| 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 | 88.6 | Confident | 94.2 | Very high | 79 Ų | 79 | 43.5 Ų | 43.5 | 39% | 0.389 | 23% | 0.228 | S | C | . | . | 0 | 127.2 | 0 | -63.5 | -61.9 | -80.4 | 0 | 0 | 107.6 | V16 V17 V69 W71 | M1-V16 WeakPolarHBondContact O-CA 3.39Å; M1-V17 HydrophobicContact CB-CG2 4.28Å; M1-V17 PolarHBondContact N-O 2.78Å; M1-V17 PolarHBondContact O-N 2.93Å; M1-V69 HydrophobicContact CE-CG1 3.6Å; M1-W71 HydrophobicContact CB-CE3 4.05Å; M1-W71 HydrophobicContact CB-CH2 3.73Å; M1-W71 HydrophobicContact CB-CZ2 4.42Å; M1-W71 HydrophobicContact CB-CZ3 3.52Å; M1-W71 HydrophobicContact CE-CH2 3.78Å; M1-W71 HydrophobicContact CE-CZ2 3.42Å; M1-W71 VanDerWaalsContact CE-CZ2 3.42Å; M1-W71 HydrophobicContact CG-CH2 3.65Å; M1-W71 HydrophobicContact CG-CZ2 4.3Å; M1-W71 HydrophobicContact CG-CZ3 3.96Å | |||
| 2 | H | 92.9 | Very high | 94.3 | Very high | 79 Ų | 79 | 45.4 Ų | 45.4 | 37% | 0.366 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 128.9 | -177 | -164.4 | -84.7 | 0 | 0 | 0 | 111 | E14 P70 W71 | H2-E14 IonicContact CE1-OE2 2.94Å; H2-E14 IonicContact NE2-OE2 3.37Å; H2-P70 HydrophobicContact CB-CB 4.48Å; H2-W71 PolarHBondContact O-N 3.31Å; H2-W71 VanDerWaalsContact O-N 3.07Å |
| 3 | C | 95.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 139.7 | 177.3 | -65.4 | 0 | 0 | 0 | 0 | 109.6 | E14 C15 V17 L26 W71 | C3-E14 WeakPolarHBondContact O-CA 3.36Å; C3-C15 PolarHBondContact N-O 3.39Å; C3-C15 PolarHBondContact O-N 2.91Å; C3-V17 VanDerWaalsContact SG-CG2 3.52Å; C3-L26 HydrophobicContact CB-CD1 4.04Å; C3-L26 HydrophobicContact CB-CD2 4.27Å; C3-W71 CarbonylContact C-O 3.58Å; C3-W71 WeakPolarHBondContact CA-O 3.47Å |
| 4 | K | 96.5 | Very high | 94.7 | Very high | 70 Ų | 70 | 49.2 Ų | 49.2 | 30% | 0.304 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 124.4 | 173.1 | -179.2 | 179.4 | -174.6 | 101.6 | 0 | 108.2 | V12 E14 W71 N72 F73 | K4-V12 HydrophobicContact CD-CG1 4.11Å; K4-V12 HydrophobicContact CG-CG1 3.46Å; K4-V12 VanDerWaalsContact CG-CG1 3.46Å; K4-E14 HydrophobicContact CB-CG 4.45Å; K4-E14 HydrophobicContact CG-CG 4.18Å; K4-E14 IonicContact NZ-OE1 3.54Å; K4-E14 PolarHBondContact NZ-OE1 3.35Å; K4-W71 PolarHBondContact N-O 3.1Å; K4-N72 WeakPolarHBondContact CB-OD1 3.36Å; K4-N72 CarbonylContact O-C 3.51Å; K4-N72 WeakPolarHBondContact O-CA 3.41Å; K4-F73 PolarHBondContact O-N 2.82Å |
| 5 | V | 97.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 115 | -178.7 | -171.5 | 0 | 0 | 0 | 0 | 108.7 | L7 V12 Y13 L26 V30 L44 F73 F75 | V5-L7 HydrophobicContact CG1-CD2 4Å; V5-V12 WeakPolarHBondContact O-CA 3.14Å; V5-Y13 PolarHBondContact N-O 3.12Å; V5-Y13 PolarHBondContact O-N 3.4Å; V5-L26 HydrophobicContact CG2-CD1 4.37Å; V5-V30 HydrophobicContact CB-CG2 4.31Å; V5-V30 HydrophobicContact CG1-CG2 4.17Å; V5-V30 HydrophobicContact CG2-CG2 3.95Å; V5-L44 HydrophobicContact CG1-CD2 3.72Å; V5-F73 CarbonylContact C-O 3.57Å; V5-F73 WeakPolarHBondContact CA-O 3.5Å; V5-F73 HydrophobicContact CG1-CB 4.44Å; V5-F73 HydrophobicContact CG2-CB 4.33Å; V5-F73 HydrophobicContact CG2-CD2 4.44Å; V5-F75 HydrophobicContact CG1-CB 4.02Å |
| 6 | S | 96.8 | Very high | 94.7 | Very high | 52 Ų | 52 | 49.7 Ų | 49.7 | 36% | 0.364 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 125.5 | 168.8 | -56.2 | 0 | 0 | 0 | 0 | 109.2 | F73 T74 F75 | S6-F73 PolarHBondContact N-O 3.32Å; S6-T74 CarbonylContact O-C 3.58Å; S6-T74 WeakPolarHBondContact O-CA 3.3Å; S6-F75 PolarHBondContact O-N 3.48Å |
| 7 | L | 96.9 | Very high | 94.7 | Very high | 6 Ų | 6 | 46.9 Ų | 46.9 | 3% | 0.031 | 25% | 0.248 | C | C | . | . | trans | -92 | 172 | -177.4 | -58.1 | -180 | 0 | 0 | 0 | 111 | V5 D9 D10 T11 V30 L34 F75 | V5-L7 HydrophobicContact CG1-CD2 4Å; L7-D9 VanDerWaalsContact C-N 3.25Å; L7-D9 WeakPolarHBondContact CB-OD1 2.77Å; L7-D9 PolarHBondContact O-N 2.85Å; L7-D10 PolarHBondContact O-N 3.45Å; L7-T11 WeakPolarHBondContact CD1-OG1 3.3Å; L7-T11 PolarHBondContact N-O 3.49Å; L7-V30 HydrophobicContact CD2-CG1 3.78Å; L7-L34 HydrophobicContact CD1-CD2 3.6Å; L7-L34 HydrophobicContact CD1-CG 4.46Å; L7-L34 HydrophobicContact CD2-CD1 4.26Å; L7-F75 HydrophobicContact CD2-CB 3.8Å; L7-F75 HydrophobicContact CD2-CG 4.28Å | ||
| 8 | L | 95.4 | Very high | 94.7 | Very high | 5 Ų | 5 | 52.3 Ų | 52.3 | 3% | 0.026 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -17.5 | -176.2 | -72.5 | 173.2 | 0 | 0 | 0 | 113.6 | D10 F42 F75 V77 Y95 L98 Q99 Q102 | L8-D10 VanDerWaalsContact C-N 3.28Å; L8-F42 HydrophobicContact CD1-CE1 4.47Å; L8-F75 HydrophobicContact CD1-CD1 4.25Å; L8-F75 HydrophobicContact CD1-CE1 4.49Å; L8-F75 WeakPolarHBondContact CD2-O 3.48Å; L8-F75 HydrophobicContact CG-CD1 4.3Å; L8-F75 WeakPolarHBondContact CG-O 3.37Å; L8-V77 HydrophobicContact CD1-CG2 4.3Å; L8-Y95 HydrophobicContact CB-CD1 3.94Å; L8-Y95 HydrophobicContact CB-CE1 4.3Å; L8-Y95 HydrophobicContact CD1-CD1 3.99Å; L8-Y95 WeakPolarHBondContact CD1-O 3.29Å; L8-Y95 HydrophobicContact CG-CD1 4.44Å; L8-L98 HydrophobicContact CB-CB 3.94Å; L8-L98 HydrophobicContact CB-CD1 4.18Å; L8-Q99 HydrophobicContact CD1-CB 4.11Å; L8-Q99 HydrophobicContact CD2-CB 4.2Å; L8-Q102 PolarHBondContact O-NE2 2.98Å |
| 9 | D | 91.5 | Very high | 94.4 | Very high | 19 Ų | 19 | 56.8 Ų | 56.8 | 10% | 0.102 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | 18.1 | 177.6 | 70.9 | -15.8 | 0 | 0 | 0 | 112.2 | L7 T11 L98 T325 | L7-D9 VanDerWaalsContact C-N 3.25Å; L7-D9 WeakPolarHBondContact CB-OD1 2.77Å; L7-D9 PolarHBondContact O-N 2.85Å; D9-T11 VanDerWaalsContact CG-OG1 3.28Å; D9-T11 PolarHBondContact O-N 3.38Å; D9-T11 VanDerWaalsContact OD1-CB 3.3Å; D9-T11 WeakPolarHBondContact OD1-CB 3.45Å; D9-T11 WeakPolarHBondContact OD1-CG2 3.44Å; D9-T11 PolarHBondContact OD1-N 3.21Å; D9-T11 PolarHBondContact OD1-OG1 3.11Å; D9-T11 VanDerWaalsContact OD2-CG2 3.23Å; D9-T11 WeakPolarHBondContact OD2-CG2 3.41Å; D9-T11 PolarHBondContact OD2-OG1 3.1Å; D9-L98 HydrophobicContact CB-CD1 3.89Å; D9-T325 WeakPolarHBondContact CB-OG1 3.21Å |
| 10 | D | 90.7 | Very high | 94.4 | Very high | 132 Ų | 132 | 59.6 Ų | 59.6 | 71% | 0.706 | 30% | 0.301 | S | S | * | . | S | Bend | trans | 58.8 | 9.1 | -175.3 | -60.8 | -38.1 | 0 | 0 | 0 | 114.9 | L7 L8 | L7-D10 PolarHBondContact O-N 3.45Å; L8-D10 VanDerWaalsContact C-N 3.28Å |
| 11 | T | 93.6 | Very high | 94.5 | Very high | 36 Ų | 36 | 57.1 Ų | 57.1 | 22% | 0.221 | 29% | 0.289 | C | S | . | . | trans | -75.7 | 165.9 | 167.3 | 69.3 | 0 | 0 | 0 | 0 | 110.7 | L7 D9 | L7-T11 WeakPolarHBondContact CD1-OG1 3.3Å; L7-T11 PolarHBondContact N-O 3.49Å; D9-T11 VanDerWaalsContact CG-OG1 3.28Å; D9-T11 PolarHBondContact O-N 3.38Å; D9-T11 VanDerWaalsContact OD1-CB 3.3Å; D9-T11 WeakPolarHBondContact OD1-CB 3.45Å; D9-T11 WeakPolarHBondContact OD1-CG2 3.44Å; D9-T11 PolarHBondContact OD1-N 3.21Å; D9-T11 PolarHBondContact OD1-OG1 3.11Å; D9-T11 VanDerWaalsContact OD2-CG2 3.23Å; D9-T11 WeakPolarHBondContact OD2-CG2 3.41Å; D9-T11 PolarHBondContact OD2-OG1 3.1Å | ||
| 12 | V | 95.9 | Very high | 94.8 | Very high | 67 Ų | 67 | 58.3 Ų | 58.3 | 41% | 0.406 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 123.9 | 176.2 | 178.1 | 0 | 0 | 0 | 0 | 108.4 | K4 V5 E14 | K4-V12 HydrophobicContact CD-CG1 4.11Å; K4-V12 HydrophobicContact CG-CG1 3.46Å; K4-V12 VanDerWaalsContact CG-CG1 3.46Å; V5-V12 WeakPolarHBondContact O-CA 3.14Å; V12-E14 HydrophobicContact CG1-CG 3.8Å |
| 13 | Y | 96.6 | Very high | 94.9 | Very high | 44 Ų | 44 | 54.6 Ų | 54.6 | 17% | 0.173 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 120.4 | 170.1 | 178.4 | -109.1 | 0 | 0 | 0 | 110.2 | V5 C15 V30 H33 | V5-Y13 PolarHBondContact N-O 3.12Å; V5-Y13 PolarHBondContact O-N 3.4Å; Y13-C15 HydrophobicContact CE1-CB 3.73Å; Y13-V30 HydrophobicContact CD1-CG2 3.85Å; Y13-V30 HydrophobicContact CE1-CG2 4.16Å; Y13-H33 HydrophobicContact CD2-CB 3.99Å; Y13-H33 AromaticContact CD2-CD2 3.27Å; Y13-H33 WeakPolarHBondContact CD2-CD2 3.46Å; Y13-H33 AromaticContact CD2-CE1 3.9Å; Y13-H33 AromaticContact CD2-CG 3.42Å; Y13-H33 VanDerWaalsContact CD2-CG 3.42Å; Y13-H33 AromaticContact CD2-ND1 3.82Å; Y13-H33 AromaticContact CD2-NE2 3.57Å; Y13-H33 HydrophobicContact CE2-CB 3.66Å; Y13-H33 AromaticContact CE2-CD2 3.84Å; Y13-H33 AromaticContact CE2-CG 3.46Å; Y13-H33 VanDerWaalsContact CE2-CG 3.46Å; Y13-H33 AromaticContact CE2-ND1 3.76Å; Y13-H33 AromaticContact CG-CD2 3.81Å |
| 14 | E | 96.8 | Very high | 94.9 | Very high | 100 Ų | 100 | 57.7 Ų | 57.7 | 47% | 0.467 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 131.5 | 177.7 | -59.1 | -166.8 | 164.8 | 0 | 0 | 110.4 | H2 C3 K4 V12 | H2-E14 IonicContact CE1-OE2 2.94Å; H2-E14 IonicContact NE2-OE2 3.37Å; C3-E14 WeakPolarHBondContact O-CA 3.36Å; K4-E14 HydrophobicContact CB-CG 4.45Å; K4-E14 HydrophobicContact CG-CG 4.18Å; K4-E14 IonicContact NZ-OE1 3.54Å; K4-E14 PolarHBondContact NZ-OE1 3.35Å; V12-E14 HydrophobicContact CG1-CG 3.8Å |
| 15 | C | 95.6 | Very high | 94.9 | Very high | 13 Ų | 13 | 57.9 Ų | 57.9 | 9% | 0.088 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 165.1 | 179.5 | 72.1 | 0 | 0 | 0 | 0 | 112.5 | C3 Y13 L26 | C3-C15 PolarHBondContact N-O 3.39Å; C3-C15 PolarHBondContact O-N 2.91Å; Y13-C15 HydrophobicContact CE1-CB 3.73Å; C15-L26 VanDerWaalsContact SG-CD1 3.52Å |
| 16 | V | 94.9 | Very high | 94.9 | Very high | 93 Ų | 93 | 57.9 Ų | 57.9 | 56% | 0.564 | 29% | 0.294 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 117.8 | 176.1 | -177.2 | 0 | 0 | 0 | 0 | 110.1 | M1 R29 | M1-V16 WeakPolarHBondContact O-CA 3.39Å; V16-R29 PolarHBondContact O-NH1 3Å |
| 17 | V | 94.3 | Very high | 94.9 | Very high | 3 Ų | 3 | 55.9 Ų | 55.9 | 2% | 0.018 | 28% | 0.28 | C | S | . | . | trans | -102.3 | 158.2 | 175.8 | -58.4 | 0 | 0 | 0 | 0 | 111.9 | M1 C3 A21 L26 I62 W71 | M1-V17 HydrophobicContact CB-CG2 4.28Å; M1-V17 PolarHBondContact N-O 2.78Å; M1-V17 PolarHBondContact O-N 2.93Å; C3-V17 VanDerWaalsContact SG-CG2 3.52Å; V17-A21 HydrophobicContact CB-CB 3.81Å; V17-A21 HydrophobicContact CG2-CB 4.01Å; V17-L26 HydrophobicContact CG1-CB 4.42Å; V17-L26 HydrophobicContact CG1-CD1 3.92Å; V17-I62 HydrophobicContact CG2-CD1 4.31Å; V17-W71 HydrophobicContact CG2-CE3 4.42Å; V17-W71 HydrophobicContact CG2-CZ3 4.01Å | ||
| 18 | E | 93.7 | Very high | 94.9 | Very high | 143 Ų | 143 | 60.6 Ų | 60.6 | 67% | 0.668 | 30% | 0.3 | S | S | * | . | trans | -62.8 | 155.3 | 175.4 | -64.5 | -175.2 | -177 | 0 | 0 | 112.3 | H20 A21 | E18-H20 PolarHBondContact O-N 3.37Å; E18-H20 VanDerWaalsContact O-N 3.11Å; E18-A21 HydrophobicContact CB-CB 4.4Å; E18-A21 VanDerWaalsContact O-CB 3.28Å; E18-A21 WeakPolarHBondContact O-CB 3.45Å; E18-A21 PolarHBondContact O-N 3.26Å; E18-A21 VanDerWaalsContact O-N 3.08Å | ||
| 19 | K | 90.1 | Very high | 95 | Very high | 139 Ų | 139 | 64.4 Ų | 64.4 | 60% | 0.604 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -27.7 | -179.9 | -176.5 | 179.3 | -178.7 | 179.7 | 0 | 113.3 | K63 | K19-K63 HydrophobicContact CG-CD 4.44Å; K19-K63 VanDerWaalsContact O-CD 3.29Å; K19-K63 WeakPolarHBondContact O-CD 3.38Å; K19-K63 WeakPolarHBondContact O-CE 3.48Å |
| 20 | H | 94.3 | Very high | 95.3 | Very high | 111 Ų | 111 | 63.5 Ų | 63.5 | 51% | 0.514 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.4 | 12.2 | -178.4 | -65.7 | -94.2 | 0 | 0 | 0 | 112.9 | E18 K22 E61 K63 | E18-H20 PolarHBondContact O-N 3.37Å; E18-H20 VanDerWaalsContact O-N 3.11Å; H20-K22 PolarHBondContact O-N 2.96Å; H20-E61 IonicContact ND1-OE2 2.96Å; H20-K63 PolarHBondContact CE1-NZ 2.77Å; H20-K63 PolarHBondContact ND1-NZ 2.82Å; H20-K63 VanDerWaalsContact ND1-NZ 3.12Å; H20-K63 PolarHBondContact NE2-NZ 3.24Å |
| 21 | A | 96.1 | Very high | 95.6 | Very high | 8 Ų | 8 | 57.3 Ų | 57.3 | 7% | 0.066 | 28% | 0.276 | C | S | . | . | trans | -57.4 | 136.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | V17 E18 D25 E61 I62 | V17-A21 HydrophobicContact CB-CB 3.81Å; V17-A21 HydrophobicContact CG2-CB 4.01Å; E18-A21 HydrophobicContact CB-CB 4.4Å; E18-A21 VanDerWaalsContact O-CB 3.28Å; E18-A21 WeakPolarHBondContact O-CB 3.45Å; E18-A21 PolarHBondContact O-N 3.26Å; E18-A21 VanDerWaalsContact O-N 3.08Å; A21-D25 WeakPolarHBondContact CA-OD2 3.49Å; A21-D25 HydrophobicContact CB-CB 4.33Å; A21-E61 WeakPolarHBondContact O-CA 3.5Å; A21-I62 HydrophobicContact CB-CD1 4.39Å; A21-I62 PolarHBondContact O-N 2.9Å | ||
| 22 | K | 96.1 | Very high | 95.7 | Very high | 104 Ų | 104 | 61 Ų | 61 | 45% | 0.452 | 29% | 0.291 | S | S | . | . | B | Isolated β-bridge | trans | -84.7 | 164.4 | 172.5 | -65.1 | 178.3 | -179.7 | 173.3 | 0 | 110.6 | H20 Q24 D25 K60 | H20-K22 PolarHBondContact O-N 2.96Å; K22-Q24 PolarHBondContact O-N 3.09Å; K22-D25 PolarHBondContact N-OD2 3.03Å; K22-D25 PolarHBondContact O-N 3.41Å; K22-D25 VanDerWaalsContact O-N 3.12Å; K22-K60 CarbonylContact C-O 3.52Å; K22-K60 VanDerWaalsContact CA-O 3.3Å; K22-K60 WeakPolarHBondContact CA-O 3.17Å |
| 23 | G | 95.1 | Very high | 95.7 | Very high | 1 Ų | 1 | 62.8 Ų | 62.8 | 1% | 0.01 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -56.5 | -38 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | D25 L26 L27 S58 K60 | G23-D25 VanDerWaalsContact C-N 3.3Å; G23-D25 PolarHBondContact O-N 3.47Å; G23-L26 PolarHBondContact O-N 3.12Å; G23-L27 PolarHBondContact O-N 3.44Å; G23-S58 PolarHBondContact N-O 3.36Å; G23-K60 PolarHBondContact N-O 2.96Å |
| 24 | Q | 95.4 | Very high | 95.6 | Very high | 65 Ų | 65 | 61.3 Ų | 61.3 | 30% | 0.304 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -59.6 | -39.1 | 176.5 | -169.1 | 73.1 | 24.5 | 0 | 0 | 112 | K22 L26 L27 K28 S58 | K22-Q24 PolarHBondContact O-N 3.09Å; Q24-L26 VanDerWaalsContact C-N 3.32Å; Q24-L26 PolarHBondContact O-N 3.07Å; Q24-L27 PolarHBondContact O-N 3.11Å; Q24-K28 VanDerWaalsContact O-CB 3.32Å; Q24-K28 WeakPolarHBondContact O-CB 3.47Å; Q24-K28 PolarHBondContact O-N 3.08Å; Q24-S58 PolarHBondContact N-O 2.72Å; Q24-S58 VanDerWaalsContact OE1-CB 3.29Å |
| 25 | D | 96.1 | Very high | 95.5 | Very high | 74 Ų | 74 | 59.9 Ų | 59.9 | 40% | 0.396 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -65.3 | -38.2 | -176.9 | -53 | -34.6 | 0 | 0 | 0 | 111.2 | A21 K22 G23 R29 | A21-D25 WeakPolarHBondContact CA-OD2 3.49Å; A21-D25 HydrophobicContact CB-CB 4.33Å; K22-D25 PolarHBondContact N-OD2 3.03Å; K22-D25 PolarHBondContact O-N 3.41Å; K22-D25 VanDerWaalsContact O-N 3.12Å; G23-D25 VanDerWaalsContact C-N 3.3Å; G23-D25 PolarHBondContact O-N 3.47Å; D25-R29 WeakPolarHBondContact O-CG 3.49Å; D25-R29 PolarHBondContact O-N 2.99Å |
| 26 | L | 97.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -72.8 | -44.1 | 175.1 | 178.9 | 61.3 | 0 | 0 | 0 | 111.5 | C3 V5 C15 V17 G23 Q24 K28 R29 V30 L44 I62 F73 | C3-L26 HydrophobicContact CB-CD1 4.04Å; C3-L26 HydrophobicContact CB-CD2 4.27Å; V5-L26 HydrophobicContact CG2-CD1 4.37Å; C15-L26 VanDerWaalsContact SG-CD1 3.52Å; V17-L26 HydrophobicContact CG1-CB 4.42Å; V17-L26 HydrophobicContact CG1-CD1 3.92Å; G23-L26 PolarHBondContact O-N 3.12Å; Q24-L26 VanDerWaalsContact C-N 3.32Å; Q24-L26 PolarHBondContact O-N 3.07Å; L26-K28 VanDerWaalsContact C-N 3.31Å; L26-K28 PolarHBondContact O-N 2.78Å; L26-R29 PolarHBondContact O-N 3.37Å; L26-V30 WeakPolarHBondContact O-CG2 3.47Å; L26-V30 PolarHBondContact O-N 2.75Å; L26-V30 VanDerWaalsContact O-N 3.09Å; L26-L44 HydrophobicContact CB-CD1 4.08Å; L26-L44 HydrophobicContact CD2-CD1 3.7Å; L26-L44 HydrophobicContact CG-CD1 3.6Å; L26-I62 HydrophobicContact CB-CD1 3.75Å; L26-I62 HydrophobicContact CD2-CD1 4.01Å; L26-F73 HydrophobicContact CD2-CD2 3.62Å; L26-F73 HydrophobicContact CD2-CE2 3.52Å; L26-F73 HydrophobicContact CD2-CG 4.39Å; L26-F73 HydrophobicContact CD2-CZ 4.24Å |
| 27 | L | 97.4 | Very high | 95.4 | Very high | 11 Ų | 11 | 58.7 Ų | 58.7 | 6% | 0.058 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -58.1 | -45.7 | 177.5 | 177.3 | 62.1 | 0 | 0 | 0 | 111 | G23 Q24 R29 V30 C31 L44 F75 | G23-L27 PolarHBondContact O-N 3.44Å; Q24-L27 PolarHBondContact O-N 3.11Å; L27-R29 VanDerWaalsContact C-N 3.34Å; L27-R29 PolarHBondContact O-N 3.05Å; L27-V30 WeakPolarHBondContact O-CB 3.33Å; L27-V30 PolarHBondContact O-N 3.13Å; L27-V30 VanDerWaalsContact O-N 3.09Å; L27-C31 PolarHBondContact O-N 2.83Å; L27-C31 PolarHBondContact O-SG 2.76Å; L27-C31 VanDerWaalsContact O-SG 3.37Å; L27-L44 HydrophobicContact CB-CD1 4.18Å; L27-L44 HydrophobicContact CB-CG 4.44Å; L27-L44 HydrophobicContact CD1-CG 4.15Å; L27-F75 HydrophobicContact CD1-CD2 4.21Å; L27-F75 HydrophobicContact CD1-CE2 3.84Å |
| 28 | K | 96.5 | Very high | 95.5 | Very high | 105 Ų | 105 | 58.6 Ų | 58.6 | 46% | 0.457 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -57.9 | -44.9 | 178.2 | -165.7 | -170.8 | -176.2 | -126.7 | 0 | 111.9 | Q24 L26 V30 C31 E32 | Q24-K28 VanDerWaalsContact O-CB 3.32Å; Q24-K28 WeakPolarHBondContact O-CB 3.47Å; Q24-K28 PolarHBondContact O-N 3.08Å; L26-K28 VanDerWaalsContact C-N 3.31Å; L26-K28 PolarHBondContact O-N 2.78Å; K28-V30 VanDerWaalsContact C-N 3.3Å; K28-V30 PolarHBondContact O-N 3.39Å; K28-C31 PolarHBondContact O-N 2.98Å; K28-E32 WeakPolarHBondContact CE-OE1 3.35Å; K28-E32 HydrophobicContact CG-CG 4.42Å; K28-E32 IonicContact NZ-OE1 3.23Å; K28-E32 PolarHBondContact NZ-OE1 3.13Å; K28-E32 WeakPolarHBondContact O-CB 3.4Å; K28-E32 VanDerWaalsContact O-CG 3.26Å; K28-E32 WeakPolarHBondContact O-CG 3.28Å; K28-E32 PolarHBondContact O-N 2.89Å |
| 29 | R | 97.7 | Very high | 95.6 | Very high | 85 Ų | 85 | 53.6 Ų | 53.6 | 32% | 0.321 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -62.5 | -36.6 | 176.3 | -73.1 | -176.9 | -175.6 | -166.8 | 2.2 | 113 | V16 D25 L26 L27 H33 | V16-R29 PolarHBondContact O-NH1 3Å; D25-R29 WeakPolarHBondContact O-CG 3.49Å; D25-R29 PolarHBondContact O-N 2.99Å; L26-R29 PolarHBondContact O-N 3.37Å; L27-R29 VanDerWaalsContact C-N 3.34Å; L27-R29 PolarHBondContact O-N 3.05Å; R29-H33 WeakPolarHBondContact O-CB 3.49Å; R29-H33 PolarHBondContact O-N 3.29Å |
| 30 | V | 97.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66.1 | -48.3 | 174.7 | 175.2 | 0 | 0 | 0 | 0 | 110 | V5 L7 Y13 L26 L27 K28 E32 H33 L34 L44 F75 | V5-V30 HydrophobicContact CB-CG2 4.31Å; V5-V30 HydrophobicContact CG1-CG2 4.17Å; V5-V30 HydrophobicContact CG2-CG2 3.95Å; L7-V30 HydrophobicContact CD2-CG1 3.78Å; Y13-V30 HydrophobicContact CD1-CG2 3.85Å; Y13-V30 HydrophobicContact CE1-CG2 4.16Å; L26-V30 WeakPolarHBondContact O-CG2 3.47Å; L26-V30 PolarHBondContact O-N 2.75Å; L26-V30 VanDerWaalsContact O-N 3.09Å; L27-V30 WeakPolarHBondContact O-CB 3.33Å; L27-V30 PolarHBondContact O-N 3.13Å; L27-V30 VanDerWaalsContact O-N 3.09Å; K28-V30 VanDerWaalsContact C-N 3.3Å; K28-V30 PolarHBondContact O-N 3.39Å; V30-E32 VanDerWaalsContact C-N 3.35Å; V30-E32 PolarHBondContact O-N 3.46Å; V30-H33 WeakPolarHBondContact O-CB 3.38Å; V30-H33 PolarHBondContact O-N 3.24Å; V30-L34 HydrophobicContact CG1-CD1 4.03Å; V30-L34 HydrophobicContact CG1-CG 4.4Å; V30-L34 WeakPolarHBondContact O-CG 3.5Å; V30-L34 PolarHBondContact O-N 2.72Å; V30-L44 HydrophobicContact CG2-CD2 4.41Å; V30-F75 HydrophobicContact CG1-CB 4.43Å; V30-F75 HydrophobicContact CG1-CD2 3.59Å; V30-F75 HydrophobicContact CG1-CE2 3.93Å; V30-F75 HydrophobicContact CG1-CG 4.04Å |
| 31 | C | 96.9 | Very high | 96 | Very high | 2 Ų | 2 | 42.7 Ų | 42.7 | 1% | 0.014 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.8 | -39.5 | 177.6 | -62.8 | 0 | 0 | 0 | 0 | 112.5 | L27 K28 L34 N35 L36 E39 | L27-C31 PolarHBondContact O-N 2.83Å; L27-C31 PolarHBondContact O-SG 2.76Å; L27-C31 VanDerWaalsContact O-SG 3.37Å; K28-C31 PolarHBondContact O-N 2.98Å; C31-L34 CarbonylContact O-C 3.58Å; C31-L34 PolarHBondContact O-N 3.18Å; C31-N35 WeakPolarHBondContact O-CA 3.25Å; C31-N35 PolarHBondContact O-N 3.1Å; C31-L36 HydrophobicContact CB-CB 4.37Å; C31-L36 PolarHBondContact O-N 2.73Å; C31-E39 HydrophobicContact CB-CB 4.17Å |
| 32 | E | 95.7 | Very high | 96.1 | Very high | 113 Ų | 113 | 42.7 Ų | 42.7 | 53% | 0.528 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -61.3 | -43.7 | 173.4 | -75.5 | 169.4 | 177.5 | 0 | 0 | 111.3 | K28 V30 N35 | K28-E32 WeakPolarHBondContact CE-OE1 3.35Å; K28-E32 HydrophobicContact CG-CG 4.42Å; K28-E32 IonicContact NZ-OE1 3.23Å; K28-E32 PolarHBondContact NZ-OE1 3.13Å; K28-E32 WeakPolarHBondContact O-CB 3.4Å; K28-E32 VanDerWaalsContact O-CG 3.26Å; K28-E32 WeakPolarHBondContact O-CG 3.28Å; K28-E32 PolarHBondContact O-N 2.89Å; V30-E32 VanDerWaalsContact C-N 3.35Å; V30-E32 PolarHBondContact O-N 3.46Å; E32-N35 PolarHBondContact O-N 3.41Å |
| 33 | H | 95.3 | Very high | 96.2 | Very high | 104 Ų | 104 | 38 Ų | 38 | 48% | 0.481 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -63.2 | -40.7 | 175.3 | 173.4 | 62 | 0 | 0 | 0 | 112.6 | Y13 R29 V30 N35 | Y13-H33 HydrophobicContact CD2-CB 3.99Å; Y13-H33 AromaticContact CD2-CD2 3.27Å; Y13-H33 WeakPolarHBondContact CD2-CD2 3.46Å; Y13-H33 AromaticContact CD2-CE1 3.9Å; Y13-H33 AromaticContact CD2-CG 3.42Å; Y13-H33 VanDerWaalsContact CD2-CG 3.42Å; Y13-H33 AromaticContact CD2-ND1 3.82Å; Y13-H33 AromaticContact CD2-NE2 3.57Å; Y13-H33 HydrophobicContact CE2-CB 3.66Å; Y13-H33 AromaticContact CE2-CD2 3.84Å; Y13-H33 AromaticContact CE2-CG 3.46Å; Y13-H33 VanDerWaalsContact CE2-CG 3.46Å; Y13-H33 AromaticContact CE2-ND1 3.76Å; Y13-H33 AromaticContact CG-CD2 3.81Å; R29-H33 WeakPolarHBondContact O-CB 3.49Å; R29-H33 PolarHBondContact O-N 3.29Å; V30-H33 WeakPolarHBondContact O-CB 3.38Å; V30-H33 PolarHBondContact O-N 3.24Å; H33-N35 VanDerWaalsContact C-N 3.25Å; H33-N35 PolarHBondContact O-N 3.46Å |
| 34 | L | 94.7 | Very high | 96.3 | Very high | 13 Ų | 13 | 38.1 Ų | 38.1 | 7% | 0.068 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -80.3 | -5.1 | 178.5 | -64.8 | -176.8 | 0 | 0 | 0 | 113.6 | L7 V30 C31 L36 F75 I91 Y95 | L7-L34 HydrophobicContact CD1-CD2 3.6Å; L7-L34 HydrophobicContact CD1-CG 4.46Å; L7-L34 HydrophobicContact CD2-CD1 4.26Å; V30-L34 HydrophobicContact CG1-CD1 4.03Å; V30-L34 HydrophobicContact CG1-CG 4.4Å; V30-L34 WeakPolarHBondContact O-CG 3.5Å; V30-L34 PolarHBondContact O-N 2.72Å; C31-L34 CarbonylContact O-C 3.58Å; C31-L34 PolarHBondContact O-N 3.18Å; L34-L36 VanDerWaalsContact C-N 3.26Å; L34-L36 HydrophobicContact CB-CD1 3.81Å; L34-L36 HydrophobicContact CB-CG 3.9Å; L34-L36 HydrophobicContact CD1-CD1 3.7Å; L34-L36 HydrophobicContact CG-CD1 4.44Å; L34-L36 PolarHBondContact O-N 3.3Å; L34-F75 HydrophobicContact CD1-CD1 3.92Å; L34-F75 HydrophobicContact CD1-CE1 3.58Å; L34-F75 HydrophobicContact CD1-CZ 3.91Å; L34-I91 WeakPolarHBondContact O-CD1 3.19Å; L34-Y95 HydrophobicContact CD1-CE1 3.89Å; L34-Y95 HydrophobicContact CD2-CE1 4.37Å; L34-Y95 WeakPolarHBondContact CD2-OH 3.11Å |
| 35 | N | 94.5 | Very high | 96.3 | Very high | 70 Ų | 70 | 35 Ų | 35 | 37% | 0.374 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.6 | 36 | -174.5 | -162.3 | 29.2 | 0 | 0 | 0 | 113.9 | C31 E32 H33 R317 P320 | C31-N35 WeakPolarHBondContact O-CA 3.25Å; C31-N35 PolarHBondContact O-N 3.1Å; E32-N35 PolarHBondContact O-N 3.41Å; H33-N35 VanDerWaalsContact C-N 3.25Å; H33-N35 PolarHBondContact O-N 3.46Å; N35-R317 VanDerWaalsContact CG-NH1 3.27Å; N35-R317 PolarHBondContact ND2-NH1 3.35Å; N35-R317 PolarHBondContact O-NH2 3.02Å; N35-R317 PolarHBondContact OD1-NH1 3.44Å; N35-P320 VanDerWaalsContact ND2-CB 3.31Å; N35-P320 WeakPolarHBondContact ND2-CB 3.35Å |
| 36 | L | 94.8 | Very high | 96.1 | Very high | 6 Ų | 6 | 33.2 Ų | 33.2 | 3% | 0.031 | 16% | 0.158 | C | C | . | . | trans | -95.1 | 121.7 | 179.9 | -74.8 | 170.5 | 0 | 0 | 0 | 111.3 | C31 L34 F42 F75 I91 Y95 | C31-L36 HydrophobicContact CB-CB 4.37Å; C31-L36 PolarHBondContact O-N 2.73Å; L34-L36 VanDerWaalsContact C-N 3.26Å; L34-L36 HydrophobicContact CB-CD1 3.81Å; L34-L36 HydrophobicContact CB-CG 3.9Å; L34-L36 HydrophobicContact CD1-CD1 3.7Å; L34-L36 HydrophobicContact CG-CD1 4.44Å; L34-L36 PolarHBondContact O-N 3.3Å; L36-F42 HydrophobicContact CD1-CD2 4.39Å; L36-F42 HydrophobicContact CD1-CE2 4.12Å; L36-F42 HydrophobicContact CD1-CZ 4.32Å; L36-F42 HydrophobicContact CD2-CE2 4.37Å; L36-F75 HydrophobicContact CD1-CE1 3.96Å; L36-F75 HydrophobicContact CD1-CZ 3.73Å; L36-I91 HydrophobicContact CD2-CB 4.34Å; L36-I91 HydrophobicContact CD2-CD1 4.42Å; L36-I91 HydrophobicContact CD2-CG1 3.88Å; L36-I91 HydrophobicContact CD2-CG2 3.88Å; L36-Y95 HydrophobicContact CD1-CD2 4.21Å; L36-Y95 HydrophobicContact CD1-CE2 4.48Å; L36-Y95 HydrophobicContact CD1-CG 4.38Å; L36-Y95 HydrophobicContact CD2-CD2 4.01Å; L36-Y95 HydrophobicContact CG-CD2 4.46Å | ||
| 37 | L | 94.8 | Very high | 95.7 | Very high | 75 Ų | 75 | 38.3 Ų | 38.3 | 39% | 0.393 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -95.4 | -28.7 | 175.8 | -60.3 | -179.6 | 0 | 0 | 0 | 113.7 | E39 E89 I315 R317 | L37-E39 PolarHBondContact O-N 2.88Å; L37-E89 WeakPolarHBondContact CB-OE2 3.37Å; L37-E89 PolarHBondContact N-OE2 2.89Å; L37-I315 HydrophobicContact CB-CD1 3.89Å; L37-I315 HydrophobicContact CB-CG1 4.48Å; L37-I315 HydrophobicContact CD1-CD1 4.05Å; L37-I315 HydrophobicContact CD1-CG1 3.97Å; L37-I315 HydrophobicContact CD1-CG2 3.78Å; L37-R317 VanDerWaalsContact CD1-NE 3.31Å |
| 38 | E | 95.4 | Very high | 94.9 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | trans | -81 | 50 | 176.1 | -60.1 | 179.4 | 100.4 | 0 | 0 | 111.4 | D40 Y41 T88 E89 T92 I315 | E38-D40 VanDerWaalsContact C-N 3.26Å; E38-D40 PolarHBondContact O-N 2.94Å; E38-Y41 HydrophobicContact CB-CD2 4.09Å; E38-Y41 HydrophobicContact CB-CE2 4.29Å; E38-T88 PolarHBondContact OE1-N 3.18Å; E38-T88 PolarHBondContact OE2-N 2.92Å; E38-E89 PolarHBondContact OE2-N 3.46Å; E38-T92 HydrophobicContact CB-CG2 3.89Å; E38-T92 WeakPolarHBondContact OE2-CB 3.5Å; E38-T92 PolarHBondContact OE2-OG1 2.82Å; E38-I315 HydrophobicContact CG-CD1 4.37Å | ||
| 39 | E | 95.4 | Very high | 94.1 | Very high | 39 Ų | 39 | 40.8 Ų | 40.8 | 18% | 0.182 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -63.2 | -24.6 | -169.4 | 61.7 | 173.2 | -156.1 | 0 | 0 | 114.8 | C31 L37 Y41 F42 | C31-E39 HydrophobicContact CB-CB 4.17Å; L37-E39 PolarHBondContact O-N 2.88Å; E39-Y41 PolarHBondContact O-N 2.83Å; E39-Y41 VanDerWaalsContact O-N 3.13Å; E39-F42 PolarHBondContact O-N 2.99Å |
| 40 | D | 96.1 | Very high | 93.1 | Very high | 16 Ų | 16 | 41.3 Ų | 41.3 | 9% | 0.086 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -66.5 | -18.9 | -172 | -60.1 | -85.2 | 0 | 0 | 0 | 113.4 | E38 F42 F79 F277 R303 T308 | E38-D40 VanDerWaalsContact C-N 3.26Å; E38-D40 PolarHBondContact O-N 2.94Å; D40-F42 PolarHBondContact O-N 2.81Å; D40-F79 VanDerWaalsContact O-CD2 3.23Å; D40-F79 WeakPolarHBondContact O-CD2 3.47Å; D40-F277 HydrophobicContact CB-CE2 3.92Å; D40-R303 WeakPolarHBondContact OD1-CB 3.21Å; D40-R303 PolarHBondContact OD1-N 2.8Å; D40-R303 IonicContact OD1-NE 2.73Å; D40-R303 IonicContact OD2-CZ 2.93Å; D40-R303 IonicContact OD2-NE 3.6Å; D40-R303 PolarHBondContact OD2-NE 2.87Å; D40-R303 IonicContact OD2-NH2 2.6Å; D40-R303 PolarHBondContact OD2-NH2 2.86Å; D40-T308 HydrophobicContact CB-CG2 4.12Å; D40-T308 WeakPolarHBondContact CB-OG1 3.34Å; D40-T308 PolarHBondContact OD2-OG1 3.14Å |
| 41 | Y | 97.5 | Very high | 92 | Very high | 5 Ų | 5 | 47.8 Ų | 47.8 | 2% | 0.02 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -75.4 | -14.5 | 175.9 | -66 | -72.9 | 0 | 0 | 0 | 112.9 | E38 E39 K78 F79 P81 L87 T92 F277 T308 | E38-Y41 HydrophobicContact CB-CD2 4.09Å; E38-Y41 HydrophobicContact CB-CE2 4.29Å; E39-Y41 PolarHBondContact O-N 2.83Å; E39-Y41 VanDerWaalsContact O-N 3.13Å; Y41-K78 PolarHBondContact O-N 3.25Å; Y41-F79 HydrophobicContact CD1-CB 4.31Å; Y41-F79 WeakPolarHBondContact CD1-O 3.4Å; Y41-F79 PolarHBondContact O-N 3.48Å; Y41-P81 HydrophobicContact CE1-CB 4.03Å; Y41-P81 HydrophobicContact CE1-CG 4.43Å; Y41-L87 HydrophobicContact CD2-CD2 3.83Å; Y41-L87 HydrophobicContact CE1-CD2 4.39Å; Y41-L87 HydrophobicContact CE2-CD2 3.33Å; Y41-T92 HydrophobicContact CD2-CG2 4.44Å; Y41-F277 HydrophobicContact CD1-CE1 4.03Å; Y41-F277 AromaticContact CD1-CZ 3.82Å; Y41-F277 HydrophobicContact CD1-CZ 3.82Å; Y41-F277 AromaticContact CE1-CE1 3.85Å; Y41-F277 HydrophobicContact CE1-CE1 3.85Å; Y41-F277 AromaticContact CE1-CZ 3.71Å; Y41-F277 HydrophobicContact CE1-CZ 3.71Å; Y41-T308 HydrophobicContact CD2-CG2 4.43Å; Y41-T308 HydrophobicContact CE2-CG2 3.83Å |
| 42 | F | 97.9 | Very high | 91.3 | Very high | 7 Ų | 7 | 49.4 Ų | 49.4 | 3% | 0.031 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 165.9 | -172.3 | -57.8 | -84.3 | 0 | 0 | 0 | 112.7 | L8 L36 E39 D40 F75 N76 V77 T92 | L8-F42 HydrophobicContact CD1-CE1 4.47Å; L36-F42 HydrophobicContact CD1-CD2 4.39Å; L36-F42 HydrophobicContact CD1-CE2 4.12Å; L36-F42 HydrophobicContact CD1-CZ 4.32Å; L36-F42 HydrophobicContact CD2-CE2 4.37Å; E39-F42 PolarHBondContact O-N 2.99Å; D40-F42 PolarHBondContact O-N 2.81Å; F42-F75 HydrophobicContact CB-CD2 4.47Å; F42-F75 HydrophobicContact CB-CE1 4.22Å; F42-F75 HydrophobicContact CB-CE2 3.53Å; F42-F75 HydrophobicContact CB-CZ 3.38Å; F42-F75 HydrophobicContact CD1-CD1 4.43Å; F42-F75 AromaticContact CD1-CE1 3.49Å; F42-F75 HydrophobicContact CD1-CE1 3.49Å; F42-F75 VanDerWaalsContact CD1-CE1 3.49Å; F42-F75 HydrophobicContact CD1-CE2 4.38Å; F42-F75 AromaticContact CD1-CZ 3.47Å; F42-F75 HydrophobicContact CD1-CZ 3.47Å; F42-F75 VanDerWaalsContact CD1-CZ 3.47Å; F42-F75 HydrophobicContact CD2-CZ 4.05Å; F42-F75 HydrophobicContact CE1-CE1 4.02Å; F42-F75 HydrophobicContact CE1-CZ 4.26Å; F42-F75 AromaticContact CG-CE1 3.91Å; F42-F75 HydrophobicContact CG-CE1 3.91Å; F42-F75 HydrophobicContact CG-CE2 4.06Å; F42-F75 AromaticContact CG-CZ 3.35Å; F42-F75 HydrophobicContact CG-CZ 3.35Å; F42-N76 CarbonylContact C-O 3.33Å; F42-N76 WeakPolarHBondContact CA-O 3.46Å; F42-V77 HydrophobicContact CD1-CG2 4.06Å; F42-V77 HydrophobicContact CE1-CG2 3.75Å; F42-T92 HydrophobicContact CE2-CG2 4.01Å; F42-T92 HydrophobicContact CZ-CG2 4.15Å |
| 43 | G | 97.3 | Very high | 91 | Very high | 5 Ų | 5 | 45.3 Ų | 45.3 | 5% | 0.052 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.6 | 167.1 | 174 | 0 | 0 | 0 | 0 | 0 | 112.5 | N76 | G43-N76 PolarHBondContact N-O 3.43Å; G43-N76 PolarHBondContact O-N 3.3Å |
| 44 | L | 97.5 | Very high | 90.9 | Very high | 5 Ų | 5 | 43 Ų | 43 | 3% | 0.026 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 135.6 | 173.4 | -62.2 | 175 | 0 | 0 | 0 | 110 | V5 L26 L27 V30 L56 F73 T74 F75 | V5-L44 HydrophobicContact CG1-CD2 3.72Å; L26-L44 HydrophobicContact CB-CD1 4.08Å; L26-L44 HydrophobicContact CD2-CD1 3.7Å; L26-L44 HydrophobicContact CG-CD1 3.6Å; L27-L44 HydrophobicContact CB-CD1 4.18Å; L27-L44 HydrophobicContact CB-CG 4.44Å; L27-L44 HydrophobicContact CD1-CG 4.15Å; V30-L44 HydrophobicContact CG2-CD2 4.41Å; L44-L56 HydrophobicContact CB-CB 4.09Å; L44-L56 HydrophobicContact CB-CD2 4.06Å; L44-L56 HydrophobicContact CD1-CD2 4.01Å; L44-L56 WeakPolarHBondContact O-CB 3.34Å; L44-L56 PolarHBondContact O-N 2.91Å; L44-F73 HydrophobicContact CB-CB 4.47Å; L44-F73 HydrophobicContact CD2-CB 4.48Å; L44-T74 CarbonylContact C-O 3.59Å; L44-T74 WeakPolarHBondContact CA-O 3.44Å; L44-F75 HydrophobicContact CD2-CB 4.26Å; L44-F75 HydrophobicContact CD2-CD2 4.06Å |
| 45 | A | 95.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 153.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | K53 T54 W55 F73 T74 | A45-K53 HydrophobicContact CB-CB 4.12Å; A45-K53 HydrophobicContact CB-CD 3.95Å; A45-K53 HydrophobicContact CB-CG 4.32Å; A45-T54 WeakPolarHBondContact CA-O 3.28Å; A45-W55 HydrophobicContact CB-CE3 3.97Å; A45-W55 HydrophobicContact CB-CZ3 4.15Å; A45-F73 WeakPolarHBondContact O-CA 3.44Å; A45-T74 PolarHBondContact N-O 2.82Å; A45-T74 PolarHBondContact O-N 2.92Å |
| 46 | L | 93 | Very high | 90.8 | Very high | 35 Ų | 35 | 41 Ų | 41 | 18% | 0.183 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 139.8 | 169.8 | -66.7 | 141.8 | 0 | 0 | 0 | 107.9 | K53 T54 V66 N72 F73 | L46-K53 CarbonylContact O-C 3.43Å; L46-K53 WeakPolarHBondContact O-CA 3.37Å; L46-T54 PolarHBondContact N-O 2.73Å; L46-T54 PolarHBondContact O-N 2.78Å; L46-V66 HydrophobicContact CD1-CG2 3.66Å; L46-V66 HydrophobicContact CD2-CG1 4.07Å; L46-V66 HydrophobicContact CD2-CG2 3.82Å; L46-V66 HydrophobicContact CG-CG2 4.34Å; L46-N72 WeakPolarHBondContact CD2-O 3.39Å; L46-F73 HydrophobicContact CD1-CE1 4.18Å; L46-F73 HydrophobicContact CD2-CD1 3.91Å; L46-F73 HydrophobicContact CD2-CE1 3.78Å; L46-F73 HydrophobicContact CG-CD1 3.93Å; L46-F73 HydrophobicContact CG-CE1 3.97Å |
| 47 | W | 87.4 | Confident | 90.7 | Very high | 107 Ų | 107 | 41.5 Ų | 41.5 | 41% | 0.405 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 117.8 | 177.9 | -66.6 | 78.7 | 0 | 0 | 0 | 109.9 | A50 K53 T74 | W47-A50 WeakPolarHBondContact CZ3-O 3.24Å; W47-K53 HydrophobicContact CD2-CB 4.06Å; W47-K53 HydrophobicContact CE3-CB 4.18Å; W47-K53 HydrophobicContact CZ2-CD 4.31Å; W47-K53 HydrophobicContact CZ3-CB 4.49Å; W47-T74 PolarHBondContact NE1-OG1 2.88Å |
| 48 | D | 81 | Confident | 90.6 | Very high | 111 Ų | 111 | 39.3 Ų | 39.3 | 59% | 0.594 | 23% | 0.228 | S | C | * | . | S | Bend | trans | -82.8 | -29 | 172.9 | -59.4 | -52.1 | 0 | 0 | 0 | 110.8 | S52 T54 | D48-S52 PolarHBondContact N-O 3.1Å; D48-T54 PolarHBondContact OD2-OG1 3.27Å |
| 49 | S | 80.8 | Confident | 90.4 | Very high | 57 Ų | 57 | 41.7 Ų | 41.7 | 40% | 0.399 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -155.1 | 177 | 175.1 | 71.8 | 0 | 0 | 0 | 0 | 109.5 | T51 S52 | S49-T51 PolarHBondContact O-N 2.87Å; S49-T51 PolarHBondContact OG-N 2.85Å; S49-S52 PolarHBondContact N-O 3.15Å; S49-S52 PolarHBondContact O-N 3.01Å; S49-S52 WeakPolarHBondContact OG-CB 3.21Å; S49-S52 PolarHBondContact OG-N 3.47Å; S49-S52 VanDerWaalsContact OG-N 3.1Å |
| 50 | A | 76.8 | Confident | 90.3 | Very high | 97 Ų | 97 | 44.4 Ų | 44.4 | 80% | 0.802 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -57.6 | -19.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | W47 | W47-A50 WeakPolarHBondContact CZ3-O 3.24Š|
| 51 | T | 74.3 | Confident | 90.3 | Very high | 135 Ų | 135 | 45.5 Ų | 45.5 | 83% | 0.828 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -125.8 | -8.8 | -176.4 | 55.8 | 0 | 0 | 0 | 0 | 113.7 | S49 | S49-T51 PolarHBondContact O-N 2.87Å; S49-T51 PolarHBondContact OG-N 2.85Å |
| 52 | S | 82.3 | Confident | 90.2 | Very high | 36 Ų | 36 | 45.3 Ų | 45.3 | 25% | 0.252 | 26% | 0.263 | S | S | . | . | trans | -113 | 109.8 | 178.4 | -178.7 | 0 | 0 | 0 | 0 | 110.4 | D48 S49 K266 | D48-S52 PolarHBondContact N-O 3.1Å; S49-S52 PolarHBondContact N-O 3.15Å; S49-S52 PolarHBondContact O-N 3.01Å; S49-S52 WeakPolarHBondContact OG-CB 3.21Å; S49-S52 PolarHBondContact OG-N 3.47Å; S49-S52 VanDerWaalsContact OG-N 3.1Å; S52-K266 PolarHBondContact OG-NZ 3.46Å | ||
| 53 | K | 89.6 | Confident | 90 | Very high | 28 Ų | 28 | 48.3 Ų | 48.3 | 12% | 0.122 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 148.7 | 167.6 | 72.5 | -178.8 | 178.5 | 178.7 | 0 | 112.2 | A45 L46 W47 W55 K266 | A45-K53 HydrophobicContact CB-CB 4.12Å; A45-K53 HydrophobicContact CB-CD 3.95Å; A45-K53 HydrophobicContact CB-CG 4.32Å; L46-K53 CarbonylContact O-C 3.43Å; L46-K53 WeakPolarHBondContact O-CA 3.37Å; W47-K53 HydrophobicContact CD2-CB 4.06Å; W47-K53 HydrophobicContact CE3-CB 4.18Å; W47-K53 HydrophobicContact CZ2-CD 4.31Å; W47-K53 HydrophobicContact CZ3-CB 4.49Å; K53-W55 HydrophobicContact CD-CZ2 4.44Å; K53-W55 VanDerWaalsContact CE-CZ2 3.46Å; K53-K266 WeakPolarHBondContact O-CE 3.29Å; K53-K266 PolarHBondContact O-NZ 3.27Å |
| 54 | T | 91.3 | Very high | 89.8 | Confident | 55 Ų | 55 | 55.2 Ų | 55.2 | 34% | 0.337 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 124.8 | 172.4 | -68.9 | 0 | 0 | 0 | 0 | 108.6 | A45 L46 D48 | A45-T54 WeakPolarHBondContact CA-O 3.28Å; L46-T54 PolarHBondContact N-O 2.73Å; L46-T54 PolarHBondContact O-N 2.78Å; D48-T54 PolarHBondContact OD2-OG1 3.27Å |
| 55 | W | 94.1 | Very high | 89.5 | Confident | 34 Ų | 34 | 57.8 Ų | 57.8 | 13% | 0.129 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 136.1 | 177.7 | -64.2 | 109.1 | 0 | 0 | 0 | 111.6 | A45 K53 D57 N76 V77 K78 | A45-W55 HydrophobicContact CB-CE3 3.97Å; A45-W55 HydrophobicContact CB-CZ3 4.15Å; K53-W55 HydrophobicContact CD-CZ2 4.44Å; K53-W55 VanDerWaalsContact CE-CZ2 3.46Å; W55-D57 PolarHBondContact O-N 2.7Å; W55-N76 HydrophobicContact CH2-CB 3.75Å; W55-N76 HydrophobicContact CZ3-CB 3.99Å; W55-V77 WeakPolarHBondContact CH2-O 3.32Å; W55-K78 HydrophobicContact CD2-CD 4.05Å; W55-K78 HydrophobicContact CD2-CG 4.13Å; W55-K78 HydrophobicContact CE3-CB 4.42Å; W55-K78 HydrophobicContact CE3-CD 4.1Å; W55-K78 HydrophobicContact CE3-CG 4.28Å; W55-K78 HydrophobicContact CG-CD 4.48Å; W55-K78 VanDerWaalsContact CH2-CA 3.49Å; W55-K78 HydrophobicContact CH2-CB 3.59Å; W55-K78 HydrophobicContact CH2-CG 3.95Å; W55-K78 HydrophobicContact CZ2-CB 3.9Å; W55-K78 HydrophobicContact CZ2-CG 3.79Å; W55-K78 HydrophobicContact CZ3-CB 3.88Å; W55-K78 HydrophobicContact CZ3-CD 4.39Å; W55-K78 HydrophobicContact CZ3-CG 4.19Å |
| 56 | L | 94.6 | Very high | 89.3 | Confident | 8 Ų | 8 | 58.6 Ų | 58.6 | 4% | 0.042 | 32% | 0.321 | C | S | . | . | trans | -66.5 | 128 | 168.9 | -173.4 | 66.4 | 0 | 0 | 0 | 109 | L44 S58 I62 Q65 F73 | L44-L56 HydrophobicContact CB-CB 4.09Å; L44-L56 HydrophobicContact CB-CD2 4.06Å; L44-L56 HydrophobicContact CD1-CD2 4.01Å; L44-L56 WeakPolarHBondContact O-CB 3.34Å; L44-L56 PolarHBondContact O-N 2.91Å; L56-S58 PolarHBondContact O-N 2.83Å; L56-I62 HydrophobicContact CD2-CG1 4.4Å; L56-Q65 HydrophobicContact CD1-CB 4.13Å; L56-Q65 HydrophobicContact CD1-CG 4.48Å; L56-F73 HydrophobicContact CD1-CE1 4Å; L56-F73 HydrophobicContact CD2-CD1 4.35Å; L56-F73 HydrophobicContact CD2-CE1 3.98Å; L56-F73 HydrophobicContact CD2-CZ 4.41Å; L56-F73 HydrophobicContact CG-CE1 4.48Å | ||
| 57 | D | 92.9 | Very high | 88.9 | Confident | 15 Ų | 15 | 68.7 Ų | 68.7 | 8% | 0.08 | 36% | 0.357 | C | S | . | . | trans | -77.4 | 110.1 | 177.3 | -170.4 | -39.3 | 0 | 0 | 0 | 108.8 | W55 A59 K60 Q65 | W55-D57 PolarHBondContact O-N 2.7Å; D57-A59 PolarHBondContact O-N 2.74Å; D57-A59 PolarHBondContact OD1-N 3.01Å; D57-K60 HydrophobicContact CB-CB 4.24Å; D57-K60 HydrophobicContact CB-CD 4.14Å; D57-K60 HydrophobicContact CB-CG 4.35Å; D57-K60 PolarHBondContact O-N 2.84Å; D57-K60 VanDerWaalsContact O-N 3.15Å; D57-K60 WeakPolarHBondContact OD2-CD 3.35Å; D57-K60 WeakPolarHBondContact OD2-CE 3.16Å; D57-K60 IonicContact OD2-NZ 3.78Å; D57-K60 PolarHBondContact OD2-NZ 3.32Å; D57-Q65 PolarHBondContact O-NE2 2.99Å | ||
| 58 | S | 92.3 | Very high | 88.6 | Confident | 30 Ų | 30 | 66.3 Ų | 66.3 | 21% | 0.21 | 37% | 0.365 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -31 | -174 | -54.5 | 0 | 0 | 0 | 0 | 113.4 | G23 Q24 L56 K60 | G23-S58 PolarHBondContact N-O 3.36Å; Q24-S58 PolarHBondContact N-O 2.72Å; Q24-S58 VanDerWaalsContact OE1-CB 3.29Å; L56-S58 PolarHBondContact O-N 2.83Å; S58-K60 VanDerWaalsContact C-N 3.34Å; S58-K60 PolarHBondContact O-N 3.12Å |
| 59 | A | 91.2 | Very high | 88.5 | Confident | 51 Ų | 51 | 65.8 Ų | 65.8 | 42% | 0.421 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -10.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | D57 | D57-A59 PolarHBondContact O-N 2.74Å; D57-A59 PolarHBondContact OD1-N 3.01Å |
| 60 | K | 93.4 | Very high | 88.7 | Confident | 95 Ų | 95 | 66.3 Ų | 66.3 | 41% | 0.413 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -107.2 | 149 | -174.3 | -71.9 | -178.3 | -176.1 | 136.4 | 0 | 112.6 | K22 G23 D57 S58 I62 Q65 | K22-K60 CarbonylContact C-O 3.52Å; K22-K60 VanDerWaalsContact CA-O 3.3Å; K22-K60 WeakPolarHBondContact CA-O 3.17Å; G23-K60 PolarHBondContact N-O 2.96Å; D57-K60 HydrophobicContact CB-CB 4.24Å; D57-K60 HydrophobicContact CB-CD 4.14Å; D57-K60 HydrophobicContact CB-CG 4.35Å; D57-K60 PolarHBondContact O-N 2.84Å; D57-K60 VanDerWaalsContact O-N 3.15Å; D57-K60 WeakPolarHBondContact OD2-CD 3.35Å; D57-K60 WeakPolarHBondContact OD2-CE 3.16Å; D57-K60 IonicContact OD2-NZ 3.78Å; D57-K60 PolarHBondContact OD2-NZ 3.32Å; S58-K60 VanDerWaalsContact C-N 3.34Å; S58-K60 PolarHBondContact O-N 3.12Å; K60-I62 PolarHBondContact O-N 2.74Å; K60-Q65 HydrophobicContact CB-CG 4.24Å; K60-Q65 PolarHBondContact O-NE2 3.48Å |
| 61 | E | 95.3 | Very high | 89.4 | Confident | 40 Ų | 40 | 62 Ų | 62 | 19% | 0.187 | 33% | 0.331 | C | S | . | . | B | Isolated β-bridge | trans | -57.1 | 133.3 | 172.5 | -66.7 | 170.9 | -139.3 | 0 | 0 | 111.2 | H20 A21 K63 K64 | H20-E61 IonicContact ND1-OE2 2.96Å; A21-E61 WeakPolarHBondContact O-CA 3.5Å; E61-K63 HydrophobicContact CB-CG 4.33Å; E61-K63 PolarHBondContact O-N 2.85Å; E61-K63 WeakPolarHBondContact OE2-CE 3.44Å; E61-K63 IonicContact OE2-NZ 3.52Å; E61-K64 HydrophobicContact CB-CB 4.48Å; E61-K64 HydrophobicContact CB-CD 4.09Å; E61-K64 HydrophobicContact CB-CG 4.14Å; E61-K64 VanDerWaalsContact CD-NZ 3.28Å; E61-K64 PolarHBondContact O-N 2.93Å; E61-K64 VanDerWaalsContact O-N 3.13Å; E61-K64 IonicContact OE1-NZ 3.74Å; E61-K64 PolarHBondContact OE1-NZ 2.93Å; E61-K64 WeakPolarHBondContact OE2-CE 3.31Å; E61-K64 IonicContact OE2-NZ 3.85Å; E61-K64 PolarHBondContact OE2-NZ 3.46Å |
