| 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 | 89.6 | Confident | 89.6 | Confident | 42 Ų | 42 | 29.2 Ų | 29.2 | 21% | 0.207 | 14% | 0.14 | C | C | . | . | 0 | 146.2 | 0 | -56.6 | 171.6 | 171.3 | 0 | 0 | 107.9 | Q13 L47 V48 W231 | M1-Q13 CarbonylContact C-O 3.59Å; M1-Q13 VanDerWaalsContact CA-O 3.3Å; M1-Q13 WeakPolarHBondContact CA-O 3.3Å; M1-Q13 WeakPolarHBondContact CB-O 3.46Å; M1-L47 WeakPolarHBondContact O-CA 3.35Å; M1-V48 WeakPolarHBondContact CA-O 3.24Å; M1-V48 HydrophobicContact CB-CG2 4.14Å; M1-V48 WeakPolarHBondContact CB-O 3.18Å; M1-V48 PolarHBondContact N-O 2.92Å; M1-V48 PolarHBondContact O-N 3.23Å; M1-W231 HydrophobicContact CE-CE3 4.24Å; M1-W231 HydrophobicContact CE-CZ3 4.05Å; M1-W231 HydrophobicContact CG-CZ3 4.49Å; M1-W231 HydrophobicContact SD-CE3 4.07Å; M1-W231 HydrophobicContact SD-CH2 4.27Å; M1-W231 HydrophobicContact SD-CZ3 3.49Å; M1-W231 WeakPolarHBondContact SD-CZ3 3.43Å | |||
| 2 | E | 91.3 | Very high | 89.9 | Confident | 27 Ų | 27 | 26.8 Ų | 26.8 | 13% | 0.126 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 128.9 | 178.2 | -75.1 | 162.7 | -134 | 0 | 0 | 108.9 | F4 L12 Q13 L47 C108 K110 H111 | E2-F4 HydrophobicContact CB-CE2 3.76Å; E2-F4 HydrophobicContact CB-CZ 4.19Å; E2-L12 CarbonylContact O-C 3.56Å; E2-L12 WeakPolarHBondContact O-CA 3.44Å; E2-Q13 HydrophobicContact CB-CB 4.46Å; E2-Q13 PolarHBondContact N-O 3.44Å; E2-Q13 PolarHBondContact O-N 3.04Å; E2-L47 HydrophobicContact CB-CD2 4.5Å; E2-L47 HydrophobicContact CG-CD2 3.56Å; E2-C108 VanDerWaalsContact CD-SG 3.59Å; E2-K110 VanDerWaalsContact OE1-CE 3.26Å; E2-K110 WeakPolarHBondContact OE1-CE 3.33Å; E2-K110 IonicContact OE1-NZ 2.79Å; E2-K110 PolarHBondContact OE1-NZ 2.97Å; E2-K110 IonicContact OE2-NZ 3.19Å; E2-K110 PolarHBondContact OE2-NZ 2.65Å; E2-H111 IonicContact OE2-CE1 2.69Å; E2-H111 PolarHBondContact OE2-CE1 2.9Å; E2-H111 VanDerWaalsContact OE2-CE1 3.27Å; E2-H111 IonicContact OE2-ND1 3.31Å |
| 3 | L | 92.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 133 | 179 | 178.3 | 68.8 | 0 | 0 | 0 | 109.8 | L12 M45 G46 V48 L68 I93 L105 | L3-L12 HydrophobicContact CD1-CD1 3.71Å; L3-L12 HydrophobicContact CD1-CG 3.76Å; L3-M45 HydrophobicContact CB-CB 4.44Å; L3-M45 HydrophobicContact CD1-SD 4.42Å; L3-M45 HydrophobicContact CD2-CB 4.05Å; L3-M45 HydrophobicContact CD2-CE 4.1Å; L3-M45 HydrophobicContact CD2-CG 4.43Å; L3-M45 HydrophobicContact CD2-SD 3.56Å; L3-M45 VanDerWaalsContact CD2-SD 3.56Å; L3-M45 HydrophobicContact CG-CB 4.15Å; L3-M45 HydrophobicContact CG-CG 4.35Å; L3-M45 HydrophobicContact CG-SD 3.64Å; L3-M45 PolarHBondContact O-N 3.44Å; L3-G46 PolarHBondContact N-O 3.38Å; L3-V48 HydrophobicContact CB-CG1 4.43Å; L3-V48 HydrophobicContact CB-CG2 4.29Å; L3-V48 HydrophobicContact CD2-CG1 4.29Å; L3-L68 HydrophobicContact CD1-CD1 4.21Å; L3-L68 HydrophobicContact CD2-CD1 4Å; L3-I93 HydrophobicContact CD2-CD1 3.62Å; L3-L105 HydrophobicContact CD2-CD1 3.76Å |
| 4 | F | 90.2 | Very high | 90.1 | Very high | 6 Ų | 6 | 28.1 Ų | 28.1 | 3% | 0.026 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 146.3 | 174.3 | -55.4 | -97.4 | 0 | 0 | 0 | 110.9 | E2 Y10 I11 Q13 L36 P42 V43 C44 H111 | E2-F4 HydrophobicContact CB-CE2 3.76Å; E2-F4 HydrophobicContact CB-CZ 4.19Å; F4-Y10 WeakPolarHBondContact O-CA 3.47Å; F4-I11 HydrophobicContact CB-CB 4.42Å; F4-I11 PolarHBondContact N-O 3Å; F4-I11 PolarHBondContact O-N 3.01Å; F4-Q13 HydrophobicContact CE2-CB 4.04Å; F4-L36 HydrophobicContact CB-CD1 4.4Å; F4-L36 HydrophobicContact CD1-CD2 4.39Å; F4-L36 HydrophobicContact CD2-CD1 4.23Å; F4-L36 HydrophobicContact CD2-CD2 4.22Å; F4-L36 HydrophobicContact CE1-CD2 4.04Å; F4-L36 HydrophobicContact CE2-CD2 3.85Å; F4-L36 HydrophobicContact CG-CD1 4.17Å; F4-L36 HydrophobicContact CG-CD2 4.47Å; F4-L36 HydrophobicContact CZ-CD2 3.75Å; F4-P42 HydrophobicContact CB-CB 4.35Å; F4-P42 HydrophobicContact CD1-CB 4.49Å; F4-V43 CarbonylContact C-O 3.51Å; F4-V43 WeakPolarHBondContact CA-O 3.5Å; F4-C44 HydrophobicContact CD1-CB 3.82Å; F4-C44 HydrophobicContact CE1-CB 3.75Å; F4-H111 AromaticContact CE1-CE1 3.8Å; F4-H111 AromaticContact CE1-ND1 3.85Å; F4-H111 AromaticContact CZ-CE1 3.59Å; F4-H111 AromaticContact CZ-ND1 3.91Å |
| 5 | Q | 89.4 | Confident | 89.9 | Confident | 33 Ų | 33 | 29.9 Ų | 29.9 | 15% | 0.154 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 118.4 | 166.6 | 177.5 | 176 | -6.6 | 0 | 0 | 108.7 | Y10 P42 V43 M45 P100 | Q5-Y10 HydrophobicContact CB-CD1 3.99Å; Q5-Y10 HydrophobicContact CB-CE1 3.99Å; Q5-Y10 HydrophobicContact CG-CD1 4.09Å; Q5-Y10 HydrophobicContact CG-CE1 3.73Å; Q5-P42 WeakPolarHBondContact O-CA 3.41Å; Q5-V43 PolarHBondContact N-O 3.39Å; Q5-V43 PolarHBondContact O-N 3.49Å; Q5-M45 HydrophobicContact CB-CG 4.06Å; Q5-M45 HydrophobicContact CB-SD 3.69Å; Q5-P100 VanDerWaalsContact OE1-CD 3.23Å |
| 6 | A | 87.9 | Confident | 89.8 | Confident | 5 Ų | 5 | 37.1 Ų | 37.1 | 4% | 0.041 | 21% | 0.206 | C | C | . | . | trans | -96.7 | 177.1 | 164 | 0 | 0 | 0 | 0 | 0 | 109.6 | D8 D9 I11 R23 A39 | A6-D8 PolarHBondContact O-N 3.25Å; A6-D9 WeakPolarHBondContact CA-O 3.21Å; A6-D9 WeakPolarHBondContact CB-O 3.38Å; A6-D9 PolarHBondContact N-O 3.09Å; A6-I11 HydrophobicContact CB-CD1 4.19Å; A6-R23 PolarHBondContact O-NH1 3.08Å; A6-A39 HydrophobicContact CB-CB 4.07Å | ||
| 7 | K | 83.9 | Confident | 89.8 | Confident | 128 Ų | 128 | 38.5 Ų | 38.5 | 56% | 0.557 | 21% | 0.21 | S | C | * | . | S | Bend | trans | -55.1 | -53.5 | 175.8 | -177.6 | -174.1 | 168 | -161.5 | 0 | 112.4 | R23 W40 | K7-R23 PolarHBondContact O-NH1 3.47Å; K7-W40 HydrophobicContact CB-CB 4.39Å; K7-W40 PolarHBondContact N-O 3.35Å |
| 8 | D | 86.8 | Confident | 90 | Very high | 48 Ų | 48 | 36.4 Ų | 36.4 | 26% | 0.257 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -105.6 | -10.4 | -169.4 | -59.3 | -90.1 | 0 | 0 | 0 | 113.7 | A6 S22 R23 K24 | A6-D8 PolarHBondContact O-N 3.25Å; D8-S22 PolarHBondContact O-OG 3.34Å; D8-R23 WeakPolarHBondContact O-CB 3.48Å; D8-R23 PolarHBondContact O-N 3.31Å; D8-K24 WeakPolarHBondContact OD1-CE 3.36Å; D8-K24 IonicContact OD1-NZ 2.74Å; D8-K24 PolarHBondContact OD1-NZ 3.38Å |
| 9 | D | 90.4 | Very high | 90.1 | Very high | 32 Ų | 32 | 34.5 Ų | 34.5 | 17% | 0.171 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 150.1 | -173 | -59.6 | -69 | 0 | 0 | 0 | 112.5 | A6 I11 W20 S22 | A6-D9 WeakPolarHBondContact CA-O 3.21Å; A6-D9 WeakPolarHBondContact CB-O 3.38Å; A6-D9 PolarHBondContact N-O 3.09Å; D9-I11 HydrophobicContact CB-CG1 4.23Å; D9-W20 HydrophobicContact CB-CE3 3.93Å; D9-W20 HydrophobicContact CB-CZ3 4.48Å; D9-S22 VanDerWaalsContact OD1-CA 3.3Å; D9-S22 WeakPolarHBondContact OD1-CA 3.23Å |
| 10 | Y | 91.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 136.8 | 155.6 | -64.3 | -70.5 | 0 | 0 | 0 | 109.1 | F4 Q5 C21 R23 M45 I93 P94 L95 | F4-Y10 WeakPolarHBondContact O-CA 3.47Å; Q5-Y10 HydrophobicContact CB-CD1 3.99Å; Q5-Y10 HydrophobicContact CB-CE1 3.99Å; Q5-Y10 HydrophobicContact CG-CD1 4.09Å; Q5-Y10 HydrophobicContact CG-CE1 3.73Å; Y10-C21 PolarHBondContact N-O 3.02Å; Y10-C21 PolarHBondContact O-N 3.09Å; Y10-R23 HydrophobicContact CD2-CG 3.68Å; Y10-R23 HydrophobicContact CE2-CG 3.6Å; Y10-R23 HydrophobicContact CG-CG 4.31Å; Y10-M45 HydrophobicContact CD1-SD 4.05Å; Y10-M45 HydrophobicContact CE1-CE 4.3Å; Y10-M45 HydrophobicContact CE1-SD 4.2Å; Y10-I93 HydrophobicContact CD1-CG2 4.45Å; Y10-I93 HydrophobicContact CD2-CG2 4.34Å; Y10-I93 HydrophobicContact CE1-CG2 3.8Å; Y10-I93 HydrophobicContact CE2-CG2 3.65Å; Y10-I93 WeakPolarHBondContact OH-CG2 3.45Å; Y10-P94 WeakPolarHBondContact CE2-O 3.34Å; Y10-P94 PolarHBondContact OH-O 2.98Å; Y10-P94 VanDerWaalsContact OH-O 3.07Å; Y10-L95 HydrophobicContact CD2-CD2 3.49Å; Y10-L95 VanDerWaalsContact CD2-CD2 3.49Å; Y10-L95 HydrophobicContact CE2-CD2 3.63Å |
| 11 | I | 92.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 121.3 | -173.3 | -50.8 | 170 | 0 | 0 | 0 | 108.8 | F4 A6 D9 A18 L19 W20 L36 A39 | F4-I11 HydrophobicContact CB-CB 4.42Å; F4-I11 PolarHBondContact N-O 3Å; F4-I11 PolarHBondContact O-N 3.01Å; A6-I11 HydrophobicContact CB-CD1 4.19Å; D9-I11 HydrophobicContact CB-CG1 4.23Å; I11-A18 HydrophobicContact CG2-CB 4.01Å; I11-L19 WeakPolarHBondContact CA-O 3.44Å; I11-W20 HydrophobicContact CD1-CD2 3.92Å; I11-W20 HydrophobicContact CD1-CE3 3.75Å; I11-W20 HydrophobicContact CD1-CH2 3.68Å; I11-W20 HydrophobicContact CD1-CZ2 3.82Å; I11-W20 HydrophobicContact CD1-CZ3 3.63Å; I11-W20 HydrophobicContact CG1-CD2 3.83Å; I11-W20 HydrophobicContact CG1-CE3 3.88Å; I11-W20 HydrophobicContact CG1-CG 4.28Å; I11-W20 HydrophobicContact CG1-CZ3 4.28Å; I11-W20 HydrophobicContact CG2-CD2 4.37Å; I11-W20 HydrophobicContact CG2-CG 4.36Å; I11-L36 HydrophobicContact CB-CD1 4.45Å; I11-L36 HydrophobicContact CD1-CD1 3.8Å; I11-L36 HydrophobicContact CG2-CD1 4.22Å; I11-A39 HydrophobicContact CD1-CB 3.7Å |
| 12 | L | 93.1 | Very high | 90.3 | Very high | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 120.9 | 172.5 | -70.7 | 82.6 | 0 | 0 | 0 | 109.1 | E2 L3 A18 L19 V48 V51 L66 L68 W231 | E2-L12 CarbonylContact O-C 3.56Å; E2-L12 WeakPolarHBondContact O-CA 3.44Å; L3-L12 HydrophobicContact CD1-CD1 3.71Å; L3-L12 HydrophobicContact CD1-CG 3.76Å; L12-A18 CarbonylContact O-C 3.55Å; L12-A18 WeakPolarHBondContact O-CA 3.17Å; L12-L19 PolarHBondContact N-O 3.42Å; L12-L19 PolarHBondContact O-N 3.48Å; L12-V48 HydrophobicContact CD2-CG2 3.84Å; L12-V48 HydrophobicContact CG-CG2 4.48Å; L12-V51 HydrophobicContact CD2-CG2 3.68Å; L12-L66 HydrophobicContact CD1-CD2 4.44Å; L12-L68 HydrophobicContact CD2-CD1 4.37Å; L12-L68 HydrophobicContact CD2-CD2 3.91Å; L12-W231 HydrophobicContact CB-CH2 3.9Å; L12-W231 HydrophobicContact CB-CZ3 3.6Å; L12-W231 HydrophobicContact CD2-CZ3 4.22Å; L12-W231 WeakPolarHBondContact O-CH2 3.4Å |
| 13 | Q | 91.7 | Very high | 90.2 | Very high | 38 Ų | 38 | 29.7 Ų | 29.7 | 18% | 0.178 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 136.7 | 175.6 | -170.7 | -176.1 | -11.5 | 0 | 0 | 111.5 | M1 E2 F4 G15 A33 | M1-Q13 CarbonylContact C-O 3.59Å; M1-Q13 VanDerWaalsContact CA-O 3.3Å; M1-Q13 WeakPolarHBondContact CA-O 3.3Å; M1-Q13 WeakPolarHBondContact CB-O 3.46Å; E2-Q13 HydrophobicContact CB-CB 4.46Å; E2-Q13 PolarHBondContact N-O 3.44Å; E2-Q13 PolarHBondContact O-N 3.04Å; F4-Q13 HydrophobicContact CE2-CB 4.04Å; Q13-G15 PolarHBondContact NE2-O 3.35Å; Q13-A33 HydrophobicContact CG-CB 3.91Å |
| 14 | S | 90.4 | Very high | 89.7 | Confident | 34 Ų | 34 | 35.8 Ų | 35.8 | 24% | 0.238 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 94 | 174.7 | -166.4 | 0 | 0 | 0 | 0 | 109.9 | D16 Q17 | S14-D16 PolarHBondContact O-N 3.2Å; S14-Q17 PolarHBondContact N-O 3.07Å; S14-Q17 PolarHBondContact O-N 3.34Å |
| 15 | G | 87.4 | Confident | 89.4 | Confident | 54 Ų | 54 | 40.3 Ų | 40.3 | 56% | 0.557 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.7 | -126.4 | -170.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q13 Q17 A33 | Q13-G15 PolarHBondContact NE2-O 3.35Å; G15-Q17 VanDerWaalsContact C-N 3.33Å; G15-A33 WeakPolarHBondContact O-CB 3.43Å |
| 16 | D | 87.6 | Confident | 89.1 | Confident | 146 Ų | 146 | 38.7 Ų | 38.7 | 78% | 0.781 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | 0.3 | -177 | -53 | -43.2 | 0 | 0 | 0 | 113.6 | S14 A33 | S14-D16 PolarHBondContact O-N 3.2Å; D16-A33 VanDerWaalsContact C-CB 3.48Å; D16-A33 WeakPolarHBondContact O-CB 3.32Å; D16-A33 PolarHBondContact O-N 3.42Å |
| 17 | Q | 90.8 | Very high | 89.1 | Confident | 60 Ų | 60 | 41.4 Ų | 41.4 | 28% | 0.28 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 145.8 | 176.3 | -68.6 | 179.9 | -9 | 0 | 0 | 111.7 | S14 G15 E227 L230 W231 | S14-Q17 PolarHBondContact N-O 3.07Å; S14-Q17 PolarHBondContact O-N 3.34Å; G15-Q17 VanDerWaalsContact C-N 3.33Å; Q17-E227 PolarHBondContact OE1-O 3.04Å; Q17-L230 HydrophobicContact CB-CD2 4.44Å; Q17-L230 VanDerWaalsContact OE1-CD2 3.31Å; Q17-W231 HydrophobicContact CB-CZ2 4.45Å |
| 18 | A | 92.5 | Very high | 89.5 | Confident | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.008 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 128.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | I11 L12 V30 R31 | I11-A18 HydrophobicContact CG2-CB 4.01Å; L12-A18 CarbonylContact O-C 3.55Å; L12-A18 WeakPolarHBondContact O-CA 3.17Å; A18-V30 WeakPolarHBondContact O-CA 3.5Å; A18-R31 PolarHBondContact N-O 2.88Å; A18-R31 PolarHBondContact O-N 2.66Å; A18-R31 VanDerWaalsContact O-O 3.14Å |
| 19 | L | 92.9 | Very high | 89.7 | Confident | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 119 | 168.9 | 173 | 63.9 | 0 | 0 | 0 | 109.4 | I11 L12 M28 V30 V51 L220 W231 | I11-L19 WeakPolarHBondContact CA-O 3.44Å; L12-L19 PolarHBondContact N-O 3.42Å; L12-L19 PolarHBondContact O-N 3.48Å; L19-M28 HydrophobicContact CD1-CB 4.27Å; L19-V30 HydrophobicContact CD1-CG2 4.05Å; L19-V51 HydrophobicContact CD2-CG2 4.03Å; L19-L220 HydrophobicContact CD1-CD2 3.66Å; L19-L220 HydrophobicContact CD2-CD1 4.42Å; L19-L220 HydrophobicContact CD2-CD2 4.23Å; L19-W231 HydrophobicContact CB-CD2 3.68Å; L19-W231 HydrophobicContact CB-CE3 3.82Å; L19-W231 HydrophobicContact CB-CG 4.28Å; L19-W231 HydrophobicContact CB-CH2 4.06Å; L19-W231 HydrophobicContact CB-CZ2 3.92Å; L19-W231 HydrophobicContact CB-CZ3 4Å; L19-W231 HydrophobicContact CD2-CB 4.32Å; L19-W231 HydrophobicContact CD2-CD2 4.03Å; L19-W231 HydrophobicContact CD2-CE3 3.88Å; L19-W231 HydrophobicContact CD2-CG 4.2Å; L19-W231 HydrophobicContact CG-CD2 4.45Å |
| 20 | W | 92.3 | Very high | 89.7 | Confident | 9 Ų | 9 | 35.3 Ų | 35.3 | 3% | 0.034 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 137.2 | 173.8 | -64.8 | 60 | 0 | 0 | 0 | 109.1 | D9 I11 M28 A29 R31 D35 A39 | D9-W20 HydrophobicContact CB-CE3 3.93Å; D9-W20 HydrophobicContact CB-CZ3 4.48Å; I11-W20 HydrophobicContact CD1-CD2 3.92Å; I11-W20 HydrophobicContact CD1-CE3 3.75Å; I11-W20 HydrophobicContact CD1-CH2 3.68Å; I11-W20 HydrophobicContact CD1-CZ2 3.82Å; I11-W20 HydrophobicContact CD1-CZ3 3.63Å; I11-W20 HydrophobicContact CG1-CD2 3.83Å; I11-W20 HydrophobicContact CG1-CE3 3.88Å; I11-W20 HydrophobicContact CG1-CG 4.28Å; I11-W20 HydrophobicContact CG1-CZ3 4.28Å; I11-W20 HydrophobicContact CG2-CD2 4.37Å; I11-W20 HydrophobicContact CG2-CG 4.36Å; W20-M28 VanDerWaalsContact O-CA 3.31Å; W20-M28 WeakPolarHBondContact O-CA 3.3Å; W20-A29 PolarHBondContact N-O 3.1Å; W20-A29 PolarHBondContact O-N 3.3Å; W20-R31 VanDerWaalsContact CD2-NH1 3.34Å; W20-R31 VanDerWaalsContact CZ3-NH1 3.26Å; W20-D35 HydrophobicContact CZ2-CB 3.95Å; W20-D35 WeakPolarHBondContact CZ2-O 3.32Å; W20-A39 HydrophobicContact CH2-CB 3.85Å; W20-A39 HydrophobicContact CZ3-CB 4.31Å |
| 21 | C | 92 | Very high | 89.6 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 112.9 | 178 | -176.5 | 0 | 0 | 0 | 0 | 109 | Y10 S27 M28 L66 | Y10-C21 PolarHBondContact N-O 3.02Å; Y10-C21 PolarHBondContact O-N 3.09Å; C21-S27 CarbonylContact C-O 3.58Å; C21-S27 WeakPolarHBondContact CA-O 3.38Å; C21-M28 HydrophobicContact CB-CE 4.23Å; C21-M28 HydrophobicContact CB-CG 4.18Å; C21-M28 VanDerWaalsContact SG-CE 3.57Å; C21-L66 HydrophobicContact CB-CD2 4.33Å |
| 22 | S | 89.8 | Confident | 89.5 | Confident | 15 Ų | 15 | 43.2 Ų | 43.2 | 11% | 0.105 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 139.5 | -173.1 | -171.7 | 0 | 0 | 0 | 0 | 112.5 | D8 D9 K24 D25 G26 S27 | D8-S22 PolarHBondContact O-OG 3.34Å; D9-S22 VanDerWaalsContact OD1-CA 3.3Å; D9-S22 WeakPolarHBondContact OD1-CA 3.23Å; S22-K24 PolarHBondContact O-N 3.12Å; S22-K24 PolarHBondContact OG-N 3.29Å; S22-D25 WeakPolarHBondContact CB-OD1 3.49Å; S22-G26 VanDerWaalsContact O-CA 3.25Å; S22-G26 WeakPolarHBondContact O-CA 3.48Å; S22-G26 PolarHBondContact O-N 3.1Å; S22-G26 VanDerWaalsContact O-N 3.16Å; S22-S27 WeakPolarHBondContact CB-OG 3.45Å; S22-S27 PolarHBondContact N-O 3.26Å |
| 23 | R | 88.1 | Confident | 89.2 | Confident | 13 Ų | 13 | 43.8 Ų | 43.8 | 5% | 0.049 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -5.2 | 177.9 | -65 | 178.3 | 63.2 | -161.5 | -1.3 | 113.6 | A6 K7 D8 Y10 L95 S96 D97 E98 | A6-R23 PolarHBondContact O-NH1 3.08Å; K7-R23 PolarHBondContact O-NH1 3.47Å; D8-R23 WeakPolarHBondContact O-CB 3.48Å; D8-R23 PolarHBondContact O-N 3.31Å; Y10-R23 HydrophobicContact CD2-CG 3.68Å; Y10-R23 HydrophobicContact CE2-CG 3.6Å; Y10-R23 HydrophobicContact CG-CG 4.31Å; R23-L95 CarbonylContact O-C 3.58Å; R23-S96 VanDerWaalsContact CZ-O 3.27Å; R23-S96 PolarHBondContact NE-O 3.02Å; R23-S96 PolarHBondContact NH2-O 3.47Å; R23-S96 PolarHBondContact O-N 3.43Å; R23-D97 PolarHBondContact NH2-O 3.49Å; R23-E98 PolarHBondContact NH2-O 3.48Å |
| 24 | K | 82.6 | Confident | 89 | Confident | 127 Ų | 127 | 46.7 Ų | 46.7 | 55% | 0.552 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.8 | -47.3 | -171.9 | -67.4 | 176.9 | -175.6 | 168.4 | 0 | 114.5 | D8 S22 | D8-K24 WeakPolarHBondContact OD1-CE 3.36Å; D8-K24 IonicContact OD1-NZ 2.74Å; D8-K24 PolarHBondContact OD1-NZ 3.38Å; S22-K24 PolarHBondContact O-N 3.12Å; S22-K24 PolarHBondContact OG-N 3.29Å |
| 25 | D | 82.9 | Confident | 88.9 | Confident | 101 Ų | 101 | 46.9 Ų | 46.9 | 54% | 0.54 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.8 | -6.6 | 179 | 64.6 | 1.2 | 0 | 0 | 0 | 113.1 | S22 S27 L64 | S22-D25 WeakPolarHBondContact CB-OD1 3.49Å; D25-S27 PolarHBondContact O-N 3.35Å; D25-S27 WeakPolarHBondContact OD1-CB 3.44Å; D25-S27 PolarHBondContact OD1-N 3.47Å; D25-S27 PolarHBondContact OD1-OG 3.12Å; D25-S27 PolarHBondContact OD2-OG 3.16Å; D25-L64 WeakPolarHBondContact O-CD1 3.36Å |
| 26 | G | 84.6 | Confident | 88.8 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 25% | 0.248 | C | C | . | . | trans | 65.2 | 18.3 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | S22 K54 | S22-G26 VanDerWaalsContact O-CA 3.25Å; S22-G26 WeakPolarHBondContact O-CA 3.48Å; S22-G26 PolarHBondContact O-N 3.1Å; S22-G26 VanDerWaalsContact O-N 3.16Å; G26-K54 WeakPolarHBondContact O-CD 3.43Å; G26-K54 WeakPolarHBondContact O-CE 3.43Å; G26-K54 PolarHBondContact O-NZ 2.61Å | ||
| 27 | S | 88.1 | Confident | 88.6 | Confident | 62 Ų | 62 | 46.4 Ų | 46.4 | 43% | 0.434 | 25% | 0.251 | S | S | . | . | trans | -55.9 | 142.9 | 168.5 | 57.3 | 0 | 0 | 0 | 0 | 110.3 | C21 S22 D25 | C21-S27 CarbonylContact C-O 3.58Å; C21-S27 WeakPolarHBondContact CA-O 3.38Å; S22-S27 WeakPolarHBondContact CB-OG 3.45Å; S22-S27 PolarHBondContact N-O 3.26Å; D25-S27 PolarHBondContact O-N 3.35Å; D25-S27 WeakPolarHBondContact OD1-CB 3.44Å; D25-S27 PolarHBondContact OD1-N 3.47Å; D25-S27 PolarHBondContact OD1-OG 3.12Å; D25-S27 PolarHBondContact OD2-OG 3.16Å | ||
| 28 | M | 90.9 | Very high | 88.2 | Confident | 16 Ų | 16 | 50.1 Ų | 50.1 | 8% | 0.079 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 137.4 | -177.7 | -77.4 | 177.3 | 163.6 | 0 | 0 | 109.9 | L19 W20 C21 K54 L66 L220 | L19-M28 HydrophobicContact CD1-CB 4.27Å; W20-M28 VanDerWaalsContact O-CA 3.31Å; W20-M28 WeakPolarHBondContact O-CA 3.3Å; C21-M28 HydrophobicContact CB-CE 4.23Å; C21-M28 HydrophobicContact CB-CG 4.18Å; C21-M28 VanDerWaalsContact SG-CE 3.57Å; M28-K54 HydrophobicContact CE-CD 4.03Å; M28-K54 HydrophobicContact CE-CG 3.77Å; M28-K54 HydrophobicContact SD-CD 4.5Å; M28-L66 HydrophobicContact CE-CD1 3.57Å; M28-L220 HydrophobicContact CB-CD2 3.83Å; M28-L220 HydrophobicContact CG-CD2 4.29Å; M28-L220 HydrophobicContact SD-CD1 4.21Å; M28-L220 HydrophobicContact SD-CD2 3.67Å; M28-L220 HydrophobicContact SD-CG 3.72Å |
| 29 | A | 90.7 | Very high | 87.8 | Confident | 35 Ų | 35 | 50.8 Ų | 50.8 | 29% | 0.289 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 136.5 | 178 | 0 | 0 | 0 | 0 | 0 | 110.4 | W20 | W20-A29 PolarHBondContact N-O 3.1Å; W20-A29 PolarHBondContact O-N 3.3Å |
| 30 | V | 91 | Very high | 87.3 | Confident | 29 Ų | 29 | 60 Ų | 60 | 18% | 0.176 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 137.5 | 171.7 | -170.4 | 0 | 0 | 0 | 0 | 109.2 | A18 L19 E227 V228 | A18-V30 WeakPolarHBondContact O-CA 3.5Å; L19-V30 HydrophobicContact CD1-CG2 4.05Å; V30-E227 HydrophobicContact CB-CB 4.14Å; V30-E227 HydrophobicContact CG1-CB 3.58Å; V30-V228 HydrophobicContact CG2-CG2 3.73Å |
| 31 | R | 90.3 | Very high | 86.8 | Confident | 95 Ų | 95 | 65.3 Ų | 65.3 | 36% | 0.358 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 164 | 178.6 | -61 | -170.7 | -170.6 | 149.5 | 6.1 | 110.5 | A18 W20 D35 | A18-R31 PolarHBondContact N-O 2.88Å; A18-R31 PolarHBondContact O-N 2.66Å; A18-R31 VanDerWaalsContact O-O 3.14Å; W20-R31 VanDerWaalsContact CD2-NH1 3.34Å; W20-R31 VanDerWaalsContact CZ3-NH1 3.26Å; R31-D35 HydrophobicContact CB-CB 4.3Å |
| 32 | P | 89.3 | Confident | 86.5 | Confident | 71 Ų | 71 | 67.5 Ų | 67.5 | 46% | 0.461 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.7 | 149.2 | 165.5 | -24 | 36 | 0 | 0 | 0 | 112 | T34 D35 | P32-T34 WeakPolarHBondContact CB-OG1 3.31Å; P32-T34 PolarHBondContact O-N 3.35Å; P32-D35 WeakPolarHBondContact O-CB 3.21Å; P32-D35 PolarHBondContact O-N 3.38Å |
| 33 | A | 87.4 | Confident | 86.4 | Confident | 13 Ų | 13 | 70.7 Ų | 70.7 | 11% | 0.107 | 37% | 0.374 | C | S | . | . | G | 310 helix | trans | -66 | -21.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q13 G15 D16 D35 L36 | Q13-A33 HydrophobicContact CG-CB 3.91Å; G15-A33 WeakPolarHBondContact O-CB 3.43Å; D16-A33 VanDerWaalsContact C-CB 3.48Å; D16-A33 WeakPolarHBondContact O-CB 3.32Å; D16-A33 PolarHBondContact O-N 3.42Å; A33-D35 PolarHBondContact O-N 2.96Å; A33-L36 WeakPolarHBondContact O-CB 3.35Å; A33-L36 PolarHBondContact O-N 2.88Å |
| 34 | T | 87.4 | Confident | 86.4 | Confident | 98 Ų | 98 | 70.8 Ų | 70.8 | 60% | 0.601 | 38% | 0.377 | S | S | * | . | G | 310 helix | trans | -57.5 | -30.1 | 172.5 | 46 | 0 | 0 | 0 | 0 | 112.9 | P32 L36 L37 | P32-T34 WeakPolarHBondContact CB-OG1 3.31Å; P32-T34 PolarHBondContact O-N 3.35Å; T34-L36 PolarHBondContact O-N 2.96Å; T34-L36 VanDerWaalsContact O-N 3.14Å; T34-L37 WeakPolarHBondContact O-CB 3.42Å; T34-L37 WeakPolarHBondContact O-CG 3.45Å; T34-L37 PolarHBondContact O-N 3.21Å; T34-L37 VanDerWaalsContact O-N 3.14Å |
| 35 | D | 88.1 | Confident | 86.5 | Confident | 38 Ų | 38 | 66.1 Ų | 66.1 | 20% | 0.203 | 36% | 0.358 | C | S | . | . | G | 310 helix | trans | -70.1 | -11.6 | -175.4 | -63.8 | 21.7 | 0 | 0 | 0 | 112 | W20 R31 P32 A33 L37 L38 | W20-D35 HydrophobicContact CZ2-CB 3.95Å; W20-D35 WeakPolarHBondContact CZ2-O 3.32Å; R31-D35 HydrophobicContact CB-CB 4.3Å; P32-D35 WeakPolarHBondContact O-CB 3.21Å; P32-D35 PolarHBondContact O-N 3.38Å; A33-D35 PolarHBondContact O-N 2.96Å; D35-L37 PolarHBondContact O-N 2.62Å; D35-L37 VanDerWaalsContact O-N 3.17Å; D35-L38 HydrophobicContact CB-CD1 4.27Å; D35-L38 WeakPolarHBondContact O-CA 3.31Å; D35-L38 VanDerWaalsContact O-CB 3.26Å; D35-L38 WeakPolarHBondContact O-CB 3.45Å; D35-L38 PolarHBondContact O-N 2.94Å |
| 36 | L | 85.9 | Confident | 86.9 | Confident | 29 Ų | 29 | 61.3 Ų | 61.3 | 15% | 0.152 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -57.1 | -26.3 | 170.2 | -172.1 | 65.4 | 0 | 0 | 0 | 111.8 | F4 I11 A33 T34 L38 A39 P42 | F4-L36 HydrophobicContact CB-CD1 4.4Å; F4-L36 HydrophobicContact CD1-CD2 4.39Å; F4-L36 HydrophobicContact CD2-CD1 4.23Å; F4-L36 HydrophobicContact CD2-CD2 4.22Å; F4-L36 HydrophobicContact CE1-CD2 4.04Å; F4-L36 HydrophobicContact CE2-CD2 3.85Å; F4-L36 HydrophobicContact CG-CD1 4.17Å; F4-L36 HydrophobicContact CG-CD2 4.47Å; F4-L36 HydrophobicContact CZ-CD2 3.75Å; I11-L36 HydrophobicContact CB-CD1 4.45Å; I11-L36 HydrophobicContact CD1-CD1 3.8Å; I11-L36 HydrophobicContact CG2-CD1 4.22Å; A33-L36 WeakPolarHBondContact O-CB 3.35Å; A33-L36 PolarHBondContact O-N 2.88Å; T34-L36 PolarHBondContact O-N 2.96Å; T34-L36 VanDerWaalsContact O-N 3.14Å; L36-L38 PolarHBondContact O-N 3.15Å; L36-A39 HydrophobicContact CD1-CB 4.45Å; L36-A39 WeakPolarHBondContact O-CB 3.4Å; L36-A39 PolarHBondContact O-N 3Å; L36-P42 HydrophobicContact CD1-CB 3.84Å; L36-P42 HydrophobicContact CD1-CG 4.21Å; L36-P42 HydrophobicContact CG-CG 4.4Å |
| 37 | L | 82.6 | Confident | 87.1 | Confident | 161 Ų | 161 | 64 Ų | 64 | 84% | 0.843 | 35% | 0.346 | S | S | * | . | G | 310 helix | trans | -68.3 | -17.1 | 172.1 | -61.8 | 175.8 | 0 | 0 | 0 | 113.7 | T34 D35 | T34-L37 WeakPolarHBondContact O-CB 3.42Å; T34-L37 WeakPolarHBondContact O-CG 3.45Å; T34-L37 PolarHBondContact O-N 3.21Å; T34-L37 VanDerWaalsContact O-N 3.14Å; D35-L37 PolarHBondContact O-N 2.62Å; D35-L37 VanDerWaalsContact O-N 3.17Å |
| 38 | L | 83.8 | Confident | 87.3 | Confident | 139 Ų | 139 | 61.2 Ų | 61.2 | 73% | 0.728 | 33% | 0.326 | S | S | * | . | G | 310 helix | trans | -91 | -10.7 | 175.3 | -51.5 | 176.2 | 0 | 0 | 0 | 112.2 | D35 L36 | D35-L38 HydrophobicContact CB-CD1 4.27Å; D35-L38 WeakPolarHBondContact O-CA 3.31Å; D35-L38 VanDerWaalsContact O-CB 3.26Å; D35-L38 WeakPolarHBondContact O-CB 3.45Å; D35-L38 PolarHBondContact O-N 2.94Å; L36-L38 PolarHBondContact O-N 3.15Å |
| 39 | A | 83.2 | Confident | 87.4 | Confident | 14 Ų | 14 | 63.6 Ų | 63.6 | 12% | 0.116 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -72.3 | 137.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | A6 I11 W20 L36 N41 P42 | A6-A39 HydrophobicContact CB-CB 4.07Å; I11-A39 HydrophobicContact CD1-CB 3.7Å; W20-A39 HydrophobicContact CH2-CB 3.85Å; W20-A39 HydrophobicContact CZ3-CB 4.31Å; L36-A39 HydrophobicContact CD1-CB 4.45Å; L36-A39 WeakPolarHBondContact O-CB 3.4Å; L36-A39 PolarHBondContact O-N 3Å; A39-N41 PolarHBondContact O-N 3.41Å; A39-P42 HydrophobicContact CB-CB 4.1Å; A39-P42 HydrophobicContact CB-CG 4.13Å; A39-P42 WeakPolarHBondContact O-CD 3.44Å |
| 40 | W | 82.1 | Confident | 87.4 | Confident | 196 Ų | 196 | 61.9 Ų | 61.9 | 74% | 0.742 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -77.8 | 110 | 174.6 | -175.2 | -87.9 | 0 | 0 | 0 | 110.9 | K7 | K7-W40 HydrophobicContact CB-CB 4.39Å; K7-W40 PolarHBondContact N-O 3.35Å |
| 41 | N | 82 | Confident | 87.6 | Confident | 120 Ų | 120 | 60.6 Ų | 60.6 | 64% | 0.642 | 32% | 0.315 | S | S | * | . | S | Bend | trans | 50.6 | 61.9 | 176.5 | -167.1 | 63 | 0 | 0 | 0 | 114.1 | A39 V43 | A39-N41 PolarHBondContact O-N 3.41Å; N41-V43 PolarHBondContact O-N 3.49Å |
| 42 | P | 86.3 | Confident | 87.8 | Confident | 46 Ų | 46 | 56.1 Ų | 56.1 | 30% | 0.299 | 30% | 0.298 | S | S | . | . | trans | -70.7 | 111.7 | -179.5 | 29.6 | -34.5 | 0 | 0 | 0 | 111.4 | F4 Q5 L36 A39 | F4-P42 HydrophobicContact CB-CB 4.35Å; F4-P42 HydrophobicContact CD1-CB 4.49Å; Q5-P42 WeakPolarHBondContact O-CA 3.41Å; L36-P42 HydrophobicContact CD1-CB 3.84Å; L36-P42 HydrophobicContact CD1-CG 4.21Å; L36-P42 HydrophobicContact CG-CG 4.4Å; A39-P42 HydrophobicContact CB-CB 4.1Å; A39-P42 HydrophobicContact CB-CG 4.13Å; A39-P42 WeakPolarHBondContact O-CD 3.44Å | ||
| 43 | V | 87 | Confident | 88 | Confident | 81 Ų | 81 | 52.8 Ų | 52.8 | 49% | 0.491 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 126.1 | 175.5 | -179.2 | 0 | 0 | 0 | 0 | 109.2 | F4 Q5 N41 M45 | F4-V43 CarbonylContact C-O 3.51Å; F4-V43 WeakPolarHBondContact CA-O 3.5Å; Q5-V43 PolarHBondContact N-O 3.39Å; Q5-V43 PolarHBondContact O-N 3.49Å; N41-V43 PolarHBondContact O-N 3.49Å; V43-M45 PolarHBondContact O-N 3.39Å |
| 44 | C | 88.5 | Confident | 88.1 | Confident | 15 Ų | 15 | 53.2 Ų | 53.2 | 10% | 0.101 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 124.6 | 174.2 | -164.9 | 0 | 0 | 0 | 0 | 109.9 | F4 H111 H112 | F4-C44 HydrophobicContact CD1-CB 3.82Å; F4-C44 HydrophobicContact CE1-CB 3.75Å; C44-H111 HydrophobicContact CB-CB 3.71Å; C44-H111 PolarHBondContact SG-ND1 2.92Å; C44-H112 PolarHBondContact O-CE1 2.87Å; C44-H112 PolarHBondContact O-NE2 2.82Å; C44-H112 VanDerWaalsContact O-NE2 3.15Å |
| 45 | M | 85.6 | Confident | 88.2 | Confident | 30 Ų | 30 | 48.8 Ų | 48.8 | 15% | 0.148 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | -23.3 | 179.5 | -56.8 | 172.2 | 75.6 | 0 | 0 | 111.7 | L3 Q5 Y10 V43 I93 P100 L103 L105 | L3-M45 HydrophobicContact CB-CB 4.44Å; L3-M45 HydrophobicContact CD1-SD 4.42Å; L3-M45 HydrophobicContact CD2-CB 4.05Å; L3-M45 HydrophobicContact CD2-CE 4.1Å; L3-M45 HydrophobicContact CD2-CG 4.43Å; L3-M45 HydrophobicContact CD2-SD 3.56Å; L3-M45 VanDerWaalsContact CD2-SD 3.56Å; L3-M45 HydrophobicContact CG-CB 4.15Å; L3-M45 HydrophobicContact CG-CG 4.35Å; L3-M45 HydrophobicContact CG-SD 3.64Å; L3-M45 PolarHBondContact O-N 3.44Å; Q5-M45 HydrophobicContact CB-CG 4.06Å; Q5-M45 HydrophobicContact CB-SD 3.69Å; Y10-M45 HydrophobicContact CD1-SD 4.05Å; Y10-M45 HydrophobicContact CE1-CE 4.3Å; Y10-M45 HydrophobicContact CE1-SD 4.2Å; V43-M45 PolarHBondContact O-N 3.39Å; M45-I93 HydrophobicContact CE-CD1 4.31Å; M45-P100 HydrophobicContact CE-CG 3.82Å; M45-L103 HydrophobicContact CE-CD1 3.34Å; M45-L105 HydrophobicContact CB-CD1 4.07Å |
| 46 | G | 89.5 | Confident | 88 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 134.3 | -152.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L3 E106 | L3-G46 PolarHBondContact N-O 3.38Å; G46-E106 CarbonylContact C-O 3.51Å; G46-E106 VanDerWaalsContact CA-O 3.3Å; G46-E106 WeakPolarHBondContact CA-O 3.47Å |
| 47 | L | 89.9 | Confident | 87.3 | Confident | 57 Ų | 57 | 48.7 Ų | 48.7 | 30% | 0.298 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 141.9 | -175.8 | -59.2 | 177.5 | 0 | 0 | 0 | 112.1 | M1 E2 E106 C108 | M1-L47 WeakPolarHBondContact O-CA 3.35Å; E2-L47 HydrophobicContact CB-CD2 4.5Å; E2-L47 HydrophobicContact CG-CD2 3.56Å; L47-E106 PolarHBondContact N-O 3.29Å; L47-C108 HydrophobicContact CD2-CB 3.96Å; L47-C108 HydrophobicContact CG-CB 4.29Å |
| 48 | V | 92.8 | Very high | 86.3 | Confident | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.012 | 21% | 0.213 | C | C | . | . | trans | -134.1 | 155.6 | 172.1 | -64.2 | 0 | 0 | 0 | 0 | 110.8 | M1 L3 L12 L68 L105 | M1-V48 WeakPolarHBondContact CA-O 3.24Å; M1-V48 HydrophobicContact CB-CG2 4.14Å; M1-V48 WeakPolarHBondContact CB-O 3.18Å; M1-V48 PolarHBondContact N-O 2.92Å; M1-V48 PolarHBondContact O-N 3.23Å; L3-V48 HydrophobicContact CB-CG1 4.43Å; L3-V48 HydrophobicContact CB-CG2 4.29Å; L3-V48 HydrophobicContact CD2-CG1 4.29Å; L12-V48 HydrophobicContact CD2-CG2 3.84Å; L12-V48 HydrophobicContact CG-CG2 4.48Å; V48-L68 HydrophobicContact CG1-CB 4.37Å; V48-L68 HydrophobicContact CG1-CD1 4.06Å; V48-L68 HydrophobicContact CG2-CD1 4.43Å; V48-L105 HydrophobicContact CG1-CD1 4.18Å; V48-L105 HydrophobicContact CG1-CD2 4.02Å | ||
| 49 | E | 92 | Very high | 85.2 | Confident | 66 Ų | 66 | 37.2 Ų | 37.2 | 31% | 0.308 | 19% | 0.188 | S | C | . | . | trans | -98.6 | -13.3 | -170.1 | -74.1 | -78.8 | -141.5 | 0 | 0 | 114.5 | I69 K72 | E49-I69 HydrophobicContact CB-CB 3.98Å; E49-I69 HydrophobicContact CB-CG2 3.75Å; E49-I69 PolarHBondContact N-O 3.43Å; E49-K72 HydrophobicContact CB-CD 4.25Å; E49-K72 VanDerWaalsContact CD-CE 3.44Å; E49-K72 HydrophobicContact CG-CD 4.1Å; E49-K72 HydrophobicContact CG-CG 4.33Å; E49-K72 WeakPolarHBondContact OE1-CD 3.39Å; E49-K72 WeakPolarHBondContact OE1-CE 3.44Å; E49-K72 IonicContact OE1-NZ 2.94Å; E49-K72 PolarHBondContact OE1-NZ 2.82Å; E49-K72 VanDerWaalsContact OE1-NZ 3.12Å; E49-K72 WeakPolarHBondContact OE2-CE 3.28Å; E49-K72 IonicContact OE2-NZ 3.25Å; E49-K72 PolarHBondContact OE2-NZ 2.76Å | ||
| 50 | G | 91.8 | Very high | 84 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 163.4 | 172 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | I69 | G50-I69 PolarHBondContact O-N 3.17Å |
| 51 | V | 93.7 | Very high | 82.7 | Confident | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.006 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 132.2 | 176.7 | -179.8 | 0 | 0 | 0 | 0 | 109.2 | L12 L19 L66 L68 W231 | L12-V51 HydrophobicContact CD2-CG2 3.68Å; L19-V51 HydrophobicContact CD2-CG2 4.03Å; V51-L66 HydrophobicContact CG1-CD1 4.5Å; V51-L68 HydrophobicContact CB-CD2 4.32Å; V51-L68 HydrophobicContact CG1-CD2 4.34Å; V51-L68 HydrophobicContact CG2-CD2 3.91Å; V51-W231 HydrophobicContact CG2-CE3 4.24Å |
| 52 | I | 94.4 | Very high | 81.8 | Confident | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | -37.3 | 169.4 | -56.3 | -169.9 | 0 | 0 | 0 | 109.9 | V67 I69 I87 I90 F170 N213 M216 I217 I235 | I52-V67 HydrophobicContact CB-CB 4.14Å; I52-V67 HydrophobicContact CB-CG1 3.93Å; I52-V67 WeakPolarHBondContact CB-O 3.31Å; I52-V67 HydrophobicContact CD1-CG1 4.04Å; I52-V67 HydrophobicContact CG1-CG1 4.33Å; I52-V67 HydrophobicContact CG2-CG1 4.28Å; I52-V67 PolarHBondContact N-O 3.41Å; I52-I69 HydrophobicContact CD1-CG1 3.93Å; I52-I69 HydrophobicContact CG1-CD1 4.37Å; I52-I69 HydrophobicContact CG1-CG1 3.55Å; I52-I87 HydrophobicContact CD1-CD1 3.93Å; I52-I87 HydrophobicContact CG1-CD1 4.47Å; I52-I90 HydrophobicContact CD1-CB 4.48Å; I52-I90 HydrophobicContact CD1-CG2 3.48Å; I52-I90 VanDerWaalsContact CD1-CG2 3.48Å; I52-F170 HydrophobicContact CD1-CD1 4.22Å; I52-F170 HydrophobicContact CD1-CE1 3.65Å; I52-F170 HydrophobicContact CD1-CZ 4.01Å; I52-F170 HydrophobicContact CG2-CE1 4.45Å; I52-F170 HydrophobicContact CG2-CZ 4.03Å; I52-N213 HydrophobicContact CG2-CB 4.31Å; I52-N213 PolarHBondContact O-ND2 3.31Å; I52-M216 HydrophobicContact CG2-CE 3.84Å; I52-M216 HydrophobicContact CG2-SD 4.19Å; I52-I217 VanDerWaalsContact O-CG2 3.26Å; I52-I217 WeakPolarHBondContact O-CG2 3.4Å; I52-I235 HydrophobicContact CB-CD1 4.24Å; I52-I235 HydrophobicContact CG1-CD1 3.98Å; I52-I235 HydrophobicContact CG2-CD1 3.96Å |
| 53 | G | 93.1 | Very high | 80.9 | Confident | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.01 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 137.7 | -165.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | V67 M216 | G53-V67 PolarHBondContact N-O 3.26Å; G53-V67 WeakPolarHBondContact O-CA 3.48Å; G53-V67 WeakPolarHBondContact O-CB 3.22Å; G53-V67 PolarHBondContact O-N 2.86Å; G53-M216 CarbonylContact C-O 3.53Å; G53-M216 VanDerWaalsContact CA-O 3.26Å; G53-M216 WeakPolarHBondContact CA-O 2.98Å |
| 54 | K | 91.1 | Very high | 80.6 | Confident | 22 Ų | 22 | 32.2 Ų | 32.2 | 10% | 0.096 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 153 | 173.5 | -64 | -175.4 | -66 | 174.7 | 0 | 111.5 | G26 M28 L64 G65 L66 L95 M216 D219 | G26-K54 WeakPolarHBondContact O-CD 3.43Å; G26-K54 WeakPolarHBondContact O-CE 3.43Å; G26-K54 PolarHBondContact O-NZ 2.61Å; M28-K54 HydrophobicContact CE-CD 4.03Å; M28-K54 HydrophobicContact CE-CG 3.77Å; M28-K54 HydrophobicContact SD-CD 4.5Å; K54-L64 HydrophobicContact CB-CD2 4.47Å; K54-G65 CarbonylContact C-O 3.49Å; K54-G65 VanDerWaalsContact CA-O 3.3Å; K54-G65 WeakPolarHBondContact CA-O 3.42Å; K54-L66 HydrophobicContact CG-CD1 4.47Å; K54-L95 HydrophobicContact CD-CD1 4.25Å; K54-M216 PolarHBondContact N-O 2.96Å; K54-M216 WeakPolarHBondContact O-CA 3.38Å; K54-M216 VanDerWaalsContact O-CB 3.31Å; K54-M216 WeakPolarHBondContact O-CB 3.37Å; K54-M216 WeakPolarHBondContact O-CG 3.22Å; K54-D219 WeakPolarHBondContact CE-OD2 3.2Å; K54-D219 IonicContact NZ-OD2 3.27Å; K54-D219 PolarHBondContact NZ-OD2 3.11Å |
| 55 | I | 89.2 | Confident | 80.5 | Confident | 5 Ų | 5 | 31.8 Ų | 31.8 | 3% | 0.026 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 139.9 | 170.2 | -166.1 | 170.1 | 0 | 0 | 0 | 110.6 | L57 G65 V67 L166 M216 L565 M566 | I55-L57 HydrophobicContact CD1-CD2 4.16Å; I55-L57 HydrophobicContact CG1-CD2 4.41Å; I55-L57 HydrophobicContact CG2-CD2 4.36Å; I55-G65 PolarHBondContact N-O 2.72Å; I55-G65 PolarHBondContact O-N 2.86Å; I55-V67 HydrophobicContact CB-CG2 4.32Å; I55-V67 HydrophobicContact CG2-CG2 3.64Å; I55-L166 HydrophobicContact CD1-CD1 4.24Å; I55-L166 HydrophobicContact CD1-CD2 4.23Å; I55-L166 HydrophobicContact CG2-CD2 4.17Å; I55-M216 HydrophobicContact CB-CE 4.32Å; I55-L565 HydrophobicContact CD1-CB 4.36Å; I55-L565 HydrophobicContact CG1-CB 4.49Å; I55-M566 HydrophobicContact CD1-CG 3.82Å |
| 56 | Q | 84 | Confident | 80.8 | