakPolarHBondContact O-CB 3.47Å; K189-Q193 VanDerWaalsContact O-CG 3.29Å; K189-Q193 WeakPolarHBondContact O-CG 3.41Å; K189-Q193 PolarHBondContact O-N 2.92Å; K190-Q193 PolarHBondContact O-N 3.45Å; E191-Q193 VanDerWaalsContact C-N 3.34Å; E191-Q193 PolarHBondContact O-N 2.78Å; Q193-A196 PolarHBondContact O-N 3.14Å; Q193-K197 WeakPolarHBondContact O-CB 3.34Å; Q193-K197 PolarHBondContact O-N 3.42Å |
| 194 | F | 92.9 | Very high | 93.7 | Very high | 48 Ų | 48 | 45.2 Ų | 45.2 | 21% | 0.211 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.7 | -46.9 | 177.8 | -87.4 | -78.4 | 0 | 0 | 0 | 111.6 | K190 E191 A196 K197 A198 T366 I368 S388 H389 | K190-F194 HydrophobicContact CD-CE2 4.47Å; K190-F194 HydrophobicContact CG-CD2 3.9Å; K190-F194 HydrophobicContact CG-CE2 3.89Å; K190-F194 WeakPolarHBondContact O-CD2 3.31Å; K190-F194 PolarHBondContact O-N 3.41Å; K190-F194 VanDerWaalsContact O-N 3.09Å; E191-F194 PolarHBondContact O-N 3Å; F194-A196 PolarHBondContact O-N 3.43Å; F194-K197 PolarHBondContact O-N 3.15Å; F194-A198 PolarHBondContact O-N 3.47Å; F194-T366 HydrophobicContact CD1-CG2 4.39Å; F194-T366 HydrophobicContact CE1-CG2 4.47Å; F194-I368 HydrophobicContact CB-CD1 3.98Å; F194-I368 HydrophobicContact CB-CG1 4.31Å; F194-I368 HydrophobicContact CD1-CD1 4.42Å; F194-I368 HydrophobicContact CD1-CG1 4.17Å; F194-I368 WeakPolarHBondContact O-CD1 3.4Å; F194-S388 WeakPolarHBondContact CZ-O 3.49Å; F194-H389 HydrophobicContact CB-CB 4.29Å; F194-H389 HydrophobicContact CD1-CB 3.59Å; F194-H389 HydrophobicContact CD2-CB 3.73Å; F194-H389 AromaticContact CD2-CG 3.56Å; F194-H389 AromaticContact CD2-ND1 3.8Å; F194-H389 HydrophobicContact CE1-CB 3.74Å; F194-H389 HydrophobicContact CE2-CB 3.88Å; F194-H389 HydrophobicContact CG-CB 3.59Å; F194-H389 AromaticContact CG-CD2 3.94Å; F194-H389 AromaticContact CG-CG 3.68Å; F194-H389 HydrophobicContact CZ-CB 3.88Å |
| 195 | F | 92.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -67.3 | -36.3 | 178.2 | -76.9 | -69.9 | 0 | 0 | 0 | 112.8 | F164 E191 A198 L199 I368 S397 L400 L401 | F164-F195 HydrophobicContact CE1-CE2 4.12Å; F164-F195 HydrophobicContact CZ-CD2 4.08Å; F164-F195 AromaticContact CZ-CE2 3.81Å; F164-F195 HydrophobicContact CZ-CE2 3.81Å; E191-F195 WeakPolarHBondContact O-CD2 3.48Å; E191-F195 PolarHBondContact O-N 2.86Å; F195-A198 PolarHBondContact O-N 2.92Å; F195-L199 HydrophobicContact CB-CD1 4.43Å; F195-L199 HydrophobicContact CD1-CD1 4.45Å; F195-L199 WeakPolarHBondContact O-CB 3.48Å; F195-L199 WeakPolarHBondContact O-CG 3.47Å; F195-L199 PolarHBondContact O-N 3.46Å; F195-I368 HydrophobicContact CE1-CG2 3.87Å; F195-I368 HydrophobicContact CZ-CG2 3.89Å; F195-S397 VanDerWaalsContact CZ-CB 3.4Å; F195-L400 HydrophobicContact CB-CD2 3.44Å; F195-L400 VanDerWaalsContact CB-CD2 3.44Å; F195-L400 HydrophobicContact CB-CG 4.3Å; F195-L400 HydrophobicContact CD1-CD2 4.12Å; F195-L400 HydrophobicContact CD2-CD2 3.64Å; F195-L400 HydrophobicContact CE2-CD2 4.47Å; F195-L400 HydrophobicContact CG-CD2 3.46Å; F195-L400 VanDerWaalsContact CG-CD2 3.46Å; F195-L400 HydrophobicContact CG-CG 4.34Å; F195-L401 HydrophobicContact CD1-CD2 3.9Å; F195-L401 HydrophobicContact CD1-CG 4.3Å; F195-L401 HydrophobicContact CE1-CD1 4.19Å; F195-L401 HydrophobicContact CE1-CD2 3.77Å; F195-L401 HydrophobicContact CE1-CG 3.84Å |
| 196 | A | 90.6 | Very high | 93.7 | Very high | 21 Ų | 21 | 47.1 Ų | 47.1 | 17% | 0.174 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.1 | -43.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | L3 L192 Q193 F194 A198 L199 E200 | L3-A196 HydrophobicContact CB-CB 4.23Å; L3-A196 HydrophobicContact CD1-CB 3.9Å; L192-A196 WeakPolarHBondContact O-CB 3.46Å; L192-A196 PolarHBondContact O-N 3.42Å; Q193-A196 PolarHBondContact O-N 3.14Å; F194-A196 PolarHBondContact O-N 3.43Å; A196-A198 VanDerWaalsContact C-N 3.33Å; A196-A198 PolarHBondContact O-N 3.26Å; A196-L199 PolarHBondContact O-N 3.03Å; A196-E200 WeakPolarHBondContact O-CA 3.4Å; A196-E200 VanDerWaalsContact O-CB 3.28Å; A196-E200 WeakPolarHBondContact O-CB 3.41Å; A196-E200 PolarHBondContact O-N 3.13Å |
| 197 | K | 88.9 | Confident | 93.7 | Very high | 78 Ų | 78 | 44.6 Ų | 44.6 | 34% | 0.339 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -57.5 | -46.5 | 175.1 | -170 | -178.3 | 179.4 | -166.8 | 0 | 110.9 | Q193 F194 N201 P202 E203 T366 | Q193-K197 WeakPolarHBondContact O-CB 3.34Å; Q193-K197 PolarHBondContact O-N 3.42Å; F194-K197 PolarHBondContact O-N 3.15Å; K197-N201 CarbonylContact O-C 3.55Å; K197-N201 PolarHBondContact O-N 3.05Å; K197-N201 VanDerWaalsContact O-O 3.08Å; K197-P202 WeakPolarHBondContact O-CA 3.35Å; K197-E203 WeakPolarHBondContact CE-OE1 3.42Å; K197-E203 IonicContact NZ-OE1 3.79Å; K197-E203 PolarHBondContact NZ-OE1 3.14Å; K197-T366 HydrophobicContact CD-CG2 4.34Å; K197-T366 PolarHBondContact NZ-OG1 3.26Å |
| 198 | A | 89.8 | Confident | 93.8 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -76.3 | -34.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | F194 F195 A196 P202 F206 T331 V333 I368 | F194-A198 PolarHBondContact O-N 3.47Å; F195-A198 PolarHBondContact O-N 2.92Å; A196-A198 VanDerWaalsContact C-N 3.33Å; A196-A198 PolarHBondContact O-N 3.26Å; A198-P202 VanDerWaalsContact O-CB 3.32Å; A198-P202 WeakPolarHBondContact O-CB 3.45Å; A198-P202 WeakPolarHBondContact O-CG 3.22Å; A198-F206 HydrophobicContact CB-CZ 4.41Å; A198-F206 VanDerWaalsContact O-CE1 3.24Å; A198-F206 WeakPolarHBondContact O-CE1 3.4Å; A198-T331 HydrophobicContact CB-CG2 3.9Å; A198-V333 HydrophobicContact CB-CG2 4.01Å; A198-I368 HydrophobicContact CB-CD1 3.45Å; A198-I368 VanDerWaalsContact CB-CD1 3.45Å |
| 199 | L | 88.7 | Confident | 93.9 | Very high | 15 Ų | 15 | 43.6 Ų | 43.6 | 8% | 0.079 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -97.3 | -23.7 | -172.3 | -65.4 | 176.6 | 0 | 0 | 0 | 114.4 | F195 A196 L225 K228 L400 L401 | F195-L199 HydrophobicContact CB-CD1 4.43Å; F195-L199 HydrophobicContact CD1-CD1 4.45Å; F195-L199 WeakPolarHBondContact O-CB 3.48Å; F195-L199 WeakPolarHBondContact O-CG 3.47Å; F195-L199 PolarHBondContact O-N 3.46Å; A196-L199 PolarHBondContact O-N 3.03Å; L199-L225 HydrophobicContact CD2-CD2 4.23Å; L199-K228 HydrophobicContact CD2-CD 4.12Å; L199-K228 PolarHBondContact O-NZ 2.72Å; L199-L400 HydrophobicContact CD1-CG 4.17Å; L199-L401 HydrophobicContact CD1-CD2 4.24Å; L199-L401 HydrophobicContact CD2-CD2 3.92Å; L199-L401 HydrophobicContact CG-CD2 4.34Å |
| 200 | E | 89.4 | Confident | 93.9 | Very high | 90 Ų | 90 | 41.8 Ų | 41.8 | 42% | 0.421 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -102.7 | -45.8 | 178.9 | -56.6 | -169.4 | 167.7 | 0 | 0 | 111.4 | M1 A196 | M1-E200 PolarHBondContact N-OE1 2.86Å; M1-E200 PolarHBondContact N-OE2 3.47Å; A196-E200 WeakPolarHBondContact O-CA 3.4Å; A196-E200 VanDerWaalsContact O-CB 3.28Å; A196-E200 WeakPolarHBondContact O-CB 3.41Å; A196-E200 PolarHBondContact O-N 3.13Å |
| 201 | N | 88.2 | Confident | 93.9 | Very high | 126 Ų | 126 | 37.3 Ų | 37.3 | 67% | 0.674 | 18% | 0.181 | S | C | * | . | S | Bend | trans | -137.9 | 59.6 | -175.2 | -61.8 | -68.1 | 0 | 0 | 0 | 113.6 | K197 | K197-N201 CarbonylContact O-C 3.55Å; K197-N201 PolarHBondContact O-N 3.05Å; K197-N201 VanDerWaalsContact O-O 3.08Å |
| 202 | P | 93.9 | Very high | 93.7 | Very high | 21 Ų | 21 | 38.7 Ų | 38.7 | 14% | 0.136 | 20% | 0.196 | C | C | . | . | trans | -69.7 | 141.9 | -177.4 | 26.4 | -33 | 0 | 0 | 0 | 112.4 | K197 A198 F206 T331 | K197-P202 WeakPolarHBondContact O-CA 3.35Å; A198-P202 VanDerWaalsContact O-CB 3.32Å; A198-P202 WeakPolarHBondContact O-CB 3.45Å; A198-P202 WeakPolarHBondContact O-CG 3.22Å; P202-F206 HydrophobicContact CB-CB 4.1Å; P202-F206 HydrophobicContact CB-CD1 3.82Å; P202-F206 HydrophobicContact CB-CE1 4.4Å; P202-F206 HydrophobicContact CB-CG 3.92Å; P202-F206 HydrophobicContact CG-CB 4.38Å; P202-F206 HydrophobicContact CG-CD1 3.71Å; P202-F206 HydrophobicContact CG-CE1 4.32Å; P202-F206 HydrophobicContact CG-CG 4.24Å; P202-T331 HydrophobicContact CB-CG2 4.2Å | ||
| 203 | E | 96.5 | Very high | 93.7 | Very high | 88 Ų | 88 | 40.8 Ų | 40.8 | 41% | 0.411 | 21% | 0.214 | S | C | . | . | trans | -70.5 | 135.5 | 163.7 | -67 | 172.9 | -137.3 | 0 | 0 | 109.1 | K197 K330 T331 | K197-E203 WeakPolarHBondContact CE-OE1 3.42Å; K197-E203 IonicContact NZ-OE1 3.79Å; K197-E203 PolarHBondContact NZ-OE1 3.14Å; E203-K330 HydrophobicContact CB-CB 3.78Å; E203-T331 PolarHBondContact N-OG1 3.21Å; E203-T331 VanDerWaalsContact N-OG1 3.08Å; E203-T331 VanDerWaalsContact O-CB 3.32Å; E203-T331 WeakPolarHBondContact O-CB 3.37Å; E203-T331 PolarHBondContact O-N 3.36Å; E203-T331 PolarHBondContact O-OG1 3.48Å | ||
| 204 | R | 97.8 | Very high | 93.6 | Very high | 129 Ų | 129 | 40.7 Ų | 40.7 | 49% | 0.487 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -107.8 | 147.1 | -171.4 | -65.7 | -175.4 | 179.2 | -78.9 | -0.8 | 112.3 | K228 N230 K330 | R204-K228 PolarHBondContact NH1-O 3.1Å; R204-K228 PolarHBondContact NH2-O 3.15Å; R204-K228 VanDerWaalsContact NH2-O 3.07Å; R204-N230 WeakPolarHBondContact CG-OD1 3.49Å; R204-N230 PolarHBondContact NH1-OD1 3.19Å; R204-K330 WeakPolarHBondContact O-CG 3.49Å |
| 205 | P | 98 | Very high | 93.4 | Very high | 42 Ų | 42 | 38.4 Ų | 38.4 | 27% | 0.273 | 20% | 0.202 | S | C | . | . | S | Bend | cis | -68.4 | 133.9 | 5.8 | -21.1 | 33.9 | 0 | 0 | 0 | 113.9 | N230 R328 A329 K330 T331 | P205-N230 HydrophobicContact CB-CB 4.2Å; P205-R328 WeakPolarHBondContact CD-O 3.45Å; P205-A329 WeakPolarHBondContact O-CA 3.38Å; P205-K330 PolarHBondContact O-N 3.34Å; P205-T331 PolarHBondContact O-N 3.37Å |
| 206 | F | 98.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 119.9 | 173.1 | 179.5 | -160.7 | 0 | 0 | 0 | 108.9 | A198 P202 K228 V229 N230 E231 T331 V333 | A198-F206 HydrophobicContact CB-CZ 4.41Å; A198-F206 VanDerWaalsContact O-CE1 3.24Å; A198-F206 WeakPolarHBondContact O-CE1 3.4Å; P202-F206 HydrophobicContact CB-CB 4.1Å; P202-F206 HydrophobicContact CB-CD1 3.82Å; P202-F206 HydrophobicContact CB-CE1 4.4Å; P202-F206 HydrophobicContact CB-CG 3.92Å; P202-F206 HydrophobicContact CG-CB 4.38Å; P202-F206 HydrophobicContact CG-CD1 3.71Å; P202-F206 HydrophobicContact CG-CE1 4.32Å; P202-F206 HydrophobicContact CG-CG 4.24Å; F206-K228 HydrophobicContact CD1-CB 4.36Å; F206-K228 HydrophobicContact CE1-CB 4.11Å; F206-V229 HydrophobicContact CD1-CB 4.34Å; F206-V229 HydrophobicContact CD1-CG1 3.73Å; F206-V229 HydrophobicContact CD2-CG1 4.28Å; F206-V229 HydrophobicContact CE1-CG1 3.71Å; F206-V229 HydrophobicContact CE2-CG1 4.25Å; F206-V229 HydrophobicContact CG-CB 4.45Å; F206-V229 HydrophobicContact CG-CG1 4.02Å; F206-V229 HydrophobicContact CZ-CG1 3.98Å; F206-V229 WeakPolarHBondContact O-CB 3.18Å; F206-N230 PolarHBondContact N-OD1 3.33Å; F206-N230 PolarHBondContact O-N 3.12Å; F206-E231 PolarHBondContact O-N 3.01Å; F206-T331 WeakPolarHBondContact CA-O 3.38Å; F206-T331 HydrophobicContact CD2-CG2 3.69Å; F206-T331 WeakPolarHBondContact CD2-O 3.39Å; F206-T331 HydrophobicContact CE2-CG2 3.83Å; F206-T331 HydrophobicContact CG-CG2 4.45Å; F206-V333 HydrophobicContact CE2-CB 4.11Å; F206-V333 HydrophobicContact CE2-CG2 3.74Å; F206-V333 HydrophobicContact CZ-CB 4.37Å; F206-V333 HydrophobicContact CZ-CG2 3.84Å |
| 207 | L | 98.7 | Very high | 93.3 | Very high | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 131.9 | 178.6 | 171 | 65.3 | 0 | 0 | 0 | 110.9 | I209 E231 I233 I326 A329 T331 I332 V333 | L207-I209 HydrophobicContact CD2-CD1 4.23Å; L207-I209 HydrophobicContact CD2-CG1 4.03Å; L207-I209 HydrophobicContact CG-CG1 4.01Å; L207-E231 WeakPolarHBondContact CA-O 3.5Å; L207-E231 HydrophobicContact CD1-CB 3.8Å; L207-E231 WeakPolarHBondContact CD1-O 3.19Å; L207-I233 HydrophobicContact CD1-CD1 4.17Å; L207-I233 HydrophobicContact CD1-CG1 4.07Å; L207-I233 HydrophobicContact CD2-CD1 4.13Å; L207-I326 HydrophobicContact CD2-CB 4.38Å; L207-I326 HydrophobicContact CD2-CG1 3.76Å; L207-A329 HydrophobicContact CB-CB 3.75Å; L207-A329 HydrophobicContact CD2-CB 4.22Å; L207-T331 PolarHBondContact N-O 3.45Å; L207-I332 HydrophobicContact CB-CG1 4.26Å; L207-I332 HydrophobicContact CD2-CD1 4.42Å; L207-I332 HydrophobicContact CD2-CG1 4.26Å; L207-I332 WeakPolarHBondContact O-CA 3.43Å; L207-V333 PolarHBondContact O-N 3.39Å |
| 208 | A | 98 | Very high | 93.4 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 136.1 | 161.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | L225 V229 E231 M232 I233 V333 | A208-L225 HydrophobicContact CB-CD1 3.87Å; A208-V229 HydrophobicContact CB-CG1 3.79Å; A208-E231 PolarHBondContact N-O 3.1Å; A208-M232 HydrophobicContact CB-CE 4.27Å; A208-M232 HydrophobicContact CB-CG 4.31Å; A208-M232 CarbonylContact O-C 3.59Å; A208-M232 VanDerWaalsContact O-CA 3.28Å; A208-M232 WeakPolarHBondContact O-CA 3.36Å; A208-I233 PolarHBondContact O-N 2.85Å; A208-V333 CarbonylContact C-O 3.53Å; A208-V333 WeakPolarHBondContact CA-O 3.35Å |
| 209 | I | 98.2 | Very high | 93.6 | Very high | 2 Ų | 2 | 43.6 Ų | 43.6 | 1% | 0.01 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 115.4 | 172.5 | -51.7 | 179.1 | 0 | 0 | 0 | 107.4 | L207 I233 I326 I332 V333 W334 N335 M353 V357 | L207-I209 HydrophobicContact CD2-CD1 4.23Å; L207-I209 HydrophobicContact CD2-CG1 4.03Å; L207-I209 HydrophobicContact CG-CG1 4.01Å; I209-I233 HydrophobicContact CD1-CD1 4.49Å; I209-I233 HydrophobicContact CG1-CB 4.43Å; I209-I233 HydrophobicContact CG1-CD1 4.21Å; I209-I233 HydrophobicContact CG2-CB 4.24Å; I209-I233 HydrophobicContact CG2-CG2 4.1Å; I209-I326 HydrophobicContact CD1-CD1 3.93Å; I209-I326 HydrophobicContact CD1-CG1 3.87Å; I209-I332 HydrophobicContact CD1-CG2 3.78Å; I209-I332 HydrophobicContact CG1-CG2 4.08Å; I209-V333 PolarHBondContact N-O 2.88Å; I209-W334 HydrophobicContact CB-CB 4.11Å; I209-W334 HydrophobicContact CB-CG 3.89Å; I209-W334 HydrophobicContact CD1-CB 4.35Å; I209-W334 HydrophobicContact CD1-CD2 4.46Å; I209-W334 HydrophobicContact CD1-CG 4.24Å; I209-W334 HydrophobicContact CG2-CG 4.03Å; I209-W334 WeakPolarHBondContact O-CA 3.45Å; I209-N335 PolarHBondContact O-N 3.29Å; I209-M353 HydrophobicContact CD1-CG 4.44Å; I209-M353 HydrophobicContact CD1-SD 4.35Å; I209-M353 HydrophobicContact CG2-CE 4.06Å; I209-M353 HydrophobicContact CG2-SD 3.43Å; I209-M353 WeakPolarHBondContact CG2-SD 3.05Å; I209-V357 HydrophobicContact CD1-CG2 4.09Å |
| 210 | L | 96.8 | Very high | 93.8 | Very high | 2 Ų | 2 | 48.3 Ų | 48.3 | 1% | 0.01 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 131.2 | -175.4 | -55.9 | -176.8 | 0 | 0 | 0 | 109.7 | L221 I222 L225 M232 I233 I234 G235 M238 N335 | L210-L221 HydrophobicContact CD1-CD2 4.47Å; L210-L221 HydrophobicContact CD2-CD2 3.64Å; L210-L221 HydrophobicContact CD2-CG 4.2Å; L210-I222 HydrophobicContact CD1-CG1 3.63Å; L210-L225 HydrophobicContact CD1-CD1 4.35Å; L210-L225 HydrophobicContact CD2-CD1 3.91Å; L210-M232 HydrophobicContact CD1-CE 4.06Å; L210-M232 HydrophobicContact CD1-CG 4.29Å; L210-M232 HydrophobicContact CD1-SD 3.76Å; L210-I233 PolarHBondContact N-O 3.04Å; L210-I234 WeakPolarHBondContact O-CA 3.44Å; L210-G235 PolarHBondContact O-N 2.71Å; L210-M238 HydrophobicContact CB-CE 3.45Å; L210-M238 VanDerWaalsContact CB-CE 3.45Å; L210-M238 WeakPolarHBondContact O-CE 3.46Å; L210-N335 WeakPolarHBondContact CA-O 3.43Å; L210-N335 HydrophobicContact CD2-CB 4.26Å |
| 211 | G | 94.1 | Very high | 94 | Very high | 2 Ų | 2 | 44 Ų | 44 | 2% | 0.021 | 24% | 0.235 | C | C | . | . | trans | -130.6 | 171.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | M238 N335 G336 | G211-M238 VanDerWaalsContact CA-CE 3.49Å; G211-N335 PolarHBondContact N-O 3.18Å; G211-G336 PolarHBondContact N-O 2.86Å | ||
| 212 | G | 91.4 | Very high | 94.4 | Very high | 30 Ų | 30 | 38.1 Ų | 38.1 | 31% | 0.309 | 20% | 0.204 | S | C | . | . | trans | 142.2 | 177.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | G236 G237 M238 | G212-G236 CarbonylContact O-C 3.59Å; G212-G237 WeakPolarHBondContact O-CA 3.48Å; G212-G237 PolarHBondContact O-N 3.43Å; G212-M238 PolarHBondContact O-N 2.82Å | ||
| 213 | A | 92.2 | Very high | 94.5 | Very high | 50 Ų | 50 | 39.8 Ų | 39.8 | 41% | 0.413 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -84.9 | -41.3 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | G237 M238 L255 | A213-G237 CarbonylContact O-C 3.51Å; A213-M238 PolarHBondContact O-N 3.21Å; A213-L255 HydrophobicContact CB-CD1 3.77Å |
| 214 | K | 90.8 | Very high | 94.4 | Very high | 110 Ų | 110 | 37.2 Ų | 37.2 | 48% | 0.478 | 20% | 0.198 | S | C | . | . | trans | -127.3 | 142 | -171.5 | -64.1 | -178 | -179.3 | -178.4 | 0 | 111.1 | D257 | K214-D257 HydrophobicContact CB-CB 4.36Å; K214-D257 HydrophobicContact CG-CB 4.46Å | ||
| 215 | V | 89.9 | Confident | 94.3 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -73.4 | -37.8 | 175.3 | -177.7 | 0 | 0 | 0 | 0 | 109.9 | D217 K218 I219 I222 M238 T241 F242 D257 I263 L267 | V215-D217 VanDerWaalsContact C-N 3.27Å; V215-D217 PolarHBondContact O-N 2.89Å; V215-K218 CarbonylContact O-C 3.47Å; V215-K218 WeakPolarHBondContact O-CA 3.11Å; V215-K218 PolarHBondContact O-N 3.44Å; V215-I219 WeakPolarHBondContact O-CG1 3.44Å; V215-I219 PolarHBondContact O-N 3.37Å; V215-I222 HydrophobicContact CG1-CD1 4.16Å; V215-M238 HydrophobicContact CG2-CB 3.82Å; V215-T241 HydrophobicContact CG2-CG2 4.05Å; V215-F242 HydrophobicContact CG1-CE2 4.03Å; V215-F242 HydrophobicContact CG2-CD2 4.1Å; V215-F242 HydrophobicContact CG2-CE2 3.79Å; V215-D257 WeakPolarHBondContact CA-OD2 3.33Å; V215-D257 PolarHBondContact N-OD2 2.89Å; V215-I263 HydrophobicContact CG1-CD1 4.28Å; V215-L267 HydrophobicContact CG1-CD1 4.11Å |
| 216 | A | 91.1 | Very high | 94.3 | Very high | 35 Ų | 35 | 29.2 Ų | 29.2 | 29% | 0.289 | 16% | 0.162 | S | C | . | . | G | 310 helix | trans | -54.9 | -40.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | K218 I219 D257 E259 | A216-K218 PolarHBondContact O-N 2.72Å; A216-I219 HydrophobicContact CB-CD1 4.4Å; A216-I219 WeakPolarHBondContact O-CG1 3.48Å; A216-D257 VanDerWaalsContact CB-OD2 3.31Å; A216-D257 WeakPolarHBondContact CB-OD2 3.44Å; A216-D257 PolarHBondContact N-OD2 2.72Å; A216-E259 HydrophobicContact CB-CB 4.45Å |
| 217 | D | 89.4 | Confident | 94.2 | Very high | 108 Ų | 108 | 33.6 Ų | 33.6 | 58% | 0.578 | 19% | 0.186 | S | C | * | . | G | 310 helix | trans | -72.5 | -11.8 | 178.5 | -60.9 | -23.5 | 0 | 0 | 0 | 112.6 | V215 | V215-D217 VanDerWaalsContact C-N 3.27Å; V215-D217 PolarHBondContact O-N 2.89Å |
| 218 | K | 90.6 | Very high | 94.1 | Very high | 29 Ų | 29 | 36.3 Ų | 36.3 | 13% | 0.126 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -123.3 | 8.3 | -174.5 | -62.6 | -65.1 | -172.9 | 172.9 | 0 | 113.5 | V215 A216 Q220 L221 I222 M238 N335 L398 | V215-K218 CarbonylContact O-C 3.47Å; V215-K218 WeakPolarHBondContact O-CA 3.11Å; V215-K218 PolarHBondContact O-N 3.44Å; A216-K218 PolarHBondContact O-N 2.72Å; K218-Q220 VanDerWaalsContact C-N 3.34Å; K218-Q220 PolarHBondContact O-N 3.18Å; K218-L221 HydrophobicContact CD-CD2 3.83Å; K218-L221 WeakPolarHBondContact O-CB 3.42Å; K218-L221 PolarHBondContact O-N 3.09Å; K218-L221 VanDerWaalsContact O-N 3.14Å; K218-I222 HydrophobicContact CB-CD1 4.24Å; K218-I222 HydrophobicContact CB-CG1 4.48Å; K218-I222 WeakPolarHBondContact O-CG1 3.4Å; K218-I222 PolarHBondContact O-N 3.25Å; K218-M238 HydrophobicContact CG-SD 4.45Å; K218-N335 PolarHBondContact NZ-OD1 2.98Å; K218-L398 HydrophobicContact CD-CD1 4.22Å; K218-L398 VanDerWaalsContact NZ-CD1 3.3Å |
| 219 | I | 93.1 | Very high | 94.1 | Very high | 36 Ų | 36 | 36.6 Ų | 36.6 | 19% | 0.185 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -55.8 | -50.4 | -176.3 | -60.9 | 177 | 0 | 0 | 0 | 111.1 | V215 A216 L221 I222 K223 I263 | V215-I219 WeakPolarHBondContact O-CG1 3.44Å; V215-I219 PolarHBondContact O-N 3.37Å; A216-I219 HydrophobicContact CB-CD1 4.4Å; A216-I219 WeakPolarHBondContact O-CG1 3.48Å; I219-L221 VanDerWaalsContact C-N 3.28Å; I219-L221 PolarHBondContact O-N 3.47Å; I219-I222 PolarHBondContact O-N 2.94Å; I219-K223 HydrophobicContact CG2-CD 3.93Å; I219-K223 HydrophobicContact CG2-CG 4.3Å; I219-K223 WeakPolarHBondContact O-CB 3.44Å; I219-K223 WeakPolarHBondContact O-CG 3.06Å; I219-K223 PolarHBondContact O-N 3.33Å; I219-I263 HydrophobicContact CB-CD1 4.16Å; I219-I263 HydrophobicContact CD1-CD1 3.41Å; I219-I263 VanDerWaalsContact CD1-CD1 3.41Å; I219-I263 HydrophobicContact CD1-CG1 4.5Å; I219-I263 HydrophobicContact CG1-CD1 3.38Å; I219-I263 HydrophobicContact CG2-CD1 3.79Å |
| 220 | Q | 93 | Very high | 94.1 | Very high | 113 Ų | 113 | 39.1 Ų | 39.1 | 53% | 0.528 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -64.4 | -38.1 | -177.6 | -62.1 | -58.9 | -18.4 | 0 | 0 | 111.1 | K218 N224 E402 | K218-Q220 VanDerWaalsContact C-N 3.34Å; K218-Q220 PolarHBondContact O-N 3.18Å; Q220-N224 VanDerWaalsContact O-CB 3.3Å; Q220-N224 WeakPolarHBondContact O-CB 3.25Å; Q220-N224 PolarHBondContact O-N 3.49Å; Q220-E402 HydrophobicContact CB-CB 4.27Å; Q220-E402 HydrophobicContact CB-CG 4.17Å |
| 221 | L | 93.9 | Very high | 94.2 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.9 | -52.1 | 176.5 | 178.3 | 65 | 0 | 0 | 0 | 110.8 | L210 K218 I219 N224 L225 L398 L401 E402 | L210-L221 HydrophobicContact CD1-CD2 4.47Å; L210-L221 HydrophobicContact CD2-CD2 3.64Å; L210-L221 HydrophobicContact CD2-CG 4.2Å; K218-L221 HydrophobicContact CD-CD2 3.83Å; K218-L221 WeakPolarHBondContact O-CB 3.42Å; K218-L221 PolarHBondContact O-N 3.09Å; K218-L221 VanDerWaalsContact O-N 3.14Å; I219-L221 VanDerWaalsContact C-N 3.28Å; I219-L221 PolarHBondContact O-N 3.47Å; L221-N224 PolarHBondContact O-N 3.36Å; L221-L225 HydrophobicContact CD1-CD1 3.57Å; L221-L225 HydrophobicContact CD1-CG 4.05Å; L221-L225 HydrophobicContact CG-CD1 3.88Å; L221-L225 WeakPolarHBondContact O-CB 3.44Å; L221-L225 VanDerWaalsContact O-CG 3.31Å; L221-L225 WeakPolarHBondContact O-CG 3.26Å; L221-L225 PolarHBondContact O-N 3.23Å; L221-L398 HydrophobicContact CB-CD1 4.4Å; L221-L398 HydrophobicContact CD1-CD1 4.28Å; L221-L398 HydrophobicContact CD2-CD1 3.69Å; L221-L398 HydrophobicContact CG-CD1 4.35Å; L221-L401 HydrophobicContact CD1-CB 3.33Å; L221-L401 HydrophobicContact CD1-CD1 4.43Å; L221-L401 HydrophobicContact CD1-CG 4.49Å; L221-E402 HydrophobicContact CB-CG 3.78Å; L221-E402 HydrophobicContact CD1-CG 4.34Å |
| 222 | I | 96.2 | Very high | 94.4 | Very high | 2 Ų | 2 | 39.9 Ų | 39.9 | 1% | 0.01 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.6 | -49.7 | -179.9 | -63.6 | 163.7 | 0 | 0 | 0 | 109.5 | L210 V215 K218 I219 N224 L225 L226 M232 L267 | L210-I222 HydrophobicContact CD1-CG1 3.63Å; V215-I222 HydrophobicContact CG1-CD1 4.16Å; K218-I222 HydrophobicContact CB-CD1 4.24Å; K218-I222 HydrophobicContact CB-CG1 4.48Å; K218-I222 WeakPolarHBondContact O-CG1 3.4Å; K218-I222 PolarHBondContact O-N 3.25Å; I219-I222 PolarHBondContact O-N 2.94Å; I222-N224 PolarHBondContact O-N 3Å; I222-L225 PolarHBondContact O-N 3.39Å; I222-L226 HydrophobicContact CG2-CD1 3.78Å; I222-L226 HydrophobicContact CG2-CG 4.06Å; I222-L226 WeakPolarHBondContact O-CB 3.41Å; I222-L226 VanDerWaalsContact O-CG 3.23Å; I222-L226 WeakPolarHBondContact O-CG 3.4Å; I222-L226 PolarHBondContact O-N 3.27Å; I222-M232 HydrophobicContact CG2-CE 4.39Å; I222-M232 HydrophobicContact CG2-SD 4.05Å; I222-L267 HydrophobicContact CD1-CD1 4.25Å; I222-L267 HydrophobicContact CG2-CD1 4.11Å; I222-L267 HydrophobicContact CG2-CD2 4.02Å; I222-L267 HydrophobicContact CG2-CG 4.49Å |
| 223 | K | 95.8 | Very high | 94.8 | Very high | 55 Ų | 55 | 38.4 Ų | 38.4 | 24% | 0.239 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58 | -47.9 | -179.4 | -75.9 | -173.7 | 173.4 | -168.6 | 0 | 112.1 | I219 E266 L267 K270 | I219-K223 HydrophobicContact CG2-CD 3.93Å; I219-K223 HydrophobicContact CG2-CG 4.3Å; I219-K223 WeakPolarHBondContact O-CB 3.44Å; I219-K223 WeakPolarHBondContact O-CG 3.06Å; I219-K223 PolarHBondContact O-N 3.33Å; K223-E266 VanDerWaalsContact CE-OE1 3.25Å; K223-E266 WeakPolarHBondContact CE-OE1 3.33Å; K223-E266 IonicContact NZ-OE1 2.72Å; K223-E266 PolarHBondContact NZ-OE1 3.44Å; K223-E266 IonicContact NZ-OE2 2.78Å; K223-L267 HydrophobicContact CG-CD2 3.68Å; K223-K270 WeakPolarHBondContact O-CE 3.49Å |
| 224 | N | 95.4 | Very high | 95 | Very high | 35 Ų | 35 | 36.1 Ų | 36.1 | 19% | 0.187 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -66.3 | -40.1 | 179.8 | -176 | 60.7 | 0 | 0 | 0 | 112.3 | Q220 L221 I222 D227 L401 G403 | Q220-N224 VanDerWaalsContact O-CB 3.3Å; Q220-N224 WeakPolarHBondContact O-CB 3.25Å; Q220-N224 PolarHBondContact O-N 3.49Å; L221-N224 PolarHBondContact O-N 3.36Å; I222-N224 PolarHBondContact O-N 3Å; N224-D227 PolarHBondContact O-N 3.22Å; N224-L401 PolarHBondContact ND2-O 3.34Å; N224-G403 PolarHBondContact ND2-N 3.05Å |
| 225 | L | 96.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -72.1 | -34.9 | 179.5 | -70.8 | 177.5 | 0 | 0 | 0 | 112.8 | L199 A208 L210 L221 I222 D227 K228 V229 M232 L401 | L199-L225 HydrophobicContact CD2-CD2 4.23Å; A208-L225 HydrophobicContact CB-CD1 3.87Å; L210-L225 HydrophobicContact CD1-CD1 4.35Å; L210-L225 HydrophobicContact CD2-CD1 3.91Å; L221-L225 HydrophobicContact CD1-CD1 3.57Å; L221-L225 HydrophobicContact CD1-CG 4.05Å; L221-L225 HydrophobicContact CG-CD1 3.88Å; L221-L225 WeakPolarHBondContact O-CB 3.44Å; L221-L225 VanDerWaalsContact O-CG 3.31Å; L221-L225 WeakPolarHBondContact O-CG 3.26Å; L221-L225 PolarHBondContact O-N 3.23Å; I222-L225 PolarHBondContact O-N 3.39Å; L225-D227 PolarHBondContact O-N 3.33Å; L225-D227 VanDerWaalsContact O-N 3.11Å; L225-K228 PolarHBondContact O-N 3.43Å; L225-V229 HydrophobicContact CB-CG1 4.31Å; L225-V229 WeakPolarHBondContact O-CG1 3.11Å; L225-V229 WeakPolarHBondContact O-CG2 3.41Å; L225-V229 PolarHBondContact O-N 2.82Å; L225-M232 HydrophobicContact CB-CE 3.75Å; L225-L401 HydrophobicContact CD2-CD2 4.49Å |
| 226 | L | 97.9 | Very high | 95.6 | Very high | 2 Ų | 2 | 31.6 Ų | 31.6 | 1% | 0.01 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59 | -21.6 | 175.1 | -75.7 | 176.8 | 0 | 0 | 0 | 113.2 | I222 K228 M232 L267 K270 A271 N274 V276 I278 | I222-L226 HydrophobicContact CG2-CD1 3.78Å; I222-L226 HydrophobicContact CG2-CG 4.06Å; I222-L226 WeakPolarHBondContact O-CB 3.41Å; I222-L226 VanDerWaalsContact O-CG 3.23Å; I222-L226 WeakPolarHBondContact O-CG 3.4Å; I222-L226 PolarHBondContact O-N 3.27Å; L226-K228 VanDerWaalsContact C-N 3.3Å; L226-M232 HydrophobicContact CD2-CE 3.75Å; L226-M232 HydrophobicContact CD2-SD 4.08Å; L226-M232 HydrophobicContact CG-CE 3.9Å; L226-M232 HydrophobicContact CG-SD 4.49Å; L226-L267 HydrophobicContact CD1-CD2 4.47Å; L226-L267 WeakPolarHBondContact CD1-O 3.28Å; L226-K270 HydrophobicContact CB-CD 4.18Å; L226-K270 HydrophobicContact CB-CG 4.29Å; L226-K270 HydrophobicContact CD1-CB 4.27Å; L226-K270 HydrophobicContact CD1-CD 4.08Å; L226-K270 HydrophobicContact CD1-CG 4.21Å; L226-A271 HydrophobicContact CD1-CB 4.46Å; L226-A271 HydrophobicContact CD2-CB 3.76Å; L226-N274 PolarHBondContact O-ND2 2.93Å; L226-V276 HydrophobicContact CD2-CB 4.09Å; L226-V276 HydrophobicContact CD2-CG1 3.88Å; L226-V276 HydrophobicContact CD2-CG2 4.23Å; L226-V276 WeakPolarHBondContact O-CG2 3.14Å; L226-I278 HydrophobicContact CD2-CD1 3.89Å |
| 227 | D | 95.9 | Very high | 95.8 | Very high | 92 Ų | 92 | 30.5 Ų | 30.5 | 49% | 0.492 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -6.8 | 173.9 | -70.1 | -39.4 | 0 | 0 | 0 | 113.8 | N224 L225 K270 N274 | N224-D227 PolarHBondContact O-N 3.22Å; L225-D227 PolarHBondContact O-N 3.33Å; L225-D227 VanDerWaalsContact O-N 3.11Å; D227-K270 WeakPolarHBondContact OD1-CE 3.36Å; D227-K270 IonicContact OD1-NZ 3.35Å; D227-K270 PolarHBondContact OD1-NZ 3.24Å; D227-K270 WeakPolarHBondContact OD2-CE 3.44Å; D227-K270 IonicContact OD2-NZ 2.71Å; D227-K270 PolarHBondContact OD2-NZ 3.19Å; D227-N274 PolarHBondContact OD1-ND2 3.3Å |
| 228 | K | 95 | Very high | 96.1 | Very high | 58 Ų | 58 | 25.4 Ų | 25.4 | 25% | 0.252 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -124.8 | -38.3 | -169.5 | -59.9 | -172.2 | 176.8 | -150.4 | 0 | 113.5 | L199 R204 F206 L225 L226 | L199-K228 HydrophobicContact CD2-CD 4.12Å; L199-K228 PolarHBondContact O-NZ 2.72Å; R204-K228 PolarHBondContact NH1-O 3.1Å; R204-K228 PolarHBondContact NH2-O 3.15Å; R204-K228 VanDerWaalsContact NH2-O 3.07Å; F206-K228 HydrophobicContact CD1-CB 4.36Å; F206-K228 HydrophobicContact CE1-CB 4.11Å; L225-K228 PolarHBondContact O-N 3.43Å; L226-K228 VanDerWaalsContact C-N 3.3Å |
| 229 | V | 98.2 | Very high | 96.5 | Very high | 7 Ų | 7 | 24 Ų | 24 | 4% | 0.042 | 13% | 0.126 | C | C | . | . | trans | -83.5 | 161.7 | -172.5 | -56.4 | 0 | 0 | 0 | 0 | 112.3 | F206 A208 L225 E231 M232 V276 | F206-V229 HydrophobicContact CD1-CB 4.34Å; F206-V229 HydrophobicContact CD1-CG1 3.73Å; F206-V229 HydrophobicContact CD2-CG1 4.28Å; F206-V229 HydrophobicContact CE1-CG1 3.71Å; F206-V229 HydrophobicContact CE2-CG1 4.25Å; F206-V229 HydrophobicContact CG-CB 4.45Å; F206-V229 HydrophobicContact CG-CG1 4.02Å; F206-V229 HydrophobicContact CZ-CG1 3.98Å; F206-V229 WeakPolarHBondContact O-CB 3.18Å; A208-V229 HydrophobicContact CB-CG1 3.79Å; L225-V229 HydrophobicContact CB-CG1 4.31Å; L225-V229 WeakPolarHBondContact O-CG1 3.11Å; L225-V229 WeakPolarHBondContact O-CG2 3.41Å; L225-V229 PolarHBondContact O-N 2.82Å; V229-E231 WeakPolarHBondContact CG2-O 3.35Å; V229-M232 HydrophobicContact CG2-CB 4.36Å; V229-M232 HydrophobicContact CG2-CE 4.13Å; V229-V276 HydrophobicContact CG2-CG1 3.73Å; V229-V276 HydrophobicContact CG2-CG2 4.37Å; V229-V276 WeakPolarHBondContact O-CG2 3.49Å | ||
| 230 | N | 98.6 | Very high | 96.7 | Very high | 55 Ų | 55 | 23 Ų | 23 | 29% | 0.294 | 12% | 0.119 | S | C | . | . | S | Bend | trans | -98.6 | -33.4 | 170.1 | -63 | 104 | 0 | 0 | 0 | 111.4 | R204 P205 F206 V276 K277 | R204-N230 WeakPolarHBondContact CG-OD1 3.49Å; R204-N230 PolarHBondContact NH1-OD1 3.19Å; P205-N230 HydrophobicContact CB-CB 4.2Å; F206-N230 PolarHBondContact N-OD1 3.33Å; F206-N230 PolarHBondContact O-N 3.12Å; N230-V276 WeakPolarHBondContact O-CA 3.44Å; N230-K277 PolarHBondContact O-N 3.44Å |
| 231 | E | 98.7 | Very high | 97 | Very high | 19 Ų | 19 | 17.6 Ų | 17.6 | 9% | 0.089 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 149 | 179 | -54.8 | -163.5 | -151.1 | 0 | 0 | 109.2 | F206 L207 A208 V229 K277 H279 R328 | F206-E231 PolarHBondContact O-N 3.01Å; L207-E231 WeakPolarHBondContact CA-O 3.5Å; L207-E231 HydrophobicContact CD1-CB 3.8Å; L207-E231 WeakPolarHBondContact CD1-O 3.19Å; A208-E231 PolarHBondContact N-O 3.1Å; V229-E231 WeakPolarHBondContact CG2-O 3.35Å; E231-K277 CarbonylContact C-O 3.45Å; E231-K277 VanDerWaalsContact CA-O 3.3Å; E231-K277 WeakPolarHBondContact CA-O 3.28Å; E231-K277 HydrophobicContact CG-CB 4.16Å; E231-H279 IonicContact OE2-CD2 3.44Å; E231-H279 IonicContact OE2-CE1 3.27Å; E231-H279 PolarHBondContact OE2-CE1 3.29Å; E231-H279 IonicContact OE2-NE2 3.04Å; E231-H279 PolarHBondContact OE2-NE2 3.22Å; E231-R328 IonicContact OE1-CZ 3.82Å; E231-R328 IonicContact OE1-NE 3.64Å; E231-R328 PolarHBondContact OE1-NE 2.85Å; E231-R328 IonicContact OE1-NH2 3.17Å; E231-R328 PolarHBondContact OE1-NH2 3.13Å; E231-R328 IonicContact OE2-CZ 2.68Å; E231-R328 IonicContact OE2-NE 3.72Å; E231-R328 IonicContact OE2-NH2 3.88Å; E231-R328 PolarHBondContact OE2-NH2 3.34Å |
| 232 | M | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 123.2 | 175.1 | -176.9 | 178.8 | -71.6 | 0 | 0 | 110.4 | A208 L210 I222 L225 L226 V229 I234 V276 K277 I278 H279 | A208-M232 HydrophobicContact CB-CE 4.27Å; A208-M232 HydrophobicContact CB-CG 4.31Å; A208-M232 CarbonylContact O-C 3.59Å; A208-M232 VanDerWaalsContact O-CA 3.28Å; A208-M232 WeakPolarHBondContact O-CA 3.36Å; L210-M232 HydrophobicContact CD1-CE 4.06Å; L210-M232 HydrophobicContact CD1-CG 4.29Å; L210-M232 HydrophobicContact CD1-SD 3.76Å; I222-M232 HydrophobicContact CG2-CE 4.39Å; I222-M232 HydrophobicContact CG2-SD 4.05Å; L225-M232 HydrophobicContact CB-CE 3.75Å; L226-M232 HydrophobicContact CD2-CE 3.75Å; L226-M232 HydrophobicContact CD2-SD 4.08Å; L226-M232 HydrophobicContact CG-CE 3.9Å; L226-M232 HydrophobicContact CG-SD 4.49Å; V229-M232 HydrophobicContact CG2-CB 4.36Å; V229-M232 HydrophobicContact CG2-CE 4.13Å; M232-I234 HydrophobicContact CG-CG1 4.11Å; M232-I234 HydrophobicContact SD-CD1 4.18Å; M232-I234 HydrophobicContact SD-CG1 4.19Å; M232-V276 HydrophobicContact CB-CG1 4.21Å; M232-K277 PolarHBondContact N-O 3.45Å; M232-I278 HydrophobicContact CB-CD1 3.81Å; M232-I278 HydrophobicContact CG-CD1 4.47Å; M232-I278 CarbonylContact O-C 3.5Å; M232-I278 WeakPolarHBondContact O-CA 3.48Å; M232-I278 HydrophobicContact SD-CD1 4.38Å; M232-H279 PolarHBondContact O-N 2.9Å |
| 233 | I | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 130.7 | 168.8 | -69.9 | 165.9 | 0 | 0 | 0 | 108.4 | L207 A208 I209 L210 H279 F322 A325 I326 M353 | L207-I233 HydrophobicContact CD1-CD1 4.17Å; L207-I233 HydrophobicContact CD1-CG1 4.07Å; L207-I233 HydrophobicContact CD2-CD1 4.13Å; A208-I233 PolarHBondContact O-N 2.85Å; I209-I233 HydrophobicContact CD1-CD1 4.49Å; I209-I233 HydrophobicContact CG1-CB 4.43Å; I209-I233 HydrophobicContact CG1-CD1 4.21Å; I209-I233 HydrophobicContact CG2-CB 4.24Å; I209-I233 HydrophobicContact CG2-CG2 4.1Å; L210-I233 PolarHBondContact N-O 3.04Å; I233-H279 HydrophobicContact CG1-CB 3.86Å; I233-F322 HydrophobicContact CD1-CB 4.04Å; I233-F322 HydrophobicContact CD1-CD1 4.16Å; I233-F322 HydrophobicContact CD1-CG 4.11Å; I233-F322 HydrophobicContact CG1-CD1 4.03Å; I233-F322 HydrophobicContact CG1-CE1 4.34Å; I233-F322 HydrophobicContact CG1-CG 4.42Å; I233-F322 HydrophobicContact CG2-CD1 3.96Å; I233-F322 HydrophobicContact CG2-CD2 3.93Å; I233-F322 HydrophobicContact CG2-CE1 3.74Å; I233-F322 HydrophobicContact CG2-CE2 3.65Å; I233-F322 HydrophobicContact CG2-CG 4.04Å; I233-F322 HydrophobicContact CG2-CZ 3.56Å; I233-A325 HydrophobicContact CD1-CB 4.11Å; I233-A325 HydrophobicContact CG1-CB 4.49Å; I233-I326 HydrophobicContact CD1-CD1 4.31Å; I233-I326 HydrophobicContact CD1-CG1 4.09Å; I233-M353 HydrophobicContact CG2-CE 4Å |
| 234 | I | 98.2 | Very high | 97.4 | Very high | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.005 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 112.1 | 173 | -62.7 | 176.7 | 0 | 0 | 0 | 107.8 | L210 M232 M238 A239 F242 I278 H279 L280 P281 | L210-I234 WeakPolarHBondContact O-CA 3.44Å; M232-I234 HydrophobicContact CG-CG1 4.11Å; M232-I234 HydrophobicContact SD-CD1 4.18Å; M232-I234 HydrophobicContact SD-CG1 4.19Å; I234-M238 HydrophobicContact CG2-CE 3.92Å; I234-M238 HydrophobicContact CG2-CG 4.08Å; I234-A239 HydrophobicContact CG2-CB 4.26Å; I234-F242 HydrophobicContact CD1-CD1 4.35Å; I234-F242 HydrophobicContact CD1-CD2 4.48Å; I234-F242 HydrophobicContact CD1-CE1 3.85Å; I234-F242 HydrophobicContact CD1-CE2 3.99Å; I234-F242 HydrophobicContact CD1-CZ 3.65Å; I234-F242 HydrophobicContact CG2-CD2 4.16Å; I234-F242 HydrophobicContact CG2-CE2 4.28Å; I234-I278 HydrophobicContact CD1-CG2 4.24Å; I234-H279 PolarHBondContact N-O 2.82Å; I234-L280 HydrophobicContact CB-CD2 3.83Å; I234-L280 HydrophobicContact CG2-CD2 4.05Å; I234-P281 WeakPolarHBondContact O-CD 3.41Å |
| 235 | G | 97.1 | Very high | 97.5 | Very high | 2 Ų | 2 | 19.3 Ų | 19.3 | 2% | 0.021 | 10% | 0.104 | C | C | . | . | trans | -120.6 | -169.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L210 M238 | L210-G235 PolarHBondContact O-N 2.71Å; G235-M238 WeakPolarHBondContact O-CG 3.23Å | ||
| 236 | G | 95.7 | Very high | 97.6 | Very high | 14 Ų | 14 | 22.4 Ų | 22.4 | 14% | 0.144 | 12% | 0.12 | C | C | . | . | S | Bend | trans | 69.5 | -167.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | G212 M238 A239 P338 | G212-G236 CarbonylContact O-C 3.59Å; G236-M238 PolarHBondContact O-N 3.37Å; G236-A239 WeakPolarHBondContact O-CB 3.45Å; G236-A239 PolarHBondContact O-N 3.5Å; G236-A239 VanDerWaalsContact O-N 3.1Å; G236-P338 WeakPolarHBondContact CA-O 3.25Å; G236-P338 PolarHBondContact N-O 3.13Å |
| 237 | G | 95.5 | Very high | 97.5 | Very high | 12 Ų | 12 | 26.5 Ų | 26.5 | 12% | 0.124 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -55.1 | -36.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | G212 A213 A239 F240 | G212-G237 WeakPolarHBondContact O-CA 3.48Å; G212-G237 PolarHBondContact O-N 3.43Å; A213-G237 CarbonylContact O-C 3.51Å; G237-A239 PolarHBondContact O-N 3.2Å; G237-F240 WeakPolarHBondContact O-CB 3.46Å; G237-F240 VanDerWaalsContact O-CD2 3.23Å; G237-F240 WeakPolarHBondContact O-CD2 3.4Å; G237-F240 PolarHBondContact O-N 3.21Å |
| 238 | M | 96 | Very high | 97.6 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -67 | -23.9 | -178.8 | 70.3 | 179.3 | 179.7 | 0 | 0 | 113.6 | L210 G211 G212 A213 V215 K218 I234 G235 G236 F240 T241 | L210-M238 HydrophobicContact CB-CE 3.45Å; L210-M238 VanDerWaalsContact CB-CE 3.45Å; L210-M238 WeakPolarHBondContact O-CE 3.46Å; G211-M238 VanDerWaalsContact CA-CE 3.49Å; G212-M238 PolarHBondContact O-N 2.82Å; A213-M238 PolarHBondContact O-N 3.21Å; V215-M238 HydrophobicContact CG2-CB 3.82Å; K218-M238 HydrophobicContact CG-SD 4.45Å; I234-M238 HydrophobicContact CG2-CE 3.92Å; I234-M238 HydrophobicContact CG2-CG 4.08Å; G235-M238 WeakPolarHBondContact O-CG 3.23Å; G236-M238 PolarHBondContact O-N 3.37Å; M238-F240 PolarHBondContact O-N 3.25Å; M238-T241 WeakPolarHBondContact O-CB 3.44Å; M238-T241 PolarHBondContact O-N 3.27Å |
| 239 | A | 98.1 | Very high | 97.7 | Very high | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.008 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -62.9 | -30.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | I234 G236 G237 T241 F242 L243 P281 | I234-A239 HydrophobicContact CG2-CB 4.26Å; G236-A239 WeakPolarHBondContact O-CB 3.45Å; G236-A239 PolarHBondContact O-N 3.5Å; G236-A239 VanDerWaalsContact O-N 3.1Å; G237-A239 PolarHBondContact O-N 3.2Å; A239-T241 VanDerWaalsContact C-N 3.31Å; A239-T241 PolarHBondContact O-N 3.02Å; A239-F242 WeakPolarHBondContact O-CB 3.35Å; A239-F242 PolarHBondContact O-N 2.99Å; A239-L243 WeakPolarHBondContact O-CG 3.46Å; A239-L243 PolarHBondContact O-N 2.88Å; A239-P281 HydrophobicContact CB-CG 4Å |
| 240 | F | 98.3 | Very high | 97.7 | Very high | 13 Ų | 13 | 33.8 Ų | 33.8 | 6% | 0.057 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65.4 | -34.1 | 177.4 | -60.4 | -60.7 | 0 | 0 | 0 | 112.6 | G237 M238 F242 L243 K244 I251 L255 I284 I305 G311 | G237-F240 WeakPolarHBondContact O-CB 3.46Å; G237-F240 VanDerWaalsContact O-CD2 3.23Å; G237-F240 WeakPolarHBondContact O-CD2 3.4Å; G237-F240 PolarHBondContact O-N 3.21Å; M238-F240 PolarHBondContact O-N 3.25Å; F240-F242 VanDerWaalsContact C-N 3.35Å; F240-L243 PolarHBondContact O-N 3.36Å; F240-K244 VanDerWaalsContact O-CB 3.26Å; F240-K244 WeakPolarHBondContact O-CB 3.2Å; F240-K244 PolarHBondContact O-N 2.92Å; F240-I251 HydrophobicContact CB-CB 4.46Å; F240-I251 HydrophobicContact CB-CD1 4.41Å; F240-I251 HydrophobicContact CB-CG2 4.14Å; F240-I251 HydrophobicContact CD1-CG2 4.41Å; F240-L255 WeakPolarHBondContact CB-O 3.32Å; F240-I284 HydrophobicContact CE1-CG1 4.16Å; F240-I284 HydrophobicContact CE1-CG2 4.09Å; F240-I284 HydrophobicContact CZ-CG2 4.14Å; F240-I305 HydrophobicContact CD1-CD1 4.13Å; F240-I305 HydrophobicContact CE1-CD1 3.67Å; F240-I305 HydrophobicContact CZ-CD1 4.41Å; F240-G311 WeakPolarHBondContact CE2-O 3.45Å |
| 241 | T | 98 | Very high | 97.7 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.5 | -43.2 | 172.9 | -57.7 | 0 | 0 | 0 | 0 | 111 | V215 M238 A239 V245 F256 D257 A261 V264 | V215-T241 HydrophobicContact CG2-CG2 4.05Å; M238-T241 WeakPolarHBondContact O-CB 3.44Å; M238-T241 PolarHBondContact O-N 3.27Å; A239-T241 VanDerWaalsContact C-N 3.31Å; A239-T241 PolarHBondContact O-N 3.02Å; T241-V245 WeakPolarHBondContact O-CB 3.24Å; T241-V245 VanDerWaalsContact O-CG2 3.26Å; T241-V245 WeakPolarHBondContact O-CG2 3.31Å; T241-V245 PolarHBondContact O-N 3.19Å; T241-V245 VanDerWaalsContact O-N 3.15Å; T241-F256 HydrophobicContact CG2-CD2 4.3Å; T241-F256 HydrophobicContact CG2-CE2 4Å; T241-D257 HydrophobicContact CG2-CB 4.5Å; T241-D257 PolarHBondContact OG1-N 3.05Å; T241-D257 VanDerWaalsContact OG1-N 3.14Å; T241-A261 HydrophobicContact CG2-CB 3.86Å; T241-V264 HydrophobicContact CG2-CG2 4.07Å |
| 242 | F | 98.3 | Very high | 97.6 | Very high | 2 Ų | 2 | 32.3 Ų | 32.3 | 1% | 0.009 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.1 | -50.7 | 174.7 | -81 | -101.6 | 0 | 0 | 0 | 111.6 | V215 I234 A239 F240 K244 V245 L246 V264 L267 M268 L280 | V215-F242 HydrophobicContact CG1-CE2 4.03Å; V215-F242 HydrophobicContact CG2-CD2 4.1Å; V215-F242 HydrophobicContact CG2-CE2 3.79Å; I234-F242 HydrophobicContact CD1-CD1 4.35Å; I234-F242 HydrophobicContact CD1-CD2 4.48Å; I234-F242 HydrophobicContact CD1-CE1 3.85Å; I234-F242 HydrophobicContact CD1-CE2 3.99Å; I234-F242 HydrophobicContact CD1-CZ 3.65Å; I234-F242 HydrophobicContact CG2-CD2 4.16Å; I234-F242 HydrophobicContact CG2-CE2 4.28Å; A239-F242 WeakPolarHBondContact O-CB 3.35Å; A239-F242 PolarHBondContact O-N 2.99Å; F240-F242 VanDerWaalsContact C-N 3.35Å; F242-K244 PolarHBondContact O-N 3.33Å; F242-V245 PolarHBondContact O-N 2.89Å; F242-L246 HydrophobicContact CB-CD1 4.41Å; F242-L246 HydrophobicContact CD1-CD1 4.13Å; F242-L246 VanDerWaalsContact O-CB 3.3Å; F242-L246 WeakPolarHBondContact O-CB 3.04Å; F242-L246 VanDerWaalsContact O-CG 3.27Å; F242-L246 WeakPolarHBondContact O-CG 3.22Å; F242-L246 PolarHBondContact O-N 3.41Å; F242-V264 HydrophobicContact CD1-CG1 3.71Å; F242-V264 HydrophobicContact CD1-CG2 4.33Å; F242-V264 HydrophobicContact CD2-CG2 4.23Å; F242-V264 HydrophobicContact CE1-CG1 4.07Å; F242-V264 HydrophobicContact CE1-CG2 4.42Å; F242-V264 HydrophobicContact CE2-CG2 4.33Å; F242-V264 HydrophobicContact CG-CG1 4.18Å; F242-V264 HydrophobicContact CG-CG2 4.23Å; F242-V264 HydrophobicContact CZ-CG2 4.42Å; F242-L267 HydrophobicContact CZ-CD1 3.83Å; F242-M268 HydrophobicContact CD1-SD 4.09Å; F242-M268 HydrophobicContact CE1-SD 4.03Å; F242-L280 HydrophobicContact CB-CD1 3.99Å; F242-L280 HydrophobicContact CB-CD2 3.74Å; F242-L280 HydrophobicContact CD1-CD2 4.43Å; F242-L280 HydrophobicContact CG-CD2 4.12Å |
| 243 | L | 98.4 | Very high | 97.6 | Very high | 3 Ų | 3 | 39 Ų | 39 | 2% | 0.016 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.8 | -40.1 | -178 | -68.1 | 171.3 | 0 | 0 | 0 | 112.6 | A239 F240 N247 M249 L280 P281 V301 | A239-L243 WeakPolarHBondContact O-CG 3.46Å; A239-L243 PolarHBondContact O-N 2.88Å; F240-L243 PolarHBondContact O-N 3.36Å; L243-N247 WeakPolarHBondContact O-CA 3.45Å; L243-N247 VanDerWaalsContact O-CB 3.3Å; L243-N247 WeakPolarHBondContact O-CB 3.26Å; L243-N247 PolarHBondContact O-N 3.2Å; L243-M249 HydrophobicContact CB-CB 4.23Å; L243-M249 HydrophobicContact CB-SD 3.79Å; L243-M249 HydrophobicContact CD1-SD 3.83Å; L243-M249 HydrophobicContact CG-SD 4.31Å; L243-M249 PolarHBondContact O-N 3.03Å; L243-L280 HydrophobicContact CD2-CB 4.05Å; L243-L280 HydrophobicContact CD2-CD1 4.31Å; L243-P281 HydrophobicContact CD1-CB 4.46Å; L243-V301 HydrophobicContact CD1-CG2 4.23Å; L243-V301 HydrophobicContact CD2-CG1 4.41Å; L243-V301 HydrophobicContact CD2-CG2 3.79Å |
| 244 | K | 98 | Very high | 97.5 | Very high | 82 Ų | 82 | 39.5 Ų | 39.5 | 36% | 0.357 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -64.3 | -43.8 | 175.6 | -174.5 | 170.5 | 175.7 | -173.6 | 0 | 111.6 | F240 F242 N248 I251 F256 | F240-K244 VanDerWaalsContact O-CB 3.26Å; F240-K244 WeakPolarHBondContact O-CB 3.2Å; F240-K244 PolarHBondContact O-N 2.92Å; F242-K244 PolarHBondContact O-N 3.33Å; K244-N248 VanDerWaalsContact O-CA 3.22Å; K244-N248 WeakPolarHBondContact O-CA 3.48Å; K244-N248 PolarHBondContact O-N 3.09Å; K244-I251 HydrophobicContact CB-CD1 4.48Å; K244-I251 HydrophobicContact CB-CG2 4.07Å; K244-I251 HydrophobicContact CD-CD1 3.64Å; K244-I251 HydrophobicContact CD-CG1 4.02Å; K244-F256 HydrophobicContact CB-CE2 4.33Å; K244-F256 HydrophobicContact CD-CD2 3.82Å; K244-F256 HydrophobicContact CD-CE2 3.68Å; K244-F256 HydrophobicContact CD-CG 4.49Å; K244-F256 HydrophobicContact CD-CZ 4.21Å; K244-F256 HydrophobicContact CG-CE2 4.32Å |
| 245 | V | 97.9 | Very high | 97.5 | Very high | 43 Ų | 43 | 44 Ų | 44 | 26% | 0.261 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -74.1 | -39.5 | -177.7 | 173.1 | 0 | 0 | 0 | 0 | 112.6 | T241 F242 A261 V264 K265 | T241-V245 WeakPolarHBondContact O-CB 3.24Å; T241-V245 VanDerWaalsContact O-CG2 3.26Å; T241-V245 WeakPolarHBondContact O-CG2 3.31Å; T241-V245 PolarHBondContact O-N 3.19Å; T241-V245 VanDerWaalsContact O-N 3.15Å; F242-V245 PolarHBondContact O-N 2.89Å; V245-A261 HydrophobicContact CG2-CB 3.81Å; V245-V264 HydrophobicContact CB-CB 4.24Å; V245-V264 HydrophobicContact CB-CG1 4.03Å; V245-V264 HydrophobicContact CG1-CB 3.99Å; V245-V264 HydrophobicContact CG1-CG1 3.88Å; V245-V264 HydrophobicContact CG2-CG2 4.44Å; V245-K265 HydrophobicContact CG1-CG 4.2Å |
| 246 | L | 97.7 | Very high | 97.5 | Very high | 64 Ų | 64 | 47 Ų | 47 | 34% | 0.335 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -89.3 | -36.4 | -173.1 | -61.4 | 175.8 | 0 | 0 | 0 | 113.1 | F242 V264 M268 L280 | F242-L246 HydrophobicContact CB-CD1 4.41Å; F242-L246 HydrophobicContact CD1-CD1 4.13Å; F242-L246 VanDerWaalsContact O-CB 3.3Å; F242-L246 WeakPolarHBondContact O-CB 3.04Å; F242-L246 VanDerWaalsContact O-CG 3.27Å; F242-L246 WeakPolarHBondContact O-CG 3.22Å; F242-L246 PolarHBondContact O-N 3.41Å; L246-V264 HydrophobicContact CD1-CG1 4.15Å; L246-V264 HydrophobicContact CD2-CG1 3.88Å; L246-V264 HydrophobicContact CG-CG1 3.83Å; L246-M268 HydrophobicContact CD1-CE 4.16Å; L246-M268 HydrophobicContact CD1-CG 3.73Å; L246-M268 HydrophobicContact CD1-SD 3.87Å; L246-M268 HydrophobicContact CD2-CG 3.88Å; L246-M268 HydrophobicContact CG-CG 4.42Å; L246-L280 HydrophobicContact CD1-CD1 3.94Å |
| 247 | N | 97.1 | Very high | 97.5 | Very high | 89 Ų | 89 | 46.9 Ų | 46.9 | 48% | 0.476 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -111.3 | -0.4 | -174 | -58 | 88.6 | 0 | 0 | 0 | 113.2 | L243 M249 V301 | L243-N247 WeakPolarHBondContact O-CA 3.45Å; L243-N247 VanDerWaalsContact O-CB 3.3Å; L243-N247 WeakPolarHBondContact O-CB 3.26Å; L243-N247 PolarHBondContact O-N 3.2Å; N247-M249 HydrophobicContact CB-CB 4.39Å; N247-M249 PolarHBondContact O-N 2.91Å; N247-M249 VanDerWaalsContact O-N 3.15Å; N247-V301 HydrophobicContact CB-CG1 3.88Å |
| 248 | N | 97 | Very high | 97.5 | Very high | 145 Ų | 145 | 51.5 Ų | 51.5 | 78% | 0.775 | 26% | 0.263 | S | S | * | . | trans | 52.3 | 32 | -170.4 | -163.6 | 44.3 | 0 | 0 | 0 | 112.2 | K244 | K244-N248 VanDerWaalsContact O-CA 3.22Å; K244-N248 WeakPolarHBondContact O-CA 3.48Å; K244-N248 PolarHBondContact O-N 3.09Å | ||
| 249 | M | 97.8 | Very high | 97.4 | Very high | 7 Ų | 7 | 56.9 Ų | 56.9 | 3% | 0.034 | 29% | 0.288 | C | S | . | . | trans | -68.2 | 135.9 | -176.1 | -176.5 | -171 | 170.5 | 0 | 0 | 110.3 | L243 N247 I284 V301 I305 | L243-M249 HydrophobicContact CB-CB 4.23Å; L243-M249 HydrophobicContact CB-SD 3.79Å; L243-M249 HydrophobicContact CD1-SD 3.83Å; L243-M249 HydrophobicContact CG-SD 4.31Å; L243-M249 PolarHBondContact O-N 3.03Å; N247-M249 HydrophobicContact CB-CB 4.39Å; N247-M249 PolarHBondContact O-N 2.91Å; N247-M249 VanDerWaalsContact O-N 3.15Å; M249-I284 HydrophobicContact CE-CD1 3.55Å; M249-I284 HydrophobicContact SD-CD1 4.46Å; M249-V301 HydrophobicContact SD-CB 4.26Å; M249-V301 HydrophobicContact SD-CG1 4.35Å; M249-V301 HydrophobicContact SD-CG2 3.95Å; M249-I305 HydrophobicContact CE-CD1 4.25Å; M249-I305 HydrophobicContact CE-CG1 3.94Å | ||
| 250 | K | 98.2 | Very high | 97.2 | Very high | 157 Ų | 157 | 56.8 Ų | 56.8 | 68% | 0.683 | 29% | 0.287 | S | S | * | . | trans | -70.8 | 127.8 | 167.1 | -61.4 | 175.5 | -176.8 | 173.9 | 0 | 109 | G304 I305 | K250-G304 CarbonylContact O-C 3.58Å; K250-G304 WeakPolarHBondContact O-CA 3.41Å; K250-I305 PolarHBondContact O-N 3.49Å | ||
| 251 | I | 98.1 | Very high | 97.1 | Very high | 10 Ų | 10 | 57 Ų | 57 | 5% | 0.051 | 29% | 0.292 | C | S | . | . | B | Isolated β-bridge | trans | -113.6 | 5.6 | -174.6 | 64.2 | 169.5 | 0 | 0 | 0 | 113.8 | F240 K244 K253 S254 F256 | F240-I251 HydrophobicContact CB-CB 4.46Å; F240-I251 HydrophobicContact CB-CD1 4.41Å; F240-I251 HydrophobicContact CB-CG2 4.14Å; F240-I251 HydrophobicContact CD1-CG2 4.41Å; K244-I251 HydrophobicContact CB-CD1 4.48Å; K244-I251 HydrophobicContact CB-CG2 4.07Å; K244-I251 HydrophobicContact CD-CD1 3.64Å; K244-I251 HydrophobicContact CD-CG1 4.02Å; I251-K253 PolarHBondContact O-N 3.05Å; I251-S254 WeakPolarHBondContact O-CB 3.29Å; I251-S254 PolarHBondContact O-N 3.49Å; I251-S254 PolarHBondContact O-OG 3.1Å; I251-F256 HydrophobicContact CD1-CB 3.84Å; I251-F256 HydrophobicContact CD1-CD2 4Å; I251-F256 HydrophobicContact CD1-CG 4.19Å |
| 252 | G | 97.7 | Very high | 97.1 | Very high | 33 Ų | 33 | 64 Ų | 64 | 34% | 0.34 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.2 | -131.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | S254 I305 W309 | G252-S254 VanDerWaalsContact C-N 3.34Å; G252-I305 PolarHBondContact N-O 3.06Å; G252-W309 CarbonylContact C-O 3.54Å; G252-W309 WeakPolarHBondContact CA-O 3.37Å |
| 253 | K | 97.4 | Very high | 96.9 | Very high | 141 Ų | 141 | 65.1 Ų | 65.1 | 61% | 0.613 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | 13.5 | 173.8 | -68.5 | -174.6 | 177.8 | 169.1 | 0 | 113.7 | I251 W309 M310 | I251-K253 PolarHBondContact O-N 3.05Å; K253-W309 PolarHBondContact N-O 2.9Å; K253-M310 HydrophobicContact CB-CB 4.37Å; K253-M310 HydrophobicContact CB-CE 3.97Å; K253-M310 HydrophobicContact CD-CE 4.39Å |
| 254 | S | 98.1 | Very high | 96.9 | Very high | 11 Ų | 11 | 65 Ų | 65 | 8% | 0.077 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -62.8 | 158.8 | 177.3 | -46.9 | 0 | 0 | 0 | 0 | 111.2 | I251 G252 F256 I305 M310 G311 | I251-S254 WeakPolarHBondContact O-CB 3.29Å; I251-S254 PolarHBondContact O-N 3.49Å; I251-S254 PolarHBondContact O-OG 3.1Å; G252-S254 VanDerWaalsContact C-N 3.34Å; S254-F256 PolarHBondContact O-N 3.15Å; S254-I305 VanDerWaalsContact OG-CD1 3.3Å; S254-I305 WeakPolarHBondContact OG-CD1 3.29Å; S254-M310 WeakPolarHBondContact OG-CA 3.21Å; S254-G311 PolarHBondContact OG-N 3.03Å |
| 255 | L | 96.7 | Very high | 96.8 | Very high | 95 Ų | 95 | 68.1 Ų | 68.1 | 50% | 0.497 | 34% | 0.341 | S | S | . | . | trans | -57.7 | 131.2 | 179.5 | -66.5 | 171.9 | 0 | 0 | 0 | 110.8 | A213 F240 | A213-L255 HydrophobicContact CB-CD1 3.77Å; F240-L255 WeakPolarHBondContact CB-O 3.32Å | ||
| 256 | F | 97.2 | Very high | 96.8 | Very high | 64 Ų | 64 | 70.8 Ų | 70.8 | 28% | 0.281 | 35% | 0.351 | S | S | . | . | trans | -130.7 | 139.1 | 172.9 | -174.9 | -115.3 | 0 | 0 | 0 | 108.8 | T241 K244 I251 S254 D258 A261 | T241-F256 HydrophobicContact CG2-CD2 4.3Å; T241-F256 HydrophobicContact CG2-CE2 4Å; K244-F256 HydrophobicContact CB-CE2 4.33Å; K244-F256 HydrophobicContact CD-CD2 3.82Å; K244-F256 HydrophobicContact CD-CE2 3.68Å; K244-F256 HydrophobicContact CD-CG 4.49Å; K244-F256 HydrophobicContact CD-CZ 4.21Å; K244-F256 HydrophobicContact CG-CE2 4.32Å; I251-F256 HydrophobicContact CD1-CB 3.84Å; I251-F256 HydrophobicContact CD1-CD2 4Å; I251-F256 HydrophobicContact CD1-CG 4.19Å; S254-F256 PolarHBondContact O-N 3.15Å; F256-D258 HydrophobicContact CE1-CB 4.45Å; F256-D258 VanDerWaalsContact CE1-OD1 3.23Å; F256-D258 WeakPolarHBondContact CE1-OD1 3.47Å; F256-A261 HydrophobicContact CE1-CB 4.48Å; F256-A261 HydrophobicContact CE2-CB 3.96Å; F256-A261 HydrophobicContact CZ-CB 3.58Å | ||
| 257 | D | 95.5 | Very high | 96.8 | Very high | 13 Ų | 13 | 67.9 Ų | 67.9 | 7% | 0.07 | 34% | 0.335 | C | S | . | . | trans | -119.5 | 99.2 | -179.4 | 175.4 | 8.7 | 0 | 0 | 0 | 108.8 | K214 V215 A216 T241 E259 G260 A261 | K214-D257 HydrophobicContact CB-CB 4.36Å; K214-D257 HydrophobicContact CG-CB 4.46Å; V215-D257 WeakPolarHBondContact CA-OD2 3.33Å; V215-D257 PolarHBondContact N-OD2 2.89Å; A216-D257 VanDerWaalsContact CB-OD2 3.31Å; A216-D257 WeakPolarHBondContact CB-OD2 3.44Å; A216-D257 PolarHBondContact N-OD2 2.72Å; T241-D257 HydrophobicContact CG2-CB 4.5Å; T241-D257 PolarHBondContact OG1-N 3.05Å; T241-D257 VanDerWaalsContact OG1-N 3.14Å; D257-E259 VanDerWaalsContact C-N 3.31Å; D257-E259 PolarHBondContact O-N 2.78Å; D257-E259 PolarHBondContact OD1-N 3.19Å; D257-G260 VanDerWaalsContact CG-N 3.32Å; D257-G260 CarbonylContact O-C 3.57Å; D257-G260 PolarHBondContact O-N 3.15Å; D257-G260 PolarHBondContact OD1-N 3.32Å; D257-G260 WeakPolarHBondContact OD2-CA 3.34Å; D257-A261 WeakPolarHBondContact O-CB 3.48Å; D257-A261 PolarHBondContact O-N 2.85Å | ||
| 258 | D | 96 | Very high | 96.9 | Very high | 109 Ų | 109 | 66.2 Ų | 66.2 | 58% | 0.583 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -59.3 | -38.8 | -177.1 | -66.9 | -83.9 | 0 | 0 | 0 | 113 | F256 A261 | F256-D258 HydrophobicContact CE1-CB 4.45Å; F256-D258 VanDerWaalsContact CE1-OD1 3.23Å; F256-D258 WeakPolarHBondContact CE1-OD1 3.47Å; D258-A261 PolarHBondContact O-N 2.83Å |
| 259 | E | 94.8 | Very high | 96.9 | Very high | 112 Ų | 112 | 61.9 Ų | 61.9 | 52% | 0.523 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -71.9 | -41.4 | 176.7 | -66.6 | -52.6 | 129.5 | 0 | 0 | 110.8 | A216 D257 A261 K262 | A216-E259 HydrophobicContact CB-CB 4.45Å; D257-E259 VanDerWaalsContact C-N 3.31Å; D257-E259 PolarHBondContact O-N 2.78Å; D257-E259 PolarHBondContact OD1-N 3.19Å; E259-A261 VanDerWaalsContact C-N 3.31Å; E259-A261 PolarHBondContact O-N 3.44Å; E259-K262 PolarHBondContact O-N 2.86Å; E259-K262 IonicContact OE1-NZ 2.67Å; E259-K262 PolarHBondContact OE1-NZ 3.16Å; E259-K262 IonicContact OE2-NZ 2.76Å; E259-K262 PolarHBondContact OE2-NZ 2.82Å |
| 260 | G | 93.5 | Very high | 97 | Very high | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -57.6 | -39.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | D257 K262 I263 V264 | D257-G260 VanDerWaalsContact CG-N 3.32Å; D257-G260 CarbonylContact O-C 3.57Å; D257-G260 PolarHBondContact O-N 3.15Å; D257-G260 PolarHBondContact OD1-N 3.32Å; D257-G260 WeakPolarHBondContact OD2-CA 3.34Å; G260-K262 VanDerWaalsContact C-N 3.26Å; G260-K262 PolarHBondContact O-N 2.89Å; G260-I263 WeakPolarHBondContact O-CG1 3.14Å; G260-I263 PolarHBondContact O-N 3.01Å; G260-V264 PolarHBondContact O-N 2.79Å |
| 261 | A | 96.5 | Very high | 97 | Very high | 18 Ų | 18 | 56.4 Ų | 56.4 | 15% | 0.149 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.3 | -34.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | T241 V245 F256 D257 D258 E259 I263 V264 | T241-A261 HydrophobicContact CG2-CB 3.86Å; V245-A261 HydrophobicContact CG2-CB 3.81Å; F256-A261 HydrophobicContact CE1-CB 4.48Å; F256-A261 HydrophobicContact CE2-CB 3.96Å; F256-A261 HydrophobicContact CZ-CB 3.58Å; D257-A261 WeakPolarHBondContact O-CB 3.48Å; D257-A261 PolarHBondContact O-N 2.85Å; D258-A261 PolarHBondContact O-N 2.83Å; E259-A261 VanDerWaalsContact C-N 3.31Å; E259-A261 PolarHBondContact O-N 3.44Å; A261-I263 PolarHBondContact O-N 3.5Å; A261-V264 PolarHBondContact O-N 3.5Å |
| 262 | K | 96.5 | Very high | 97 | Very high | 145 Ų | 145 | 63.2 Ų | 63.2 | 63% | 0.63 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -62.6 | -26.5 | -178.8 | -63.1 | 174 | -166.9 | 168.2 | 0 | 113.1 | E259 G260 | E259-K262 PolarHBondContact O-N 2.86Å; E259-K262 IonicContact OE1-NZ 2.67Å; E259-K262 PolarHBondContact OE1-NZ 3.16Å; E259-K262 IonicContact OE2-NZ 2.76Å; E259-K262 PolarHBondContact OE2-NZ 2.82Å; G260-K262 VanDerWaalsContact C-N 3.26Å; G260-K262 PolarHBondContact O-N 2.89Å |
| 263 | I | 95.6 | Very high | 97 | Very high | 26 Ų | 26 | 69.8 Ų | 69.8 | 13% | 0.133 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -108 | -6.3 | -174.9 | 61.1 | 156.7 | 0 | 0 | 0 | 113.8 | V215 I219 G260 A261 K265 E266 L267 | V215-I263 HydrophobicContact CG1-CD1 4.28Å; I219-I263 HydrophobicContact CB-CD1 4.16Å; I219-I263 HydrophobicContact CD1-CD1 3.41Å; I219-I263 VanDerWaalsContact CD1-CD1 3.41Å; I219-I263 HydrophobicContact CD1-CG1 4.5Å; I219-I263 HydrophobicContact CG1-CD1 3.38Å; I219-I263 HydrophobicContact CG2-CD1 3.79Å; G260-I263 WeakPolarHBondContact O-CG1 3.14Å; G260-I263 PolarHBondContact O-N 3.01Å; A261-I263 PolarHBondContact O-N 3.5Å; I263-K265 VanDerWaalsContact C-N 3.27Å; I263-K265 PolarHBondContact O-N 2.75Å; I263-E266 WeakPolarHBondContact O-CA 3.14Å; I263-E266 WeakPolarHBondContact O-CB 3.36Å; I263-E266 PolarHBondContact O-N 2.84Å; I263-L267 HydrophobicContact CD1-CD1 3.9Å; I263-L267 HydrophobicContact CD1-CG 4.3Å; I263-L267 HydrophobicContact CG1-CD1 4.35Å; I263-L267 WeakPolarHBondContact O-CG 3.12Å; I263-L267 PolarHBondContact O-N 2.83Å |
| 264 | V | 97.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -53 | -45.7 | -177.7 | 163.7 | 0 | 0 | 0 | 0 | 111.4 | T241 F242 V245 L246 G260 A261 E266 L267 M268 | T241-V264 HydrophobicContact CG2-CG2 4.07Å; F242-V264 HydrophobicContact CD1-CG1 3.71Å; F242-V264 HydrophobicContact CD1-CG2 4.33Å; F242-V264 HydrophobicContact CD2-CG2 4.23Å; F242-V264 HydrophobicContact CE1-CG1 4.07Å; F242-V264 HydrophobicContact CE1-CG2 4.42Å; F242-V264 HydrophobicContact CE2-CG2 4.33Å; F242-V264 HydrophobicContact CG-CG1 4.18Å; F242-V264 HydrophobicContact CG-CG2 4.23Å; F242-V264 HydrophobicContact CZ-CG2 4.42Å; V245-V264 HydrophobicContact CB-CB 4.24Å; V245-V264 HydrophobicContact CB-CG1 4.03Å; V245-V264 HydrophobicContact CG1-CB 3.99Å; V245-V264 HydrophobicContact CG1-CG1 3.88Å; V245-V264 HydrophobicContact CG2-CG2 4.44Å; L246-V264 HydrophobicContact CD1-CG1 4.15Å; L246-V264 HydrophobicContact CD2-CG1 3.88Å; L246-V264 HydrophobicContact CG-CG1 3.83Å; G260-V264 PolarHBondContact O-N 2.79Å; A261-V264 PolarHBondContact O-N 3.5Å; V264-E266 VanDerWaalsContact C-N 3.32Å; V264-E266 PolarHBondContact O-N 2.75Å; V264-L267 PolarHBondContact O-N 2.84Å; V264-M268 HydrophobicContact CG1-CG 4.4Å; V264-M268 WeakPolarHBondContact O-CG 3.41Å; V264-M268 PolarHBondContact O-N 3.31Å |
| 265 | K | 97.2 | Very high | 97.1 | Very high | 149 Ų | 149 | 71.9 Ų | 71.9 | 65% | 0.648 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -63.7 | -36.7 | 179.3 | -66.5 | -177 | 179.2 | 179.1 | 0 | 112.5 | V245 I263 M268 A269 | V245-K265 HydrophobicContact CG1-CG 4.2Å; I263-K265 VanDerWaalsContact C-N 3.27Å; I263-K265 PolarHBondContact O-N 2.75Å; K265-M268 PolarHBondContact O-N 2.98Å; K265-A269 WeakPolarHBondContact O-CB 3.41Å; K265-A269 PolarHBondContact O-N 3.21Å |
| 266 | E | 97.3 | Very high | 97.2 | Very high | 99 Ų | 99 | 67.8 Ų | 67.8 | 46% | 0.463 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -65.1 | -44.2 | 174.5 | -173.9 | -161.8 | 142.8 | 0 | 0 | 111 | K223 I263 V264 A269 K270 | K223-E266 VanDerWaalsContact CE-OE1 3.25Å; K223-E266 WeakPolarHBondContact CE-OE1 3.33Å; K223-E266 IonicContact NZ-OE1 2.72Å; K223-E266 PolarHBondContact NZ-OE1 3.44Å; K223-E266 IonicContact NZ-OE2 2.78Å; I263-E266 WeakPolarHBondContact O-CA 3.14Å; I263-E266 WeakPolarHBondContact O-CB 3.36Å; I263-E266 PolarHBondContact O-N 2.84Å; V264-E266 VanDerWaalsContact C-N 3.32Å; V264-E266 PolarHBondContact O-N 2.75Å; E266-A269 PolarHBondContact O-N 2.96Å; E266-K270 PolarHBondContact O-N 2.93Å |
| 267 | L | 97.7 | Very high | 97.2 | Very high | 3 Ų | 3 | 70.2 Ų | 70.2 | 2% | 0.016 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -62.8 | -42.5 | 177.5 | -63.8 | 177.6 | 0 | 0 | 0 | 111.5 | V215 I222 K223 L226 F242 I263 V264 K270 A271 | V215-L267 HydrophobicContact CG1-CD1 4.11Å; I222-L267 HydrophobicContact CD1-CD1 4.25Å; I222-L267 HydrophobicContact CG2-CD1 4.11Å; I222-L267 HydrophobicContact CG2-CD2 4.02Å; I222-L267 HydrophobicContact CG2-CG 4.49Å; K223-L267 HydrophobicContact CG-CD2 3.68Å; L226-L267 HydrophobicContact CD1-CD2 4.47Å; L226-L267 WeakPolarHBondContact CD1-O 3.28Å; F242-L267 HydrophobicContact CZ-CD1 3.83Å; I263-L267 HydrophobicContact CD1-CD1 3.9Å; I263-L267 HydrophobicContact CD1-CG 4.3Å; I263-L267 HydrophobicContact CG1-CD1 4.35Å; I263-L267 WeakPolarHBondContact O-CG 3.12Å; I263-L267 PolarHBondContact O-N 2.83Å; V264-L267 PolarHBondContact O-N 2.84Å; L267-K270 PolarHBondContact O-N 3.05Å; L267-A271 WeakPolarHBondContact O-CB 3.31Å; L267-A271 PolarHBondContact O-N 3.36Å |
| 268 | M | 98.2 | Very high | 97.4 | Very high | 53 Ų | 53 | 71.2 Ų | 71.2 | 26% | 0.261 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -65.3 | -41.8 | 175.7 | -66.8 | -53.3 | -63.8 | 0 | 0 | 112.2 | F242 L246 V264 K265 K270 A271 E272 I278 | F242-M268 HydrophobicContact CD1-SD 4.09Å; F242-M268 HydrophobicContact CE1-SD 4.03Å; L246-M268 HydrophobicContact CD1-CE 4.16Å; L246-M268 HydrophobicContact CD1-CG 3.73Å; L246-M268 HydrophobicContact CD1-SD 3.87Å; L246-M268 HydrophobicContact CD2-CG 3.88Å; L246-M268 HydrophobicContact CG-CG 4.42Å; V264-M268 HydrophobicContact CG1-CG 4.4Å; V264-M268 WeakPolarHBondContact O-CG 3.41Å; V264-M268 PolarHBondContact O-N 3.31Å; K265-M268 PolarHBondContact O-N 2.98Å; M268-K270 VanDerWaalsContact C-N 3.33Å; M268-K270 PolarHBondContact O-N 3.41Å; M268-A271 WeakPolarHBondContact O-CB 3.25Å; M268-A271 PolarHBondContact O-N 3.01Å; M268-E272 PolarHBondContact O-N 2.91Å; M268-I278 HydrophobicContact CE-CB 4.03Å; M268-I278 HydrophobicContact CE-CG1 3.93Å; M268-I278 HydrophobicContact CE-CG2 4.3Å; M268-I278 HydrophobicContact SD-CB 4.39Å; M268-I278 HydrophobicContact SD-CG1 4.05Å; M268-I278 HydrophobicContact SD-CG2 4.19Å |
| 269 | A | 98.2 | Very high | 97.5 | Very high | 54 Ų | 54 | 67 Ų | 67 | 45% | 0.446 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63.8 | -38.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | K265 E266 K273 | K265-A269 WeakPolarHBondContact O-CB 3.41Å; K265-A269 PolarHBondContact O-N 3.21Å; E266-A269 PolarHBondContact O-N 2.96Å; A269-K273 VanDerWaalsContact O-CB 3.3Å; A269-K273 WeakPolarHBondContact O-CB 3.48Å; A269-K273 PolarHBondContact O-N 2.9Å |
| 270 | K | 98.4 | Very high | 97.7 | Very high | 49 Ų | 49 | 63.1 Ų | 63.1 | 21% | 0.213 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -65 | -42.2 | 173 | -178.1 | 178.2 | 172.9 | 72.6 | 0 | 111.6 | K223 L226 D227 E266 L267 M268 K273 N274 | K223-K270 WeakPolarHBondContact O-CE 3.49Å; L226-K270 HydrophobicContact CB-CD 4.18Å; L226-K270 HydrophobicContact CB-CG 4.29Å; L226-K270 HydrophobicContact CD1-CB 4.27Å; L226-K270 HydrophobicContact CD1-CD 4.08Å; L226-K270 HydrophobicContact CD1-CG 4.21Å; D227-K270 WeakPolarHBondContact OD1-CE 3.36Å; D227-K270 IonicContact OD1-NZ 3.35Å; D227-K270 PolarHBondContact OD1-NZ 3.24Å; D227-K270 WeakPolarHBondContact OD2-CE 3.44Å; D227-K270 IonicContact OD2-NZ 2.71Å; D227-K270 PolarHBondContact OD2-NZ 3.19Å; E266-K270 PolarHBondContact O-N 2.93Å; L267-K270 PolarHBondContact O-N 3.05Å; M268-K270 VanDerWaalsContact C-N 3.33Å; M268-K270 PolarHBondContact O-N 3.41Å; K270-K273 PolarHBondContact O-N 2.81Å; K270-N274 WeakPolarHBondContact O-CB 3.36Å; K270-N274 PolarHBondContact O-N 2.85Å |
| 271 | A | 98.5 | Very high | 97.9 | Very high | 1 Ų | 1 | 63.4 Ų | 63.4 | 1% | 0.008 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59.8 | -48.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | L226 L267 M268 N274 N275 V276 I278 | L226-A271 HydrophobicContact CD1-CB 4.46Å; L226-A271 HydrophobicContact CD2-CB 3.76Å; L267-A271 WeakPolarHBondContact O-CB 3.31Å; L267-A271 PolarHBondContact O-N 3.36Å; M268-A271 WeakPolarHBondContact O-CB 3.25Å; M268-A271 PolarHBondContact O-N 3.01Å; A271-N274 CarbonylContact O-C 3.53Å; A271-N274 PolarHBondContact O-N 2.97Å; A271-N275 PolarHBondContact O-N 2.97Å; A271-V276 HydrophobicContact CB-CB 4.14Å; A271-V276 PolarHBondContact O-N 3.17Å; A271-I278 HydrophobicContact CB-CD1 3.69Å; A271-I278 HydrophobicContact CB-CG1 3.65Å |
| 272 | E | 98.3 | Very high | 98 | Very high | 153 Ų | 153 | 65.5 Ų | 65.5 | 72% | 0.715 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -59.4 | -49.3 | 175.9 | -175.4 | 176.6 | -169 | 0 | 0 | 111.7 | M268 N274 N275 | M268-E272 PolarHBondContact O-N 2.91Å; E272-N274 PolarHBondContact O-N 3.07Å; E272-N275 PolarHBondContact O-N 3.24Å |
| 273 | K | 98.4 | Very high | 98.1 | Very high | 171 Ų | 171 | 59.4 Ų | 59.4 | 74% | 0.743 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -54.2 | -38.9 | 176.2 | 177.7 | -177.7 | 173.9 | -178.5 | 0 | 112.6 | A269 K270 N275 | A269-K273 VanDerWaalsContact O-CB 3.3Å; A269-K273 WeakPolarHBondContact O-CB 3.48Å; A269-K273 PolarHBondContact O-N 2.9Å; K270-K273 PolarHBondContact O-N 2.81Å; K273-N275 VanDerWaalsContact C-N 3.34Å |
| 274 | N | 98.3 | Very high | 98.3 | Very high | 51 Ų | 51 | 58.3 Ų | 58.3 | 27% | 0.273 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | 6.8 | -178.1 | -70.3 | -0.8 | 0 | 0 | 0 | 113 | L226 D227 K270 A271 E272 V276 | L226-N274 PolarHBondContact O-ND2 2.93Å; D227-N274 PolarHBondContact OD1-ND2 3.3Å; K270-N274 WeakPolarHBondContact O-CB 3.36Å; K270-N274 PolarHBondContact O-N 2.85Å; A271-N274 CarbonylContact O-C 3.53Å; A271-N274 PolarHBondContact O-N 2.97Å; E272-N274 PolarHBondContact O-N 3.07Å; N274-V276 HydrophobicContact CB-CG2 3.87Å; N274-V276 PolarHBondContact O-N 2.9Å |
| 275 | N | 98.3 | Very high | 98.3 | Very high | 144 Ų | 144 | 58.9 Ų | 58.9 | 77% | 0.77 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.2 | 36.5 | -174.8 | -60.2 | -62.9 | 0 | 0 | 0 | 113.6 | A271 E272 K273 | A271-N275 PolarHBondContact O-N 2.97Å; E272-N275 PolarHBondContact O-N 3.24Å; K273-N275 VanDerWaalsContact C-N 3.34Å |
| 276 | V | 98.7 | Very high | 98.4 | Very high | 9 Ų | 9 | 51.9 Ų | 51.9 | 6% | 0.055 | 26% | 0.262 | C | S | . | . | trans | -88.6 | 121.2 | 175.9 | -175.9 | 0 | 0 | 0 | 0 | 109.8 | L226 V229 N230 M232 A271 N274 I278 | L226-V276 HydrophobicContact CD2-CB 4.09Å; L226-V276 HydrophobicContact CD2-CG1 3.88Å; L226-V276 HydrophobicContact CD2-CG2 4.23Å; L226-V276 WeakPolarHBondContact O-CG2 3.14Å; V229-V276 HydrophobicContact CG2-CG1 3.73Å; V229-V276 HydrophobicContact CG2-CG2 4.37Å; V229-V276 WeakPolarHBondContact O-CG2 3.49Å; N230-V276 WeakPolarHBondContact O-CA 3.44Å; M232-V276 HydrophobicContact CB-CG1 4.21Å; A271-V276 HydrophobicContact CB-CB 4.14Å; A271-V276 PolarHBondContact O-N 3.17Å; N274-V276 HydrophobicContact CB-CG2 3.87Å; N274-V276 PolarHBondContact O-N 2.9Å; V276-I278 HydrophobicContact CG1-CD1 3.97Å; V276-I278 PolarHBondContact O-N 3Å | ||
| 277 | K | 98.6 | Very high | 98.4 | Very high | 116 Ų | 116 | 47.1 Ų | 47.1 | 50% | 0.504 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 114.8 | 173.1 | -172.8 | 176.1 | -179.5 | 178.5 | 0 | 110.4 | N230 E231 M232 H279 | N230-K277 PolarHBondContact O-N 3.44Å; E231-K277 CarbonylContact C-O 3.45Å; E231-K277 VanDerWaalsContact CA-O 3.3Å; E231-K277 WeakPolarHBondContact CA-O 3.28Å; E231-K277 HydrophobicContact CG-CB 4.16Å; M232-K277 PolarHBondContact N-O 3.45Å; K277-H279 VanDerWaalsContact CE-CE1 3.46Å; K277-H279 WeakPolarHBondContact CE-CE1 3.13Å |
| 278 | I | 98.6 | Very high | 98.4 | Very high | 34 Ų | 34 | 50.2 Ų | 50.2 | 17% | 0.174 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 132.8 | 175.2 | -53.8 | -57.2 | 0 | 0 | 0 | 110.1 | L226 M232 I234 M268 A271 V276 L280 | L226-I278 HydrophobicContact CD2-CD1 3.89Å; M232-I278 HydrophobicContact CB-CD1 3.81Å; M232-I278 HydrophobicContact CG-CD1 4.47Å; M232-I278 CarbonylContact O-C 3.5Å; M232-I278 WeakPolarHBondContact O-CA 3.48Å; M232-I278 HydrophobicContact SD-CD1 4.38Å; I234-I278 HydrophobicContact CD1-CG2 4.24Å; M268-I278 HydrophobicContact CE-CB 4.03Å; M268-I278 HydrophobicContact CE-CG1 3.93Å; M268-I278 HydrophobicContact CE-CG2 4.3Å; M268-I278 HydrophobicContact SD-CB 4.39Å; M268-I278 HydrophobicContact SD-CG1 4.05Å; M268-I278 HydrophobicContact SD-CG2 4.19Å; A271-I278 HydrophobicContact CB-CD1 3.69Å; A271-I278 HydrophobicContact CB-CG1 3.65Å; V276-I278 HydrophobicContact CG1-CD1 3.97Å; V276-I278 PolarHBondContact O-N 3Å; I278-L280 HydrophobicContact CG2-CG 4.19Å |
| 279 | H | 98.7 | Very high | 98.4 | Very high | 20 Ų | 20 | 51.8 Ų | 51.8 | 9% | 0.093 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 120.3 | 174.1 | -56.5 | -93.8 | 0 | 0 | 0 | 109.6 | E231 M232 I233 I234 K277 F322 | E231-H279 IonicContact OE2-CD2 3.44Å; E231-H279 IonicContact OE2-CE1 3.27Å; E231-H279 PolarHBondContact OE2-CE1 3.29Å; E231-H279 IonicContact OE2-NE2 3.04Å; E231-H279 PolarHBondContact OE2-NE2 3.22Å; M232-H279 PolarHBondContact O-N 2.9Å; I233-H279 HydrophobicContact CG1-CB 3.86Å; I234-H279 PolarHBondContact N-O 2.82Å; K277-H279 VanDerWaalsContact CE-CE1 3.46Å; K277-H279 WeakPolarHBondContact CE-CE1 3.13Å; H279-F322 HydrophobicContact CB-CD1 4.21Å; H279-F322 HydrophobicContact CB-CE1 3.92Å |
| 280 | L | 98.5 | Very high | 98.4 | Very high | 30 Ų | 30 | 55.5 Ų | 55.5 | 16% | 0.157 | 27% | 0.268 | C | S | . | . | trans | -115.1 | 156.3 | 175.6 | -67.9 | 168 | 0 | 0 | 0 | 109.7 | I234 F242 L243 L246 I278 | I234-L280 HydrophobicContact CB-CD2 3.83Å; I234-L280 HydrophobicContact CG2-CD2 4.05Å; F242-L280 HydrophobicContact CB-CD1 3.99Å; F242-L280 HydrophobicContact CB-CD2 3.74Å; F242-L280 HydrophobicContact CD1-CD2 4.43Å; F242-L280 HydrophobicContact CG-CD2 4.12Å; L243-L280 HydrophobicContact CD2-CB 4.05Å; L243-L280 HydrophobicContact CD2-CD1 4.31Å; L246-L280 HydrophobicContact CD1-CD1 3.94Å; I278-L280 HydrophobicContact CG2-CG 4.19Å | ||
| 281 | P | 98.5 | Very high | 98.3 | Very high | 6 Ų | 6 | 56.1 Ų | 56.1 | 4% | 0.039 | 27% | 0.273 | C | S | . | . | trans | -58.4 | 140.3 | 172.9 | -23 | 34.7 | 0 | 0 | 0 | 111.9 | I234 A239 L243 V301 V314 T318 F322 | I234-P281 WeakPolarHBondContact O-CD 3.41Å; A239-P281 HydrophobicContact CB-CG 4Å; L243-P281 HydrophobicContact CD1-CB 4.46Å; P281-V301 WeakPolarHBondContact O-CG2 3.21Å; P281-V314 HydrophobicContact CB-CG1 4.12Å; P281-V314 HydrophobicContact CG-CG1 3.9Å; P281-T318 WeakPolarHBondContact CA-OG1 3.25Å; P281-T318 HydrophobicContact CB-CG2 3.91Å; P281-T318 HydrophobicContact CG-CG2 4.37Å; P281-F322 HydrophobicContact CG-CZ 4.12Å | ||
| 282 | V | 98.5 | Very high | 98.1 | Very high | 62 Ų | 62 | 60.7 Ų | 60.7 | 38% | 0.376 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -108.1 | -21.7 | 175.8 | -61.3 | 0 | 0 | 0 | 0 | 112.4 | V301 E317 T318 L321 | V282-V301 PolarHBondContact O-N 3.47Å; V282-E317 HydrophobicContact CG2-CB 4.01Å; V282-T318 PolarHBondContact N-OG1 3.02Å; V282-L321 HydrophobicContact CB-CD1 4.4Å; V282-L321 HydrophobicContact CG1-CD1 3.8Å; V282-L321 HydrophobicContact CG2-CD1 3.66Å |
| 283 | D | 98.5 | Very high | 98 | Very high | 18 Ų | 18 | 61.3 Ų | 61.3 | 10% | 0.096 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 151 | 175.3 | 68.2 | -21.3 | 0 | 0 | 0 | 110.1 | A299 G315 P316 E317 T318 | D283-A299 CarbonylContact C-O 3.42Å; D283-A299 WeakPolarHBondContact CA-O 3.48Å; D283-G315 VanDerWaalsContact CG-C 3.48Å; D283-G315 PolarHBondContact O-N 3.08Å; D283-G315 VanDerWaalsContact OD1-C 3.24Å; D283-G315 WeakPolarHBondContact OD1-CA 3.41Å; D283-G315 VanDerWaalsContact OD2-CA 3.31Å; D283-G315 WeakPolarHBondContact OD2-CA 3.49Å; D283-P316 WeakPolarHBondContact OD2-CD 3.36Å; D283-E317 PolarHBondContact OD1-N 2.75Å; D283-E317 PolarHBondContact OD2-N 3.22Å; D283-T318 PolarHBondContact N-OG1 3.12Å; D283-T318 VanDerWaalsContact N-OG1 3.13Å; D283-T318 PolarHBondContact O-OG1 3.03Å; D283-T318 VanDerWaalsContact O-OG1 3.07Å; D283-T318 WeakPolarHBondContact OD1-CB 3.41Å; D283-T318 PolarHBondContact OD1-N 3.11Å; D283-T318 PolarHBondContact OD1-OG1 3.37Å |
| 284 | I | 98.7 | Very high | 98 | Very high | 2 Ų | 2 | 53.5 Ų | 53.5 | 1% | 0.01 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 136.1 | -165.1 | -58.7 | 91 | 0 | 0 | 0 | 108.6 | F240 M249 T286 T298 A299 V301 I305 | F240-I284 HydrophobicContact CE1-CG1 4.16Å; F240-I284 HydrophobicContact CE1-CG2 4.09Å; F240-I284 HydrophobicContact CZ-CG2 4.14Å; M249-I284 HydrophobicContact CE-CD1 3.55Å; M249-I284 HydrophobicContact SD-CD1 4.46Å; I284-T286 HydrophobicContact CG2-CG2 4.02Å; I284-T298 CarbonylContact O-C 3.48Å; I284-T298 VanDerWaalsContact O-CA 3.26Å; I284-T298 WeakPolarHBondContact O-CA 3.33Å; I284-A299 PolarHBondContact N-O 3.12Å; I284-A299 PolarHBondContact O-N 2.83Å; I284-V301 HydrophobicContact CD1-CG2 4.43Å; I284-I305 HydrophobicContact CG2-CD1 4.13Å |
| 285 | V | 98.6 | Very high | 98 | Very high | 12 Ų | 12 | 53.3 Ų | 53.3 | 7% | 0.073 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 126.5 | 164.4 | -178.2 | 0 | 0 | 0 | 0 | 107.9 | V296 L312 D313 F346 | V285-V296 HydrophobicContact CG1-CG1 3.69Å; V285-L312 PolarHBondContact O-N 3.07Å; V285-D313 HydrophobicContact CB-CB 4.07Å; V285-D313 HydrophobicContact CG2-CB 4.49Å; V285-D313 PolarHBondContact N-O 2.82Å; V285-D313 PolarHBondContact O-N 3.24Å; V285-F346 HydrophobicContact CG1-CD1 3.99Å; V285-F346 HydrophobicContact CG1-CE1 4.14Å |
| 286 | T | 98.6 | Very high | 98 | Very high | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.012 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 156.1 | -173.1 | 61.1 | 0 | 0 | 0 | 0 | 112 | I284 V296 G297 T298 A299 I305 M310 | I284-T286 HydrophobicContact CG2-CG2 4.02Å; T286-V296 WeakPolarHBondContact O-CA 3.33Å; T286-G297 PolarHBondContact N-O 3.28Å; T286-G297 PolarHBondContact O-N 2.57Å; T286-G297 VanDerWaalsContact OG1-CA 3.31Å; T286-G297 WeakPolarHBondContact OG1-CA 3.22Å; T286-G297 PolarHBondContact OG1-O 3.15Å; T286-T298 PolarHBondContact OG1-N 2.82Å; T286-A299 HydrophobicContact CG2-CB 3.96Å; T286-I305 HydrophobicContact CG2-CD1 4.29Å; T286-I305 HydrophobicContact CG2-CG1 3.93Å; T286-I305 HydrophobicContact CG2-CG2 4.03Å; T286-M310 CarbonylContact C-O 3.55Å; T286-M310 WeakPolarHBondContact CA-O 3.38Å; T286-M310 WeakPolarHBondContact CB-O 3.07Å |
| 287 | G | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 151.3 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | K289 A295 W309 M310 | G287-K289 VanDerWaalsContact C-N 3.28Å; G287-A295 WeakPolarHBondContact CA-O 3.45Å; G287-W309 CarbonylContact O-C 3.57Å; G287-W309 WeakPolarHBondContact O-CA 3.48Å; G287-M310 PolarHBondContact N-O 2.93Å; G287-M310 PolarHBondContact O-N 3.34Å |
| 288 | D | 97.9 | Very high | 97.9 | Very high | 67 Ų | 67 | 50.2 Ų | 50.2 | 36% | 0.358 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -77.8 | -12.8 | 174.1 | 67.3 | -23.6 | 0 | 0 | 0 | 113.4 | A294 A295 W309 | D288-A294 VanDerWaalsContact OD1-CA 3.32Å; D288-A294 WeakPolarHBondContact OD1-CA 3.39Å; D288-A294 WeakPolarHBondContact OD1-CB 3.21Å; D288-A295 HydrophobicContact CB-CB 4.41Å; D288-A295 PolarHBondContact N-O 2.89Å; D288-A295 PolarHBondContact OD1-N 2.9Å; D288-W309 HydrophobicContact CB-CD2 4.16Å; D288-W309 HydrophobicContact CB-CE3 4.26Å; D288-W309 HydrophobicContact CB-CH2 4.21Å; D288-W309 HydrophobicContact CB-CZ2 4.1Å; D288-W309 HydrophobicContact CB-CZ3 4.28Å |
| 289 | K | 97.5 | Very high | 97.9 | Very high | 87 Ų | 87 | 49 Ų | 49 | 38% | 0.378 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -154.2 | 164.2 | 175.1 | 55.6 | 175.8 | 174.4 | 159.1 | 0 | 110.8 | G287 D291 K293 A294 | G287-K289 VanDerWaalsContact C-N 3.28Å; K289-D291 VanDerWaalsContact C-N 3.33Å; K289-D291 HydrophobicContact CD-CB 3.7Å; K289-D291 WeakPolarHBondContact CE-OD1 3.27Å; K289-D291 HydrophobicContact CG-CB 3.83Å; K289-D291 IonicContact NZ-OD1 3.56Å; K289-D291 PolarHBondContact NZ-OD1 3.31Å; K289-D291 PolarHBondContact O-N 2.85Å; K289-D291 VanDerWaalsContact O-N 3.14Å; K289-K293 WeakPolarHBondContact CE-O 3.37Å; K289-A294 HydrophobicContact CG-CB 3.81Å; K289-A294 VanDerWaalsContact O-CB 3.29Å; K289-A294 WeakPolarHBondContact O-CB 3.19Å |
| 290 | F | 96.8 | Very high | 97.9 | Very high | 132 Ų | 132 | 50.5 Ų | 50.5 | 58% | 0.579 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -85.4 | 75.9 | 173.3 | -167 | -96.2 | 0 | 0 | 0 | 109.9 | M310 L312 V340 W343 | F290-M310 HydrophobicContact CB-SD 3.85Å; F290-M310 HydrophobicContact CD2-SD 4.4Å; F290-L312 HydrophobicContact CD2-CD2 3.61Å; F290-L312 HydrophobicContact CE2-CD2 3.93Å; F290-V340 HydrophobicContact CE2-CG2 3.91Å; F290-V340 HydrophobicContact CZ-CG1 4.41Å; F290-V340 HydrophobicContact CZ-CG2 4.39Å; F290-W343 VanDerWaalsContact C-CH2 3.49Å; F290-W343 AromaticContact CD1-CH2 3.56Å; F290-W343 HydrophobicContact CD1-CH2 3.56Å; F290-W343 HydrophobicContact CD1-CZ2 4.49Å; F290-W343 HydrophobicContact CD1-CZ3 4.3Å; F290-W343 HydrophobicContact CD2-CH2 4.32Å; F290-W343 HydrophobicContact CD2-CZ3 4.28Å; F290-W343 AromaticContact CE1-CH2 3.52Å; F290-W343 HydrophobicContact CE1-CH2 3.52Å; F290-W343 HydrophobicContact CE1-CZ2 4.22Å; F290-W343 HydrophobicContact CE1-CZ3 4.3Å; F290-W343 HydrophobicContact CE2-CH2 4.3Å; F290-W343 HydrophobicContact CE2-CZ3 4.29Å; F290-W343 AromaticContact CG-CH2 3.96Å; F290-W343 HydrophobicContact CG-CH2 3.96Å; F290-W343 HydrophobicContact CG-CZ3 4.27Å; F290-W343 AromaticContact CZ-CH2 3.91Å; F290-W343 HydrophobicContact CZ-CH2 3.91Å; F290-W343 HydrophobicContact CZ-CZ3 4.29Å |
| 291 | D | 96.5 | Very high | 97.8 | Very high | 61 Ų | 61 | 50.4 Ų | 50.4 | 33% | 0.326 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -153.5 | 146.8 | -175.4 | -176.6 | -113 | 0 | 0 | 0 | 109.9 | K289 K293 A294 | K289-D291 VanDerWaalsContact C-N 3.33Å; K289-D291 HydrophobicContact CD-CB 3.7Å; K289-D291 WeakPolarHBondContact CE-OD1 3.27Å; K289-D291 HydrophobicContact CG-CB 3.83Å; K289-D291 IonicContact NZ-OD1 3.56Å; K289-D291 PolarHBondContact NZ-OD1 3.31Å; K289-D291 PolarHBondContact O-N 2.85Å; K289-D291 VanDerWaalsContact O-N 3.14Å; D291-K293 PolarHBondContact O-N 3.08Å; D291-K293 VanDerWaalsContact O-N 3.1Å; D291-K293 WeakPolarHBondContact OD1-CB 3.37Å; D291-K293 PolarHBondContact OD1-N 3.15Å; D291-K293 VanDerWaalsContact OD1-N 3.13Å; D291-A294 VanDerWaalsContact O-CB 3.26Å; D291-A294 WeakPolarHBondContact O-CB 3.48Å; D291-A294 PolarHBondContact O-N 3.25Å |
| 292 | E | 96 | Very high | 97.7 | Very high | 97 Ų | 97 | 59.4 Ų | 59.4 | 45% | 0.453 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -31.8 | 178.5 | -175 | 175.2 | -157.4 | 0 | 0 | 112.6 | W343 N345 | E292-W343 HydrophobicContact CB-CB 4.33Å; E292-W343 HydrophobicContact CB-CD2 4.02Å; E292-W343 HydrophobicContact CB-CG 3.73Å; E292-W343 HydrophobicContact CG-CB 4.01Å; E292-W343 HydrophobicContact CG-CG 3.85Å; E292-N345 PolarHBondContact O-ND2 3.18Å; E292-N345 VanDerWaalsContact O-ND2 3.09Å |
| 293 | K | 96 | Very high | 97.7 | Very high | 167 Ų | 167 | 61.9 Ų | 61.9 | 73% | 0.726 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.7 | 24.8 | -178.6 | -52.2 | 178.2 | -178.6 | 176.8 | 0 | 112.7 | K289 D291 | K289-K293 WeakPolarHBondContact CE-O 3.37Å; D291-K293 PolarHBondContact O-N 3.08Å; D291-K293 VanDerWaalsContact O-N 3.1Å; D291-K293 WeakPolarHBondContact OD1-CB 3.37Å; D291-K293 PolarHBondContact OD1-N 3.15Å; D291-K293 VanDerWaalsContact OD1-N 3.13Å |
| 294 | A | 97.3 | Very high | 97.6 | Very high | 6 Ų | 6 | 61.3 Ų | 61.3 | 5% | 0.05 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | trans | -60.2 | 145.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | D288 K289 D291 V296 F346 | D288-A294 VanDerWaalsContact OD1-CA 3.32Å; D288-A294 WeakPolarHBondContact OD1-CA 3.39Å; D288-A294 WeakPolarHBondContact OD1-CB 3.21Å; K289-A294 HydrophobicContact CG-CB 3.81Å; K289-A294 VanDerWaalsContact O-CB 3.29Å; K289-A294 WeakPolarHBondContact O-CB 3.19Å; D291-A294 VanDerWaalsContact O-CB 3.26Å; D291-A294 WeakPolarHBondContact O-CB 3.48Å; D291-A294 PolarHBondContact O-N 3.25Å; A294-V296 PolarHBondContact O-N 3.16Å; A294-F346 HydrophobicContact CB-CE2 4.22Å; A294-F346 HydrophobicContact CB-CZ 3.98Å |
| 295 | A | 98 | Very high | 97.6 | Very high | 48 Ų | 48 | 61.4 Ų | 61.4 | 40% | 0.397 | 32% | 0.322 | S | S | . | . | P | Polyproline II helix | trans | -64.4 | 130.2 | 165.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | G287 D288 W309 | G287-A295 WeakPolarHBondContact CA-O 3.45Å; D288-A295 HydrophobicContact CB-CB 4.41Å; D288-A295 PolarHBondContact N-O 2.89Å; D288-A295 PolarHBondContact OD1-N 2.9Å; A295-W309 HydrophobicContact CB-CH2 4.08Å; A295-W309 WeakPolarHBondContact O-CZ3 3.26Å |
| 296 | V | 98.2 | Very high | 97.6 | Very high | 74 Ų | 74 | 64 Ų | 64 | 45% | 0.448 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 134.1 | -176.3 | -178.3 | 0 | 0 | 0 | 0 | 110 | V285 T286 A294 N345 F346 | V285-V296 HydrophobicContact CG1-CG1 3.69Å; T286-V296 WeakPolarHBondContact O-CA 3.33Å; A294-V296 PolarHBondContact O-N 3.16Å; V296-N345 HydrophobicContact CG2-CB 3.8Å; V296-F346 HydrophobicContact CG2-CE1 4.22Å; V296-F346 HydrophobicContact CG2-CZ 4.11Å |
| 297 | G | 98.2 | Very high | 97.5 | Very high | 18 Ų | 18 | 72.7 Ų | 72.7 | 19% | 0.186 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | -175.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | T286 | T286-G297 PolarHBondContact N-O 3.28Å; T286-G297 PolarHBondContact O-N 2.57Å; T286-G297 VanDerWaalsContact OG1-CA 3.31Å; T286-G297 WeakPolarHBondContact OG1-CA 3.22Å; T286-G297 PolarHBondContact OG1-O 3.15Å |
| 298 | T | 98.2 | Very high | 97.5 | Very high | 112 Ų | 112 | 74 Ų | 74 | 69% | 0.687 | 39% | 0.393 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 156.4 | 173.7 | 58.9 | 0 | 0 | 0 | 0 | 110.7 | I284 T286 | I284-T298 CarbonylContact O-C 3.48Å; I284-T298 VanDerWaalsContact O-CA 3.26Å; I284-T298 WeakPolarHBondContact O-CA 3.33Å; T286-T298 PolarHBondContact OG1-N 2.82Å |
| 299 | A | 98.2 | Very high | 97.5 | Very high | 8 Ų | 8 | 74.2 Ų | 74.2 | 7% | 0.066 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 153.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | D283 I284 T286 G304 I305 | D283-A299 CarbonylContact C-O 3.42Å; D283-A299 WeakPolarHBondContact CA-O 3.48Å; I284-A299 PolarHBondContact N-O 3.12Å; I284-A299 PolarHBondContact O-N 2.83Å; T286-A299 HydrophobicContact CG2-CB 3.96Å; A299-G304 WeakPolarHBondContact CB-O 3.34Å; A299-I305 HydrophobicContact CB-CB 4.41Å; A299-I305 HydrophobicContact CB-CG1 3.69Å |
| 300 | T | 98.4 | Very high | 97.5 | Very high | 51 Ų | 51 | 71.2 Ų | 71.2 | 31% | 0.313 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 160.9 | 169.7 | 72.6 | 0 | 0 | 0 | 0 | 109.8 | K302 D303 G304 | T300-K302 PolarHBondContact O-N 3.03Å; T300-K302 PolarHBondContact OG1-N 2.77Å; T300-D303 PolarHBondContact O-N 3.4Å; T300-D303 WeakPolarHBondContact OG1-CB 3.49Å; T300-D303 VanDerWaalsContact OG1-CG 3.22Å; T300-D303 PolarHBondContact OG1-N 3.22Å; T300-D303 PolarHBondContact OG1-OD2 2.8Å; T300-G304 WeakPolarHBondContact O-CA 3.28Å; T300-G304 PolarHBondContact O-N 3.32Å |
| 301 | V | 97.1 | Very high | 97.6 | Very high | 29 Ų | 29 | 65.4 Ų | 65.4 | 18% | 0.176 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -33.3 | 172.2 | 170.1 | 0 | 0 | 0 | 0 | 111.9 | L243 N247 M249 P281 V282 I284 | L243-V301 HydrophobicContact CD1-CG2 4.23Å; L243-V301 HydrophobicContact CD2-CG1 4.41Å; L243-V301 HydrophobicContact CD2-CG2 3.79Å; N247-V301 HydrophobicContact CB-CG1 3.88Å; M249-V301 HydrophobicContact SD-CB 4.26Å; M249-V301 HydrophobicContact SD-CG1 4.35Å; M249-V301 HydrophobicContact SD-CG2 3.95Å; P281-V301 WeakPolarHBondContact O-CG2 3.21Å; V282-V301 PolarHBondContact O-N 3.47Å; I284-V301 HydrophobicContact CD1-CG2 4.43Å |
| 302 | K | 96.7 | Very high | 97.7 | Very high | 194 Ų | 194 | 63 Ų | 63 | 84% | 0.843 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -46.5 | 179.7 | -176.8 | -176.4 | 175.5 | -173 | 0 | 112.2 | T300 | T300-K302 PolarHBondContact O-N 3.03Å; T300-K302 PolarHBondContact OG1-N 2.77Å |
| 303 | D | 97.4 | Very high | 97.8 | Very high | 114 Ų | 114 | 58.6 Ų | 58.6 | 61% | 0.61 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -27.8 | -175 | -55 | -42.5 | 0 | 0 | 0 | 111.7 | T300 | T300-D303 PolarHBondContact O-N 3.4Å; T300-D303 WeakPolarHBondContact OG1-CB 3.49Å; T300-D303 VanDerWaalsContact OG1-CG 3.22Å; T300-D303 PolarHBondContact OG1-N 3.22Å; T300-D303 PolarHBondContact OG1-OD2 2.8Å |
| 304 | G | 97.8 | Very high | 97.9 | Very high | 7 Ų | 7 | 50.9 Ų | 50.9 | 7% | 0.072 | 29% | 0.287 | C | S | . | . | trans | 75.9 | 170.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | K250 A299 T300 | K250-G304 CarbonylContact O-C 3.58Å; K250-G304 WeakPolarHBondContact O-CA 3.41Å; A299-G304 WeakPolarHBondContact CB-O 3.34Å; T300-G304 WeakPolarHBondContact O-CA 3.28Å; T300-G304 PolarHBondContact O-N 3.32Å | ||
| 305 | I | 98.4 | Very high | 98 | Very high | 3 Ų | 3 | 50.6 Ų | 50.6 | 2% | 0.015 | 29% | 0.285 | C | S | . | . | B | Isolated β-bridge | trans | -84.2 | 130 | 175.4 | -62.3 | 168.9 | 0 | 0 | 0 | 108.6 | F240 M249 K250 G252 S254 I284 T286 A299 W309 | F240-I305 HydrophobicContact CD1-CD1 4.13Å; F240-I305 HydrophobicContact CE1-CD1 3.67Å; F240-I305 HydrophobicContact CZ-CD1 4.41Å; M249-I305 HydrophobicContact CE-CD1 4.25Å; M249-I305 HydrophobicContact CE-CG1 3.94Å; K250-I305 PolarHBondContact O-N 3.49Å; G252-I305 PolarHBondContact N-O 3.06Å; S254-I305 VanDerWaalsContact OG-CD1 3.3Å; S254-I305 WeakPolarHBondContact OG-CD1 3.29Å; I284-I305 HydrophobicContact CG2-CD1 4.13Å; T286-I305 HydrophobicContact CG2-CD1 4.29Å; T286-I305 HydrophobicContact CG2-CG1 3.93Å; T286-I305 HydrophobicContact CG2-CG2 4.03Å; A299-I305 HydrophobicContact CB-CB 4.41Å; A299-I305 HydrophobicContact CB-CG1 3.69Å; I305-W309 HydrophobicContact CG2-CB 3.85Å |
| 306 | P | 97.4 | Very high | 98 | Very high | 68 Ų | 68 | 51.5 Ų | 51.5 | 44% | 0.442 | 29% | 0.287 | S | S | . | . | P | Polyproline II helix | trans | -58.7 | 152.9 | 177.9 | -24.8 | 34.1 | 0 | 0 | 0 | 113.7 | G308 W309 | P306-G308 PolarHBondContact O-N 2.76Å; P306-W309 HydrophobicContact CB-CB 4.49Å; P306-W309 HydrophobicContact CB-CG 4.33Å; P306-W309 PolarHBondContact O-N 3.29Å; P306-W309 VanDerWaalsContact O-N 3.14Å |
| 307 | E | 97.6 | Very high | 98 | Very high | 184 Ų | 184 | 52.3 Ų | 52.3 | 86% | 0.86 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51 | 137.1 | 167.5 | -80.9 | -87.7 | 148.1 | 0 | 0 | 110.7 | W309 | E307-W309 PolarHBondContact O-N 2.95Š|
| 308 | G | 97.3 | Very high | 98.1 | Very high | 26 Ų | 26 | 51.4 Ų | 51.4 | 27% | 0.268 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.6 | -21.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | P306 | P306-G308 PolarHBondContact O-N 2.76Š|
| 309 | W | 98.5 | Very high | 98.1 | Very high | 73 Ų | 73 | 49 Ų | 49 | 28% | 0.277 | 26% | 0.255 | S | S | . | . | trans | -94.6 | 162.3 | 178.8 | -69 | 70.1 | 0 | 0 | 0 | 112.1 | G252 K253 G287 D288 A295 I305 P306 E307 | G252-W309 CarbonylContact C-O 3.54Å; G252-W309 WeakPolarHBondContact CA-O 3.37Å; K253-W309 PolarHBondContact N-O 2.9Å; G287-W309 CarbonylContact O-C 3.57Å; G287-W309 WeakPolarHBondContact O-CA 3.48Å; D288-W309 HydrophobicContact CB-CD2 4.16Å; D288-W309 HydrophobicContact CB-CE3 4.26Å; D288-W309 HydrophobicContact CB-CH2 4.21Å; D288-W309 HydrophobicContact CB-CZ2 4.1Å; D288-W309 HydrophobicContact CB-CZ3 4.28Å; A295-W309 HydrophobicContact CB-CH2 4.08Å; A295-W309 WeakPolarHBondContact O-CZ3 3.26Å; I305-W309 HydrophobicContact CG2-CB 3.85Å; P306-W309 HydrophobicContact CB-CB 4.49Å; P306-W309 HydrophobicContact CB-CG 4.33Å; P306-W309 PolarHBondContact O-N 3.29Å; P306-W309 VanDerWaalsContact O-N 3.14Å; E307-W309 PolarHBondContact O-N 2.95Å | ||
| 310 | M | 98.6 | Very high | 98.1 | Very high | 24 Ų | 24 | 54.2 Ų | 54.2 | 12% | 0.118 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 148.8 | 176.8 | 62.4 | -161.9 | 70.6 | 0 | 0 | 111.5 | K253 S254 T286 G287 F290 L312 | K253-M310 HydrophobicContact CB-CB 4.37Å; K253-M310 HydrophobicContact CB-CE 3.97Å; K253-M310 HydrophobicContact CD-CE 4.39Å; S254-M310 WeakPolarHBondContact OG-CA 3.21Å; T286-M310 CarbonylContact C-O 3.55Å; T286-M310 WeakPolarHBondContact CA-O 3.38Å; T286-M310 WeakPolarHBondContact CB-O 3.07Å; G287-M310 PolarHBondContact N-O 2.93Å; G287-M310 PolarHBondContact O-N 3.34Å; F290-M310 HydrophobicContact CB-SD 3.85Å; F290-M310 HydrophobicContact CD2-SD 4.4Å; M310-L312 HydrophobicContact CG-CD1 4.3Å; M310-L312 HydrophobicContact CG-CD2 3.89Å; M310-L312 HydrophobicContact CG-CG 3.99Å; M310-L312 HydrophobicContact SD-CD2 4.22Å |
| 311 | G | 98.4 | Very high | 98.1 | Very high | 9 Ų | 9 | 55.4 Ų | 55.4 | 9% | 0.093 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 129.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | F240 S254 | F240-G311 WeakPolarHBondContact CE2-O 3.45Å; S254-G311 PolarHBondContact OG-N 3.03Å |
| 312 | L | 98.2 | Very high | 98.2 | Very high | 12 Ų | 12 | 54.2 Ų | 54.2 | 6% | 0.063 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | -13.8 | -174.2 | -63.7 | 177.7 | 0 | 0 | 0 | 113.1 | V285 F290 M310 G339 V340 F346 | V285-L312 PolarHBondContact O-N 3.07Å; F290-L312 HydrophobicContact CD2-CD2 3.61Å; F290-L312 HydrophobicContact CE2-CD2 3.93Å; M310-L312 HydrophobicContact CG-CD1 4.3Å; M310-L312 HydrophobicContact CG-CD2 3.89Å; M310-L312 HydrophobicContact CG-CG 3.99Å; M310-L312 HydrophobicContact SD-CD2 4.22Å; L312-G339 CarbonylContact O-C 3.57Å; L312-G339 WeakPolarHBondContact O-CA 3.27Å; L312-V340 HydrophobicContact CB-CG2 4.29Å; L312-V340 HydrophobicContact CD2-CG2 4.02Å; L312-V340 PolarHBondContact O-N 3.41Å; L312-F346 HydrophobicContact CB-CB 4.19Å; L312-F346 HydrophobicContact CB-CD1 3.44Å; L312-F346 VanDerWaalsContact CB-CD1 3.44Å; L312-F346 HydrophobicContact CB-CD2 4.34Å; L312-F346 HydrophobicContact CB-CE1 3.84Å; L312-F346 HydrophobicContact CB-CG 3.72Å; L312-F346 HydrophobicContact CB-CZ 4.43Å; L312-F346 HydrophobicContact CD1-CD1 4.1Å; L312-F346 HydrophobicContact CD1-CD2 4.09Å; L312-F346 HydrophobicContact CD1-CE1 3.74Å; L312-F346 HydrophobicContact CD1-CE2 3.7Å; L312-F346 HydrophobicContact CD1-CG 4.26Å; L312-F346 HydrophobicContact CD1-CZ 3.52Å; L312-F346 HydrophobicContact CG-CD1 4.39Å; L312-F346 HydrophobicContact CG-CE1 4.36Å |
| 313 | D | 98.3 | Very high | 98.3 | Very high | 4 Ų | 4 | 46.6 Ų | 46.6 | 2% | 0.021 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.9 | 169.1 | 172.7 | -171.3 | 22.9 | 0 | 0 | 0 | 110.6 | V285 R319 F346 S348 G349 | V285-D313 HydrophobicContact CB-CB 4.07Å; V285-D313 HydrophobicContact CG2-CB 4.49Å; V285-D313 PolarHBondContact N-O 2.82Å; V285-D313 PolarHBondContact O-N 3.24Å; D313-R319 IonicContact OD2-NH2 3.34Å; D313-F346 HydrophobicContact CB-CB 4.06Å; D313-F346 WeakPolarHBondContact CB-O 3.43Å; D313-F346 VanDerWaalsContact CG-O 3.23Å; D313-S348 PolarHBondContact OD2-N 2.78Å; D313-G349 VanDerWaalsContact OD1-CA 3.23Å; D313-G349 WeakPolarHBondContact OD1-CA 3.33Å; D313-G349 PolarHBondContact OD1-N 2.82Å; D313-G349 PolarHBondContact OD2-N 2.95Å |
| 314 | V | 98.7 | Very high | 98.4 | Very high | 5 Ų | 5 | 45.7 Ų | 45.7 | 3% | 0.03 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 140.9 | 177 | -66.9 | 0 | 0 | 0 | 0 | 111.9 | P281 T318 R319 F322 P338 | P281-V314 HydrophobicContact CB-CG1 4.12Å; P281-V314 HydrophobicContact CG-CG1 3.9Å; V314-T318 HydrophobicContact CB-CG2 3.63Å; V314-T318 HydrophobicContact CG1-CG2 3.77Å; V314-T318 HydrophobicContact CG2-CG2 4.25Å; V314-R319 HydrophobicContact CG2-CG 4.07Å; V314-R319 PolarHBondContact O-NE 2.93Å; V314-R319 PolarHBondContact O-NH2 2.66Å; V314-F322 HydrophobicContact CG1-CE2 4.09Å; V314-P338 HydrophobicContact CG1-CB 3.95Å; V314-P338 HydrophobicContact CG2-CB 4.14Å; V314-P338 HydrophobicContact CG2-CG 4.23Å |
| 315 | G | 98.5 | Very high | 98.4 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.238 | C | C | . | . | trans | -74.8 | 170.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | D283 E317 T318 R319 | D283-G315 VanDerWaalsContact CG-C 3.48Å; D283-G315 PolarHBondContact O-N 3.08Å; D283-G315 VanDerWaalsContact OD1-C 3.24Å; D283-G315 WeakPolarHBondContact OD1-CA 3.41Å; D283-G315 VanDerWaalsContact OD2-CA 3.31Å; D283-G315 WeakPolarHBondContact OD2-CA 3.49Å; G315-E317 VanDerWaalsContact C-N 3.32Å; G315-E317 PolarHBondContact O-N 3.22Å; G315-T318 PolarHBondContact O-N 3.19Å; G315-R319 VanDerWaalsContact O-CG 3.28Å; G315-R319 WeakPolarHBondContact O-CG 3.35Å; G315-R319 PolarHBondContact O-N 3.46Å | ||
| 316 | P | 98.4 | Very high | 98.4 | Very high | 66 Ų | 66 | 45.2 Ų | 45.2 | 43% | 0.429 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -58.4 | -34.7 | -176.2 | 23.6 | -35 | 0 | 0 | 0 | 114.9 | D283 R319 K320 | D283-P316 WeakPolarHBondContact OD2-CD 3.36Å; P316-R319 PolarHBondContact O-N 3.25Å; P316-K320 WeakPolarHBondContact O-CG 3.41Å; P316-K320 PolarHBondContact O-N 2.99Å |
| 317 | E | 98.6 | Very high | 98.5 | Very high | 91 Ų | 91 | 44.8 Ų | 44.8 | 43% | 0.425 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -73.1 | -39.6 | 179.4 | -62.9 | -50.8 | 125.6 | 0 | 0 | 111.3 | V282 D283 G315 R319 K320 L321 | V282-E317 HydrophobicContact CG2-CB 4.01Å; D283-E317 PolarHBondContact OD1-N 2.75Å; D283-E317 PolarHBondContact OD2-N 3.22Å; G315-E317 VanDerWaalsContact C-N 3.32Å; G315-E317 PolarHBondContact O-N 3.22Å; E317-R319 VanDerWaalsContact C-N 3.3Å; E317-R319 PolarHBondContact O-N 3.45Å; E317-K320 PolarHBondContact O-N 3.44Å; E317-K320 IonicContact OE1-NZ 3.62Å; E317-K320 PolarHBondContact OE1-NZ 2.62Å; E317-K320 IonicContact OE2-NZ 3.71Å; E317-K320 PolarHBondContact OE2-NZ 2.85Å; E317-L321 WeakPolarHBondContact O-CG 3.28Å; E317-L321 PolarHBondContact O-N 3.29Å |
| 318 | T | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.1 | -40.4 | 172.4 | -59.2 | 0 | 0 | 0 | 0 | 111.2 | P281 V282 D283 V314 G315 K320 L321 F322 | P281-T318 WeakPolarHBondContact CA-OG1 3.25Å; P281-T318 HydrophobicContact CB-CG2 3.91Å; P281-T318 HydrophobicContact CG-CG2 4.37Å; V282-T318 PolarHBondContact N-OG1 3.02Å; D283-T318 PolarHBondContact N-OG1 3.12Å; D283-T318 VanDerWaalsContact N-OG1 3.13Å; D283-T318 PolarHBondContact O-OG1 3.03Å; D283-T318 VanDerWaalsContact O-OG1 3.07Å; D283-T318 WeakPolarHBondContact OD1-CB 3.41Å; D283-T318 PolarHBondContact OD1-N 3.11Å; D283-T318 PolarHBondContact OD1-OG1 3.37Å; V314-T318 HydrophobicContact CB-CG2 3.63Å; V314-T318 HydrophobicContact CG1-CG2 3.77Å; V314-T318 HydrophobicContact CG2-CG2 4.25Å; G315-T318 PolarHBondContact O-N 3.19Å; T318-K320 VanDerWaalsContact C-N 3.31Å; T318-K320 PolarHBondContact O-N 3.12Å; T318-L321 PolarHBondContact O-N 2.88Å; T318-F322 HydrophobicContact CG2-CD1 4.08Å; T318-F322 HydrophobicContact CG2-CD2 3.66Å; T318-F322 HydrophobicContact CG2-CE1 3.78Å; T318-F322 HydrophobicContact CG2-CE2 3.39Å; T318-F322 HydrophobicContact CG2-CG 4.04Å; T318-F322 HydrophobicContact CG2-CZ 3.45Å; T318-F322 VanDerWaalsContact CG2-CZ 3.45Å; T318-F322 WeakPolarHBondContact O-CB 3.45Å; T318-F322 WeakPolarHBondContact O-CG 3.49Å; T318-F322 PolarHBondContact O-N 3.48Å |
| 319 | R | 98.6 | Very high | 98.6 | Very high | 61 Ų | 61 | 39.8 Ų | 39.8 | 23% | 0.23 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58.6 | -42.5 | 176.6 | -68.7 | 169.2 | -154 | 177.5 | -1.3 | 111.7 | D313 V314 G315 P316 E317 A323 S348 A352 | D313-R319 IonicContact OD2-NH2 3.34Å; V314-R319 HydrophobicContact CG2-CG 4.07Å; V314-R319 PolarHBondContact O-NE 2.93Å; V314-R319 PolarHBondContact O-NH2 2.66Å; G315-R319 VanDerWaalsContact O-CG 3.28Å; G315-R319 WeakPolarHBondContact O-CG 3.35Å; G315-R319 PolarHBondContact O-N 3.46Å; P316-R319 PolarHBondContact O-N 3.25Å; E317-R319 VanDerWaalsContact C-N 3.3Å; E317-R319 PolarHBondContact O-N 3.45Å; R319-A323 VanDerWaalsContact O-CB 3.23Å; R319-A323 WeakPolarHBondContact O-CB 3.43Å; R319-A323 PolarHBondContact O-N 3.33Å; R319-S348 VanDerWaalsContact CZ-CB 3.47Å; R319-S348 VanDerWaalsContact NH1-CB 3.31Å; R319-A352 HydrophobicContact CB-CB 4.2Å; R319-A352 HydrophobicContact CG-CB 4.03Å |
| 320 | K | 98.7 | Very high | 98.5 | Very high | 118 Ų | 118 | 41 Ų | 41 | 51% | 0.513 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -63.3 | -50.1 | 175.7 | -65.1 | 169.5 | -172.7 | 165.9 | 0 | 111.2 | P316 E317 T318 F322 A323 D324 | P316-K320 WeakPolarHBondContact O-CG 3.41Å; P316-K320 PolarHBondContact O-N 2.99Å; E317-K320 PolarHBondContact O-N 3.44Å; E317-K320 IonicContact OE1-NZ 3.62Å; E317-K320 PolarHBondContact OE1-NZ 2.62Å; E317-K320 IonicContact OE2-NZ 3.71Å; E317-K320 PolarHBondContact OE2-NZ 2.85Å; T318-K320 VanDerWaalsContact C-N 3.31Å; T318-K320 PolarHBondContact O-N 3.12Å; K320-F322 VanDerWaalsContact C-N 3.33Å; K320-F322 PolarHBondContact O-N 3.34Å; K320-A323 PolarHBondContact O-N 3.49Å; K320-D324 PolarHBondContact O-N 3.37Å |
| 321 | L | 98.6 | Very high | 98.5 | Very high | 76 Ų | 76 | 39.9 Ų | 39.9 | 40% | 0.398 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -59.5 | -42.6 | 179.7 | -68.5 | 174.1 | 0 | 0 | 0 | 112.6 | V282 E317 T318 D324 A325 | V282-L321 HydrophobicContact CB-CD1 4.4Å; V282-L321 HydrophobicContact CG1-CD1 3.8Å; V282-L321 HydrophobicContact CG2-CD1 3.66Å; E317-L321 WeakPolarHBondContact O-CG 3.28Å; E317-L321 PolarHBondContact O-N 3.29Å; T318-L321 PolarHBondContact O-N 2.88Å; L321-D324 PolarHBondContact O-N 3Å; L321-A325 PolarHBondContact O-N 2.97Å; L321-A325 VanDerWaalsContact O-N 3.16Å |
| 322 | F | 98.7 | Very high | 98.5 | Very high | 3 Ų | 3 | 39.5 Ų | 39.5 | 1% | 0.013 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -68.1 | -42.3 | 176.7 | -71.8 | -2.2 | 0 | 0 | 0 | 111.4 | I233 H279 P281 V314 T318 K320 D324 A325 I326 M353 | I233-F322 HydrophobicContact CD1-CB 4.04Å; I233-F322 HydrophobicContact CD1-CD1 4.16Å; I233-F322 HydrophobicContact CD1-CG 4.11Å; I233-F322 HydrophobicContact CG1-CD1 4.03Å; I233-F322 HydrophobicContact CG1-CE1 4.34Å; I233-F322 HydrophobicContact CG1-CG 4.42Å; I233-F322 HydrophobicContact CG2-CD1 3.96Å; I233-F322 HydrophobicContact CG2-CD2 3.93Å; I233-F322 HydrophobicContact CG2-CE1 3.74Å; I233-F322 HydrophobicContact CG2-CE2 3.65Å; I233-F322 HydrophobicContact CG2-CG 4.04Å; I233-F322 HydrophobicContact CG2-CZ 3.56Å; H279-F322 HydrophobicContact CB-CD1 4.21Å; H279-F322 HydrophobicContact CB-CE1 3.92Å; P281-F322 HydrophobicContact CG-CZ 4.12Å; V314-F322 HydrophobicContact CG1-CE2 4.09Å; T318-F322 HydrophobicContact CG2-CD1 4.08Å; T318-F322 HydrophobicContact CG2-CD2 3.66Å; T318-F322 HydrophobicContact CG2-CE1 3.78Å; T318-F322 HydrophobicContact CG2-CE2 3.39Å; T318-F322 HydrophobicContact CG2-CG 4.04Å; T318-F322 HydrophobicContact CG2-CZ 3.45Å; T318-F322 VanDerWaalsContact CG2-CZ 3.45Å; T318-F322 WeakPolarHBondContact O-CB 3.45Å; T318-F322 WeakPolarHBondContact O-CG 3.49Å; T318-F322 PolarHBondContact O-N 3.48Å; K320-F322 VanDerWaalsContact C-N 3.33Å; K320-F322 PolarHBondContact O-N 3.34Å; F322-D324 VanDerWaalsContact C-N 3.3Å; F322-D324 PolarHBondContact O-N 3.4Å; F322-A325 PolarHBondContact O-N 2.92Å; F322-I326 WeakPolarHBondContact O-CB 3.39Å; F322-I326 WeakPolarHBondContact O-CD1 3.46Å; F322-I326 WeakPolarHBondContact O-CG1 3.38Å; F322-I326 PolarHBondContact O-N 3.01Å; F322-M353 HydrophobicContact CB-CE 4.09Å; F322-M353 HydrophobicContact CD2-CE 3.2Å; F322-M353 HydrophobicContact CE2-CE 3.81Å; F322-M353 HydrophobicContact CG-CE 3.96Å |
| 323 | A | 98.7 | Very high | 98.5 | Very high | 34 Ų | 34 | 38.9 Ų | 38.9 | 28% | 0.281 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -59.9 | -39.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | R319 K320 I326 G327 A356 | R319-A323 VanDerWaalsContact O-CB 3.23Å; R319-A323 WeakPolarHBondContact O-CB 3.43Å; R319-A323 PolarHBondContact O-N 3.33Å; K320-A323 PolarHBondContact O-N 3.49Å; A323-I326 PolarHBondContact O-N 2.97Å; A323-G327 PolarHBondContact O-N 3.22Å; A323-A356 HydrophobicContact CB-CB 4Å |
| 324 | D | 98.6 | Very high | 98.4 | Very high | 96 Ų | 96 | 38.7 Ų | 38.7 | 51% | 0.513 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -64.1 | -43.5 | 176.4 | -71.9 | -16.4 | 0 | 0 | 0 | 112.1 | K320 L321 F322 I326 G327 R328 | K320-D324 PolarHBondContact O-N 3.37Å; L321-D324 PolarHBondContact O-N 3Å; F322-D324 VanDerWaalsContact C-N 3.3Å; F322-D324 PolarHBondContact O-N 3.4Å; D324-I326 VanDerWaalsContact C-N 3.34Å; D324-G327 PolarHBondContact O-N 3.36Å; D324-R328 VanDerWaalsContact C-NH1 3.32Å; D324-R328 PolarHBondContact O-N 3.31Å; D324-R328 PolarHBondContact O-NH1 2.93Å |
| 325 | A | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.7 | -40.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | I233 L321 F322 R328 | I233-A325 HydrophobicContact CD1-CB 4.11Å; I233-A325 HydrophobicContact CG1-CB 4.49Å; L321-A325 PolarHBondContact O-N 2.97Å; L321-A325 VanDerWaalsContact O-N 3.16Å; F322-A325 PolarHBondContact O-N 2.92Å; A325-R328 VanDerWaalsContact CA-NH2 3.34Å; A325-R328 PolarHBondContact O-N 2.86Å |
| 326 | I | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.7 | -43.8 | 175.4 | -71.1 | 162 | 0 | 0 | 0 | 111.2 | L207 I209 I233 F322 A323 D324 R328 A329 I332 M353 A356 V357 A360 | L207-I326 HydrophobicContact CD2-CB 4.38Å; L207-I326 HydrophobicContact CD2-CG1 3.76Å; I209-I326 HydrophobicContact CD1-CD1 3.93Å; I209-I326 HydrophobicContact CD1-CG1 3.87Å; I233-I326 HydrophobicContact CD1-CD1 4.31Å; I233-I326 HydrophobicContact CD1-CG1 4.09Å; F322-I326 WeakPolarHBondContact O-CB 3.39Å; F322-I326 WeakPolarHBondContact O-CD1 3.46Å; F322-I326 WeakPolarHBondContact O-CG1 3.38Å; F322-I326 PolarHBondContact O-N 3.01Å; A323-I326 PolarHBondContact O-N 2.97Å; D324-I326 VanDerWaalsContact C-N 3.34Å; I326-R328 VanDerWaalsContact C-N 3.26Å; I326-R328 PolarHBondContact O-N 2.82Å; I326-A329 WeakPolarHBondContact O-CB 3.44Å; I326-A329 PolarHBondContact O-N 3.45Å; I326-A329 VanDerWaalsContact O-N 3.16Å; I326-I332 HydrophobicContact CG2-CD1 3.83Å; I326-M353 HydrophobicContact CD1-CG 3.65Å; I326-A356 HydrophobicContact CB-CB 4.2Å; I326-A356 HydrophobicContact CD1-CB 4.06Å; I326-A356 VanDerWaalsContact CG2-C 3.45Å; I326-A356 HydrophobicContact CG2-CB 3.78Å; I326-A356 WeakPolarHBondContact CG2-O 3.4Å; I326-V357 HydrophobicContact CD1-CG2 4.18Å; I326-V357 HydrophobicContact CG1-CG2 4.44Å; I326-V357 HydrophobicContact CG2-CG2 3.95Å; I326-A360 HydrophobicContact CG2-CB 4.05Å |
| 327 | G | 98.5 | Very high | 97.9 | Very high | 58 Ų | 58 | 36.7 Ų | 36.7 | 60% | 0.598 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -64.8 | -24.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | A323 D324 | A323-G327 PolarHBondContact O-N 3.22Å; D324-G327 PolarHBondContact O-N 3.36Å |
| 328 | R | 98.1 | Very high | 97.8 | Very high | 100 Ų | 100 | 32.7 Ų | 32.7 | 38% | 0.377 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -80.5 | -22.9 | 175.1 | -70.7 | -170.6 | -59.9 | -80.8 | 1.9 | 113.7 | P205 E231 D324 A325 I326 | P205-R328 WeakPolarHBondContact CD-O 3.45Å; E231-R328 IonicContact OE1-CZ 3.82Å; E231-R328 IonicContact OE1-NE 3.64Å; E231-R328 PolarHBondContact OE1-NE 2.85Å; E231-R328 IonicContact OE1-NH2 3.17Å; E231-R328 PolarHBondContact OE1-NH2 3.13Å; E231-R328 IonicContact OE2-CZ 2.68Å; E231-R328 IonicContact OE2-NE 3.72Å; E231-R328 IonicContact OE2-NH2 3.88Å; E231-R328 PolarHBondContact OE2-NH2 3.34Å; D324-R328 VanDerWaalsContact C-NH1 3.32Å; D324-R328 PolarHBondContact O-N 3.31Å; D324-R328 PolarHBondContact O-NH1 2.93Å; A325-R328 VanDerWaalsContact CA-NH2 3.34Å; A325-R328 PolarHBondContact O-N 2.86Å; I326-R328 VanDerWaalsContact C-N 3.26Å; I326-R328 PolarHBondContact O-N 2.82Å |
| 329 | A | 98.5 | Very high | 97.7 | Very high | 5 Ų | 5 | 33.1 Ų | 33.1 | 4% | 0.041 | 18% | 0.179 | C | C | . | . | trans | -69.9 | 148 | -171.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | P205 L207 I326 I332 | P205-A329 WeakPolarHBondContact O-CA 3.38Å; L207-A329 HydrophobicContact CB-CB 3.75Å; L207-A329 HydrophobicContact CD2-CB 4.22Å; I326-A329 WeakPolarHBondContact O-CB 3.44Å; I326-A329 PolarHBondContact O-N 3.45Å; I326-A329 VanDerWaalsContact O-N 3.16Å; A329-I332 HydrophobicContact CB-CD1 3.96Å; A329-I332 HydrophobicContact CB-CG1 3.54Å | ||
| 330 | K | 98.3 | Very high | 97.6 | Very high | 98 Ų | 98 | 31.4 Ų | 31.4 | 43% | 0.426 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -107.7 | -24.1 | 169.2 | -61.4 | -57.3 | -176.7 | -175.1 | 0 | 112.4 | E203 R204 P205 C365 T366 | E203-K330 HydrophobicContact CB-CB 3.78Å; R204-K330 WeakPolarHBondContact O-CG 3.49Å; P205-K330 PolarHBondContact O-N 3.34Å; K330-C365 WeakPolarHBondContact O-CA 3.29Å; K330-C365 PolarHBondContact O-SG 3.01Å; K330-C365 VanDerWaalsContact O-SG 3.37Å; K330-T366 PolarHBondContact O-N 3.06Å |
| 331 | T | 98.3 | Very high | 97.5 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.006 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 134.9 | 167.7 | -53.9 | 0 | 0 | 0 | 0 | 108.8 | A198 P202 E203 P205 F206 L207 T366 | A198-T331 HydrophobicContact CB-CG2 3.9Å; P202-T331 HydrophobicContact CB-CG2 4.2Å; E203-T331 PolarHBondContact N-OG1 3.21Å; E203-T331 VanDerWaalsContact N-OG1 3.08Å; E203-T331 VanDerWaalsContact O-CB 3.32Å; E203-T331 WeakPolarHBondContact O-CB 3.37Å; E203-T331 PolarHBondContact O-N 3.36Å; E203-T331 PolarHBondContact O-OG1 3.48Å; P205-T331 PolarHBondContact O-N 3.37Å; F206-T331 WeakPolarHBondContact CA-O 3.38Å; F206-T331 HydrophobicContact CD2-CG2 3.69Å; F206-T331 WeakPolarHBondContact CD2-O 3.39Å; F206-T331 HydrophobicContact CE2-CG2 3.83Å; F206-T331 HydrophobicContact CG-CG2 4.45Å; L207-T331 PolarHBondContact N-O 3.45Å; T331-T366 CarbonylContact C-O 3.56Å; T331-T366 WeakPolarHBondContact CA-O 3.49Å |
| 332 | I | 98.3 | Very high | 97.4 | Very high | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 130.6 | 173.7 | -59.6 | 173.2 | 0 | 0 | 0 | 109.1 | L207 I209 I326 A329 W334 V357 A360 T366 T367 I368 | L207-I332 HydrophobicContact CB-CG1 4.26Å; L207-I332 HydrophobicContact CD2-CD1 4.42Å; L207-I332 HydrophobicContact CD2-CG1 4.26Å; L207-I332 WeakPolarHBondContact O-CA 3.43Å; I209-I332 HydrophobicContact CD1-CG2 3.78Å; I209-I332 HydrophobicContact CG1-CG2 4.08Å; I326-I332 HydrophobicContact CG2-CD1 3.83Å; A329-I332 HydrophobicContact CB-CD1 3.96Å; A329-I332 HydrophobicContact CB-CG1 3.54Å; I332-W334 HydrophobicContact CG2-CB 4.46Å; I332-V357 HydrophobicContact CD1-CG2 4.36Å; I332-A360 HydrophobicContact CD1-CB 4.31Å; I332-T366 PolarHBondContact N-O 2.92Å; I332-T367 HydrophobicContact CB-CG2 4.16Å; I332-T367 HydrophobicContact CD1-CG2 4.09Å; I332-T367 HydrophobicContact CG1-CG2 4.42Å; I332-I368 PolarHBondContact O-N 3.03Å |
| 333 | V | 97.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 122.1 | 160.6 | 168.4 | 0 | 0 | 0 | 0 | 108 | A198 F206 L207 A208 I209 I368 L401 | A198-V333 HydrophobicContact CB-CG2 4.01Å; F206-V333 HydrophobicContact CE2-CB 4.11Å; F206-V333 HydrophobicContact CE2-CG2 3.74Å; F206-V333 HydrophobicContact CZ-CB 4.37Å; F206-V333 HydrophobicContact CZ-CG2 3.84Å; L207-V333 PolarHBondContact O-N 3.39Å; A208-V333 CarbonylContact C-O 3.53Å; A208-V333 WeakPolarHBondContact CA-O 3.35Å; I209-V333 PolarHBondContact N-O 2.88Å; V333-I368 WeakPolarHBondContact CA-O 3.31Å; V333-I368 HydrophobicContact CG2-CB 4.26Å; V333-I368 HydrophobicContact CG2-CD1 4.43Å; V333-L401 HydrophobicContact CB-CD2 4.5Å; V333-L401 HydrophobicContact CG1-CD1 3.51Å; V333-L401 HydrophobicContact CG1-CD2 3.62Å; V333-L401 HydrophobicContact CG1-CG 4.22Å; V333-L401 HydrophobicContact CG2-CD2 4.19Å |
| 334 | W | 97 | Very high | 97.2 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 120 | 178.6 | -175.1 | 8.5 | 0 | 0 | 0 | 111.4 | I209 I332 G336 T350 M353 M354 V357 I368 I369 G370 T374 | I209-W334 HydrophobicContact CB-CB 4.11Å; I209-W334 HydrophobicContact CB-CG 3.89Å; I209-W334 HydrophobicContact CD1-CB 4.35Å; I209-W334 HydrophobicContact CD1-CD2 4.46Å; I209-W334 HydrophobicContact CD1-CG 4.24Å; I209-W334 HydrophobicContact CG2-CG 4.03Å; I209-W334 WeakPolarHBondContact O-CA 3.45Å; I332-W334 HydrophobicContact CG2-CB 4.46Å; W334-G336 PolarHBondContact NE1-O 2.85Å; W334-T350 HydrophobicContact CZ2-CG2 4.4Å; W334-M353 HydrophobicContact CH2-CB 4.13Å; W334-M353 HydrophobicContact CH2-CG 3.89Å; W334-M353 HydrophobicContact CH2-SD 4.28Å; W334-M353 HydrophobicContact CZ2-CB 4.28Å; W334-M353 HydrophobicContact CZ2-CG 3.85Å; W334-M353 HydrophobicContact CZ2-SD 3.6Å; W334-M353 HydrophobicContact CZ3-CG 4.41Å; W334-M354 HydrophobicContact CE3-CE 4.16Å; W334-M354 HydrophobicContact CH2-CB 3.94Å; W334-M354 HydrophobicContact CH2-CE 3.61Å; W334-M354 HydrophobicContact CH2-SD 4.35Å; W334-M354 HydrophobicContact CZ3-CB 4.07Å; W334-M354 HydrophobicContact CZ3-CE 3.27Å; W334-M354 HydrophobicContact CZ3-SD 3.67Å; W334-V357 HydrophobicContact CE3-CB 4.42Å; W334-V357 HydrophobicContact CE3-CG1 4.44Å; W334-V357 HydrophobicContact CE3-CG2 3.9Å; W334-V357 HydrophobicContact CZ3-CB 4.34Å; W334-V357 HydrophobicContact CZ3-CG2 4.06Å; W334-I368 PolarHBondContact N-O 3.22Å; W334-I369 HydrophobicContact CB-CD1 4.08Å; W334-I369 HydrophobicContact CD2-CD1 4.33Å; W334-I369 HydrophobicContact CE3-CD1 3.62Å; W334-I369 HydrophobicContact CZ3-CD1 4.43Å; W334-G370 PolarHBondContact O-N 2.79Å; W334-T374 HydrophobicContact CB-CG2 4.39Å; W334-T374 HydrophobicContact CD2-CG2 3.48Å; W334-T374 VanDerWaalsContact CD2-CG2 3.48Å; W334-T374 HydrophobicContact CE3-CG2 3.94Å; W334-T374 HydrophobicContact CG-CG2 3.68Å; W334-T374 HydrophobicContact CZ2-CG2 4.2Å; W334-T374 HydrophobicContact CZ3-CG2 4.47Å |
| 335 | N | 95.2 | Very high | 97.1 | Very high | 4 Ų | 4 | 32.3 Ų | 32.3 | 2% | 0.021 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 93 | 176.9 | -168.9 | -107.5 | 0 | 0 | 0 | 111.7 | I209 L210 G211 K218 G370 G371 | I209-N335 PolarHBondContact O-N 3.29Å; L210-N335 WeakPolarHBondContact CA-O 3.43Å; L210-N335 HydrophobicContact CD2-CB 4.26Å; G211-N335 PolarHBondContact N-O 3.18Å; K218-N335 PolarHBondContact NZ-OD1 2.98Å; N335-G370 WeakPolarHBondContact CA-O 3.36Å; N335-G370 PolarHBondContact ND2-O 3.26Å; N335-G371 VanDerWaalsContact ND2-CA 3.27Å; N335-G371 WeakPolarHBondContact ND2-CA 3.33Å; N335-G371 PolarHBondContact ND2-N 3.36Å |
| 336 | G | 94.3 | Very high | 97.1 | Very high | 8 Ų | 8 | 32.3 Ų | 32.3 | 8% | 0.082 | 17% | 0.174 | C | C | . | . | S | Bend | trans | 112.6 | 126.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | G211 W334 T374 | G211-G336 PolarHBondContact N-O 2.86Å; W334-G336 PolarHBondContact NE1-O 2.85Å; G336-T374 WeakPolarHBondContact CA-OG1 3.29Å; G336-T374 PolarHBondContact N-OG1 2.95Å |
| 337 | P | 96 | Very high | 97 | Very high | 16 Ų | 16 | 32.7 Ų | 32.7 | 10% | 0.104 | 18% | 0.178 | C | C | . | . | trans | -70.5 | 153.7 | 175.5 | 30.1 | -34.2 | 0 | 0 | 0 | 112.1 | F341 T350 D373 | P337-F341 HydrophobicContact CB-CD1 3.96Å; P337-F341 HydrophobicContact CG-CD1 3.61Å; P337-F341 HydrophobicContact CG-CE1 3.84Å; P337-T350 HydrophobicContact CB-CG2 3.5Å; P337-D373 HydrophobicContact CG-CB 4.4Å | ||
| 338 | P | 96.8 | Very high | 97 | Very high | 7 Ų | 7 | 32.7 Ų | 32.7 | 5% | 0.045 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -78.5 | -17.3 | 177.4 | 32.5 | -38 | 0 | 0 | 0 | 114.4 | G236 V314 T350 M353 | G236-P338 WeakPolarHBondContact CA-O 3.25Å; G236-P338 PolarHBondContact N-O 3.13Å; V314-P338 HydrophobicContact CG1-CB 3.95Å; V314-P338 HydrophobicContact CG2-CB 4.14Å; V314-P338 HydrophobicContact CG2-CG 4.23Å; P338-T350 WeakPolarHBondContact CD-OG1 3.44Å; P338-M353 HydrophobicContact CB-CE 4.17Å; P338-M353 HydrophobicContact CG-CE 3.86Å; P338-M353 HydrophobicContact CG-SD 3.99Å |
| 339 | G | 96.4 | Very high | 97 | Very high | 9 Ų | 9 | 28 Ų | 28 | 9% | 0.093 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -137.2 | 170.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | L312 F341 T350 | L312-G339 CarbonylContact O-C 3.57Å; L312-G339 WeakPolarHBondContact O-CA 3.27Å; G339-F341 PolarHBondContact O-N 3.03Å; G339-T350 PolarHBondContact N-OG1 3.44Å; G339-T350 PolarHBondContact O-OG1 2.83Å |
| 340 | V | 96.9 | Very high | 97 | Very high | 25 Ų | 25 | 27.7 Ų | 27.7 | 15% | 0.152 | 15% | 0.149 | C | C | . | . | trans | -74.8 | 72.2 | 175.8 | -171.4 | 0 | 0 | 0 | 0 | 109.4 | F290 L312 E342 W343 F346 | F290-V340 HydrophobicContact CE2-CG2 3.91Å; F290-V340 HydrophobicContact CZ-CG1 4.41Å; F290-V340 HydrophobicContact CZ-CG2 4.39Å; L312-V340 HydrophobicContact CB-CG2 4.29Å; L312-V340 HydrophobicContact CD2-CG2 4.02Å; L312-V340 PolarHBondContact O-N 3.41Å; V340-E342 PolarHBondContact O-N 3Å; V340-E342 VanDerWaalsContact O-N 3.12Å; V340-W343 HydrophobicContact CB-CE3 4.17Å; V340-W343 HydrophobicContact CG1-CD2 3.78Å; V340-W343 HydrophobicContact CG1-CE3 3.5Å; V340-W343 HydrophobicContact CG1-CG 4.42Å; V340-W343 HydrophobicContact CG1-CH2 4.3Å; V340-W343 HydrophobicContact CG1-CZ3 3.79Å; V340-W343 PolarHBondContact O-N 3.11Å; V340-F346 CarbonylContact C-O 2.96Å; V340-F346 HydrophobicContact CB-CB 4.22Å | ||
| 341 | F | 96.2 | Very high | 97 | Very high | 6 Ų | 6 | 26.2 Ų | 26.2 | 3% | 0.026 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -13.7 | -168 | 73.9 | -82 | 0 | 0 | 0 | 114.4 | P337 G339 W343 A347 T350 D373 T376 C377 K380 | P337-F341 HydrophobicContact CB-CD1 3.96Å; P337-F341 HydrophobicContact CG-CD1 3.61Å; P337-F341 HydrophobicContact CG-CE1 3.84Å; G339-F341 PolarHBondContact O-N 3.03Å; F341-W343 PolarHBondContact O-N 3.01Å; F341-A347 HydrophobicContact CB-CB 4.44Å; F341-A347 WeakPolarHBondContact O-CB 3.38Å; F341-T350 HydrophobicContact CB-CG2 3.79Å; F341-T350 HydrophobicContact CG-CG2 4.27Å; F341-D373 HydrophobicContact CE1-CB 4.41Å; F341-T376 HydrophobicContact CE2-CG2 4.15Å; F341-T376 HydrophobicContact CZ-CG2 4.09Å; F341-C377 WeakPolarHBondContact CD1-SG 3.46Å; F341-C377 HydrophobicContact CD2-CB 4.4Å; F341-C377 WeakPolarHBondContact CD2-SG 3.48Å; F341-C377 WeakPolarHBondContact CE1-SG 3.4Å; F341-C377 HydrophobicContact CE2-CB 4.38Å; F341-C377 VanDerWaalsContact CE2-SG 3.51Å; F341-C377 WeakPolarHBondContact CG-SG 3.28Å; F341-C377 VanDerWaalsContact CZ-SG 3.52Å; F341-K380 HydrophobicContact CD2-CD 4.03Å; F341-K380 HydrophobicContact CE2-CD 4.39Å; F341-K380 PolarHBondContact O-NZ 3.21Å |
| 342 | E | 95.2 | Very high | 97 | Very high | 95 Ų | 95 | 27.8 Ų | 27.8 | 44% | 0.444 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -33.7 | 174.4 | -64.5 | 84.9 | 170.6 | 0 | 0 | 110.9 | V340 K380 | V340-E342 PolarHBondContact O-N 3Å; V340-E342 VanDerWaalsContact O-N 3.12Å; E342-K380 PolarHBondContact O-NZ 3.49Å |
| 343 | W | 97.2 | Very high | 97 | Very high | 47 Ų | 47 | 28 Ų | 28 | 18% | 0.178 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -104.4 | 130 | -176.4 | -55.8 | -27.9 | 0 | 0 | 0 | 111.6 | F290 E292 V340 F341 N345 F346 A347 | F290-W343 VanDerWaalsContact C-CH2 3.49Å; F290-W343 AromaticContact CD1-CH2 3.56Å; F290-W343 HydrophobicContact CD1-CH2 3.56Å; F290-W343 HydrophobicContact CD1-CZ2 4.49Å; F290-W343 HydrophobicContact CD1-CZ3 4.3Å; F290-W343 HydrophobicContact CD2-CH2 4.32Å; F290-W343 HydrophobicContact CD2-CZ3 4.28Å; F290-W343 AromaticContact CE1-CH2 3.52Å; F290-W343 HydrophobicContact CE1-CH2 3.52Å; F290-W343 HydrophobicContact CE1-CZ2 4.22Å; F290-W343 HydrophobicContact CE1-CZ3 4.3Å; F290-W343 HydrophobicContact CE2-CH2 4.3Å; F290-W343 HydrophobicContact CE2-CZ3 4.29Å; F290-W343 AromaticContact CG-CH2 3.96Å; F290-W343 HydrophobicContact CG-CH2 3.96Å; F290-W343 HydrophobicContact CG-CZ3 4.27Å; F290-W343 AromaticContact CZ-CH2 3.91Å; F290-W343 HydrophobicContact CZ-CH2 3.91Å; F290-W343 HydrophobicContact CZ-CZ3 4.29Å; E292-W343 HydrophobicContact CB-CB 4.33Å; E292-W343 HydrophobicContact CB-CD2 4.02Å; E292-W343 HydrophobicContact CB-CG 3.73Å; E292-W343 HydrophobicContact CG-CB 4.01Å; E292-W343 HydrophobicContact CG-CG 3.85Å; V340-W343 HydrophobicContact CB-CE3 4.17Å; V340-W343 HydrophobicContact CG1-CD2 3.78Å; V340-W343 HydrophobicContact CG1-CE3 3.5Å; V340-W343 HydrophobicContact CG1-CG 4.42Å; V340-W343 HydrophobicContact CG1-CH2 4.3Å; V340-W343 HydrophobicContact CG1-CZ3 3.79Å; V340-W343 PolarHBondContact O-N 3.11Å; F341-W343 PolarHBondContact O-N 3.01Å; W343-N345 VanDerWaalsContact C-N 3.25Å; W343-N345 PolarHBondContact O-N 2.78Å; W343-F346 HydrophobicContact CB-CD2 4.05Å; W343-F346 AromaticContact CE3-CD2 3.76Å; W343-F346 HydrophobicContact CE3-CD2 3.76Å; W343-F346 HydrophobicContact CE3-CE2 4.14Å; W343-F346 CarbonylContact O-C 3.47Å; W343-F346 PolarHBondContact O-N 2.85Å; W343-A347 WeakPolarHBondContact O-CB 3.34Å; W343-A347 PolarHBondContact O-N 2.85Å |
| 344 | D | 96 | Very high | 97.1 | Very high | 118 Ų | 118 | 28 Ų | 28 | 63% | 0.631 | 16% | 0.156 | S | C | * | . | G | 310 helix | trans | -59.7 | -35.7 | -172.1 | -70.1 | -13.6 | 0 | 0 | 0 | 113.2 | F346 A347 K380 | D344-F346 PolarHBondContact O-N 2.91Å; D344-F346 VanDerWaalsContact O-N 3.15Å; D344-A347 PolarHBondContact O-N 2.85Å; D344-K380 IonicContact OD1-NZ 3.52Å |
| 345 | N | 97.1 | Very high | 97.1 | Very high | 81 Ų | 81 | 31.4 Ų | 31.4 | 43% | 0.433 | 17% | 0.174 | S | C | . | . | G | 310 helix | trans | -59.8 | -22.9 | 175.4 | -72.9 | -26.9 | 0 | 0 | 0 | 113.8 | E292 V296 W343 | E292-N345 PolarHBondContact O-ND2 3.18Å; E292-N345 VanDerWaalsContact O-ND2 3.09Å; V296-N345 HydrophobicContact CG2-CB 3.8Å; W343-N345 VanDerWaalsContact C-N 3.25Å; W343-N345 PolarHBondContact O-N 2.78Å |
| 346 | F | 97.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.18 | C | C | . | . | G | 310 helix | trans | -128.1 | 17.8 | -173.1 | -51.1 | -67.1 | 0 | 0 | 0 | 112.7 | V285 A294 V296 L312 D313 V340 W343 D344 | V285-F346 HydrophobicContact CG1-CD1 3.99Å; V285-F346 HydrophobicContact CG1-CE1 4.14Å; A294-F346 HydrophobicContact CB-CE2 4.22Å; A294-F346 HydrophobicContact CB-CZ 3.98Å; V296-F346 HydrophobicContact CG2-CE1 4.22Å; V296-F346 HydrophobicContact CG2-CZ 4.11Å; L312-F346 HydrophobicContact CB-CB 4.19Å; L312-F346 HydrophobicContact CB-CD1 3.44Å; L312-F346 VanDerWaalsContact CB-CD1 3.44Å; L312-F346 HydrophobicContact CB-CD2 4.34Å; L312-F346 HydrophobicContact CB-CE1 3.84Å; L312-F346 HydrophobicContact CB-CG 3.72Å; L312-F346 HydrophobicContact CB-CZ 4.43Å; L312-F346 HydrophobicContact CD1-CD1 4.1Å; L312-F346 HydrophobicContact CD1-CD2 4.09Å; L312-F346 HydrophobicContact CD1-CE1 3.74Å; L312-F346 HydrophobicContact CD1-CE2 3.7Å; L312-F346 HydrophobicContact CD1-CG 4.26Å; L312-F346 HydrophobicContact CD1-CZ 3.52Å; L312-F346 HydrophobicContact CG-CD1 4.39Å; L312-F346 HydrophobicContact CG-CE1 4.36Å; D313-F346 HydrophobicContact CB-CB 4.06Å; D313-F346 WeakPolarHBondContact CB-O 3.43Å; D313-F346 VanDerWaalsContact CG-O 3.23Å; V340-F346 CarbonylContact C-O 2.96Å; V340-F346 HydrophobicContact CB-CB 4.22Å; W343-F346 HydrophobicContact CB-CD2 4.05Å; W343-F346 AromaticContact CE3-CD2 3.76Å; W343-F346 HydrophobicContact CE3-CD2 3.76Å; W343-F346 HydrophobicContact CE3-CE2 4.14Å; W343-F346 CarbonylContact O-C 3.47Å; W343-F346 PolarHBondContact O-N 2.85Å; D344-F346 PolarHBondContact O-N 2.91Å; D344-F346 VanDerWaalsContact O-N 3.15Å |
| 347 | A | 97.6 | Very high | 97.5 | Very high | 8 Ų | 8 | 31.6 Ų | 31.6 | 7% | 0.066 | 18% | 0.176 | C | C | . | . | trans | -98.5 | -13.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | F341 W343 D344 G349 T350 K351 | F341-A347 HydrophobicContact CB-CB 4.44Å; F341-A347 WeakPolarHBondContact O-CB 3.38Å; W343-A347 WeakPolarHBondContact O-CB 3.34Å; W343-A347 PolarHBondContact O-N 2.85Å; D344-A347 PolarHBondContact O-N 2.85Å; A347-G349 PolarHBondContact O-N 2.82Å; A347-T350 PolarHBondContact O-N 3.25Å; A347-K351 VanDerWaalsContact O-CB 3.26Å; A347-K351 WeakPolarHBondContact O-CB 3.44Å; A347-K351 PolarHBondContact O-N 3.17Å | ||
| 348 | S | 98.2 | Very high | 97.6 | Very high | 57 Ų | 57 | 32.3 Ų | 32.3 | 40% | 0.399 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -66.9 | -35.8 | -168.8 | -69.9 | 0 | 0 | 0 | 0 | 113.3 | D313 R319 A352 | D313-S348 PolarHBondContact OD2-N 2.78Å; R319-S348 VanDerWaalsContact CZ-CB 3.47Å; R319-S348 VanDerWaalsContact NH1-CB 3.31Å; S348-A352 VanDerWaalsContact O-CB 3.3Å; S348-A352 WeakPolarHBondContact O-CB 3.25Å; S348-A352 PolarHBondContact O-N 2.88Å |
| 349 | G | 98.4 | Very high | 97.7 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.01 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -69.6 | -46.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | D313 A347 K351 A352 M353 | D313-G349 VanDerWaalsContact OD1-CA 3.23Å; D313-G349 WeakPolarHBondContact OD1-CA 3.33Å; D313-G349 PolarHBondContact OD1-N 2.82Å; D313-G349 PolarHBondContact OD2-N 2.95Å; A347-G349 PolarHBondContact O-N 2.82Å; G349-K351 VanDerWaalsContact C-N 3.32Å; G349-K351 PolarHBondContact O-N 2.81Å; G349-A352 PolarHBondContact O-N 3.44Å; G349-M353 WeakPolarHBondContact O-CB 3.49Å; G349-M353 PolarHBondContact O-N 3.2Å |
| 350 | T | 98 | Very high | 97.8 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.6 | -42 | 173 | -56.4 | 0 | 0 | 0 | 0 | 111.7 | W334 P337 P338 G339 F341 A347 M353 M354 C377 F381 | W334-T350 HydrophobicContact CZ2-CG2 4.4Å; P337-T350 HydrophobicContact CB-CG2 3.5Å; P338-T350 WeakPolarHBondContact CD-OG1 3.44Å; G339-T350 PolarHBondContact N-OG1 3.44Å; G339-T350 PolarHBondContact O-OG1 2.83Å; F341-T350 HydrophobicContact CB-CG2 3.79Å; F341-T350 HydrophobicContact CG-CG2 4.27Å; A347-T350 PolarHBondContact O-N 3.25Å; T350-M353 PolarHBondContact O-N 3.37Å; T350-M354 PolarHBondContact O-N 3.08Å; T350-C377 HydrophobicContact CG2-CB 4.31Å; T350-F381 HydrophobicContact CG2-CE2 4.09Å |
| 351 | K | 98.4 | Very high | 97.9 | Very high | 67 Ų | 67 | 35 Ų | 35 | 29% | 0.291 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -63.1 | -48 | 176.7 | 177.8 | 55.9 | 175.3 | 158.8 | 0 | 112 | A347 G349 M353 M354 D355 F381 | A347-K351 VanDerWaalsContact O-CB 3.26Å; A347-K351 WeakPolarHBondContact O-CB 3.44Å; A347-K351 PolarHBondContact O-N 3.17Å; G349-K351 VanDerWaalsContact C-N 3.32Å; G349-K351 PolarHBondContact O-N 2.81Å; K351-M353 VanDerWaalsContact C-N 3.3Å; K351-M353 PolarHBondContact O-N 3.5Å; K351-M354 WeakPolarHBondContact O-CB 3.35Å; K351-M354 PolarHBondContact O-N 3.11Å; K351-M354 VanDerWaalsContact O-N 3.14Å; K351-D355 WeakPolarHBondContact CE-OD1 3.36Å; K351-D355 WeakPolarHBondContact CE-OD2 3.32Å; K351-D355 IonicContact NZ-OD1 3.93Å; K351-D355 PolarHBondContact NZ-OD1 3.22Å; K351-D355 IonicContact NZ-OD2 3.89Å; K351-D355 PolarHBondContact NZ-OD2 3.29Å; K351-D355 PolarHBondContact O-N 3.33Å; K351-F381 HydrophobicContact CB-CE1 4.35Å; K351-F381 HydrophobicContact CB-CE2 4.21Å; K351-F381 HydrophobicContact CB-CZ 3.98Å; K351-F381 HydrophobicContact CD-CB 4.37Å; K351-F381 HydrophobicContact CD-CD1 3.86Å; K351-F381 HydrophobicContact CD-CD2 4.06Å; K351-F381 HydrophobicContact CD-CE1 4.11Å; K351-F381 HydrophobicContact CD-CE2 4.31Å; K351-F381 HydrophobicContact CD-CG 3.84Å; K351-F381 HydrophobicContact CD-CZ 4.33Å |
| 352 | A | 98.6 | Very high | 98 | Very high | 34 Ų | 34 | 38 Ų | 38 | 28% | 0.281 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -60.2 | -40.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | R319 S348 G349 D355 A356 | R319-A352 HydrophobicContact CB-CB 4.2Å; R319-A352 HydrophobicContact CG-CB 4.03Å; S348-A352 VanDerWaalsContact O-CB 3.3Å; S348-A352 WeakPolarHBondContact O-CB 3.25Å; S348-A352 PolarHBondContact O-N 2.88Å; G349-A352 PolarHBondContact O-N 3.44Å; A352-D355 PolarHBondContact O-N 3.18Å; A352-A356 WeakPolarHBondContact O-CB 3.23Å; A352-A356 PolarHBondContact O-N 3.01Å |
| 353 | M | 98.5 | Very high | 98.1 | Very high | 5 Ų | 5 | 40.7 Ų | 40.7 | 3% | 0.025 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.2 | -42.9 | 174.3 | -173.5 | 174.7 | -76.2 | 0 | 0 | 111.9 | I209 I233 F322 I326 W334 P338 G349 T350 K351 A356 V357 | I209-M353 HydrophobicContact CD1-CG 4.44Å; I209-M353 HydrophobicContact CD1-SD 4.35Å; I209-M353 HydrophobicContact CG2-CE 4.06Å; I209-M353 HydrophobicContact CG2-SD 3.43Å; I209-M353 WeakPolarHBondContact CG2-SD 3.05Å; I233-M353 HydrophobicContact CG2-CE 4Å; F322-M353 HydrophobicContact CB-CE 4.09Å; F322-M353 HydrophobicContact CD2-CE 3.2Å; F322-M353 HydrophobicContact CE2-CE 3.81Å; F322-M353 HydrophobicContact CG-CE 3.96Å; I326-M353 HydrophobicContact CD1-CG 3.65Å; W334-M353 HydrophobicContact CH2-CB 4.13Å; W334-M353 HydrophobicContact CH2-CG 3.89Å; W334-M353 HydrophobicContact CH2-SD 4.28Å; W334-M353 HydrophobicContact CZ2-CB 4.28Å; W334-M353 HydrophobicContact CZ2-CG 3.85Å; W334-M353 HydrophobicContact CZ2-SD 3.6Å; W334-M353 HydrophobicContact CZ3-CG 4.41Å; P338-M353 HydrophobicContact CB-CE 4.17Å; P338-M353 HydrophobicContact CG-CE 3.86Å; P338-M353 HydrophobicContact CG-SD 3.99Å; G349-M353 WeakPolarHBondContact O-CB 3.49Å; G349-M353 PolarHBondContact O-N 3.2Å; T350-M353 PolarHBondContact O-N 3.37Å; K351-M353 VanDerWaalsContact C-N 3.3Å; K351-M353 PolarHBondContact O-N 3.5Å; M353-A356 PolarHBondContact O-N 2.92Å; M353-V357 WeakPolarHBondContact O-CG2 3.4Å; M353-V357 PolarHBondContact O-N 3.05Å |
| 354 | M | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.1 | -46.3 | 175.1 | -175.7 | 60.7 | 68.8 | 0 | 0 | 112.2 | W334 T350 K351 A356 V357 V358 C377 C378 F381 T383 | W334-M354 HydrophobicContact CE3-CE 4.16Å; W334-M354 HydrophobicContact CH2-CB 3.94Å; W334-M354 HydrophobicContact CH2-CE 3.61Å; W334-M354 HydrophobicContact CH2-SD 4.35Å; W334-M354 HydrophobicContact CZ3-CB 4.07Å; W334-M354 HydrophobicContact CZ3-CE 3.27Å; W334-M354 HydrophobicContact CZ3-SD 3.67Å; T350-M354 PolarHBondContact O-N 3.08Å; K351-M354 WeakPolarHBondContact O-CB 3.35Å; K351-M354 PolarHBondContact O-N 3.11Å; K351-M354 VanDerWaalsContact O-N 3.14Å; M354-A356 VanDerWaalsContact C-N 3.29Å; M354-A356 PolarHBondContact O-N 3.48Å; M354-V357 PolarHBondContact O-N 3.15Å; M354-V357 VanDerWaalsContact O-N 3.16Å; M354-V358 WeakPolarHBondContact O-CG2 3.39Å; M354-V358 PolarHBondContact O-N 3.01Å; M354-V358 HydrophobicContact SD-CG2 4.47Å; M354-C377 HydrophobicContact CE-CB 4.11Å; M354-C378 HydrophobicContact CE-CB 4.28Å; M354-C378 WeakPolarHBondContact CE-SG 3.34Å; M354-F381 HydrophobicContact CB-CD2 4.17Å; M354-F381 HydrophobicContact CG-CD2 4.18Å; M354-T383 HydrophobicContact CG-CG2 3.88Å; M354-T383 HydrophobicContact SD-CG2 4.43Å; M354-T383 PolarHBondContact SD-OG1 2.91Å; M354-T383 VanDerWaalsContact SD-OG1 3.42Å |
| 355 | D | 98.6 | Very high | 98.2 | Very high | 71 Ų | 71 | 35.5 Ų | 35.5 | 38% | 0.38 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -64.3 | -36.6 | 179.9 | -66.2 | -23.8 | 0 | 0 | 0 | 111.3 | K351 A352 V358 S359 | K351-D355 WeakPolarHBondContact CE-OD1 3.36Å; K351-D355 WeakPolarHBondContact CE-OD2 3.32Å; K351-D355 IonicContact NZ-OD1 3.93Å; K351-D355 PolarHBondContact NZ-OD1 3.22Å; K351-D355 IonicContact NZ-OD2 3.89Å; K351-D355 PolarHBondContact NZ-OD2 3.29Å; K351-D355 PolarHBondContact O-N 3.33Å; A352-D355 PolarHBondContact O-N 3.18Å; D355-V358 PolarHBondContact O-N 2.78Å; D355-S359 WeakPolarHBondContact O-CB 3.31Å; D355-S359 PolarHBondContact O-N 2.82Å |
| 356 | A | 98.7 | Very high | 98.2 | Very high | 16 Ų | 16 | 32.2 Ų | 32.2 | 13% | 0.132 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.4 | -42.7 | 172 | 0 | 0 | 0 | 0 | 0 | 112.4 | A323 I326 A352 M353 M354 S359 A360 | A323-A356 HydrophobicContact CB-CB 4Å; I326-A356 HydrophobicContact CB-CB 4.2Å; I326-A356 HydrophobicContact CD1-CB 4.06Å; I326-A356 VanDerWaalsContact CG2-C 3.45Å; I326-A356 HydrophobicContact CG2-CB 3.78Å; I326-A356 WeakPolarHBondContact CG2-O 3.4Å; A352-A356 WeakPolarHBondContact O-CB 3.23Å; A352-A356 PolarHBondContact O-N 3.01Å; M353-A356 PolarHBondContact O-N 2.92Å; M354-A356 VanDerWaalsContact C-N 3.29Å; M354-A356 PolarHBondContact O-N 3.48Å; A356-S359 WeakPolarHBondContact O-CB 3.27Å; A356-S359 PolarHBondContact O-N 3.09Å; A356-A360 WeakPolarHBondContact O-CB 3.39Å; A356-A360 PolarHBondContact O-N 2.97Å |
| 357 | V | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65 | -41 | 177 | 169 | 0 | 0 | 0 | 0 | 111.3 | I209 I326 I332 W334 M353 M354 A360 T361 T367 I369 V387 | I209-V357 HydrophobicContact CD1-CG2 4.09Å; I326-V357 HydrophobicContact CD1-CG2 4.18Å; I326-V357 HydrophobicContact CG1-CG2 4.44Å; I326-V357 HydrophobicContact CG2-CG2 3.95Å; I332-V357 HydrophobicContact CD1-CG2 4.36Å; W334-V357 HydrophobicContact CE3-CB 4.42Å; W334-V357 HydrophobicContact CE3-CG1 4.44Å; W334-V357 HydrophobicContact CE3-CG2 3.9Å; W334-V357 HydrophobicContact CZ3-CB 4.34Å; W334-V357 HydrophobicContact CZ3-CG2 4.06Å; M353-V357 WeakPolarHBondContact O-CG2 3.4Å; M353-V357 PolarHBondContact O-N 3.05Å; M354-V357 PolarHBondContact O-N 3.15Å; M354-V357 VanDerWaalsContact O-N 3.16Å; V357-A360 PolarHBondContact O-N 3.22Å; V357-T361 WeakPolarHBondContact O-CB 3.16Å; V357-T361 PolarHBondContact O-N 3.32Å; V357-T361 PolarHBondContact O-OG1 3.43Å; V357-T367 HydrophobicContact CG1-CG2 3.9Å; V357-I369 HydrophobicContact CG1-CD1 4.44Å; V357-V387 HydrophobicContact CG1-CG1 4.11Å |
| 358 | V | 98.7 | Very high | 98.1 | Very high | 32 Ų | 32 | 31.9 Ų | 31.9 | 19% | 0.194 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.4 | -46 | 173.6 | 165.2 | 0 | 0 | 0 | 0 | 110.7 | M354 D355 T361 G362 T383 K386 V387 | M354-V358 WeakPolarHBondContact O-CG2 3.39Å; M354-V358 PolarHBondContact O-N 3.01Å; M354-V358 HydrophobicContact SD-CG2 4.47Å; D355-V358 PolarHBondContact O-N 2.78Å; V358-T361 WeakPolarHBondContact O-CB 3.33Å; V358-T361 PolarHBondContact O-N 2.9Å; V358-G362 PolarHBondContact O-N 3.18Å; V358-T383 HydrophobicContact CG2-CG2 3.77Å; V358-K386 HydrophobicContact CB-CB 4.48Å; V358-K386 HydrophobicContact CG1-CB 3.86Å; V358-K386 HydrophobicContact CG1-CD 4.12Å; V358-K386 HydrophobicContact CG2-CB 3.87Å; V358-V387 HydrophobicContact CG2-CG1 4.31Å |
| 359 | S | 98.7 | Very high | 98 | Very high | 64 Ų | 64 | 29.2 Ų | 29.2 | 45% | 0.448 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -59.1 | -49.7 | 175.7 | -176.9 | 0 | 0 | 0 | 0 | 111.5 | D355 A356 T361 G362 H363 | D355-S359 WeakPolarHBondContact O-CB 3.31Å; D355-S359 PolarHBondContact O-N 2.82Å; A356-S359 WeakPolarHBondContact O-CB 3.27Å; A356-S359 PolarHBondContact O-N 3.09Å; S359-T361 VanDerWaalsContact C-N 3.29Å; S359-T361 PolarHBondContact O-N 2.88Å; S359-G362 PolarHBondContact O-N 3.19Å; S359-G362 VanDerWaalsContact O-N 3.1Å; S359-H363 PolarHBondContact O-N 3.28Å; S359-H363 PolarHBondContact O-ND1 3.05Å |
| 360 | A | 98.6 | Very high | 97.7 | Very high | 8 Ų | 8 | 29.2 Ų | 29.2 | 7% | 0.066 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -58.4 | -41 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | I326 I332 A356 V357 G362 H363 G364 C365 | I326-A360 HydrophobicContact CG2-CB 4.05Å; I332-A360 HydrophobicContact CD1-CB 4.31Å; A356-A360 WeakPolarHBondContact O-CB 3.39Å; A356-A360 PolarHBondContact O-N 2.97Å; V357-A360 PolarHBondContact O-N 3.22Å; A360-G362 VanDerWaalsContact C-N 3.34Å; A360-G362 PolarHBondContact O-N 3.33Å; A360-H363 CarbonylContact O-C 3.43Å; A360-H363 PolarHBondContact O-N 3.11Å; A360-H363 VanDerWaalsContact O-N 3.09Å; A360-G364 PolarHBondContact O-N 2.64Å; A360-C365 VanDerWaalsContact C-CB 3.5Å; A360-C365 HydrophobicContact CB-CB 3.96Å; A360-C365 WeakPolarHBondContact O-CB 3.19Å; A360-C365 PolarHBondContact O-N 3.34Å |
| 361 | T | 98.5 | Very high | 97.1 | Very high | 24 Ų | 24 | 29.6 Ų | 29.6 | 15% | 0.147 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59 | -45.4 | 175.3 | -51.6 | 0 | 0 | 0 | 0 | 111.3 | V357 V358 S359 H363 G364 T367 K386 | V357-T361 WeakPolarHBondContact O-CB 3.16Å; V357-T361 PolarHBondContact O-N 3.32Å; V357-T361 PolarHBondContact O-OG1 3.43Å; V358-T361 WeakPolarHBondContact O-CB 3.33Å; V358-T361 PolarHBondContact O-N 2.9Å; S359-T361 VanDerWaalsContact C-N 3.29Å; S359-T361 PolarHBondContact O-N 2.88Å; T361-H363 PolarHBondContact O-N 3Å; T361-G364 PolarHBondContact O-N 2.85Å; T361-T367 WeakPolarHBondContact OG1-CB 3.23Å; T361-T367 WeakPolarHBondContact OG1-CG2 3.45Å; T361-T367 PolarHBondContact OG1-OG1 3.01Å; T361-K386 WeakPolarHBondContact CB-O 3.46Å |
| 362 | G | 98.1 | Very high | 96.5 | Very high | 71 Ų | 71 | 28.3 Ų | 28.3 | 73% | 0.732 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -59.6 | -24.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114 | V358 S359 A360 | V358-G362 PolarHBondContact O-N 3.18Å; S359-G362 PolarHBondContact O-N 3.19Å; S359-G362 VanDerWaalsContact O-N 3.1Å; A360-G362 VanDerWaalsContact C-N 3.34Å; A360-G362 PolarHBondContact O-N 3.33Å |
| 363 | H | 97.4 | Very high | 96.1 | Very high | 150 Ų | 150 | 31.5 Ų | 31.5 | 69% | 0.694 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94 | 15.4 | 175.4 | -61.6 | 98.2 | 0 | 0 | 0 | 113.7 | S359 A360 T361 | S359-H363 PolarHBondContact O-N 3.28Å; S359-H363 PolarHBondContact O-ND1 3.05Å; A360-H363 CarbonylContact O-C 3.43Å; A360-H363 PolarHBondContact O-N 3.11Å; A360-H363 VanDerWaalsContact O-N 3.09Å; T361-H363 PolarHBondContact O-N 3Å |
| 364 | G | 96.6 | Very high | 95.9 | Very high | 53 Ų | 53 | 31.3 Ų | 31.3 | 55% | 0.546 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 90.9 | 6.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | A360 T361 T366 | A360-G364 PolarHBondContact O-N 2.64Å; T361-G364 PolarHBondContact O-N 2.85Å; G364-T366 PolarHBondContact O-N 2.97Å |
| 365 | C | 97.8 | Very high | 95.6 | Very high | 4 Ų | 4 | 32.2 Ų | 32.2 | 3% | 0.027 | 22% | 0.221 | C | C | . | . | trans | -67.4 | 132.6 | 171.9 | -177.4 | 0 | 0 | 0 | 0 | 110.6 | K330 A360 T367 S388 | K330-C365 WeakPolarHBondContact O-CA 3.29Å; K330-C365 PolarHBondContact O-SG 3.01Å; K330-C365 VanDerWaalsContact O-SG 3.37Å; A360-C365 VanDerWaalsContact C-CB 3.5Å; A360-C365 HydrophobicContact CB-CB 3.96Å; A360-C365 WeakPolarHBondContact O-CB 3.19Å; A360-C365 PolarHBondContact O-N 3.34Å; C365-T367 HydrophobicContact CB-CG2 4.29Å; C365-T367 PolarHBondContact O-N 2.87Å; C365-S388 PolarHBondContact O-OG 3.06Å | ||
| 366 | T | 97.5 | Very high | 95.2 | Very high | 12 Ų | 12 | 32.5 Ų | 32.5 | 7% | 0.074 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 118.3 | 168.8 | -60.7 | 0 | 0 | 0 | 0 | 109.3 | F194 K197 K330 T331 I332 G364 | F194-T366 HydrophobicContact CD1-CG2 4.39Å; F194-T366 HydrophobicContact CE1-CG2 4.47Å; K197-T366 HydrophobicContact CD-CG2 4.34Å; K197-T366 PolarHBondContact NZ-OG1 3.26Å; K330-T366 PolarHBondContact O-N 3.06Å; T331-T366 CarbonylContact C-O 3.56Å; T331-T366 WeakPolarHBondContact CA-O 3.49Å; I332-T366 PolarHBondContact N-O 2.92Å; G364-T366 PolarHBondContact O-N 2.97Å |
| 367 | T | 97.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 120.2 | -176.3 | 56.4 | 0 | 0 | 0 | 0 | 112 | I332 V357 T361 C365 S388 H389 | I332-T367 HydrophobicContact CB-CG2 4.16Å; I332-T367 HydrophobicContact CD1-CG2 4.09Å; I332-T367 HydrophobicContact CG1-CG2 4.42Å; V357-T367 HydrophobicContact CG1-CG2 3.9Å; T361-T367 WeakPolarHBondContact OG1-CB 3.23Å; T361-T367 WeakPolarHBondContact OG1-CG2 3.45Å; T361-T367 PolarHBondContact OG1-OG1 3.01Å; C365-T367 HydrophobicContact CB-CG2 4.29Å; C365-T367 PolarHBondContact O-N 2.87Å; T367-S388 PolarHBondContact N-OG 3.04Å; T367-S388 VanDerWaalsContact O-CB 3.28Å; T367-S388 WeakPolarHBondContact O-CB 3.42Å; T367-S388 PolarHBondContact O-N 3.18Å; T367-S388 PolarHBondContact OG1-N 3.43Å; T367-S388 PolarHBondContact OG1-OG 2.69Å; T367-H389 PolarHBondContact O-N 3.19Å |
| 368 | I | 96.6 | Very high | 94.6 | Very high | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 115.2 | -179.4 | -58.9 | 174.1 | 0 | 0 | 0 | 109.1 | F194 F195 A198 I332 V333 W334 | F194-I368 HydrophobicContact CB-CD1 3.98Å; F194-I368 HydrophobicContact CB-CG1 4.31Å; F194-I368 HydrophobicContact CD1-CD1 4.42Å; F194-I368 HydrophobicContact CD1-CG1 4.17Å; F194-I368 WeakPolarHBondContact O-CD1 3.4Å; F195-I368 HydrophobicContact CE1-CG2 3.87Å; F195-I368 HydrophobicContact CZ-CG2 3.89Å; A198-I368 HydrophobicContact CB-CD1 3.45Å; A198-I368 VanDerWaalsContact CB-CD1 3.45Å; I332-I368 PolarHBondContact O-N 3.03Å; V333-I368 WeakPolarHBondContact CA-O 3.31Å; V333-I368 HydrophobicContact CG2-CB 4.26Å; V333-I368 HydrophobicContact CG2-CD1 4.43Å; W334-I368 PolarHBondContact N-O 3.22Å |
| 369 | I | 95.2 | Very high | 94.3 | Very high | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 115 | 173.9 | -54 | -58.4 | 0 | 0 | 0 | 108.6 | W334 V357 T374 V387 H389 V390 S391 | W334-I369 HydrophobicContact CB-CD1 4.08Å; W334-I369 HydrophobicContact CD2-CD1 4.33Å; W334-I369 HydrophobicContact CE3-CD1 3.62Å; W334-I369 HydrophobicContact CZ3-CD1 4.43Å; V357-I369 HydrophobicContact CG1-CD1 4.44Å; I369-T374 HydrophobicContact CD1-CG2 4.44Å; I369-T374 HydrophobicContact CG2-CG2 3.56Å; I369-V387 HydrophobicContact CD1-CG1 4.45Å; I369-V387 HydrophobicContact CG1-CB 4.28Å; I369-V387 HydrophobicContact CG1-CG1 4.32Å; I369-V387 HydrophobicContact CG1-CG2 3.96Å; I369-H389 PolarHBondContact N-O 2.87Å; I369-V390 HydrophobicContact CB-CB 4.48Å; I369-V390 HydrophobicContact CB-CG1 4.36Å; I369-V390 HydrophobicContact CB-CG2 4.26Å; I369-V390 HydrophobicContact CG1-CG2 4.32Å; I369-V390 HydrophobicContact CG2-CG1 4.33Å; I369-S391 WeakPolarHBondContact O-CB 3.44Å; I369-S391 PolarHBondContact O-N 3.14Å |
| 370 | G | 91.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | trans | -118.5 | 154.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | W334 N335 | W334-G370 PolarHBondContact O-N 2.79Å; N335-G370 WeakPolarHBondContact CA-O 3.36Å; N335-G370 PolarHBondContact ND2-O 3.26Å | ||
| 371 | G | 86.6 | Confident | 93.9 | Very high | 9 Ų | 9 | 36.8 Ų | 36.8 | 9% | 0.093 | 24% | 0.236 | C | C | . | . | S | Bend | trans | 84.9 | 146.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | N335 A375 S397 | N335-G371 VanDerWaalsContact ND2-CA 3.27Å; N335-G371 WeakPolarHBondContact ND2-CA 3.33Å; N335-G371 PolarHBondContact ND2-N 3.36Å; G371-A375 WeakPolarHBondContact O-CB 3.48Å; G371-A375 PolarHBondContact O-N 2.82Å; G371-A375 VanDerWaalsContact O-N 3.1Å; G371-S397 PolarHBondContact N-OG 2.81Å |
| 372 | G | 86.1 | Confident | 93.8 | Very high | 40 Ų | 40 | 37.7 Ų | 37.7 | 41% | 0.412 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -63.5 | -42.5 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | A375 T376 | G372-A375 PolarHBondContact O-N 2.9Å; G372-T376 WeakPolarHBondContact O-CB 3.25Å; G372-T376 PolarHBondContact O-N 2.84Å; G372-T376 PolarHBondContact O-OG1 3.4Å |
| 373 | D | 90.2 | Very high | 93.8 | Very high | 101 Ų | 101 | 34.4 Ų | 34.4 | 54% | 0.54 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -69 | -40.4 | -176.5 | -54.5 | -29.9 | 0 | 0 | 0 | 111.4 | P337 F341 T376 C377 | P337-D373 HydrophobicContact CG-CB 4.4Å; F341-D373 HydrophobicContact CE1-CB 4.41Å; D373-T376 WeakPolarHBondContact O-CB 3.39Å; D373-T376 PolarHBondContact O-N 2.81Å; D373-C377 PolarHBondContact O-N 3.5Å; D373-C377 PolarHBondContact O-SG 2.93Å |
| 374 | T | 93.3 | Very high | 93.6 | Very high | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.006 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -70.3 | -37.4 | 177.5 | -45.8 | 0 | 0 | 0 | 0 | 112 | W334 G336 I369 T376 C377 C378 | W334-T374 HydrophobicContact CB-CG2 4.39Å; W334-T374 HydrophobicContact CD2-CG2 3.48Å; W334-T374 VanDerWaalsContact CD2-CG2 3.48Å; W334-T374 HydrophobicContact CE3-CG2 3.94Å; W334-T374 HydrophobicContact CG-CG2 3.68Å; W334-T374 HydrophobicContact CZ2-CG2 4.2Å; W334-T374 HydrophobicContact CZ3-CG2 4.47Å; G336-T374 WeakPolarHBondContact CA-OG1 3.29Å; G336-T374 PolarHBondContact N-OG1 2.95Å; I369-T374 HydrophobicContact CD1-CG2 4.44Å; I369-T374 HydrophobicContact CG2-CG2 3.56Å; T374-T376 VanDerWaalsContact C-N 3.3Å; T374-T376 PolarHBondContact O-N 2.85Å; T374-C377 VanDerWaalsContact O-CB 3.31Å; T374-C377 WeakPolarHBondContact O-CB 3.42Å; T374-C377 PolarHBondContact O-N 3.31Å; T374-C378 PolarHBondContact O-N 3.39Å |
| 375 | A | 91.5 | Very high | 93.4 | Very high | 18 Ų | 18 | 38.4 Ų | 38.4 | 15% | 0.149 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.2 | -41.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | G371 G372 C377 C378 V379 V390 | G371-A375 WeakPolarHBondContact O-CB 3.48Å; G371-A375 PolarHBondContact O-N 2.82Å; G371-A375 VanDerWaalsContact O-N 3.1Å; G372-A375 PolarHBondContact O-N 2.9Å; A375-C377 VanDerWaalsContact C-N 3.33Å; A375-C377 PolarHBondContact O-N 3.23Å; A375-C378 WeakPolarHBondContact O-CB 3.37Å; A375-C378 PolarHBondContact O-N 3.24Å; A375-C378 VanDerWaalsContact O-N 3.14Å; A375-V379 WeakPolarHBondContact O-CG2 3.39Å; A375-V379 PolarHBondContact O-N 3.2Å; A375-V379 VanDerWaalsContact O-N 3.15Å; A375-V390 HydrophobicContact CB-CG1 3.84Å |
| 376 | T | 90.7 | Very high | 93.4 | Very high | 78 Ų | 78 | 43.9 Ų | 43.9 | 48% | 0.479 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61.7 | -38.7 | 174.1 | -55.6 | 0 | 0 | 0 | 0 | 111.9 | F341 G372 D373 T374 C378 V379 K380 | F341-T376 HydrophobicContact CE2-CG2 4.15Å; F341-T376 HydrophobicContact CZ-CG2 4.09Å; G372-T376 WeakPolarHBondContact O-CB 3.25Å; G372-T376 PolarHBondContact O-N 2.84Å; G372-T376 PolarHBondContact O-OG1 3.4Å; D373-T376 WeakPolarHBondContact O-CB 3.39Å; D373-T376 PolarHBondContact O-N 2.81Å; T374-T376 VanDerWaalsContact C-N 3.3Å; T374-T376 PolarHBondContact O-N 2.85Å; T376-C378 VanDerWaalsContact C-N 3.34Å; T376-C378 PolarHBondContact O-N 3.19Å; T376-V379 PolarHBondContact O-N 2.92Å; T376-K380 PolarHBondContact O-N 2.82Å |
| 377 | C | 93 | Very high | 93.5 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.5 | -44.3 | 172.4 | -62.9 | 0 | 0 | 0 | 0 | 111.6 | F341 T350 M354 D373 T374 A375 V379 K380 F381 | F341-C377 WeakPolarHBondContact CD1-SG 3.46Å; F341-C377 HydrophobicContact CD2-CB 4.4Å; F341-C377 WeakPolarHBondContact CD2-SG 3.48Å; F341-C377 WeakPolarHBondContact CE1-SG 3.4Å; F341-C377 HydrophobicContact CE2-CB 4.38Å; F341-C377 VanDerWaalsContact CE2-SG 3.51Å; F341-C377 WeakPolarHBondContact CG-SG 3.28Å; F341-C377 VanDerWaalsContact CZ-SG 3.52Å; T350-C377 HydrophobicContact CG2-CB 4.31Å; M354-C377 HydrophobicContact CE-CB 4.11Å; D373-C377 PolarHBondContact O-N 3.5Å; D373-C377 PolarHBondContact O-SG 2.93Å; T374-C377 VanDerWaalsContact O-CB 3.31Å; T374-C377 WeakPolarHBondContact O-CB 3.42Å; T374-C377 PolarHBondContact O-N 3.31Å; A375-C377 VanDerWaalsContact C-N 3.33Å; A375-C377 PolarHBondContact O-N 3.23Å; C377-V379 VanDerWaalsContact C-N 3.3Å; C377-V379 PolarHBondContact O-N 2.96Å; C377-K380 PolarHBondContact O-N 2.89Å; C377-F381 HydrophobicContact CB-CD2 4.46Å; C377-F381 HydrophobicContact CB-CE2 4.32Å; C377-F381 WeakPolarHBondContact O-CD2 3.4Å; C377-F381 WeakPolarHBondContact O-CG 3.44Å; C377-F381 PolarHBondContact O-N 3.39Å |
| 378 | C | 93.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58.5 | -44.1 | 178.5 | -74.3 | 0 | 0 | 0 | 0 | 111.9 | M354 T374 A375 T376 F381 G382 T383 E384 | M354-C378 HydrophobicContact CE-CB 4.28Å; M354-C378 WeakPolarHBondContact CE-SG 3.34Å; T374-C378 PolarHBondContact O-N 3.39Å; A375-C378 WeakPolarHBondContact O-CB 3.37Å; A375-C378 PolarHBondContact O-N 3.24Å; A375-C378 VanDerWaalsContact O-N 3.14Å; T376-C378 VanDerWaalsContact C-N 3.34Å; T376-C378 PolarHBondContact O-N 3.19Å; C378-F381 PolarHBondContact O-N 3.43Å; C378-G382 PolarHBondContact O-N 3.04Å; C378-T383 VanDerWaalsContact CA-OG1 3.27Å; C378-T383 WeakPolarHBondContact CA-OG1 3.47Å; C378-T383 PolarHBondContact O-N 3.35Å; C378-T383 PolarHBondContact O-OG1 3.23Å; C378-E384 HydrophobicContact CB-CG 4.07Å |
| 379 | V | 92 | Very high | 93.3 | Very high | 84 Ų | 84 | 46 Ų | 46 | 51% | 0.509 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -64.7 | -50.1 | 176.8 | 179.7 | 0 | 0 | 0 | 0 | 111 | A375 T376 C377 F381 G382 E384 | A375-V379 WeakPolarHBondContact O-CG2 3.39Å; A375-V379 PolarHBondContact O-N 3.2Å; A375-V379 VanDerWaalsContact O-N 3.15Å; T376-V379 PolarHBondContact O-N 2.92Å; C377-V379 VanDerWaalsContact C-N 3.3Å; C377-V379 PolarHBondContact O-N 2.96Å; V379-F381 PolarHBondContact O-N 3.27Å; V379-F381 VanDerWaalsContact O-N 3.15Å; V379-G382 PolarHBondContact O-N 3.06Å; V379-G382 VanDerWaalsContact O-N 3.1Å; V379-E384 WeakPolarHBondContact CA-OE1 3.34Å; V379-E384 HydrophobicContact CG2-CG 3.95Å; V379-E384 WeakPolarHBondContact CG2-OE1 3.4Å |
| 380 | K | 92.9 | Very high | 93.3 | Very high | 88 Ų | 88 | 47.5 Ų | 47.5 | 38% | 0.383 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -54.2 | -38.2 | 179.3 | -177.9 | 175.3 | 178.5 | 173.3 | 0 | 111.5 | F341 E342 D344 T376 C377 | F341-K380 HydrophobicContact CD2-CD 4.03Å; F341-K380 HydrophobicContact CE2-CD 4.39Å; F341-K380 PolarHBondContact O-NZ 3.21Å; E342-K380 PolarHBondContact O-NZ 3.49Å; D344-K380 IonicContact OD1-NZ 3.52Å; T376-K380 PolarHBondContact O-N 2.82Å; C377-K380 PolarHBondContact O-N 2.89Å |
| 381 | F | 96.2 | Very high | 93.3 | Very high | 37 Ų | 37 | 47.7 Ų | 47.7 | 16% | 0.162 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | 3.2 | -176.7 | -56 | -40.5 | 0 | 0 | 0 | 114.8 | T350 K351 M354 C377 C378 V379 T383 | T350-F381 HydrophobicContact CG2-CE2 4.09Å; K351-F381 HydrophobicContact CB-CE1 4.35Å; K351-F381 HydrophobicContact CB-CE2 4.21Å; K351-F381 HydrophobicContact CB-CZ 3.98Å; K351-F381 HydrophobicContact CD-CB 4.37Å; K351-F381 HydrophobicContact CD-CD1 3.86Å; K351-F381 HydrophobicContact CD-CD2 4.06Å; K351-F381 HydrophobicContact CD-CE1 4.11Å; K351-F381 HydrophobicContact CD-CE2 4.31Å; K351-F381 HydrophobicContact CD-CG 3.84Å; K351-F381 HydrophobicContact CD-CZ 4.33Å; M354-F381 HydrophobicContact CB-CD2 4.17Å; M354-F381 HydrophobicContact CG-CD2 4.18Å; C377-F381 HydrophobicContact CB-CD2 4.46Å; C377-F381 HydrophobicContact CB-CE2 4.32Å; C377-F381 WeakPolarHBondContact O-CD2 3.4Å; C377-F381 WeakPolarHBondContact O-CG 3.44Å; C377-F381 PolarHBondContact O-N 3.39Å; C378-F381 PolarHBondContact O-N 3.43Å; V379-F381 PolarHBondContact O-N 3.27Å; V379-F381 VanDerWaalsContact O-N 3.15Å; F381-T383 HydrophobicContact CB-CG2 4.21Å |
| 382 | G | 95.7 | Very high | 93 | Very high | 43 Ų | 43 | 48.3 Ų | 48.3 | 44% | 0.443 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.9 | 47 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | C378 V379 | C378-G382 PolarHBondContact O-N 3.04Å; V379-G382 PolarHBondContact O-N 3.06Å; V379-G382 VanDerWaalsContact O-N 3.1Å |
| 383 | T | 97.1 | Very high | 92.9 | Very high | 2 Ų | 2 | 46.5 Ų | 46.5 | 1% | 0.012 | 25% | 0.249 | C | C | . | . | trans | -121.5 | 2.9 | -172.7 | 52.9 | 0 | 0 | 0 | 0 | 114 | M354 V358 C378 F381 K385 K386 V387 | M354-T383 HydrophobicContact CG-CG2 3.88Å; M354-T383 HydrophobicContact SD-CG2 4.43Å; M354-T383 PolarHBondContact SD-OG1 2.91Å; M354-T383 VanDerWaalsContact SD-OG1 3.42Å; V358-T383 HydrophobicContact CG2-CG2 3.77Å; C378-T383 VanDerWaalsContact CA-OG1 3.27Å; C378-T383 WeakPolarHBondContact CA-OG1 3.47Å; C378-T383 PolarHBondContact O-N 3.35Å; C378-T383 PolarHBondContact O-OG1 3.23Å; F381-T383 HydrophobicContact CB-CG2 4.21Å; T383-K385 PolarHBondContact O-N 3.41Å; T383-K385 VanDerWaalsContact O-N 3.13Å; T383-K386 HydrophobicContact CG2-CD 4.34Å; T383-K386 WeakPolarHBondContact O-CA 3.02Å; T383-K386 WeakPolarHBondContact O-CB 3.3Å; T383-K386 PolarHBondContact O-N 3.11Å; T383-V387 PolarHBondContact O-N 2.56Å | ||
| 384 | E | 93.1 | Very high | 92.7 | Very high | 80 Ų | 80 | 42.9 Ų | 42.9 | 37% | 0.374 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -34 | -176.6 | -51.8 | 98.9 | 118.1 | 0 | 0 | 112.6 | C378 V379 V390 | C378-E384 HydrophobicContact CB-CG 4.07Å; V379-E384 WeakPolarHBondContact CA-OE1 3.34Å; V379-E384 HydrophobicContact CG2-CG 3.95Å; V379-E384 WeakPolarHBondContact CG2-OE1 3.4Å; E384-V390 HydrophobicContact CB-CG2 4.36Å |
| 385 | K | 94.5 | Very high | 92.3 | Very high | 208 Ų | 208 | 44.4 Ų | 44.4 | 90% | 0.904 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | -1.4 | 177.7 | -61 | -176.5 | -178.9 | 178.7 | 0 | 114 | T383 | T383-K385 PolarHBondContact O-N 3.41Å; T383-K385 VanDerWaalsContact O-N 3.13Å |
| 386 | K | 97.7 | Very high | 92.3 | Very high | 118 Ų | 118 | 43.5 Ų | 43.5 | 51% | 0.513 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.2 | -1.7 | -175.5 | -59.1 | -178.4 | -175.8 | 169.4 | 0 | 113 | V358 T361 T383 | V358-K386 HydrophobicContact CB-CB 4.48Å; V358-K386 HydrophobicContact CG1-CB 3.86Å; V358-K386 HydrophobicContact CG1-CD 4.12Å; V358-K386 HydrophobicContact CG2-CB 3.87Å; T361-K386 WeakPolarHBondContact CB-O 3.46Å; T383-K386 HydrophobicContact CG2-CD 4.34Å; T383-K386 WeakPolarHBondContact O-CA 3.02Å; T383-K386 WeakPolarHBondContact O-CB 3.3Å; T383-K386 PolarHBondContact O-N 3.11Å |
| 387 | V | 97.7 | Very high | 92.4 | Very high | 12 Ų | 12 | 39.8 Ų | 39.8 | 7% | 0.073 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -111.9 | 163.4 | 172.3 | -64.1 | 0 | 0 | 0 | 0 | 109.6 | V357 V358 I369 T383 V390 | V357-V387 HydrophobicContact CG1-CG1 4.11Å; V358-V387 HydrophobicContact CG2-CG1 4.31Å; I369-V387 HydrophobicContact CD1-CG1 4.45Å; I369-V387 HydrophobicContact CG1-CB 4.28Å; I369-V387 HydrophobicContact CG1-CG1 4.32Å; I369-V387 HydrophobicContact CG1-CG2 3.96Å; T383-V387 PolarHBondContact O-N 2.56Å; V387-V390 HydrophobicContact CG2-CG2 3.5Å; V387-V390 VanDerWaalsContact CG2-CG2 3.5Å |
| 388 | S | 96.6 | Very high | 92.2 | Very high | 40 Ų | 40 | 41.6 Ų | 41.6 | 28% | 0.28 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -70.6 | -41.6 | -176.9 | -50 | 0 | 0 | 0 | 0 | 112.3 | F194 C365 T367 | F194-S388 WeakPolarHBondContact CZ-O 3.49Å; C365-S388 PolarHBondContact O-OG 3.06Å; T367-S388 PolarHBondContact N-OG 3.04Å; T367-S388 VanDerWaalsContact O-CB 3.28Å; T367-S388 WeakPolarHBondContact O-CB 3.42Å; T367-S388 PolarHBondContact O-N 3.18Å; T367-S388 PolarHBondContact OG1-N 3.43Å; T367-S388 PolarHBondContact OG1-OG 2.69Å |
| 389 | H | 95.1 | Very high | 92.1 | Very high | 5 Ų | 5 | 44 Ų | 44 | 2% | 0.023 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 135.4 | -179.4 | -175 | 56.3 | 0 | 0 | 0 | 112.5 | K190 E191 F194 T367 I369 | K190-H389 WeakPolarHBondContact CE-ND1 3.04Å; E191-H389 VanDerWaalsContact CD-NE2 3.35Å; E191-H389 IonicContact OE1-NE2 3.81Å; E191-H389 IonicContact OE2-CD2 2.78Å; E191-H389 IonicContact OE2-CE1 2.61Å; E191-H389 IonicContact OE2-NE2 2.76Å; E191-H389 PolarHBondContact OE2-NE2 3.46Å; F194-H389 HydrophobicContact CB-CB 4.29Å; F194-H389 HydrophobicContact CD1-CB 3.59Å; F194-H389 HydrophobicContact CD2-CB 3.73Å; F194-H389 AromaticContact CD2-CG 3.56Å; F194-H389 AromaticContact CD2-ND1 3.8Å; F194-H389 HydrophobicContact CE1-CB 3.74Å; F194-H389 HydrophobicContact CE2-CB 3.88Å; F194-H389 HydrophobicContact CG-CB 3.59Å; F194-H389 AromaticContact CG-CD2 3.94Å; F194-H389 AromaticContact CG-CG 3.68Å; F194-H389 HydrophobicContact CZ-CB 3.88Å; T367-H389 PolarHBondContact O-N 3.19Å; I369-H389 PolarHBondContact N-O 2.87Å |
| 390 | V | 93.7 | Very high | 92.1 | Very high | 34 Ų | 34 | 40.4 Ų | 40.4 | 21% | 0.206 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 116.8 | 168.8 | -175.6 | 0 | 0 | 0 | 0 | 107.8 | I369 A375 E384 V387 | I369-V390 HydrophobicContact CB-CB 4.48Å; I369-V390 HydrophobicContact CB-CG1 4.36Å; I369-V390 HydrophobicContact CB-CG2 4.26Å; I369-V390 HydrophobicContact CG1-CG2 4.32Å; I369-V390 HydrophobicContact CG2-CG1 4.33Å; A375-V390 HydrophobicContact CB-CG1 3.84Å; E384-V390 HydrophobicContact CB-CG2 4.36Å; V387-V390 HydrophobicContact CG2-CG2 3.5Å; V387-V390 VanDerWaalsContact CG2-CG2 3.5Å |
| 391 | S | 91.7 | Very high | 92.1 | Very high | 4 Ų | 4 | 36.2 Ų | 36.2 | 3% | 0.028 | 20% | 0.202 | C | C | . | . | trans | -72 | 131.7 | 178.7 | 149.1 | 0 | 0 | 0 | 0 | 111 | E191 I369 G393 S397 | E191-S391 WeakPolarHBondContact OE1-CA 3.42Å; E191-S391 WeakPolarHBondContact OE2-CA 3.29Å; E191-S391 WeakPolarHBondContact OE2-CB 3.5Å; I369-S391 WeakPolarHBondContact O-CB 3.44Å; I369-S391 PolarHBondContact O-N 3.14Å; S391-G393 VanDerWaalsContact C-N 3.31Å; S391-G393 PolarHBondContact OG-N 3.43Å; S391-G393 PolarHBondContact OG-O 3.5Å; S391-S397 WeakPolarHBondContact OG-CB 3.28Å; S391-S397 PolarHBondContact OG-OG 3.4Å | ||
| 392 | T | 81.1 | Confident | 91.9 | Very high | 22 Ų | 22 | 35.5 Ų | 35.5 | 14% | 0.135 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -77.9 | -17.1 | 177.1 | 59.8 | 0 | 0 | 0 | 0 | 113.2 | R38 E41 L187 E191 | R38-T392 PolarHBondContact NH2-O 2.98Å; E41-T392 VanDerWaalsContact CD-CG2 3.5Å; E41-T392 WeakPolarHBondContact OE1-CG2 3.33Å; E41-T392 WeakPolarHBondContact OE2-CG2 3.42Å; L187-T392 HydrophobicContact CD1-CG2 3.82Å; L187-T392 HydrophobicContact CD2-CG2 4.47Å; E191-T392 PolarHBondContact OE1-N 3.26Å; E191-T392 PolarHBondContact OE1-OG1 3.33Å |
| 393 | G | 84.1 | Confident | 91.7 | Very high | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | trans | -112.8 | 90.6 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | S391 G395 A396 S397 | S391-G393 VanDerWaalsContact C-N 3.31Å; S391-G393 PolarHBondContact OG-N 3.43Å; S391-G393 PolarHBondContact OG-O 3.5Å; G393-G395 PolarHBondContact O-N 2.94Å; G393-A396 PolarHBondContact O-N 3.47Å; G393-S397 VanDerWaalsContact O-CB 3.31Å; G393-S397 WeakPolarHBondContact O-CB 3.23Å; G393-S397 PolarHBondContact O-N 2.75Å; G393-S397 PolarHBondContact O-OG 3.44Å | ||
| 394 | G | 84.7 | Confident | 91.4 | Very high | 26 Ų | 26 | 40.5 Ų | 40.5 | 27% | 0.268 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -56.5 | -50 | -179 | 0 | 0 | 0 | 0 | 0 | 114.1 | S397 L398 | G394-S397 PolarHBondContact O-OG 3.42Å; G394-S397 VanDerWaalsContact O-OG 3.04Å; G394-L398 WeakPolarHBondContact O-CB 3.26Å; G394-L398 PolarHBondContact O-N 3.13Å |
| 395 | G | 86.6 | Confident | 91.4 | Very high | 32 Ų | 32 | 43.2 Ų | 43.2 | 33% | 0.33 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -70 | -41.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | G393 L398 E399 | G393-G395 PolarHBondContact O-N 2.94Å; G395-L398 PolarHBondContact O-N 3.42Å; G395-E399 PolarHBondContact O-N 2.93Å |
| 396 | A | 90.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -66.6 | -43.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113 | F164 H168 G393 L398 L400 L406 | F164-A396 HydrophobicContact CD1-CB 4.27Å; F164-A396 HydrophobicContact CE1-CB 3.96Å; F164-A396 HydrophobicContact CE2-CB 4.32Å; F164-A396 HydrophobicContact CZ-CB 3.98Å; F164-A396 WeakPolarHBondContact O-CB 3.4Å; H168-A396 HydrophobicContact CB-CB 4.32Å; H168-A396 PolarHBondContact ND1-N 3.11Å; G393-A396 PolarHBondContact O-N 3.47Å; A396-L398 VanDerWaalsContact C-N 3.34Å; A396-L400 VanDerWaalsContact O-CB 3.25Å; A396-L400 WeakPolarHBondContact O-CB 3.22Å; A396-L400 PolarHBondContact O-N 3.44Å; A396-L406 HydrophobicContact CB-CD1 4.34Å |
| 397 | S | 91.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.3 | -42.8 | 173.9 | 52.3 | 0 | 0 | 0 | 0 | 111.7 | F195 G371 S391 G393 G394 L400 L401 | F195-S397 VanDerWaalsContact CZ-CB 3.4Å; G371-S397 PolarHBondContact N-OG 2.81Å; S391-S397 WeakPolarHBondContact OG-CB 3.28Å; S391-S397 PolarHBondContact OG-OG 3.4Å; G393-S397 VanDerWaalsContact O-CB 3.31Å; G393-S397 WeakPolarHBondContact O-CB 3.23Å; G393-S397 PolarHBondContact O-N 2.75Å; G393-S397 PolarHBondContact O-OG 3.44Å; G394-S397 PolarHBondContact O-OG 3.42Å; G394-S397 VanDerWaalsContact O-OG 3.04Å; S397-L400 PolarHBondContact O-N 2.66Å; S397-L401 WeakPolarHBondContact O-CB 3.31Å; S397-L401 WeakPolarHBondContact O-CG 3.42Å; S397-L401 PolarHBondContact O-N 2.82Å |
| 398 | L | 89.5 | Confident | 91.4 | Very high | 37 Ų | 37 | 29 Ų | 29 | 19% | 0.194 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60.1 | -54.3 | 176.9 | 177.7 | 59.2 | 0 | 0 | 0 | 111.7 | K218 L221 G394 G395 A396 L400 L401 E402 | K218-L398 HydrophobicContact CD-CD1 4.22Å; K218-L398 VanDerWaalsContact NZ-CD1 3.3Å; L221-L398 HydrophobicContact CB-CD1 4.4Å; L221-L398 HydrophobicContact CD1-CD1 4.28Å; L221-L398 HydrophobicContact CD2-CD1 3.69Å; L221-L398 HydrophobicContact CG-CD1 4.35Å; G394-L398 WeakPolarHBondContact O-CB 3.26Å; G394-L398 PolarHBondContact O-N 3.13Å; G395-L398 PolarHBondContact O-N 3.42Å; A396-L398 VanDerWaalsContact C-N 3.34Å; L398-L400 VanDerWaalsContact C-N 3.27Å; L398-L400 PolarHBondContact O-N 2.65Å; L398-L401 CarbonylContact O-C 3.54Å; L398-L401 PolarHBondContact O-N 2.93Å; L398-L401 VanDerWaalsContact O-N 3.11Å; L398-E402 HydrophobicContact CD1-CG 4.35Å; L398-E402 WeakPolarHBondContact O-CG 3.31Å; L398-E402 PolarHBondContact O-N 3.48Å |
| 399 | E | 92.2 | Very high | 91.3 | Very high | 50 Ų | 50 | 27.4 Ų | 27.4 | 23% | 0.234 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.3 | -36.7 | -179.2 | -73.1 | -170.5 | -148.7 | 0 | 0 | 112.3 | H168 G395 E402 G403 K404 L406 | H168-E399 HydrophobicContact CB-CG 4.43Å; H168-E399 IonicContact CD2-OE1 2.77Å; H168-E399 PolarHBondContact CD2-OE1 3.06Å; H168-E399 IonicContact CG-OE1 3.53Å; G395-E399 PolarHBondContact O-N 2.93Å; E399-E402 WeakPolarHBondContact O-CB 3.24Å; E399-E402 PolarHBondContact O-N 3.2Å; E399-G403 PolarHBondContact O-N 3.36Å; E399-K404 HydrophobicContact CB-CB 4.23Å; E399-K404 HydrophobicContact CB-CD 3.95Å; E399-K404 HydrophobicContact CG-CD 3.9Å; E399-K404 WeakPolarHBondContact O-CB 3.38Å; E399-K404 PolarHBondContact O-N 2.61Å; E399-L406 HydrophobicContact CB-CD2 3.93Å |
| 400 | L | 92.2 | Very high | 91.4 | Very high | 9 Ų | 9 | 28.7 Ų | 28.7 | 5% | 0.047 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -65.5 | -41.3 | 175.1 | -175.3 | 59.2 | 0 | 0 | 0 | 112.2 | L3 F164 F195 L199 A396 S397 L398 E402 G403 L406 | L3-L400 HydrophobicContact CD1-CD1 4.27Å; L3-L400 HydrophobicContact CD2-CD1 3.63Å; F164-L400 HydrophobicContact CE2-CD2 4.44Å; F164-L400 HydrophobicContact CZ-CD2 4.38Å; F195-L400 HydrophobicContact CB-CD2 3.44Å; F195-L400 VanDerWaalsContact CB-CD2 3.44Å; F195-L400 HydrophobicContact CB-CG 4.3Å; F195-L400 HydrophobicContact CD1-CD2 4.12Å; F195-L400 HydrophobicContact CD2-CD2 3.64Å; F195-L400 HydrophobicContact CE2-CD2 4.47Å; F195-L400 HydrophobicContact CG-CD2 3.46Å; F195-L400 VanDerWaalsContact CG-CD2 3.46Å; F195-L400 HydrophobicContact CG-CG 4.34Å; L199-L400 HydrophobicContact CD1-CG 4.17Å; A396-L400 VanDerWaalsContact O-CB 3.25Å; A396-L400 WeakPolarHBondContact O-CB 3.22Å; A396-L400 PolarHBondContact O-N 3.44Å; S397-L400 PolarHBondContact O-N 2.66Å; L398-L400 VanDerWaalsContact C-N 3.27Å; L398-L400 PolarHBondContact O-N 2.65Å; L400-E402 VanDerWaalsContact C-N 3.27Å; L400-E402 PolarHBondContact O-N 2.97Å; L400-G403 PolarHBondContact O-N 2.95Å; L400-L406 HydrophobicContact CB-CD1 4.17Å; L400-L406 HydrophobicContact CB-CD2 4.4Å; L400-L406 HydrophobicContact CB-CG 4.39Å; L400-L406 HydrophobicContact CD1-CD1 4.47Å; L400-L406 HydrophobicContact CD1-CG 4.46Å; L400-L406 HydrophobicContact CD2-CD1 4.32Å |
| 401 | L | 91.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -69.5 | -23.6 | 174.2 | -68.5 | 172.1 | 0 | 0 | 0 | 112.9 | F195 L199 L221 N224 L225 V333 S397 L398 G403 | F195-L401 HydrophobicContact CD1-CD2 3.9Å; F195-L401 HydrophobicContact CD1-CG 4.3Å; F195-L401 HydrophobicContact CE1-CD1 4.19Å; F195-L401 HydrophobicContact CE1-CD2 3.77Å; F195-L401 HydrophobicContact CE1-CG 3.84Å; L199-L401 HydrophobicContact CD1-CD2 4.24Å; L199-L401 HydrophobicContact CD2-CD2 3.92Å; L199-L401 HydrophobicContact CG-CD2 4.34Å; L221-L401 HydrophobicContact CD1-CB 3.33Å; L221-L401 HydrophobicContact CD1-CD1 4.43Å; L221-L401 HydrophobicContact CD1-CG 4.49Å; N224-L401 PolarHBondContact ND2-O 3.34Å; L225-L401 HydrophobicContact CD2-CD2 4.49Å; V333-L401 HydrophobicContact CB-CD2 4.5Å; V333-L401 HydrophobicContact CG1-CD1 3.51Å; V333-L401 HydrophobicContact CG1-CD2 3.62Å; V333-L401 HydrophobicContact CG1-CG 4.22Å; V333-L401 HydrophobicContact CG2-CD2 4.19Å; S397-L401 WeakPolarHBondContact O-CB 3.31Å; S397-L401 WeakPolarHBondContact O-CG 3.42Å; S397-L401 PolarHBondContact O-N 2.82Å; L398-L401 CarbonylContact O-C 3.54Å; L398-L401 PolarHBondContact O-N 2.93Å; L398-L401 VanDerWaalsContact O-N 3.11Å; L401-G403 PolarHBondContact O-N 3.2Å |
| 402 | E | 92.5 | Very high | 91.8 | Very high | 23 Ų | 23 | 28 Ų | 28 | 11% | 0.107 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -6.9 | 168.7 | -68.8 | 173.8 | 170.6 | 0 | 0 | 112.7 | Q220 L221 L398 E399 L400 K404 | Q220-E402 HydrophobicContact CB-CB 4.27Å; Q220-E402 HydrophobicContact CB-CG 4.17Å; L221-E402 HydrophobicContact CB-CG 3.78Å; L221-E402 HydrophobicContact CD1-CG 4.34Å; L398-E402 HydrophobicContact CD1-CG 4.35Å; L398-E402 WeakPolarHBondContact O-CG 3.31Å; L398-E402 PolarHBondContact O-N 3.48Å; E399-E402 WeakPolarHBondContact O-CB 3.24Å; E399-E402 PolarHBondContact O-N 3.2Å; L400-E402 VanDerWaalsContact C-N 3.27Å; L400-E402 PolarHBondContact O-N 2.97Å; E402-K404 HydrophobicContact CB-CD 4.44Å; E402-K404 HydrophobicContact CB-CG 4.35Å; E402-K404 WeakPolarHBondContact OE2-CE 3.4Å; E402-K404 IonicContact OE2-NZ 3.45Å; E402-K404 PolarHBondContact OE2-NZ 3.06Å |
| 403 | G | 90.1 | Very high | 92.6 | Very high | 51 Ų | 51 | 27.6 Ų | 27.6 | 53% | 0.526 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82.2 | 12.5 | -178 | 0 | 0 | 0 | 0 | 0 | 113.9 | N224 E399 L400 L401 | N224-G403 PolarHBondContact ND2-N 3.05Å; E399-G403 PolarHBondContact O-N 3.36Å; L400-G403 PolarHBondContact O-N 2.95Å; L401-G403 PolarHBondContact O-N 3.2Å |
| 404 | K | 92.2 | Very high | 93 | Very high | 98 Ų | 98 | 32.2 Ų | 32.2 | 43% | 0.426 | 20% | 0.202 | S | C | . | . | trans | -75.8 | 144.1 | 175.8 | -64.2 | 170.6 | 173.9 | 163.1 | 0 | 110.6 | E399 E402 | E399-K404 HydrophobicContact CB-CB 4.23Å; E399-K404 HydrophobicContact CB-CD 3.95Å; E399-K404 HydrophobicContact CG-CD 3.9Å; E399-K404 WeakPolarHBondContact O-CB 3.38Å; E399-K404 PolarHBondContact O-N 2.61Å; E402-K404 HydrophobicContact CB-CD 4.44Å; E402-K404 HydrophobicContact CB-CG 4.35Å; E402-K404 WeakPolarHBondContact OE2-CE 3.4Å; E402-K404 IonicContact OE2-NZ 3.45Å; E402-K404 PolarHBondContact OE2-NZ 3.06Å | ||
| 405 | E | 92.6 | Very high | 93.2 | Very high | 137 Ų | 137 | 32.3 Ų | 32.3 | 64% | 0.64 | 20% | 0.2 | S | C | * | . | trans | -73.6 | 127.4 | 168.3 | -175.4 | 175.1 | -123.1 | 0 | 0 | 109.6 | P407 A410 | E405-P407 WeakPolarHBondContact O-CD 3.45Å; E405-A410 HydrophobicContact CG-CB 3.82Å | ||
| 406 | L | 95.3 | Very high | 92.7 | Very high | 4 Ų | 4 | 40.1 Ų | 40.1 | 2% | 0.021 | 23% | 0.225 | C | C | . | . | trans | -81.4 | 115.5 | 176.8 | -58.7 | -175.9 | 0 | 0 | 0 | 109.4 | F164 A167 H168 A396 E399 L400 G408 V409 A410 | F164-L406 HydrophobicContact CE2-CD1 3.88Å; F164-L406 HydrophobicContact CZ-CD1 4.47Å; A167-L406 HydrophobicContact CB-CB 4.38Å; A167-L406 HydrophobicContact CB-CD1 4.15Å; A167-L406 CarbonylContact O-C 3.53Å; H168-L406 HydrophobicContact CB-CD2 3.96Å; A396-L406 HydrophobicContact CB-CD1 4.34Å; E399-L406 HydrophobicContact CB-CD2 3.93Å; L400-L406 HydrophobicContact CB-CD1 4.17Å; L400-L406 HydrophobicContact CB-CD2 4.4Å; L400-L406 HydrophobicContact CB-CG 4.39Å; L400-L406 HydrophobicContact CD1-CD1 4.47Å; L400-L406 HydrophobicContact CD1-CG 4.46Å; L400-L406 HydrophobicContact CD2-CD1 4.32Å; L406-G408 VanDerWaalsContact C-N 3.29Å; L406-G408 PolarHBondContact O-N 3.21Å; L406-V409 HydrophobicContact CB-CB 4.02Å; L406-V409 HydrophobicContact CB-CG2 3.77Å; L406-V409 HydrophobicContact CD1-CG2 3.99Å; L406-V409 HydrophobicContact CG-CG2 4.49Å; L406-V409 WeakPolarHBondContact O-CA 3.11Å; L406-V409 WeakPolarHBondContact O-CB 3.31Å; L406-V409 PolarHBondContact O-N 3.29Å; L406-A410 PolarHBondContact O-N 3.03Å | ||
| 407 | P | 96.9 | Very high | 90.9 | Very high | 37 Ų | 37 | 48.4 Ų | 48.4 | 24% | 0.24 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -55.5 | -40.6 | -174.4 | -27.8 | 35.5 | 0 | 0 | 0 | 114 | A167 A170 V175 E405 V409 A410 A411 | A167-P407 WeakPolarHBondContact O-CD 3.43Å; A170-P407 HydrophobicContact CB-CB 3.92Å; A170-P407 HydrophobicContact CB-CG 4.16Å; V175-P407 HydrophobicContact CG1-CB 3.88Å; E405-P407 WeakPolarHBondContact O-CD 3.45Å; P407-V409 VanDerWaalsContact C-N 3.26Å; P407-V409 PolarHBondContact O-N 3.31Å; P407-A410 PolarHBondContact O-N 3.37Å; P407-A411 WeakPolarHBondContact O-CB 3.41Å; P407-A411 PolarHBondContact O-N 2.94Å |
| 408 | G | 96.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -69.8 | -19.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | N161 A167 L406 | N161-G408 PolarHBondContact ND2-O 2.95Å; A167-G408 PolarHBondContact O-N 3.44Å; L406-G408 VanDerWaalsContact C-N 3.29Å; L406-G408 PolarHBondContact O-N 3.21Å |
| 409 | V | 96.2 | Very high | 91 | Very high | 5 Ų | 5 | 51.5 Ų | 51.5 | 3% | 0.03 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -86.7 | -43.5 | 171.4 | 178.4 | 0 | 0 | 0 | 0 | 109.8 | K5 A167 L192 L406 P407 A411 L412 | K5-V409 HydrophobicContact CD-CG1 4.5Å; K5-V409 WeakPolarHBondContact CE-O 3.46Å; K5-V409 HydrophobicContact CG-CG1 3.82Å; K5-V409 PolarHBondContact NZ-O 3.38Å; A167-V409 HydrophobicContact CB-CG2 4.07Å; L192-V409 HydrophobicContact CD1-CG1 3.85Å; L192-V409 HydrophobicContact CD2-CG1 3.96Å; L192-V409 HydrophobicContact CD2-CG2 3.95Å; L406-V409 HydrophobicContact CB-CB 4.02Å; L406-V409 HydrophobicContact CB-CG2 3.77Å; L406-V409 HydrophobicContact CD1-CG2 3.99Å; L406-V409 HydrophobicContact CG-CG2 4.49Å; L406-V409 WeakPolarHBondContact O-CA 3.11Å; L406-V409 WeakPolarHBondContact O-CB 3.31Å; L406-V409 PolarHBondContact O-N 3.29Å; P407-V409 VanDerWaalsContact C-N 3.26Å; P407-V409 PolarHBondContact O-N 3.31Å; V409-A411 PolarHBondContact O-N 3.49Å; V409-L412 WeakPolarHBondContact O-CB 3.32Å; V409-L412 PolarHBondContact O-N 3.16Å |
| 410 | A | 96.2 | Very high | 90.9 | Very high | 32 Ų | 32 | 51.6 Ų | 51.6 | 26% | 0.264 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -55.1 | -40.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | K5 E405 L406 P407 L412 | K5-A410 PolarHBondContact NZ-O 3.08Å; E405-A410 HydrophobicContact CG-CB 3.82Å; L406-A410 PolarHBondContact O-N 3.03Å; P407-A410 PolarHBondContact O-N 3.37Å; A410-L412 PolarHBondContact O-N 3.48Å |
| 411 | A | 96.8 | Very high | 90.8 | Very high | 19 Ų | 19 | 54.1 Ų | 54.1 | 16% | 0.157 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -12.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | V175 R182 P407 V409 | V175-A411 HydrophobicContact CB-CB 4.22Å; V175-A411 HydrophobicContact CG1-CB 4.17Å; R182-A411 WeakPolarHBondContact CD-O 3.41Å; R182-A411 PolarHBondContact NH1-O 2.95Å; P407-A411 WeakPolarHBondContact O-CB 3.41Å; P407-A411 PolarHBondContact O-N 2.94Å; V409-A411 PolarHBondContact O-N 3.49Å |
| 412 | L | 97.8 | Very high | 90.8 | Very high | 4 Ų | 4 | 57.5 Ų | 57.5 | 2% | 0.021 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -78.6 | 148.7 | 176.4 | -60.7 | 179.3 | 0 | 0 | 0 | 112.1 | K5 Y159 N161 R182 A183 A184 L188 V409 A410 | K5-L412 HydrophobicContact CB-CB 4.16Å; K5-L412 HydrophobicContact CB-CD1 4.25Å; K5-L412 HydrophobicContact CD-CB 4.05Å; K5-L412 HydrophobicContact CG-CB 4.13Å; K5-L412 HydrophobicContact CG-CD1 4.42Å; K5-L412 PolarHBondContact NZ-O 3.11Å; Y159-L412 HydrophobicContact CD1-CD2 4.18Å; Y159-L412 HydrophobicContact CE1-CD2 3.89Å; N161-L412 HydrophobicContact CB-CD1 4.38Å; N161-L412 HydrophobicContact CB-CD2 3.81Å; R182-L412 HydrophobicContact CB-CD2 4.11Å; A183-L412 WeakPolarHBondContact O-CD2 3.46Å; A184-L412 HydrophobicContact CB-CD1 4.02Å; L188-L412 HydrophobicContact CD2-CD1 3.81Å; V409-L412 WeakPolarHBondContact O-CB 3.32Å; V409-L412 PolarHBondContact O-N 3.16Å; A410-L412 PolarHBondContact O-N 3.48Å |
| 413 | S | 96.8 | Very high | 90.7 | Very high | 15 Ų | 15 | 59.8 Ų | 59.8 | 11% | 0.105 | 37% | 0.372 | C | S | . | . | P | Polyproline II helix | trans | -60.1 | 141.2 | 173.9 | -57.8 | 0 | 0 | 0 | 0 | 110 | L6 D180 R182 | L6-S413 WeakPolarHBondContact CB-O 3.32Å; L6-S413 PolarHBondContact N-O 3.19Å; D180-S413 PolarHBondContact O-OG 2.71Å; R182-S413 PolarHBondContact N-OG 3.34Å; R182-S413 WeakPolarHBondContact O-CB 3.36Å; R182-S413 PolarHBondContact O-N 3.09Å; R182-S413 PolarHBondContact O-OG 3.33Å |
| 414 | P | 93.2 | Very high | 90.7 | Very high | 97 Ų | 97 | 60.4 Ų | 60.4 | 63% | 0.63 | 36% | 0.361 | S | S | * | . | B | Isolated β-bridge | trans | -63.5 | 150.1 | 174.4 | 28.6 | -34.7 | 0 | 0 | 0 | 110.2 | K416 | P414-K416 PolarHBondContact O-N 3.49Å |
| 415 | A | 88.2 | Confident | 90.6 | Very high | 28 Ų | 28 | 57.5 Ų | 57.5 | 23% | 0.231 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -62.3 | 136.5 | 164.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | N4 | N4-A415 PolarHBondContact O-N 3.2Å; N4-A415 WeakPolarHBondContact OD1-CB 3.37Å |
| 416 | K | 76.5 | Confident | 90.4 | Very high | 196 Ų | 196 | 50.9 Ų | 50.9 | 85% | 0.852 | 33% | 0.333 | S | S | * | . | P | Polyproline II helix | trans | -63.1 | 138 | 168.5 | -67.7 | -175.4 | 179.1 | -178 | 0 | 108 | P414 | P414-K416 PolarHBondContact O-N 3.49Š|
| 417 | A | 54.2 | Low | 90 | Very high | 174 Ų | 174 | 55.2 Ų | 55.2 | 100% | 1.438 | 36% | 0.361 | S | S | * | . | trans | -59.7 | 0 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 |
Retrieved 417 of 417 residues in 323.4 ms
(Link to these results)