| 62 | I | 95.1 | Very high | 90.3 | Very high | 1 Ų | 1 | 59.8 Ų | 59.8 | 1% | 0.005 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -61.5 | -43.6 | -175.7 | -61.1 | 169.8 | 0 | 0 | 0 | 111.2 | V17 A21 L26 L56 K60 K64 Q65 V66 W71 F73 | V17-I62 HydrophobicContact CG2-CD1 4.31Å; A21-I62 HydrophobicContact CB-CD1 4.39Å; A21-I62 PolarHBondContact O-N 2.9Å; L26-I62 HydrophobicContact CB-CD1 3.75Å; L26-I62 HydrophobicContact CD2-CD1 4.01Å; L56-I62 HydrophobicContact CD2-CG1 4.4Å; K60-I62 PolarHBondContact O-N 2.74Å; I62-K64 PolarHBondContact O-N 3.02Å; I62-Q65 WeakPolarHBondContact O-CB 3.47Å; I62-Q65 PolarHBondContact O-N 3.34Å; I62-V66 HydrophobicContact CG2-CG2 4.26Å; I62-V66 PolarHBondContact O-N 3.15Å; I62-W71 HydrophobicContact CB-CE3 4.1Å; I62-W71 HydrophobicContact CB-CH2 4.28Å; I62-W71 HydrophobicContact CB-CZ3 3.79Å; I62-W71 HydrophobicContact CG2-CD2 3.79Å; I62-W71 HydrophobicContact CG2-CE3 3.34Å; I62-W71 HydrophobicContact CG2-CG 4.49Å; I62-W71 HydrophobicContact CG2-CH2 4.17Å; I62-W71 HydrophobicContact CG2-CZ3 3.55Å; I62-F73 HydrophobicContact CG2-CE2 4.4Å; I62-F73 HydrophobicContact CG2-CZ 3.66Å |
| 63 | K | 93.7 | Very high | 91 | Very high | 69 Ų | 69 | 58.3 Ų | 58.3 | 30% | 0.3 | 30% | 0.303 | S | S | . | . | G | 310 helix | trans | -59.7 | -20.3 | 178.5 | 66.3 | 172.3 | 173.7 | -171.5 | 0 | 114.9 | K19 H20 E61 Q65 W71 | K19-K63 HydrophobicContact CG-CD 4.44Å; K19-K63 VanDerWaalsContact O-CD 3.29Å; K19-K63 WeakPolarHBondContact O-CD 3.38Å; K19-K63 WeakPolarHBondContact O-CE 3.48Å; H20-K63 PolarHBondContact CE1-NZ 2.77Å; H20-K63 PolarHBondContact ND1-NZ 2.82Å; H20-K63 VanDerWaalsContact ND1-NZ 3.12Å; H20-K63 PolarHBondContact NE2-NZ 3.24Å; E61-K63 HydrophobicContact CB-CG 4.33Å; E61-K63 PolarHBondContact O-N 2.85Å; E61-K63 WeakPolarHBondContact OE2-CE 3.44Å; E61-K63 IonicContact OE2-NZ 3.52Å; K63-Q65 VanDerWaalsContact C-N 3.33Å; K63-W71 HydrophobicContact CB-CH2 3.72Å; K63-W71 HydrophobicContact CB-CZ2 3.64Å |
| 64 | K | 93.4 | Very high | 91.3 | Very high | 150 Ų | 150 | 58.3 Ų | 58.3 | 65% | 0.652 | 31% | 0.305 | S | S | * | . | G | 310 helix | trans | -85.9 | -11.8 | 177.5 | -67.7 | 179.7 | 177.7 | 160.3 | 0 | 111.9 | E61 I62 | E61-K64 HydrophobicContact CB-CB 4.48Å; E61-K64 HydrophobicContact CB-CD 4.09Å; E61-K64 HydrophobicContact CB-CG 4.14Å; E61-K64 VanDerWaalsContact CD-NZ 3.28Å; E61-K64 PolarHBondContact O-N 2.93Å; E61-K64 VanDerWaalsContact O-N 3.13Å; E61-K64 IonicContact OE1-NZ 3.74Å; E61-K64 PolarHBondContact OE1-NZ 2.93Å; E61-K64 WeakPolarHBondContact OE2-CE 3.31Å; E61-K64 IonicContact OE2-NZ 3.85Å; E61-K64 PolarHBondContact OE2-NZ 3.46Å; I62-K64 PolarHBondContact O-N 3.02Å |
| 65 | Q | 91.8 | Very high | 91.7 | Very high | 59 Ų | 59 | 55.7 Ų | 55.7 | 28% | 0.276 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.5 | -33.7 | -175.4 | -56.6 | -173.2 | 71.5 | 0 | 0 | 111.8 | L56 D57 K60 I62 K63 | L56-Q65 HydrophobicContact CD1-CB 4.13Å; L56-Q65 HydrophobicContact CD1-CG 4.48Å; D57-Q65 PolarHBondContact O-NE2 2.99Å; K60-Q65 HydrophobicContact CB-CG 4.24Å; K60-Q65 PolarHBondContact O-NE2 3.48Å; I62-Q65 WeakPolarHBondContact O-CB 3.47Å; I62-Q65 PolarHBondContact O-N 3.34Å; K63-Q65 VanDerWaalsContact C-N 3.33Å |
| 66 | V | 90.2 | Very high | 91.8 | Very high | 18 Ų | 18 | 54.4 Ų | 54.4 | 11% | 0.109 | 29% | 0.285 | C | S | . | . | trans | -118.1 | 139.2 | -175.5 | -170.1 | 0 | 0 | 0 | 0 | 110.5 | L46 I62 W71 F73 | L46-V66 HydrophobicContact CD1-CG2 3.66Å; L46-V66 HydrophobicContact CD2-CG1 4.07Å; L46-V66 HydrophobicContact CD2-CG2 3.82Å; L46-V66 HydrophobicContact CG-CG2 4.34Å; I62-V66 HydrophobicContact CG2-CG2 4.26Å; I62-V66 PolarHBondContact O-N 3.15Å; V66-W71 HydrophobicContact CB-CG 4.36Å; V66-W71 HydrophobicContact CG1-CB 4.43Å; V66-W71 VanDerWaalsContact CG1-CD1 3.49Å; V66-W71 HydrophobicContact CG1-CG 4.07Å; V66-F73 HydrophobicContact CG2-CE1 3.73Å; V66-F73 HydrophobicContact CG2-CZ 3.85Å | ||
| 67 | R | 85.1 | Confident | 92 | Very high | 247 Ų | 247 | 54 Ų | 54 | 93% | 0.932 | 28% | 0.283 | S | S | * | . | trans | -106.1 | 151.3 | 175 | -62.6 | -177 | 179.6 | -172.1 | -1.5 | 110 | ||||
| 68 | G | 82.1 | Confident | 92.2 | Very high | 56 Ų | 56 | 54.1 Ų | 54.1 | 58% | 0.577 | 28% | 0.283 | S | S | * | . | S | Bend | trans | 80.1 | 175.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | W71 | G68-W71 PolarHBondContact O-NE1 3.2Š|
| 69 | V | 78.6 | Confident | 92.4 | Very high | 100 Ų | 100 | 52.8 Ų | 52.8 | 61% | 0.606 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -143.5 | 149.3 | 171.5 | -72 | 0 | 0 | 0 | 0 | 109.1 | M1 | M1-V69 HydrophobicContact CE-CG1 3.6Š|
| 70 | P | 83.8 | Confident | 92.8 | Very high | 68 Ų | 68 | 51.3 Ų | 51.3 | 44% | 0.442 | 26% | 0.257 | S | S | . | . | S | Bend | cis | -67 | 152.9 | -5.4 | 30.1 | -35.3 | 0 | 0 | 0 | 112.3 | H2 N72 | H2-P70 HydrophobicContact CB-CB 4.48Å; P70-N72 PolarHBondContact O-N 2.67Å |
| 71 | W | 92.2 | Very high | 92.9 | Very high | 7 Ų | 7 | 46.9 Ų | 46.9 | 3% | 0.027 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 115.6 | 174.1 | -65.7 | -28.3 | 0 | 0 | 0 | 109.8 | M1 H2 C3 K4 V17 I62 K63 V66 G68 F73 | M1-W71 HydrophobicContact CB-CE3 4.05Å; M1-W71 HydrophobicContact CB-CH2 3.73Å; M1-W71 HydrophobicContact CB-CZ2 4.42Å; M1-W71 HydrophobicContact CB-CZ3 3.52Å; M1-W71 HydrophobicContact CE-CH2 3.78Å; M1-W71 HydrophobicContact CE-CZ2 3.42Å; M1-W71 VanDerWaalsContact CE-CZ2 3.42Å; M1-W71 HydrophobicContact CG-CH2 3.65Å; M1-W71 HydrophobicContact CG-CZ2 4.3Å; M1-W71 HydrophobicContact CG-CZ3 3.96Å; H2-W71 PolarHBondContact O-N 3.31Å; H2-W71 VanDerWaalsContact O-N 3.07Å; C3-W71 CarbonylContact C-O 3.58Å; C3-W71 WeakPolarHBondContact CA-O 3.47Å; K4-W71 PolarHBondContact N-O 3.1Å; V17-W71 HydrophobicContact CG2-CE3 4.42Å; V17-W71 HydrophobicContact CG2-CZ3 4.01Å; I62-W71 HydrophobicContact CB-CE3 4.1Å; I62-W71 HydrophobicContact CB-CH2 4.28Å; I62-W71 HydrophobicContact CB-CZ3 3.79Å; I62-W71 HydrophobicContact CG2-CD2 3.79Å; I62-W71 HydrophobicContact CG2-CE3 3.34Å; I62-W71 HydrophobicContact CG2-CG 4.49Å; I62-W71 HydrophobicContact CG2-CH2 4.17Å; I62-W71 HydrophobicContact CG2-CZ3 3.55Å; K63-W71 HydrophobicContact CB-CH2 3.72Å; K63-W71 HydrophobicContact CB-CZ2 3.64Å; V66-W71 HydrophobicContact CB-CG 4.36Å; V66-W71 HydrophobicContact CG1-CB 4.43Å; V66-W71 VanDerWaalsContact CG1-CD1 3.49Å; V66-W71 HydrophobicContact CG1-CG 4.07Å; G68-W71 PolarHBondContact O-NE1 3.2Å; W71-F73 HydrophobicContact CB-CD2 4.43Å; W71-F73 HydrophobicContact CB-CE2 3.48Å; W71-F73 VanDerWaalsContact CB-CE2 3.48Å; W71-F73 HydrophobicContact CB-CZ 3.81Å; W71-F73 HydrophobicContact CG-CE2 4.49Å; W71-F73 HydrophobicContact CG-CZ 4.48Å |
| 72 | N | 93.7 | Very high | 92.9 | Very high | 88 Ų | 88 | 47.9 Ų | 47.9 | 47% | 0.471 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 131 | -178.9 | -59 | -43.1 | 0 | 0 | 0 | 110.4 | K4 L46 P70 | K4-N72 WeakPolarHBondContact CB-OD1 3.36Å; K4-N72 CarbonylContact O-C 3.51Å; K4-N72 WeakPolarHBondContact O-CA 3.41Å; L46-N72 WeakPolarHBondContact CD2-O 3.39Å; P70-N72 PolarHBondContact O-N 2.67Å |
| 73 | F | 96.6 | Very high | 92.8 | Very high | 6 Ų | 6 | 50 Ų | 50 | 3% | 0.026 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 161.6 | 177.8 | -56 | -80.9 | 0 | 0 | 0 | 110.5 | K4 V5 S6 L26 L44 A45 L46 L56 I62 V66 W71 | K4-F73 PolarHBondContact O-N 2.82Å; V5-F73 CarbonylContact C-O 3.57Å; V5-F73 WeakPolarHBondContact CA-O 3.5Å; V5-F73 HydrophobicContact CG1-CB 4.44Å; V5-F73 HydrophobicContact CG2-CB 4.33Å; V5-F73 HydrophobicContact CG2-CD2 4.44Å; S6-F73 PolarHBondContact N-O 3.32Å; L26-F73 HydrophobicContact CD2-CD2 3.62Å; L26-F73 HydrophobicContact CD2-CE2 3.52Å; L26-F73 HydrophobicContact CD2-CG 4.39Å; L26-F73 HydrophobicContact CD2-CZ 4.24Å; L44-F73 HydrophobicContact CB-CB 4.47Å; L44-F73 HydrophobicContact CD2-CB 4.48Å; A45-F73 WeakPolarHBondContact O-CA 3.44Å; L46-F73 HydrophobicContact CD1-CE1 4.18Å; L46-F73 HydrophobicContact CD2-CD1 3.91Å; L46-F73 HydrophobicContact CD2-CE1 3.78Å; L46-F73 HydrophobicContact CG-CD1 3.93Å; L46-F73 HydrophobicContact CG-CE1 3.97Å; L56-F73 HydrophobicContact CD1-CE1 4Å; L56-F73 HydrophobicContact CD2-CD1 4.35Å; L56-F73 HydrophobicContact CD2-CE1 3.98Å; L56-F73 HydrophobicContact CD2-CZ 4.41Å; L56-F73 HydrophobicContact CG-CE1 4.48Å; I62-F73 HydrophobicContact CG2-CE2 4.4Å; I62-F73 HydrophobicContact CG2-CZ 3.66Å; V66-F73 HydrophobicContact CG2-CE1 3.73Å; V66-F73 HydrophobicContact CG2-CZ 3.85Å; W71-F73 HydrophobicContact CB-CD2 4.43Å; W71-F73 HydrophobicContact CB-CE2 3.48Å; W71-F73 VanDerWaalsContact CB-CE2 3.48Å; W71-F73 HydrophobicContact CB-CZ 3.81Å; W71-F73 HydrophobicContact CG-CE2 4.49Å; W71-F73 HydrophobicContact CG-CZ 4.48Å |
| 74 | T | 97 | Very high | 92.8 | Very high | 27 Ų | 27 | 46.8 Ų | 46.8 | 17% | 0.166 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 139 | 163.7 | 59.7 | 0 | 0 | 0 | 0 | 109.9 | S6 L44 A45 W47 N76 | S6-T74 CarbonylContact O-C 3.58Å; S6-T74 WeakPolarHBondContact O-CA 3.3Å; L44-T74 CarbonylContact C-O 3.59Å; L44-T74 WeakPolarHBondContact CA-O 3.44Å; A45-T74 PolarHBondContact N-O 2.82Å; A45-T74 PolarHBondContact O-N 2.92Å; W47-T74 PolarHBondContact NE1-OG1 2.88Å; T74-N76 WeakPolarHBondContact CB-OD1 3.38Å; T74-N76 PolarHBondContact O-OD1 2.88Å; T74-N76 PolarHBondContact OG1-OD1 2.83Å |
| 75 | F | 98.1 | Very high | 92.7 | Very high | 1 Ų | 1 | 42 Ų | 42 | 0% | 0.004 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 128.3 | 169.1 | -176.4 | -105.1 | 0 | 0 | 0 | 108.8 | V5 S6 L7 L8 L27 V30 L34 L36 F42 L44 Y95 | V5-F75 HydrophobicContact CG1-CB 4.02Å; S6-F75 PolarHBondContact O-N 3.48Å; L7-F75 HydrophobicContact CD2-CB 3.8Å; L7-F75 HydrophobicContact CD2-CG 4.28Å; L8-F75 HydrophobicContact CD1-CD1 4.25Å; L8-F75 HydrophobicContact CD1-CE1 4.49Å; L8-F75 WeakPolarHBondContact CD2-O 3.48Å; L8-F75 HydrophobicContact CG-CD1 4.3Å; L8-F75 WeakPolarHBondContact CG-O 3.37Å; L27-F75 HydrophobicContact CD1-CD2 4.21Å; L27-F75 HydrophobicContact CD1-CE2 3.84Å; V30-F75 HydrophobicContact CG1-CB 4.43Å; V30-F75 HydrophobicContact CG1-CD2 3.59Å; V30-F75 HydrophobicContact CG1-CE2 3.93Å; V30-F75 HydrophobicContact CG1-CG 4.04Å; L34-F75 HydrophobicContact CD1-CD1 3.92Å; L34-F75 HydrophobicContact CD1-CE1 3.58Å; L34-F75 HydrophobicContact CD1-CZ 3.91Å; L36-F75 HydrophobicContact CD1-CE1 3.96Å; L36-F75 HydrophobicContact CD1-CZ 3.73Å; F42-F75 HydrophobicContact CB-CD2 4.47Å; F42-F75 HydrophobicContact CB-CE1 4.22Å; F42-F75 HydrophobicContact CB-CE2 3.53Å; F42-F75 HydrophobicContact CB-CZ 3.38Å; F42-F75 HydrophobicContact CD1-CD1 4.43Å; F42-F75 AromaticContact CD1-CE1 3.49Å; F42-F75 HydrophobicContact CD1-CE1 3.49Å; F42-F75 VanDerWaalsContact CD1-CE1 3.49Å; F42-F75 HydrophobicContact CD1-CE2 4.38Å; F42-F75 AromaticContact CD1-CZ 3.47Å; F42-F75 HydrophobicContact CD1-CZ 3.47Å; F42-F75 VanDerWaalsContact CD1-CZ 3.47Å; F42-F75 HydrophobicContact CD2-CZ 4.05Å; F42-F75 HydrophobicContact CE1-CE1 4.02Å; F42-F75 HydrophobicContact CE1-CZ 4.26Å; F42-F75 AromaticContact CG-CE1 3.91Å; F42-F75 HydrophobicContact CG-CE1 3.91Å; F42-F75 HydrophobicContact CG-CE2 4.06Å; F42-F75 AromaticContact CG-CZ 3.35Å; F42-F75 HydrophobicContact CG-CZ 3.35Å; L44-F75 HydrophobicContact CD2-CB 4.26Å; L44-F75 HydrophobicContact CD2-CD2 4.06Å; F75-Y95 HydrophobicContact CE1-CD1 4.23Å |
| 76 | N | 97.7 | Very high | 92.7 | Very high | 6 Ų | 6 | 43.2 Ų | 43.2 | 3% | 0.032 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 155.8 | -174.6 | -69 | 109.6 | 0 | 0 | 0 | 111.4 | F42 G43 W55 T74 K78 Q99 | F42-N76 CarbonylContact C-O 3.33Å; F42-N76 WeakPolarHBondContact CA-O 3.46Å; G43-N76 PolarHBondContact N-O 3.43Å; G43-N76 PolarHBondContact O-N 3.3Å; W55-N76 HydrophobicContact CH2-CB 3.75Å; W55-N76 HydrophobicContact CZ3-CB 3.99Å; T74-N76 WeakPolarHBondContact CB-OD1 3.38Å; T74-N76 PolarHBondContact O-OD1 2.88Å; T74-N76 PolarHBondContact OG1-OD1 2.83Å; N76-K78 PolarHBondContact O-N 2.7Å; N76-Q99 PolarHBondContact ND2-OE1 3.42Å |
| 77 | V | 97.9 | Very high | 92.9 | Very high | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.006 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 125.4 | 163.3 | -177.9 | 0 | 0 | 0 | 0 | 108 | L8 F42 W55 F79 Y80 L96 Q99 | L8-V77 HydrophobicContact CD1-CG2 4.3Å; F42-V77 HydrophobicContact CD1-CG2 4.06Å; F42-V77 HydrophobicContact CE1-CG2 3.75Å; W55-V77 WeakPolarHBondContact CH2-O 3.32Å; V77-F79 WeakPolarHBondContact CG1-O 3.34Å; V77-Y80 HydrophobicContact CB-CE2 4.24Å; V77-Y80 HydrophobicContact CG1-CD1 4.27Å; V77-Y80 HydrophobicContact CG1-CD2 3.92Å; V77-Y80 HydrophobicContact CG1-CE1 4.37Å; V77-Y80 HydrophobicContact CG1-CE2 3.99Å; V77-Y80 HydrophobicContact CG1-CG 4.08Å; V77-L96 HydrophobicContact CB-CD1 4.42Å; V77-L96 HydrophobicContact CG1-CD1 3.89Å; V77-L96 HydrophobicContact CG2-CD1 3.93Å; V77-Q99 HydrophobicContact CB-CB 4.18Å; V77-Q99 HydrophobicContact CB-CG 3.88Å; V77-Q99 HydrophobicContact CG2-CB 3.54Å; V77-Q99 HydrophobicContact CG2-CG 3.83Å |
| 78 | K | 96.8 | Very high | 93.3 | Very high | 17 Ų | 17 | 34.2 Ų | 34.2 | 7% | 0.074 | 21% | 0.211 | C | C | . | . | trans | -98.5 | -40.3 | 177.6 | -175.8 | 172.2 | -179.1 | 179.5 | 0 | 111.7 | Y41 W55 N76 E273 | Y41-K78 PolarHBondContact O-N 3.25Å; W55-K78 HydrophobicContact CD2-CD 4.05Å; W55-K78 HydrophobicContact CD2-CG 4.13Å; W55-K78 HydrophobicContact CE3-CB 4.42Å; W55-K78 HydrophobicContact CE3-CD 4.1Å; W55-K78 HydrophobicContact CE3-CG 4.28Å; W55-K78 HydrophobicContact CG-CD 4.48Å; W55-K78 VanDerWaalsContact CH2-CA 3.49Å; W55-K78 HydrophobicContact CH2-CB 3.59Å; W55-K78 HydrophobicContact CH2-CG 3.95Å; W55-K78 HydrophobicContact CZ2-CB 3.9Å; W55-K78 HydrophobicContact CZ2-CG 3.79Å; W55-K78 HydrophobicContact CZ3-CB 3.88Å; W55-K78 HydrophobicContact CZ3-CD 4.39Å; W55-K78 HydrophobicContact CZ3-CG 4.19Å; N76-K78 PolarHBondContact O-N 2.7Å; K78-E273 VanDerWaalsContact CE-OE2 3.24Å; K78-E273 WeakPolarHBondContact CE-OE2 3.06Å; K78-E273 IonicContact NZ-OE1 2.82Å; K78-E273 PolarHBondContact NZ-OE1 2.99Å; K78-E273 IonicContact NZ-OE2 2.72Å; K78-E273 PolarHBondContact NZ-OE2 3.1Å; K78-E273 VanDerWaalsContact NZ-OE2 3.14Å | ||
| 79 | F | 97.7 | Very high | 93.9 | Very high | 2 Ų | 2 | 32 Ų | 32 | 1% | 0.009 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -121.3 | 114.6 | -179.9 | -58.6 | -71.2 | 0 | 0 | 0 | 109.2 | D40 Y41 V77 P81 E273 H274 F277 F278 Y300 | D40-F79 VanDerWaalsContact O-CD2 3.23Å; D40-F79 WeakPolarHBondContact O-CD2 3.47Å; Y41-F79 HydrophobicContact CD1-CB 4.31Å; Y41-F79 WeakPolarHBondContact CD1-O 3.4Å; Y41-F79 PolarHBondContact O-N 3.48Å; V77-F79 WeakPolarHBondContact CG1-O 3.34Å; F79-P81 WeakPolarHBondContact O-CD 3.35Å; F79-E273 HydrophobicContact CE1-CB 4.13Å; F79-E273 HydrophobicContact CZ-CB 4.05Å; F79-H274 AromaticContact CE1-ND1 3.96Å; F79-F277 HydrophobicContact CB-CD1 3.67Å; F79-F277 HydrophobicContact CB-CE1 3.47Å; F79-F277 VanDerWaalsContact CB-CE1 3.47Å; F79-F277 HydrophobicContact CB-CG 4.41Å; F79-F277 HydrophobicContact CB-CZ 4.08Å; F79-F277 HydrophobicContact CD1-CB 4.02Å; F79-F277 AromaticContact CD1-CD1 3.79Å; F79-F277 HydrophobicContact CD1-CD1 3.79Å; F79-F277 HydrophobicContact CD1-CE1 4.46Å; F79-F277 AromaticContact CD1-CG 3.93Å; F79-F277 HydrophobicContact CD1-CG 3.93Å; F79-F277 HydrophobicContact CD2-CD1 4.1Å; F79-F277 HydrophobicContact CD2-CD2 4.02Å; F79-F277 HydrophobicContact CD2-CE1 4.21Å; F79-F277 HydrophobicContact CD2-CE2 4.15Å; F79-F277 AromaticContact CD2-CG 3.99Å; F79-F277 HydrophobicContact CD2-CG 3.99Å; F79-F277 HydrophobicContact CD2-CZ 4.23Å; F79-F277 HydrophobicContact CE1-CB 3.8Å; F79-F277 HydrophobicContact CE1-CD1 4.42Å; F79-F277 HydrophobicContact CE1-CG 4.11Å; F79-F277 HydrophobicContact CE2-CB 4.45Å; F79-F277 HydrophobicContact CE2-CD2 4.09Å; F79-F277 HydrophobicContact CE2-CG 4.16Å; F79-F277 HydrophobicContact CG-CB 4.43Å; F79-F277 AromaticContact CG-CD1 3.58Å; F79-F277 HydrophobicContact CG-CD1 3.58Å; F79-F277 HydrophobicContact CG-CD2 4.33Å; F79-F277 AromaticContact CG-CE1 3.82Å; F79-F277 HydrophobicContact CG-CE1 3.82Å; F79-F277 AromaticContact CG-CG 3.85Å; F79-F277 HydrophobicContact CG-CG 3.85Å; F79-F277 HydrophobicContact CG-CZ 4.3Å; F79-F277 HydrophobicContact CZ-CB 4.02Å; F79-F277 HydrophobicContact CZ-CD2 4.47Å; F79-F277 HydrophobicContact CZ-CG 4.21Å; F79-F278 HydrophobicContact CB-CE2 4.06Å; F79-F278 HydrophobicContact CB-CZ 3.73Å; F79-F278 AromaticContact CD1-CE2 3.89Å; F79-F278 HydrophobicContact CD1-CE2 3.89Å; F79-F278 HydrophobicContact CD1-CZ 4.43Å; F79-F278 HydrophobicContact CG-CE2 4.41Å; F79-Y300 AromaticContact CE2-CE2 3.96Å; F79-Y300 HydrophobicContact CE2-CE2 3.96Å; F79-Y300 HydrophobicContact CZ-CD2 4.46Å; F79-Y300 AromaticContact CZ-CE2 3.74Å; F79-Y300 HydrophobicContact CZ-CE2 3.74Å |
| 80 | Y | 97.9 | Very high | 94.6 | Very high | 20 Ų | 20 | 29.4 Ų | 29.4 | 8% | 0.078 | 17% | 0.169 | C | C | . | . | trans | -87 | 115.6 | 179.1 | -68.6 | -110 | 0 | 0 | 0 | 108.9 | V77 L96 Q99 L100 D103 Y187 F278 | V77-Y80 HydrophobicContact CB-CE2 4.24Å; V77-Y80 HydrophobicContact CG1-CD1 4.27Å; V77-Y80 HydrophobicContact CG1-CD2 3.92Å; V77-Y80 HydrophobicContact CG1-CE1 4.37Å; V77-Y80 HydrophobicContact CG1-CE2 3.99Å; V77-Y80 HydrophobicContact CG1-CG 4.08Å; Y80-L96 HydrophobicContact CD1-CD1 3.83Å; Y80-L96 HydrophobicContact CE1-CD1 4.23Å; Y80-Q99 HydrophobicContact CE1-CG 4.17Å; Y80-Q99 WeakPolarHBondContact OH-CG 3.45Å; Y80-L100 HydrophobicContact CD1-CD2 4.14Å; Y80-L100 HydrophobicContact CE1-CD2 3.8Å; Y80-L100 HydrophobicContact CE1-CG 4.37Å; Y80-D103 PolarHBondContact OH-OD2 3.15Å; Y80-Y187 HydrophobicContact CD1-CE2 4.22Å; Y80-F278 VanDerWaalsContact O-CZ 3.24Å; Y80-F278 WeakPolarHBondContact O-CZ 3.26Å | ||
| 81 | P | 96.1 | Very high | 95.1 | Very high | 2 Ų | 2 | 26.3 Ų | 26.3 | 1% | 0.013 | 15% | 0.149 | C | C | . | . | trans | -62.9 | 135.9 | -179.1 | 23.9 | -31 | 0 | 0 | 0 | 110.2 | Y41 F79 D83 P84 L87 L96 Y187 | Y41-P81 HydrophobicContact CE1-CB 4.03Å; Y41-P81 HydrophobicContact CE1-CG 4.43Å; F79-P81 WeakPolarHBondContact O-CD 3.35Å; P81-D83 PolarHBondContact O-N 3.15Å; P81-P84 HydrophobicContact CG-CB 4.45Å; P81-P84 HydrophobicContact CG-CG 4.43Å; P81-L87 HydrophobicContact CG-CD1 4.12Å; P81-L87 HydrophobicContact CG-CD2 4.28Å; P81-L87 HydrophobicContact CG-CG 4.27Å; P81-L96 HydrophobicContact CG-CD2 3.79Å; P81-Y187 WeakPolarHBondContact O-CE1 3.29Å; P81-Y187 PolarHBondContact O-OH 3.44Å | ||
| 82 | P | 94.6 | Very high | 95.3 | Very high | 61 Ų | 61 | 26.1 Ų | 26.1 | 40% | 0.396 | 15% | 0.148 | S | C | . | . | S | Bend | trans | -66.1 | -26 | 176.1 | 27.1 | -33.9 | 0 | 0 | 0 | 112.3 | ||
| 83 | D | 94.4 | Very high | 95.5 | Very high | 46 Ų | 46 | 23.2 Ų | 23.2 | 25% | 0.246 | 13% | 0.131 | C | C | . | . | trans | -131.2 | 92.2 | 176.1 | -169.8 | 24.8 | 0 | 0 | 0 | 109.9 | P81 A85 Q86 K182 | P81-D83 PolarHBondContact O-N 3.15Å; D83-A85 PolarHBondContact O-N 3.27Å; D83-Q86 HydrophobicContact CB-CG 4.24Å; D83-Q86 WeakPolarHBondContact O-CB 3.47Å; D83-Q86 PolarHBondContact O-N 3Å; D83-Q86 VanDerWaalsContact OD2-CD 3.27Å; D83-Q86 WeakPolarHBondContact OD2-CG 3.38Å; D83-Q86 PolarHBondContact OD2-NE2 3.4Å; D83-K182 IonicContact OD1-NZ 2.68Å; D83-K182 PolarHBondContact OD1-NZ 3.38Å | ||
| 84 | P | 93.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.13 | C | C | . | . | G | 310 helix | trans | -64.4 | -20.9 | -177.4 | -22.6 | 34.8 | 0 | 0 | 0 | 114.3 | P81 Q86 L87 L96 L178 K182 | P81-P84 HydrophobicContact CG-CB 4.45Å; P81-P84 HydrophobicContact CG-CG 4.43Å; P84-Q86 PolarHBondContact O-N 3Å; P84-Q86 VanDerWaalsContact O-N 3.17Å; P84-L87 WeakPolarHBondContact O-CB 3.27Å; P84-L87 WeakPolarHBondContact O-CG 3.39Å; P84-L87 PolarHBondContact O-N 3.48Å; P84-L87 VanDerWaalsContact O-N 3.08Å; P84-L96 HydrophobicContact CB-CD2 4.14Å; P84-L96 HydrophobicContact CG-CD2 4.32Å; P84-L178 HydrophobicContact CB-CB 3.8Å; P84-L178 HydrophobicContact CB-CD1 3.92Å; P84-L178 HydrophobicContact CB-CG 4.3Å; P84-L178 HydrophobicContact CG-CB 4.07Å; P84-K182 HydrophobicContact CG-CB 4.43Å; P84-K182 HydrophobicContact CG-CD 4.39Å |
| 85 | A | 91 | Very high | 95.5 | Very high | 51 Ų | 51 | 22.5 Ų | 22.5 | 42% | 0.421 | 13% | 0.125 | S | C | . | . | G | 310 helix | trans | -60.9 | -19.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | D83 L87 L175 | D83-A85 PolarHBondContact O-N 3.27Å; A85-L87 VanDerWaalsContact C-N 3.34Å; A85-L175 HydrophobicContact CB-CD1 4.17Å |
| 86 | Q | 91.1 | Very high | 95.5 | Very high | 84 Ų | 84 | 22.7 Ų | 22.7 | 39% | 0.393 | 13% | 0.126 | S | C | . | . | G | 310 helix | trans | -86.4 | -3.3 | 177.7 | -64.6 | 171.3 | -8.8 | 0 | 0 | 113.9 | D83 P84 | D83-Q86 HydrophobicContact CB-CG 4.24Å; D83-Q86 WeakPolarHBondContact O-CB 3.47Å; D83-Q86 PolarHBondContact O-N 3Å; D83-Q86 VanDerWaalsContact OD2-CD 3.27Å; D83-Q86 WeakPolarHBondContact OD2-CG 3.38Å; D83-Q86 PolarHBondContact OD2-NE2 3.4Å; P84-Q86 PolarHBondContact O-N 3Å; P84-Q86 VanDerWaalsContact O-N 3.17Å |
| 87 | L | 94.8 | Very high | 95.5 | Very high | 8 Ų | 8 | 22.4 Ų | 22.4 | 4% | 0.042 | 12% | 0.124 | C | C | . | . | trans | -65.5 | 141.2 | 167.6 | -65.5 | 174.4 | 0 | 0 | 0 | 108.6 | Y41 P81 P84 A85 T92 R93 L96 | Y41-L87 HydrophobicContact CD2-CD2 3.83Å; Y41-L87 HydrophobicContact CE1-CD2 4.39Å; Y41-L87 HydrophobicContact CE2-CD2 3.33Å; P81-L87 HydrophobicContact CG-CD1 4.12Å; P81-L87 HydrophobicContact CG-CD2 4.28Å; P81-L87 HydrophobicContact CG-CG 4.27Å; P84-L87 WeakPolarHBondContact O-CB 3.27Å; P84-L87 WeakPolarHBondContact O-CG 3.39Å; P84-L87 PolarHBondContact O-N 3.48Å; P84-L87 VanDerWaalsContact O-N 3.08Å; A85-L87 VanDerWaalsContact C-N 3.34Å; L87-T92 HydrophobicContact CD1-CG2 3.97Å; L87-T92 HydrophobicContact CD2-CG2 3.87Å; L87-T92 HydrophobicContact CG-CG2 4.38Å; L87-R93 HydrophobicContact CB-CG 4.16Å; L87-R93 HydrophobicContact CD1-CG 4.01Å; L87-R93 PolarHBondContact O-NH1 3.14Å; L87-L96 HydrophobicContact CD1-CD2 4.05Å | ||
| 88 | T | 93.8 | Very high | 95.5 | Very high | 67 Ų | 67 | 23 Ų | 23 | 41% | 0.411 | 13% | 0.127 | S | C | . | . | trans | -84.3 | -44.5 | -177 | -54.2 | 0 | 0 | 0 | 0 | 110.3 | E38 R93 S312 | E38-T88 PolarHBondContact OE1-N 3.18Å; E38-T88 PolarHBondContact OE2-N 2.92Å; T88-R93 PolarHBondContact O-NH2 3.22Å; T88-S312 WeakPolarHBondContact OG1-CB 3.47Å | ||
| 89 | E | 93.8 | Very high | 95.5 | Very high | 10 Ų | 10 | 22.1 Ų | 22.1 | 5% | 0.047 | 12% | 0.124 | C | C | . | . | trans | -98.1 | 139.1 | -170.5 | -48.9 | -160.8 | 96.7 | 0 | 0 | 113.5 | L37 E38 I91 T92 R93 I315 R317 | L37-E89 WeakPolarHBondContact CB-OE2 3.37Å; L37-E89 PolarHBondContact N-OE2 2.89Å; E38-E89 PolarHBondContact OE2-N 3.46Å; E89-I91 HydrophobicContact CB-CG2 3.84Å; E89-I91 PolarHBondContact O-N 2.77Å; E89-T92 WeakPolarHBondContact O-CB 3.36Å; E89-T92 PolarHBondContact O-N 2.79Å; E89-T92 VanDerWaalsContact O-N 3.16Å; E89-R93 PolarHBondContact O-N 3.08Å; E89-I315 HydrophobicContact CG-CD1 4.13Å; E89-R317 IonicContact OE1-CZ 3.05Å; E89-R317 IonicContact OE1-NE 3.63Å; E89-R317 PolarHBondContact OE1-NE 2.8Å; E89-R317 IonicContact OE1-NH2 2.73Å; E89-R317 PolarHBondContact OE1-NH2 3.06Å; E89-R317 IonicContact OE2-NH2 2.63Å; E89-R317 PolarHBondContact OE2-NH2 3.39Å; E89-R317 VanDerWaalsContact OE2-NH2 3.08Å | ||
| 90 | D | 93.6 | Very high | 95.6 | Very high | 45 Ų | 45 | 22 Ų | 22 | 24% | 0.241 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -60.2 | -36.2 | 174.3 | -70.9 | -31.7 | 0 | 0 | 0 | 112.2 | T92 R93 Y94 A171 F322 | D90-T92 VanDerWaalsContact C-N 3.31Å; D90-T92 PolarHBondContact O-N 2.86Å; D90-R93 WeakPolarHBondContact O-CB 3.47Å; D90-R93 PolarHBondContact O-N 3.3Å; D90-R93 IonicContact OD1-CZ 3.22Å; D90-R93 VanDerWaalsContact OD1-CZ 3.31Å; D90-R93 IonicContact OD1-NE 2.7Å; D90-R93 PolarHBondContact OD1-NE 2.9Å; D90-R93 IonicContact OD1-NH2 2.67Å; D90-R93 PolarHBondContact OD1-NH2 3.29Å; D90-Y94 WeakPolarHBondContact O-CB 3.17Å; D90-Y94 PolarHBondContact O-N 2.82Å; D90-A171 HydrophobicContact CB-CB 4.43Å; D90-F322 HydrophobicContact CB-CE1 4.33Å |
| 91 | I | 95 | Very high | 95.5 | Very high | 4 Ų | 4 | 22.6 Ų | 22.6 | 2% | 0.021 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -63.1 | -38.9 | 177.7 | -168.6 | 165.8 | 0 | 0 | 0 | 111.1 | L34 L36 E89 R93 Y94 Y95 P320 F322 | L34-I91 WeakPolarHBondContact O-CD1 3.19Å; L36-I91 HydrophobicContact CD2-CB 4.34Å; L36-I91 HydrophobicContact CD2-CD1 4.42Å; L36-I91 HydrophobicContact CD2-CG1 3.88Å; L36-I91 HydrophobicContact CD2-CG2 3.88Å; E89-I91 HydrophobicContact CB-CG2 3.84Å; E89-I91 PolarHBondContact O-N 2.77Å; I91-R93 PolarHBondContact O-N 2.83Å; I91-Y94 PolarHBondContact O-N 2.9Å; I91-Y95 HydrophobicContact CD1-CE2 4.21Å; I91-Y95 HydrophobicContact CG1-CD2 3.83Å; I91-Y95 HydrophobicContact CG1-CE2 3.77Å; I91-Y95 VanDerWaalsContact O-CD2 3.3Å; I91-Y95 WeakPolarHBondContact O-CD2 3.43Å; I91-Y95 PolarHBondContact O-N 2.89Å; I91-P320 HydrophobicContact CB-CG 4.06Å; I91-P320 HydrophobicContact CG2-CG 3.62Å; I91-F322 VanDerWaalsContact CA-CE1 3.49Å; I91-F322 HydrophobicContact CB-CD1 3.69Å; I91-F322 HydrophobicContact CB-CE1 3.6Å; I91-F322 HydrophobicContact CB-CG 4.48Å; I91-F322 HydrophobicContact CB-CZ 4.32Å; I91-F322 HydrophobicContact CD1-CB 4.06Å; I91-F322 HydrophobicContact CD1-CD1 3.92Å; I91-F322 HydrophobicContact CD1-CG 4.06Å; I91-F322 HydrophobicContact CG1-CD1 3.82Å; I91-F322 HydrophobicContact CG1-CE1 4.08Å; I91-F322 HydrophobicContact CG1-CG 4.12Å |
| 92 | T | 96.6 | Very high | 95.5 | Very high | 2 Ų | 2 | 25.3 Ų | 25.3 | 1% | 0.012 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64.4 | -43.7 | 176.5 | -50.5 | 0 | 0 | 0 | 0 | 111.1 | E38 Y41 F42 L87 E89 D90 Y94 Y95 L96 | E38-T92 HydrophobicContact CB-CG2 3.89Å; E38-T92 WeakPolarHBondContact OE2-CB 3.5Å; E38-T92 PolarHBondContact OE2-OG1 2.82Å; Y41-T92 HydrophobicContact CD2-CG2 4.44Å; F42-T92 HydrophobicContact CE2-CG2 4.01Å; F42-T92 HydrophobicContact CZ-CG2 4.15Å; L87-T92 HydrophobicContact CD1-CG2 3.97Å; L87-T92 HydrophobicContact CD2-CG2 3.87Å; L87-T92 HydrophobicContact CG-CG2 4.38Å; E89-T92 WeakPolarHBondContact O-CB 3.36Å; E89-T92 PolarHBondContact O-N 2.79Å; E89-T92 VanDerWaalsContact O-N 3.16Å; D90-T92 VanDerWaalsContact C-N 3.31Å; D90-T92 PolarHBondContact O-N 2.86Å; T92-Y94 VanDerWaalsContact C-N 3.35Å; T92-Y95 PolarHBondContact O-N 2.85Å; T92-L96 PolarHBondContact O-N 3.09Å |
| 93 | R | 96.9 | Very high | 95.6 | Very high | 28 Ų | 28 | 22.8 Ų | 22.8 | 11% | 0.106 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -58.9 | -46.3 | 173.4 | -75.8 | -176.6 | -84.4 | -78.9 | -1.1 | 111.3 | L87 T88 E89 D90 I91 Y95 L96 C97 L178 | L87-R93 HydrophobicContact CB-CG 4.16Å; L87-R93 HydrophobicContact CD1-CG 4.01Å; L87-R93 PolarHBondContact O-NH1 3.14Å; T88-R93 PolarHBondContact O-NH2 3.22Å; E89-R93 PolarHBondContact O-N 3.08Å; D90-R93 WeakPolarHBondContact O-CB 3.47Å; D90-R93 PolarHBondContact O-N 3.3Å; D90-R93 IonicContact OD1-CZ 3.22Å; D90-R93 VanDerWaalsContact OD1-CZ 3.31Å; D90-R93 IonicContact OD1-NE 2.7Å; D90-R93 PolarHBondContact OD1-NE 2.9Å; D90-R93 IonicContact OD1-NH2 2.67Å; D90-R93 PolarHBondContact OD1-NH2 3.29Å; I91-R93 PolarHBondContact O-N 2.83Å; R93-Y95 PolarHBondContact O-N 2.82Å; R93-L96 WeakPolarHBondContact O-CB 3.4Å; R93-L96 PolarHBondContact O-N 3.27Å; R93-L96 VanDerWaalsContact O-N 3.13Å; R93-C97 PolarHBondContact O-N 3.41Å; R93-C97 PolarHBondContact O-SG 3.33Å; R93-C97 VanDerWaalsContact O-SG 3.41Å; R93-L178 HydrophobicContact CB-CD1 3.74Å; R93-L178 HydrophobicContact CG-CD1 3.8Å |
| 94 | Y | 96.8 | Very high | 95.7 | Very high | 2 Ų | 2 | 20.9 Ų | 20.9 | 1% | 0.008 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -59.4 | -47.7 | 179.6 | 179.2 | -116.9 | 0 | 0 | 0 | 112.3 | D90 I91 T92 L96 C97 L98 E127 F322 R324 T325 | D90-Y94 WeakPolarHBondContact O-CB 3.17Å; D90-Y94 PolarHBondContact O-N 2.82Å; I91-Y94 PolarHBondContact O-N 2.9Å; T92-Y94 VanDerWaalsContact C-N 3.35Å; Y94-L96 VanDerWaalsContact C-N 3.27Å; Y94-L96 PolarHBondContact O-N 3.26Å; Y94-C97 WeakPolarHBondContact O-CA 3.42Å; Y94-C97 VanDerWaalsContact O-CB 3.29Å; Y94-C97 WeakPolarHBondContact O-CB 3.31Å; Y94-C97 PolarHBondContact O-N 3.02Å; Y94-C97 VanDerWaalsContact O-N 3.08Å; Y94-L98 HydrophobicContact CD1-CD1 4.1Å; Y94-L98 HydrophobicContact CD1-CG 4.48Å; Y94-L98 HydrophobicContact CE1-CD1 3.62Å; Y94-L98 HydrophobicContact CE1-CD2 4.46Å; Y94-L98 HydrophobicContact CE1-CG 4.12Å; Y94-L98 HydrophobicContact CE2-CD2 4.2Å; Y94-L98 HydrophobicContact CE2-CG 4.29Å; Y94-L98 WeakPolarHBondContact O-CG 3.34Å; Y94-L98 PolarHBondContact O-N 3.36Å; Y94-E127 VanDerWaalsContact CE2-OE1 3.26Å; Y94-E127 WeakPolarHBondContact CE2-OE1 3.09Å; Y94-E127 PolarHBondContact OH-OE1 3.22Å; Y94-E127 PolarHBondContact OH-OE2 3.43Å; Y94-F322 AromaticContact CD1-CD2 3.85Å; Y94-F322 HydrophobicContact CD1-CD2 3.85Å; Y94-F322 AromaticContact CD1-CE2 3.31Å; Y94-F322 HydrophobicContact CD1-CE2 3.31Å; Y94-F322 HydrophobicContact CD1-CZ 4.15Å; Y94-F322 HydrophobicContact CD2-CE2 4.19Å; Y94-F322 HydrophobicContact CE1-CD2 4.19Å; Y94-F322 AromaticContact CE1-CE2 3.93Å; Y94-F322 HydrophobicContact CE1-CE2 3.93Å; Y94-F322 HydrophobicContact CG-CD2 4.43Å; Y94-F322 AromaticContact CG-CE2 3.46Å; Y94-F322 HydrophobicContact CG-CE2 3.46Å; Y94-F322 VanDerWaalsContact CG-CE2 3.46Å; Y94-F322 AromaticContact CG-CZ 3.97Å; Y94-F322 HydrophobicContact CG-CZ 3.97Å; Y94-R324 HydrophobicContact CE2-CB 4.37Å; Y94-R324 HydrophobicContact CE2-CG 4.22Å; Y94-R324 WeakPolarHBondContact OH-CA 3.27Å; Y94-T325 PolarHBondContact OH-N 3.21Å |
| 95 | Y | 97.4 | Very high | 95.8 | Very high | 16 Ų | 16 | 23.2 Ų | 23.2 | 6% | 0.063 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -64.4 | -31.5 | 176.4 | -85.6 | -85.5 | 0 | 0 | 0 | 112.8 | L8 L34 L36 F75 I91 T92 R93 L98 Q99 | L8-Y95 HydrophobicContact CB-CD1 3.94Å; L8-Y95 HydrophobicContact CB-CE1 4.3Å; L8-Y95 HydrophobicContact CD1-CD1 3.99Å; L8-Y95 WeakPolarHBondContact CD1-O 3.29Å; L8-Y95 HydrophobicContact CG-CD1 4.44Å; L34-Y95 HydrophobicContact CD1-CE1 3.89Å; L34-Y95 HydrophobicContact CD2-CE1 4.37Å; L34-Y95 WeakPolarHBondContact CD2-OH 3.11Å; L36-Y95 HydrophobicContact CD1-CD2 4.21Å; L36-Y95 HydrophobicContact CD1-CE2 4.48Å; L36-Y95 HydrophobicContact CD1-CG 4.38Å; L36-Y95 HydrophobicContact CD2-CD2 4.01Å; L36-Y95 HydrophobicContact CG-CD2 4.46Å; F75-Y95 HydrophobicContact CE1-CD1 4.23Å; I91-Y95 HydrophobicContact CD1-CE2 4.21Å; I91-Y95 HydrophobicContact CG1-CD2 3.83Å; I91-Y95 HydrophobicContact CG1-CE2 3.77Å; I91-Y95 VanDerWaalsContact O-CD2 3.3Å; I91-Y95 WeakPolarHBondContact O-CD2 3.43Å; I91-Y95 PolarHBondContact O-N 2.89Å; T92-Y95 PolarHBondContact O-N 2.85Å; R93-Y95 PolarHBondContact O-N 2.82Å; Y95-L98 HydrophobicContact CD1-CD1 4.24Å; Y95-L98 HydrophobicContact CE1-CD1 4.37Å; Y95-L98 PolarHBondContact O-N 3.38Å; Y95-Q99 PolarHBondContact O-N 2.88Å; Y95-Q99 VanDerWaalsContact O-N 3.1Å |
| 96 | L | 98.1 | Very high | 95.9 | Very high | 4 Ų | 4 | 24 Ų | 24 | 2% | 0.021 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -66.3 | -42 | 170.8 | -176.9 | 60 | 0 | 0 | 0 | 111.8 | V77 Y80 P81 P84 L87 T92 R93 Y94 Q99 L100 L178 | V77-L96 HydrophobicContact CB-CD1 4.42Å; V77-L96 HydrophobicContact CG1-CD1 3.89Å; V77-L96 HydrophobicContact CG2-CD1 3.93Å; Y80-L96 HydrophobicContact CD1-CD1 3.83Å; Y80-L96 HydrophobicContact CE1-CD1 4.23Å; P81-L96 HydrophobicContact CG-CD2 3.79Å; P84-L96 HydrophobicContact CB-CD2 4.14Å; P84-L96 HydrophobicContact CG-CD2 4.32Å; L87-L96 HydrophobicContact CD1-CD2 4.05Å; T92-L96 PolarHBondContact O-N 3.09Å; R93-L96 WeakPolarHBondContact O-CB 3.4Å; R93-L96 PolarHBondContact O-N 3.27Å; R93-L96 VanDerWaalsContact O-N 3.13Å; Y94-L96 VanDerWaalsContact C-N 3.27Å; Y94-L96 PolarHBondContact O-N 3.26Å; L96-Q99 PolarHBondContact O-N 3.02Å; L96-L100 HydrophobicContact CD1-CD1 4.34Å; L96-L100 HydrophobicContact CG-CD1 4.08Å; L96-L100 WeakPolarHBondContact O-CG 3.32Å; L96-L100 PolarHBondContact O-N 3.43Å; L96-L178 HydrophobicContact CB-CD2 4.17Å; L96-L178 HydrophobicContact CD2-CD1 4.24Å; L96-L178 HydrophobicContact CD2-CD2 3.66Å; L96-L178 HydrophobicContact CG-CD2 3.61Å |
| 97 | C | 97.9 | Very high | 96 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -57.7 | -48 | 172.3 | -68.5 | 0 | 0 | 0 | 0 | 111.3 | R93 Y94 Q99 L100 R101 F177 | R93-C97 PolarHBondContact O-N 3.41Å; R93-C97 PolarHBondContact O-SG 3.33Å; R93-C97 VanDerWaalsContact O-SG 3.41Å; Y94-C97 WeakPolarHBondContact O-CA 3.42Å; Y94-C97 VanDerWaalsContact O-CB 3.29Å; Y94-C97 WeakPolarHBondContact O-CB 3.31Å; Y94-C97 PolarHBondContact O-N 3.02Å; Y94-C97 VanDerWaalsContact O-N 3.08Å; C97-Q99 VanDerWaalsContact C-N 3.33Å; C97-Q99 PolarHBondContact O-N 2.93Å; C97-L100 PolarHBondContact O-N 3.41Å; C97-L100 VanDerWaalsContact O-N 3.12Å; C97-R101 VanDerWaalsContact O-CG 3.26Å; C97-R101 WeakPolarHBondContact O-CG 3.37Å; C97-R101 PolarHBondContact O-N 2.86Å; C97-F177 HydrophobicContact CB-CD1 4.23Å; C97-F177 HydrophobicContact CB-CE1 4.37Å |
| 98 | L | 97.3 | Very high | 95.8 | Very high | 13 Ų | 13 | 26.4 Ų | 26.4 | 7% | 0.068 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -56.9 | -45.5 | 178.2 | -68.7 | 179.5 | 0 | 0 | 0 | 112 | L8 D9 Y94 Y95 L100 R101 Q102 | L8-L98 HydrophobicContact CB-CB 3.94Å; L8-L98 HydrophobicContact CB-CD1 4.18Å; D9-L98 HydrophobicContact CB-CD1 3.89Å; Y94-L98 HydrophobicContact CD1-CD1 4.1Å; Y94-L98 HydrophobicContact CD1-CG 4.48Å; Y94-L98 HydrophobicContact CE1-CD1 3.62Å; Y94-L98 HydrophobicContact CE1-CD2 4.46Å; Y94-L98 HydrophobicContact CE1-CG 4.12Å; Y94-L98 HydrophobicContact CE2-CD2 4.2Å; Y94-L98 HydrophobicContact CE2-CG 4.29Å; Y94-L98 WeakPolarHBondContact O-CG 3.34Å; Y94-L98 PolarHBondContact O-N 3.36Å; Y95-L98 HydrophobicContact CD1-CD1 4.24Å; Y95-L98 HydrophobicContact CE1-CD1 4.37Å; Y95-L98 PolarHBondContact O-N 3.38Å; L98-L100 PolarHBondContact O-N 2.86Å; L98-R101 PolarHBondContact O-N 3.32Å; L98-Q102 WeakPolarHBondContact O-CG 3.37Å; L98-Q102 PolarHBondContact O-N 2.89Å; L98-Q102 VanDerWaalsContact O-N 3.08Å |
| 99 | Q | 97.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -60.8 | -45.6 | 175.6 | -178.2 | 67.9 | 78.9 | 0 | 0 | 111.9 | L8 N76 V77 Y80 Y95 L96 C97 R101 Q102 D103 | L8-Q99 HydrophobicContact CD1-CB 4.11Å; L8-Q99 HydrophobicContact CD2-CB 4.2Å; N76-Q99 PolarHBondContact ND2-OE1 3.42Å; V77-Q99 HydrophobicContact CB-CB 4.18Å; V77-Q99 HydrophobicContact CB-CG 3.88Å; V77-Q99 HydrophobicContact CG2-CB 3.54Å; V77-Q99 HydrophobicContact CG2-CG 3.83Å; Y80-Q99 HydrophobicContact CE1-CG 4.17Å; Y80-Q99 WeakPolarHBondContact OH-CG 3.45Å; Y95-Q99 PolarHBondContact O-N 2.88Å; Y95-Q99 VanDerWaalsContact O-N 3.1Å; L96-Q99 PolarHBondContact O-N 3.02Å; C97-Q99 VanDerWaalsContact C-N 3.33Å; C97-Q99 PolarHBondContact O-N 2.93Å; Q99-R101 PolarHBondContact O-N 3.44Å; Q99-Q102 WeakPolarHBondContact O-CB 3.4Å; Q99-Q102 PolarHBondContact O-N 2.74Å; Q99-D103 PolarHBondContact NE2-OD1 2.88Å; Q99-D103 PolarHBondContact O-N 2.73Å |
| 100 | L | 98.2 | Very high | 96 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -67.2 | -36.1 | -178.7 | -70 | 164.5 | 0 | 0 | 0 | 112.3 | Y80 L96 C97 L98 Q102 D103 I104 L109 F177 L178 A181 Y187 | Y80-L100 HydrophobicContact CD1-CD2 4.14Å; Y80-L100 HydrophobicContact CE1-CD2 3.8Å; Y80-L100 HydrophobicContact CE1-CG 4.37Å; L96-L100 HydrophobicContact CD1-CD1 4.34Å; L96-L100 HydrophobicContact CG-CD1 4.08Å; L96-L100 WeakPolarHBondContact O-CG 3.32Å; L96-L100 PolarHBondContact O-N 3.43Å; C97-L100 PolarHBondContact O-N 3.41Å; C97-L100 VanDerWaalsContact O-N 3.12Å; L98-L100 PolarHBondContact O-N 2.86Å; L100-Q102 VanDerWaalsContact C-N 3.35Å; L100-D103 WeakPolarHBondContact O-CB 3.41Å; L100-D103 PolarHBondContact O-N 3.39Å; L100-D103 VanDerWaalsContact O-N 3.11Å; L100-I104 VanDerWaalsContact O-CG1 3.32Å; L100-I104 WeakPolarHBondContact O-CG1 3.42Å; L100-I104 PolarHBondContact O-N 2.97Å; L100-L109 HydrophobicContact CD2-CD2 3.75Å; L100-F177 HydrophobicContact CB-CE1 3.75Å; L100-F177 HydrophobicContact CB-CZ 4.1Å; L100-F177 HydrophobicContact CD1-CE1 3.93Å; L100-L178 HydrophobicContact CD1-CD2 3.47Å; L100-L178 VanDerWaalsContact CD1-CD2 3.47Å; L100-A181 HydrophobicContact CD1-CB 4.04Å; L100-Y187 HydrophobicContact CD1-CD2 4.42Å; L100-Y187 HydrophobicContact CD1-CE2 3.88Å; L100-Y187 HydrophobicContact CD2-CD2 3.72Å; L100-Y187 HydrophobicContact CD2-CE2 3.82Å; L100-Y187 HydrophobicContact CG-CE2 4.47Å |
| 101 | R | 97.3 | Very high | 96.1 | Very high | 32 Ų | 32 | 26.1 Ų | 26.1 | 12% | 0.121 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -59.6 | -45.9 | 171.5 | -68.2 | 169.6 | -167.6 | 175.2 | 4.7 | 110.8 | C97 L98 Q99 D103 I104 V105 T123 S126 E127 D174 F177 | C97-R101 VanDerWaalsContact O-CG 3.26Å; C97-R101 WeakPolarHBondContact O-CG 3.37Å; C97-R101 PolarHBondContact O-N 2.86Å; L98-R101 PolarHBondContact O-N 3.32Å; Q99-R101 PolarHBondContact O-N 3.44Å; R101-D103 VanDerWaalsContact C-N 3.29Å; R101-D103 PolarHBondContact O-N 3.5Å; R101-I104 PolarHBondContact O-N 3.05Å; R101-V105 WeakPolarHBondContact O-CG2 3.29Å; R101-V105 PolarHBondContact O-N 2.72Å; R101-T123 PolarHBondContact NE-OG1 2.94Å; R101-S126 PolarHBondContact NH2-OG 3.21Å; R101-E127 IonicContact CZ-OE1 3.77Å; R101-E127 IonicContact NH1-OE1 2.56Å; R101-E127 PolarHBondContact NH1-OE1 3.14Å; R101-E127 IonicContact NH2-OE1 2.82Å; R101-D174 IonicContact NH2-OD1 2.67Å; R101-F177 HydrophobicContact CG-CE2 4.15Å; R101-F177 HydrophobicContact CG-CZ 3.98Å |
| 102 | Q | 95.6 | Very high | 96.2 | Very high | 59 Ų | 59 | 29 Ų | 29 | 28% | 0.276 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -61.1 | -38.6 | 172.6 | -66.9 | 178.7 | 2 | 0 | 0 | 112 | L8 L98 Q99 L100 A106 | L8-Q102 PolarHBondContact O-NE2 2.98Å; L98-Q102 WeakPolarHBondContact O-CG 3.37Å; L98-Q102 PolarHBondContact O-N 2.89Å; L98-Q102 VanDerWaalsContact O-N 3.08Å; Q99-Q102 WeakPolarHBondContact O-CB 3.4Å; Q99-Q102 PolarHBondContact O-N 2.74Å; L100-Q102 VanDerWaalsContact C-N 3.35Å; Q102-A106 WeakPolarHBondContact O-CB 3.18Å; Q102-A106 PolarHBondContact O-N 2.6Å |
| 103 | D | 96.3 | Very high | 96.2 | Very high | 7 Ų | 7 | 33.3 Ų | 33.3 | 4% | 0.037 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.8 | -39 | 178.2 | -61.3 | -5.7 | 0 | 0 | 0 | 111.5 | Y80 Q99 L100 R101 G107 R108 L109 | Y80-D103 PolarHBondContact OH-OD2 3.15Å; Q99-D103 PolarHBondContact NE2-OD1 2.88Å; Q99-D103 PolarHBondContact O-N 2.73Å; L100-D103 WeakPolarHBondContact O-CB 3.41Å; L100-D103 PolarHBondContact O-N 3.39Å; L100-D103 VanDerWaalsContact O-N 3.11Å; R101-D103 VanDerWaalsContact C-N 3.29Å; R101-D103 PolarHBondContact O-N 3.5Å; D103-G107 PolarHBondContact O-N 3.34Å; D103-R108 HydrophobicContact CB-CB 4.32Å; D103-R108 VanDerWaalsContact CG-NH1 3.27Å; D103-R108 WeakPolarHBondContact O-CA 3.46Å; D103-R108 PolarHBondContact O-N 2.93Å; D103-R108 IonicContact OD1-CZ 3.94Å; D103-R108 IonicContact OD1-NH1 3.77Å; D103-R108 PolarHBondContact OD1-NH1 3.32Å; D103-R108 IonicContact OD1-NH2 3.67Å; D103-R108 PolarHBondContact OD1-NH2 3.4Å; D103-R108 IonicContact OD2-NH1 2.74Å; D103-L109 HydrophobicContact CB-CB 3.87Å; D103-L109 PolarHBondContact O-N 3.36Å |
| 104 | I | 97.4 | Very high | 96.2 | Very high | 7 Ų | 7 | 35.2 Ų | 35.2 | 4% | 0.036 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.2 | -53.4 | 174.9 | -68.3 | 166.7 | 0 | 0 | 0 | 110.3 | L100 R101 A106 G107 L109 L116 L119 L146 P148 F177 | L100-I104 VanDerWaalsContact O-CG1 3.32Å; L100-I104 WeakPolarHBondContact O-CG1 3.42Å; L100-I104 PolarHBondContact O-N 2.97Å; R101-I104 PolarHBondContact O-N 3.05Å; I104-A106 VanDerWaalsContact C-N 3.27Å; I104-A106 PolarHBondContact O-N 2.88Å; I104-G107 PolarHBondContact O-N 3.07Å; I104-L109 HydrophobicContact CD1-CD2 4.48Å; I104-L109 HydrophobicContact CG1-CB 4.07Å; I104-L109 HydrophobicContact CG1-CD2 3.99Å; I104-L109 HydrophobicContact CG1-CG 4.17Å; I104-L116 HydrophobicContact CG2-CD2 3.46Å; I104-L116 VanDerWaalsContact CG2-CD2 3.46Å; I104-L119 HydrophobicContact CD1-CD1 3.8Å; I104-L146 WeakPolarHBondContact CG2-O 3.24Å; I104-P148 WeakPolarHBondContact O-CD 3.35Å; I104-P148 VanDerWaalsContact O-CG 3.29Å; I104-P148 WeakPolarHBondContact O-CG 3.44Å; I104-F177 HydrophobicContact CD1-CZ 4.24Å |
| 105 | V | 95.4 | Very high | 96.3 | Very high | 48 Ų | 48 | 36.8 Ų | 36.8 | 29% | 0.291 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -62.6 | -34.5 | -178 | 173.3 | 0 | 0 | 0 | 0 | 112 | R101 G107 K145 P148 | R101-V105 WeakPolarHBondContact O-CG2 3.29Å; R101-V105 PolarHBondContact O-N 2.72Å; V105-G107 PolarHBondContact O-N 2.92Å; V105-K145 HydrophobicContact CG2-CB 4.27Å; V105-K145 WeakPolarHBondContact CG2-O 3.11Å; V105-P148 WeakPolarHBondContact O-CG 3.41Å |
| 106 | A | 93 | Very high | 96.4 | Very high | 68 Ų | 68 | 37.2 Ų | 37.2 | 56% | 0.562 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -3.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q102 I104 R108 | Q102-A106 WeakPolarHBondContact O-CB 3.18Å; Q102-A106 PolarHBondContact O-N 2.6Å; I104-A106 VanDerWaalsContact C-N 3.27Å; I104-A106 PolarHBondContact O-N 2.88Å; A106-R108 HydrophobicContact CB-CG 4.45Å; A106-R108 PolarHBondContact O-N 3.4Å |
| 107 | G | 92.5 | Very high | 96.4 | Very high | 43 Ų | 43 | 37.1 Ų | 37.1 | 44% | 0.443 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.8 | 12.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | D103 I104 V105 | D103-G107 PolarHBondContact O-N 3.34Å; I104-G107 PolarHBondContact O-N 3.07Å; V105-G107 PolarHBondContact O-N 2.92Å |
| 108 | R | 92.3 | Very high | 96.4 | Very high | 99 Ų | 99 | 39.5 Ų | 39.5 | 37% | 0.374 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -77.1 | -27 | 175 | -72.6 | -168.5 | -75 | 118.9 | -1.4 | 112.5 | D103 A106 P110 | D103-R108 HydrophobicContact CB-CB 4.32Å; D103-R108 VanDerWaalsContact CG-NH1 3.27Å; D103-R108 WeakPolarHBondContact O-CA 3.46Å; D103-R108 PolarHBondContact O-N 2.93Å; D103-R108 IonicContact OD1-CZ 3.94Å; D103-R108 IonicContact OD1-NH1 3.77Å; D103-R108 PolarHBondContact OD1-NH1 3.32Å; D103-R108 IonicContact OD1-NH2 3.67Å; D103-R108 PolarHBondContact OD1-NH2 3.4Å; D103-R108 IonicContact OD2-NH1 2.74Å; A106-R108 HydrophobicContact CB-CG 4.45Å; A106-R108 PolarHBondContact O-N 3.4Å; R108-P110 WeakPolarHBondContact O-CD 3.33Å |
| 109 | L | 95.8 | Very high | 96.5 | Very high | 3 Ų | 3 | 39.1 Ų | 39.1 | 2% | 0.016 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -116.5 | 85.1 | 174 | -172.9 | 57.9 | 0 | 0 | 0 | 109.6 | L100 D103 I104 C111 L184 M186 | L100-L109 HydrophobicContact CD2-CD2 3.75Å; D103-L109 HydrophobicContact CB-CB 3.87Å; D103-L109 PolarHBondContact O-N 3.36Å; I104-L109 HydrophobicContact CD1-CD2 4.48Å; I104-L109 HydrophobicContact CG1-CB 4.07Å; I104-L109 HydrophobicContact CG1-CD2 3.99Å; I104-L109 HydrophobicContact CG1-CG 4.17Å; L109-C111 PolarHBondContact O-N 3.31Å; L109-C111 PolarHBondContact O-SG 2.81Å; L109-L184 HydrophobicContact CD1-CB 3.73Å; L109-L184 HydrophobicContact CD1-CD1 3.85Å; L109-L184 HydrophobicContact CD1-CG 4.46Å; L109-L184 HydrophobicContact CD2-CD1 3.91Å; L109-L184 HydrophobicContact CG-CD1 3.76Å; L109-M186 HydrophobicContact CD1-CB 3.96Å |
| 110 | P | 94.4 | Very high | 96.5 | Very high | 81 Ų | 81 | 39.2 Ų | 39.2 | 53% | 0.526 | 24% | 0.238 | S | C | . | . | trans | -63.3 | 133.8 | -179.3 | -20.5 | 33.3 | 0 | 0 | 0 | 111.1 | R108 M186 | R108-P110 WeakPolarHBondContact O-CD 3.33Å; P110-M186 HydrophobicContact CG-CG 4.43Å | ||
| 111 | C | 96.2 | Very high | 96.5 | Very high | 33 Ų | 33 | 39.2 Ų | 39.2 | 22% | 0.223 | 24% | 0.238 | C | C | . | . | trans | -128.3 | 146.7 | -179.3 | -67.5 | 0 | 0 | 0 | 0 | 110.1 | L109 T115 L116 L184 | L109-C111 PolarHBondContact O-N 3.31Å; L109-C111 PolarHBondContact O-SG 2.81Å; C111-T115 HydrophobicContact CB-CG2 3.97Å; C111-L116 HydrophobicContact CB-CD2 3.61Å; C111-L116 HydrophobicContact CB-CG 3.64Å; C111-L184 VanDerWaalsContact SG-CD1 3.56Å | ||
| 112 | S | 96.3 | Very high | 96.6 | Very high | 65 Ų | 65 | 38.9 Ų | 38.9 | 46% | 0.455 | 24% | 0.237 | S | C | . | . | trans | -70.2 | 164.5 | 167.1 | 77.2 | 0 | 0 | 0 | 0 | 110.5 | A114 T115 L116 | S112-A114 VanDerWaalsContact C-N 3.33Å; S112-A114 PolarHBondContact O-N 2.93Å; S112-T115 WeakPolarHBondContact O-CB 3.43Å; S112-T115 PolarHBondContact O-N 2.88Å; S112-T115 WeakPolarHBondContact OG-CB 3.44Å; S112-T115 PolarHBondContact OG-N 2.78Å; S112-T115 VanDerWaalsContact OG-N 3.14Å; S112-T115 PolarHBondContact OG-OG1 2.82Å; S112-L116 WeakPolarHBondContact O-CG 3.32Å; S112-L116 PolarHBondContact O-N 3.33Å | ||
| 113 | F | 97.6 | Very high | 96.7 | Very high | 92 Ų | 92 | 36.4 Ų | 36.4 | 40% | 0.404 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -54.5 | -48.3 | 174.3 | 178.2 | -91.2 | 0 | 0 | 0 | 112.2 | T115 L116 A117 E153 L154 K157 | F113-T115 VanDerWaalsContact C-N 3.3Å; F113-T115 PolarHBondContact O-N 2.86Å; F113-L116 WeakPolarHBondContact O-CB 3.46Å; F113-L116 PolarHBondContact O-N 2.78Å; F113-L116 VanDerWaalsContact O-N 3.17Å; F113-A117 PolarHBondContact O-N 2.84Å; F113-E153 HydrophobicContact CE2-CG 4.45Å; F113-E153 HydrophobicContact CZ-CG 4.05Å; F113-L154 HydrophobicContact CD2-CD1 4.42Å; F113-L154 HydrophobicContact CE2-CB 3.81Å; F113-L154 HydrophobicContact CE2-CD1 4.14Å; F113-L154 HydrophobicContact CZ-CB 4.44Å; F113-L154 HydrophobicContact CZ-CD1 4.5Å; F113-K157 HydrophobicContact CE1-CG 4.49Å; F113-K157 HydrophobicContact CZ-CB 4.38Å |
| 114 | A | 97.8 | Very high | 96.7 | Very high | 68 Ų | 68 | 36.1 Ų | 36.1 | 56% | 0.562 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -61.4 | -40 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | S112 A117 L118 | S112-A114 VanDerWaalsContact C-N 3.33Å; S112-A114 PolarHBondContact O-N 2.93Å; A114-A117 PolarHBondContact O-N 2.56Å; A114-L118 WeakPolarHBondContact O-CB 3.29Å; A114-L118 PolarHBondContact O-N 2.82Å |
| 115 | T | 98.1 | Very high | 96.7 | Very high | 35 Ų | 35 | 35.8 Ų | 35.8 | 22% | 0.215 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.1 | -43.4 | 175.2 | -52.4 | 0 | 0 | 0 | 0 | 111.6 | C111 S112 F113 A117 L118 L119 L184 | C111-T115 HydrophobicContact CB-CG2 3.97Å; S112-T115 WeakPolarHBondContact O-CB 3.43Å; S112-T115 PolarHBondContact O-N 2.88Å; S112-T115 WeakPolarHBondContact OG-CB 3.44Å; S112-T115 PolarHBondContact OG-N 2.78Å; S112-T115 VanDerWaalsContact OG-N 3.14Å; S112-T115 PolarHBondContact OG-OG1 2.82Å; F113-T115 VanDerWaalsContact C-N 3.3Å; F113-T115 PolarHBondContact O-N 2.86Å; T115-A117 VanDerWaalsContact C-N 3.32Å; T115-A117 PolarHBondContact O-N 2.78Å; T115-L118 PolarHBondContact O-N 2.91Å; T115-L119 HydrophobicContact CG2-CD1 3.81Å; T115-L119 HydrophobicContact CG2-CG 4.11Å; T115-L119 WeakPolarHBondContact O-CB 3.37Å; T115-L119 WeakPolarHBondContact O-CG 3.46Å; T115-L119 PolarHBondContact O-N 3.15Å; T115-L184 HydrophobicContact CG2-CD1 4.37Å; T115-L184 HydrophobicContact CG2-CD2 4.02Å |
| 116 | L | 98.4 | Very high | 96.7 | Very high | 25 Ų | 25 | 33.5 Ų | 33.5 | 13% | 0.131 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.4 | -41.9 | 176.6 | -73 | 171.6 | 0 | 0 | 0 | 111.3 | I104 C111 S112 F113 G120 A147 L154 | I104-L116 HydrophobicContact CG2-CD2 3.46Å; I104-L116 VanDerWaalsContact CG2-CD2 3.46Å; C111-L116 HydrophobicContact CB-CD2 3.61Å; C111-L116 HydrophobicContact CB-CG 3.64Å; S112-L116 WeakPolarHBondContact O-CG 3.32Å; S112-L116 PolarHBondContact O-N 3.33Å; F113-L116 WeakPolarHBondContact O-CB 3.46Å; F113-L116 PolarHBondContact O-N 2.78Å; F113-L116 VanDerWaalsContact O-N 3.17Å; L116-G120 WeakPolarHBondContact O-CA 3.17Å; L116-G120 PolarHBondContact O-N 2.85Å; L116-A147 HydrophobicContact CD1-CB 3.89Å; L116-A147 HydrophobicContact CD2-CB 4.03Å; L116-L154 HydrophobicContact CB-CD1 3.81Å; L116-L154 HydrophobicContact CB-CD2 4.2Å; L116-L154 HydrophobicContact CD1-CD2 4.48Å |
| 117 | A | 98.5 | Very high | 96.8 | Very high | 2 Ų | 2 | 31.1 Ų | 31.1 | 2% | 0.017 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.5 | -45.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | F113 A114 T115 G120 S121 L154 K157 L161 | F113-A117 PolarHBondContact O-N 2.84Å; A114-A117 PolarHBondContact O-N 2.56Å; T115-A117 VanDerWaalsContact C-N 3.32Å; T115-A117 PolarHBondContact O-N 2.78Å; A117-G120 PolarHBondContact O-N 2.8Å; A117-S121 PolarHBondContact O-N 3.32Å; A117-S121 PolarHBondContact O-OG 3.29Å; A117-L154 HydrophobicContact CB-CD1 3.93Å; A117-K157 HydrophobicContact CB-CB 4.1Å; A117-K157 HydrophobicContact CB-CG 3.71Å; A117-L161 HydrophobicContact CB-CD1 4.16Å |
| 118 | L | 98.7 | Very high | 96.8 | Very high | 50 Ų | 50 | 32 Ų | 32 | 26% | 0.262 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -67.6 | -47.6 | 179.4 | -177.6 | 64.6 | 0 | 0 | 0 | 113.1 | A114 T115 G120 S121 Y122 | A114-L118 WeakPolarHBondContact O-CB 3.29Å; A114-L118 PolarHBondContact O-N 2.82Å; T115-L118 PolarHBondContact O-N 2.91Å; L118-G120 VanDerWaalsContact C-N 3.28Å; L118-G120 PolarHBondContact O-N 3.08Å; L118-S121 PolarHBondContact O-N 3.13Å; L118-S121 PolarHBondContact O-OG 2.87Å; L118-Y122 HydrophobicContact CD1-CD2 4.4Å; L118-Y122 HydrophobicContact CD1-CE2 3.65Å; L118-Y122 HydrophobicContact CD2-CE2 4.37Å; L118-Y122 HydrophobicContact CG-CD2 4.28Å; L118-Y122 HydrophobicContact CG-CE2 3.73Å; L118-Y122 VanDerWaalsContact O-CD2 3.24Å; L118-Y122 WeakPolarHBondContact O-CD2 3.15Å; L118-Y122 PolarHBondContact O-N 3.47Å |
| 119 | L | 98.6 | Very high | 96.8 | Very high | 4 Ų | 4 | 28 Ų | 28 | 2% | 0.021 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -69 | -32.3 | 177.7 | -66.4 | -174.8 | 0 | 0 | 0 | 111.5 | I104 T115 T123 F177 N180 L184 | I104-L119 HydrophobicContact CD1-CD1 3.8Å; T115-L119 HydrophobicContact CG2-CD1 3.81Å; T115-L119 HydrophobicContact CG2-CG 4.11Å; T115-L119 WeakPolarHBondContact O-CB 3.37Å; T115-L119 WeakPolarHBondContact O-CG 3.46Å; T115-L119 PolarHBondContact O-N 3.15Å; L119-T123 WeakPolarHBondContact O-CB 3.29Å; L119-T123 PolarHBondContact O-N 2.99Å; L119-T123 PolarHBondContact O-OG1 3.49Å; L119-F177 HydrophobicContact CB-CD2 3.94Å; L119-F177 HydrophobicContact CB-CE2 3.69Å; L119-F177 HydrophobicContact CD1-CE2 4.43Å; L119-F177 HydrophobicContact CD2-CD2 3.83Å; L119-F177 HydrophobicContact CD2-CE2 4.11Å; L119-F177 HydrophobicContact CD2-CG 4.12Å; L119-F177 WeakPolarHBondContact CD2-O 3.38Å; L119-F177 HydrophobicContact CG-CD2 4.41Å; L119-F177 HydrophobicContact CG-CE2 4.28Å; L119-F177 WeakPolarHBondContact O-CD2 3.39Å; L119-N180 HydrophobicContact CD2-CB 3.88Å; L119-L184 HydrophobicContact CD1-CD1 4.27Å |
| 120 | G | 98.2 | Very high | 96.8 | Very high | 3 Ų | 3 | 31.4 Ų | 31.4 | 3% | 0.031 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.2 | -47 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L116 A117 L118 Y122 T123 I124 | L116-G120 WeakPolarHBondContact O-CA 3.17Å; L116-G120 PolarHBondContact O-N 2.85Å; A117-G120 PolarHBondContact O-N 2.8Å; L118-G120 VanDerWaalsContact C-N 3.28Å; L118-G120 PolarHBondContact O-N 3.08Å; G120-Y122 PolarHBondContact O-N 2.9Å; G120-T123 WeakPolarHBondContact O-CA 3.37Å; G120-T123 VanDerWaalsContact O-CB 3.27Å; G120-T123 WeakPolarHBondContact O-CB 3.45Å; G120-T123 PolarHBondContact O-N 3.26Å; G120-I124 WeakPolarHBondContact O-CG1 3.48Å; G120-I124 PolarHBondContact O-N 3.24Å |
| 121 | S | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65 | -38.5 | 179.1 | 60.2 | 0 | 0 | 0 | 0 | 112.8 | A117 L118 T123 I124 Q125 L161 Y165 | A117-S121 PolarHBondContact O-N 3.32Å; A117-S121 PolarHBondContact O-OG 3.29Å; L118-S121 PolarHBondContact O-N 3.13Å; L118-S121 PolarHBondContact O-OG 2.87Å; S121-T123 VanDerWaalsContact C-N 3.31Å; S121-T123 PolarHBondContact O-N 3.49Å; S121-I124 PolarHBondContact O-N 2.91Å; S121-Q125 WeakPolarHBondContact O-CB 3.32Å; S121-Q125 PolarHBondContact O-N 3.32Å; S121-L161 VanDerWaalsContact CB-CB 3.46Å; S121-Y165 PolarHBondContact OG-OH 3.08Å |
| 122 | Y | 98.6 | Very high | 96.6 | Very high | 24 Ų | 24 | 31.9 Ų | 31.9 | 9% | 0.094 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -66.1 | -33.3 | 170.9 | -65.8 | -43.4 | 0 | 0 | 0 | 113 | L118 G120 S126 Y165 M168 E176 F177 | L118-Y122 HydrophobicContact CD1-CD2 4.4Å; L118-Y122 HydrophobicContact CD1-CE2 3.65Å; L118-Y122 HydrophobicContact CD2-CE2 4.37Å; L118-Y122 HydrophobicContact CG-CD2 4.28Å; L118-Y122 HydrophobicContact CG-CE2 3.73Å; L118-Y122 VanDerWaalsContact O-CD2 3.24Å; L118-Y122 WeakPolarHBondContact O-CD2 3.15Å; L118-Y122 PolarHBondContact O-N 3.47Å; G120-Y122 PolarHBondContact O-N 2.9Å; Y122-S126 WeakPolarHBondContact O-CB 3.5Å; Y122-S126 PolarHBondContact O-N 2.69Å; Y122-Y165 HydrophobicContact CD1-CE2 4.04Å; Y122-Y165 AromaticContact CD1-CZ 3.82Å; Y122-Y165 WeakPolarHBondContact CD1-OH 3.46Å; Y122-Y165 AromaticContact CE1-CE1 3.97Å; Y122-Y165 HydrophobicContact CE1-CE1 3.97Å; Y122-Y165 HydrophobicContact CE1-CE2 4.22Å; Y122-Y165 AromaticContact CE1-CZ 3.57Å; Y122-Y165 VanDerWaalsContact CE1-OH 3.22Å; Y122-Y165 WeakPolarHBondContact CE1-OH 3.11Å; Y122-M168 HydrophobicContact CD1-SD 4.04Å; Y122-M168 HydrophobicContact CE1-CE 4.07Å; Y122-M168 HydrophobicContact CE1-SD 3.99Å; Y122-E176 HydrophobicContact CD1-CB 4.1Å; Y122-E176 HydrophobicContact CD2-CB 4.17Å; Y122-E176 HydrophobicContact CE1-CB 3.74Å; Y122-E176 HydrophobicContact CE1-CG 4.36Å; Y122-E176 HydrophobicContact CE2-CB 3.78Å; Y122-E176 HydrophobicContact CG-CB 4.32Å; Y122-F177 HydrophobicContact CD2-CB 4.33Å; Y122-F177 HydrophobicContact CG-CB 4.47Å |
| 123 | T | 97.7 | Very high | 96.4 | Very high | 8 Ų | 8 | 33.2 Ų | 33.2 | 5% | 0.049 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.6 | -45.5 | 173 | -64.9 | 0 | 0 | 0 | 0 | 110.8 | R101 L119 G120 S121 S126 E127 L146 | R101-T123 PolarHBondContact NE-OG1 2.94Å; L119-T123 WeakPolarHBondContact O-CB 3.29Å; L119-T123 PolarHBondContact O-N 2.99Å; L119-T123 PolarHBondContact O-OG1 3.49Å; G120-T123 WeakPolarHBondContact O-CA 3.37Å; G120-T123 VanDerWaalsContact O-CB 3.27Å; G120-T123 WeakPolarHBondContact O-CB 3.45Å; G120-T123 PolarHBondContact O-N 3.26Å; S121-T123 VanDerWaalsContact C-N 3.31Å; S121-T123 PolarHBondContact O-N 3.49Å; T123-S126 PolarHBondContact O-N 2.95Å; T123-E127 VanDerWaalsContact O-CG 3.3Å; T123-E127 WeakPolarHBondContact O-CG 3.11Å; T123-E127 PolarHBondContact O-N 2.93Å; T123-L146 HydrophobicContact CG2-CD2 3.81Å |
| 124 | I | 96.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.2 | -47.5 | 178 | -62 | -57.1 | 0 | 0 | 0 | 111.3 | G120 S121 S126 E127 L128 Y140 V141 F144 V158 H162 | G120-I124 WeakPolarHBondContact O-CG1 3.48Å; G120-I124 PolarHBondContact O-N 3.24Å; S121-I124 PolarHBondContact O-N 2.91Å; I124-S126 VanDerWaalsContact C-N 3.27Å; I124-S126 PolarHBondContact O-N 3.05Å; I124-E127 PolarHBondContact O-N 3.38Å; I124-E127 VanDerWaalsContact O-N 3.16Å; I124-L128 HydrophobicContact CG2-CD1 3.9Å; I124-L128 HydrophobicContact CG2-CG 4.41Å; I124-L128 WeakPolarHBondContact O-CB 3.46Å; I124-L128 PolarHBondContact O-N 3.45Å; I124-Y140 HydrophobicContact CG2-CD2 4.44Å; I124-Y140 HydrophobicContact CG2-CE2 3.72Å; I124-V141 HydrophobicContact CD1-CB 4.49Å; I124-V141 HydrophobicContact CD1-CG1 4.18Å; I124-V141 HydrophobicContact CD1-CG2 4.1Å; I124-V141 HydrophobicContact CG1-CG1 4.37Å; I124-V141 HydrophobicContact CG1-CG2 4.02Å; I124-V141 HydrophobicContact CG2-CG2 4.49Å; I124-F144 HydrophobicContact CD1-CB 3.93Å; I124-F144 HydrophobicContact CD1-CD1 3.89Å; I124-F144 HydrophobicContact CD1-CD2 3.34Å; I124-F144 HydrophobicContact CD1-CE1 4.22Å; I124-F144 HydrophobicContact CD1-CE2 3.72Å; I124-F144 HydrophobicContact CD1-CG 3.43Å; I124-F144 VanDerWaalsContact CD1-CG 3.43Å; I124-F144 HydrophobicContact CD1-CZ 4.14Å; I124-V158 HydrophobicContact CG1-CG1 3.69Å; I124-H162 HydrophobicContact CG2-CB 4.39Å; I124-H162 WeakPolarHBondContact CG2-ND1 3.36Å |
| 125 | Q | 97.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.2 | -39.5 | 176.3 | -174.9 | 69.8 | 31.5 | 0 | 0 | 112 | S121 G129 D130 H162 Y165 M168 A173 | S121-Q125 WeakPolarHBondContact O-CB 3.32Å; S121-Q125 PolarHBondContact O-N 3.32Å; Q125-G129 PolarHBondContact NE2-O 3.09Å; Q125-G129 VanDerWaalsContact O-CA 3.3Å; Q125-G129 WeakPolarHBondContact O-CA 3.47Å; Q125-G129 PolarHBondContact O-N 3.4Å; Q125-G129 PolarHBondContact OE1-O 3.39Å; Q125-D130 PolarHBondContact NE2-OD1 2.82Å; Q125-H162 PolarHBondContact OE1-CD2 2.93Å; Q125-H162 PolarHBondContact OE1-NE2 3.15Å; Q125-Y165 HydrophobicContact CB-CD2 4.01Å; Q125-Y165 HydrophobicContact CB-CE2 4.3Å; Q125-Y165 HydrophobicContact CG-CD2 4.1Å; Q125-M168 HydrophobicContact CG-CB 4.19Å; Q125-M168 HydrophobicContact CG-CG 4.11Å; Q125-M168 HydrophobicContact CG-SD 4.03Å; Q125-M168 PolarHBondContact NE2-O 2.83Å; Q125-A173 HydrophobicContact CB-CB 3.89Å; Q125-A173 HydrophobicContact CG-CB 3.76Å |
| 126 | S | 95.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.1 | -42.8 | 176.7 | 170 | 0 | 0 | 0 | 0 | 111.7 | R101 Y122 T123 I124 P170 D174 R324 | R101-S126 PolarHBondContact NH2-OG 3.21Å; Y122-S126 WeakPolarHBondContact O-CB 3.5Å; Y122-S126 PolarHBondContact O-N 2.69Å; T123-S126 PolarHBondContact O-N 2.95Å; I124-S126 VanDerWaalsContact C-N 3.27Å; I124-S126 PolarHBondContact O-N 3.05Å; S126-P170 WeakPolarHBondContact O-CB 3.32Å; S126-D174 WeakPolarHBondContact CB-OD1 3.34Å; S126-D174 PolarHBondContact OG-OD1 2.99Å; S126-R324 WeakPolarHBondContact O-CD 3.31Å; S126-R324 PolarHBondContact OG-NH1 3.34Å |
| 127 | E | 94.1 | Very high | 95.1 | Very high | 18 Ų | 18 | 41.2 Ų | 41.2 | 8% | 0.084 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -85.3 | -33.9 | -175.4 | -65.1 | -62.9 | 158.6 | 0 | 0 | 114 | Y94 R101 T123 I124 F144 R324 T325 A326 | Y94-E127 VanDerWaalsContact CE2-OE1 3.26Å; Y94-E127 WeakPolarHBondContact CE2-OE1 3.09Å; Y94-E127 PolarHBondContact OH-OE1 3.22Å; Y94-E127 PolarHBondContact OH-OE2 3.43Å; R101-E127 IonicContact CZ-OE1 3.77Å; R101-E127 IonicContact NH1-OE1 2.56Å; R101-E127 PolarHBondContact NH1-OE1 3.14Å; R101-E127 IonicContact NH2-OE1 2.82Å; T123-E127 VanDerWaalsContact O-CG 3.3Å; T123-E127 WeakPolarHBondContact O-CG 3.11Å; T123-E127 PolarHBondContact O-N 2.93Å; I124-E127 PolarHBondContact O-N 3.38Å; I124-E127 VanDerWaalsContact O-N 3.16Å; E127-F144 HydrophobicContact CB-CE1 3.75Å; E127-F144 HydrophobicContact CB-CZ 4.21Å; E127-F144 HydrophobicContact CG-CE1 3.94Å; E127-R324 WeakPolarHBondContact OE2-CB 3.39Å; E127-T325 PolarHBondContact OE2-N 3.5Å; E127-A326 PolarHBondContact OE2-N 3.37Å |
| 128 | L | 93.3 | Very high | 94.5 | Very high | 61 Ų | 61 | 49 Ų | 49 | 32% | 0.319 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -108.8 | -17.6 | -172.9 | -58.7 | -175.1 | 0 | 0 | 0 | 114.1 | I124 Y140 F144 | I124-L128 HydrophobicContact CG2-CD1 3.9Å; I124-L128 HydrophobicContact CG2-CG 4.41Å; I124-L128 WeakPolarHBondContact O-CB 3.46Å; I124-L128 PolarHBondContact O-N 3.45Å; L128-Y140 HydrophobicContact CD1-CD2 3.66Å; L128-Y140 HydrophobicContact CD1-CE2 4.07Å; L128-F144 HydrophobicContact CD1-CE2 4.07Å; L128-F144 HydrophobicContact CD1-CZ 4.14Å; L128-F144 HydrophobicContact CD2-CE2 4.49Å; L128-F144 HydrophobicContact CD2-CZ 3.9Å; L128-F144 HydrophobicContact CG-CE2 4.42Å; L128-F144 HydrophobicContact CG-CZ 3.98Å |
| 129 | G | 92.9 | Very high | 94.1 | Very high | 16 Ų | 16 | 51.4 Ų | 51.4 | 17% | 0.165 | 28% | 0.279 | C | S | . | . | trans | 78.7 | -155.5 | -169.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q125 H162 | Q125-G129 PolarHBondContact NE2-O 3.09Å; Q125-G129 VanDerWaalsContact O-CA 3.3Å; Q125-G129 WeakPolarHBondContact O-CA 3.47Å; Q125-G129 PolarHBondContact O-N 3.4Å; Q125-G129 PolarHBondContact OE1-O 3.39Å; G129-H162 PolarHBondContact O-NE2 3.4Å | ||
| 130 | D | 94.3 | Very high | 93.9 | Very high | 75 Ų | 75 | 52.5 Ų | 52.5 | 40% | 0.401 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -66 | 148.2 | -178.2 | -76.4 | -19.8 | 0 | 0 | 0 | 112.2 | Q125 D132 S167 M168 | Q125-D130 PolarHBondContact NE2-OD1 2.82Å; D130-D132 PolarHBondContact O-N 3.14Å; D130-D132 VanDerWaalsContact O-N 3.13Å; D130-S167 PolarHBondContact OD1-N 3.26Å; D130-S167 WeakPolarHBondContact OD2-CA 3.41Å; D130-S167 PolarHBondContact OD2-N 3.09Å; D130-M168 PolarHBondContact OD1-N 3.33Å |
| 131 | Y | 95.1 | Very high | 93.7 | Very high | 68 Ų | 68 | 52.3 Ų | 52.3 | 27% | 0.267 | 28% | 0.282 | S | S | . | . | trans | -63 | 115.7 | 174.5 | 174.3 | -95.6 | 0 | 0 | 0 | 112.1 | P133 H136 Y140 K163 | Y131-P133 HydrophobicContact CE1-CB 3.92Å; Y131-P133 HydrophobicContact CE1-CG 4.47Å; Y131-H136 HydrophobicContact CD2-CB 3.85Å; Y131-H136 AromaticContact CD2-ND1 3.77Å; Y131-H136 HydrophobicContact CE2-CB 3.58Å; Y131-Y140 HydrophobicContact CD2-CE1 4.43Å; Y131-Y140 HydrophobicContact CE2-CE1 4.19Å; Y131-K163 HydrophobicContact CD1-CB 4.49Å; Y131-K163 HydrophobicContact CD1-CG 3.8Å; Y131-K163 HydrophobicContact CD2-CG 3.72Å; Y131-K163 HydrophobicContact CE1-CD 4.44Å; Y131-K163 HydrophobicContact CE1-CG 3.96Å; Y131-K163 HydrophobicContact CE2-CD 4.29Å; Y131-K163 VanDerWaalsContact CE2-CE 3.49Å; Y131-K163 HydrophobicContact CE2-CG 3.86Å; Y131-K163 HydrophobicContact CG-CB 4.46Å; Y131-K163 HydrophobicContact CG-CG 3.67Å | ||
| 132 | D | 93.3 | Very high | 93.4 | Very high | 56 Ų | 56 | 55 Ų | 55 | 30% | 0.299 | 30% | 0.3 | S | S | . | . | trans | -105.6 | 119.5 | 167.4 | -172.8 | -25.7 | 0 | 0 | 0 | 111.5 | D130 E134 L135 H136 | D130-D132 PolarHBondContact O-N 3.14Å; D130-D132 VanDerWaalsContact O-N 3.13Å; D132-E134 VanDerWaalsContact C-N 3.27Å; D132-E134 PolarHBondContact O-N 2.98Å; D132-E134 WeakPolarHBondContact OD1-CB 3.38Å; D132-E134 PolarHBondContact OD1-N 3.23Å; D132-L135 HydrophobicContact CB-CB 4.14Å; D132-L135 HydrophobicContact CB-CD1 4.12Å; D132-L135 HydrophobicContact CB-CG 4.2Å; D132-L135 PolarHBondContact O-N 2.6Å; D132-H136 PolarHBondContact N-CE1 2.73Å; D132-H136 PolarHBondContact N-ND1 3.07Å; D132-H136 VanDerWaalsContact O-CB 3.23Å; D132-H136 WeakPolarHBondContact O-CB 3.32Å; D132-H136 PolarHBondContact O-N 2.9Å; D132-H136 PolarHBondContact O-ND1 2.97Å | ||
| 133 | P | 92.1 | Very high | 92.9 | Very high | 93 Ų | 93 | 57 Ų | 57 | 60% | 0.604 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -19 | 178.4 | 29.1 | -35.5 | 0 | 0 | 0 | 114.7 | Y131 | Y131-P133 HydrophobicContact CE1-CB 3.92Å; Y131-P133 HydrophobicContact CE1-CG 4.47Å |
| 134 | E | 92.4 | Very high | 92.6 | Very high | 180 Ų | 180 | 57.5 Ų | 57.5 | 84% | 0.841 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | -32.3 | 176.7 | -60.9 | -171.3 | 174.6 | 0 | 0 | 111.6 | D132 | D132-E134 VanDerWaalsContact C-N 3.27Å; D132-E134 PolarHBondContact O-N 2.98Å; D132-E134 WeakPolarHBondContact OD1-CB 3.38Å; D132-E134 PolarHBondContact OD1-N 3.23Å |
| 135 | L | 89.6 | Confident | 92.4 | Very high | 135 Ų | 135 | 65.7 Ų | 65.7 | 71% | 0.707 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | -35.1 | -179.7 | -59.9 | 176.8 | 0 | 0 | 0 | 112.8 | D132 G137 | D132-L135 HydrophobicContact CB-CB 4.14Å; D132-L135 HydrophobicContact CB-CD1 4.12Å; D132-L135 HydrophobicContact CB-CG 4.2Å; D132-L135 PolarHBondContact O-N 2.6Å; L135-G137 PolarHBondContact O-N 3.37Å |
| 136 | H | 92.7 | Very high | 92.3 | Very high | 21 Ų | 21 | 66.4 Ų | 66.4 | 10% | 0.097 | 35% | 0.353 | C | S | . | . | trans | -97.4 | 99 | -174.1 | -58.3 | 114.6 | 0 | 0 | 0 | 111.5 | Y131 D132 Y140 | Y131-H136 HydrophobicContact CD2-CB 3.85Å; Y131-H136 AromaticContact CD2-ND1 3.77Å; Y131-H136 HydrophobicContact CE2-CB 3.58Å; D132-H136 PolarHBondContact N-CE1 2.73Å; D132-H136 PolarHBondContact N-ND1 3.07Å; D132-H136 VanDerWaalsContact O-CB 3.23Å; D132-H136 WeakPolarHBondContact O-CB 3.32Å; D132-H136 PolarHBondContact O-N 2.9Å; D132-H136 PolarHBondContact O-ND1 2.97Å; H136-Y140 HydrophobicContact CB-CD1 3.78Å; H136-Y140 HydrophobicContact CB-CD2 4.14Å; H136-Y140 HydrophobicContact CB-CE1 3.94Å; H136-Y140 HydrophobicContact CB-CE2 4.3Å; H136-Y140 HydrophobicContact CB-CG 3.86Å; H136-Y140 AromaticContact CD2-CD2 3.48Å; H136-Y140 VanDerWaalsContact CD2-CD2 3.48Å; H136-Y140 WeakPolarHBondContact CD2-CD2 3.23Å; H136-Y140 AromaticContact CD2-CE2 3.84Å; H136-Y140 AromaticContact CD2-CG 3.92Å | ||
| 137 | G | 88.1 | Confident | 92.3 | Very high | 51 Ų | 51 | 66.8 Ų | 66.8 | 53% | 0.526 | 36% | 0.356 | S | S | . | . | trans | -65.3 | -168.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | L135 D139 Y140 | L135-G137 PolarHBondContact O-N 3.37Å; G137-D139 VanDerWaalsContact C-N 3.32Å; G137-D139 PolarHBondContact O-N 3.09Å; G137-Y140 WeakPolarHBondContact O-CD1 3.37Å | ||
| 138 | M | 87.3 | Confident | 92.1 | Very high | 165 Ų | 165 | 69.3 Ų | 69.3 | 81% | 0.813 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -20.2 | -175.5 | -65.7 | -173.4 | 69 | 0 | 0 | 114.7 | M159 | M138-M159 VanDerWaalsContact O-CE 3.26Å; M138-M159 WeakPolarHBondContact O-CE 3.26Å |
| 139 | D | 90.4 | Very high | 92 | Very high | 102 Ų | 102 | 73.3 Ų | 73.3 | 55% | 0.545 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -129.2 | 24.1 | -171.3 | -60.8 | -44.7 | 0 | 0 | 0 | 112.8 | G137 V141 S142 | G137-D139 VanDerWaalsContact C-N 3.32Å; G137-D139 PolarHBondContact O-N 3.09Å; D139-V141 PolarHBondContact O-N 3.04Å; D139-S142 WeakPolarHBondContact O-CB 3.12Å; D139-S142 PolarHBondContact O-N 2.89Å; D139-S142 PolarHBondContact O-OG 3.02Å |
| 140 | Y | 93.4 | Very high | 92 | Very high | 26 Ų | 26 | 75 Ų | 75 | 10% | 0.102 | 40% | 0.4 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -16.4 | -174.4 | 70.7 | -78.7 | 0 | 0 | 0 | 114.5 | I124 L128 Y131 H136 G137 M159 H162 | I124-Y140 HydrophobicContact CG2-CD2 4.44Å; I124-Y140 HydrophobicContact CG2-CE2 3.72Å; L128-Y140 HydrophobicContact CD1-CD2 3.66Å; L128-Y140 HydrophobicContact CD1-CE2 4.07Å; Y131-Y140 HydrophobicContact CD2-CE1 4.43Å; Y131-Y140 HydrophobicContact CE2-CE1 4.19Å; H136-Y140 HydrophobicContact CB-CD1 3.78Å; H136-Y140 HydrophobicContact CB-CD2 4.14Å; H136-Y140 HydrophobicContact CB-CE1 3.94Å; H136-Y140 HydrophobicContact CB-CE2 4.3Å; H136-Y140 HydrophobicContact CB-CG 3.86Å; H136-Y140 AromaticContact CD2-CD2 3.48Å; H136-Y140 VanDerWaalsContact CD2-CD2 3.48Å; H136-Y140 WeakPolarHBondContact CD2-CD2 3.23Å; H136-Y140 AromaticContact CD2-CE2 3.84Å; H136-Y140 AromaticContact CD2-CG 3.92Å; G137-Y140 WeakPolarHBondContact O-CD1 3.37Å; Y140-M159 HydrophobicContact CD1-CG 4.25Å; Y140-M159 HydrophobicContact CD1-SD 3.72Å; Y140-M159 HydrophobicContact CE1-CB 4.25Å; Y140-M159 HydrophobicContact CE1-CG 3.5Å; Y140-M159 VanDerWaalsContact CE1-CG 3.5Å; Y140-M159 HydrophobicContact CE1-SD 3.41Å; Y140-M159 WeakPolarHBondContact CE1-SD 3.4Å; Y140-H162 AromaticContact CE2-CE1 3.87Å; Y140-H162 AromaticContact CE2-ND1 3.41Å; Y140-H162 WeakPolarHBondContact CE2-ND1 3.48Å; Y140-H162 AromaticContact CZ-ND1 3.49Å; Y140-H162 PolarHBondContact OH-ND1 3.23Å |
| 141 | V | 94.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 74.6 Ų | 74.6 | 0% | 0 | 40% | 0.4 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -22.3 | 177.1 | 174.6 | 0 | 0 | 0 | 0 | 112.3 | I124 D139 D143 F144 L146 E155 V158 M159 | I124-V141 HydrophobicContact CD1-CB 4.49Å; I124-V141 HydrophobicContact CD1-CG1 4.18Å; I124-V141 HydrophobicContact CD1-CG2 4.1Å; I124-V141 HydrophobicContact CG1-CG1 4.37Å; I124-V141 HydrophobicContact CG1-CG2 4.02Å; I124-V141 HydrophobicContact CG2-CG2 4.49Å; D139-V141 PolarHBondContact O-N 3.04Å; V141-D143 PolarHBondContact O-N 3.38Å; V141-D143 VanDerWaalsContact O-N 3.09Å; V141-F144 WeakPolarHBondContact O-CB 3.3Å; V141-F144 PolarHBondContact O-N 2.69Å; V141-L146 HydrophobicContact CG1-CD1 3.65Å; V141-E155 HydrophobicContact CG1-CB 4.28Å; V141-E155 HydrophobicContact CG1-CG 4.19Å; V141-V158 HydrophobicContact CG1-CB 4.28Å; V141-V158 HydrophobicContact CG1-CG1 3.84Å; V141-V158 HydrophobicContact CG2-CG1 4.09Å; V141-M159 HydrophobicContact CB-CG 4.09Å; V141-M159 HydrophobicContact CG2-CG 3.34Å; V141-M159 HydrophobicContact CG2-SD 4.23Å |
| 142 | S | 92.1 | Very high | 92.2 | Very high | 55 Ų | 55 | 78.5 Ų | 78.5 | 39% | 0.385 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -18.6 | -174.5 | -50.4 | 0 | 0 | 0 | 0 | 113.6 | D139 F144 E155 | D139-S142 WeakPolarHBondContact O-CB 3.12Å; D139-S142 PolarHBondContact O-N 2.89Å; D139-S142 PolarHBondContact O-OG 3.02Å; S142-F144 PolarHBondContact O-N 3.41Å; S142-E155 PolarHBondContact OG-OE2 3.47Å |
| 143 | D | 87 | Confident | 92.4 | Very high | 66 Ų | 66 | 82.1 Ų | 82.1 | 35% | 0.353 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -11.7 | 174.1 | -78.5 | -33.6 | 0 | 0 | 0 | 113.7 | V141 S327 | V141-D143 PolarHBondContact O-N 3.38Å; V141-D143 VanDerWaalsContact O-N 3.09Å; D143-S327 VanDerWaalsContact O-CB 3.29Å; D143-S327 WeakPolarHBondContact O-CB 3.21Å; D143-S327 PolarHBondContact O-OG 3.14Å |
| 144 | F | 91.9 | Very high | 92.6 | Very high | 20 Ų | 20 | 77.9 Ų | 77.9 | 9% | 0.088 | 41% | 0.406 | C | S | . | . | S | Bend | trans | -100.3 | 132.7 | 179.6 | -63 | -96 | 0 | 0 | 0 | 110.8 | I124 E127 L128 V141 S142 L146 Q150 | I124-F144 HydrophobicContact CD1-CB 3.93Å; I124-F144 HydrophobicContact CD1-CD1 3.89Å; I124-F144 HydrophobicContact CD1-CD2 3.34Å; I124-F144 HydrophobicContact CD1-CE1 4.22Å; I124-F144 HydrophobicContact CD1-CE2 3.72Å; I124-F144 HydrophobicContact CD1-CG 3.43Å; I124-F144 VanDerWaalsContact CD1-CG 3.43Å; I124-F144 HydrophobicContact CD1-CZ 4.14Å; E127-F144 HydrophobicContact CB-CE1 3.75Å; E127-F144 HydrophobicContact CB-CZ 4.21Å; E127-F144 HydrophobicContact CG-CE1 3.94Å; L128-F144 HydrophobicContact CD1-CE2 4.07Å; L128-F144 HydrophobicContact CD1-CZ 4.14Å; L128-F144 HydrophobicContact CD2-CE2 4.49Å; L128-F144 HydrophobicContact CD2-CZ 3.9Å; L128-F144 HydrophobicContact CG-CE2 4.42Å; L128-F144 HydrophobicContact CG-CZ 3.98Å; V141-F144 WeakPolarHBondContact O-CB 3.3Å; V141-F144 PolarHBondContact O-N 2.69Å; S142-F144 PolarHBondContact O-N 3.41Å; F144-L146 HydrophobicContact CB-CD2 3.86Å; F144-L146 HydrophobicContact CB-CG 4.07Å; F144-L146 PolarHBondContact O-N 3.35Å; F144-Q150 PolarHBondContact O-NE2 3.47Å; F144-Q150 PolarHBondContact O-OE1 3.08Å; F144-Q150 VanDerWaalsContact O-OE1 3.05Å |
| 145 | K | 92.8 | Very high | 92.9 | Very high | 171 Ų | 171 | 70.4 Ų | 70.4 | 74% | 0.743 | 37% | 0.371 | S | S | * | . | trans | -88.7 | 96 | 171.9 | -66.6 | -178 | -178.9 | 177.8 | 0 | 109.2 | V105 | V105-K145 HydrophobicContact CG2-CB 4.27Å; V105-K145 WeakPolarHBondContact CG2-O 3.11Å | ||
| 146 | L | 94.7 | Very high | 93.3 | Very high | 15 Ų | 15 | 69.7 Ų | 69.7 | 8% | 0.079 | 36% | 0.364 | C | S | . | . | trans | -96.4 | -26.5 | -175.7 | -56.8 | 180 | 0 | 0 | 0 | 112.8 | I104 T123 V141 F144 V158 | I104-L146 WeakPolarHBondContact CG2-O 3.24Å; T123-L146 HydrophobicContact CG2-CD2 3.81Å; V141-L146 HydrophobicContact CG1-CD1 3.65Å; F144-L146 HydrophobicContact CB-CD2 3.86Å; F144-L146 HydrophobicContact CB-CG 4.07Å; F144-L146 PolarHBondContact O-N 3.35Å; L146-V158 HydrophobicContact CD1-CB 4.43Å; L146-V158 HydrophobicContact CD1-CG1 4Å; L146-V158 HydrophobicContact CD1-CG2 3.92Å | ||
| 147 | A | 95.2 | Very high | 93.6 | Very high | 8 Ų | 8 | 72.1 Ų | 72.1 | 7% | 0.066 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -146.1 | 158.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L116 N149 L154 | L116-A147 HydrophobicContact CD1-CB 3.89Å; L116-A147 HydrophobicContact CD2-CB 4.03Å; A147-N149 VanDerWaalsContact C-N 3.31Å; A147-N149 PolarHBondContact O-N 2.78Å; A147-L154 HydrophobicContact CB-CD2 3.77Å |
| 148 | P | 91.8 | Very high | 94 | Very high | 72 Ų | 72 | 69.7 Ų | 69.7 | 47% | 0.468 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -38.9 | 174.9 | -20.4 | 28.9 | 0 | 0 | 0 | 113.5 | I104 V105 | I104-P148 WeakPolarHBondContact O-CD 3.35Å; I104-P148 VanDerWaalsContact O-CG 3.29Å; I104-P148 WeakPolarHBondContact O-CG 3.44Å; V105-P148 WeakPolarHBondContact O-CG 3.41Å |
| 149 | N | 89.8 | Confident | 94.6 | Very high | 144 Ų | 144 | 62.7 Ų | 62.7 | 77% | 0.77 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.5 | 66.7 | -179.7 | -63 | -33.6 | 0 | 0 | 0 | 109 | A147 T151 | A147-N149 VanDerWaalsContact C-N 3.31Å; A147-N149 PolarHBondContact O-N 2.78Å; N149-T151 PolarHBondContact O-N 2.96Å |
| 150 | Q | 93 | Very high | 94.9 | Very high | 53 Ų | 53 | 63.1 Ų | 63.1 | 25% | 0.248 | 31% | 0.313 | C | S | . | . | trans | -64.8 | 127.8 | -178.2 | -173.4 | 160.2 | -43.4 | 0 | 0 | 111 | F144 L154 E155 | F144-Q150 PolarHBondContact O-NE2 3.47Å; F144-Q150 PolarHBondContact O-OE1 3.08Å; F144-Q150 VanDerWaalsContact O-OE1 3.05Å; Q150-L154 HydrophobicContact CG-CD2 4.47Å; Q150-E155 HydrophobicContact CG-CG 4.02Å; Q150-E155 WeakPolarHBondContact CG-OE1 3.06Å; Q150-E155 PolarHBondContact NE2-OE1 3.04Å | ||
| 151 | T | 96.4 | Very high | 95.1 | Very high | 66 Ų | 66 | 63.7 Ų | 63.7 | 41% | 0.405 | 32% | 0.318 | S | S | . | . | trans | -113 | 156.4 | 179.4 | 63 | 0 | 0 | 0 | 0 | 110.2 | N149 E153 L154 E155 | N149-T151 PolarHBondContact O-N 2.96Å; T151-E153 VanDerWaalsContact C-N 3.25Å; T151-E153 PolarHBondContact O-N 3.38Å; T151-L154 WeakPolarHBondContact O-CB 3.2Å; T151-L154 PolarHBondContact O-N 3.05Å; T151-L154 VanDerWaalsContact O-N 3.11Å; T151-L154 PolarHBondContact OG1-N 3.41Å; T151-E155 PolarHBondContact O-N 2.89Å; T151-E155 VanDerWaalsContact O-N 3.12Å | ||
| 152 | K | 96.5 | Very high | 95.3 | Very high | 149 Ų | 149 | 63.7 Ų | 63.7 | 65% | 0.648 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -58.3 | -38.9 | 174 | -71.3 | -162.4 | 170 | -153.8 | 0 | 112.6 | L154 E155 E156 | K152-L154 VanDerWaalsContact C-N 3.28Å; K152-L154 PolarHBondContact O-N 2.94Å; K152-E155 WeakPolarHBondContact O-CB 3.09Å; K152-E155 PolarHBondContact O-N 2.99Å; K152-E155 VanDerWaalsContact O-N 3.11Å; K152-E156 WeakPolarHBondContact O-CG 3.29Å; K152-E156 PolarHBondContact O-N 3.27Å |
| 153 | E | 97.6 | Very high | 95.5 | Very high | 133 Ų | 133 | 66.2 Ų | 66.2 | 62% | 0.621 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -60.5 | -37.3 | 176.5 | -168.6 | -179.4 | -174.4 | 0 | 0 | 112.2 | F113 T151 K157 | F113-E153 HydrophobicContact CE2-CG 4.45Å; F113-E153 HydrophobicContact CZ-CG 4.05Å; T151-E153 VanDerWaalsContact C-N 3.25Å; T151-E153 PolarHBondContact O-N 3.38Å; E153-K157 PolarHBondContact O-N 3.5Å; E153-K157 VanDerWaalsContact O-N 3.1Å |
| 154 | L | 97.8 | Very high | 96 | Very high | 3 Ų | 3 | 66.5 Ų | 66.5 | 2% | 0.016 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -66 | -46.1 | 173.1 | 177 | 62.5 | 0 | 0 | 0 | 111 | F113 L116 A117 A147 Q150 T151 K152 E156 K157 V158 | F113-L154 HydrophobicContact CD2-CD1 4.42Å; F113-L154 HydrophobicContact CE2-CB 3.81Å; F113-L154 HydrophobicContact CE2-CD1 4.14Å; F113-L154 HydrophobicContact CZ-CB 4.44Å; F113-L154 HydrophobicContact CZ-CD1 4.5Å; L116-L154 HydrophobicContact CB-CD1 3.81Å; L116-L154 HydrophobicContact CB-CD2 4.2Å; L116-L154 HydrophobicContact CD1-CD2 4.48Å; A117-L154 HydrophobicContact CB-CD1 3.93Å; A147-L154 HydrophobicContact CB-CD2 3.77Å; Q150-L154 HydrophobicContact CG-CD2 4.47Å; T151-L154 WeakPolarHBondContact O-CB 3.2Å; T151-L154 PolarHBondContact O-N 3.05Å; T151-L154 VanDerWaalsContact O-N 3.11Å; T151-L154 PolarHBondContact OG1-N 3.41Å; K152-L154 VanDerWaalsContact C-N 3.28Å; K152-L154 PolarHBondContact O-N 2.94Å; L154-E156 PolarHBondContact O-N 3.24Å; L154-K157 PolarHBondContact O-N 3.11Å; L154-V158 HydrophobicContact CD1-CG2 4.21Å; L154-V158 HydrophobicContact CG-CG2 4.41Å; L154-V158 WeakPolarHBondContact O-CB 3.42Å; L154-V158 VanDerWaalsContact O-CG2 3.23Å; L154-V158 WeakPolarHBondContact O-CG2 3.22Å; L154-V158 PolarHBondContact O-N 2.75Å |
| 155 | E | 97.9 | Very high | 96.2 | Very high | 24 Ų | 24 | 67 Ų | 67 | 11% | 0.112 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.3 | -45.1 | 179 | -66.1 | 178.1 | -175 | 0 | 0 | 111.6 | V141 S142 Q150 T151 K152 K157 V158 M159 | V141-E155 HydrophobicContact CG1-CB 4.28Å; V141-E155 HydrophobicContact CG1-CG 4.19Å; S142-E155 PolarHBondContact OG-OE2 3.47Å; Q150-E155 HydrophobicContact CG-CG 4.02Å; Q150-E155 WeakPolarHBondContact CG-OE1 3.06Å; Q150-E155 PolarHBondContact NE2-OE1 3.04Å; T151-E155 PolarHBondContact O-N 2.89Å; T151-E155 VanDerWaalsContact O-N 3.12Å; K152-E155 WeakPolarHBondContact O-CB 3.09Å; K152-E155 PolarHBondContact O-N 2.99Å; K152-E155 VanDerWaalsContact O-N 3.11Å; E155-K157 VanDerWaalsContact C-N 3.34Å; E155-K157 PolarHBondContact O-N 2.93Å; E155-V158 PolarHBondContact O-N 2.9Å; E155-M159 VanDerWaalsContact O-CG 3.32Å; E155-M159 WeakPolarHBondContact O-CG 3.23Å; E155-M159 PolarHBondContact O-N 2.85Å |
| 156 | E | 97.6 | Very high | 96 | Very high | 119 Ų | 119 | 69.7 Ų | 69.7 | 56% | 0.556 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -58.1 | -45.2 | 174.7 | -73.5 | 171 | -168.6 | 0 | 0 | 111.7 | K152 L154 M159 E160 | K152-E156 WeakPolarHBondContact O-CG 3.29Å; K152-E156 PolarHBondContact O-N 3.27Å; L154-E156 PolarHBondContact O-N 3.24Å; E156-M159 HydrophobicContact CG-CE 4.32Å; E156-M159 PolarHBondContact O-N 3.44Å; E156-E160 WeakPolarHBondContact O-CB 3.45Å; E156-E160 PolarHBondContact O-N 2.88Å |
| 157 | K | 98.4 | Very high | 95.9 | Very high | 73 Ų | 73 | 73.7 Ų | 73.7 | 32% | 0.317 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -68.1 | -37.4 | 179.3 | -166.7 | 53.4 | 167.9 | 178.4 | 0 | 112.7 | F113 A117 E153 L154 E155 E160 L161 | F113-K157 HydrophobicContact CE1-CG 4.49Å; F113-K157 HydrophobicContact CZ-CB 4.38Å; A117-K157 HydrophobicContact CB-CB 4.1Å; A117-K157 HydrophobicContact CB-CG 3.71Å; E153-K157 PolarHBondContact O-N 3.5Å; E153-K157 VanDerWaalsContact O-N 3.1Å; L154-K157 PolarHBondContact O-N 3.11Å; E155-K157 VanDerWaalsContact C-N 3.34Å; E155-K157 PolarHBondContact O-N 2.93Å; K157-E160 HydrophobicContact CD-CB 4.49Å; K157-E160 WeakPolarHBondContact CD-OE2 3.45Å; K157-E160 IonicContact NZ-OE1 2.74Å; K157-E160 PolarHBondContact NZ-OE1 3.42Å; K157-E160 IonicContact NZ-OE2 2.75Å; K157-E160 PolarHBondContact NZ-OE2 2.9Å; K157-E160 PolarHBondContact O-N 2.96Å; K157-L161 WeakPolarHBondContact O-CG 3.48Å; K157-L161 PolarHBondContact O-N 2.97Å; K157-L161 VanDerWaalsContact O-N 3.07Å |
| 158 | V | 98.5 | Very high | 96 | Very high | 0 Ų | 0 | 75.2 Ų | 75.2 | 0% | 0 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -61.3 | -45.5 | 173.1 | 168.1 | 0 | 0 | 0 | 0 | 110.4 | I124 V141 L146 L154 E155 L161 H162 | I124-V158 HydrophobicContact CG1-CG1 3.69Å; V141-V158 HydrophobicContact CG1-CB 4.28Å; V141-V158 HydrophobicContact CG1-CG1 3.84Å; V141-V158 HydrophobicContact CG2-CG1 4.09Å; L146-V158 HydrophobicContact CD1-CB 4.43Å; L146-V158 HydrophobicContact CD1-CG1 4Å; L146-V158 HydrophobicContact CD1-CG2 3.92Å; L154-V158 HydrophobicContact CD1-CG2 4.21Å; L154-V158 HydrophobicContact CG-CG2 4.41Å; L154-V158 WeakPolarHBondContact O-CB 3.42Å; L154-V158 VanDerWaalsContact O-CG2 3.23Å; L154-V158 WeakPolarHBondContact O-CG2 3.22Å; L154-V158 PolarHBondContact O-N 2.75Å; E155-V158 PolarHBondContact O-N 2.9Å; V158-L161 PolarHBondContact O-N 3.26Å; V158-H162 WeakPolarHBondContact O-CB 3.24Å; V158-H162 PolarHBondContact O-N 3.45Å |
| 159 | M | 98 | Very high | 96.1 | Very high | 18 Ų | 18 | 75 Ų | 75 | 9% | 0.089 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -64.5 | -40.1 | 177.5 | -72.1 | -170.7 | -72.4 | 0 | 0 | 112.6 | M138 Y140 V141 E155 E156 H162 K163 | M138-M159 VanDerWaalsContact O-CE 3.26Å; M138-M159 WeakPolarHBondContact O-CE 3.26Å; Y140-M159 HydrophobicContact CD1-CG 4.25Å; Y140-M159 HydrophobicContact CD1-SD 3.72Å; Y140-M159 HydrophobicContact CE1-CB 4.25Å; Y140-M159 HydrophobicContact CE1-CG 3.5Å; Y140-M159 VanDerWaalsContact CE1-CG 3.5Å; Y140-M159 HydrophobicContact CE1-SD 3.41Å; Y140-M159 WeakPolarHBondContact CE1-SD 3.4Å; V141-M159 HydrophobicContact CB-CG 4.09Å; V141-M159 HydrophobicContact CG2-CG 3.34Å; V141-M159 HydrophobicContact CG2-SD 4.23Å; E155-M159 VanDerWaalsContact O-CG 3.32Å; E155-M159 WeakPolarHBondContact O-CG 3.23Å; E155-M159 PolarHBondContact O-N 2.85Å; E156-M159 HydrophobicContact CG-CE 4.32Å; E156-M159 PolarHBondContact O-N 3.44Å; M159-H162 PolarHBondContact O-N 2.89Å; M159-K163 VanDerWaalsContact O-CG 3.23Å; M159-K163 WeakPolarHBondContact O-CG 3.2Å; M159-K163 PolarHBondContact O-N 3.03Å |
| 160 | E | 97.7 | Very high | 96.3 | Very high | 110 Ų | 110 | 70.1 Ų | 70.1 | 51% | 0.514 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -59.1 | -46.9 | 175.3 | -171.6 | -162.3 | 137.3 | 0 | 0 | 111.1 | E156 K157 S164 | E156-E160 WeakPolarHBondContact O-CB 3.45Å; E156-E160 PolarHBondContact O-N 2.88Å; K157-E160 HydrophobicContact CD-CB 4.49Å; K157-E160 WeakPolarHBondContact CD-OE2 3.45Å; K157-E160 IonicContact NZ-OE1 2.74Å; K157-E160 PolarHBondContact NZ-OE1 3.42Å; K157-E160 IonicContact NZ-OE2 2.75Å; K157-E160 PolarHBondContact NZ-OE2 2.9Å; K157-E160 PolarHBondContact O-N 2.96Å; E160-S164 PolarHBondContact O-N 3.14Å |
| 161 | L | 98.3 | Very high | 96.4 | Very high | 39 Ų | 39 | 68.7 Ų | 68.7 | 20% | 0.204 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -66.8 | -43.2 | 177.8 | -71 | 172.9 | 0 | 0 | 0 | 112 | A117 S121 K157 V158 K163 S164 | A117-L161 HydrophobicContact CB-CD1 4.16Å; S121-L161 VanDerWaalsContact CB-CB 3.46Å; K157-L161 WeakPolarHBondContact O-CG 3.48Å; K157-L161 PolarHBondContact O-N 2.97Å; K157-L161 VanDerWaalsContact O-N 3.07Å; V158-L161 PolarHBondContact O-N 3.26Å; L161-K163 VanDerWaalsContact C-N 3.32Å; L161-K163 PolarHBondContact O-N 3.08Å; L161-S164 WeakPolarHBondContact O-CB 3.38Å; L161-S164 PolarHBondContact O-N 3.41Å; L161-S164 PolarHBondContact O-OG 3.44Å |
| 162 | H | 97.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -58 | -43.8 | 177.7 | -178.6 | -139 | 0 | 0 | 0 | 111.9 | I124 Q125 G129 Y140 V158 M159 S164 Y165 | I124-H162 HydrophobicContact CG2-CB 4.39Å; I124-H162 WeakPolarHBondContact CG2-ND1 3.36Å; Q125-H162 PolarHBondContact OE1-CD2 2.93Å; Q125-H162 PolarHBondContact OE1-NE2 3.15Å; G129-H162 PolarHBondContact O-NE2 3.4Å; Y140-H162 AromaticContact CE2-CE1 3.87Å; Y140-H162 AromaticContact CE2-ND1 3.41Å; Y140-H162 WeakPolarHBondContact CE2-ND1 3.48Å; Y140-H162 AromaticContact CZ-ND1 3.49Å; Y140-H162 PolarHBondContact OH-ND1 3.23Å; V158-H162 WeakPolarHBondContact O-CB 3.24Å; V158-H162 PolarHBondContact O-N 3.45Å; M159-H162 PolarHBondContact O-N 2.89Å; H162-S164 PolarHBondContact O-N 3.15Å; H162-Y165 PolarHBondContact O-N 3.44Å |
| 163 | K | 97.1 | Very high | 96.4 | Very high | 108 Ų | 108 | 63.2 Ų | 63.2 | 47% | 0.47 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.5 | -22.1 | 175.3 | -71.3 | 169 | -176.5 | -179.9 | 0 | 113.9 | Y131 M159 L161 | Y131-K163 HydrophobicContact CD1-CB 4.49Å; Y131-K163 HydrophobicContact CD1-CG 3.8Å; Y131-K163 HydrophobicContact CD2-CG 3.72Å; Y131-K163 HydrophobicContact CE1-CD 4.44Å; Y131-K163 HydrophobicContact CE1-CG 3.96Å; Y131-K163 HydrophobicContact CE2-CD 4.29Å; Y131-K163 VanDerWaalsContact CE2-CE 3.49Å; Y131-K163 HydrophobicContact CE2-CG 3.86Å; Y131-K163 HydrophobicContact CG-CB 4.46Å; Y131-K163 HydrophobicContact CG-CG 3.67Å; M159-K163 VanDerWaalsContact O-CG 3.23Å; M159-K163 WeakPolarHBondContact O-CG 3.2Å; M159-K163 PolarHBondContact O-N 3.03Å; L161-K163 VanDerWaalsContact C-N 3.32Å; L161-K163 PolarHBondContact O-N 3.08Å |
| 164 | S | 97.1 | Very high | 96.4 | Very high | 72 Ų | 72 | 56.9 Ų | 56.9 | 50% | 0.503 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -82.2 | -20.7 | -178.3 | 80.2 | 0 | 0 | 0 | 0 | 113.2 | E160 L161 H162 | E160-S164 PolarHBondContact O-N 3.14Å; L161-S164 WeakPolarHBondContact O-CB 3.38Å; L161-S164 PolarHBondContact O-N 3.41Å; L161-S164 PolarHBondContact O-OG 3.44Å; H162-S164 PolarHBondContact O-N 3.15Å |
| 165 | Y | 96.9 | Very high | 96.3 | Very high | 29 Ų | 29 | 59.4 Ų | 59.4 | 11% | 0.114 | 30% | 0.298 | C | S | . | . | trans | -72.4 | 135 | 178.7 | -57 | -36.8 | 0 | 0 | 0 | 110.4 | S121 Y122 Q125 H162 M168 | S121-Y165 PolarHBondContact OG-OH 3.08Å; Y122-Y165 HydrophobicContact CD1-CE2 4.04Å; Y122-Y165 AromaticContact CD1-CZ 3.82Å; Y122-Y165 WeakPolarHBondContact CD1-OH 3.46Å; Y122-Y165 AromaticContact CE1-CE1 3.97Å; Y122-Y165 HydrophobicContact CE1-CE1 3.97Å; Y122-Y165 HydrophobicContact CE1-CE2 4.22Å; Y122-Y165 AromaticContact CE1-CZ 3.57Å; Y122-Y165 VanDerWaalsContact CE1-OH 3.22Å; Y122-Y165 WeakPolarHBondContact CE1-OH 3.11Å; Q125-Y165 HydrophobicContact CB-CD2 4.01Å; Q125-Y165 HydrophobicContact CB-CE2 4.3Å; Q125-Y165 HydrophobicContact CG-CD2 4.1Å; H162-Y165 PolarHBondContact O-N 3.44Å; Y165-M168 HydrophobicContact CD1-CE 3.84Å; Y165-M168 HydrophobicContact CD1-SD 4.42Å; Y165-M168 HydrophobicContact CD2-SD 4.35Å; Y165-M168 HydrophobicContact CE1-CE 4.16Å; Y165-M168 HydrophobicContact CG-CE 4.18Å; Y165-M168 HydrophobicContact CG-SD 4.24Å | ||
| 166 | R | 88.7 | Confident | 96.4 | Very high | 229 Ų | 229 | 62 Ų | 62 | 86% | 0.864 | 31% | 0.31 | S | S | * | . | trans | -123.1 | 115.3 | 177 | -67 | -169.7 | -179.5 | 158.2 | 1.3 | 109.1 | M168 | R166-M168 PolarHBondContact O-N 3.47Š| ||
| 167 | S | 91.6 | Very high | 96.4 | Very high | 98 Ų | 98 | 56.3 Ų | 56.3 | 69% | 0.685 | 28% | 0.284 | S | S | * | . | S | Bend | trans | 58.1 | 33.8 | 175.5 | -48 | 0 | 0 | 0 | 0 | 113.1 | D130 | D130-S167 PolarHBondContact OD1-N 3.26Å; D130-S167 WeakPolarHBondContact OD2-CA 3.41Å; D130-S167 PolarHBondContact OD2-N 3.09Å |
| 168 | M | 96.4 | Very high | 96.4 | Very high | 40 Ų | 40 | 52.9 Ų | 52.9 | 20% | 0.197 | 27% | 0.269 | C | S | . | . | trans | -84.1 | 116.2 | 175.3 | -179.4 | 179.3 | -69.9 | 0 | 0 | 108.4 | Y122 Q125 D130 Y165 R166 Q172 A173 | Y122-M168 HydrophobicContact CD1-SD 4.04Å; Y122-M168 HydrophobicContact CE1-CE 4.07Å; Y122-M168 HydrophobicContact CE1-SD 3.99Å; Q125-M168 HydrophobicContact CG-CB 4.19Å; Q125-M168 HydrophobicContact CG-CG 4.11Å; Q125-M168 HydrophobicContact CG-SD 4.03Å; Q125-M168 PolarHBondContact NE2-O 2.83Å; D130-M168 PolarHBondContact OD1-N 3.33Å; Y165-M168 HydrophobicContact CD1-CE 3.84Å; Y165-M168 HydrophobicContact CD1-SD 4.42Å; Y165-M168 HydrophobicContact CD2-SD 4.35Å; Y165-M168 HydrophobicContact CE1-CE 4.16Å; Y165-M168 HydrophobicContact CG-CE 4.18Å; Y165-M168 HydrophobicContact CG-SD 4.24Å; R166-M168 PolarHBondContact O-N 3.47Å; M168-Q172 HydrophobicContact CG-CB 4.1Å; M168-A173 HydrophobicContact CG-CB 4.34Å; M168-A173 HydrophobicContact SD-CB 3.98Å | ||
| 169 | T | 94.7 | Very high | 96.4 | Very high | 68 Ų | 68 | 55 Ų | 55 | 42% | 0.417 | 28% | 0.279 | S | S | . | . | trans | -69.5 | 153.7 | 178.7 | 63.6 | 0 | 0 | 0 | 0 | 111.5 | A171 Q172 A173 | T169-A171 PolarHBondContact O-N 2.78Å; T169-Q172 WeakPolarHBondContact O-CB 3.41Å; T169-Q172 PolarHBondContact O-N 2.94Å; T169-Q172 WeakPolarHBondContact OG1-CB 3.38Å; T169-Q172 VanDerWaalsContact OG1-CD 3.26Å; T169-Q172 VanDerWaalsContact OG1-CG 3.22Å; T169-Q172 WeakPolarHBondContact OG1-CG 3.46Å; T169-Q172 PolarHBondContact OG1-N 3.46Å; T169-Q172 PolarHBondContact OG1-OE1 3.45Å; T169-A173 PolarHBondContact O-N 2.87Å | ||
| 170 | P | 94.8 | Very high | 96.4 | Very high | 42 Ų | 42 | 55.8 Ų | 55.8 | 27% | 0.273 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -54.1 | -36.8 | 174 | -33.1 | 38.9 | 0 | 0 | 0 | 114.7 | S126 A173 D174 R324 | S126-P170 WeakPolarHBondContact O-CB 3.32Å; P170-A173 PolarHBondContact O-N 2.93Å; P170-D174 VanDerWaalsContact O-CG 3.31Å; P170-D174 PolarHBondContact O-N 3.19Å; P170-R324 VanDerWaalsContact CB-CZ 3.41Å; P170-R324 VanDerWaalsContact CB-NE 3.34Å |
| 171 | A | 93.8 | Very high | 96.4 | Very high | 23 Ų | 23 | 50.6 Ų | 50.6 | 19% | 0.19 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -66.9 | -38.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | D90 T169 D174 L175 | D90-A171 HydrophobicContact CB-CB 4.43Å; T169-A171 PolarHBondContact O-N 2.78Å; A171-D174 PolarHBondContact O-N 2.89Å; A171-L175 PolarHBondContact O-N 3.08Å |
| 172 | Q | 95.9 | Very high | 96.3 | Very high | 99 Ų | 99 | 51.4 Ų | 51.4 | 46% | 0.463 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -66.8 | -40.7 | 172.8 | -74.3 | 165.3 | -38.6 | 0 | 0 | 111.6 | M168 T169 D174 L175 E176 | M168-Q172 HydrophobicContact CG-CB 4.1Å; T169-Q172 WeakPolarHBondContact O-CB 3.41Å; T169-Q172 PolarHBondContact O-N 2.94Å; T169-Q172 WeakPolarHBondContact OG1-CB 3.38Å; T169-Q172 VanDerWaalsContact OG1-CD 3.26Å; T169-Q172 VanDerWaalsContact OG1-CG 3.22Å; T169-Q172 WeakPolarHBondContact OG1-CG 3.46Å; T169-Q172 PolarHBondContact OG1-N 3.46Å; T169-Q172 PolarHBondContact OG1-OE1 3.45Å; Q172-D174 VanDerWaalsContact C-N 3.33Å; Q172-D174 PolarHBondContact O-N 3.46Å; Q172-L175 PolarHBondContact O-N 3.41Å; Q172-E176 WeakPolarHBondContact O-CG 3.48Å; Q172-E176 PolarHBondContact O-N 2.84Å |
| 173 | A | 97.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.4 | -41.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q125 M168 T169 P170 E176 F177 | Q125-A173 HydrophobicContact CB-CB 3.89Å; Q125-A173 HydrophobicContact CG-CB 3.76Å; M168-A173 HydrophobicContact CG-CB 4.34Å; M168-A173 HydrophobicContact SD-CB 3.98Å; T169-A173 PolarHBondContact O-N 2.87Å; P170-A173 PolarHBondContact O-N 2.93Å; A173-E176 PolarHBondContact O-N 3.1Å; A173-F177 VanDerWaalsContact O-CB 3.3Å; A173-F177 WeakPolarHBondContact O-CB 3.46Å; A173-F177 PolarHBondContact O-N 2.9Å |
| 174 | D | 97.5 | Very high | 96.2 | Very high | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.005 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.9 | -44 | 172.6 | -69.6 | -30.9 | 0 | 0 | 0 | 111.8 | R101 S126 P170 A171 Q172 F177 L178 R324 | R101-D174 IonicContact NH2-OD1 2.67Å; S126-D174 WeakPolarHBondContact CB-OD1 3.34Å; S126-D174 PolarHBondContact OG-OD1 2.99Å; P170-D174 VanDerWaalsContact O-CG 3.31Å; P170-D174 PolarHBondContact O-N 3.19Å; A171-D174 PolarHBondContact O-N 2.89Å; Q172-D174 VanDerWaalsContact C-N 3.33Å; Q172-D174 PolarHBondContact O-N 3.46Å; D174-F177 WeakPolarHBondContact O-CB 3.46Å; D174-F177 PolarHBondContact O-N 3.31Å; D174-L178 WeakPolarHBondContact O-CG 3.43Å; D174-L178 PolarHBondContact O-N 2.63Å; D174-R324 IonicContact OD1-NH1 3.7Å; D174-R324 PolarHBondContact OD1-NH1 2.77Å; D174-R324 IonicContact OD2-CZ 3.1Å; D174-R324 VanDerWaalsContact OD2-CZ 3.23Å; D174-R324 IonicContact OD2-NH1 3.52Å; D174-R324 PolarHBondContact OD2-NH1 3.03Å; D174-R324 IonicContact OD2-NH2 3.08Å; D174-R324 PolarHBondContact OD2-NH2 3.17Å |
| 175 | L | 96.8 | Very high | 95.9 | Very high | 56 Ų | 56 | 55.6 Ų | 55.6 | 29% | 0.293 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62.2 | -47.9 | 178.1 | -176.5 | 64.2 | 0 | 0 | 0 | 111.5 | A85 A171 Q172 F177 L178 E179 | A85-L175 HydrophobicContact CB-CD1 4.17Å; A171-L175 PolarHBondContact O-N 3.08Å; Q172-L175 PolarHBondContact O-N 3.41Å; L175-F177 VanDerWaalsContact C-N 3.34Å; L175-F177 PolarHBondContact O-N 2.94Å; L175-L178 PolarHBondContact O-N 3.11Å; L175-L178 VanDerWaalsContact O-N 3.1Å; L175-E179 WeakPolarHBondContact O-CG 3.12Å; L175-E179 PolarHBondContact O-N 3.44Å |
| 176 | E | 98.1 | Very high | 95.9 | Very high | 77 Ų | 77 | 55.8 Ų | 55.8 | 36% | 0.36 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63.7 | -38 | 177.7 | -73.2 | -62.5 | 158.6 | 0 | 0 | 112.5 | Y122 Q172 A173 L178 E179 N180 | Y122-E176 HydrophobicContact CD1-CB 4.1Å; Y122-E176 HydrophobicContact CD2-CB 4.17Å; Y122-E176 HydrophobicContact CE1-CB 3.74Å; Y122-E176 HydrophobicContact CE1-CG 4.36Å; Y122-E176 HydrophobicContact CE2-CB 3.78Å; Y122-E176 HydrophobicContact CG-CB 4.32Å; Q172-E176 WeakPolarHBondContact O-CG 3.48Å; Q172-E176 PolarHBondContact O-N 2.84Å; A173-E176 PolarHBondContact O-N 3.1Å; E176-L178 VanDerWaalsContact C-N 3.32Å; E176-L178 PolarHBondContact O-N 3.21Å; E176-E179 PolarHBondContact O-N 3.46Å; E176-N180 PolarHBondContact O-N 3.25Å; E176-N180 VanDerWaalsContact O-N 3.17Å; E176-N180 PolarHBondContact O-ND2 2.8Å |
| 177 | F | 98.6 | Very high | 96.3 | Very high | 1 Ų | 1 | 45.8 Ų | 45.8 | 0% | 0.004 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -55.7 | -49.8 | 170.2 | 178 | -78.4 | 0 | 0 | 0 | 110.5 | C97 L100 R101 I104 L119 Y122 A173 D174 L175 N180 A181 | C97-F177 HydrophobicContact CB-CD1 4.23Å; C97-F177 HydrophobicContact CB-CE1 4.37Å; L100-F177 HydrophobicContact CB-CE1 3.75Å; L100-F177 HydrophobicContact CB-CZ 4.1Å; L100-F177 HydrophobicContact CD1-CE1 3.93Å; R101-F177 HydrophobicContact CG-CE2 4.15Å; R101-F177 HydrophobicContact CG-CZ 3.98Å; I104-F177 HydrophobicContact CD1-CZ 4.24Å; L119-F177 HydrophobicContact CB-CD2 3.94Å; L119-F177 HydrophobicContact CB-CE2 3.69Å; L119-F177 HydrophobicContact CD1-CE2 4.43Å; L119-F177 HydrophobicContact CD2-CD2 3.83Å; L119-F177 HydrophobicContact CD2-CE2 4.11Å; L119-F177 HydrophobicContact CD2-CG 4.12Å; L119-F177 WeakPolarHBondContact CD2-O 3.38Å; L119-F177 HydrophobicContact CG-CD2 4.41Å; L119-F177 HydrophobicContact CG-CE2 4.28Å; L119-F177 WeakPolarHBondContact O-CD2 3.39Å; Y122-F177 HydrophobicContact CD2-CB 4.33Å; Y122-F177 HydrophobicContact CG-CB 4.47Å; A173-F177 VanDerWaalsContact O-CB 3.3Å; A173-F177 WeakPolarHBondContact O-CB 3.46Å; A173-F177 PolarHBondContact O-N 2.9Å; D174-F177 WeakPolarHBondContact O-CB 3.46Å; D174-F177 PolarHBondContact O-N 3.31Å; L175-F177 VanDerWaalsContact C-N 3.34Å; L175-F177 PolarHBondContact O-N 2.94Å; F177-N180 PolarHBondContact O-N 3.39Å; F177-A181 HydrophobicContact CD1-CB 4.36Å; F177-A181 HydrophobicContact CE1-CB 4.11Å; F177-A181 VanDerWaalsContact O-CB 3.28Å; F177-A181 WeakPolarHBondContact O-CB 3.4Å; F177-A181 PolarHBondContact O-N 3.35Å |
| 178 | L | 98.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -67.9 | -39.6 | -177.7 | -67.5 | 171.5 | 0 | 0 | 0 | 112.8 | P84 R93 L96 L100 D174 L175 E176 N180 A181 K182 | P84-L178 HydrophobicContact CB-CB 3.8Å; P84-L178 HydrophobicContact CB-CD1 3.92Å; P84-L178 HydrophobicContact CB-CG 4.3Å; P84-L178 HydrophobicContact CG-CB 4.07Å; R93-L178 HydrophobicContact CB-CD1 3.74Å; R93-L178 HydrophobicContact CG-CD1 3.8Å; L96-L178 HydrophobicContact CB-CD2 4.17Å; L96-L178 HydrophobicContact CD2-CD1 4.24Å; L96-L178 HydrophobicContact CD2-CD2 3.66Å; L96-L178 HydrophobicContact CG-CD2 3.61Å; L100-L178 HydrophobicContact CD1-CD2 3.47Å; L100-L178 VanDerWaalsContact CD1-CD2 3.47Å; D174-L178 WeakPolarHBondContact O-CG 3.43Å; D174-L178 PolarHBondContact O-N 2.63Å; L175-L178 PolarHBondContact O-N 3.11Å; L175-L178 VanDerWaalsContact O-N 3.1Å; E176-L178 VanDerWaalsContact C-N 3.32Å; E176-L178 PolarHBondContact O-N 3.21Å; L178-N180 PolarHBondContact O-N 2.89Å; L178-A181 PolarHBondContact O-N 2.99Å; L178-K182 WeakPolarHBondContact O-CB 3.5Å; L178-K182 PolarHBondContact O-N 3.13Å |
| 179 | E | 97.4 | Very high | 96.5 | Very high | 44 Ų | 44 | 40.7 Ų | 40.7 | 21% | 0.206 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.4 | -30.9 | 176.3 | -77.5 | -56 | 115.6 | 0 | 0 | 112.7 | L175 E176 K182 K183 | L175-E179 WeakPolarHBondContact O-CG 3.12Å; L175-E179 PolarHBondContact O-N 3.44Å; E176-E179 PolarHBondContact O-N 3.46Å; E179-K182 IonicContact OE1-NZ 2.84Å; E179-K182 PolarHBondContact OE1-NZ 3.21Å; E179-K182 WeakPolarHBondContact OE2-CE 3.23Å; E179-K182 IonicContact OE2-NZ 2.72Å; E179-K182 PolarHBondContact OE2-NZ 3.44Å; E179-K183 WeakPolarHBondContact O-CE 3.2Å |
| 180 | N | 98.3 | Very high | 96.5 | Very high | 36 Ų | 36 | 39.4 Ų | 39.4 | 19% | 0.193 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -86.3 | -41.2 | 174.8 | -72.9 | -71.8 | 0 | 0 | 0 | 112 | L119 E176 F177 L178 K182 K183 | L119-N180 HydrophobicContact CD2-CB 3.88Å; E176-N180 PolarHBondContact O-N 3.25Å; E176-N180 VanDerWaalsContact O-N 3.17Å; E176-N180 PolarHBondContact O-ND2 2.8Å; F177-N180 PolarHBondContact O-N 3.39Å; L178-N180 PolarHBondContact O-N 2.89Å; N180-K182 VanDerWaalsContact C-N 3.34Å; N180-K182 PolarHBondContact O-N 3.18Å; N180-K183 WeakPolarHBondContact O-CB 3.35Å; N180-K183 PolarHBondContact O-N 2.75Å |
| 181 | A | 98.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.7 | -36.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | L100 F177 L178 K183 L184 | L100-A181 HydrophobicContact CD1-CB 4.04Å; F177-A181 HydrophobicContact CD1-CB 4.36Å; F177-A181 HydrophobicContact CE1-CB 4.11Å; F177-A181 VanDerWaalsContact O-CB 3.28Å; F177-A181 WeakPolarHBondContact O-CB 3.4Å; F177-A181 PolarHBondContact O-N 3.35Å; L178-A181 PolarHBondContact O-N 2.99Å; A181-K183 PolarHBondContact O-N 3.47Å; A181-K183 VanDerWaalsContact O-N 3.13Å; A181-L184 WeakPolarHBondContact O-CB 3.39Å; A181-L184 WeakPolarHBondContact O-CG 3.36Å; A181-L184 PolarHBondContact O-N 3.46Å |
| 182 | K | 96.7 | Very high | 96.6 | Very high | 56 Ų | 56 | 40.6 Ų | 40.6 | 24% | 0.243 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -20 | 179.8 | 79.7 | -173.7 | -171.1 | -171.9 | 0 | 113.8 | D83 P84 L178 E179 N180 L184 Y187 | D83-K182 IonicContact OD1-NZ 2.68Å; D83-K182 PolarHBondContact OD1-NZ 3.38Å; P84-K182 HydrophobicContact CG-CB 4.43Å; P84-K182 HydrophobicContact CG-CD 4.39Å; L178-K182 WeakPolarHBondContact O-CB 3.5Å; L178-K182 PolarHBondContact O-N 3.13Å; E179-K182 IonicContact OE1-NZ 2.84Å; E179-K182 PolarHBondContact OE1-NZ 3.21Å; E179-K182 WeakPolarHBondContact OE2-CE 3.23Å; E179-K182 IonicContact OE2-NZ 2.72Å; E179-K182 PolarHBondContact OE2-NZ 3.44Å; N180-K182 VanDerWaalsContact C-N 3.34Å; N180-K182 PolarHBondContact O-N 3.18Å; K182-L184 VanDerWaalsContact C-N 3.32Å; K182-Y187 HydrophobicContact CB-CD1 4.43Å; K182-Y187 HydrophobicContact CB-CE1 4.25Å; K182-Y187 HydrophobicContact CB-CE2 4.42Å |
| 183 | K | 96.2 | Very high | 96.6 | Very high | 148 Ų | 148 | 43.8 Ų | 43.8 | 64% | 0.643 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80 | -13.7 | 178.7 | -60.4 | 168.8 | -174.7 | 160.8 | 0 | 112.6 | E179 N180 A181 | E179-K183 WeakPolarHBondContact O-CE 3.2Å; N180-K183 WeakPolarHBondContact O-CB 3.35Å; N180-K183 PolarHBondContact O-N 2.75Å; A181-K183 PolarHBondContact O-N 3.47Å; A181-K183 VanDerWaalsContact O-N 3.13Å |
| 184 | L | 95.7 | Very high | 96.6 | Very high | 33 Ų | 33 | 44 Ų | 44 | 17% | 0.173 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -74.1 | 138.7 | -177.9 | -61.3 | 175 | 0 | 0 | 0 | 111.4 | L109 C111 T115 L119 A181 K182 M186 Y187 | L109-L184 HydrophobicContact CD1-CB 3.73Å; L109-L184 HydrophobicContact CD1-CD1 3.85Å; L109-L184 HydrophobicContact CD1-CG 4.46Å; L109-L184 HydrophobicContact CD2-CD1 3.91Å; L109-L184 HydrophobicContact CG-CD1 3.76Å; C111-L184 VanDerWaalsContact SG-CD1 3.56Å; T115-L184 HydrophobicContact CG2-CD1 4.37Å; T115-L184 HydrophobicContact CG2-CD2 4.02Å; L119-L184 HydrophobicContact CD1-CD1 4.27Å; A181-L184 WeakPolarHBondContact O-CB 3.39Å; A181-L184 WeakPolarHBondContact O-CG 3.36Å; A181-L184 PolarHBondContact O-N 3.46Å; K182-L184 VanDerWaalsContact C-N 3.32Å; L184-M186 PolarHBondContact O-N 2.73Å; L184-M186 VanDerWaalsContact O-N 3.09Å; L184-Y187 VanDerWaalsContact O-CB 3.22Å; L184-Y187 WeakPolarHBondContact O-CB 3.43Å; L184-Y187 PolarHBondContact O-N 2.95Å |
| 185 | S | 92 | Very high | 96.6 | Very high | 87 Ų | 87 | 47.6 Ų | 47.6 | 61% | 0.608 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -21.2 | -172.6 | 60 | 0 | 0 | 0 | 0 | 114.7 | ||
| 186 | M | 95.8 | Very high | 96.4 | Very high | 33 Ų | 33 | 46.8 Ų | 46.8 | 16% | 0.163 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.6 | 7.3 | -179.8 | -58 | -57.3 | -64.2 | 0 | 0 | 112.9 | L109 P110 L184 G188 V189 L191 Y214 | L109-M186 HydrophobicContact CD1-CB 3.96Å; P110-M186 HydrophobicContact CG-CG 4.43Å; L184-M186 PolarHBondContact O-N 2.73Å; L184-M186 VanDerWaalsContact O-N 3.09Å; M186-G188 PolarHBondContact O-N 3.25Å; M186-G188 VanDerWaalsContact O-N 3.15Å; M186-V189 HydrophobicContact CE-CB 4.28Å; M186-V189 HydrophobicContact CE-CG1 4.28Å; M186-V189 PolarHBondContact O-N 3.45Å; M186-L191 HydrophobicContact CE-CD1 3.69Å; M186-L191 HydrophobicContact CE-CD2 3.73Å; M186-L191 HydrophobicContact CE-CG 4.06Å; M186-Y214 HydrophobicContact SD-CE1 3.95Å |
| 187 | Y | 97.4 | Very high | 95.7 | Very high | 19 Ų | 19 | 48.2 Ų | 48.2 | 8% | 0.075 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | 117.4 | 177.4 | 173.9 | -97.9 | 0 | 0 | 0 | 111 | Y80 P81 L100 K182 L184 V189 | Y80-Y187 HydrophobicContact CD1-CE2 4.22Å; P81-Y187 WeakPolarHBondContact O-CE1 3.29Å; P81-Y187 PolarHBondContact O-OH 3.44Å; L100-Y187 HydrophobicContact CD1-CD2 4.42Å; L100-Y187 HydrophobicContact CD1-CE2 3.88Å; L100-Y187 HydrophobicContact CD2-CD2 3.72Å; L100-Y187 HydrophobicContact CD2-CE2 3.82Å; L100-Y187 HydrophobicContact CG-CE2 4.47Å; K182-Y187 HydrophobicContact CB-CD1 4.43Å; K182-Y187 HydrophobicContact CB-CE1 4.25Å; K182-Y187 HydrophobicContact CB-CE2 4.42Å; L184-Y187 VanDerWaalsContact O-CB 3.22Å; L184-Y187 WeakPolarHBondContact O-CB 3.43Å; L184-Y187 PolarHBondContact O-N 2.95Å; Y187-V189 PolarHBondContact O-N 3.09Å |
| 188 | G | 96.2 | Very high | 95.3 | Very high | 9 Ų | 9 | 54.6 Ų | 54.6 | 9% | 0.093 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 62.1 | 24.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | M186 C207 | M186-G188 PolarHBondContact O-N 3.25Å; M186-G188 VanDerWaalsContact O-N 3.15Å; G188-C207 WeakPolarHBondContact O-CB 3.44Å |
| 189 | V | 96.3 | Very high | 94.9 | Very high | 23 Ų | 23 | 56.2 Ų | 56.2 | 14% | 0.139 | 29% | 0.288 | C | S | . | . | trans | -91 | 114.8 | 179.9 | -176 | 0 | 0 | 0 | 0 | 110.8 | M186 Y187 L191 C207 L212 Y214 | M186-V189 HydrophobicContact CE-CB 4.28Å; M186-V189 HydrophobicContact CE-CG1 4.28Å; M186-V189 PolarHBondContact O-N 3.45Å; Y187-V189 PolarHBondContact O-N 3.09Å; V189-L191 HydrophobicContact CG1-CD2 3.68Å; V189-L191 HydrophobicContact CG1-CG 4.35Å; V189-C207 HydrophobicContact CG2-CB 4.13Å; V189-L212 HydrophobicContact CG1-CD1 4.35Å; V189-L212 HydrophobicContact CG2-CD1 4.04Å; V189-Y214 HydrophobicContact CG1-CE2 4.33Å | ||
| 190 | D | 95.2 | Very high | 94.8 | Very high | 40 Ų | 40 | 56.5 Ų | 56.5 | 21% | 0.214 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 118.5 | 171 | -166.7 | -3.2 | 0 | 0 | 0 | 110.3 | H192 G205 V206 V270 | D190-H192 PolarHBondContact O-CD2 3.34Å; D190-H192 IonicContact OD1-NE2 2.75Å; D190-H192 IonicContact OD2-NE2 2.77Å; D190-G205 CarbonylContact O-C 3.59Å; D190-G205 VanDerWaalsContact O-CA 3.32Å; D190-G205 WeakPolarHBondContact O-CA 3.41Å; D190-V206 PolarHBondContact N-O 2.67Å; D190-V206 PolarHBondContact O-N 3.17Å; D190-V270 HydrophobicContact CB-CG1 4.35Å |
| 191 | L | 94.9 | Very high | 94.8 | Very high | 78 Ų | 78 | 60 Ų | 60 | 41% | 0.408 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 134.4 | -170 | -63.8 | 173.6 | 0 | 0 | 0 | 113 | M186 V189 I203 L204 Y214 | M186-L191 HydrophobicContact CE-CD1 3.69Å; M186-L191 HydrophobicContact CE-CD2 3.73Å; M186-L191 HydrophobicContact CE-CG 4.06Å; V189-L191 HydrophobicContact CG1-CD2 3.68Å; V189-L191 HydrophobicContact CG1-CG 4.35Å; L191-I203 HydrophobicContact CB-CG2 3.91Å; L191-I203 HydrophobicContact CD2-CG2 3.66Å; L191-I203 HydrophobicContact CG-CG2 4.26Å; L191-L204 CarbonylContact C-O 3.58Å; L191-L204 WeakPolarHBondContact CA-O 2.94Å; L191-Y214 HydrophobicContact CD2-CD2 4.5Å; L191-Y214 HydrophobicContact CD2-CE2 4.32Å |
| 192 | H | 95.6 | Very high | 94.7 | Very high | 13 Ų | 13 | 60.4 Ų | 60.4 | 6% | 0.06 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 121 | -179.8 | -61.8 | -93 | 0 | 0 | 0 | 110.8 | D190 A194 L204 L267 | D190-H192 PolarHBondContact O-CD2 3.34Å; D190-H192 IonicContact OD1-NE2 2.75Å; D190-H192 IonicContact OD2-NE2 2.77Å; H192-A194 PolarHBondContact O-N 3.1Å; H192-L204 HydrophobicContact CB-CB 4.39Å; H192-L204 PolarHBondContact N-O 3.37Å; H192-L204 PolarHBondContact O-N 3.26Å; H192-L267 HydrophobicContact CB-CD1 4.25Å; H192-L267 VanDerWaalsContact CD2-CD1 3.47Å; H192-L267 WeakPolarHBondContact CD2-CD1 3.39Å |
| 193 | K | 95.6 | Very high | 94.7 | Very high | 166 Ų | 166 | 60.8 Ų | 60.8 | 72% | 0.722 | 32% | 0.318 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 133.7 | 173 | -62.7 | -174.8 | 179.1 | -174.4 | 0 | 110.4 | P259 | K193-P259 HydrophobicContact CB-CG 4.46Å; K193-P259 VanDerWaalsContact O-CD 3.24Å; K193-P259 WeakPolarHBondContact O-CD 2.99Å |
| 194 | A | 97.3 | Very high | 94.8 | Very high | 4 Ų | 4 | 53.7 Ų | 53.7 | 3% | 0.033 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 175.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | H192 I202 L204 K257 L258 | H192-A194 PolarHBondContact O-N 3.1Å; A194-I202 CarbonylContact C-O 3.59Å; A194-I202 HydrophobicContact CB-CD1 4.34Å; A194-I202 HydrophobicContact CB-CG1 4.07Å; A194-I202 PolarHBondContact N-O 2.91Å; A194-I202 WeakPolarHBondContact O-CG1 3.22Å; A194-I202 PolarHBondContact O-N 3.33Å; A194-L204 HydrophobicContact CB-CD1 3.81Å; A194-L204 HydrophobicContact CB-CG 3.94Å; A194-K257 CarbonylContact C-O 3.52Å; A194-K257 WeakPolarHBondContact CA-O 3.33Å; A194-L258 HydrophobicContact CB-CD1 3.71Å; A194-L258 HydrophobicContact CB-CG 4.17Å |
| 195 | K | 97.4 | Very high | 94.9 | Very high | 76 Ų | 76 | 52.1 Ų | 52.1 | 33% | 0.33 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 150.1 | 166.1 | -71.4 | 171 | 175.5 | -68.9 | 0 | 108.6 | G199 V200 D201 F256 K257 | K195-G199 WeakPolarHBondContact CD-O 3.47Å; K195-G199 PolarHBondContact NZ-O 3.47Å; K195-V200 WeakPolarHBondContact CA-O 3.18Å; K195-D201 WeakPolarHBondContact CE-OD1 3.43Å; K195-D201 WeakPolarHBondContact CG-OD1 3.5Å; K195-D201 IonicContact NZ-OD1 3.79Å; K195-D201 PolarHBondContact NZ-OD1 3.06Å; K195-D201 IonicContact NZ-OD2 3.43Å; K195-D201 PolarHBondContact NZ-OD2 2.8Å; K195-F256 CarbonylContact O-C 3.56Å; K195-K257 HydrophobicContact CB-CB 4.24Å; K195-K257 PolarHBondContact N-O 2.68Å; K195-K257 PolarHBondContact O-N 2.79Å |
| 196 | D | 92.6 | Very high | 95.2 | Very high | 40 Ų | 40 | 48 Ų | 48 | 21% | 0.214 | 25% | 0.25 | C | C | . | . | trans | -73.4 | -168.7 | 168.1 | 63.8 | 14.5 | 0 | 0 | 0 | 111.4 | E198 G199 V200 I202 | D196-E198 VanDerWaalsContact C-N 3.28Å; D196-E198 WeakPolarHBondContact OD1-CA 3.36Å; D196-E198 PolarHBondContact OD1-N 3.08Å; D196-G199 PolarHBondContact O-N 2.89Å; D196-G199 PolarHBondContact OD1-N 3.34Å; D196-V200 PolarHBondContact N-O 3.13Å; D196-V200 VanDerWaalsContact N-O 3.1Å; D196-V200 PolarHBondContact OD1-N 3.02Å; D196-V200 WeakPolarHBondContact OD2-CB 3.1Å; D196-I202 HydrophobicContact CB-CD1 4.27Å | ||
| 197 | L | 84.8 | Confident | 95.2 | Very high | 106 Ų | 106 | 46.9 Ų | 46.9 | 56% | 0.555 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -72.5 | -23 | 179.1 | -65.5 | 178 | 0 | 0 | 0 | 112.9 | G255 Y411 | L197-G255 WeakPolarHBondContact CG-O 3.31Å; L197-Y411 HydrophobicContact CD1-CE2 4.44Å |
| 198 | E | 88.4 | Confident | 95.2 | Very high | 136 Ų | 136 | 47 Ų | 47 | 64% | 0.636 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -87.6 | -9.4 | 178.6 | -63.1 | 178 | -174.5 | 0 | 0 | 112.1 | D196 V200 Y411 | D196-E198 VanDerWaalsContact C-N 3.28Å; D196-E198 WeakPolarHBondContact OD1-CA 3.36Å; D196-E198 PolarHBondContact OD1-N 3.08Å; E198-V200 HydrophobicContact CB-CG2 4.38Å; E198-Y411 WeakPolarHBondContact OE1-CD1 3.5Å |
| 199 | G | 91.8 | Very high | 95.1 | Very high | 34 Ų | 34 | 48.5 Ų | 48.5 | 35% | 0.351 | 26% | 0.258 | S | S | . | . | trans | 93.9 | 6.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | K195 D196 | K195-G199 WeakPolarHBondContact CD-O 3.47Å; K195-G199 PolarHBondContact NZ-O 3.47Å; D196-G199 PolarHBondContact O-N 2.89Å; D196-G199 PolarHBondContact OD1-N 3.34Å | ||
| 200 | V | 94.9 | Very high | 95.1 | Very high | 50 Ų | 50 | 47.4 Ų | 47.4 | 30% | 0.303 | 25% | 0.251 | S | S | . | . | trans | -70.5 | 132.4 | 177.7 | -176.4 | 0 | 0 | 0 | 0 | 109.4 | K195 D196 E198 I202 K215 | K195-V200 WeakPolarHBondContact CA-O 3.18Å; D196-V200 PolarHBondContact N-O 3.13Å; D196-V200 VanDerWaalsContact N-O 3.1Å; D196-V200 PolarHBondContact OD1-N 3.02Å; D196-V200 WeakPolarHBondContact OD2-CB 3.1Å; E198-V200 HydrophobicContact CB-CG2 4.38Å; V200-I202 PolarHBondContact O-N 3.23Å; V200-K215 HydrophobicContact CG1-CD 4.4Å | ||
| 201 | D | 97.1 | Very high | 95.2 | Very high | 108 Ų | 108 | 45.6 Ų | 45.6 | 58% | 0.578 | 24% | 0.241 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 127.6 | 178.7 | -70.2 | -63.4 | 0 | 0 | 0 | 111.4 | K195 | K195-D201 WeakPolarHBondContact CE-OD1 3.43Å; K195-D201 WeakPolarHBondContact CG-OD1 3.5Å; K195-D201 IonicContact NZ-OD1 3.79Å; K195-D201 PolarHBondContact NZ-OD1 3.06Å; K195-D201 IonicContact NZ-OD2 3.43Å; K195-D201 PolarHBondContact NZ-OD2 2.8Å |
| 202 | I | 97.4 | Very high | 95.3 | Very high | 9 Ų | 9 | 42 Ų | 42 | 5% | 0.046 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 167.3 | -178.8 | 57.4 | 164.9 | 0 | 0 | 0 | 109.9 | A194 D196 V200 L204 V213 Y214 K215 F256 | A194-I202 CarbonylContact C-O 3.59Å; A194-I202 HydrophobicContact CB-CD1 4.34Å; A194-I202 HydrophobicContact CB-CG1 4.07Å; A194-I202 PolarHBondContact N-O 2.91Å; A194-I202 WeakPolarHBondContact O-CG1 3.22Å; A194-I202 PolarHBondContact O-N 3.33Å; D196-I202 HydrophobicContact CB-CD1 4.27Å; V200-I202 PolarHBondContact O-N 3.23Å; I202-L204 HydrophobicContact CD1-CD2 4.17Å; I202-V213 HydrophobicContact CB-CG1 4.34Å; I202-V213 HydrophobicContact CD1-CG1 3.98Å; I202-Y214 CarbonylContact C-O 3.57Å; I202-Y214 WeakPolarHBondContact CA-O 3.39Å; I202-Y214 WeakPolarHBondContact CB-O 3.44Å; I202-K215 HydrophobicContact CG2-CB 4.5Å; I202-F256 HydrophobicContact CD1-CD1 3.54Å; I202-F256 HydrophobicContact CD1-CE1 3.86Å |
| 203 | I | 97.1 | Very high | 95.4 | Very high | 64 Ų | 64 | 41.7 Ų | 41.7 | 33% | 0.328 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 126 | 172 | -55.3 | 174.3 | 0 | 0 | 0 | 108.3 | L191 Y214 | L191-I203 HydrophobicContact CB-CG2 3.91Å; L191-I203 HydrophobicContact CD2-CG2 3.66Å; L191-I203 HydrophobicContact CG-CG2 4.26Å; I203-Y214 PolarHBondContact N-O 3.11Å; I203-Y214 PolarHBondContact O-N 3.35Å |
| 204 | L | 97.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 127.5 | 171.6 | -61.8 | 175.7 | 0 | 0 | 0 | 108.8 | L191 H192 A194 I202 L212 V213 F238 F256 L258 L267 | L191-L204 CarbonylContact C-O 3.58Å; L191-L204 WeakPolarHBondContact CA-O 2.94Å; H192-L204 HydrophobicContact CB-CB 4.39Å; H192-L204 PolarHBondContact N-O 3.37Å; H192-L204 PolarHBondContact O-N 3.26Å; A194-L204 HydrophobicContact CB-CD1 3.81Å; A194-L204 HydrophobicContact CB-CG 3.94Å; I202-L204 HydrophobicContact CD1-CD2 4.17Å; L204-L212 CarbonylContact C-O 3.52Å; L204-L212 WeakPolarHBondContact CA-O 3.3Å; L204-V213 HydrophobicContact CD2-CB 4.46Å; L204-V213 HydrophobicContact CD2-CG1 4.29Å; L204-V213 HydrophobicContact CD2-CG2 3.86Å; L204-F238 HydrophobicContact CD1-CD1 4.44Å; L204-F256 HydrophobicContact CD1-CB 3.97Å; L204-F256 HydrophobicContact CD1-CD1 4.39Å; L204-F256 HydrophobicContact CD1-CD2 4.17Å; L204-F256 HydrophobicContact CD1-CG 3.91Å; L204-F256 HydrophobicContact CD2-CD1 3.99Å; L204-F256 HydrophobicContact CD2-CD2 4.42Å; L204-F256 HydrophobicContact CD2-CE1 3.91Å; L204-F256 HydrophobicContact CD2-CE2 4.35Å; L204-F256 HydrophobicContact CD2-CG 4.22Å; L204-F256 HydrophobicContact CD2-CZ 4.08Å; L204-L258 HydrophobicContact CD1-CD1 4.25Å; L204-L267 HydrophobicContact CB-CD2 4.49Å; L204-L267 HydrophobicContact CD1-CD2 3.49Å; L204-L267 VanDerWaalsContact CD1-CD2 3.49Å |
| 205 | G | 97.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 138.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111 | D190 L211 L212 | D190-G205 CarbonylContact O-C 3.59Å; D190-G205 VanDerWaalsContact O-CA 3.32Å; D190-G205 WeakPolarHBondContact O-CA 3.41Å; G205-L211 CarbonylContact O-C 3.54Å; G205-L211 WeakPolarHBondContact O-CA 3.49Å; G205-L212 PolarHBondContact N-O 2.98Å; G205-L212 PolarHBondContact O-N 3.42Å |
| 206 | V | 97.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 128.1 | 171.9 | -172.3 | 0 | 0 | 0 | 0 | 108.9 | D190 L211 W225 L267 V270 H274 | D190-V206 PolarHBondContact N-O 2.67Å; D190-V206 PolarHBondContact O-N 3.17Å; V206-L211 HydrophobicContact CG1-CD1 4.36Å; V206-L211 HydrophobicContact CG2-CD1 4.08Å; V206-L211 HydrophobicContact CG2-CG 4.37Å; V206-W225 HydrophobicContact CG1-CH2 3.79Å; V206-W225 HydrophobicContact CG1-CZ2 3.68Å; V206-L267 HydrophobicContact CG2-CD1 3.54Å; V206-V270 HydrophobicContact CB-CG1 3.95Å; V206-V270 HydrophobicContact CG1-CG1 3.95Å; V206-V270 HydrophobicContact CG2-CG1 4.19Å; V206-H274 HydrophobicContact CG1-CB 3.97Å |
| 207 | C | 97.3 | Very high | 94.3 | Very high | 9 Ų | 9 | 48.5 Ų | 48.5 | 6% | 0.061 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | -175.9 | 177.4 | 70.6 | 0 | 0 | 0 | 0 | 111.7 | G188 V189 S209 G210 W225 | G188-C207 WeakPolarHBondContact O-CB 3.44Å; V189-C207 HydrophobicContact CG2-CB 4.13Å; C207-S209 PolarHBondContact O-N 2.66Å; C207-S209 VanDerWaalsContact O-N 3.15Å; C207-S209 PolarHBondContact SG-OG 2.76Å; C207-G210 PolarHBondContact N-O 3.22Å; C207-G210 VanDerWaalsContact N-O 3.08Å; C207-G210 PolarHBondContact O-N 3.01Å; C207-W225 WeakPolarHBondContact O-CZ2 3.38Å; C207-W225 PolarHBondContact O-NE1 3Å |
| 208 | S | 96.5 | Very high | 94.5 | Very high | 23 Ų | 23 | 49.4 Ų | 49.4 | 16% | 0.161 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -27.8 | 179.9 | 58.7 | 0 | 0 | 0 | 0 | 114 | W225 F278 | S208-W225 PolarHBondContact O-NE1 3.17Å; S208-W225 VanDerWaalsContact O-NE1 3.14Å; S208-F278 VanDerWaalsContact CA-CD2 3.49Å |
| 209 | S | 95.1 | Very high | 94.8 | Very high | 40 Ų | 40 | 49.8 Ų | 49.8 | 28% | 0.28 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | -18.6 | -175.1 | 84.1 | 0 | 0 | 0 | 0 | 115.2 | C207 R222 P224 W225 | C207-S209 PolarHBondContact O-N 2.66Å; C207-S209 VanDerWaalsContact O-N 3.15Å; C207-S209 PolarHBondContact SG-OG 2.76Å; S209-R222 PolarHBondContact OG-NH2 3.24Å; S209-P224 WeakPolarHBondContact O-CA 3.41Å; S209-W225 PolarHBondContact O-N 2.86Å |
| 210 | G | 96.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 160.3 | -167.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | C207 F223 W225 | C207-G210 PolarHBondContact N-O 3.22Å; C207-G210 VanDerWaalsContact N-O 3.08Å; C207-G210 PolarHBondContact O-N 3.01Å; G210-F223 CarbonylContact C-O 3.56Å; G210-F223 VanDerWaalsContact CA-O 3.23Å; G210-F223 WeakPolarHBondContact CA-O 3.48Å; G210-W225 VanDerWaalsContact N-NE1 3.18Å |
| 211 | L | 96.9 | Very high | 94.8 | Very high | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 144.8 | 162.3 | -103.9 | 69.2 | 0 | 0 | 0 | 110.7 | G205 V206 R222 F223 W225 F238 I240 C271 | G205-L211 CarbonylContact O-C 3.54Å; G205-L211 WeakPolarHBondContact O-CA 3.49Å; V206-L211 HydrophobicContact CG1-CD1 4.36Å; V206-L211 HydrophobicContact CG2-CD1 4.08Å; V206-L211 HydrophobicContact CG2-CG 4.37Å; L211-R222 CarbonylContact O-C 3.58Å; L211-R222 WeakPolarHBondContact O-CA 3.48Å; L211-F223 HydrophobicContact CB-CB 4.1Å; L211-F223 HydrophobicContact CB-CD2 4.02Å; L211-F223 PolarHBondContact N-O 2.86Å; L211-F223 PolarHBondContact O-N 3.12Å; L211-W225 HydrophobicContact CD1-CH2 3.1Å; L211-W225 HydrophobicContact CD1-CZ2 4.15Å; L211-W225 HydrophobicContact CD1-CZ3 3.35Å; L211-F238 HydrophobicContact CD2-CE1 3.68Å; L211-F238 HydrophobicContact CD2-CZ 4.03Å; L211-I240 HydrophobicContact CD2-CG2 4.21Å; L211-C271 HydrophobicContact CD1-CB 4.36Å |
| 212 | L | 97.1 | Very high | 94.7 | Very high | 4 Ų | 4 | 54.7 Ų | 54.7 | 2% | 0.021 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 144.6 | 177.2 | -51.3 | 176.6 | 0 | 0 | 0 | 108.2 | V189 L204 G205 Y214 R222 | V189-L212 HydrophobicContact CG1-CD1 4.35Å; V189-L212 HydrophobicContact CG2-CD1 4.04Å; L204-L212 CarbonylContact C-O 3.52Å; L204-L212 WeakPolarHBondContact CA-O 3.3Å; G205-L212 PolarHBondContact N-O 2.98Å; G205-L212 PolarHBondContact O-N 3.42Å; L212-Y214 HydrophobicContact CB-CD2 4.28Å; L212-Y214 HydrophobicContact CB-CE2 3.53Å; L212-Y214 HydrophobicContact CD1-CE2 4.15Å; L212-Y214 WeakPolarHBondContact CD1-OH 3.36Å; L212-Y214 HydrophobicContact CG-CE2 4.49Å; L212-R222 HydrophobicContact CD2-CB 4.07Å; L212-R222 HydrophobicContact CD2-CG 3.73Å |
| 213 | V | 96.4 | Very high | 94.5 | Very high | 6 Ų | 6 | 54.9 Ų | 54.9 | 4% | 0.036 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 127.5 | 173.4 | -170.5 | 0 | 0 | 0 | 0 | 108.2 | I202 L204 R219 I220 N221 F223 F256 | I202-V213 HydrophobicContact CB-CG1 4.34Å; I202-V213 HydrophobicContact CD1-CG1 3.98Å; L204-V213 HydrophobicContact CD2-CB 4.46Å; L204-V213 HydrophobicContact CD2-CG1 4.29Å; L204-V213 HydrophobicContact CD2-CG2 3.86Å; V213-R219 CarbonylContact O-C 3.59Å; V213-R219 WeakPolarHBondContact O-CA 3.48Å; V213-I220 HydrophobicContact CB-CG1 4.01Å; V213-I220 HydrophobicContact CG1-CD1 3.85Å; V213-I220 HydrophobicContact CG1-CG1 3.83Å; V213-I220 WeakPolarHBondContact O-CG1 3.29Å; V213-I220 PolarHBondContact O-N 3.4Å; V213-N221 HydrophobicContact CB-CB 3.96Å; V213-N221 HydrophobicContact CG2-CB 4.02Å; V213-N221 PolarHBondContact N-O 2.76Å; V213-N221 PolarHBondContact O-N 2.86Å; V213-F223 HydrophobicContact CG2-CD2 4.32Å; V213-F223 HydrophobicContact CG2-CE2 3.59Å; V213-F223 HydrophobicContact CG2-CZ 4.42Å; V213-F256 HydrophobicContact CG2-CE1 4.29Å; V213-F256 HydrophobicContact CG2-CZ 4.11Å |
| 214 | Y | 96 | Very high | 94.4 | Very high | 12 Ų | 12 | 53.4 Ų | 53.4 | 5% | 0.047 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 139 | 177.9 | -58.9 | -99.6 | 0 | 0 | 0 | 110.6 | M186 V189 L191 I202 I203 L212 L218 R219 | M186-Y214 HydrophobicContact SD-CE1 3.95Å; V189-Y214 HydrophobicContact CG1-CE2 4.33Å; L191-Y214 HydrophobicContact CD2-CD2 4.5Å; L191-Y214 HydrophobicContact CD2-CE2 4.32Å; I202-Y214 CarbonylContact C-O 3.57Å; I202-Y214 WeakPolarHBondContact CA-O 3.39Å; I202-Y214 WeakPolarHBondContact CB-O 3.44Å; I203-Y214 PolarHBondContact N-O 3.11Å; I203-Y214 PolarHBondContact O-N 3.35Å; L212-Y214 HydrophobicContact CB-CD2 4.28Å; L212-Y214 HydrophobicContact CB-CE2 3.53Å; L212-Y214 HydrophobicContact CD1-CE2 4.15Å; L212-Y214 WeakPolarHBondContact CD1-OH 3.36Å; L212-Y214 HydrophobicContact CG-CE2 4.49Å; Y214-L218 CarbonylContact C-O 3.59Å; Y214-L218 WeakPolarHBondContact CA-O 3.34Å; Y214-R219 HydrophobicContact CD1-CB 3.84Å; Y214-R219 HydrophobicContact CE1-CB 3.71Å; Y214-R219 HydrophobicContact CE1-CG 4.25Å |
| 215 | K | 93.8 | Very high | 94.2 | Very high | 87 Ų | 87 | 53.7 Ų | 53.7 | 38% | 0.378 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 131.7 | 168.5 | -178.5 | -179.7 | 176.3 | -178.8 | 0 | 107.2 | V200 I202 K217 L218 I220 | V200-K215 HydrophobicContact CG1-CD 4.4Å; I202-K215 HydrophobicContact CG2-CB 4.5Å; K215-K217 PolarHBondContact O-N 3.12Å; K215-K217 VanDerWaalsContact O-N 3.08Å; K215-L218 PolarHBondContact N-O 3.06Å; K215-L218 WeakPolarHBondContact O-CA 3.49Å; K215-L218 WeakPolarHBondContact O-CB 3.26Å; K215-L218 PolarHBondContact O-N 3.11Å; K215-L218 VanDerWaalsContact O-O 3.1Å; K215-I220 HydrophobicContact CB-CD1 3.93Å; K215-I220 HydrophobicContact CB-CG1 4.39Å; K215-I220 HydrophobicContact CB-CG2 3.96Å |
| 216 | D | 89 | Confident | 93.9 | Very high | 133 Ų | 133 | 57 Ų | 57 | 71% | 0.711 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.3 | 37.9 | -178.9 | -54 | -42 | 0 | 0 | 0 | 113.7 | L218 | D216-L218 PolarHBondContact O-N 3.35Å; D216-L218 VanDerWaalsContact O-N 3.15Å |
| 217 | K | 82.6 | Confident | 93.6 | Very high | 196 Ų | 196 | 63 Ų | 63 | 85% | 0.852 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.2 | -2.1 | -175.3 | -49.8 | 174.4 | -178.5 | 175.3 | 0 | 115.4 | K215 | K215-K217 PolarHBondContact O-N 3.12Å; K215-K217 VanDerWaalsContact O-N 3.08Å |
| 218 | L | 88.5 | Confident | 93.2 | Very high | 126 Ų | 126 | 63 Ų | 63 | 66% | 0.66 | 31% | 0.305 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 133.8 | 172.7 | -67.1 | 167.7 | 0 | 0 | 0 | 110 | Y214 K215 D216 I220 | Y214-L218 CarbonylContact C-O 3.59Å; Y214-L218 WeakPolarHBondContact CA-O 3.34Å; K215-L218 PolarHBondContact N-O 3.06Å; K215-L218 WeakPolarHBondContact O-CA 3.49Å; K215-L218 WeakPolarHBondContact O-CB 3.26Å; K215-L218 PolarHBondContact O-N 3.11Å; K215-L218 VanDerWaalsContact O-O 3.1Å; D216-L218 PolarHBondContact O-N 3.35Å; D216-L218 VanDerWaalsContact O-N 3.15Å; L218-I220 PolarHBondContact O-N 3.13Å |
| 219 | R | 93.9 | Very high | 92.8 | Very high | 143 Ų | 143 | 65.3 Ų | 65.3 | 54% | 0.54 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 110.5 | 174.2 | -175.6 | -177.8 | 64.6 | -164 | 1 | 109 | V213 Y214 | V213-R219 CarbonylContact O-C 3.59Å; V213-R219 WeakPolarHBondContact O-CA 3.48Å; Y214-R219 HydrophobicContact CD1-CB 3.84Å; Y214-R219 HydrophobicContact CE1-CB 3.71Å; Y214-R219 HydrophobicContact CE1-CG 4.25Å |
| 220 | I | 93.1 | Very high | 92.6 | Very high | 99 Ų | 99 | 69.7 Ų | 69.7 | 51% | 0.508 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | -24 | -178.6 | 59.1 | 166.1 | 0 | 0 | 0 | 113.3 | V213 K215 L218 | V213-I220 HydrophobicContact CB-CG1 4.01Å; V213-I220 HydrophobicContact CG1-CD1 3.85Å; V213-I220 HydrophobicContact CG1-CG1 3.83Å; V213-I220 WeakPolarHBondContact O-CG1 3.29Å; V213-I220 PolarHBondContact O-N 3.4Å; K215-I220 HydrophobicContact CB-CD1 3.93Å; K215-I220 HydrophobicContact CB-CG1 4.39Å; K215-I220 HydrophobicContact CB-CG2 3.96Å; L218-I220 PolarHBondContact O-N 3.13Å |
| 221 | N | 93 | Very high | 92.4 | Very high | 77 Ų | 77 | 70.9 Ų | 70.9 | 41% | 0.412 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 159.5 | -179.4 | -152.2 | -22.9 | 0 | 0 | 0 | 112.3 | V213 F223 | V213-N221 HydrophobicContact CB-CB 3.96Å; V213-N221 HydrophobicContact CG2-CB 4.02Å; V213-N221 PolarHBondContact N-O 2.76Å; V213-N221 PolarHBondContact O-N 2.86Å; N221-F223 HydrophobicContact CB-CZ 4.37Å; N221-F223 WeakPolarHBondContact ND2-CZ 3.22Å |
| 222 | R | 95 | Very high | 92.3 | Very high | 119 Ų | 119 | 72.9 Ų | 72.9 | 45% | 0.449 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 132.2 | 177.6 | 176.3 | 175.3 | -174.3 | -148.9 | 5.1 | 110.6 | S209 L211 L212 P224 | S209-R222 PolarHBondContact OG-NH2 3.24Å; L211-R222 CarbonylContact O-C 3.58Å; L211-R222 WeakPolarHBondContact O-CA 3.48Å; L212-R222 HydrophobicContact CD2-CB 4.07Å; L212-R222 HydrophobicContact CD2-CG 3.73Å; R222-P224 HydrophobicContact CG-CG 4.36Å; R222-P224 WeakPolarHBondContact O-CD 3.41Å |
| 223 | F | 94.7 | Very high | 92.2 | Very high | 13 Ų | 13 | 74.6 Ų | 74.6 | 6% | 0.057 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 93 | 175 | -53.2 | -62.8 | 0 | 0 | 0 | 109.5 | G210 L211 V213 N221 V228 I240 I242 I254 F256 | G210-F223 CarbonylContact C-O 3.56Å; G210-F223 VanDerWaalsContact CA-O 3.23Å; G210-F223 WeakPolarHBondContact CA-O 3.48Å; L211-F223 HydrophobicContact CB-CB 4.1Å; L211-F223 HydrophobicContact CB-CD2 4.02Å; L211-F223 PolarHBondContact N-O 2.86Å; L211-F223 PolarHBondContact O-N 3.12Å; V213-F223 HydrophobicContact CG2-CD2 4.32Å; V213-F223 HydrophobicContact CG2-CE2 3.59Å; V213-F223 HydrophobicContact CG2-CZ 4.42Å; N221-F223 HydrophobicContact CB-CZ 4.37Å; N221-F223 WeakPolarHBondContact ND2-CZ 3.22Å; F223-V228 HydrophobicContact CB-CG2 4.19Å; F223-I240 HydrophobicContact CB-CD1 4.13Å; F223-I240 HydrophobicContact CD1-CD1 4.02Å; F223-I240 HydrophobicContact CD2-CD1 3.38Å; F223-I240 HydrophobicContact CE1-CD1 4.26Å; F223-I240 HydrophobicContact CE2-CD1 3.67Å; F223-I240 HydrophobicContact CG-CD1 3.55Å; F223-I240 HydrophobicContact CZ-CD1 4.09Å; F223-I242 HydrophobicContact CD1-CD1 3.22Å; F223-I242 HydrophobicContact CE1-CD1 3.5Å; F223-I242 HydrophobicContact CG-CD1 4.08Å; F223-I254 HydrophobicContact CD1-CD1 4.29Å; F223-I254 HydrophobicContact CE1-CD1 3.32Å; F223-I254 HydrophobicContact CE2-CD1 4.49Å; F223-I254 HydrophobicContact CZ-CD1 3.44Å; F223-I254 VanDerWaalsContact CZ-CD1 3.44Å; F223-F256 HydrophobicContact CE2-CE2 4.47Å; F223-F256 AromaticContact CE2-CZ 3.94Å; F223-F256 HydrophobicContact CE2-CZ 3.94Å; F223-F256 HydrophobicContact CZ-CZ 4.47Å |
| 224 | P | 94.6 | Very high | 92 | Very high | 33 Ų | 33 | 81.2 Ų | 81.2 | 21% | 0.214 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 140.9 | 179.4 | -20.8 | 32.9 | 0 | 0 | 0 | 111.2 | S209 R222 P226 K227 V228 | S209-P224 WeakPolarHBondContact O-CA 3.41Å; R222-P224 HydrophobicContact CG-CG 4.36Å; R222-P224 WeakPolarHBondContact O-CD 3.41Å; P224-P226 VanDerWaalsContact C-CD 3.4Å; P224-P226 VanDerWaalsContact C-N 3.3Å; P224-P226 VanDerWaalsContact O-N 3.17Å; P224-K227 PolarHBondContact O-N 3.19Å; P224-V228 PolarHBondContact O-N 2.96Å |
| 225 | W | 94.3 | Very high | 91.9 | Very high | 7 Ų | 7 | 90.2 Ų | 90.2 | 3% | 0.027 | 42% | 0.418 | C | S | . | . | G | 310 helix | trans | -50.7 | -41.2 | 179.8 | -62.1 | 134.9 | 0 | 0 | 0 | 114.7 | V206 C207 S208 S209 G210 L211 K227 V228 I231 C271 H274 H275 R279 | V206-W225 HydrophobicContact CG1-CH2 3.79Å; V206-W225 HydrophobicContact CG1-CZ2 3.68Å; C207-W225 WeakPolarHBondContact O-CZ2 3.38Å; C207-W225 PolarHBondContact O-NE1 3Å; S208-W225 PolarHBondContact O-NE1 3.17Å; S208-W225 VanDerWaalsContact O-NE1 3.14Å; S209-W225 PolarHBondContact O-N 2.86Å; G210-W225 VanDerWaalsContact N-NE1 3.18Å; L211-W225 HydrophobicContact CD1-CH2 3.1Å; L211-W225 HydrophobicContact CD1-CZ2 4.15Å; L211-W225 HydrophobicContact CD1-CZ3 3.35Å; W225-K227 PolarHBondContact O-N 3.4Å; W225-K227 VanDerWaalsContact O-N 3.15Å; W225-V228 HydrophobicContact CE3-CG2 4.34Å; W225-V228 PolarHBondContact O-N 3.24Å; W225-V228 VanDerWaalsContact O-N 3.08Å; W225-I231 HydrophobicContact CZ3-CD1 3.98Å; W225-C271 HydrophobicContact CH2-CB 4.25Å; W225-H274 HydrophobicContact CH2-CB 4.48Å; W225-H274 HydrophobicContact CZ2-CB 3.76Å; W225-H275 HydrophobicContact CD2-CB 4.31Å; W225-H275 HydrophobicContact CE3-CB 4.15Å; W225-H275 HydrophobicContact CZ3-CB 4.37Å; W225-R279 HydrophobicContact CB-CB 4.24Å; W225-R279 HydrophobicContact CB-CG 4.47Å |
| 226 | P | 90.7 | Very high | 92 | Very high | 70 Ų | 70 | 86.9 Ų | 86.9 | 46% | 0.455 | 41% | 0.406 | S | S | . | . | G | 310 helix | trans | -60.1 | -25.2 | 177.7 | -25.9 | 36.1 | 0 | 0 | 0 | 115.1 | P224 | P224-P226 VanDerWaalsContact C-CD 3.4Å; P224-P226 VanDerWaalsContact C-N 3.3Å; P224-P226 VanDerWaalsContact O-N 3.17Å |
| 227 | K | 90.3 | Very high | 92.4 | Very high | 124 Ų | 124 | 82 Ų | 82 | 54% | 0.539 | 38% | 0.382 | S | S | . | . | G | 310 helix | trans | -88.3 | -15.5 | 178.7 | -63.9 | -165.9 | 175.1 | -170.6 | 0 | 112.9 | P224 W225 L229 I242 R243 | P224-K227 PolarHBondContact O-N 3.19Å; W225-K227 PolarHBondContact O-N 3.4Å; W225-K227 VanDerWaalsContact O-N 3.15Å; K227-L229 PolarHBondContact O-N 3.15Å; K227-I242 HydrophobicContact CB-CG2 3.99Å; K227-I242 CarbonylContact O-C 3.55Å; K227-I242 WeakPolarHBondContact O-CA 3.43Å; K227-I242 WeakPolarHBondContact O-CG2 3.47Å; K227-R243 PolarHBondContact O-N 3.04Å |
| 228 | V | 90.3 | Very high | 93.1 | Very high | 10 Ų | 10 | 72.7 Ų | 72.7 | 6% | 0.061 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 113.7 | -177.8 | -179.6 | 0 | 0 | 0 | 0 | 110 | F223 P224 W225 I231 | F223-V228 HydrophobicContact CB-CG2 4.19Å; P224-V228 PolarHBondContact O-N 2.96Å; W225-V228 HydrophobicContact CE3-CG2 4.34Å; W225-V228 PolarHBondContact O-N 3.24Å; W225-V228 VanDerWaalsContact O-N 3.08Å; V228-I231 HydrophobicContact CG1-CD1 3.96Å; V228-I231 HydrophobicContact CG1-CG1 3.57Å |
| 229 | L | 87.8 | Confident | 93.4 | Very high | 71 Ų | 71 | 69.7 Ų | 69.7 | 37% | 0.372 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | -42.3 | 178.1 | -73.1 | 176.4 | 0 | 0 | 0 | 112.9 | K227 K241 R243 E251 | K227-L229 PolarHBondContact O-N 3.15Å; L229-K241 HydrophobicContact CB-CB 4.42Å; L229-K241 WeakPolarHBondContact CB-O 3.5Å; L229-K241 PolarHBondContact N-O 3.44Å; L229-R243 HydrophobicContact CD1-CB 4.45Å; L229-R243 HydrophobicContact CD1-CG 3.81Å; L229-R243 HydrophobicContact CD2-CG 3.36Å; L229-R243 VanDerWaalsContact CD2-NE 3.31Å; L229-R243 HydrophobicContact CG-CB 4.38Å; L229-R243 HydrophobicContact CG-CG 3.42Å; L229-R243 VanDerWaalsContact CG-CG 3.42Å; L229-E251 HydrophobicContact CD1-CG 4.3Å; L229-E251 WeakPolarHBondContact CD1-OE1 3.26Å |
| 230 | K | 90.3 | Very high | 93.4 | Very high | 132 Ų | 132 | 62.9 Ų | 62.9 | 57% | 0.574 | 30% | 0.298 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 139.8 | -173.2 | -171.3 | 175.5 | -179.5 | 176.6 | 0 | 110.8 | I240 K241 | K230-I240 CarbonylContact O-C 3.53Å; K230-I240 WeakPolarHBondContact O-CA 3.5Å; K230-K241 HydrophobicContact CB-CB 3.94Å; K230-K241 PolarHBondContact N-O 3.3Å; K230-K241 PolarHBondContact O-N 2.91Å |
| 231 | I | 92.9 | Very high | 93.4 | Very high | 26 Ų | 26 | 61 Ų | 61 | 13% | 0.133 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 127.4 | 174.7 | -48.8 | -176.4 | 0 | 0 | 0 | 108.3 | W225 V228 F238 I240 W268 C271 | W225-I231 HydrophobicContact CZ3-CD1 3.98Å; V228-I231 HydrophobicContact CG1-CD1 3.96Å; V228-I231 HydrophobicContact CG1-CG1 3.57Å; I231-F238 HydrophobicContact CG2-CD2 4.46Å; I231-F238 HydrophobicContact CG2-CE2 3.31Å; I231-F238 HydrophobicContact CG2-CZ 3.38Å; I231-I240 HydrophobicContact CG2-CG2 4.41Å; I231-W268 PolarHBondContact O-NE1 2.82Å; I231-C271 HydrophobicContact CD1-CB 3.69Å; I231-C271 HydrophobicContact CG2-CB 4.11Å |
| 232 | S | 93.5 | Very high | 93.2 | Very high | 43 Ų | 43 | 58.4 Ų | 58.4 | 30% | 0.301 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 166 | -178.5 | 66.5 | 0 | 0 | 0 | 0 | 111.9 | F239 | S232-F239 PolarHBondContact N-O 2.94Å; S232-F239 PolarHBondContact O-N 3.14Å |
| 233 | Y | 95.3 | Very high | 92.6 | Very high | 40 Ų | 40 | 59.7 Ų | 59.7 | 16% | 0.157 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 149.8 | 174.5 | 76.1 | -73.9 | 0 | 0 | 0 | 109.8 | S237 Y261 A264 K265 W268 | Y233-S237 CarbonylContact C-O 3.56Å; Y233-S237 WeakPolarHBondContact CA-O 3.24Å; Y233-S237 WeakPolarHBondContact CB-O 3.5Å; Y233-Y261 HydrophobicContact CD2-CE2 4.43Å; Y233-Y261 HydrophobicContact CE2-CD2 4.11Å; Y233-Y261 AromaticContact CE2-CE2 3.55Å; Y233-Y261 HydrophobicContact CE2-CE2 3.55Å; Y233-A264 HydrophobicContact CD2-CB 4.15Å; Y233-K265 HydrophobicContact CD2-CB 4.43Å; Y233-K265 HydrophobicContact CE2-CB 3.74Å; Y233-K265 HydrophobicContact CE2-CG 4.19Å; Y233-W268 HydrophobicContact CD1-CB 3.61Å; Y233-W268 AromaticContact CD1-CD1 3.71Å; Y233-W268 AromaticContact CD1-CD2 3.59Å; Y233-W268 HydrophobicContact CD1-CD2 3.59Å; Y233-W268 HydrophobicContact CD1-CE3 4.11Å; Y233-W268 AromaticContact CD1-CG 3.32Å; Y233-W268 HydrophobicContact CD1-CG 3.32Å; Y233-W268 HydrophobicContact CE1-CB 4.21Å; Y233-W268 AromaticContact CE1-CD2 3.52Å; Y233-W268 HydrophobicContact CE1-CD2 3.52Å; Y233-W268 AromaticContact CE1-CE3 3.59Å; Y233-W268 HydrophobicContact CE1-CE3 3.59Å; Y233-W268 AromaticContact CE1-CG 3.79Å; Y233-W268 HydrophobicContact CE1-CG 3.79Å; Y233-W268 HydrophobicContact CE1-CZ3 4.23Å; Y233-W268 HydrophobicContact CG-CB 4.09Å; Y233-W268 HydrophobicContact CG-CG 4.24Å |
| 234 | K | 93.4 | Very high | 91.7 | Very high | 145 Ų | 145 | 61.5 Ų | 61.5 | 63% | 0.63 | 29% | 0.29 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 125 | 176.3 | -176 | 179.8 | 179 | -177.7 | 0 | 109 | S236 S237 F239 | K234-S236 PolarHBondContact O-N 2.8Å; K234-S237 PolarHBondContact N-O 3.18Å; K234-S237 WeakPolarHBondContact O-CB 3.4Å; K234-S237 PolarHBondContact O-N 2.84Å; K234-F239 HydrophobicContact CB-CE2 4.26Å |
| 235 | R | 93.4 | Very high | 90.4 | Very high | 200 Ų | 200 | 61.8 Ų | 61.8 | 76% | 0.755 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.6 | -123.5 | -171.2 | -60 | 177.8 | 177.5 | 164.9 | -3.5 | 109.1 | Y261 | R235-Y261 WeakPolarHBondContact O-CA 3.38Å; R235-Y261 WeakPolarHBondContact O-CD2 3.26Å |
| 236 | S | 96.2 | Very high | 89.1 | Confident | 18 Ų | 18 | 71.3 Ų | 71.3 | 13% | 0.126 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | 9.9 | 175.1 | 73.5 | 0 | 0 | 0 | 0 | 113.9 | K234 K257 L258 S260 | K234-S236 PolarHBondContact O-N 2.8Å; S236-K257 WeakPolarHBondContact OG-CD 3.22Å; S236-K257 WeakPolarHBondContact OG-CE 3.34Å; S236-K257 PolarHBondContact OG-NZ 3.43Å; S236-L258 VanDerWaalsContact CB-O 3.3Å; S236-L258 WeakPolarHBondContact CB-O 3.43Å; S236-L258 WeakPolarHBondContact O-CA 3.49Å; S236-L258 WeakPolarHBondContact O-CB 3.4Å; S236-L258 PolarHBondContact O-N 3.35Å; S236-L258 PolarHBondContact OG-O 3.43Å; S236-S260 VanDerWaalsContact CB-C 3.48Å |
| 237 | S | 96.4 | Very high | 87.3 | Confident | 30 Ų | 30 | 76.9 Ų | 76.9 | 21% | 0.21 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 140.1 | 176.8 | -58.5 | 0 | 0 | 0 | 0 | 110.8 | Y233 K234 F256 | Y233-S237 CarbonylContact C-O 3.56Å; Y233-S237 WeakPolarHBondContact CA-O 3.24Å; Y233-S237 WeakPolarHBondContact CB-O 3.5Å; K234-S237 PolarHBondContact N-O 3.18Å; K234-S237 WeakPolarHBondContact O-CB 3.4Å; K234-S237 PolarHBondContact O-N 2.84Å; S237-F256 CarbonylContact C-O 3.49Å; S237-F256 VanDerWaalsContact CA-O 3.29Å; S237-F256 WeakPolarHBondContact CA-O 3.33Å |
| 238 | F | 97.3 | Very high | 85.9 | Confident | 0 Ų | 0 | 75.7 Ų | 75.7 | 0% | 0 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 138.9 | 178.9 | 173.7 | -98.1 | 0 | 0 | 0 | 108.8 | L204 L211 I231 I240 G255 F256 L258 L267 W268 | L204-F238 HydrophobicContact CD1-CD1 4.44Å; L211-F238 HydrophobicContact CD2-CE1 3.68Å; L211-F238 HydrophobicContact CD2-CZ 4.03Å; I231-F238 HydrophobicContact CG2-CD2 4.46Å; I231-F238 HydrophobicContact CG2-CE2 3.31Å; I231-F238 HydrophobicContact CG2-CZ 3.38Å; F238-I240 HydrophobicContact CE1-CG2 3.6Å; F238-I240 HydrophobicContact CZ-CG2 3.82Å; F238-G255 CarbonylContact O-C 3.45Å; F238-G255 WeakPolarHBondContact O-CA 3.45Å; F238-F256 AromaticContact CD1-CD2 3.88Å; F238-F256 HydrophobicContact CD1-CD2 3.88Å; F238-F256 HydrophobicContact CE1-CD2 4.39Å; F238-F256 PolarHBondContact N-O 2.96Å; F238-F256 PolarHBondContact O-N 3.08Å; F238-L258 HydrophobicContact CB-CD1 3.95Å; F238-L267 HydrophobicContact CB-CD2 4.31Å; F238-L267 HydrophobicContact CD1-CD2 3.69Å; F238-L267 HydrophobicContact CD2-CD2 3.96Å; F238-L267 HydrophobicContact CD2-CG 4.14Å; F238-L267 HydrophobicContact CE1-CD2 3.94Å; F238-L267 HydrophobicContact CE1-CG 4.46Å; F238-L267 HydrophobicContact CE2-CD2 4.17Å; F238-L267 HydrophobicContact CE2-CG 4.03Å; F238-L267 HydrophobicContact CG-CD2 3.72Å; F238-L267 HydrophobicContact CG-CG 4.4Å; F238-L267 HydrophobicContact CZ-CD2 4.16Å; F238-L267 HydrophobicContact CZ-CG 4.2Å; F238-W268 HydrophobicContact CD2-CB 4.25Å; F238-W268 HydrophobicContact CE2-CB 4.19Å |
| 239 | F | 95.6 | Very high | 84.2 | Confident | 63 Ų | 63 | 82.7 Ų | 82.7 | 28% | 0.276 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 138.2 | -173.9 | -55.4 | -86.1 | 0 | 0 | 0 | 111.3 | S232 K234 T253 I254 | S232-F239 PolarHBondContact N-O 2.94Å; S232-F239 PolarHBondContact O-N 3.14Å; K234-F239 HydrophobicContact CB-CE2 4.26Å; F239-T253 HydrophobicContact CB-CG2 4.42Å; F239-I254 CarbonylContact C-O 3.46Å; F239-I254 VanDerWaalsContact CA-O 3.27Å; F239-I254 WeakPolarHBondContact CA-O 3.39Å |
| 240 | I | 94.3 | Very high | 82.5 | Confident | 1 Ų | 1 | 87.4 Ų | 87.4 | 1% | 0.005 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 137.3 | 169.5 | 60.3 | 177.6 | 0 | 0 | 0 | 109.5 | L211 F223 K230 I231 F238 I242 T253 I254 F256 | L211-I240 HydrophobicContact CD2-CG2 4.21Å; F223-I240 HydrophobicContact CB-CD1 4.13Å; F223-I240 HydrophobicContact CD1-CD1 4.02Å; F223-I240 HydrophobicContact CD2-CD1 3.38Å; F223-I240 HydrophobicContact CE1-CD1 4.26Å; F223-I240 HydrophobicContact CE2-CD1 3.67Å; F223-I240 HydrophobicContact CG-CD1 3.55Å; F223-I240 HydrophobicContact CZ-CD1 4.09Å; K230-I240 CarbonylContact O-C 3.53Å; K230-I240 WeakPolarHBondContact O-CA 3.5Å; I231-I240 HydrophobicContact CG2-CG2 4.41Å; F238-I240 HydrophobicContact CE1-CG2 3.6Å; F238-I240 HydrophobicContact CZ-CG2 3.82Å; I240-I242 HydrophobicContact CD1-CD1 4.06Å; I240-I242 HydrophobicContact CD1-CG1 4.38Å; I240-I242 HydrophobicContact CG1-CG1 4.42Å; I240-T253 CarbonylContact O-C 3.57Å; I240-T253 WeakPolarHBondContact O-CA 3.26Å; I240-I254 HydrophobicContact CD1-CB 4.27Å; I240-I254 HydrophobicContact CD1-CD1 4.43Å; I240-I254 HydrophobicContact CG1-CB 3.78Å; I240-I254 HydrophobicContact CG1-CG1 4.49Å; I240-I254 PolarHBondContact N-O 2.99Å; I240-I254 PolarHBondContact O-N 3.21Å; I240-F256 HydrophobicContact CD1-CE2 4.18Å; I240-F256 HydrophobicContact CG1-CE2 4.35Å |
| 241 | K | 91.4 | Very high | 81.6 | Confident | 59 Ų | 59 | 86 Ų | 86 | 26% | 0.257 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 127.4 | 170.5 | -164.3 | -177.8 | -168.4 | -159.4 | 0 | 107.8 | L229 K230 E251 | L229-K241 HydrophobicContact CB-CB 4.42Å; L229-K241 WeakPolarHBondContact CB-O 3.5Å; L229-K241 PolarHBondContact N-O 3.44Å; K230-K241 HydrophobicContact CB-CB 3.94Å; K230-K241 PolarHBondContact N-O 3.3Å; K230-K241 PolarHBondContact O-N 2.91Å; K241-E251 VanDerWaalsContact CE-OE1 3.29Å; K241-E251 WeakPolarHBondContact CE-OE1 3.48Å; K241-E251 WeakPolarHBondContact CE-OE2 3.26Å; K241-E251 HydrophobicContact CG-CB 4.4Å; K241-E251 IonicContact NZ-OE1 2.74Å; K241-E251 PolarHBondContact NZ-OE1 2.71Å; K241-E251 IonicContact NZ-OE2 3.14Å; K241-E251 PolarHBondContact NZ-OE2 3.3Å |
| 242 | I | 89.3 | Confident | 81 | Confident | 22 Ų | 22 | 87.3 Ų | 87.3 | 11% | 0.113 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 146.8 | -175.5 | -52.9 | -176.2 | 0 | 0 | 0 | 108.9 | F223 K227 I240 S252 I254 | F223-I242 HydrophobicContact CD1-CD1 3.22Å; F223-I242 HydrophobicContact CE1-CD1 3.5Å; F223-I242 HydrophobicContact CG-CD1 4.08Å; K227-I242 HydrophobicContact CB-CG2 3.99Å; K227-I242 CarbonylContact O-C 3.55Å; K227-I242 WeakPolarHBondContact O-CA 3.43Å; K227-I242 WeakPolarHBondContact O-CG2 3.47Å; I240-I242 HydrophobicContact CD1-CD1 4.06Å; I240-I242 HydrophobicContact CD1-CG1 4.38Å; I240-I242 HydrophobicContact CG1-CG1 4.42Å; I242-S252 PolarHBondContact N-O 2.67Å; I242-I254 HydrophobicContact CD1-CD1 3.49Å; I242-I254 VanDerWaalsContact CD1-CD1 3.49Å; I242-I254 HydrophobicContact CD1-CG1 4.27Å |
| 243 | R | 81.7 | Confident | 80.7 | Confident | 147 Ų | 147 | 89.5 Ų | 89.5 | 56% | 0.555 | 42% | 0.424 | S | S | * | . | P | Polyproline II helix | trans | -59 | 140.3 | 169.8 | -71.4 | -171.1 | -176.8 | -173.6 | -0.3 | 110 | K227 L229 | K227-R243 PolarHBondContact O-N 3.04Å; L229-R243 HydrophobicContact CD1-CB 4.45Å; L229-R243 HydrophobicContact CD1-CG 3.81Å; L229-R243 HydrophobicContact CD2-CG 3.36Å; L229-R243 VanDerWaalsContact CD2-NE 3.31Å; L229-R243 HydrophobicContact CG-CB 4.38Å; L229-R243 HydrophobicContact CG-CG 3.42Å; L229-R243 VanDerWaalsContact CG-CG 3.42Å |
| 244 | P | 75.9 | Confident | 80.6 | Confident | 50 Ų | 50 | 89.5 Ų | 89.5 | 33% | 0.325 | 43% | 0.426 | S | S | . | . | P | Polyproline II helix | trans | -56.9 | 142.2 | 167.5 | -8.8 | 21.3 | 0 | 0 | 0 | 109.8 | E248 Y250 E251 | P244-E248 HydrophobicContact CB-CB 4.44Å; P244-E248 WeakPolarHBondContact CB-O 3.4Å; P244-Y250 WeakPolarHBondContact CB-O 3.45Å; P244-E251 HydrophobicContact CG-CG 4.02Å |
| 245 | G | 68.6 | Low | 80.6 | Confident | 39 Ų | 39 | 82.8 Ų | 82.8 | 40% | 0.402 | 40% | 0.398 | S | S | . | . | P | Polyproline II helix | trans | -67.6 | 171.6 | 168 | 0 | 0 | 0 | 0 | 0 | 112 | Q247 E248 | G245-Q247 PolarHBondContact O-N 2.91Å; G245-E248 PolarHBondContact O-N 2.79Å; G245-E248 VanDerWaalsContact O-N 3.14Å |
| 246 | E | 66.1 | Low | 80.8 | Confident | 207 Ų | 207 | 73.9 Ų | 73.9 | 97% | 0.967 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -59.6 | -27.1 | 178.1 | -73.6 | 174.6 | -180 | 0 | 0 | 113.1 | ||
| 247 | Q | 52.9 | Low | 80.9 | Confident | 187 Ų | 187 | 77.7 Ų | 77.7 | 87% | 0.874 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -100 | -12.5 | 177.1 | -66.6 | 178.2 | -21.9 | 0 | 0 | 113.9 | G245 | G245-Q247 PolarHBondContact O-N 2.91Š|
| 248 | E | 60.5 | Low | 80.9 | Confident | 99 Ų | 99 | 76.5 Ų | 76.5 | 46% | 0.463 | 37% | 0.371 | S | S | . | . | trans | -99.3 | 125 | 180 | -68.7 | -177.9 | 163.1 | 0 | 0 | 109.4 | P244 G245 Y250 | P244-E248 HydrophobicContact CB-CB 4.44Å; P244-E248 WeakPolarHBondContact CB-O 3.4Å; G245-E248 PolarHBondContact O-N 2.79Å; G245-E248 VanDerWaalsContact O-N 3.14Å; E248-Y250 VanDerWaalsContact C-N 3.33Å | ||
| 249 | H | 54.8 | Low | 80.8 | Confident | 158 Ų | 158 | 81.2 Ų | 81.2 | 73% | 0.731 | 40% | 0.401 | S | S | * | . | trans | -87.6 | 1.8 | -179.5 | -65.3 | -55.2 | 0 | 0 | 0 | 114.2 | ||||
| 250 | Y | 52.5 | Low | 80.8 | Confident | 170 Ų | 170 | 80.6 Ų | 80.6 | 67% | 0.667 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -126.2 | 141.4 | -170.1 | -28.1 | -78.7 | 0 | 0 | 0 | 112.5 | P244 E248 S252 | P244-Y250 WeakPolarHBondContact CB-O 3.45Å; E248-Y250 VanDerWaalsContact C-N 3.33Å; Y250-S252 PolarHBondContact O-N 3.08Å |
| 251 | E | 70.9 | Confident | 80.9 | Confident | 103 Ų | 103 | 86 Ų | 86 | 48% | 0.481 | 43% | 0.426 | S | S | . | . | trans | -75.4 | 114.1 | 174.3 | -61.9 | 170.2 | 110.2 | 0 | 0 | 110.6 | L229 K241 P244 | L229-E251 HydrophobicContact CD1-CG 4.3Å; L229-E251 WeakPolarHBondContact CD1-OE1 3.26Å; K241-E251 VanDerWaalsContact CE-OE1 3.29Å; K241-E251 WeakPolarHBondContact CE-OE1 3.48Å; K241-E251 WeakPolarHBondContact CE-OE2 3.26Å; K241-E251 HydrophobicContact CG-CB 4.4Å; K241-E251 IonicContact NZ-OE1 2.74Å; K241-E251 PolarHBondContact NZ-OE1 2.71Å; K241-E251 IonicContact NZ-OE2 3.14Å; K241-E251 PolarHBondContact NZ-OE2 3.3Å; P244-E251 HydrophobicContact CG-CG 4.02Å | ||
| 252 | S | 80.6 | Confident | 80.9 | Confident | 52 Ų | 52 | 93.2 Ų | 93.2 | 36% | 0.364 | 45% | 0.451 | S | S | . | . | trans | -80.6 | 125.3 | 179.3 | -69 | 0 | 0 | 0 | 0 | 111.8 | I242 Y250 | I242-S252 PolarHBondContact N-O 2.67Å; Y250-S252 PolarHBondContact O-N 3.08Å | ||
| 253 | T | 88.6 | Confident | 81.2 | Confident | 89 Ų | 89 | 93.3 Ų | 93.3 | 55% | 0.546 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 118.7 | 172.4 | -59.4 | 0 | 0 | 0 | 0 | 110.1 | F239 I240 | F239-T253 HydrophobicContact CB-CG2 4.42Å; I240-T253 CarbonylContact O-C 3.57Å; I240-T253 WeakPolarHBondContact O-CA 3.26Å |
| 254 | I | 91.3 | Very high | 81.9 | Confident | 41 Ų | 41 | 86.3 Ų | 86.3 | 21% | 0.21 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 132.9 | -179.1 | -52.4 | -180 | 0 | 0 | 0 | 109.1 | F223 F239 I240 I242 F256 | F223-I254 HydrophobicContact CD1-CD1 4.29Å; F223-I254 HydrophobicContact CE1-CD1 3.32Å; F223-I254 HydrophobicContact CE2-CD1 4.49Å; F223-I254 HydrophobicContact CZ-CD1 3.44Å; F223-I254 VanDerWaalsContact CZ-CD1 3.44Å; F239-I254 CarbonylContact C-O 3.46Å; F239-I254 VanDerWaalsContact CA-O 3.27Å; F239-I254 WeakPolarHBondContact CA-O 3.39Å; I240-I254 HydrophobicContact CD1-CB 4.27Å; I240-I254 HydrophobicContact CD1-CD1 4.43Å; I240-I254 HydrophobicContact CG1-CB 3.78Å; I240-I254 HydrophobicContact CG1-CG1 4.49Å; I240-I254 PolarHBondContact N-O 2.99Å; I240-I254 PolarHBondContact O-N 3.21Å; I242-I254 HydrophobicContact CD1-CD1 3.49Å; I242-I254 VanDerWaalsContact CD1-CD1 3.49Å; I242-I254 HydrophobicContact CD1-CG1 4.27Å; I254-F256 HydrophobicContact CB-CE2 4.47Å; I254-F256 HydrophobicContact CG2-CE1 4.22Å; I254-F256 HydrophobicContact CG2-CE2 3.71Å; I254-F256 HydrophobicContact CG2-CZ 3.53Å |
| 255 | G | 94.3 | Very high | 82.7 | Confident | 4 Ų | 4 | 87.2 Ų | 87.2 | 4% | 0.041 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 145.8 | -178 | 0 | 0 | 0 | 0 | 0 | 113 | L197 F238 | L197-G255 WeakPolarHBondContact CG-O 3.31Å; F238-G255 CarbonylContact O-C 3.45Å; F238-G255 WeakPolarHBondContact O-CA 3.45Å |
| 256 | F | 97.5 | Very high | 83.9 | Confident | 12 Ų | 12 | 87.8 Ų | 87.8 | 5% | 0.053 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 145.4 | 177.1 | -56.5 | -78.2 | 0 | 0 | 0 | 110.2 | K195 I202 L204 V213 F223 S237 F238 I240 I254 L258 | K195-F256 CarbonylContact O-C 3.56Å; I202-F256 HydrophobicContact CD1-CD1 3.54Å; I202-F256 HydrophobicContact CD1-CE1 3.86Å; L204-F256 HydrophobicContact CD1-CB 3.97Å; L204-F256 HydrophobicContact CD1-CD1 4.39Å; L204-F256 HydrophobicContact CD1-CD2 4.17Å; L204-F256 HydrophobicContact CD1-CG 3.91Å; L204-F256 HydrophobicContact CD2-CD1 3.99Å; L204-F256 HydrophobicContact CD2-CD2 4.42Å; L204-F256 HydrophobicContact CD2-CE1 3.91Å; L204-F256 HydrophobicContact CD2-CE2 4.35Å; L204-F256 HydrophobicContact CD2-CG 4.22Å; L204-F256 HydrophobicContact CD2-CZ 4.08Å; V213-F256 HydrophobicContact CG2-CE1 4.29Å; V213-F256 HydrophobicContact CG2-CZ 4.11Å; F223-F256 HydrophobicContact CE2-CE2 4.47Å; F223-F256 AromaticContact CE2-CZ 3.94Å; F223-F256 HydrophobicContact CE2-CZ 3.94Å; F223-F256 HydrophobicContact CZ-CZ 4.47Å; S237-F256 CarbonylContact C-O 3.49Å; S237-F256 VanDerWaalsContact CA-O 3.29Å; S237-F256 WeakPolarHBondContact CA-O 3.33Å; F238-F256 AromaticContact CD1-CD2 3.88Å; F238-F256 HydrophobicContact CD1-CD2 3.88Å; F238-F256 HydrophobicContact CE1-CD2 4.39Å; F238-F256 PolarHBondContact N-O 2.96Å; F238-F256 PolarHBondContact O-N 3.08Å; I240-F256 HydrophobicContact CD1-CE2 4.18Å; I240-F256 HydrophobicContact CG1-CE2 4.35Å; I254-F256 HydrophobicContact CB-CE2 4.47Å; I254-F256 HydrophobicContact CG2-CE1 4.22Å; I254-F256 HydrophobicContact CG2-CE2 3.71Å; I254-F256 HydrophobicContact CG2-CZ 3.53Å; F256-L258 HydrophobicContact CB-CD1 4.12Å |
| 257 | K | 97.9 | Very high | 85.3 | Confident | 98 Ų | 98 | 77.9 Ų | 77.9 | 43% | 0.426 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 120.3 | 178.7 | -175.3 | 65.1 | 163.7 | -177 | 0 | 110.4 | A194 K195 S236 | A194-K257 CarbonylContact C-O 3.52Å; A194-K257 WeakPolarHBondContact CA-O 3.33Å; K195-K257 HydrophobicContact CB-CB 4.24Å; K195-K257 PolarHBondContact N-O 2.68Å; K195-K257 PolarHBondContact O-N 2.79Å; S236-K257 WeakPolarHBondContact OG-CD 3.22Å; S236-K257 WeakPolarHBondContact OG-CE 3.34Å; S236-K257 PolarHBondContact OG-NZ 3.43Å |
| 258 | L | 97.2 | Very high | 87.4 | Confident | 6 Ų | 6 | 69.9 Ų | 69.9 | 3% | 0.031 | 34% | 0.335 | C | S | . | . | trans | -101 | 159.2 | 179.5 | -82.6 | 61.9 | 0 | 0 | 0 | 110.9 | A194 L204 S236 F238 F256 S260 A263 A264 L267 | A194-L258 HydrophobicContact CB-CD1 3.71Å; A194-L258 HydrophobicContact CB-CG 4.17Å; L204-L258 HydrophobicContact CD1-CD1 4.25Å; S236-L258 VanDerWaalsContact CB-O 3.3Å; S236-L258 WeakPolarHBondContact CB-O 3.43Å; S236-L258 WeakPolarHBondContact O-CA 3.49Å; S236-L258 WeakPolarHBondContact O-CB 3.4Å; S236-L258 PolarHBondContact O-N 3.35Å; S236-L258 PolarHBondContact OG-O 3.43Å; F238-L258 HydrophobicContact CB-CD1 3.95Å; F256-L258 HydrophobicContact CB-CD1 4.12Å; L258-S260 PolarHBondContact O-N 3.16Å; L258-S260 VanDerWaalsContact O-N 3.12Å; L258-A263 HydrophobicContact CB-CB 4.22Å; L258-A263 HydrophobicContact CD2-CB 4.48Å; L258-A264 HydrophobicContact CB-CB 4.23Å; L258-A264 VanDerWaalsContact CD2-CA 3.43Å; L258-A264 HydrophobicContact CD2-CB 4.14Å; L258-L267 HydrophobicContact CD1-CD2 4.28Å; L258-L267 HydrophobicContact CD2-CB 3.78Å; L258-L267 HydrophobicContact CD2-CD2 3.58Å; L258-L267 HydrophobicContact CD2-CG 4.33Å | ||
| 259 | P | 95.7 | Very high | 89 | Confident | 99 Ų | 99 | 67.7 Ų | 67.7 | 64% | 0.643 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -60 | -26.2 | -175.9 | -27 | 34.4 | 0 | 0 | 0 | 114.4 | K193 | K193-P259 HydrophobicContact CB-CG 4.46Å; K193-P259 VanDerWaalsContact O-CD 3.24Å; K193-P259 WeakPolarHBondContact O-CD 2.99Å |
| 260 | S | 95.7 | Very high | 90.9 | Very high | 50 Ų | 50 | 60.3 Ų | 60.3 | 35% | 0.35 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -156.3 | 165.9 | -179.9 | 69.4 | 0 | 0 | 0 | 0 | 112.4 | S236 L258 R262 A263 A264 | S236-S260 VanDerWaalsContact CB-C 3.48Å; L258-S260 PolarHBondContact O-N 3.16Å; L258-S260 VanDerWaalsContact O-N 3.12Å; S260-R262 PolarHBondContact O-N 2.97Å; S260-R262 PolarHBondContact OG-N 3.35Å; S260-A263 PolarHBondContact O-N 3.26Å; S260-A263 PolarHBondContact OG-N 2.86Å; S260-A263 VanDerWaalsContact OG-N 3.1Å; S260-A264 PolarHBondContact O-N 3.5Å |
| 261 | Y | 95.1 | Very high | 93 | Very high | 113 Ų | 113 | 52.2 Ų | 52.2 | 44% | 0.443 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -55.7 | -38.8 | 168.9 | 166.1 | -95.5 | 0 | 0 | 0 | 112.3 | Y233 R235 A264 K265 | Y233-Y261 HydrophobicContact CD2-CE2 4.43Å; Y233-Y261 HydrophobicContact CE2-CD2 4.11Å; Y233-Y261 AromaticContact CE2-CE2 3.55Å; Y233-Y261 HydrophobicContact CE2-CE2 3.55Å; R235-Y261 WeakPolarHBondContact O-CA 3.38Å; R235-Y261 WeakPolarHBondContact O-CD2 3.26Å; Y261-A264 PolarHBondContact O-N 3.26Å; Y261-K265 HydrophobicContact CE1-CD 4.07Å; Y261-K265 WeakPolarHBondContact O-CB 3.45Å; Y261-K265 PolarHBondContact O-N 2.7Å |
| 262 | R | 92.3 | Very high | 94.1 | Very high | 211 Ų | 211 | 48.6 Ų | 48.6 | 80% | 0.796 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -65.5 | -42.5 | 179.1 | -68.1 | -176.3 | -175.9 | 159.6 | 2.7 | 111.2 | S260 K265 K266 | S260-R262 PolarHBondContact O-N 2.97Å; S260-R262 PolarHBondContact OG-N 3.35Å; R262-K265 PolarHBondContact O-N 3.27Å; R262-K266 WeakPolarHBondContact O-CB 3.16Å; R262-K266 PolarHBondContact O-N 2.65Å |
| 263 | A | 94.8 | Very high | 94.7 | Very high | 25 Ų | 25 | 46.9 Ų | 46.9 | 21% | 0.207 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.8 | -45.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | L258 S260 K265 K266 L267 | L258-A263 HydrophobicContact CB-CB 4.22Å; L258-A263 HydrophobicContact CD2-CB 4.48Å; S260-A263 PolarHBondContact O-N 3.26Å; S260-A263 PolarHBondContact OG-N 2.86Å; S260-A263 VanDerWaalsContact OG-N 3.1Å; A263-K265 PolarHBondContact O-N 2.91Å; A263-K266 WeakPolarHBondContact O-CB 3.47Å; A263-K266 PolarHBondContact O-N 2.83Å; A263-L267 PolarHBondContact O-N 2.88Å |
| 264 | A | 96.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.4 | -44.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y233 L258 S260 Y261 W268 | Y233-A264 HydrophobicContact CD2-CB 4.15Å; L258-A264 HydrophobicContact CB-CB 4.23Å; L258-A264 VanDerWaalsContact CD2-CA 3.43Å; L258-A264 HydrophobicContact CD2-CB 4.14Å; S260-A264 PolarHBondContact O-N 3.5Å; Y261-A264 PolarHBondContact O-N 3.26Å; A264-W268 VanDerWaalsContact O-CB 3.28Å; A264-W268 WeakPolarHBondContact O-CB 3.47Å; A264-W268 PolarHBondContact O-N 3.44Å |
| 265 | K | 94.1 | Very high | 95.2 | Very high | 68 Ų | 68 | 43 Ų | 43 | 30% | 0.296 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -64.4 | -39 | 174.7 | -175.4 | 174.1 | -172.4 | 171.6 | 0 | 112.3 | Y233 Y261 R262 A263 K269 | Y233-K265 HydrophobicContact CD2-CB 4.43Å; Y233-K265 HydrophobicContact CE2-CB 3.74Å; Y233-K265 HydrophobicContact CE2-CG 4.19Å; Y261-K265 HydrophobicContact CE1-CD 4.07Å; Y261-K265 WeakPolarHBondContact O-CB 3.45Å; Y261-K265 PolarHBondContact O-N 2.7Å; R262-K265 PolarHBondContact O-N 3.27Å; A263-K265 PolarHBondContact O-N 2.91Å; K265-K269 WeakPolarHBondContact O-CG 3.48Å; K265-K269 PolarHBondContact O-N 3.33Å |
| 266 | K | 93.6 | Very high | 95.1 | Very high | 51 Ų | 51 | 43.8 Ų | 43.8 | 22% | 0.222 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.3 | -55.2 | 177 | -175.5 | -173.9 | -179.2 | -175.9 | 0 | 110.4 | S52 K53 R262 A263 W268 K269 V270 | S52-K266 PolarHBondContact OG-NZ 3.46Å; K53-K266 WeakPolarHBondContact O-CE 3.29Å; K53-K266 PolarHBondContact O-NZ 3.27Å; R262-K266 WeakPolarHBondContact O-CB 3.16Å; R262-K266 PolarHBondContact O-N 2.65Å; A263-K266 WeakPolarHBondContact O-CB 3.47Å; A263-K266 PolarHBondContact O-N 2.83Å; K266-W268 VanDerWaalsContact C-N 3.33Å; K266-W268 PolarHBondContact O-N 3.28Å; K266-K269 WeakPolarHBondContact O-CB 3.48Å; K266-K269 PolarHBondContact O-N 3.16Å; K266-K269 VanDerWaalsContact O-N 3.15Å; K266-V270 WeakPolarHBondContact O-CG2 3.3Å; K266-V270 PolarHBondContact O-N 2.59Å |
| 267 | L | 96.1 | Very high | 95 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -55.5 | -49.5 | 176.8 | 173.8 | 63.7 | 0 | 0 | 0 | 110.7 | H192 L204 V206 F238 L258 A263 K269 V270 C271 | H192-L267 HydrophobicContact CB-CD1 4.25Å; H192-L267 VanDerWaalsContact CD2-CD1 3.47Å; H192-L267 WeakPolarHBondContact CD2-CD1 3.39Å; L204-L267 HydrophobicContact CB-CD2 4.49Å; L204-L267 HydrophobicContact CD1-CD2 3.49Å; L204-L267 VanDerWaalsContact CD1-CD2 3.49Å; V206-L267 HydrophobicContact CG2-CD1 3.54Å; F238-L267 HydrophobicContact CB-CD2 4.31Å; F238-L267 HydrophobicContact CD1-CD2 3.69Å; F238-L267 HydrophobicContact CD2-CD2 3.96Å; F238-L267 HydrophobicContact CD2-CG 4.14Å; F238-L267 HydrophobicContact CE1-CD2 3.94Å; F238-L267 HydrophobicContact CE1-CG 4.46Å; F238-L267 HydrophobicContact CE2-CD2 4.17Å; F238-L267 HydrophobicContact CE2-CG 4.03Å; F238-L267 HydrophobicContact CG-CD2 3.72Å; F238-L267 HydrophobicContact CG-CG 4.4Å; F238-L267 HydrophobicContact CZ-CD2 4.16Å; F238-L267 HydrophobicContact CZ-CG 4.2Å; L258-L267 HydrophobicContact CD1-CD2 4.28Å; L258-L267 HydrophobicContact CD2-CB 3.78Å; L258-L267 HydrophobicContact CD2-CD2 3.58Å; L258-L267 HydrophobicContact CD2-CG 4.33Å; A263-L267 PolarHBondContact O-N 2.88Å; L267-K269 VanDerWaalsContact C-N 3.3Å; L267-K269 PolarHBondContact O-N 2.99Å; L267-V270 PolarHBondContact O-N 3.38Å; L267-V270 VanDerWaalsContact O-N 3.1Å; L267-C271 VanDerWaalsContact CD1-SG 3.54Å; L267-C271 PolarHBondContact O-N 2.81Å; L267-C271 PolarHBondContact O-SG 2.94Å |
| 268 | W | 95.9 | Very high | 94.9 | Very high | 19 Ų | 19 | 39.9 Ų | 39.9 | 7% | 0.072 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -55.4 | -43.3 | 178.2 | 172 | 81.2 | 0 | 0 | 0 | 113.1 | I231 Y233 F238 A264 K266 V272 S296 F298 | I231-W268 PolarHBondContact O-NE1 2.82Å; Y233-W268 HydrophobicContact CD1-CB 3.61Å; Y233-W268 AromaticContact CD1-CD1 3.71Å; Y233-W268 AromaticContact CD1-CD2 3.59Å; Y233-W268 HydrophobicContact CD1-CD2 3.59Å; Y233-W268 HydrophobicContact CD1-CE3 4.11Å; Y233-W268 AromaticContact CD1-CG 3.32Å; Y233-W268 HydrophobicContact CD1-CG 3.32Å; Y233-W268 HydrophobicContact CE1-CB 4.21Å; Y233-W268 AromaticContact CE1-CD2 3.52Å; Y233-W268 HydrophobicContact CE1-CD2 3.52Å; Y233-W268 AromaticContact CE1-CE3 3.59Å; Y233-W268 HydrophobicContact CE1-CE3 3.59Å; Y233-W268 AromaticContact CE1-CG 3.79Å; Y233-W268 HydrophobicContact CE1-CG 3.79Å; Y233-W268 HydrophobicContact CE1-CZ3 4.23Å; Y233-W268 HydrophobicContact CG-CB 4.09Å; Y233-W268 HydrophobicContact CG-CG 4.24Å; F238-W268 HydrophobicContact CD2-CB 4.25Å; F238-W268 HydrophobicContact CE2-CB 4.19Å; A264-W268 VanDerWaalsContact O-CB 3.28Å; A264-W268 WeakPolarHBondContact O-CB 3.47Å; A264-W268 PolarHBondContact O-N 3.44Å; K266-W268 VanDerWaalsContact C-N 3.33Å; K266-W268 PolarHBondContact O-N 3.28Å; W268-V272 HydrophobicContact CD2-CG2 4.3Å; W268-V272 HydrophobicContact CZ2-CG2 4.03Å; W268-V272 VanDerWaalsContact O-CG2 3.29Å; W268-V272 WeakPolarHBondContact O-CG2 3.4Å; W268-V272 PolarHBondContact O-N 3.41Å; W268-S296 VanDerWaalsContact CH2-OG 3.25Å; W268-S296 WeakPolarHBondContact CH2-OG 3.38Å; W268-S296 WeakPolarHBondContact CZ3-OG 3.27Å; W268-F298 HydrophobicContact CH2-CB 3.84Å; W268-F298 HydrophobicContact CH2-CD1 4.03Å; W268-F298 HydrophobicContact CH2-CG 4.42Å; W268-F298 HydrophobicContact CZ3-CB 3.76Å; W268-F298 AromaticContact CZ3-CD1 3.82Å; W268-F298 HydrophobicContact CZ3-CD1 3.82Å; W268-F298 HydrophobicContact CZ3-CG 4.16Å |
| 269 | K | 94.1 | Very high | 94.6 | Very high | 52 Ų | 52 | 45.4 Ų | 45.4 | 23% | 0.226 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62 | -50.3 | 174.9 | -76.8 | -175.7 | 169.5 | -162.1 | 0 | 111.5 | K265 K266 L267 C271 V272 E273 F298 | K265-K269 WeakPolarHBondContact O-CG 3.48Å; K265-K269 PolarHBondContact O-N 3.33Å; K266-K269 WeakPolarHBondContact O-CB 3.48Å; K266-K269 PolarHBondContact O-N 3.16Å; K266-K269 VanDerWaalsContact O-N 3.15Å; L267-K269 VanDerWaalsContact C-N 3.3Å; L267-K269 PolarHBondContact O-N 2.99Å; K269-C271 VanDerWaalsContact C-N 3.28Å; K269-C271 PolarHBondContact O-N 3.17Å; K269-V272 PolarHBondContact O-N 2.94Å; K269-V272 VanDerWaalsContact O-N 3.15Å; K269-E273 VanDerWaalsContact O-CG 3.29Å; K269-E273 WeakPolarHBondContact O-CG 3.4Å; K269-E273 PolarHBondContact O-N 3.06Å; K269-F298 HydrophobicContact CB-CD1 4.42Å; K269-F298 HydrophobicContact CB-CE1 4.06Å; K269-F298 HydrophobicContact CB-CZ 4.46Å; K269-F298 HydrophobicContact CD-CD1 4.49Å; K269-F298 HydrophobicContact CD-CD2 4.41Å; K269-F298 HydrophobicContact CD-CE1 4.48Å; K269-F298 HydrophobicContact CD-CE2 4.4Å; K269-F298 HydrophobicContact CD-CG 4.45Å; K269-F298 HydrophobicContact CD-CZ 4.43Å; K269-F298 HydrophobicContact CG-CD1 3.8Å; K269-F298 HydrophobicContact CG-CE1 3.89Å; K269-F298 HydrophobicContact CG-CG 4.15Å; K269-F298 HydrophobicContact CG-CZ 4.31Å |
| 270 | V | 95.4 | Very high | 94.2 | Very high | 4 Ų | 4 | 43 Ų | 43 | 2% | 0.024 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -56.1 | -45.1 | -180 | 174.1 | 0 | 0 | 0 | 0 | 110.5 | D190 V206 K266 L267 E273 H274 | D190-V270 HydrophobicContact CB-CG1 4.35Å; V206-V270 HydrophobicContact CB-CG1 3.95Å; V206-V270 HydrophobicContact CG1-CG1 3.95Å; V206-V270 HydrophobicContact CG2-CG1 4.19Å; K266-V270 WeakPolarHBondContact O-CG2 3.3Å; K266-V270 PolarHBondContact O-N 2.59Å; L267-V270 PolarHBondContact O-N 3.38Å; L267-V270 VanDerWaalsContact O-N 3.1Å; V270-E273 PolarHBondContact O-N 2.86Å; V270-H274 WeakPolarHBondContact O-CB 3.44Å; V270-H274 PolarHBondContact O-N 3.41Å; V270-H274 PolarHBondContact O-ND1 3.38Å |
| 271 | C | 96.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.9 | -43.9 | 177.1 | -56 | 0 | 0 | 0 | 0 | 112.9 | L211 W225 I231 L267 K269 E273 H275 | L211-C271 HydrophobicContact CD1-CB 4.36Å; W225-C271 HydrophobicContact CH2-CB 4.25Å; I231-C271 HydrophobicContact CD1-CB 3.69Å; I231-C271 HydrophobicContact CG2-CB 4.11Å; L267-C271 VanDerWaalsContact CD1-SG 3.54Å; L267-C271 PolarHBondContact O-N 2.81Å; L267-C271 PolarHBondContact O-SG 2.94Å; K269-C271 VanDerWaalsContact C-N 3.28Å; K269-C271 PolarHBondContact O-N 3.17Å; C271-E273 VanDerWaalsContact C-N 3.34Å; C271-H275 WeakPolarHBondContact O-CB 3.07Å; C271-H275 PolarHBondContact O-N 2.99Å |
| 272 | V | 93.3 | Very high | 93.2 | Very high | 26 Ų | 26 | 43.3 Ų | 43.3 | 16% | 0.158 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.6 | -45 | 177.2 | 166.9 | 0 | 0 | 0 | 0 | 110.4 | W268 K269 T276 F298 | W268-V272 HydrophobicContact CD2-CG2 4.3Å; W268-V272 HydrophobicContact CZ2-CG2 4.03Å; W268-V272 VanDerWaalsContact O-CG2 3.29Å; W268-V272 WeakPolarHBondContact O-CG2 3.4Å; W268-V272 PolarHBondContact O-N 3.41Å; K269-V272 PolarHBondContact O-N 2.94Å; K269-V272 VanDerWaalsContact O-N 3.15Å; V272-T276 WeakPolarHBondContact O-CB 3.35Å; V272-T276 PolarHBondContact O-N 3.31Å; V272-T276 PolarHBondContact O-OG1 3.45Å; V272-T276 VanDerWaalsContact O-OG1 3.07Å; V272-F298 HydrophobicContact CG1-CE1 4.36Å |
| 273 | E | 94.5 | Very high | 92.6 | Very high | 17 Ų | 17 | 35.1 Ų | 35.1 | 8% | 0.079 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.6 | -48.2 | 178.5 | -67 | -176 | 132.3 | 0 | 0 | 111.9 | K78 F79 K269 V270 C271 T276 F277 F298 Y300 | K78-E273 VanDerWaalsContact CE-OE2 3.24Å; K78-E273 WeakPolarHBondContact CE-OE2 3.06Å; K78-E273 IonicContact NZ-OE1 2.82Å; K78-E273 PolarHBondContact NZ-OE1 2.99Å; K78-E273 IonicContact NZ-OE2 2.72Å; K78-E273 PolarHBondContact NZ-OE2 3.1Å; K78-E273 VanDerWaalsContact NZ-OE2 3.14Å; F79-E273 HydrophobicContact CE1-CB 4.13Å; F79-E273 HydrophobicContact CZ-CB 4.05Å; K269-E273 VanDerWaalsContact O-CG 3.29Å; K269-E273 WeakPolarHBondContact O-CG 3.4Å; K269-E273 PolarHBondContact O-N 3.06Å; V270-E273 PolarHBondContact O-N 2.86Å; C271-E273 VanDerWaalsContact C-N 3.34Å; E273-T276 PolarHBondContact O-N 2.99Å; E273-F277 VanDerWaalsContact O-CB 3.24Å; E273-F277 WeakPolarHBondContact O-CB 3.19Å; E273-F277 PolarHBondContact O-N 3.1Å; E273-F298 HydrophobicContact CG-CE1 3.89Å; E273-F298 HydrophobicContact CG-CZ 3.76Å; E273-F298 WeakPolarHBondContact OE1-CZ 3.45Å; E273-Y300 HydrophobicContact CB-CD2 4.1Å; E273-Y300 HydrophobicContact CG-CD2 3.89Å |
| 274 | H | 96.2 | Very high | 91.1 | Very high | 7 Ų | 7 | 40.3 Ų | 40.3 | 3% | 0.032 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.9 | -44.2 | 179.9 | -78.6 | 68.7 | 0 | 0 | 0 | 112.3 | F79 V206 W225 V270 F277 F278 | F79-H274 AromaticContact CE1-ND1 3.96Å; V206-H274 HydrophobicContact CG1-CB 3.97Å; W225-H274 HydrophobicContact CH2-CB 4.48Å; W225-H274 HydrophobicContact CZ2-CB 3.76Å; V270-H274 WeakPolarHBondContact O-CB 3.44Å; V270-H274 PolarHBondContact O-N 3.41Å; V270-H274 PolarHBondContact O-ND1 3.38Å; H274-F277 PolarHBondContact O-N 3.37Å; H274-F278 HydrophobicContact CB-CD2 4.42Å; H274-F278 AromaticContact CD2-CE2 3.84Å; H274-F278 WeakPolarHBondContact O-CB 3.35Å; H274-F278 WeakPolarHBondContact O-CD2 3.41Å; H274-F278 PolarHBondContact O-N 3.48Å |
| 275 | H | 93.6 | Very high | 89.1 | Confident | 41 Ų | 41 | 46.4 Ų | 46.4 | 19% | 0.19 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.8 | -51.2 | 175.1 | 177.4 | -82.4 | 0 | 0 | 0 | 110.2 | W225 C271 F277 R279 | W225-H275 HydrophobicContact CD2-CB 4.31Å; W225-H275 HydrophobicContact CE3-CB 4.15Å; W225-H275 HydrophobicContact CZ3-CB 4.37Å; C271-H275 WeakPolarHBondContact O-CB 3.07Å; C271-H275 PolarHBondContact O-N 2.99Å; H275-F277 PolarHBondContact O-N 3.28Å; H275-R279 WeakPolarHBondContact O-CA 3.26Å; H275-R279 WeakPolarHBondContact O-CB 3.41Å; H275-R279 PolarHBondContact O-N 3.46Å |
| 276 | T | 92.6 | Very high | 87.2 | Confident | 20 Ų | 20 | 50.5 Ų | 50.5 | 12% | 0.123 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61 | -45.2 | 179.2 | -64.9 | 0 | 0 | 0 | 0 | 112 | V272 E273 L280 T283 Y300 T304 | V272-T276 WeakPolarHBondContact O-CB 3.35Å; V272-T276 PolarHBondContact O-N 3.31Å; V272-T276 PolarHBondContact O-OG1 3.45Å; V272-T276 VanDerWaalsContact O-OG1 3.07Å; E273-T276 PolarHBondContact O-N 2.99Å; T276-L280 HydrophobicContact CG2-CD1 4.13Å; T276-L280 WeakPolarHBondContact O-CB 3.32Å; T276-L280 PolarHBondContact O-N 2.9Å; T276-T283 HydrophobicContact CG2-CG2 4.08Å; T276-Y300 HydrophobicContact CG2-CD1 3.47Å; T276-Y300 VanDerWaalsContact CG2-CD1 3.47Å; T276-Y300 HydrophobicContact CG2-CE1 4.33Å; T276-Y300 HydrophobicContact CG2-CG 4.12Å; T276-T304 HydrophobicContact CG2-CG2 4.4Å; T276-T304 WeakPolarHBondContact O-CG2 3.49Å |
| 277 | F | 95.4 | Very high | 85 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.7 | -50.6 | -177.4 | -175.3 | -101.2 | 0 | 0 | 0 | 112.5 | D40 Y41 F79 E273 H274 H275 Y300 R303 Q305 | D40-F277 HydrophobicContact CB-CE2 3.92Å; Y41-F277 HydrophobicContact CD1-CE1 4.03Å; Y41-F277 AromaticContact CD1-CZ 3.82Å; Y41-F277 HydrophobicContact CD1-CZ 3.82Å; Y41-F277 AromaticContact CE1-CE1 3.85Å; Y41-F277 HydrophobicContact CE1-CE1 3.85Å; Y41-F277 AromaticContact CE1-CZ 3.71Å; Y41-F277 HydrophobicContact CE1-CZ 3.71Å; F79-F277 HydrophobicContact CB-CD1 3.67Å; F79-F277 HydrophobicContact CB-CE1 3.47Å; F79-F277 VanDerWaalsContact CB-CE1 3.47Å; F79-F277 HydrophobicContact CB-CG 4.41Å; F79-F277 HydrophobicContact CB-CZ 4.08Å; F79-F277 HydrophobicContact CD1-CB 4.02Å; F79-F277 AromaticContact CD1-CD1 3.79Å; F79-F277 HydrophobicContact CD1-CD1 3.79Å; F79-F277 HydrophobicContact CD1-CE1 4.46Å; F79-F277 AromaticContact CD1-CG 3.93Å; F79-F277 HydrophobicContact CD1-CG 3.93Å; F79-F277 HydrophobicContact CD2-CD1 4.1Å; F79-F277 HydrophobicContact CD2-CD2 4.02Å; F79-F277 HydrophobicContact CD2-CE1 4.21Å; F79-F277 HydrophobicContact CD2-CE2 4.15Å; F79-F277 AromaticContact CD2-CG 3.99Å; F79-F277 HydrophobicContact CD2-CG 3.99Å; F79-F277 HydrophobicContact CD2-CZ 4.23Å; F79-F277 HydrophobicContact CE1-CB 3.8Å; F79-F277 HydrophobicContact CE1-CD1 4.42Å; F79-F277 HydrophobicContact CE1-CG 4.11Å; F79-F277 HydrophobicContact CE2-CB 4.45Å; F79-F277 HydrophobicContact CE2-CD2 4.09Å; F79-F277 HydrophobicContact CE2-CG 4.16Å; F79-F277 HydrophobicContact CG-CB 4.43Å; F79-F277 AromaticContact CG-CD1 3.58Å; F79-F277 HydrophobicContact CG-CD1 3.58Å; F79-F277 HydrophobicContact CG-CD2 4.33Å; F79-F277 AromaticContact CG-CE1 3.82Å; F79-F277 HydrophobicContact CG-CE1 3.82Å; F79-F277 AromaticContact CG-CG 3.85Å; F79-F277 HydrophobicContact CG-CG 3.85Å; F79-F277 HydrophobicContact CG-CZ 4.3Å; F79-F277 HydrophobicContact CZ-CB 4.02Å; F79-F277 HydrophobicContact CZ-CD2 4.47Å; F79-F277 HydrophobicContact CZ-CG 4.21Å; E273-F277 VanDerWaalsContact O-CB 3.24Å; E273-F277 WeakPolarHBondContact O-CB 3.19Å; E273-F277 PolarHBondContact O-N 3.1Å; H274-F277 PolarHBondContact O-N 3.37Å; H275-F277 PolarHBondContact O-N 3.28Å; F277-Y300 HydrophobicContact CD2-CE1 4.42Å; F277-Y300 WeakPolarHBondContact CD2-OH 3.37Å; F277-R303 VanDerWaalsContact CD2-O 3.26Å; F277-R303 WeakPolarHBondContact CD2-O 3.34Å; F277-R303 WeakPolarHBondContact CE2-O 3.5Å; F277-Q305 HydrophobicContact CD1-CB 4.16Å; F277-Q305 HydrophobicContact CE1-CB 3.86Å; F277-Q305 HydrophobicContact CE1-CG 4.31Å; F277-Q305 HydrophobicContact CE2-CB 4.48Å; F277-Q305 HydrophobicContact CZ-CB 4.04Å; F277-Q305 VanDerWaalsContact O-CB 3.26Å; F277-Q305 WeakPolarHBondContact O-CB 3.38Å; F277-Q305 PolarHBondContact O-N 3.4Å |
| 278 | F | 94.8 | Very high | 82.7 | Confident | 29 Ų | 29 | 63.4 Ų | 63.4 | 13% | 0.127 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -89.6 | -26.7 | -172.9 | -68.9 | -68.9 | 0 | 0 | 0 | 114.5 | F79 Y80 S208 H274 | F79-F278 HydrophobicContact CB-CE2 4.06Å; F79-F278 HydrophobicContact CB-CZ 3.73Å; F79-F278 AromaticContact CD1-CE2 3.89Å; F79-F278 HydrophobicContact CD1-CE2 3.89Å; F79-F278 HydrophobicContact CD1-CZ 4.43Å; F79-F278 HydrophobicContact CG-CE2 4.41Å; Y80-F278 VanDerWaalsContact O-CZ 3.24Å; Y80-F278 WeakPolarHBondContact O-CZ 3.26Å; S208-F278 VanDerWaalsContact CA-CD2 3.49Å; H274-F278 HydrophobicContact CB-CD2 4.42Å; H274-F278 AromaticContact CD2-CE2 3.84Å; H274-F278 WeakPolarHBondContact O-CB 3.35Å; H274-F278 WeakPolarHBondContact O-CD2 3.41Å; H274-F278 PolarHBondContact O-N 3.48Å |
| 279 | R | 91.4 | Very high | 80.6 | Confident | 121 Ų | 121 | 67.5 Ų | 67.5 | 46% | 0.457 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -98.3 | -37.1 | -173.4 | 179.4 | 59.1 | -171.7 | 118.8 | -7.8 | 114 | W225 H275 | W225-R279 HydrophobicContact CB-CB 4.24Å; W225-R279 HydrophobicContact CB-CG 4.47Å; H275-R279 WeakPolarHBondContact O-CA 3.26Å; H275-R279 WeakPolarHBondContact O-CB 3.41Å; H275-R279 PolarHBondContact O-N 3.46Å |
| 280 | L | 87.9 | Confident | 78.5 | Confident | 49 Ų | 49 | 73.9 Ų | 73.9 | 26% | 0.257 | 39% | 0.392 | S | S | . | . | trans | -89.6 | 145.4 | -172.5 | -55.8 | -173 | 0 | 0 | 0 | 111.2 | T276 S282 T304 | T276-L280 HydrophobicContact CG2-CD1 4.13Å; T276-L280 WeakPolarHBondContact O-CB 3.32Å; T276-L280 PolarHBondContact O-N 2.9Å; L280-S282 WeakPolarHBondContact CB-O 3.41Å; L280-T304 HydrophobicContact CB-CG2 4.33Å; L280-T304 VanDerWaalsContact O-CB 3.22Å; L280-T304 WeakPolarHBondContact O-CB 3.23Å; L280-T304 WeakPolarHBondContact O-CG2 3.35Å; L280-T304 PolarHBondContact O-OG1 3.34Å | ||
| 281 | T | 86.1 | Confident | 76.2 | Confident | 111 Ų | 111 | 82.8 Ų | 82.8 | 68% | 0.681 | 43% | 0.431 | S | S | * | . | S | Bend | trans | -77.5 | -25.3 | 175.7 | 51.9 | 0 | 0 | 0 | 0 | 112.2 | T304 | T281-T304 PolarHBondContact O-OG1 2.85Š|
| 282 | S | 82.8 | Confident | 74.2 | Confident | 58 Ų | 58 | 90.5 Ų | 90.5 | 41% | 0.406 | 47% | 0.471 | S | S | . | . | S | Bend | trans | -148.2 | 161 | 174.3 | 60.4 | 0 | 0 | 0 | 0 | 110.4 | L280 T304 | L280-S282 WeakPolarHBondContact CB-O 3.41Å; S282-T304 VanDerWaalsContact C-CG2 3.41Å |
| 283 | T | 79.2 | Confident | 72.1 | Confident | 39 Ų | 39 | 92.7 Ų | 92.7 | 24% | 0.239 | 49% | 0.492 | C | S | . | . | P | Polyproline II helix | trans | -73.7 | 133.3 | 169.1 | 55.1 | 0 | 0 | 0 | 0 | 110.1 | T276 T285 Y300 G302 T304 | T276-T283 HydrophobicContact CG2-CG2 4.08Å; T283-T285 PolarHBondContact O-N 3.29Å; T283-T285 VanDerWaalsContact O-N 3.14Å; T283-Y300 HydrophobicContact CG2-CD1 3.93Å; T283-Y300 HydrophobicContact CG2-CE1 4.29Å; T283-G302 WeakPolarHBondContact CG2-O 3.43Å; T283-T304 HydrophobicContact CG2-CG2 4.14Å |
| 284 | D | 63.9 | Low | 69.9 | Low | 134 Ų | 134 | 100.8 Ų | 100.8 | 72% | 0.717 | 54% | 0.535 | S | S | * | . | P | Polyproline II helix | trans | -49.1 | 122.5 | 175.7 | -73 | -25.7 | 0 | 0 | 0 | 111 | I286 | D284-I286 PolarHBondContact O-N 2.9Š|
| 285 | T | 53.3 | Low | 68.1 | Low | 128 Ų | 128 | 103.2 Ų | 103.2 | 79% | 0.785 | 56% | 0.562 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 130.5 | 169.8 | 55.1 | 0 | 0 | 0 | 0 | 108 | T283 P287 | T283-T285 PolarHBondContact O-N 3.29Å; T283-T285 VanDerWaalsContact O-N 3.14Å; T285-P287 WeakPolarHBondContact O-CD 3.44Å |
| 286 | I | 54.2 | Low | 66.6 | Low | 154 Ų | 154 | 103 Ų | 103 | 79% | 0.79 | 57% | 0.565 | S | S | * | * | trans | -52.2 | 113 | -179.8 | -59.8 | 167.7 | 0 | 0 | 0 | 107.6 | D284 K288 | D284-I286 PolarHBondContact O-N 2.9Å; I286-K288 PolarHBondContact O-N 2.9Å | ||
| 287 | P | 48.9 | Very low | 65.6 | Low | 105 Ų | 105 | 110.1 Ų | 110.1 | 68% | 0.682 | 59% | 0.594 | S | S | * | * | trans | -60.4 | 121.7 | 170.3 | -17.7 | 30.8 | 0 | 0 | 0 | 106.1 | T285 S289 | T285-P287 WeakPolarHBondContact O-CD 3.44Å; P287-S289 PolarHBondContact O-N 3.5Å | ||
| 288 | K | 46.8 | Very low | 64.9 | Low | 218 Ų | 218 | 111 Ų | 111 | 95% | 0.948 | 60% | 0.598 | S | S | * | * | trans | -64.1 | 81.1 | 171.8 | -68.2 | -178.8 | -178.2 | 175.9 | 0 | 107.6 | I286 | I286-K288 PolarHBondContact O-N 2.9Š| ||
| 289 | S | 51.1 | Low | 64.2 | Low | 105 Ų | 105 | 117.5 Ų | 117.5 | 73% | 0.734 | 62% | 0.622 | S | S | * | * | trans | -125 | 143.2 | -178 | -167.2 | 0 | 0 | 0 | 0 | 113.4 | P287 | P287-S289 PolarHBondContact O-N 3.5Š| ||
| 290 | K | 50.6 | Low | 63.9 | Low | 185 Ų | 185 | 113 Ų | 113 | 80% | 0.804 | 61% | 0.605 | S | S | * | * | trans | -81.7 | 145.4 | -164.9 | -60.9 | 172.9 | 175.4 | 176.1 | 0 | 110.5 | ||||
| 291 | F | 47.5 | Very low | 63.6 | Low | 192 Ų | 192 | 114.3 Ų | 114.3 | 84% | 0.842 | 62% | 0.618 | S | S | * | * | S | Bend | trans | 64.2 | 132.5 | 166.2 | -76.1 | -87.1 | 0 | 0 | 0 | 119.8 | A293 | F291-A293 PolarHBondContact O-N 3.44Š|
| 292 | L | 54.2 | Low | 63.7 | Low | 161 Ų | 161 | 109.9 Ų | 109.9 | 84% | 0.843 | 60% | 0.595 | S | S | * | * | trans | 5 | 83.2 | 165.4 | -59.7 | 169.8 | 0 | 0 | 0 | 117.8 | L294 | L292-L294 PolarHBondContact O-N 2.9Š| ||
| 293 | A | 49.4 | Very low | 64.2 | Low | 72 Ų | 72 | 110.9 Ų | 110.9 | 60% | 0.595 | 59% | 0.59 | S | S | * | * | trans | -73.8 | 111.3 | 164.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | F291 G295 | F291-A293 PolarHBondContact O-N 3.44Å; A293-G295 PolarHBondContact O-N 3.25Å | ||
| 294 | L | 48.9 | Very low | 65 | Low | 187 Ų | 187 | 109 Ų | 109 | 98% | 0.979 | 58% | 0.578 | S | S | * | * | trans | -77.5 | 96.9 | 171 | -138.5 | 89.9 | 0 | 0 | 0 | 108.9 | L292 | L292-L294 PolarHBondContact O-N 2.9Š| ||
| 295 | G | 56.8 | Low | 66.4 | Low | 58 Ų | 58 | 103.3 Ų | 103.3 | 60% | 0.598 | 55% | 0.547 | S | S | * | . | S | Bend | trans | 163.8 | 173.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | A293 K297 | A293-G295 PolarHBondContact O-N 3.25Å; G295-K297 PolarHBondContact O-N 3.4Å; G295-K297 VanDerWaalsContact O-N 3.13Å |
| 296 | S | 63.6 | Low | 68.4 | Low | 37 Ų | 37 | 98.9 Ų | 98.9 | 26% | 0.259 | 52% | 0.524 | S | S | . | . | trans | -65.1 | 112.6 | 173.9 | -175.7 | 0 | 0 | 0 | 0 | 110.1 | W268 F298 | W268-S296 VanDerWaalsContact CH2-OG 3.25Å; W268-S296 WeakPolarHBondContact CH2-OG 3.38Å; W268-S296 WeakPolarHBondContact CZ3-OG 3.27Å; S296-F298 PolarHBondContact O-N 3.25Å | ||
| 297 | K | 70.6 | Confident | 70.3 | Confident | 169 Ų | 169 | 94.2 Ų | 94.2 | 74% | 0.735 | 50% | 0.499 | S | S | * | . | trans | -75.4 | 3.8 | 175.1 | -60.9 | -175.1 | -179.3 | -178.8 | 0 | 113.8 | G295 R299 | G295-K297 PolarHBondContact O-N 3.4Å; G295-K297 VanDerWaalsContact O-N 3.13Å; K297-R299 PolarHBondContact O-N 3.49Å | ||
| 298 | F | 80.9 | Confident | 72.5 | Confident | 20 Ų | 20 | 89.2 Ų | 89.2 | 9% | 0.088 | 47% | 0.466 | C | S | . | . | trans | -62.9 | 135.4 | -179.1 | 175.7 | -94.6 | 0 | 0 | 0 | 110.4 | W268 K269 V272 E273 S296 | W268-F298 HydrophobicContact CH2-CB 3.84Å; W268-F298 HydrophobicContact CH2-CD1 4.03Å; W268-F298 HydrophobicContact CH2-CG 4.42Å; W268-F298 HydrophobicContact CZ3-CB 3.76Å; W268-F298 AromaticContact CZ3-CD1 3.82Å; W268-F298 HydrophobicContact CZ3-CD1 3.82Å; W268-F298 HydrophobicContact CZ3-CG 4.16Å; K269-F298 HydrophobicContact CB-CD1 4.42Å; K269-F298 HydrophobicContact CB-CE1 4.06Å; K269-F298 HydrophobicContact CB-CZ 4.46Å; K269-F298 HydrophobicContact CD-CD1 4.49Å; K269-F298 HydrophobicContact CD-CD2 4.41Å; K269-F298 HydrophobicContact CD-CE1 4.48Å; K269-F298 HydrophobicContact CD-CE2 4.4Å; K269-F298 HydrophobicContact CD-CG 4.45Å; K269-F298 HydrophobicContact CD-CZ 4.43Å; K269-F298 HydrophobicContact CG-CD1 3.8Å; K269-F298 HydrophobicContact CG-CE1 3.89Å; K269-F298 HydrophobicContact CG-CG 4.15Å; K269-F298 HydrophobicContact CG-CZ 4.31Å; V272-F298 HydrophobicContact CG1-CE1 4.36Å; E273-F298 HydrophobicContact CG-CE1 3.89Å; E273-F298 HydrophobicContact CG-CZ 3.76Å; E273-F298 WeakPolarHBondContact OE1-CZ 3.45Å; S296-F298 PolarHBondContact O-N 3.25Å | ||
| 299 | R | 79.8 | Confident | 74.7 | Confident | 164 Ų | 164 | 83.1 Ų | 83.1 | 62% | 0.619 | 44% | 0.437 | S | S | * | . | trans | -140.1 | 144.5 | 175.2 | -64.8 | -65 | -178.3 | -98.9 | 5 | 106.9 | K297 | K297-R299 PolarHBondContact O-N 3.49Š| ||
| 300 | Y | 85.9 | Confident | 76.8 | Confident | 27 Ų | 27 | 84.5 Ų | 84.5 | 11% | 0.106 | 43% | 0.432 | C | S | . | . | trans | -66.1 | 139.7 | 166.6 | -179.6 | -105.9 | 0 | 0 | 0 | 108.8 | F79 E273 T276 F277 T283 G302 R303 | F79-Y300 AromaticContact CE2-CE2 3.96Å; F79-Y300 HydrophobicContact CE2-CE2 3.96Å; F79-Y300 HydrophobicContact CZ-CD2 4.46Å; F79-Y300 AromaticContact CZ-CE2 3.74Å; F79-Y300 HydrophobicContact CZ-CE2 3.74Å; E273-Y300 HydrophobicContact CB-CD2 4.1Å; E273-Y300 HydrophobicContact CG-CD2 3.89Å; T276-Y300 HydrophobicContact CG2-CD1 3.47Å; T276-Y300 VanDerWaalsContact CG2-CD1 3.47Å; T276-Y300 HydrophobicContact CG2-CE1 4.33Å; T276-Y300 HydrophobicContact CG2-CG 4.12Å; F277-Y300 HydrophobicContact CD2-CE1 4.42Å; F277-Y300 WeakPolarHBondContact CD2-OH 3.37Å; T283-Y300 HydrophobicContact CG2-CD1 3.93Å; T283-Y300 HydrophobicContact CG2-CE1 4.29Å; Y300-G302 VanDerWaalsContact CE1-C 3.48Å; Y300-G302 WeakPolarHBondContact CE1-O 3.3Å; Y300-R303 WeakPolarHBondContact CE1-O 3.45Å; Y300-R303 PolarHBondContact OH-O 3.48Å | ||
| 301 | S | 82.1 | Confident | 78.8 | Confident | 76 Ų | 76 | 77.1 Ų | 77.1 | 53% | 0.531 | 41% | 0.405 | S | S | . | . | trans | -131.6 | 3.1 | -171.1 | 53.1 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 302 | G | 87.8 | Confident | 81 | Confident | 19 Ų | 19 | 68.1 Ų | 68.1 | 20% | 0.196 | 37% | 0.366 | C | S | . | . | S | Bend | trans | -86.6 | -178.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | T283 Y300 | T283-G302 WeakPolarHBondContact CG2-O 3.43Å; Y300-G302 VanDerWaalsContact CE1-C 3.48Å; Y300-G302 WeakPolarHBondContact CE1-O 3.3Å |
| 303 | R | 92.9 | Very high | 82.9 | Confident | 78 Ų | 78 | 64.5 Ų | 64.5 | 29% | 0.294 | 36% | 0.359 | S | S | . | . | trans | -71.7 | 148 | 174.1 | -65.9 | -176.2 | -69.8 | -165.4 | -1.3 | 110.3 | D40 F277 Y300 Q307 | D40-R303 WeakPolarHBondContact OD1-CB 3.21Å; D40-R303 PolarHBondContact OD1-N 2.8Å; D40-R303 IonicContact OD1-NE 2.73Å; D40-R303 IonicContact OD2-CZ 2.93Å; D40-R303 IonicContact OD2-NE 3.6Å; D40-R303 PolarHBondContact OD2-NE 2.87Å; D40-R303 IonicContact OD2-NH2 2.6Å; D40-R303 PolarHBondContact OD2-NH2 2.86Å; F277-R303 VanDerWaalsContact CD2-O 3.26Å; F277-R303 WeakPolarHBondContact CD2-O 3.34Å; F277-R303 WeakPolarHBondContact CE2-O 3.5Å; Y300-R303 WeakPolarHBondContact CE1-O 3.45Å; Y300-R303 PolarHBondContact OH-O 3.48Å; R303-Q307 HydrophobicContact CB-CB 3.88Å; R303-Q307 HydrophobicContact CG-CB 4.32Å | ||
| 304 | T | 95.1 | Very high | 85 | Confident | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 37% | 0.367 | C | S | . | . | trans | -70.2 | 167.2 | 166.3 | 65.1 | 0 | 0 | 0 | 0 | 110.4 | T276 L280 T281 S282 T283 A306 Q307 T308 | T276-T304 HydrophobicContact CG2-CG2 4.4Å; T276-T304 WeakPolarHBondContact O-CG2 3.49Å; L280-T304 HydrophobicContact CB-CG2 4.33Å; L280-T304 VanDerWaalsContact O-CB 3.22Å; L280-T304 WeakPolarHBondContact O-CB 3.23Å; L280-T304 WeakPolarHBondContact O-CG2 3.35Å; L280-T304 PolarHBondContact O-OG1 3.34Å; T281-T304 PolarHBondContact O-OG1 2.85Å; S282-T304 VanDerWaalsContact C-CG2 3.41Å; T283-T304 HydrophobicContact CG2-CG2 4.14Å; T304-A306 PolarHBondContact O-N 3.36Å; T304-Q307 PolarHBondContact O-N 3.05Å; T304-Q307 WeakPolarHBondContact OG1-CG 3.47Å; T304-Q307 PolarHBondContact OG1-N 2.91Å; T304-Q307 PolarHBondContact OG1-OE1 3.1Å; T304-T308 WeakPolarHBondContact O-CB 3.28Å; T304-T308 PolarHBondContact O-N 2.92Å; T304-T308 PolarHBondContact O-OG1 2.82Å | ||
| 305 | Q | 95 | Very high | 87 | Confident | 14 Ų | 14 | 61 Ų | 61 | 7% | 0.065 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -59 | -38.5 | 173.5 | -174.6 | 176.3 | 47.7 | 0 | 0 | 111.5 | F277 T308 R309 | F277-Q305 HydrophobicContact CD1-CB 4.16Å; F277-Q305 HydrophobicContact CE1-CB 3.86Å; F277-Q305 HydrophobicContact CE1-CG 4.31Å; F277-Q305 HydrophobicContact CE2-CB 4.48Å; F277-Q305 HydrophobicContact CZ-CB 4.04Å; F277-Q305 VanDerWaalsContact O-CB 3.26Å; F277-Q305 WeakPolarHBondContact O-CB 3.38Å; F277-Q305 PolarHBondContact O-N 3.4Å; Q305-T308 PolarHBondContact O-N 3.48Å; Q305-R309 VanDerWaalsContact CD-NH2 3.31Å; Q305-R309 WeakPolarHBondContact O-CG 3.24Å; Q305-R309 PolarHBondContact O-N 3.27Å |
| 306 | A | 93.6 | Very high | 88.6 | Confident | 35 Ų | 35 | 66.1 Ų | 66.1 | 29% | 0.289 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -60.5 | -47.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | T304 R309 Q310 | T304-A306 PolarHBondContact O-N 3.36Å; A306-R309 PolarHBondContact O-N 2.92Å; A306-Q310 WeakPolarHBondContact O-CG 3.5Å; A306-Q310 PolarHBondContact O-N 3.47Å |
| 307 | Q | 94.8 | Very high | 90 | Very high | 56 Ų | 56 | 67.7 Ų | 67.7 | 26% | 0.262 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -66.5 | -37 | 175.6 | -70.5 | 174.3 | -48.8 | 0 | 0 | 112.4 | R303 T304 Q310 A311 | R303-Q307 HydrophobicContact CB-CB 3.88Å; R303-Q307 HydrophobicContact CG-CB 4.32Å; T304-Q307 PolarHBondContact O-N 3.05Å; T304-Q307 WeakPolarHBondContact OG1-CG 3.47Å; T304-Q307 PolarHBondContact OG1-N 2.91Å; T304-Q307 PolarHBondContact OG1-OE1 3.1Å; Q307-Q310 PolarHBondContact O-N 3.31Å; Q307-A311 WeakPolarHBondContact O-CB 3.48Å; Q307-A311 PolarHBondContact O-N 3.31Å |
| 308 | T | 94.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.9 | -47.4 | 176.9 | -55.7 | 0 | 0 | 0 | 0 | 110 | D40 Y41 T304 Q305 A311 S312 | D40-T308 HydrophobicContact CB-CG2 4.12Å; D40-T308 WeakPolarHBondContact CB-OG1 3.34Å; D40-T308 PolarHBondContact OD2-OG1 3.14Å; Y41-T308 HydrophobicContact CD2-CG2 4.43Å; Y41-T308 HydrophobicContact CE2-CG2 3.83Å; T304-T308 WeakPolarHBondContact O-CB 3.28Å; T304-T308 PolarHBondContact O-N 2.92Å; T304-T308 PolarHBondContact O-OG1 2.82Å; Q305-T308 PolarHBondContact O-N 3.48Å; T308-A311 PolarHBondContact O-N 3.42Å; T308-S312 WeakPolarHBondContact O-CB 3.34Å; T308-S312 PolarHBondContact O-N 3.37Å; T308-S312 PolarHBondContact O-OG 3.22Å |
| 309 | R | 94 | Very high | 90.8 | Very high | 91 Ų | 91 | 67.6 Ų | 67.6 | 34% | 0.343 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63 | -43.2 | 176.2 | -72.5 | -175.9 | -172.1 | 161.6 | 9.6 | 112.6 | Q305 A306 A311 S312 A313 | Q305-R309 VanDerWaalsContact CD-NH2 3.31Å; Q305-R309 WeakPolarHBondContact O-CG 3.24Å; Q305-R309 PolarHBondContact O-N 3.27Å; A306-R309 PolarHBondContact O-N 2.92Å; R309-A311 VanDerWaalsContact C-N 3.3Å; R309-A311 PolarHBondContact O-N 2.79Å; R309-S312 PolarHBondContact O-N 2.81Å; R309-A313 WeakPolarHBondContact O-CB 3.42Å; R309-A313 PolarHBondContact O-N 3.5Å |
| 310 | Q | 93.8 | Very high | 91 | Very high | 134 Ų | 134 | 60.5 Ų | 60.5 | 63% | 0.626 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -58.7 | -43.6 | 175.1 | -75 | 174.3 | -12.9 | 0 | 0 | 111.7 | A306 Q307 L314 | A306-Q310 WeakPolarHBondContact O-CG 3.5Å; A306-Q310 PolarHBondContact O-N 3.47Å; Q307-Q310 PolarHBondContact O-N 3.31Å; Q310-L314 WeakPolarHBondContact O-CG 2.85Å |
| 311 | A | 93.7 | Very high | 90.8 | Very high | 29 Ų | 29 | 68.1 Ų | 68.1 | 24% | 0.24 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -69.2 | -35.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q307 T308 R309 L314 | Q307-A311 WeakPolarHBondContact O-CB 3.48Å; Q307-A311 PolarHBondContact O-N 3.31Å; T308-A311 PolarHBondContact O-N 3.42Å; R309-A311 VanDerWaalsContact C-N 3.3Å; R309-A311 PolarHBondContact O-N 2.79Å; A311-L314 PolarHBondContact O-N 3.37Å |
| 312 | S | 94.1 | Very high | 90.9 | Very high | 4 Ų | 4 | 66.3 Ų | 66.3 | 3% | 0.028 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -70.2 | -34.8 | 179.5 | -50.1 | 0 | 0 | 0 | 0 | 111.7 | T88 T308 R309 L314 I315 | T88-S312 WeakPolarHBondContact OG1-CB 3.47Å; T308-S312 WeakPolarHBondContact O-CB 3.34Å; T308-S312 PolarHBondContact O-N 3.37Å; T308-S312 PolarHBondContact O-OG 3.22Å; R309-S312 PolarHBondContact O-N 2.81Å; S312-L314 PolarHBondContact O-N 3.37Å; S312-L314 VanDerWaalsContact O-N 3.17Å; S312-I315 VanDerWaalsContact O-CB 3.26Å; S312-I315 WeakPolarHBondContact O-CB 3.33Å; S312-I315 VanDerWaalsContact O-CG1 3.26Å; S312-I315 WeakPolarHBondContact O-CG1 3.35Å; S312-I315 PolarHBondContact O-N 2.98Å |
| 313 | A | 92.6 | Very high | 90.7 | Very high | 84 Ų | 84 | 74 Ų | 74 | 69% | 0.694 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -15.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | R309 | R309-A313 WeakPolarHBondContact O-CB 3.42Å; R309-A313 PolarHBondContact O-N 3.5Å |
| 314 | L | 93.4 | Very high | 90.4 | Very high | 144 Ų | 144 | 72.3 Ų | 72.3 | 75% | 0.754 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96 | 3.8 | 175.4 | -60.5 | 173.3 | 0 | 0 | 0 | 112.8 | Q310 A311 S312 D316 | Q310-L314 WeakPolarHBondContact O-CG 2.85Å; A311-L314 PolarHBondContact O-N 3.37Å; S312-L314 PolarHBondContact O-N 3.37Å; S312-L314 VanDerWaalsContact O-N 3.17Å; L314-D316 PolarHBondContact O-N 2.94Å; L314-D316 VanDerWaalsContact O-N 3.09Å |
| 315 | I | 92.4 | Very high | 89.3 | Confident | 41 Ų | 41 | 73.8 Ų | 73.8 | 21% | 0.21 | 40% | 0.397 | C | S | . | . | trans | -69.7 | 107 | 176.4 | -65.8 | 170.5 | 0 | 0 | 0 | 108.3 | L37 E38 E89 S312 R317 | L37-I315 HydrophobicContact CB-CD1 3.89Å; L37-I315 HydrophobicContact CB-CG1 4.48Å; L37-I315 HydrophobicContact CD1-CD1 4.05Å; L37-I315 HydrophobicContact CD1-CG1 3.97Å; L37-I315 HydrophobicContact CD1-CG2 3.78Å; E38-I315 HydrophobicContact CG-CD1 4.37Å; E89-I315 HydrophobicContact CG-CD1 4.13Å; S312-I315 VanDerWaalsContact O-CB 3.26Å; S312-I315 WeakPolarHBondContact O-CB 3.33Å; S312-I315 VanDerWaalsContact O-CG1 3.26Å; S312-I315 WeakPolarHBondContact O-CG1 3.35Å; S312-I315 PolarHBondContact O-N 2.98Å; I315-R317 HydrophobicContact CG2-CG 3.72Å | ||
| 316 | D | 90.7 | Very high | 87.7 | Confident | 166 Ų | 166 | 75.3 Ų | 75.3 | 89% | 0.888 | 41% | 0.412 | S | S | * | . | trans | -109.3 | 80.5 | 173.8 | -172.6 | 16.7 | 0 | 0 | 0 | 109.4 | L314 | L314-D316 PolarHBondContact O-N 2.94Å; L314-D316 VanDerWaalsContact O-N 3.09Å | ||
| 317 | R | 92.4 | Very high | 85.6 | Confident | 71 Ų | 71 | 75.4 Ų | 75.4 | 27% | 0.268 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -150.8 | 153.7 | 173.2 | 73 | 174.9 | -174.2 | 163.3 | -2.8 | 110.9 | N35 L37 E89 I315 | N35-R317 VanDerWaalsContact CG-NH1 3.27Å; N35-R317 PolarHBondContact ND2-NH1 3.35Å; N35-R317 PolarHBondContact O-NH2 3.02Å; N35-R317 PolarHBondContact OD1-NH1 3.44Å; L37-R317 VanDerWaalsContact CD1-NE 3.31Å; E89-R317 IonicContact OE1-CZ 3.05Å; E89-R317 IonicContact OE1-NE 3.63Å; E89-R317 PolarHBondContact OE1-NE 2.8Å; E89-R317 IonicContact OE1-NH2 2.73Å; E89-R317 PolarHBondContact OE1-NH2 3.06Å; E89-R317 IonicContact OE2-NH2 2.63Å; E89-R317 PolarHBondContact OE2-NH2 3.39Å; E89-R317 VanDerWaalsContact OE2-NH2 3.08Å; I315-R317 HydrophobicContact CG2-CG 3.72Å |
| 318 | P | 86.3 | Confident | 83.3 | Confident | 114 Ų | 114 | 78.2 Ų | 78.2 | 74% | 0.74 | 42% | 0.421 | S | S | * | . | P | Polyproline II helix | trans | -61 | 149.5 | 169.3 | 27.3 | -35.1 | 0 | 0 | 0 | 110.6 | P320 | P318-P320 VanDerWaalsContact O-N 3.16Š|
| 319 | A | 82.5 | Confident | 81.2 | Confident | 72 Ų | 72 | 87.4 Ų | 87.4 | 60% | 0.595 | 46% | 0.456 | S | S | * | . | P | Polyproline II helix | trans | -51.6 | 123.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | H321 | A319-H321 PolarHBondContact O-N 3.43Š|
| 320 | P | 83 | Confident | 78.5 | Confident | 15 Ų | 15 | 85.2 Ų | 85.2 | 10% | 0.097 | 46% | 0.457 | C | S | . | . | P | Polyproline II helix | trans | -64.4 | 132.1 | -175.7 | 26.6 | -34.5 | 0 | 0 | 0 | 109.4 | N35 I91 P318 F322 | N35-P320 VanDerWaalsContact ND2-CB 3.31Å; N35-P320 WeakPolarHBondContact ND2-CB 3.35Å; I91-P320 HydrophobicContact CB-CG 4.06Å; I91-P320 HydrophobicContact CG2-CG 3.62Å; P318-P320 VanDerWaalsContact O-N 3.16Å; P320-F322 WeakPolarHBondContact O-CD1 3.41Å |
| 321 | H | 80.8 | Confident | 75.8 | Confident | 187 Ų | 187 | 83.5 Ų | 83.5 | 87% | 0.866 | 46% | 0.46 | S | S | * | . | P | Polyproline II helix | trans | -76.8 | 129.1 | 167.7 | -168 | 66.3 | 0 | 0 | 0 | 108.7 | A319 | A319-H321 PolarHBondContact O-N 3.43Š|
| 322 | F | 85.8 | Confident | 73.4 | Confident | 38 Ų | 38 | 93.1 Ų | 93.1 | 17% | 0.167 | 49% | 0.491 | C | S | . | . | trans | -138.2 | 145.7 | 176.6 | 58.6 | -89.6 | 0 | 0 | 0 | 109.8 | D90 I91 Y94 P320 R324 | D90-F322 HydrophobicContact CB-CE1 4.33Å; I91-F322 VanDerWaalsContact CA-CE1 3.49Å; I91-F322 HydrophobicContact CB-CD1 3.69Å; I91-F322 HydrophobicContact CB-CE1 3.6Å; I91-F322 HydrophobicContact CB-CG 4.48Å; I91-F322 HydrophobicContact CB-CZ 4.32Å; I91-F322 HydrophobicContact CD1-CB 4.06Å; I91-F322 HydrophobicContact CD1-CD1 3.92Å; I91-F322 HydrophobicContact CD1-CG 4.06Å; I91-F322 HydrophobicContact CG1-CD1 3.82Å; I91-F322 HydrophobicContact CG1-CE1 4.08Å; I91-F322 HydrophobicContact CG1-CG 4.12Å; Y94-F322 AromaticContact CD1-CD2 3.85Å; Y94-F322 HydrophobicContact CD1-CD2 3.85Å; Y94-F322 AromaticContact CD1-CE2 3.31Å; Y94-F322 HydrophobicContact CD1-CE2 3.31Å; Y94-F322 HydrophobicContact CD1-CZ 4.15Å; Y94-F322 HydrophobicContact CD2-CE2 4.19Å; Y94-F322 HydrophobicContact CE1-CD2 4.19Å; Y94-F322 AromaticContact CE1-CE2 3.93Å; Y94-F322 HydrophobicContact CE1-CE2 3.93Å; Y94-F322 HydrophobicContact CG-CD2 4.43Å; Y94-F322 AromaticContact CG-CE2 3.46Å; Y94-F322 HydrophobicContact CG-CE2 3.46Å; Y94-F322 VanDerWaalsContact CG-CE2 3.46Å; Y94-F322 AromaticContact CG-CZ 3.97Å; Y94-F322 HydrophobicContact CG-CZ 3.97Å; P320-F322 WeakPolarHBondContact O-CD1 3.41Å; F322-R324 HydrophobicContact CD2-CG 4.18Å; F322-R324 HydrophobicContact CE2-CG 3.87Å | ||
| 323 | E | 83.5 | Confident | 70.8 | Confident | 181 Ų | 181 | 97.7 Ų | 97.7 | 85% | 0.846 | 52% | 0.522 | S | S | * | . | trans | -75.1 | 127.8 | 174.3 | -167.8 | 175.3 | 177.1 | 0 | 0 | 108.9 | ||||
| 324 | R | 86.9 | Confident | 68.3 | Low | 43 Ų | 43 | 101.3 Ų | 101.3 | 16% | 0.162 | 53% | 0.529 | C | S | . | . | trans | -85.5 | 137.5 | 175.2 | -62.2 | 178.1 | 171.7 | -95.6 | -4.4 | 108 | Y94 S126 E127 P170 D174 F322 A326 | Y94-R324 HydrophobicContact CE2-CB 4.37Å; Y94-R324 HydrophobicContact CE2-CG 4.22Å; Y94-R324 WeakPolarHBondContact OH-CA 3.27Å; S126-R324 WeakPolarHBondContact O-CD 3.31Å; S126-R324 PolarHBondContact OG-NH1 3.34Å; E127-R324 WeakPolarHBondContact OE2-CB 3.39Å; P170-R324 VanDerWaalsContact CB-CZ 3.41Å; P170-R324 VanDerWaalsContact CB-NE 3.34Å; D174-R324 IonicContact OD1-NH1 3.7Å; D174-R324 PolarHBondContact OD1-NH1 2.77Å; D174-R324 IonicContact OD2-CZ 3.1Å; D174-R324 VanDerWaalsContact OD2-CZ 3.23Å; D174-R324 IonicContact OD2-NH1 3.52Å; D174-R324 PolarHBondContact OD2-NH1 3.03Å; D174-R324 IonicContact OD2-NH2 3.08Å; D174-R324 PolarHBondContact OD2-NH2 3.17Å; F322-R324 HydrophobicContact CD2-CG 4.18Å; F322-R324 HydrophobicContact CE2-CG 3.87Å; R324-A326 VanDerWaalsContact C-N 3.28Å; R324-A326 PolarHBondContact O-N 2.73Å | ||
| 325 | T | 72.1 | Confident | 65.7 | Low | 31 Ų | 31 | 102.9 Ų | 102.9 | 19% | 0.19 | 54% | 0.538 | C | S | . | . | trans | -79.5 | 82.5 | -177.6 | -62.4 | 0 | 0 | 0 | 0 | 110.1 | D9 Y94 E127 S327 | D9-T325 WeakPolarHBondContact CB-OG1 3.21Å; Y94-T325 PolarHBondContact OH-N 3.21Å; E127-T325 PolarHBondContact OE2-N 3.5Å; T325-S327 PolarHBondContact O-N 2.99Å; T325-S327 VanDerWaalsContact O-N 3.11Å | ||
| 326 | A | 60.6 | Low | 63.1 | Low | 46 Ų | 46 | 104.4 Ų | 104.4 | 38% | 0.38 | 56% | 0.564 | S | S | . | * | trans | -55.3 | 119.3 | 157.6 | 0 | 0 | 0 | 0 | 0 | 106.7 | E127 R324 K328 | E127-A326 PolarHBondContact OE2-N 3.37Å; R324-A326 VanDerWaalsContact C-N 3.28Å; R324-A326 PolarHBondContact O-N 2.73Å; A326-K328 PolarHBondContact O-N 2.82Å; A326-K328 VanDerWaalsContact O-N 3.09Å | ||
| 327 | S | 49.7 | Very low | 60.3 | Low | 36 Ų | 36 | 101.2 Ų | 101.2 | 25% | 0.252 | 56% | 0.561 | S | S | . | * | trans | -33.9 | 117.2 | -176.8 | 178.5 | 0 | 0 | 0 | 0 | 111.7 | D143 T325 R329 A330 | D143-S327 VanDerWaalsContact O-CB 3.29Å; D143-S327 WeakPolarHBondContact O-CB 3.21Å; D143-S327 PolarHBondContact O-OG 3.14Å; T325-S327 PolarHBondContact O-N 2.99Å; T325-S327 VanDerWaalsContact O-N 3.11Å; S327-R329 PolarHBondContact O-N 2.64Å; S327-A330 PolarHBondContact O-N 3.25Å | ||
| 328 | K | 46.6 | Very low | 57.4 | Low | 115 Ų | 115 | 102.9 Ų | 102.9 | 50% | 0.5 | 59% | 0.59 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -62.9 | 14.5 | -176.2 | -72.1 | 177.6 | -179.9 | 159.2 | 0 | 115.1 | A326 | A326-K328 PolarHBondContact O-N 2.82Å; A326-K328 VanDerWaalsContact O-N 3.09Å |
| 329 | R | 50.1 | Low | 54.6 | Low | 193 Ų | 193 | 102.5 Ų | 102.5 | 73% | 0.728 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.3 | -31.5 | 163.8 | -105 | -178 | -168.2 | -151.7 | 0.3 | 112.9 | S327 S331 | S327-R329 PolarHBondContact O-N 2.64Å; R329-S331 VanDerWaalsContact C-N 3.31Å; R329-S331 PolarHBondContact O-N 3.22Å |
| 330 | A | 38.1 | Very low | 52.2 | Low | 45 Ų | 45 | 103.8 Ų | 103.8 | 37% | 0.372 | 61% | 0.607 | S | S | . | * | G | 310 helix | trans | -70.5 | -24.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | S327 R332 S333 | S327-A330 PolarHBondContact O-N 3.25Å; A330-R332 PolarHBondContact O-N 3.25Å; A330-R332 VanDerWaalsContact O-N 3.14Å; A330-S333 PolarHBondContact O-N 2.88Å |
| 331 | S | 37 | Very low | 49.7 | Very low | 99 Ų | 99 | 112.4 Ų | 112.4 | 69% | 0.692 | 65% | 0.646 | S | S | * | * | G | 310 helix | trans | -73.1 | -2.5 | -179.1 | 63.9 | 0 | 0 | 0 | 0 | 115 | R329 | R329-S331 VanDerWaalsContact C-N 3.31Å; R329-S331 PolarHBondContact O-N 3.22Å |
| 332 | R | 42.3 | Very low | 47.1 | Very low | 231 Ų | 231 | 109.3 Ų | 109.3 | 87% | 0.872 | 65% | 0.645 | S | S | * | * | G | 310 helix | trans | -100.3 | -3.5 | 175.7 | -70.5 | -172.2 | 171.5 | -169.4 | -3.1 | 114.3 | A330 | A330-R332 PolarHBondContact O-N 3.25Å; A330-R332 VanDerWaalsContact O-N 3.14Å |
| 333 | S | 39.2 | Very low | 44.7 | Very low | 99 Ų | 99 | 114.1 Ų | 114.1 | 69% | 0.692 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -105.1 | 0.2 | -170.9 | -165.9 | 0 | 0 | 0 | 0 | 115.4 | A330 | A330-S333 PolarHBondContact O-N 2.88Š|
| 334 | L | 40.2 | Very low | 42 | Very low | 161 Ų | 161 | 113.4 Ų | 113.4 | 84% | 0.843 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -115.9 | 2.9 | -171.8 | -83.1 | 162.1 | 0 | 0 | 0 | 116.3 | ||
| 335 | D | 40.2 | Very low | 39.3 | Very low | 177 Ų | 177 | 122.4 Ų | 122.4 | 95% | 0.947 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -107.7 | 48.2 | 171.9 | -94.5 | -14.7 | 0 | 0 | 0 | 111.7 | ||
| 336 | G | 37.4 | Very low | 37.2 | Very low | 72 Ų | 72 | 126.4 Ų | 126.4 | 74% | 0.742 | 74% | 0.743 | S | S | * | * | trans | -133.1 | 29.8 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 337 | A | 31.3 | Very low | 36.4 | Very low | 100 Ų | 100 | 129.9 Ų | 129.9 | 83% | 0.826 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -158 | 135.8 | 167.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 338 | A | 31.1 | Very low | 35.5 | Very low | 106 Ų | 106 | 138.3 Ų | 138.3 | 88% | 0.876 | 79% | 0.788 | S | S | * | * | trans | 84.6 | 79.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 339 | A | 28.4 | Very low | 35.1 | Very low | 106 Ų | 106 | 138.2 Ų | 138.2 | 88% | 0.876 | 80% | 0.799 | S | S | * | * | trans | -137.3 | 91.3 | 135.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 340 | A | 31.1 | Very low | 34.1 | Very low | 99 Ų | 99 | 134.4 Ų | 134.4 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | -69.2 | 146.6 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 341 | E | 30.3 | Very low | 33.7 | Very low | 196 Ų | 196 | 137.5 Ų | 137.5 | 92% | 0.916 | 82% | 0.817 | S | S | * | * | trans | -48.2 | 135.6 | 178.3 | -67.4 | 170.6 | 135.3 | 0 | 0 | 113.4 | ||||
| 342 | S | 27.1 | Very low | 33.2 | Very low | 122 Ų | 122 | 137.2 Ų | 137.2 | 85% | 0.853 | 82% | 0.82 | S | S | * | * | trans | -142.5 | 123.4 | 146.2 | 57.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 343 | T | 35.3 | Very low | 33.1 | Very low | 139 Ų | 139 | 131.9 Ų | 131.9 | 85% | 0.853 | 82% | 0.816 | S | S | * | * | trans | -85.7 | 122.4 | 173.1 | 47 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 344 | D | 27.2 | Very low | 32.5 | Very low | 165 Ų | 165 | 131.5 Ų | 131.5 | 88% | 0.882 | 82% | 0.818 | S | S | * | * | trans | -160.2 | 147.4 | 142.3 | -149.4 | -2.1 | 0 | 0 | 0 | 113.5 | ||||
| 345 | R | 29.8 | Very low | 32 | Very low | 232 Ų | 232 | 131.9 Ų | 131.9 | 88% | 0.875 | 82% | 0.819 | S | S | * | * | trans | -96 | 124.5 | -171.1 | -97.3 | 175.8 | 161.8 | 172.6 | -4.2 | 112.6 | ||||
| 346 | S | 28 | Very low | 31.4 | Very low | 116 Ų | 116 | 128.1 Ų | 128.1 | 81% | 0.811 | 81% | 0.813 | S | S | * | * | trans | 59 | 165.7 | 139.7 | -111.8 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 347 | P | 44.3 | Very low | 31.1 | Very low | 119 Ų | 119 | 134.2 Ų | 134.2 | 77% | 0.773 | 82% | 0.822 | S | S | * | * | cis | -130.9 | 173.2 | -5 | 36.4 | -16.8 | 0 | 0 | 0 | 116.2 | ||||
| 348 | R | 29.6 | Very low | 30.9 | Very low | 212 Ų | 212 | 135.7 Ų | 135.7 | 80% | 0.8 | 83% | 0.826 | S | S | * | * | trans | -67.5 | 169.6 | 176.5 | -148.4 | -168.7 | -168.1 | 154.2 | 3.8 | 114.2 | ||||
| 349 | P | 38.4 | Very low | 30.8 | Very low | 113 Ų | 113 | 139.5 Ų | 139.5 | 73% | 0.734 | 83% | 0.826 | S | S | * | * | -138.8 | 130.8 | 104.8 | 31.3 | -15 | 0 | 0 | 0 | 113.5 | |||||
| 350 | T | 30.9 | Very low | 30.8 | Very low | 113 Ų | 113 | 139.9 Ų | 139.9 | 69% | 0.693 | 82% | 0.817 | S | S | * | * | 87.1 | 111.6 | 90 | -47.5 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 351 | S | 28.9 | Very low | 30.6 | Very low | 111 Ų | 111 | 141.2 Ų | 141.2 | 78% | 0.776 | 82% | 0.815 | S | S | * | * | -158 | 136.3 | 83.3 | 37.4 | 0 | 0 | 0 | 0 | 115 | |||||
| 352 | A | 25.4 | Very low | 30.4 | Very low | 92 Ų | 92 | 141.2 Ų | 141.2 | 76% | 0.76 | 82% | 0.815 | S | S | * | * | trans | -98.2 | -169.1 | 164.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 353 | P | 41.2 | Very low | 30.2 | Very low | 120 Ų | 120 | 139 Ų | 139 | 78% | 0.779 | 81% | 0.812 | S | S | * | * | cis | -129.7 | 166.8 | 11.2 | 28.9 | -4.4 | 0 | 0 | 0 | 113.9 | ||||
| 354 | A | 26.2 | Very low | 30.5 | Very low | 90 Ų | 90 | 139.2 Ų | 139.2 | 74% | 0.744 | 82% | 0.815 | S | S | * | * | cis | 89.6 | 113.2 | 32.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 355 | I | 29.8 | Very low | 30.5 | Very low | 170 Ų | 170 | 135.1 Ų | 135.1 | 87% | 0.872 | 81% | 0.812 | S | S | * | * | trans | -155.2 | 98.4 | 149.2 | -55.7 | -174.7 | 0 | 0 | 0 | 105.9 | ||||
| 356 | A | 28.3 | Very low | 30.3 | Very low | 97 Ų | 97 | 128.7 Ų | 128.7 | 80% | 0.802 | 81% | 0.808 | S | S | * | * | 88.5 | 114.9 | 73.3 | 0 | 0 | 0 | 0 | 0 | 115 | |||||
| 357 | Q | 31.4 | Very low | 31 | Very low | 201 Ų | 201 | 128.5 Ų | 128.5 | 94% | 0.939 | 80% | 0.804 | S | S | * | * | trans | -95.5 | 158.4 | 159.4 | -78.9 | 177.7 | -30.8 | 0 | 0 | 109.5 | ||||
| 358 | S | 27.4 | Very low | 30.2 | Very low | 131 Ų | 131 | 129.6 Ų | 129.6 | 92% | 0.916 | 80% | 0.802 | S | S | * | * | trans | -144 | 145 | 166.4 | 42.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 359 | Q | 27.3 | Very low | 30.1 | Very low | 186 Ų | 186 | 128.3 Ų | 128.3 | 87% | 0.869 | 80% | 0.802 | S | S | * | * | trans | -112.6 | 146.9 | -172.9 | -105.7 | -175.6 | -50.3 | 0 | 0 | 112.2 | ||||
| 360 | V | 29.8 | Very low | 29.6 | Very low | 114 Ų | 114 | 132.3 Ų | 132.3 | 69% | 0.691 | 81% | 0.808 | S | S | * | * | trans | 64.9 | 128.6 | 136.2 | -169.5 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 361 | T | 26.2 | Very low | 29.4 | Very low | 126 Ų | 126 | 133.2 Ų | 133.2 | 77% | 0.773 | 81% | 0.814 | S | S | * | * | 170 | 139.3 | 115.9 | 32.2 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 362 | E | 26.7 | Very low | 29.7 | Very low | 197 Ų | 197 | 133.3 Ų | 133.3 | 92% | 0.921 | 81% | 0.812 | S | S | * | * | trans | 65.7 | 143.3 | 148.6 | -66.1 | -167.9 | 144.3 | 0 | 0 | 127.1 | ||||
| 363 | G | 23.2 | Very low | 29.7 | Very low | 76 Ų | 76 | 138.2 Ų | 138.2 | 78% | 0.784 | 82% | 0.816 | S | S | * | * | trans | -86.9 | -147.2 | -171 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 364 | P | 40.8 | Very low | 29 | Very low | 142 Ų | 142 | 141.6 Ų | 141.6 | 92% | 0.922 | 82% | 0.821 | S | S | * | * | cis | -138.5 | 178.4 | 17.8 | 41.4 | -21.8 | 0 | 0 | 0 | 116.9 | ||||
| 365 | G | 26.5 | Very low | 29.1 | Very low | 79 Ų | 79 | 141.4 Ų | 141.4 | 81% | 0.814 | 82% | 0.82 | S | S | * | * | trans | 160.4 | 104.7 | 160.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 366 | A | 26.9 | Very low | 28.9 | Very low | 97 Ų | 97 | 140.5 Ų | 140.5 | 80% | 0.802 | 82% | 0.822 | S | S | * | * | trans | -87.8 | -171.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 367 | P | 41.5 | Very low | 28.7 | Very low | 112 Ų | 112 | 144.9 Ų | 144.9 | 73% | 0.727 | 82% | 0.823 | S | S | * | * | cis | -141.9 | -171.2 | -6.9 | 25.7 | 1.4 | 0 | 0 | 0 | 115.5 | ||||
| 368 | I | 28.5 | Very low | 28.5 | Very low | 142 Ų | 142 | 140.6 Ų | 140.6 | 73% | 0.728 | 81% | 0.81 | S | S | * | * | trans | 120 | 98.5 | 140.6 | -53 | 175 | 0 | 0 | 0 | 117.9 | ||||
| 369 | K | 27.4 | Very low | 28.3 | Very low | 185 Ų | 185 | 142.9 Ų | 142.9 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | trans | 17.7 | 132.2 | 130.6 | -52.7 | 177.4 | 177.3 | 178.7 | 0 | 119.9 | ||||
| 370 | K | 26.7 | Very low | 28.4 | Very low | 197 Ų | 197 | 142 Ų | 142 | 86% | 0.857 | 80% | 0.802 | S | S | * | * | 164.8 | 117.4 | 101.4 | -85.5 | 178.8 | -173.1 | 179 | 0 | 112 | |||||
| 371 | T | 28 | Very low | 28.2 | Very low | 132 Ų | 132 | 146.7 Ų | 146.7 | 81% | 0.81 | 81% | 0.814 | S | S | * | * | trans | -71.1 | 160.9 | 144.6 | 30.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 372 | P | 34.9 | Very low | 28.3 | Very low | 114 Ų | 114 | 152.2 Ų | 152.2 | 74% | 0.74 | 82% | 0.82 | S | S | * | * | -154 | 174.1 | 55.4 | 38.9 | -15.2 | 0 | 0 | 0 | 118.9 | |||||
| 373 | K | 25.6 | Very low | 28.3 | Very low | 195 Ų | 195 | 146 Ų | 146 | 85% | 0.848 | 81% | 0.809 | S | S | * | * | trans | 16 | 143.1 | 143.1 | -58.7 | -179.6 | 177.5 | -177.8 | 0 | 118 | ||||
| 374 | E | 26.2 | Very low | 28.6 | Very low | 190 Ų | 190 | 151.7 Ų | 151.7 | 89% | 0.888 | 82% | 0.816 | S | S | * | * | -175.4 | 165.6 | 68.8 | -160.6 | 164.4 | -163.2 | 0 | 0 | 112.4 | |||||
| 375 | A | 27.9 | Very low | 28.1 | Very low | 87 Ų | 87 | 154.1 Ų | 154.1 | 72% | 0.719 | 82% | 0.815 | S | S | * | * | trans | -66.7 | 165.3 | 179 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 376 | V | 26.9 | Very low | 28.3 | Very low | 151 Ų | 151 | 156.4 Ų | 156.4 | 92% | 0.915 | 82% | 0.815 | S | S | * | * | trans | -174 | 151.7 | 131.5 | 151.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 377 | K | 24 | Very low | 28.5 | Very low | 188 Ų | 188 | 156.5 Ų | 156.5 | 82% | 0.817 | 82% | 0.816 | S | S | * | * | trans | -79.9 | 160.2 | -168.7 | -115.1 | -176.8 | 169.8 | 179.1 | 0 | 115.2 | ||||
| 378 | V | 25.3 | Very low | 28 | Very low | 111 Ų | 111 | 160.2 Ų | 160.2 | 67% | 0.673 | 82% | 0.823 | S | S | * | * | trans | 74.4 | 122.2 | 141.1 | 177.4 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 379 | E | 25.2 | Very low | 28.2 | Very low | 180 Ų | 180 | 159.4 Ų | 159.4 | 84% | 0.841 | 83% | 0.827 | S | S | * | * | -179.2 | 161.3 | 86.9 | -144.3 | 159.6 | -148.7 | 0 | 0 | 112.9 | |||||
| 380 | E | 28.2 | Very low | 28.5 | Very low | 166 Ų | 166 | 155.4 Ų | 155.4 | 78% | 0.776 | 83% | 0.829 | S | S | * | * | trans | -66.5 | 143.6 | -172.3 | -177.3 | -179.7 | 168.7 | 0 | 0 | 115.1 | ||||
| 381 | K | 26.2 | Very low | 29 | Very low | 214 Ų | 214 | 154.9 Ų | 154.9 | 93% | 0.93 | 83% | 0.829 | S | S | * | * | trans | -150.6 | 117.9 | 150.3 | -119.1 | -179.1 | -175.1 | -178.7 | 0 | 113 | ||||
| 382 | R | 27.6 | Very low | 29.4 | Very low | 242 Ų | 242 | 154.5 Ų | 154.5 | 91% | 0.913 | 83% | 0.829 | S | S | * | * | trans | -61.9 | 144.3 | 170.6 | -169.7 | 178.1 | -172.8 | -137 | 2.3 | 112.2 | ||||
| 383 | G | 27.1 | Very low | 29.7 | Very low | 67 Ų | 67 | 157.5 Ų | 157.5 | 69% | 0.691 | 83% | 0.833 | S | S | * | * | trans | -179 | 92.9 | 167 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 384 | E | 28.6 | Very low | 30.2 | Very low | 195 Ų | 195 | 151.6 Ų | 151.6 | 91% | 0.911 | 82% | 0.815 | S | S | * | * | 81.9 | 106 | 105.5 | -103.4 | -179 | 169.8 | 0 | 0 | 114 | |||||
| 385 | E | 31.2 | Very low | 31.2 | Very low | 193 Ų | 193 | 147.1 Ų | 147.1 | 90% | 0.902 | 80% | 0.801 | S | S | * | * | trans | -63.6 | 150.4 | 166.9 | -76.2 | 176.5 | 130.9 | 0 | 0 | 111.9 | ||||
| 386 | P | 30.7 | Very low | 31.8 | Very low | 127 Ų | 127 | 149 Ų | 149 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | trans | -104.6 | 130.6 | 147.1 | 20.4 | -3.3 | 0 | 0 | 0 | 111.1 | ||||
| 387 | A | 30.4 | Very low | 32.4 | Very low | 99 Ų | 99 | 145.2 Ų | 145.2 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 144.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 388 | E | 31.8 | Very low | 33.1 | Very low | 189 Ų | 189 | 144.9 Ų | 144.9 | 88% | 0.883 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 140.5 | 164.9 | -73.6 | -174 | 141.4 | 0 | 0 | 111.5 | ||
| 389 | P | 32.2 | Very low | 33.7 | Very low | 125 Ų | 125 | 144.7 Ų | 144.7 | 81% | 0.812 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 126.1 | 163.2 | 29.3 | -27.8 | 0 | 0 | 0 | 110.7 | ||
| 390 | A | 34 | Very low | 34.1 | Very low | 101 Ų | 101 | 143.4 Ų | 143.4 | 84% | 0.835 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 137 | 177 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 391 | E | 37 | Very low | 34.4 | Very low | 186 Ų | 186 | 143 Ų | 143 | 87% | 0.869 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -71 | 142.9 | 169.7 | -66.9 | -170.9 | 152.6 | 0 | 0 | 111.2 | ||
| 392 | P | 36 | Very low | 34.9 | Very low | 124 Ų | 124 | 142.2 Ų | 142.2 | 81% | 0.805 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 140.7 | 177 | 29.9 | -32.5 | 0 | 0 | 0 | 112.1 | ||
| 393 | E | 41.4 | Very low | 35.1 | Very low | 178 Ų | 178 | 137.5 Ų | 137.5 | 83% | 0.832 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 143.9 | 177.9 | -78.6 | -151.5 | 146.6 | 0 | 0 | 113.3 | ||
| 394 | P | 36.8 | Very low | 35.6 | Very low | 70 Ų | 70 | 145.2 Ų | 145.2 | 46% | 0.455 | 74% | 0.738 | S | S | . | * | P | Polyproline II helix | trans | -73.6 | 132.3 | -180 | 29.8 | -33.3 | 0 | 0 | 0 | 112.2 | W398 | P394-W398 HydrophobicContact CB-CD2 4.39Å; P394-W398 HydrophobicContact CB-CE3 3.38Å; P394-W398 HydrophobicContact CB-CZ3 3.9Å |
| 395 | T | 45.9 | Very low | 36.1 | Very low | 96 Ų | 96 | 142.6 Ų | 142.6 | 59% | 0.589 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -64 | 152.2 | -179.4 | 52.6 | 0 | 0 | 0 | 0 | 113.2 | A397 W398 | T395-A397 PolarHBondContact O-N 3.18Å; T395-W398 PolarHBondContact O-N 2.88Å |
| 396 | E | 42.4 | Very low | 36.3 | Very low | 128 Ų | 128 | 140.4 Ų | 140.4 | 60% | 0.598 | 72% | 0.724 | S | S | * | * | H | α-helix | trans | -50.3 | -22.8 | 179.2 | -73.9 | -66.1 | 125.9 | 0 | 0 | 114.7 | W398 K399 K400 | E396-W398 VanDerWaalsContact C-N 3.32Å; E396-W398 PolarHBondContact O-N 3.35Å; E396-K399 PolarHBondContact O-N 3.42Å; E396-K399 WeakPolarHBondContact OE1-CD 3.25Å; E396-K399 WeakPolarHBondContact OE1-CE 3.42Å; E396-K399 IonicContact OE1-NZ 2.78Å; E396-K399 PolarHBondContact OE1-NZ 3.39Å; E396-K400 PolarHBondContact O-N 3.04Å; E396-K400 VanDerWaalsContact O-N 3.1Å |
| 397 | A | 39 | Very low | 36.2 | Very low | 71 Ų | 71 | 137.6 Ų | 137.6 | 59% | 0.587 | 72% | 0.718 | S | S | * | * | H | α-helix | trans | -67.7 | -27.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | T395 | T395-A397 PolarHBondContact O-N 3.18Å |
| 398 | W | 37.8 | Very low | 36.3 | Very low | 181 Ų | 181 | 141.2 Ų | 141.2 | 69% | 0.686 | 72% | 0.718 | S | S | * | * | H | α-helix | trans | -81.2 | -28.3 | 173.2 | -74.7 | -3.8 | 0 | 0 | 0 | 112.6 | P394 T395 E396 K401 R402 | P394-W398 HydrophobicContact CB-CD2 4.39Å; P394-W398 HydrophobicContact CB-CE3 3.38Å; P394-W398 HydrophobicContact CB-CZ3 3.9Å; T395-W398 PolarHBondContact O-N 2.88Å; E396-W398 VanDerWaalsContact C-N 3.32Å; E396-W398 PolarHBondContact O-N 3.35Å; W398-K401 PolarHBondContact O-N 2.93Å; W398-R402 PolarHBondContact O-N 3.29Å |
| 399 | K | 37.6 | Very low | 36.4 | Very low | 107 Ų | 107 | 137 Ų | 137 | 47% | 0.465 | 70% | 0.701 | S | S | . | * | H | α-helix | trans | -68.2 | -44.1 | 171.8 | -65.6 | -175.2 | -169.3 | 162.9 | 0 | 111.4 | E396 K401 R402 E403 | E396-K399 PolarHBondContact O-N 3.42Å; E396-K399 WeakPolarHBondContact OE1-CD 3.25Å; E396-K399 WeakPolarHBondContact OE1-CE 3.42Å; E396-K399 IonicContact OE1-NZ 2.78Å; E396-K399 PolarHBondContact OE1-NZ 3.39Å; K399-K401 PolarHBondContact O-N 2.91Å; K399-R402 WeakPolarHBondContact O-CA 3.26Å; K399-R402 WeakPolarHBondContact O-CB 3.26Å; K399-R402 PolarHBondContact O-N 3.34Å; K399-E403 PolarHBondContact O-N 2.9Å; K399-E403 VanDerWaalsContact O-N 3.11Å |
| 400 | K | 33.8 | Very low | 36.7 | Very low | 153 Ų | 153 | 137.4 Ų | 137.4 | 67% | 0.665 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -62.8 | -24.5 | 175.4 | -105.5 | 179 | 178.5 | 172.8 | 0 | 115 | E396 | E396-K400 PolarHBondContact O-N 3.04Å; E396-K400 VanDerWaalsContact O-N 3.1Å |
| 401 | K | 35.9 | Very low | 36.9 | Very low | 157 Ų | 157 | 138 Ų | 138 | 68% | 0.683 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -82.7 | -19 | 175.4 | -153.5 | 174.5 | -173.2 | 174.3 | 0 | 112.5 | W398 K399 | W398-K401 PolarHBondContact O-N 2.93Å; K399-K401 PolarHBondContact O-N 2.91Å |
| 402 | R | 35 | Very low | 37 | Very low | 197 Ų | 197 | 133.6 Ų | 133.6 | 74% | 0.743 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -84.8 | -35.7 | 176.2 | -158.8 | 176.6 | 165.3 | -157 | -7.1 | 111.3 | W398 K399 R404 L405 | W398-R402 PolarHBondContact O-N 3.29Å; K399-R402 WeakPolarHBondContact O-CA 3.26Å; K399-R402 WeakPolarHBondContact O-CB 3.26Å; K399-R402 PolarHBondContact O-N 3.34Å; R402-R404 VanDerWaalsContact C-N 3.32Å; R402-R404 PolarHBondContact O-N 3.48Å; R402-L405 WeakPolarHBondContact O-CB 3.46Å; R402-L405 PolarHBondContact O-N 2.91Å; R402-L405 VanDerWaalsContact O-N 3.09Å |
| 403 | E | 33.5 | Very low | 36.9 | Very low | 143 Ų | 143 | 137.5 Ų | 137.5 | 67% | 0.668 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -66.8 | -26.7 | 173.3 | -83.3 | 177.6 | 148.6 | 0 | 0 | 113.9 | K399 L405 | K399-E403 PolarHBondContact O-N 2.9Å; K399-E403 VanDerWaalsContact O-N 3.11Å; E403-L405 PolarHBondContact O-N 2.89Å |
| 404 | R | 36 | Very low | 36.3 | Very low | 230 Ų | 230 | 135.9 Ų | 135.9 | 87% | 0.868 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.1 | -1 | 172.2 | -70 | -171.3 | -178.5 | -172.7 | -0.4 | 114.1 | R402 | R402-R404 VanDerWaalsContact C-N 3.32Å; R402-R404 PolarHBondContact O-N 3.48Å |
| 405 | L | 39.8 | Very low | 36 | Very low | 140 Ų | 140 | 135.5 Ų | 135.5 | 73% | 0.733 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105 | 0.6 | 175.9 | -79.7 | 161.3 | 0 | 0 | 0 | 112.8 | R402 E403 G407 | R402-L405 WeakPolarHBondContact O-CB 3.46Å; R402-L405 PolarHBondContact O-N 2.91Å; R402-L405 VanDerWaalsContact O-N 3.09Å; E403-L405 PolarHBondContact O-N 2.89Å; L405-G407 VanDerWaalsContact C-N 3.26Å; L405-G407 PolarHBondContact O-N 3.47Å |
| 406 | D | 34.8 | Very low | 35.3 | Very low | 146 Ų | 146 | 134.4 Ų | 134.4 | 78% | 0.781 | 64% | 0.639 | S | S | * | * | trans | -93 | 30.5 | 171.5 | -87.8 | -16 | 0 | 0 | 0 | 112.3 | E408 | D406-E408 PolarHBondContact O-N 2.95Š| ||
| 407 | G | 29.7 | Very low | 34.9 | Very low | 68 Ų | 68 | 133.8 Ų | 133.8 | 70% | 0.701 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -81 | 96.3 | 164.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | L405 | L405-G407 VanDerWaalsContact C-N 3.26Å; L405-G407 PolarHBondContact O-N 3.47Å |
| 408 | E | 32.2 | Very low | 34.7 | Very low | 176 Ų | 176 | 138.3 Ų | 138.3 | 82% | 0.822 | 65% | 0.65 | S | S | * | * | trans | 24 | 107.9 | 164.6 | -77.5 | 174.3 | 152.3 | 0 | 0 | 117.7 | D406 I410 | D406-E408 PolarHBondContact O-N 2.95Å; E408-I410 PolarHBondContact O-N 3.36Å | ||
| 409 | N | 32.8 | Very low | 35 | Very low | 100 Ų | 100 | 134.4 Ų | 134.4 | 54% | 0.535 | 64% | 0.642 | S | S | . | * | trans | -57.1 | 110.3 | 178.7 | -170.5 | 9 | 0 | 0 | 0 | 113.3 | Y411 I412 | N409-Y411 PolarHBondContact O-N 3.05Å; N409-Y411 VanDerWaalsContact O-N 3.14Å; N409-Y411 VanDerWaalsContact OD1-CB 3.31Å; N409-Y411 WeakPolarHBondContact OD1-CB 3.3Å; N409-Y411 PolarHBondContact OD1-N 3.46Å; N409-Y411 VanDerWaalsContact OD1-N 3.15Å; N409-I412 HydrophobicContact CB-CD1 4.36Å; N409-I412 HydrophobicContact CB-CG1 4.27Å; N409-I412 PolarHBondContact O-N 2.66Å | ||
| 410 | I | 39.6 | Very low | 34.9 | Very low | 134 Ų | 134 | 137 Ų | 137 | 69% | 0.687 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -61 | -17.8 | 173.2 | -65.6 | 170.8 | 0 | 0 | 0 | 112.4 | E408 I412 R413 H414 | E408-I410 PolarHBondContact O-N 3.36Å; I410-I412 PolarHBondContact O-N 3.08Å; I410-R413 PolarHBondContact O-N 2.8Å; I410-H414 PolarHBondContact O-N 2.92Å |
| 411 | Y | 38.2 | Very low | 35.1 | Very low | 112 Ų | 112 | 135.4 Ų | 135.4 | 44% | 0.439 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -61.7 | -26.1 | 171 | -91.6 | -107.6 | 0 | 0 | 0 | 112.7 | L197 E198 N409 S415 | L197-Y411 HydrophobicContact CD1-CE2 4.44Å; E198-Y411 WeakPolarHBondContact OE1-CD1 3.5Å; N409-Y411 PolarHBondContact O-N 3.05Å; N409-Y411 VanDerWaalsContact O-N 3.14Å; N409-Y411 VanDerWaalsContact OD1-CB 3.31Å; N409-Y411 WeakPolarHBondContact OD1-CB 3.3Å; N409-Y411 PolarHBondContact OD1-N 3.46Å; N409-Y411 VanDerWaalsContact OD1-N 3.15Å; Y411-S415 WeakPolarHBondContact O-CB 3.32Å; Y411-S415 PolarHBondContact O-N 3.21Å |
| 412 | I | 38.7 | Very low | 35.5 | Very low | 95 Ų | 95 | 135 Ų | 135 | 49% | 0.487 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -75.4 | -34.8 | -179.8 | -59.8 | -176.4 | 0 | 0 | 0 | 110.7 | N409 I410 N416 | N409-I412 HydrophobicContact CB-CD1 4.36Å; N409-I412 HydrophobicContact CB-CG1 4.27Å; N409-I412 PolarHBondContact O-N 2.66Å; I410-I412 PolarHBondContact O-N 3.08Å; I412-N416 VanDerWaalsContact CG2-ND2 3.31Å; I412-N416 WeakPolarHBondContact CG2-ND2 3.35Å; I412-N416 WeakPolarHBondContact O-CB 3.42Å; I412-N416 PolarHBondContact O-N 3.17Å |
| 413 | R | 33.6 | Very low | 36.1 | Very low | 205 Ų | 205 | 133.4 Ų | 133.4 | 77% | 0.774 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -72.2 | -42 | 178.4 | -74.8 | -163.1 | -174.1 | 178.5 | 1.8 | 113 | I410 L417 | I410-R413 PolarHBondContact O-N 2.8Å; R413-L417 WeakPolarHBondContact O-CB 3.44Å; R413-L417 PolarHBondContact O-N 3.18Å; R413-L417 VanDerWaalsContact O-N 3.13Å |
| 414 | H | 30.3 | Very low | 36.9 | Very low | 145 Ų | 145 | 132.9 Ų | 132.9 | 67% | 0.671 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -79 | -22.8 | -177.6 | -138.2 | -44.1 | 0 | 0 | 0 | 113.5 | I410 | I410-H414 PolarHBondContact O-N 2.92Å |
| 415 | S | 29.7 | Very low | 37.9 | Very low | 62 Ų | 62 | 124.5 Ų | 124.5 | 43% | 0.434 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -86.5 | -35.3 | 173.5 | -170.6 | 0 | 0 | 0 | 0 | 112.8 | Y411 M418 | Y411-S415 WeakPolarHBondContact O-CB 3.32Å; Y411-S415 PolarHBondContact O-N 3.21Å; S415-M418 PolarHBondContact O-N 2.88Å |
| 416 | N | 31.1 | Very low | 38.1 | Very low | 73 Ų | 73 | 124.2 Ų | 124.2 | 39% | 0.39 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -77.8 | -24 | 177.4 | -70.7 | 5.7 | 0 | 0 | 0 | 112.7 | I412 M418 L419 E420 | I412-N416 VanDerWaalsContact CG2-ND2 3.31Å; I412-N416 WeakPolarHBondContact CG2-ND2 3.35Å; I412-N416 WeakPolarHBondContact O-CB 3.42Å; I412-N416 PolarHBondContact O-N 3.17Å; N416-M418 PolarHBondContact O-N 3.45Å; N416-L419 PolarHBondContact O-N 3.46Å; N416-L419 VanDerWaalsContact O-N 3.08Å; N416-E420 PolarHBondContact O-N 3.4Å |
| 417 | L | 33.2 | Very low | 38.8 | Very low | 114 Ų | 114 | 124.9 Ų | 124.9 | 60% | 0.597 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.7 | -5.5 | 172 | -139 | 77.1 | 0 | 0 | 0 | 114.1 | R413 I612 | R413-L417 WeakPolarHBondContact O-CB 3.44Å; R413-L417 PolarHBondContact O-N 3.18Å; R413-L417 VanDerWaalsContact O-N 3.13Å; L417-I612 HydrophobicContact CD1-CD1 3.79Å; L417-I612 HydrophobicContact CD2-CD1 4.42Å |
| 418 | M | 35.3 | Very low | 39.7 | Very low | 166 Ų | 166 | 126.7 Ų | 126.7 | 82% | 0.818 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.6 | 13.4 | 176 | -63.1 | -68.7 | -96.2 | 0 | 0 | 112.6 | S415 N416 | S415-M418 PolarHBondContact O-N 2.88Å; N416-M418 PolarHBondContact O-N 3.45Å |
| 419 | L | 43.3 | Very low | 40.5 | Very low | 99 Ų | 99 | 122.6 Ų | 122.6 | 52% | 0.518 | 60% | 0.604 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -129.4 | 0.3 | -178.2 | -88.2 | 163.6 | 0 | 0 | 0 | 115.4 | N416 D421 | N416-L419 PolarHBondContact O-N 3.46Å; N416-L419 VanDerWaalsContact O-N 3.08Å; L419-D421 VanDerWaalsContact C-N 3.34Å; L419-D421 PolarHBondContact O-N 2.89Å |
| 420 | E | 37 | Very low | 41.3 | Very low | 163 Ų | 163 | 124.1 Ų | 124.1 | 76% | 0.762 | 61% | 0.606 | S | S | * | * | trans | -97 | 66.5 | 166.1 | -73.2 | 172.8 | -170.3 | 0 | 0 | 110 | N416 | N416-E420 PolarHBondContact O-N 3.4Š| ||
| 421 | D | 37.8 | Very low | 41.9 | Very low | 118 Ų | 118 | 125.6 Ų | 125.6 | 63% | 0.631 | 61% | 0.607 | S | S | * | * | trans | -147.2 | 43.9 | 157.8 | -109.7 | -7.8 | 0 | 0 | 0 | 107.7 | L419 D423 | L419-D421 VanDerWaalsContact C-N 3.34Å; L419-D421 PolarHBondContact O-N 2.89Å; D421-D423 PolarHBondContact O-N 3.18Å | ||
| 422 | L | 43.9 | Very low | 42.2 | Very low | 148 Ų | 148 | 124.7 Ų | 124.7 | 78% | 0.775 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.3 | 63 | 169.3 | -83.7 | 164.7 | 0 | 0 | 0 | 109.3 | ||
| 423 | D | 46.9 | Very low | 42.6 | Very low | 165 Ų | 165 | 126.4 Ų | 126.4 | 88% | 0.882 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -152 | 14.6 | 153.3 | -95.6 | -20.9 | 0 | 0 | 0 | 113 | D421 | D421-D423 PolarHBondContact O-N 3.18Š|
| 424 | K | 51.4 | Low | 43.2 | Very low | 131 Ų | 131 | 118.9 Ų | 118.9 | 57% | 0.57 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -109.3 | 123.1 | 166.4 | -70.7 | 173.6 | -174.5 | 160.8 | 0 | 109.4 | I429 | K424-I429 HydrophobicContact CB-CG1 4.39Š|
| 425 | S | 56.7 | Low | 44.2 | Very low | 55 Ų | 55 | 114.2 Ų | 114.2 | 39% | 0.385 | 58% | 0.578 | S | S | . | * | trans | -60.3 | 146.4 | -175.8 | 64.3 | 0 | 0 | 0 | 0 | 110.9 | E427 E428 I429 | S425-E427 PolarHBondContact O-N 3.42Å; S425-E428 PolarHBondContact N-OE2 2.86Å; S425-E428 PolarHBondContact O-N 3.19Å; S425-E428 VanDerWaalsContact OG-CD 3.31Å; S425-E428 WeakPolarHBondContact OG-CG 3.23Å; S425-E428 PolarHBondContact OG-N 3.04Å; S425-E428 PolarHBondContact OG-OE2 3.36Å; S425-I429 PolarHBondContact O-N 3.28Å | ||
| 426 | Q | 44.4 | Very low | 45 | Very low | 133 Ų | 133 | 113.9 Ų | 113.9 | 62% | 0.621 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -53.8 | -19.3 | 173.5 | -98.6 | -94 | -39.5 | 0 | 0 | 113 | K430 | Q426-K430 WeakPolarHBondContact O-CB 3.38Å; Q426-K430 VanDerWaalsContact O-CD 3.32Å; Q426-K430 WeakPolarHBondContact O-CD 3.48Å; Q426-K430 VanDerWaalsContact O-CG 3.22Å; Q426-K430 WeakPolarHBondContact O-CG 3.42Å; Q426-K430 PolarHBondContact O-N 3.07Å |
| 427 | E | 48.6 | Very low | 45.8 | Very low | 160 Ų | 160 | 113.3 Ų | 113.3 | 75% | 0.748 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -78.7 | -40.3 | 173.4 | -71.1 | -175.2 | 162.7 | 0 | 0 | 112.4 | S425 K430 K431 | S425-E427 PolarHBondContact O-N 3.42Å; E427-K430 PolarHBondContact O-N 2.69Å; E427-K431 WeakPolarHBondContact O-CB 3.46Å; E427-K431 PolarHBondContact O-N 3.47Å |
| 428 | E | 48.4 | Very low | 46.7 | Very low | 107 Ų | 107 | 113.9 Ų | 113.9 | 50% | 0.5 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -66.7 | -41.9 | 177.3 | -76.4 | 161.7 | 146.6 | 0 | 0 | 112.4 | S425 K430 K431 H432 | S425-E428 PolarHBondContact N-OE2 2.86Å; S425-E428 PolarHBondContact O-N 3.19Å; S425-E428 VanDerWaalsContact OG-CD 3.31Å; S425-E428 WeakPolarHBondContact OG-CG 3.23Å; S425-E428 PolarHBondContact OG-N 3.04Å; S425-E428 PolarHBondContact OG-OE2 3.36Å; E428-K430 VanDerWaalsContact C-N 3.34Å; E428-K430 PolarHBondContact O-N 2.8Å; E428-K431 WeakPolarHBondContact O-CB 3.22Å; E428-K431 PolarHBondContact O-N 2.7Å; E428-H432 WeakPolarHBondContact O-CB 3.5Å; E428-H432 PolarHBondContact O-N 3.43Å |
| 429 | I | 49.6 | Very low | 47.5 | Very low | 90 Ų | 90 | 109.5 Ų | 109.5 | 46% | 0.462 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -64.3 | -40.1 | 176.9 | -62.7 | 172.3 | 0 | 0 | 0 | 110.8 | K424 S425 H432 H433 | K424-I429 HydrophobicContact CB-CG1 4.39Å; S425-I429 PolarHBondContact O-N 3.28Å; I429-H432 PolarHBondContact O-N 2.89Å; I429-H433 WeakPolarHBondContact O-CB 3.14Å; I429-H433 PolarHBondContact O-N 2.84Å |
| 430 | K | 48.9 | Very low | 47.9 | Very low | 131 Ų | 131 | 111 Ų | 111 | 57% | 0.57 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -67.5 | -37.4 | 174.4 | -74.9 | 173.5 | -170.2 | 162 | 0 | 111.7 | Q426 E427 E428 A434 | Q426-K430 WeakPolarHBondContact O-CB 3.38Å; Q426-K430 VanDerWaalsContact O-CD 3.32Å; Q426-K430 WeakPolarHBondContact O-CD 3.48Å; Q426-K430 VanDerWaalsContact O-CG 3.22Å; Q426-K430 WeakPolarHBondContact O-CG 3.42Å; Q426-K430 PolarHBondContact O-N 3.07Å; E427-K430 PolarHBondContact O-N 2.69Å; E428-K430 VanDerWaalsContact C-N 3.34Å; E428-K430 PolarHBondContact O-N 2.8Å; K430-A434 WeakPolarHBondContact O-CB 3.47Å; K430-A434 PolarHBondContact O-N 3.17Å |
| 431 | K | 52.7 | Low | 48.9 | Very low | 166 Ų | 166 | 109.1 Ų | 109.1 | 72% | 0.722 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -65.6 | -40.7 | 175.3 | -137.4 | 174.8 | -176.5 | -179.3 | 0 | 111.6 | E427 E428 S435 | E427-K431 WeakPolarHBondContact O-CB 3.46Å; E427-K431 PolarHBondContact O-N 3.47Å; E428-K431 WeakPolarHBondContact O-CB 3.22Å; E428-K431 PolarHBondContact O-N 2.7Å; K431-S435 VanDerWaalsContact O-CB 3.26Å; K431-S435 WeakPolarHBondContact O-CB 3.36Å; K431-S435 PolarHBondContact O-N 3.03Å |
| 432 | H | 44.9 | Very low | 49.5 | Very low | 93 Ų | 93 | 108 Ų | 108 | 43% | 0.431 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -68.7 | -42 | 178 | -143.2 | -67.2 | 0 | 0 | 0 | 111.9 | E428 I429 S435 I436 D582 | E428-H432 WeakPolarHBondContact O-CB 3.5Å; E428-H432 PolarHBondContact O-N 3.43Å; I429-H432 PolarHBondContact O-N 2.89Å; H432-S435 WeakPolarHBondContact O-CB 3.39Å; H432-S435 PolarHBondContact O-N 3.3Å; H432-I436 VanDerWaalsContact O-CG1 3.26Å; H432-I436 WeakPolarHBondContact O-CG1 3.1Å; H432-I436 PolarHBondContact O-N 2.72Å; H432-D582 IonicContact CE1-OD1 3.31Å; H432-D582 IonicContact CE1-OD2 2.64Å; H432-D582 PolarHBondContact CE1-OD2 3.18Å; H432-D582 IonicContact ND1-OD2 2.69Å; H432-D582 IonicContact NE2-OD2 2.78Å |
| 433 | H | 45.9 | Very low | 49.9 | Very low | 130 Ų | 130 | 104.1 Ų | 104.1 | 60% | 0.602 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -71.4 | -33.9 | 177.5 | -144.8 | 84.3 | 0 | 0 | 0 | 112.6 | I429 S437 | I429-H433 WeakPolarHBondContact O-CB 3.14Å; I429-H433 PolarHBondContact O-N 2.84Å; H433-S437 WeakPolarHBondContact O-CB 3.49Å; H433-S437 PolarHBondContact O-N 2.75Å; H433-S437 VanDerWaalsContact O-N 3.08Å; H433-S437 PolarHBondContact O-OG 2.75Å |
| 434 | A | 47.6 | Very low | 50.2 | Low | 48 Ų | 48 | 103.5 Ų | 103.5 | 40% | 0.397 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.4 | -44.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | K430 I436 S437 E438 | K430-A434 WeakPolarHBondContact O-CB 3.47Å; K430-A434 PolarHBondContact O-N 3.17Å; A434-I436 PolarHBondContact O-N 2.74Å; A434-S437 PolarHBondContact O-N 2.8Å; A434-E438 WeakPolarHBondContact O-CB 3.32Å; A434-E438 WeakPolarHBondContact O-CG 3.45Å; A434-E438 PolarHBondContact O-N 2.83Å |
| 435 | S | 50.8 | Low | 49.9 | Very low | 47 Ų | 47 | 103.2 Ų | 103.2 | 33% | 0.329 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -58.3 | -47.7 | 174.5 | -175.8 | 0 | 0 | 0 | 0 | 112 | K431 H432 S437 E438 L439 | K431-S435 VanDerWaalsContact O-CB 3.26Å; K431-S435 WeakPolarHBondContact O-CB 3.36Å; K431-S435 PolarHBondContact O-N 3.03Å; H432-S435 WeakPolarHBondContact O-CB 3.39Å; H432-S435 PolarHBondContact O-N 3.3Å; S435-S437 VanDerWaalsContact C-N 3.31Å; S435-S437 PolarHBondContact O-N 3.45Å; S435-E438 PolarHBondContact O-N 2.96Å; S435-L439 VanDerWaalsContact O-CB 3.25Å; S435-L439 WeakPolarHBondContact O-CB 3.21Å; S435-L439 WeakPolarHBondContact O-CD1 3.18Å; S435-L439 VanDerWaalsContact O-CG 3.31Å; S435-L439 WeakPolarHBondContact O-CG 3.31Å; S435-L439 PolarHBondContact O-N 3.46Å |
| 436 | I | 45.4 | Very low | 49.1 | Very low | 55 Ų | 55 | 103.7 Ų | 103.7 | 28% | 0.282 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.4 | -36.3 | 177.5 | -69.4 | 166.4 | 0 | 0 | 0 | 111.8 | H432 A434 K440 | H432-I436 VanDerWaalsContact O-CG1 3.26Å; H432-I436 WeakPolarHBondContact O-CG1 3.1Å; H432-I436 PolarHBondContact O-N 2.72Å; A434-I436 PolarHBondContact O-N 2.74Å; I436-K440 HydrophobicContact CG2-CD 4.41Å; I436-K440 WeakPolarHBondContact O-CB 3.24Å; I436-K440 VanDerWaalsContact O-CG 3.32Å; I436-K440 WeakPolarHBondContact O-CG 3.22Å; I436-K440 PolarHBondContact O-N 3.35Å |
| 437 | S | 49.6 | Very low | 49 | Very low | 60 Ų | 60 | 102.5 Ų | 102.5 | 42% | 0.42 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -76.4 | -38 | 179.6 | -59.3 | 0 | 0 | 0 | 0 | 112.1 | H433 A434 S435 K440 K441 | H433-S437 WeakPolarHBondContact O-CB 3.49Å; H433-S437 PolarHBondContact O-N 2.75Å; H433-S437 VanDerWaalsContact O-N 3.08Å; H433-S437 PolarHBondContact O-OG 2.75Å; A434-S437 PolarHBondContact O-N 2.8Å; S435-S437 VanDerWaalsContact C-N 3.31Å; S435-S437 PolarHBondContact O-N 3.45Å; S437-K440 PolarHBondContact O-N 3.08Å; S437-K441 WeakPolarHBondContact O-CB 3.23Å; S437-K441 PolarHBondContact O-N 3.5Å |
| 438 | E | 51.7 | Low | 48.7 | Very low | 127 Ų | 127 | 99.5 Ų | 99.5 | 59% | 0.593 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -67.8 | -36.6 | 171.5 | -75.3 | -170.7 | 174 | 0 | 0 | 111.7 | A434 S435 K441 N442 | A434-E438 WeakPolarHBondContact O-CB 3.32Å; A434-E438 WeakPolarHBondContact O-CG 3.45Å; A434-E438 PolarHBondContact O-N 2.83Å; S435-E438 PolarHBondContact O-N 2.96Å; E438-K441 PolarHBondContact O-N 3Å; E438-N442 VanDerWaalsContact O-CB 3.24Å; E438-N442 WeakPolarHBondContact O-CB 3.47Å; E438-N442 VanDerWaalsContact O-CG 3.3Å; E438-N442 PolarHBondContact O-N 2.81Å; E438-N442 PolarHBondContact O-ND2 3.1Å |
| 439 | L | 52.3 | Low | 48.1 | Very low | 73 Ų | 73 | 102.8 Ų | 102.8 | 38% | 0.382 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.7 | -45.3 | 172.5 | -83.5 | 159 | 0 | 0 | 0 | 111.4 | S435 K441 F443 V586 | S435-L439 VanDerWaalsContact O-CB 3.25Å; S435-L439 WeakPolarHBondContact O-CB 3.21Å; S435-L439 WeakPolarHBondContact O-CD1 3.18Å; S435-L439 VanDerWaalsContact O-CG 3.31Å; S435-L439 WeakPolarHBondContact O-CG 3.31Å; S435-L439 PolarHBondContact O-N 3.46Å; L439-K441 VanDerWaalsContact C-N 3.31Å; L439-K441 PolarHBondContact O-N 3.48Å; L439-F443 WeakPolarHBondContact O-CB 3.32Å; L439-F443 PolarHBondContact O-N 3.2Å; L439-V586 HydrophobicContact CD2-CG2 4.1Å |
| 440 | K | 50.9 | Low | 47.6 | Very low | 132 Ų | 132 | 104.4 Ų | 104.4 | 57% | 0.574 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -61 | -40.6 | 173.3 | -78.5 | 174.7 | -179.7 | 175.5 | 0 | 112 | I436 S437 M444 | I436-K440 HydrophobicContact CG2-CD 4.41Å; I436-K440 WeakPolarHBondContact O-CB 3.24Å; I436-K440 VanDerWaalsContact O-CG 3.32Å; I436-K440 WeakPolarHBondContact O-CG 3.22Å; I436-K440 PolarHBondContact O-N 3.35Å; S437-K440 PolarHBondContact O-N 3.08Å; K440-M444 WeakPolarHBondContact O-CB 3.46Å; K440-M444 VanDerWaalsContact O-CG 3.31Å; K440-M444 WeakPolarHBondContact O-CG 3.41Å; K440-M444 PolarHBondContact O-N 3.27Å; K440-M444 VanDerWaalsContact O-N 3.08Å |
| 441 | K | 58.2 | Low | 47.4 | Very low | 123 Ų | 123 | 109.2 Ų | 109.2 | 54% | 0.535 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -67.6 | -52.5 | 176.9 | -177.4 | -175.9 | 156.1 | 170.1 | 0 | 111.5 | S437 E438 L439 F443 M444 E445 | S437-K441 WeakPolarHBondContact O-CB 3.23Å; S437-K441 PolarHBondContact O-N 3.5Å; E438-K441 PolarHBondContact O-N 3Å; L439-K441 VanDerWaalsContact C-N 3.31Å; L439-K441 PolarHBondContact O-N 3.48Å; K441-F443 PolarHBondContact O-N 2.99Å; K441-M444 CarbonylContact O-C 3.54Å; K441-M444 PolarHBondContact O-N 3.15Å; K441-E445 WeakPolarHBondContact CE-OE2 3.44Å; K441-E445 IonicContact NZ-OE2 3.52Å; K441-E445 VanDerWaalsContact O-CB 3.23Å; K441-E445 WeakPolarHBondContact O-CB 3.31Å; K441-E445 PolarHBondContact O-N 3.2Å |
| 442 | N | 51.4 | Low | 46.7 | Very low | 95 Ų | 95 | 105.7 Ų | 105.7 | 51% | 0.508 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -60.3 | -34 | 177 | -76.5 | -18.9 | 0 | 0 | 0 | 112.1 | E438 E445 S446 | E438-N442 VanDerWaalsContact O-CB 3.24Å; E438-N442 WeakPolarHBondContact O-CB 3.47Å; E438-N442 VanDerWaalsContact O-CG 3.3Å; E438-N442 PolarHBondContact O-N 2.81Å; E438-N442 PolarHBondContact O-ND2 3.1Å; N442-E445 PolarHBondContact O-N 3.09Å; N442-S446 VanDerWaalsContact O-CB 3.24Å; N442-S446 WeakPolarHBondContact O-CB 3.45Å; N442-S446 PolarHBondContact O-N 3.13Å; N442-S446 PolarHBondContact O-OG 2.78Å |
| 443 | F | 52.2 | Low | 46.8 | Very low | 66 Ų | 66 | 103.7 Ų | 103.7 | 29% | 0.289 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -66.7 | -38.5 | 173.4 | 179.9 | -100.1 | 0 | 0 | 0 | 112.4 | L439 K441 I589 V601 V604 | L439-F443 WeakPolarHBondContact O-CB 3.32Å; L439-F443 PolarHBondContact O-N 3.2Å; K441-F443 PolarHBondContact O-N 2.99Å; F443-I589 HydrophobicContact CD2-CG2 3.96Å; F443-I589 HydrophobicContact CE2-CG2 3.34Å; F443-I589 HydrophobicContact CZ-CG2 4.1Å; F443-V601 HydrophobicContact CE1-CG1 4.29Å; F443-V601 HydrophobicContact CZ-CB 4.44Å; F443-V601 HydrophobicContact CZ-CG1 4.32Å; F443-V601 HydrophobicContact CZ-CG2 4.26Å; F443-V604 HydrophobicContact CE1-CG2 4.07Å; F443-V604 HydrophobicContact CZ-CG2 4.5Å |
| 444 | M | 51.5 | Low | 46.5 | Very low | 151 Ų | 151 | 105.1 Ų | 105.1 | 74% | 0.744 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -78.6 | -24.4 | 175.2 | -71.8 | -176.1 | 66.1 | 0 | 0 | 113.5 | K440 K441 | K440-M444 WeakPolarHBondContact O-CB 3.46Å; K440-M444 VanDerWaalsContact O-CG 3.31Å; K440-M444 WeakPolarHBondContact O-CG 3.41Å; K440-M444 PolarHBondContact O-N 3.27Å; K440-M444 VanDerWaalsContact O-N 3.08Å; K441-M444 CarbonylContact O-C 3.54Å; K441-M444 PolarHBondContact O-N 3.15Å |
| 445 | E | 45.9 | Very low | 46.3 | Very low | 125 Ų | 125 | 111.9 Ų | 111.9 | 58% | 0.584 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -94.6 | -16.7 | -175.6 | -159.4 | 164.4 | -155.7 | 0 | 0 | 112.6 | K441 N442 V447 | K441-E445 WeakPolarHBondContact CE-OE2 3.44Å; K441-E445 IonicContact NZ-OE2 3.52Å; K441-E445 VanDerWaalsContact O-CB 3.23Å; K441-E445 WeakPolarHBondContact O-CB 3.31Å; K441-E445 PolarHBondContact O-N 3.2Å; N442-E445 PolarHBondContact O-N 3.09Å; E445-V447 VanDerWaalsContact C-N 3.34Å; E445-V447 PolarHBondContact O-N 2.8Å |
| 446 | S | 40.3 | Very low | 46.1 | Very low | 65 Ų | 65 | 113.4 Ų | 113.4 | 46% | 0.455 | 57% | 0.571 | S | S | . | * | trans | -92.9 | 47.3 | 175.8 | 60.9 | 0 | 0 | 0 | 0 | 114 | N442 P448 K593 | N442-S446 VanDerWaalsContact O-CB 3.24Å; N442-S446 WeakPolarHBondContact O-CB 3.45Å; N442-S446 PolarHBondContact O-N 3.13Å; N442-S446 PolarHBondContact O-OG 2.78Å; S446-P448 WeakPolarHBondContact O-CD 3.22Å; S446-K593 PolarHBondContact O-NZ 3.28Å | ||
| 447 | V | 42.1 | Very low | 46.2 | Very low | 108 Ų | 108 | 117.8 Ų | 117.8 | 66% | 0.655 | 59% | 0.588 | S | S | * | * | trans | -79.6 | 115.8 | 164.6 | -177.5 | 0 | 0 | 0 | 0 | 107 | E445 E449 | E445-V447 VanDerWaalsContact C-N 3.34Å; E445-V447 PolarHBondContact O-N 2.8Å; V447-E449 PolarHBondContact O-N 3.46Å | ||
| 448 | P | 41.7 | Very low | 46.2 | Very low | 97 Ų | 97 | 124 Ų | 124 | 63% | 0.63 | 60% | 0.603 | S | S | * | * | trans | -60.4 | 141.5 | 171.2 | -14 | 27.6 | 0 | 0 | 0 | 108.9 | S446 | S446-P448 WeakPolarHBondContact O-CD 3.22Š| ||
| 449 | E | 37.5 | Very low | 45.9 | Very low | 177 Ų | 177 | 124.4 Ų | 124.4 | 83% | 0.827 | 61% | 0.608 | S | S | * | * | trans | -45 | 132.8 | 170.3 | -97 | 176.8 | 159.3 | 0 | 0 | 110 | V447 R451 | V447-E449 PolarHBondContact O-N 3.46Å; E449-R451 PolarHBondContact O-N 3.44Å | ||
| 450 | P | 38.2 | Very low | 45.6 | Very low | 123 Ų | 123 | 125.9 Ų | 125.9 | 80% | 0.799 | 62% | 0.624 | S | S | * | * | trans | -56.8 | 109.1 | -179.7 | -19.2 | 29 | 0 | 0 | 0 | 108.9 | ||||
| 451 | R | 45.5 | Very low | 45.2 | Very low | 232 Ų | 232 | 124.4 Ų | 124.4 | 88% | 0.875 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 129.1 | 165.7 | -71 | -174.9 | -170.4 | 179.7 | 4.5 | 106.3 | E449 S453 | E449-R451 PolarHBondContact O-N 3.44Å; R451-S453 PolarHBondContact O-N 3.07Å |
| 452 | P | 37.5 | Very low | 44.4 | Very low | 93 Ų | 93 | 127.1 Ų | 127.1 | 60% | 0.604 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 127.7 | -179.3 | 16.1 | -24.1 | 0 | 0 | 0 | 109.2 | D456 | P452-D456 HydrophobicContact CB-CB 4.23Š|
| 453 | S | 47.1 | Very low | 43.7 | Very low | 50 Ų | 50 | 126.9 Ų | 126.9 | 35% | 0.35 | 65% | 0.647 | S | S | . | * | P | Polyproline II helix | trans | -65.7 | 156 | -179.9 | 73.7 | 0 | 0 | 0 | 0 | 109.3 | R451 W455 D456 | R451-S453 PolarHBondContact O-N 3.07Å; S453-W455 PolarHBondContact O-N 2.71Å; S453-W455 WeakPolarHBondContact OG-CB 3.45Å; S453-W455 PolarHBondContact OG-N 3.04Å; S453-D456 PolarHBondContact N-OD2 3.27Å; S453-D456 WeakPolarHBondContact O-CB 3.23Å; S453-D456 PolarHBondContact O-N 3.24Å; S453-D456 PolarHBondContact OG-N 2.86Å; S453-D456 PolarHBondContact OG-OD2 3.05Å |
| 454 | E | 40.2 | Very low | 43 | Very low | 160 Ų | 160 | 129.5 Ų | 129.5 | 75% | 0.748 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -60.3 | -13.3 | 174.2 | -63.5 | -168.7 | 151.3 | 0 | 0 | 112.9 | ||
| 455 | W | 42.9 | Very low | 42.3 | Very low | 191 Ų | 191 | 131.4 Ų | 131.4 | 72% | 0.723 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -74.2 | -34.1 | 172.1 | -61.3 | 85.2 | 0 | 0 | 0 | 112.8 | S453 K457 R458 L459 | S453-W455 PolarHBondContact O-N 2.71Å; S453-W455 WeakPolarHBondContact OG-CB 3.45Å; S453-W455 PolarHBondContact OG-N 3.04Å; W455-K457 VanDerWaalsContact C-N 3.31Å; W455-K457 PolarHBondContact O-N 3.38Å; W455-R458 PolarHBondContact O-N 3.19Å; W455-R458 VanDerWaalsContact O-N 3.16Å; W455-L459 PolarHBondContact O-N 2.99Å; W455-L459 VanDerWaalsContact O-N 3.16Å |
| 456 | D | 46.1 | Very low | 41.9 | Very low | 79 Ų | 79 | 137 Ų | 137 | 42% | 0.422 | 69% | 0.691 | S | S | . | * | H | α-helix | trans | -70 | -29.5 | 177.3 | -63.2 | -56.8 | 0 | 0 | 0 | 112.2 | P452 S453 R458 S460 | P452-D456 HydrophobicContact CB-CB 4.23Å; S453-D456 PolarHBondContact N-OD2 3.27Å; S453-D456 WeakPolarHBondContact O-CB 3.23Å; S453-D456 PolarHBondContact O-N 3.24Å; S453-D456 PolarHBondContact OG-N 2.86Å; S453-D456 PolarHBondContact OG-OD2 3.05Å; D456-R458 VanDerWaalsContact C-N 3.33Å; D456-S460 WeakPolarHBondContact O-CB 3.36Å; D456-S460 PolarHBondContact O-N 2.63Å; D456-S460 PolarHBondContact O-OG 3.3Å |
| 457 | K | 46.7 | Very low | 41.6 | Very low | 147 Ų | 147 | 140.7 Ų | 140.7 | 64% | 0.639 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -71.6 | -26.2 | 172.7 | -72.2 | 179.5 | -179.1 | 172.1 | 0 | 112.8 | W455 T461 | W455-K457 VanDerWaalsContact C-N 3.31Å; W455-K457 PolarHBondContact O-N 3.38Å; K457-T461 PolarHBondContact O-OG1 3.25Å |
| 458 | R | 51.4 | Low | 41 | Very low | 190 Ų | 190 | 144.1 Ų | 144.1 | 72% | 0.717 | 72% | 0.724 | S | S | * | * | H | α-helix | trans | -84.4 | -33.5 | 179.5 | -75.1 | 178.8 | 152.3 | -166.5 | -5 | 113.1 | W455 D456 S460 T461 | W455-R458 PolarHBondContact O-N 3.19Å; W455-R458 VanDerWaalsContact O-N 3.16Å; D456-R458 VanDerWaalsContact C-N 3.33Å; R458-S460 VanDerWaalsContact C-N 3.33Å; R458-T461 PolarHBondContact O-OG1 3.38Å |
| 459 | L | 43.5 | Very low | 40.6 | Very low | 136 Ų | 136 | 147 Ų | 147 | 71% | 0.712 | 73% | 0.734 | S | S | * | * | H | α-helix | trans | -75.9 | -21.5 | 174.9 | -75.8 | 159.4 | 0 | 0 | 0 | 113.1 | W455 T461 | W455-L459 PolarHBondContact O-N 2.99Å; W455-L459 VanDerWaalsContact O-N 3.16Å; L459-T461 VanDerWaalsContact C-N 3.33Å; L459-T461 PolarHBondContact O-N 2.97Å |
| 460 | S | 47.6 | Very low | 40.6 | Very low | 103 Ų | 103 | 145.6 Ų | 145.6 | 72% | 0.72 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | -7.2 | 178.6 | -61.8 | 0 | 0 | 0 | 0 | 114.7 | D456 R458 | D456-S460 WeakPolarHBondContact O-CB 3.36Å; D456-S460 PolarHBondContact O-N 2.63Å; D456-S460 PolarHBondContact O-OG 3.3Å; R458-S460 VanDerWaalsContact C-N 3.33Å |
| 461 | T | 41.1 | Very low | 40.7 | Very low | 101 Ų | 101 | 146.9 Ų | 146.9 | 62% | 0.62 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -105.7 | -8.6 | -176.2 | 37.9 | 0 | 0 | 0 | 0 | 115 | K457 R458 L459 | K457-T461 PolarHBondContact O-OG1 3.25Å; R458-T461 PolarHBondContact O-OG1 3.38Å; L459-T461 VanDerWaalsContact C-N 3.33Å; L459-T461 PolarHBondContact O-N 2.97Å |
| 462 | H | 43.2 | Very low | 40.5 | Very low | 180 Ų | 180 | 139.8 Ų | 139.8 | 83% | 0.833 | 73% | 0.73 | S | S | * | * | trans | -143.5 | 80.3 | 175 | -81.9 | -78.5 | 0 | 0 | 0 | 112.6 | ||||
| 463 | S | 35.3 | Very low | 40.2 | Very low | 91 Ų | 91 | 144.4 Ų | 144.4 | 64% | 0.636 | 74% | 0.743 | S | S | * | * | trans | -123.9 | 131.4 | 160.8 | -179.3 | 0 | 0 | 0 | 0 | 109.4 | F465 | S463-F465 VanDerWaalsContact C-N 3.32Å; S463-F465 PolarHBondContact O-N 3.46Å | ||
| 464 | P | 38.4 | Very low | 39.8 | Very low | 121 Ų | 121 | 148.5 Ų | 148.5 | 79% | 0.786 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -84.8 | 14.7 | -167.5 | 34.8 | -36.8 | 0 | 0 | 0 | 115.3 | ||
| 465 | F | 35.7 | Very low | 39.6 | Very low | 190 Ų | 190 | 146.7 Ų | 146.7 | 83% | 0.833 | 77% | 0.768 | S | S | * | * | trans | -115.1 | 93 | 172.6 | -76.7 | -86.7 | 0 | 0 | 0 | 110.7 | S463 | S463-F465 VanDerWaalsContact C-N 3.32Å; S463-F465 PolarHBondContact O-N 3.46Å | ||
| 466 | R | 37.5 | Very low | 39 | Very low | 244 Ų | 244 | 144.4 Ų | 144.4 | 92% | 0.921 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -90.1 | 119.2 | 160 | -78.6 | -161.8 | -172.2 | -119.8 | 6.5 | 109.1 | ||
| 467 | T | 33.8 | Very low | 38.3 | Very low | 142 Ų | 142 | 143.5 Ų | 143.5 | 87% | 0.871 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -95.8 | 136.6 | 151.4 | 35.6 | 0 | 0 | 0 | 0 | 109.3 | ||
| 468 | L | 31 | Very low | 37.4 | Very low | 180 Ų | 180 | 144.5 Ų | 144.5 | 94% | 0.942 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 142.2 | -175.6 | -68.7 | 151.1 | 0 | 0 | 0 | 113 | ||
| 469 | N | 32.2 | Very low | 36.8 | Very low | 156 Ų | 156 | 138.8 Ų | 138.8 | 83% | 0.834 | 80% | 0.798 | S | S | * | * | trans | -117.9 | 145.9 | 159.3 | -162.8 | 8.6 | 0 | 0 | 0 | 109.9 | N471 | N469-N471 PolarHBondContact O-N 2.7Š| ||
| 470 | I | 37.7 | Very low | 36.4 | Very low | 149 Ų | 149 | 138.4 Ų | 138.4 | 76% | 0.764 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -71.1 | 105.2 | -173.3 | -75.1 | 166.2 | 0 | 0 | 0 | 110.3 | ||
| 471 | N | 39.5 | Very low | 35.7 | Very low | 150 Ų | 150 | 138.9 Ų | 138.9 | 80% | 0.802 | 80% | 0.804 | S | S | * | * | S | Bend | trans | 153.4 | 98.4 | 149.7 | -89.8 | 10.9 | 0 | 0 | 0 | 108.2 | N469 Q473 | N469-N471 PolarHBondContact O-N 2.7Å; N471-Q473 PolarHBondContact O-N 3.43Å |
| 472 | G | 41.8 | Very low | 35.3 | Very low | 82 Ų | 82 | 141.7 Ų | 141.7 | 85% | 0.845 | 81% | 0.814 | S | S | * | * | trans | -65.9 | 121.8 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 473 | Q | 30.8 | Very low | 34.5 | Very low | 191 Ų | 191 | 139 Ų | 139 | 89% | 0.893 | 81% | 0.81 | S | S | * | * | trans | -164.5 | 136.2 | 152.5 | -114.8 | 163.7 | -1.3 | 0 | 0 | 110.9 | N471 | N471-Q473 PolarHBondContact O-N 3.43Š| ||
| 474 | V | 38.8 | Very low | 34.4 | Very low | 135 Ų | 135 | 143.6 Ų | 143.6 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | trans | -102.9 | 145 | 176.1 | -178.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 475 | P | 36.5 | Very low | 33.8 | Very low | 123 Ų | 123 | 144.6 Ų | 144.6 | 80% | 0.799 | 82% | 0.823 | S | S | * | * | trans | -131.4 | 151.4 | 146.6 | 17.9 | 4 | 0 | 0 | 0 | 115.4 | ||||
| 476 | T | 31.6 | Very low | 33.2 | Very low | 142 Ų | 142 | 143.9 Ų | 143.9 | 87% | 0.871 | 82% | 0.822 | S | S | * | * | trans | -83.9 | 157.4 | -168.4 | -32.4 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 477 | G | 30.9 | Very low | 32.7 | Very low | 61 Ų | 61 | 138.8 Ų | 138.8 | 63% | 0.629 | 82% | 0.818 | S | S | * | * | trans | 103.1 | 132.2 | 133.7 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 478 | D | 28.1 | Very low | 32.2 | Very low | 168 Ų | 168 | 137.6 Ų | 137.6 | 90% | 0.898 | 81% | 0.811 | S | S | * | * | trans | 88.9 | 92 | 150.8 | -54.4 | -18.5 | 0 | 0 | 0 | 120.5 | ||||
| 479 | G | 37.1 | Very low | 32 | Very low | 70 Ų | 70 | 135.3 Ų | 135.3 | 72% | 0.722 | 80% | 0.804 | S | S | * | * | trans | -90.5 | 166.3 | 142.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 480 | P | 35.1 | Very low | 31.7 | Very low | 127 Ų | 127 | 135.1 Ų | 135.1 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | -153.9 | -154.8 | 61.5 | 41.1 | -16.4 | 0 | 0 | 0 | 111.2 | |||||
| 481 | P | 33.7 | Very low | 31 | Very low | 114 Ų | 114 | 133.3 Ų | 133.3 | 74% | 0.74 | 80% | 0.802 | S | S | * | * | cis | -131.9 | 166.2 | -2.8 | 39 | -19.1 | 0 | 0 | 0 | 117.8 | ||||
| 482 | L | 33.7 | Very low | 30.6 | Very low | 159 Ų | 159 | 133.6 Ų | 133.6 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | trans | -63.5 | 133.1 | 166.7 | -127.6 | 76.4 | 0 | 0 | 0 | 111.3 | ||||
| 483 | V | 26 | Very low | 29.9 | Very low | 124 Ų | 124 | 136.7 Ų | 136.7 | 75% | 0.752 | 81% | 0.806 | S | S | * | * | trans | -130.2 | 114.6 | 158.4 | -176.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 484 | K | 32.8 | Very low | 29.9 | Very low | 188 Ų | 188 | 131.7 Ų | 131.7 | 82% | 0.817 | 80% | 0.798 | S | S | * | * | trans | -87.1 | 131.1 | 163.7 | -79.1 | -179.9 | 174.2 | 178.4 | 0 | 108 | ||||
| 485 | T | 25.2 | Very low | 29.5 | Very low | 141 Ų | 141 | 133.4 Ų | 133.4 | 87% | 0.865 | 80% | 0.802 | S | S | * | * | trans | -156.4 | 162.1 | 157.1 | 20.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 486 | Q | 24.3 | Very low | 29.2 | Very low | 176 Ų | 176 | 132 Ų | 132 | 82% | 0.822 | 80% | 0.801 | S | S | * | * | trans | -111 | 151.7 | -139.2 | -176.1 | 177.7 | 6.1 | 0 | 0 | 111.2 | ||||
| 487 | T | 26.1 | Very low | 29.2 | Very low | 137 Ų | 137 | 132.3 Ų | 132.3 | 84% | 0.84 | 80% | 0.802 | S | S | * | * | trans | -68.2 | 128.3 | 177.5 | -1.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 488 | V | 22.4 | Very low | 29.3 | Very low | 117 Ų | 117 | 136.9 Ų | 136.9 | 71% | 0.709 | 81% | 0.805 | S | S | * | * | trans | -136.9 | 129.1 | 166.8 | -179.2 | 0 | 0 | 0 | 0 | 109.4 | I490 | V488-I490 HydrophobicContact CG1-CD1 4.3Å; V488-I490 HydrophobicContact CG1-CG1 4.13Å | ||
| 489 | T | 27.6 | Very low | 29.4 | Very low | 131 Ų | 131 | 135.2 Ų | 135.2 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | trans | -104.1 | 123.4 | 176.4 | -51.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 490 | I | 25 | Very low | 29.1 | Very low | 153 Ų | 153 | 138.7 Ų | 138.7 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | trans | -144.5 | 139 | 164.4 | -55.3 | -179.3 | 0 | 0 | 0 | 110.7 | V488 | V488-I490 HydrophobicContact CG1-CD1 4.3Å; V488-I490 HydrophobicContact CG1-CG1 4.13Å | ||
| 491 | S | 24.6 | Very low | 28.8 | Very low | 110 Ų | 110 | 140.7 Ų | 140.7 | 77% | 0.769 | 81% | 0.806 | S | S | * | * | trans | -78.2 | 169.8 | -168.8 | -39.7 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 492 | D | 30.3 | Very low | 28.7 | Very low | 156 Ų | 156 | 140.6 Ų | 140.6 | 83% | 0.834 | 81% | 0.805 | S | S | * | * | trans | -46.9 | 135.9 | 173.9 | -78.6 | -35.1 | 0 | 0 | 0 | 115.9 | ||||
| 493 | T | 26.5 | Very low | 28.6 | Very low | 148 Ų | 148 | 140 Ų | 140 | 91% | 0.908 | 81% | 0.808 | S | S | * | * | -169.8 | 150.1 | 127.9 | 5 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 494 | A | 31.8 | Very low | 28.8 | Very low | 86 Ų | 86 | 143.5 Ų | 143.5 | 71% | 0.711 | 81% | 0.813 | S | S | * | * | trans | -63.8 | 146.5 | -170.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 495 | N | 29.6 | Very low | 28.7 | Very low | 170 Ų | 170 | 141.4 Ų | 141.4 | 91% | 0.909 | 81% | 0.811 | S | S | * | * | -175.9 | 135.8 | 118.6 | -101.3 | -25.6 | 0 | 0 | 0 | 112.5 | |||||
| 496 | A | 31.7 | Very low | 29 | Very low | 93 Ų | 93 | 139.2 Ų | 139.2 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | trans | -83.1 | 141.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 497 | V | 30.6 | Very low | 29.2 | Very low | 150 Ų | 150 | 136.3 Ų | 136.3 | 91% | 0.909 | 79% | 0.794 | S | S | * | * | trans | -137 | 121.6 | 149.8 | 176.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 498 | K | 33.9 | Very low | 29.7 | Very low | 157 Ų | 157 | 136.6 Ų | 136.6 | 68% | 0.683 | 79% | 0.788 | S | S | * | * | trans | -66.8 | 149.6 | -179.7 | -81.2 | -176.4 | 171.3 | -165.1 | 0 | 113.2 | E500 | K498-E500 WeakPolarHBondContact CE-OE1 3.07Å; K498-E500 IonicContact NZ-OE1 2.71Å; K498-E500 PolarHBondContact NZ-OE1 3.44Å | ||
| 499 | S | 30.1 | Very low | 30 | Very low | 132 Ų | 132 | 136.4 Ų | 136.4 | 92% | 0.923 | 79% | 0.787 | S | S | * | * | trans | -139.5 | 118.7 | 139.6 | -83 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 500 | E | 29.3 | Very low | 30.3 | Very low | 144 Ų | 144 | 137.2 Ų | 137.2 | 67% | 0.673 | 78% | 0.782 | S | S | * | * | trans | -101.1 | 140.3 | 176.7 | -75.7 | 171.8 | -176.4 | 0 | 0 | 109.8 | K498 | K498-E500 WeakPolarHBondContact CE-OE1 3.07Å; K498-E500 IonicContact NZ-OE1 2.71Å; K498-E500 PolarHBondContact NZ-OE1 3.44Å | ||
| 501 | I | 29 | Very low | 30.5 | Very low | 169 Ų | 169 | 135 Ų | 135 | 87% | 0.867 | 78% | 0.776 | S | S | * | * | trans | -139 | 141.3 | 146.4 | -63.6 | -174.3 | 0 | 0 | 0 | 107.4 | ||||
| 502 | P | 32.2 | Very low | 30.8 | Very low | 112 Ų | 112 | 137.2 Ų | 137.2 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | trans | -107 | 147.2 | -146.2 | 37.6 | -28.3 | 0 | 0 | 0 | 114 | ||||
| 503 | T | 31 | Very low | 30.9 | Very low | 146 Ų | 146 | 135.5 Ų | 135.5 | 90% | 0.896 | 77% | 0.769 | S | S | * | * | trans | -139.4 | 140.3 | 149.7 | 44.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 504 | K | 30.4 | Very low | 31.1 | Very low | 197 Ų | 197 | 137.1 Ų | 137.1 | 86% | 0.857 | 76% | 0.764 | S | S | * | * | trans | -64.4 | 128.6 | -163.7 | -76.1 | 175.1 | 164.7 | -178.9 | 0 | 114.6 | ||||
| 505 | D | 31 | Very low | 31.1 | Very low | 144 Ų | 144 | 138.7 Ų | 138.7 | 77% | 0.77 | 76% | 0.764 | S | S | * | * | trans | 48.9 | 94 | 132.6 | -54.7 | -39.6 | 0 | 0 | 0 | 120.9 | ||||
| 506 | V | 31.2 | Very low | 31.1 | Very low | 96 Ų | 96 | 137.4 Ų | 137.4 | 58% | 0.582 | 76% | 0.756 | S | S | * | * | -142.2 | 136 | 125.7 | -173.3 | 0 | 0 | 0 | 0 | 106.8 | I508 | V506-I508 PolarHBondContact O-N 2.8Å; V506-I508 VanDerWaalsContact O-N 3.1Å | |||
| 507 | P | 29 | Very low | 31.1 | Very low | 114 Ų | 114 | 139.2 Ų | 139.2 | 74% | 0.74 | 76% | 0.758 | S | S | * | * | trans | -71.5 | 109.2 | -172.3 | 27.6 | -33.5 | 0 | 0 | 0 | 111.5 | V509 | P507-V509 PolarHBondContact O-N 2.99Š| ||
| 508 | I | 35.6 | Very low | 30.9 | Very low | 143 Ų | 143 | 142 Ų | 142 | 73% | 0.733 | 75% | 0.753 | S | S | * | * | trans | -86.9 | 100.3 | 168.6 | -59.7 | 172.6 | 0 | 0 | 0 | 107.4 | V506 H510 | V506-I508 PolarHBondContact O-N 2.8Å; V506-I508 VanDerWaalsContact O-N 3.1Å; I508-H510 PolarHBondContact O-N 2.94Å | ||
| 509 | V | 29.9 | Very low | 30.9 | Very low | 113 Ų | 113 | 143.8 Ų | 143.8 | 69% | 0.685 | 76% | 0.764 | S | S | * | * | trans | -82 | 102.7 | 166.1 | 179.4 | 0 | 0 | 0 | 0 | 107.5 | P507 T511 | P507-V509 PolarHBondContact O-N 2.99Å; V509-T511 HydrophobicContact CG1-CG2 4.08Å; V509-T511 PolarHBondContact O-N 3.36Å | ||
| 510 | H | 33.5 | Very low | 30.9 | Very low | 148 Ų | 148 | 142 Ų | 142 | 69% | 0.685 | 76% | 0.758 | S | S | * | * | trans | -82.5 | 105.3 | 170.8 | -124.2 | 75.1 | 0 | 0 | 0 | 108.7 | I508 | I508-H510 PolarHBondContact O-N 2.94Š| ||
| 511 | T | 28.8 | Very low | 30.9 | Very low | 107 Ų | 107 | 139.6 Ų | 139.6 | 66% | 0.656 | 76% | 0.762 | S | S | * | * | trans | -103.3 | 101.1 | 170.2 | 34.5 | 0 | 0 | 0 | 0 | 110 | V509 T513 | V509-T511 HydrophobicContact CG1-CG2 4.08Å; V509-T511 PolarHBondContact O-N 3.36Å; T511-T513 PolarHBondContact O-N 3.49Å | ||
| 512 | E | 32 | Very low | 31 | Very low | 157 Ų | 157 | 140.2 Ų | 140.2 | 73% | 0.734 | 76% | 0.761 | S | S | * | * | trans | -81.2 | 111.5 | 168.3 | -70.6 | -172.1 | 174.6 | 0 | 0 | 109.7 | ||||
| 513 | T | 32 | Very low | 31 | Very low | 120 Ų | 120 | 141.2 Ų | 141.2 | 74% | 0.736 | 77% | 0.766 | S | S | * | * | trans | -102.3 | 106.8 | 168.8 | -53.8 | 0 | 0 | 0 | 0 | 109 | T511 | T511-T513 PolarHBondContact O-N 3.49Š| ||
| 514 | K | 29.8 | Very low | 31.4 | Very low | 182 Ų | 182 | 142.8 Ų | 142.8 | 79% | 0.791 | 76% | 0.763 | S | S | * | * | trans | -84.6 | 106.3 | 170.6 | -76.6 | -177.4 | 178.5 | 175.3 | 0 | 109.5 | ||||
| 515 | T | 32.3 | Very low | 31.4 | Very low | 118 Ų | 118 | 141.3 Ų | 141.3 | 72% | 0.724 | 76% | 0.764 | S | S | * | * | trans | -92.5 | 115.2 | 171.7 | -52.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 516 | I | 29.4 | Very low | 31.7 | Very low | 144 Ų | 144 | 139.4 Ų | 139.4 | 74% | 0.738 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 118.9 | 169.1 | -61.4 | 170.7 | 0 | 0 | 0 | 107.2 | Y518 | I516-Y518 PolarHBondContact O-N 2.92Š|
| 517 | T | 31.8 | Very low | 32 | Very low | 131 Ų | 131 | 142.5 Ų | 142.5 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 117.7 | 176.6 | -43.7 | 0 | 0 | 0 | 0 | 109.7 | ||
| 518 | Y | 27.2 | Very low | 32.3 | Very low | 207 Ų | 207 | 140.8 Ų | 140.8 | 81% | 0.812 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 142 | 163.6 | -84.4 | -94.8 | 0 | 0 | 0 | 109.7 | I516 A520 | I516-Y518 PolarHBondContact O-N 2.92Å; Y518-A520 PolarHBondContact O-N 3.43Å |
| 519 | E | 32.6 | Very low | 32.6 | Very low | 195 Ų | 195 | 140.6 Ų | 140.6 | 91% | 0.911 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 119.2 | 169.4 | -75.7 | 179.8 | 150 | 0 | 0 | 109.9 | A521 | E519-A521 PolarHBondContact O-N 3.34Š|
| 520 | A | 30.8 | Very low | 33.2 | Very low | 96 Ų | 96 | 142.1 Ų | 142.1 | 79% | 0.793 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -70 | 122.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | Y518 Q522 | Y518-A520 PolarHBondContact O-N 3.43Å; A520-Q522 PolarHBondContact O-N 2.8Å |
| 521 | A | 29.4 | Very low | 33.7 | Very low | 92 Ų | 92 | 140 Ų | 140 | 76% | 0.76 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -51.6 | 132.6 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110 | E519 T523 | E519-A521 PolarHBondContact O-N 3.34Å; A521-T523 PolarHBondContact O-N 2.89Å |
| 522 | Q | 32.2 | Very low | 34.8 | Very low | 182 Ų | 182 | 138.5 Ų | 138.5 | 85% | 0.85 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -50.1 | 124.4 | 175.1 | -70.2 | -178.2 | -22.6 | 0 | 0 | 110.5 | A520 | A520-Q522 PolarHBondContact O-N 2.8Š|
| 523 | T | 31.2 | Very low | 36 | Very low | 134 Ų | 134 | 131.9 Ų | 131.9 | 82% | 0.822 | 74% | 0.743 | S | S | * | * | trans | -105.4 | 114.4 | 153.5 | 34.8 | 0 | 0 | 0 | 0 | 106.2 | A521 D525 | A521-T523 PolarHBondContact O-N 2.89Å; T523-D525 PolarHBondContact O-N 3.2Å; T523-D525 VanDerWaalsContact O-N 3.1Å | ||
| 524 | E | 38.9 | Very low | 37.6 | Very low | 179 Ų | 179 | 130.6 Ų | 130.6 | 84% | 0.836 | 73% | 0.734 | S | S | * | * | trans | -64.5 | 104.3 | 176.1 | -68.8 | -175.1 | 155.1 | 0 | 0 | 109.2 | ||||
| 525 | D | 31.7 | Very low | 39.4 | Very low | 166 Ų | 166 | 126.5 Ų | 126.5 | 89% | 0.888 | 72% | 0.721 | S | S | * | * | trans | -139.7 | 116.4 | 155.1 | -90.3 | -36.1 | 0 | 0 | 0 | 108.3 | T523 | T523-D525 PolarHBondContact O-N 3.2Å; T523-D525 VanDerWaalsContact O-N 3.1Å | ||
| 526 | S | 36 | Very low | 41.3 | Very low | 104 Ų | 104 | 125.2 Ų | 125.2 | 73% | 0.727 | 71% | 0.709 | S | S | * | * | trans | -88.1 | 131.8 | -168.1 | 177.1 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 527 | N | 38.2 | Very low | 43.2 | Very low | 161 Ų | 161 | 122.2 Ų | 122.2 | 86% | 0.861 | 70% | 0.697 | S | S | * | * | trans | 79.6 | 128.6 | 159.9 | -64.8 | -8.8 | 0 | 0 | 0 | 118.6 | ||||
| 528 | G | 36.1 | Very low | 45.4 | Very low | 78 Ų | 78 | 119.6 Ų | 119.6 | 80% | 0.804 | 69% | 0.689 | S | S | * | * | cis | 166.4 | 111 | 1.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 529 | D | 41.2 | Very low | 47.3 | Very low | 138 Ų | 138 | 115.2 Ų | 115.2 | 74% | 0.738 | 68% | 0.675 | S | S | * | * | trans | -164.8 | 86 | 143.4 | 177.9 | 32.1 | 0 | 0 | 0 | 106.7 | ||||
| 530 | L | 42.8 | Very low | 49.1 | Very low | 145 Ų | 145 | 110 Ų | 110 | 76% | 0.759 | 66% | 0.657 | S | S | * | * | trans | -150.3 | 98.1 | 173.2 | -64.7 | 175.5 | 0 | 0 | 0 | 107.2 | P532 | L530-P532 HydrophobicContact CB-CB 4.01Å; L530-P532 HydrophobicContact CB-CG 3.88Å; L530-P532 HydrophobicContact CD1-CB 4.47Å; L530-P532 HydrophobicContact CD2-CB 4.03Å; L530-P532 HydrophobicContact CG-CB 4.38Å; L530-P532 WeakPolarHBondContact O-CD 3.24Å | ||
| 531 | D | 42.7 | Very low | 51.1 | Low | 103 Ų | 103 | 108.6 Ų | 108.6 | 55% | 0.551 | 64% | 0.635 | S | S | * | * | -82.7 | 91.7 | 119.4 | -170.7 | 26.7 | 0 | 0 | 0 | 104.4 | G533 | D531-G533 PolarHBondContact O-N 2.98Š| |||
| 532 | P | 52 | Low | 53.2 | Low | 77 Ų | 77 | 107.4 Ų | 107.4 | 50% | 0.5 | 62% | 0.619 | S | S | . | * | trans | -70.7 | 95.6 | 177.5 | 27.8 | -19 | 0 | 0 | 0 | 103.7 | L530 V534 | L530-P532 HydrophobicContact CB-CB 4.01Å; L530-P532 HydrophobicContact CB-CG 3.88Å; L530-P532 HydrophobicContact CD1-CB 4.47Å; L530-P532 HydrophobicContact CD2-CB 4.03Å; L530-P532 HydrophobicContact CG-CB 4.38Å; L530-P532 WeakPolarHBondContact O-CD 3.24Å; P532-V534 PolarHBondContact O-N 3.1Å; P532-V534 VanDerWaalsContact O-N 3.08Å | ||
| 533 | G | 57.3 | Low | 54.9 | Low | 18 Ų | 18 | 101.8 Ų | 101.8 | 19% | 0.186 | 60% | 0.6 | C | S | . | * | trans | -41.4 | 125.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | D531 L535 V558 | D531-G533 PolarHBondContact O-N 2.98Å; G533-L535 PolarHBondContact O-N 3.39Å; G533-V558 CarbonylContact C-O 3.58Å; G533-V558 VanDerWaalsContact C-O 3.26Å; G533-V558 WeakPolarHBondContact CA-O 3.44Å | ||
| 534 | V | 65.4 | Low | 56.6 | Low | 93 Ų | 93 | 102.2 Ų | 102.2 | 56% | 0.564 | 59% | 0.593 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -59.3 | 117.2 | -165.1 | 177.7 | 0 | 0 | 0 | 0 | 108.2 | P532 L536 T557 V558 | P532-V534 PolarHBondContact O-N 3.1Å; P532-V534 VanDerWaalsContact O-N 3.08Å; V534-L536 PolarHBondContact O-N 3.4Å; V534-T557 CarbonylContact O-C 3.58Å; V534-T557 WeakPolarHBondContact O-CA 3.4Å; V534-V558 PolarHBondContact N-O 2.85Å; V534-V558 PolarHBondContact O-N 2.94Å |
| 535 | L | 69.4 | Low | 57.9 | Low | 96 Ų | 96 | 97.2 Ų | 97.2 | 50% | 0.503 | 57% | 0.574 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -65.6 | 108.6 | 174.6 | 179.5 | 69.4 | 0 | 0 | 0 | 107.7 | G533 A538 T555 T557 | G533-L535 PolarHBondContact O-N 3.39Å; L535-A538 HydrophobicContact CD1-CB 4.48Å; L535-A538 HydrophobicContact CD2-CB 4.27Å; L535-T555 HydrophobicContact CD1-CG2 3.26Å; L535-T557 HydrophobicContact CD1-CG2 4.01Å |
| 536 | L | 70.4 | Confident | 59.3 | Low | 91 Ų | 91 | 96 Ų | 96 | 48% | 0.476 | 57% | 0.573 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -78.2 | -47.3 | 178.5 | -67.9 | -175.8 | 0 | 0 | 0 | 110.8 | V534 K556 V558 | V534-L536 PolarHBondContact O-N 3.4Å; L536-K556 HydrophobicContact CB-CB 4.44Å; L536-K556 HydrophobicContact CB-CG 4.47Å; L536-K556 HydrophobicContact CD1-CD 4.11Å; L536-K556 HydrophobicContact CD1-CG 4.22Å; L536-K556 PolarHBondContact N-O 2.77Å; L536-V558 HydrophobicContact CD1-CG2 3.36Å; L536-V558 HydrophobicContact CD2-CG2 4.22Å; L536-V558 HydrophobicContact CG-CG2 3.77Å |
| 537 | T | 70.6 | Confident | 60.4 | Low | 81 Ų | 81 | 92.8 Ų | 92.8 | 50% | 0.497 | 55% | 0.551 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -151.8 | 139 | -175.1 | 58.9 | 0 | 0 | 0 | 0 | 110.4 | K556 | T537-K556 PolarHBondContact N-O 2.79Å; T537-K556 PolarHBondContact O-N 2.97Å; T537-K556 WeakPolarHBondContact OG1-CB 3.16Å |
| 538 | A | 76.6 | Confident | 61.9 | Low | 75 Ų | 75 | 85.8 Ų | 85.8 | 62% | 0.62 | 51% | 0.514 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126 | 127.5 | 166.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | L535 I554 | L535-A538 HydrophobicContact CD1-CB 4.48Å; L535-A538 HydrophobicContact CD2-CB 4.27Å; A538-I554 CarbonylContact C-O 3.53Å; A538-I554 WeakPolarHBondContact CA-O 3.27Å |
| 539 | Q | 67.1 | Low | 63.8 | Low | 115 Ų | 115 | 83.9 Ų | 83.9 | 54% | 0.537 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 133.7 | 177.9 | -173.3 | 176.9 | -2.5 | 0 | 0 | 108.9 | I541 I554 | Q539-I541 HydrophobicContact CG-CG1 4.16Å; Q539-I554 HydrophobicContact CB-CB 4.47Å; Q539-I554 PolarHBondContact N-O 2.96Å; Q539-I554 PolarHBondContact O-N 3.06Å |
| 540 | T | 71.1 | Confident | 65.4 | Low | 85 Ų | 85 | 78.3 Ų | 78.3 | 52% | 0.521 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 128.6 | 171.4 | -57.8 | 0 | 0 | 0 | 0 | 108.5 | T551 T552 Q553 | T540-T551 HydrophobicContact CG2-CG2 3.77Å; T540-T552 CarbonylContact C-O 3.56Å; T540-T552 WeakPolarHBondContact CA-O 3.34Å; T540-Q553 HydrophobicContact CG2-CG 4.14Å |
| 541 | I | 73.5 | Confident | 67.1 | Low | 67 Ų | 67 | 72.9 Ų | 72.9 | 34% | 0.344 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 117.6 | 178 | -54.5 | 173.3 | 0 | 0 | 0 | 107 | Q539 T551 T552 I554 | Q539-I541 HydrophobicContact CG-CG1 4.16Å; I541-T551 CarbonylContact O-C 3.26Å; I541-T551 WeakPolarHBondContact O-CA 3.39Å; I541-T552 PolarHBondContact N-O 3.32Å; I541-T552 PolarHBondContact O-N 3.41Å; I541-I554 HydrophobicContact CD1-CD1 4.26Å |
| 542 | T | 72.6 | Confident | 68.7 | Low | 68 Ų | 68 | 68.4 Ų | 68.4 | 42% | 0.417 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 131.5 | 173.9 | -53 | 0 | 0 | 0 | 0 | 109 | T549 T550 | T542-T549 HydrophobicContact CG2-CG2 4.11Å; T542-T550 CarbonylContact C-O 3.52Å; T542-T550 WeakPolarHBondContact CA-O 3.35Å |
| 543 | S | 67.4 | Low | 69.9 | Low | 63 Ų | 63 | 69.2 Ų | 69.2 | 44% | 0.441 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 130.6 | 175.6 | 172.2 | 0 | 0 | 0 | 0 | 108.4 | T550 | S543-T550 PolarHBondContact N-O 3.05Å; S543-T550 PolarHBondContact O-N 3.16Å |
| 544 | E | 67.4 | Low | 70.9 | Confident | 144 Ų | 144 | 69.9 Ų | 69.9 | 67% | 0.673 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 138 | 177.6 | -70.9 | 177.8 | -179.9 | 0 | 0 | 109.6 | T549 | E544-T549 HydrophobicContact CG-CG2 3.84Å |
| 545 | T | 65.6 | Low | 71.6 | Confident | 74 Ų | 74 | 67.6 Ų | 67.6 | 45% | 0.454 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 165.7 | 171.1 | 28.4 | 0 | 0 | 0 | 0 | 108.4 | S547 S548 | T545-S547 PolarHBondContact O-N 3.5Å; T545-S548 PolarHBondContact N-O 2.8Å; T545-S548 PolarHBondContact O-N 3.33Å; T545-S548 PolarHBondContact OG1-O 2.82Å; T545-S548 PolarHBondContact OG1-OG 2.77Å |
| 546 | T | 61.5 | Low | 72 | Confident | 140 Ų | 140 | 66.5 Ų | 66.5 | 86% | 0.859 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | -25.9 | -175.3 | -47.3 | 0 | 0 | 0 | 0 | 114.5 | ||
| 547 | S | 60.5 | Low | 72.5 | Confident | 37 Ų | 37 | 63.9 Ų | 63.9 | 26% | 0.259 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.2 | 0.6 | -179 | 55.8 | 0 | 0 | 0 | 0 | 114.4 | T545 I573 T574 | T545-S547 PolarHBondContact O-N 3.5Å; S547-I573 WeakPolarHBondContact O-CA 3.42Å; S547-T574 CarbonylContact C-O 3.57Å; S547-T574 PolarHBondContact O-N 2.82Å; S547-T574 VanDerWaalsContact O-O 3.13Å |
| 548 | S | 69 | Low | 72.5 | Confident | 13 Ų | 13 | 61.9 Ų | 61.9 | 9% | 0.091 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 145.8 | -178.9 | 79.9 | 0 | 0 | 0 | 0 | 114.7 | T545 V572 | T545-S548 PolarHBondContact N-O 2.8Å; T545-S548 PolarHBondContact O-N 3.33Å; T545-S548 PolarHBondContact OG1-O 2.82Å; T545-S548 PolarHBondContact OG1-OG 2.77Å; S548-V572 CarbonylContact C-O 3.59Å; S548-V572 WeakPolarHBondContact CA-O 3.48Å; S548-V572 WeakPolarHBondContact CB-O 3.39Å |
| 549 | T | 76.2 | Confident | 72.3 | Confident | 39 Ų | 39 | 64.3 Ų | 64.3 | 24% | 0.239 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 120.2 | 170.7 | -57.6 | 0 | 0 | 0 | 0 | 109.4 | T542 E544 V572 | T542-T549 HydrophobicContact CG2-CG2 4.11Å; E544-T549 HydrophobicContact CG-CG2 3.84Å; T549-V572 PolarHBondContact N-O 3.39Å; T549-V572 PolarHBondContact O-N 3.19Å |
| 550 | T | 74 | Confident | 72.3 | Confident | 20 Ų | 20 | 62.3 Ų | 62.3 | 12% | 0.123 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 121.6 | 178.7 | -63.8 | 0 | 0 | 0 | 0 | 110.5 | T542 S543 K569 R570 I571 | T542-T550 CarbonylContact C-O 3.52Å; T542-T550 WeakPolarHBondContact CA-O 3.35Å; S543-T550 PolarHBondContact N-O 3.05Å; S543-T550 PolarHBondContact O-N 3.16Å; T550-K569 HydrophobicContact CG2-CD 4.27Å; T550-K569 HydrophobicContact CG2-CG 4.01Å; T550-R570 CarbonylContact C-O 3.52Å; T550-R570 WeakPolarHBondContact CA-O 3.33Å; T550-I571 HydrophobicContact CG2-CG1 3.96Å |
| 551 | T | 78.2 | Confident | 72 | Confident | 31 Ų | 31 | 61.7 Ų | 61.7 | 19% | 0.19 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 119.7 | 174 | -50 | 0 | 0 | 0 | 0 | 109.9 | T540 I541 K569 R570 | T540-T551 HydrophobicContact CG2-CG2 3.77Å; I541-T551 CarbonylContact O-C 3.26Å; I541-T551 WeakPolarHBondContact O-CA 3.39Å; T551-K569 WeakPolarHBondContact O-CA 3.42Å; T551-R570 PolarHBondContact N-O 2.8Å; T551-R570 PolarHBondContact O-N 3.27Å |
| 552 | T | 76.6 | Confident | 71.3 | Confident | 10 Ų | 10 | 64.7 Ų | 64.7 | 6% | 0.061 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 117.6 | 177.7 | -50.9 | 0 | 0 | 0 | 0 | 109.6 | T540 I541 I554 I567 E568 | T540-T552 CarbonylContact C-O 3.56Å; T540-T552 WeakPolarHBondContact CA-O 3.34Å; I541-T552 PolarHBondContact N-O 3.32Å; I541-T552 PolarHBondContact O-N 3.41Å; T552-I554 HydrophobicContact CG2-CG1 4.13Å; T552-I567 HydrophobicContact CG2-CG2 3.66Å; T552-E568 CarbonylContact C-O 3.59Å; T552-E568 WeakPolarHBondContact CA-O 3.44Å |
| 553 | Q | 77.4 | Confident | 71.2 | Confident | 94 Ų | 94 | 64.6 Ų | 64.6 | 44% | 0.439 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 121.8 | 173.1 | -66.5 | -175.9 | -0.8 | 0 | 0 | 109.6 | T540 I567 E568 | T540-Q553 HydrophobicContact CG2-CG 4.14Å; Q553-I567 CarbonylContact O-C 3.55Å; Q553-I567 WeakPolarHBondContact O-CA 3.37Å; Q553-E568 HydrophobicContact CB-CB 4.48Å; Q553-E568 PolarHBondContact N-O 2.82Å; Q553-E568 PolarHBondContact O-N 2.78Å |
| 554 | I | 78.8 | Confident | 71.6 | Confident | 32 Ų | 32 | 67.2 Ų | 67.2 | 16% | 0.164 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 123 | 178.4 | -55.2 | 176.3 | 0 | 0 | 0 | 107.7 | A538 Q539 I541 T552 T565 R566 I567 | A538-I554 CarbonylContact C-O 3.53Å; A538-I554 WeakPolarHBondContact CA-O 3.27Å; Q539-I554 HydrophobicContact CB-CB 4.47Å; Q539-I554 PolarHBondContact N-O 2.96Å; Q539-I554 PolarHBondContact O-N 3.06Å; I541-I554 HydrophobicContact CD1-CD1 4.26Å; T552-I554 HydrophobicContact CG2-CG1 4.13Å; I554-T565 HydrophobicContact CG2-CG2 4.14Å; I554-R566 WeakPolarHBondContact CA-O 3.4Å; I554-I567 HydrophobicContact CD1-CD1 4.49Å; I554-I567 HydrophobicContact CG1-CD1 4.31Å; I554-I567 HydrophobicContact CG1-CG1 4.13Å; I554-I567 HydrophobicContact CG1-CG2 4.28Å; I554-I567 HydrophobicContact CG2-CG1 4.21Å |
| 555 | T | 79.9 | Confident | 72.2 | Confident | 45 Ų | 45 | 63.5 Ų | 63.5 | 28% | 0.276 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 122.7 | -178.2 | -50.2 | 0 | 0 | 0 | 0 | 109.1 | L535 T557 T565 R566 | L535-T555 HydrophobicContact CD1-CG2 3.26Å; T555-T557 HydrophobicContact CG2-CG2 4.16Å; T555-T565 CarbonylContact O-C 3.56Å; T555-T565 WeakPolarHBondContact O-CA 3.37Å; T555-R566 PolarHBondContact N-O 3.18Å; T555-R566 PolarHBondContact O-N 3.36Å |
| 556 | K | 78.1 | Confident | 72.8 | Confident | 73 Ų | 73 | 66.8 Ų | 66.8 | 32% | 0.317 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 122.3 | 174.6 | -168.3 | 176.6 | -178.3 | 177.1 | 0 | 109.9 | L536 T537 E564 | L536-K556 HydrophobicContact CB-CB 4.44Å; L536-K556 HydrophobicContact CB-CG 4.47Å; L536-K556 HydrophobicContact CD1-CD 4.11Å; L536-K556 HydrophobicContact CD1-CG 4.22Å; L536-K556 PolarHBondContact N-O 2.77Å; T537-K556 PolarHBondContact N-O 2.79Å; T537-K556 PolarHBondContact O-N 2.97Å; T537-K556 WeakPolarHBondContact OG1-CB 3.16Å; K556-E564 CarbonylContact C-O 3.52Å; K556-E564 WeakPolarHBondContact CA-O 3.49Å |
| 557 | T | 79.9 | Confident | 73.6 | Confident | 36 Ų | 36 | 62 Ų | 62 | 22% | 0.221 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 151 | 179 | 60.6 | 0 | 0 | 0 | 0 | 110.2 | V534 L535 T555 S563 E564 | V534-T557 CarbonylContact O-C 3.58Å; V534-T557 WeakPolarHBondContact O-CA 3.4Å; L535-T557 HydrophobicContact CD1-CG2 4.01Å; T555-T557 HydrophobicContact CG2-CG2 4.16Å; T557-S563 CarbonylContact O-C 3.56Å; T557-S563 WeakPolarHBondContact O-CA 3.47Å; T557-E564 PolarHBondContact N-O 2.76Å; T557-E564 PolarHBondContact O-N 3.38Å |
| 558 | V | 71.4 | Confident | 74.5 | Confident | 39 Ų | 39 | 64.8 Ų | 64.8 | 24% | 0.236 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 119.5 | 171.9 | 172.6 | 0 | 0 | 0 | 0 | 109 | G533 V534 L536 I562 | G533-V558 CarbonylContact C-O 3.58Å; G533-V558 VanDerWaalsContact C-O 3.26Å; G533-V558 WeakPolarHBondContact CA-O 3.44Å; V534-V558 PolarHBondContact N-O 2.85Å; V534-V558 PolarHBondContact O-N 2.94Å; L536-V558 HydrophobicContact CD1-CG2 3.36Å; L536-V558 HydrophobicContact CD2-CG2 4.22Å; L536-V558 HydrophobicContact CG-CG2 3.77Å; V558-I562 WeakPolarHBondContact CA-O 3.48Å |
| 559 | K | 72.8 | Confident | 74.8 | Confident | 125 Ų | 125 | 66.8 Ų | 66.8 | 54% | 0.543 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 122.1 | 174.9 | -166.3 | 174 | -177.1 | 175 | 0 | 108.9 | G561 I562 | K559-G561 VanDerWaalsContact C-N 3.25Å; K559-G561 PolarHBondContact O-N 2.78Å; K559-I562 PolarHBondContact N-O 2.94Å; K559-I562 PolarHBondContact O-N 2.86Å; K559-I562 VanDerWaalsContact O-N 3.14Å |
| 560 | G | 67.4 | Low | 74.9 | Confident | 74 Ų | 74 | 72.5 Ų | 72.5 | 76% | 0.763 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.7 | 30.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | I562 | G560-I562 VanDerWaalsContact C-N 3.33Å; G560-I562 PolarHBondContact O-N 3.26Å |
| 561 | G | 64.3 | Low | 74.9 | Confident | 72 Ų | 72 | 74 Ų | 74 | 74% | 0.742 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.3 | -1.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | K559 | K559-G561 VanDerWaalsContact C-N 3.25Å; K559-G561 PolarHBondContact O-N 2.78Å |
| 562 | I | 57.8 | Low | 74.8 | Confident | 129 Ų | 129 | 75.7 Ų | 75.7 | 66% | 0.662 | 41% | 0.407 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 126.5 | 175.4 | -56.6 | 172.8 | 0 | 0 | 0 | 108.3 | V558 K559 G560 | V558-I562 WeakPolarHBondContact CA-O 3.48Å; K559-I562 PolarHBondContact N-O 2.94Å; K559-I562 PolarHBondContact O-N 2.86Å; K559-I562 VanDerWaalsContact O-N 3.14Å; G560-I562 VanDerWaalsContact C-N 3.33Å; G560-I562 PolarHBondContact O-N 3.26Å |
| 563 | S | 70.7 | Confident | 74.6 | Confident | 67 Ų | 67 | 77.4 Ų | 77.4 | 47% | 0.469 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 120.5 | 175.3 | 66.8 | 0 | 0 | 0 | 0 | 111 | T557 | T557-S563 CarbonylContact O-C 3.56Å; T557-S563 WeakPolarHBondContact O-CA 3.47Å |
| 564 | E | 76.6 | Confident | 74.1 | Confident | 117 Ų | 117 | 77.2 Ų | 77.2 | 55% | 0.547 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 127 | 174.5 | -174.4 | 178 | -179.6 | 0 | 0 | 109.7 | K556 T557 | K556-E564 CarbonylContact C-O 3.52Å; K556-E564 WeakPolarHBondContact CA-O 3.49Å; T557-E564 PolarHBondContact N-O 2.76Å; T557-E564 PolarHBondContact O-N 3.38Å |
| 565 | T | 79.1 | Confident | 73.1 | Confident | 67 Ų | 67 | 77.3 Ų | 77.3 | 41% | 0.411 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 120.3 | 173.8 | -55 | 0 | 0 | 0 | 0 | 108.9 | I554 T555 I567 | I554-T565 HydrophobicContact CG2-CG2 4.14Å; T555-T565 CarbonylContact O-C 3.56Å; T555-T565 WeakPolarHBondContact O-CA 3.37Å; T565-I567 HydrophobicContact CG2-CG1 4.45Å |
| 566 | R | 78.8 | Confident | 72.1 | Confident | 143 Ų | 143 | 82.2 Ų | 82.2 | 54% | 0.54 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 133.3 | 175.2 | -174.3 | 179.1 | 177.4 | 91.7 | 2.9 | 109.6 | I554 T555 | I554-R566 WeakPolarHBondContact CA-O 3.4Å; T555-R566 PolarHBondContact N-O 3.18Å; T555-R566 PolarHBondContact O-N 3.36Å |
| 567 | I | 77.8 | Confident | 71 | Confident | 40 Ų | 40 | 83.7 Ų | 83.7 | 21% | 0.205 | 48% | 0.48 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 122.8 | 173.6 | -56.5 | -172.1 | 0 | 0 | 0 | 108.3 | T552 Q553 I554 T565 H596 M599 | T552-I567 HydrophobicContact CG2-CG2 3.66Å; Q553-I567 CarbonylContact O-C 3.55Å; Q553-I567 WeakPolarHBondContact O-CA 3.37Å; I554-I567 HydrophobicContact CD1-CD1 4.49Å; I554-I567 HydrophobicContact CG1-CD1 4.31Å; I554-I567 HydrophobicContact CG1-CG1 4.13Å; I554-I567 HydrophobicContact CG1-CG2 4.28Å; I554-I567 HydrophobicContact CG2-CG1 4.21Å; T565-I567 HydrophobicContact CG2-CG1 4.45Å; I567-H596 VanDerWaalsContact CD1-CE1 3.42Å; I567-H596 WeakPolarHBondContact CD1-CE1 3.34Å; I567-H596 WeakPolarHBondContact CD1-NE2 3.29Å; I567-M599 HydrophobicContact CB-CE 4.06Å; I567-M599 HydrophobicContact CB-SD 4.33Å; I567-M599 HydrophobicContact CD1-CE 4.16Å; I567-M599 HydrophobicContact CD1-SD 3.39Å; I567-M599 WeakPolarHBondContact CD1-SD 3.39Å; I567-M599 HydrophobicContact CG1-CE 3.85Å; I567-M599 HydrophobicContact CG1-SD 3.79Å |
| 568 | E | 79.8 | Confident | 69.9 | Low | 95 Ų | 95 | 90 Ų | 90 | 44% | 0.444 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 116.7 | 173.6 | -176.5 | 165.4 | 173.5 | 0 | 0 | 109.1 | T552 Q553 | T552-E568 CarbonylContact C-O 3.59Å; T552-E568 WeakPolarHBondContact CA-O 3.44Å; Q553-E568 HydrophobicContact CB-CB 4.48Å; Q553-E568 PolarHBondContact N-O 2.82Å; Q553-E568 PolarHBondContact O-N 2.78Å |
| 569 | K | 75.2 | Confident | 69.6 | Low | 54 Ų | 54 | 90.6 Ų | 90.6 | 24% | 0.235 | 51% | 0.514 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 117.6 | -178.9 | -166.7 | 166.6 | -177.4 | -178.3 | 0 | 109.6 | T550 T551 I571 A592 | T550-K569 HydrophobicContact CG2-CD 4.27Å; T550-K569 HydrophobicContact CG2-CG 4.01Å; T551-K569 WeakPolarHBondContact O-CA 3.42Å; K569-I571 HydrophobicContact CG-CD1 4.48Å; K569-I571 HydrophobicContact CG-CG1 4.41Å; K569-A592 HydrophobicContact CD-CB 3.79Å |
| 570 | R | 78.9 | Confident | 69.5 | Low | 159 Ų | 159 | 88.5 Ų | 88.5 | 60% | 0.6 | 51% | 0.508 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 126.6 | 173.7 | 178.3 | -178 | -67.5 | -110.8 | 0.4 | 108.2 | T550 T551 V572 | T550-R570 CarbonylContact C-O 3.52Å; T550-R570 WeakPolarHBondContact CA-O 3.33Å; T551-R570 PolarHBondContact N-O 2.8Å; T551-R570 PolarHBondContact O-N 3.27Å; R570-V572 HydrophobicContact CG-CG2 4.19Å |
| 571 | I | 74.6 | Confident | 69.6 | Low | 51 Ų | 51 | 89.4 Ų | 89.4 | 26% | 0.262 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 122.3 | 174.3 | -60.5 | 144.1 | 0 | 0 | 0 | 106.5 | T550 K569 I573 A588 | T550-I571 HydrophobicContact CG2-CG1 3.96Å; K569-I571 HydrophobicContact CG-CD1 4.48Å; K569-I571 HydrophobicContact CG-CG1 4.41Å; I571-I573 HydrophobicContact CG2-CG1 4.11Å; I571-A588 HydrophobicContact CD1-CB 3.65Å; I571-A588 HydrophobicContact CG1-CB 4.37Å; I571-A588 HydrophobicContact CG2-CB 4.11Å |
| 572 | V | 75.4 | Confident | 69.9 | Low | 68 Ų | 68 | 87.9 Ų | 87.9 | 41% | 0.412 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 119.5 | 174.7 | -176.3 | 0 | 0 | 0 | 0 | 106.3 | S548 T549 R570 T574 | S548-V572 CarbonylContact C-O 3.59Å; S548-V572 WeakPolarHBondContact CA-O 3.48Å; S548-V572 WeakPolarHBondContact CB-O 3.39Å; T549-V572 PolarHBondContact N-O 3.39Å; T549-V572 PolarHBondContact O-N 3.19Å; R570-V572 HydrophobicContact CG-CG2 4.19Å; V572-T574 HydrophobicContact CG1-CG2 4.24Å |
| 573 | I | 72 | Confident | 70.6 | Confident | 46 Ų | 46 | 88.1 Ų | 88.1 | 24% | 0.236 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 116.5 | 177.9 | -57.8 | 166.1 | 0 | 0 | 0 | 106.3 | S547 I571 V584 L585 | S547-I573 WeakPolarHBondContact O-CA 3.42Å; I571-I573 HydrophobicContact CG2-CG1 4.11Å; I573-V584 HydrophobicContact CD1-CB 4.05Å; I573-V584 HydrophobicContact CD1-CG1 3.56Å; I573-V584 HydrophobicContact CG1-CG1 3.82Å; I573-V584 HydrophobicContact CG2-CG1 3.97Å; I573-L585 HydrophobicContact CD1-CB 4.49Å |
| 574 | T | 66.5 | Low | 70.6 | Confident | 89 Ų | 89 | 86.5 Ų | 86.5 | 55% | 0.546 | 45% | 0.453 | S | S | . | . | trans | -111.5 | 114.3 | 176.3 | 45.5 | 0 | 0 | 0 | 0 | 107.4 | S547 V572 | S547-T574 CarbonylContact C-O 3.57Å; S547-T574 PolarHBondContact O-N 2.82Å; S547-T574 VanDerWaalsContact O-O 3.13Å; V572-T574 HydrophobicContact CG1-CG2 4.24Å | ||
| 575 | G | 58.9 | Low | 70.2 | Confident | 34 Ų | 34 | 83.4 Ų | 83.4 | 35% | 0.351 | 44% | 0.44 | S | S | . | . | trans | -143.5 | 137.1 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 576 | D | 57.8 | Low | 69.8 | Low | 148 Ų | 148 | 83.7 Ų | 83.7 | 79% | 0.791 | 44% | 0.441 | S | S | * | . | trans | -73 | 166.3 | 163.4 | -64.4 | -25.1 | 0 | 0 | 0 | 110.2 | D578 I579 | D576-D578 PolarHBondContact O-N 2.76Å; D576-I579 PolarHBondContact O-N 3.11Å | ||
| 577 | A | 54.7 | Low | 69.4 | Low | 104 Ų | 104 | 81.1 Ų | 81.1 | 86% | 0.86 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | -3.6 | -160.6 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||
| 578 | D | 56.6 | Low | 69 | Low | 168 Ų | 168 | 79.8 Ų | 79.8 | 90% | 0.898 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.2 | 10.2 | -173.1 | -68.4 | -28.3 | 0 | 0 | 0 | 114.8 | D576 | D576-D578 PolarHBondContact O-N 2.76Š|
| 579 | I | 66.2 | Low | 68.3 | Low | 53 Ų | 53 | 77.7 Ų | 77.7 | 27% | 0.272 | 42% | 0.421 | S | S | . | . | trans | -93.9 | 129.2 | -179.5 | -55.4 | -171.6 | 0 | 0 | 0 | 111.9 | D576 H581 V584 | D576-I579 PolarHBondContact O-N 3.11Å; I579-H581 PolarHBondContact O-CE1 3.42Å; I579-H581 PolarHBondContact O-N 3.47Å; I579-H581 PolarHBondContact O-ND1 3.21Å; I579-V584 HydrophobicContact CG2-CG2 3.6Å | ||
| 580 | D | 71.1 | Confident | 68.3 | Low | 80 Ų | 80 | 80.5 Ų | 80.5 | 43% | 0.428 | 43% | 0.434 | S | S | . | . | trans | -74.5 | 92.7 | 168.4 | -175.2 | -17.3 | 0 | 0 | 0 | 109.8 | D582 Q583 V584 | D580-D582 PolarHBondContact O-N 3.06Å; D580-D582 PolarHBondContact OD1-N 2.91Å; D580-Q583 HydrophobicContact CB-CB 4.16Å; D580-Q583 HydrophobicContact CB-CG 4.43Å; D580-Q583 PolarHBondContact O-N 2.79Å; D580-Q583 PolarHBondContact OD1-N 2.97Å; D580-Q583 VanDerWaalsContact OD1-N 3.15Å; D580-Q583 WeakPolarHBondContact OD2-CG 3.47Å; D580-Q583 PolarHBondContact OD2-NE2 3.14Å; D580-V584 WeakPolarHBondContact O-CG2 3.46Å; D580-V584 PolarHBondContact O-N 2.83Å; D580-V584 VanDerWaalsContact O-N 3.1Å | ||
| 581 | H | 68.6 | Low | 67.8 | Low | 93 Ų | 93 | 76.9 Ų | 76.9 | 43% | 0.431 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -60.2 | -32.1 | -175.9 | -67.3 | 73.8 | 0 | 0 | 0 | 112.6 | I579 L585 | I579-H581 PolarHBondContact O-CE1 3.42Å; I579-H581 PolarHBondContact O-N 3.47Å; I579-H581 PolarHBondContact O-ND1 3.21Å; H581-L585 VanDerWaalsContact O-CB 3.31Å; H581-L585 WeakPolarHBondContact O-CB 3.48Å; H581-L585 PolarHBondContact O-N 2.81Å |
| 582 | D | 70.6 | Confident | 67.5 | Low | 41 Ų | 41 | 75.8 Ų | 75.8 | 22% | 0.219 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -71.2 | -41.3 | 179.4 | -79.3 | -6.1 | 0 | 0 | 0 | 110.5 | H432 D580 L585 V586 | H432-D582 IonicContact CE1-OD1 3.31Å; H432-D582 IonicContact CE1-OD2 2.64Å; H432-D582 PolarHBondContact CE1-OD2 3.18Å; H432-D582 IonicContact ND1-OD2 2.69Å; H432-D582 IonicContact NE2-OD2 2.78Å; D580-D582 PolarHBondContact O-N 3.06Å; D580-D582 PolarHBondContact OD1-N 2.91Å; D582-L585 PolarHBondContact O-N 3.08Å; D582-V586 WeakPolarHBondContact O-CB 3.37Å; D582-V586 WeakPolarHBondContact O-CG2 3.31Å; D582-V586 PolarHBondContact O-N 3.01Å |
| 583 | Q | 73.3 | Confident | 67.1 | Low | 134 Ų | 134 | 77.2 Ų | 77.2 | 63% | 0.626 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -64.8 | -42.6 | 174.2 | -81 | -170.9 | 53 | 0 | 0 | 112.7 | D580 L585 V586 Q587 | D580-Q583 HydrophobicContact CB-CB 4.16Å; D580-Q583 HydrophobicContact CB-CG 4.43Å; D580-Q583 PolarHBondContact O-N 2.79Å; D580-Q583 PolarHBondContact OD1-N 2.97Å; D580-Q583 VanDerWaalsContact OD1-N 3.15Å; D580-Q583 WeakPolarHBondContact OD2-CG 3.47Å; D580-Q583 PolarHBondContact OD2-NE2 3.14Å; Q583-L585 VanDerWaalsContact C-N 3.33Å; Q583-L585 PolarHBondContact O-N 3.47Å; Q583-V586 PolarHBondContact O-N 3.07Å; Q583-Q587 WeakPolarHBondContact O-CB 3.06Å; Q583-Q587 PolarHBondContact O-N 3.47Å |
| 584 | V | 69.2 | Low | 67.1 | Low | 33 Ų | 33 | 81.2 Ų | 81.2 | 20% | 0.2 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -64.1 | -41.4 | 178.6 | 180 | 0 | 0 | 0 | 0 | 110.7 | I573 I579 D580 Q587 A588 | I573-V584 HydrophobicContact CD1-CB 4.05Å; I573-V584 HydrophobicContact CD1-CG1 3.56Å; I573-V584 HydrophobicContact CG1-CG1 3.82Å; I573-V584 HydrophobicContact CG2-CG1 3.97Å; I579-V584 HydrophobicContact CG2-CG2 3.6Å; D580-V584 WeakPolarHBondContact O-CG2 3.46Å; D580-V584 PolarHBondContact O-N 2.83Å; D580-V584 VanDerWaalsContact O-N 3.1Å; V584-Q587 PolarHBondContact O-N 2.9Å; V584-A588 WeakPolarHBondContact O-CB 3.44Å; V584-A588 PolarHBondContact O-N 2.88Å |
| 585 | L | 68.3 | Low | 66.9 | Low | 52 Ų | 52 | 82.1 Ų | 82.1 | 27% | 0.272 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -64 | -44.5 | 176 | -179 | 62 | 0 | 0 | 0 | 112 | I573 H581 D582 Q583 Q587 A588 I589 V606 | I573-L585 HydrophobicContact CD1-CB 4.49Å; H581-L585 VanDerWaalsContact O-CB 3.31Å; H581-L585 WeakPolarHBondContact O-CB 3.48Å; H581-L585 PolarHBondContact O-N 2.81Å; D582-L585 PolarHBondContact O-N 3.08Å; Q583-L585 VanDerWaalsContact C-N 3.33Å; Q583-L585 PolarHBondContact O-N 3.47Å; L585-Q587 VanDerWaalsContact C-N 3.35Å; L585-Q587 PolarHBondContact O-N 3.2Å; L585-A588 PolarHBondContact O-N 2.88Å; L585-I589 HydrophobicContact CD1-CD1 4.03Å; L585-I589 HydrophobicContact CD1-CG1 4.34Å; L585-I589 HydrophobicContact CG-CD1 3.97Å; L585-I589 VanDerWaalsContact O-CG1 3.27Å; L585-I589 WeakPolarHBondContact O-CG1 3.39Å; L585-I589 PolarHBondContact O-N 3.47Å; L585-V606 HydrophobicContact CD2-CG2 4.42Å |
| 586 | V | 71.3 | Confident | 67.4 | Low | 72 Ų | 72 | 83.3 Ų | 83.3 | 44% | 0.436 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -60.5 | -45.5 | 177.1 | 167.2 | 0 | 0 | 0 | 0 | 111 | L439 D582 Q583 I589 K590 | L439-V586 HydrophobicContact CD2-CG2 4.1Å; D582-V586 WeakPolarHBondContact O-CB 3.37Å; D582-V586 WeakPolarHBondContact O-CG2 3.31Å; D582-V586 PolarHBondContact O-N 3.01Å; Q583-V586 PolarHBondContact O-N 3.07Å; V586-I589 PolarHBondContact O-N 3.36Å; V586-K590 WeakPolarHBondContact O-CB 3.35Å; V586-K590 PolarHBondContact O-N 3.1Å |
| 587 | Q | 71.6 | Confident | 67.8 | Low | 90 Ų | 90 | 80.9 Ų | 80.9 | 42% | 0.421 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -62.9 | -44.6 | 178.5 | -176.2 | 59.9 | 24.7 | 0 | 0 | 111.3 | Q583 V584 L585 I589 K590 E591 | Q583-Q587 WeakPolarHBondContact O-CB 3.06Å; Q583-Q587 PolarHBondContact O-N 3.47Å; V584-Q587 PolarHBondContact O-N 2.9Å; L585-Q587 VanDerWaalsContact C-N 3.35Å; L585-Q587 PolarHBondContact O-N 3.2Å; Q587-I589 PolarHBondContact O-N 3.43Å; Q587-K590 WeakPolarHBondContact O-CB 3.38Å; Q587-K590 PolarHBondContact O-N 3.49Å; Q587-E591 PolarHBondContact NE2-OE1 2.83Å; Q587-E591 WeakPolarHBondContact O-CG 3.33Å; Q587-E591 PolarHBondContact O-N 3Å |
| 588 | A | 67.7 | Low | 68.3 | Low | 11 Ų | 11 | 83.6 Ų | 83.6 | 9% | 0.091 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -66.8 | -35.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | I571 V584 L585 A592 | I571-A588 HydrophobicContact CD1-CB 3.65Å; I571-A588 HydrophobicContact CG1-CB 4.37Å; I571-A588 HydrophobicContact CG2-CB 4.11Å; V584-A588 WeakPolarHBondContact O-CB 3.44Å; V584-A588 PolarHBondContact O-N 2.88Å; L585-A588 PolarHBondContact O-N 2.88Å; A588-A592 WeakPolarHBondContact O-CB 3.49Å; A588-A592 PolarHBondContact O-N 2.94Å |
| 589 | I | 66.5 | Low | 68.9 | Low | 51 Ų | 51 | 79.4 Ų | 79.4 | 26% | 0.262 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -66.8 | -41.8 | 172.8 | -69.9 | 169.8 | 0 | 0 | 0 | 110.8 | F443 L585 V586 Q587 A592 K593 | F443-I589 HydrophobicContact CD2-CG2 3.96Å; F443-I589 HydrophobicContact CE2-CG2 3.34Å; F443-I589 HydrophobicContact CZ-CG2 4.1Å; L585-I589 HydrophobicContact CD1-CD1 4.03Å; L585-I589 HydrophobicContact CD1-CG1 4.34Å; L585-I589 HydrophobicContact CG-CD1 3.97Å; L585-I589 VanDerWaalsContact O-CG1 3.27Å; L585-I589 WeakPolarHBondContact O-CG1 3.39Å; L585-I589 PolarHBondContact O-N 3.47Å; V586-I589 PolarHBondContact O-N 3.36Å; Q587-I589 PolarHBondContact O-N 3.43Å; I589-A592 PolarHBondContact O-N 3.44Å; I589-K593 PolarHBondContact O-N 2.98Å |
| 590 | K | 73.9 | Confident | 68.8 | Low | 113 Ų | 113 | 81.8 Ų | 81.8 | 49% | 0.491 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -61.9 | -47.4 | 178.1 | -173 | -177.3 | 175.3 | -170.2 | 0 | 111.4 | V586 Q587 A592 K593 E594 | V586-K590 WeakPolarHBondContact O-CB 3.35Å; V586-K590 PolarHBondContact O-N 3.1Å; Q587-K590 WeakPolarHBondContact O-CB 3.38Å; Q587-K590 PolarHBondContact O-N 3.49Å; K590-A592 VanDerWaalsContact C-N 3.31Å; K590-A592 PolarHBondContact O-N 3.39Å; K590-K593 PolarHBondContact O-N 3.28Å; K590-K593 VanDerWaalsContact O-N 3.16Å; K590-E594 VanDerWaalsContact CE-OE1 3.29Å; K590-E594 WeakPolarHBondContact CE-OE1 3.36Å; K590-E594 PolarHBondContact O-N 2.85Å |
| 591 | E | 69.9 | Low | 68.5 | Low | 83 Ų | 83 | 82.3 Ų | 82.3 | 39% | 0.388 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -62 | -37.7 | 176.3 | -72.3 | 173.3 | -169.5 | 0 | 0 | 112.4 | Q587 E594 Q595 | Q587-E591 PolarHBondContact NE2-OE1 2.83Å; Q587-E591 WeakPolarHBondContact O-CG 3.33Å; Q587-E591 PolarHBondContact O-N 3Å; E591-E594 PolarHBondContact O-N 3.47Å; E591-Q595 VanDerWaalsContact O-CG 3.31Å; E591-Q595 WeakPolarHBondContact O-CG 3.4Å; E591-Q595 PolarHBondContact O-N 3.36Å; E591-Q595 VanDerWaalsContact O-N 3.11Å |
| 592 | A | 67.3 | Low | 68.3 | Low | 28 Ų | 28 | 83.7 Ų | 83.7 | 23% | 0.231 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -63.6 | -38.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | K569 A588 I589 K590 | K569-A592 HydrophobicContact CD-CB 3.79Å; A588-A592 WeakPolarHBondContact O-CB 3.49Å; A588-A592 PolarHBondContact O-N 2.94Å; I589-A592 PolarHBondContact O-N 3.44Å; K590-A592 VanDerWaalsContact C-N 3.31Å; K590-A592 PolarHBondContact O-N 3.39Å |
| 593 | K | 66.4 | Low | 67.9 | Low | 98 Ų | 98 | 89.5 Ų | 89.5 | 43% | 0.426 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -72.8 | -36.5 | 178 | -168.9 | 174.8 | 179.2 | 177.7 | 0 | 112 | S446 I589 K590 H596 P597 | S446-K593 PolarHBondContact O-NZ 3.28Å; I589-K593 PolarHBondContact O-N 2.98Å; K590-K593 PolarHBondContact O-N 3.28Å; K590-K593 VanDerWaalsContact O-N 3.16Å; K593-H596 CarbonylContact O-C 3.6Å; K593-H596 PolarHBondContact O-N 3.16Å; K593-P597 WeakPolarHBondContact O-CA 3.48Å |
| 594 | E | 73.5 | Confident | 67.3 | Low | 130 Ų | 130 | 87.1 Ų | 87.1 | 61% | 0.607 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -67.8 | -33.2 | 176.2 | -75.7 | 178.1 | -174.7 | 0 | 0 | 112.6 | K590 E591 H596 | K590-E594 VanDerWaalsContact CE-OE1 3.29Å; K590-E594 WeakPolarHBondContact CE-OE1 3.36Å; K590-E594 PolarHBondContact O-N 2.85Å; E591-E594 PolarHBondContact O-N 3.47Å; E594-H596 VanDerWaalsContact C-N 3.33Å |
| 595 | Q | 62.5 | Low | 66.9 | Low | 108 Ų | 108 | 89.4 Ų | 89.4 | 51% | 0.505 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -69.1 | -29.4 | 175.8 | -75.4 | 173.1 | -6.7 | 0 | 0 | 113.2 | E591 | E591-Q595 VanDerWaalsContact O-CG 3.31Å; E591-Q595 WeakPolarHBondContact O-CG 3.4Å; E591-Q595 PolarHBondContact O-N 3.36Å; E591-Q595 VanDerWaalsContact O-N 3.11Å |
| 596 | H | 67.6 | Low | 66.7 | Low | 60 Ų | 60 | 91.3 Ų | 91.3 | 28% | 0.278 | 49% | 0.49 | S | S | . | . | trans | -137.7 | 68.2 | -175.8 | -58.4 | -59.4 | 0 | 0 | 0 | 111.8 | I567 K593 E594 D598 M599 | I567-H596 VanDerWaalsContact CD1-CE1 3.42Å; I567-H596 WeakPolarHBondContact CD1-CE1 3.34Å; I567-H596 WeakPolarHBondContact CD1-NE2 3.29Å; K593-H596 CarbonylContact O-C 3.6Å; K593-H596 PolarHBondContact O-N 3.16Å; E594-H596 VanDerWaalsContact C-N 3.33Å; H596-D598 PolarHBondContact O-N 3.19Å; H596-M599 HydrophobicContact CB-CB 4.25Å; H596-M599 HydrophobicContact CB-CG 4.16Å; H596-M599 HydrophobicContact CB-SD 4.05Å; H596-M599 PolarHBondContact O-N 3.16Å | ||
| 597 | P | 67.1 | Low | 66.1 | Low | 96 Ų | 96 | 94.7 Ų | 94.7 | 62% | 0.623 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -23.5 | -172.5 | 26.1 | -35 | 0 | 0 | 0 | 113.8 | K593 | K593-P597 WeakPolarHBondContact O-CA 3.48Š|
| 598 | D | 66.2 | Low | 65.4 | Low | 161 Ų | 161 | 98.6 Ų | 98.6 | 86% | 0.861 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93 | 4.3 | -176.2 | -58.2 | -39.1 | 0 | 0 | 0 | 113.6 | H596 | H596-D598 PolarHBondContact O-N 3.19Š|
| 599 | M | 67.8 | Low | 64.7 | Low | 80 Ų | 80 | 106.7 Ų | 106.7 | 39% | 0.394 | 56% | 0.555 | S | S | . | * | trans | -103.1 | 139.2 | -178.3 | -69.3 | -169.4 | 66.3 | 0 | 0 | 112.7 | I567 H596 | I567-M599 HydrophobicContact CB-CE 4.06Å; I567-M599 HydrophobicContact CB-SD 4.33Å; I567-M599 HydrophobicContact CD1-CE 4.16Å; I567-M599 HydrophobicContact CD1-SD 3.39Å; I567-M599 WeakPolarHBondContact CD1-SD 3.39Å; I567-M599 HydrophobicContact CG1-CE 3.85Å; I567-M599 HydrophobicContact CG1-SD 3.79Å; H596-M599 HydrophobicContact CB-CB 4.25Å; H596-M599 HydrophobicContact CB-CG 4.16Å; H596-M599 HydrophobicContact CB-SD 4.05Å; H596-M599 PolarHBondContact O-N 3.16Å | ||
| 600 | S | 64.4 | Low | 63.9 | Low | 103 Ų | 103 | 109.7 Ų | 109.7 | 72% | 0.72 | 58% | 0.577 | S | S | * | * | trans | -89.1 | 132 | 173.3 | 62.4 | 0 | 0 | 0 | 0 | 111.1 | T602 | S600-T602 PolarHBondContact O-N 3.39Š| ||
| 601 | V | 64.8 | Low | 62.5 | Low | 91 Ų | 91 | 113.5 Ų | 113.5 | 55% | 0.552 | 60% | 0.596 | S | S | * | * | trans | -81.4 | 112.4 | 178.2 | 179.7 | 0 | 0 | 0 | 0 | 109 | F443 V604 | F443-V601 HydrophobicContact CE1-CG1 4.29Å; F443-V601 HydrophobicContact CZ-CB 4.44Å; F443-V601 HydrophobicContact CZ-CG1 4.32Å; F443-V601 HydrophobicContact CZ-CG2 4.26Å; V601-V604 HydrophobicContact CG1-CG2 3.68Å | ||
| 602 | T | 63.7 | Low | 61.1 | Low | 122 Ų | 122 | 115.1 Ų | 115.1 | 75% | 0.748 | 61% | 0.606 | S | S | * | * | trans | -90.3 | -21.6 | -176.5 | 59.3 | 0 | 0 | 0 | 0 | 113.7 | S600 | S600-T602 PolarHBondContact O-N 3.39Š| ||
| 603 | K | 62.3 | Low | 59.9 | Low | 164 Ų | 164 | 118.8 Ų | 118.8 | 71% | 0.713 | 63% | 0.63 | S | S | * | * | trans | -160.7 | 136.6 | -176.8 | -166.8 | -177.5 | -176.4 | -168.7 | 0 | 111.1 | V605 | K603-V605 HydrophobicContact CD-CG2 3.96Å; K603-V605 VanDerWaalsContact CE-CG2 3.43Å; K603-V605 HydrophobicContact CG-CG2 3.95Å | ||
| 604 | V | 61.9 | Low | 58.8 | Low | 83 Ų | 83 | 123.7 Ų | 123.7 | 50% | 0.503 | 65% | 0.654 | S | S | . | * | trans | -123.5 | 129.6 | 168.8 | -177.7 | 0 | 0 | 0 | 0 | 108.1 | F443 V601 V606 | F443-V604 HydrophobicContact CE1-CG2 4.07Å; F443-V604 HydrophobicContact CZ-CG2 4.5Å; V601-V604 HydrophobicContact CG1-CG2 3.68Å; V604-V606 HydrophobicContact CG1-CG2 4.35Å | ||
| 605 | V | 61.3 | Low | 57 | Low | 81 Ų | 81 | 130 Ų | 130 | 49% | 0.491 | 68% | 0.684 | S | S | . | * | trans | -129.3 | 124.1 | 177.1 | -165.4 | 0 | 0 | 0 | 0 | 108.3 | K603 H607 | K603-V605 HydrophobicContact CD-CG2 3.96Å; K603-V605 VanDerWaalsContact CE-CG2 3.43Å; K603-V605 HydrophobicContact CG-CG2 3.95Å; V605-H607 WeakPolarHBondContact CG1-CE1 3.42Å | ||
| 606 | V | 64 | Low | 56.7 | Low | 92 Ų | 92 | 131.2 Ų | 131.2 | 56% | 0.558 | 69% | 0.693 | S | S | * | * | trans | -114.2 | 123.6 | 177.6 | -176.5 | 0 | 0 | 0 | 0 | 107 | L585 V604 | L585-V606 HydrophobicContact CD2-CG2 4.42Å; V604-V606 HydrophobicContact CG1-CG2 4.35Å | ||
| 607 | H | 58.6 | Low | 56.2 | Low | 144 Ų | 144 | 134.9 Ų | 134.9 | 67% | 0.667 | 72% | 0.715 | S | S | * | * | trans | -115.1 | 129 | 172.3 | -57.7 | 96.2 | 0 | 0 | 0 | 107 | V605 | V605-H607 WeakPolarHBondContact CG1-CE1 3.42Š| ||
| 608 | Q | 56.8 | Low | 55.6 | Low | 172 Ų | 172 | 137.1 Ų | 137.1 | 80% | 0.804 | 72% | 0.72 | S | S | * | * | trans | -100.9 | 120.9 | 171.4 | -174.3 | 175.2 | 11.2 | 0 | 0 | 107 | ||||
| 609 | E | 52 | Low | 54.9 | Low | 180 Ų | 180 | 135.6 Ų | 135.6 | 84% | 0.841 | 71% | 0.712 | S | S | * | * | trans | -115.8 | 111.8 | 176.1 | -66.5 | 179.1 | -178.1 | 0 | 0 | 106.6 | ||||
| 610 | T | 49.4 | Very low | 54.1 | Low | 115 Ų | 115 | 139.1 Ų | 139.1 | 71% | 0.706 | 73% | 0.732 | S | S | * | * | trans | -94.9 | 114.5 | 171.2 | 29.1 | 0 | 0 | 0 | 0 | 108.1 | I612 | T610-I612 PolarHBondContact O-N 3.45Š| ||
| 611 | E | 45.3 | Very low | 53.4 | Low | 193 Ų | 193 | 141.5 Ų | 141.5 | 90% | 0.902 | 73% | 0.732 | S | S | * | * | trans | -73.2 | 120.9 | 172.4 | -156 | 169.9 | -154.9 | 0 | 0 | 108 | ||||
| 612 | I | 41.3 | Very low | 52.6 | Low | 117 Ų | 117 | 145.1 Ų | 145.1 | 60% | 0.6 | 75% | 0.745 | S | S | * | * | trans | -91.6 | 108.5 | 176.5 | -53.6 | 160.7 | 0 | 0 | 0 | 105.5 | L417 T610 E614 | L417-I612 HydrophobicContact CD1-CD1 3.79Å; L417-I612 HydrophobicContact CD2-CD1 4.42Å; T610-I612 PolarHBondContact O-N 3.45Å; I612-E614 PolarHBondContact O-N 2.71Å | ||
| 613 | S | 40.3 | Very low | 51.8 | Low | 105 Ų | 105 | 146.9 Ų | 146.9 | 73% | 0.734 | 75% | 0.745 | S | S | * | * | trans | -61.1 | 123.7 | 170.7 | -3.9 | 0 | 0 | 0 | 0 | 108.7 | E615 | S613-E615 PolarHBondContact O-N 3.35Å; S613-E615 VanDerWaalsContact O-N 3.1Å | ||
| 614 | E | 43.8 | Very low | 50.9 | Low | 200 Ų | 200 | 145.5 Ų | 145.5 | 94% | 0.935 | 75% | 0.748 | S | S | * | * | trans | -72.3 | 97.8 | 166.9 | -68.7 | -172.6 | 160.2 | 0 | 0 | 108.2 | I612 | I612-E614 PolarHBondContact O-N 2.71Š| ||
| 615 | E | 36.3 | Very low | 49.9 | Very low | 264 Ų | 264 | 151.2 Ų | 151.2 | 100% | 1.234 | 77% | 0.77 | S | S | * | * | trans | -93.6 | 0 | 159.5 | -99.7 | -168.3 | 163.4 | 0 | 0 | 111.5 | S613 | S613-E615 PolarHBondContact O-N 3.35Å; S613-E615 VanDerWaalsContact O-N 3.1Å |
Retrieved 615 of 615 residues in 600 ms
(Link to these results)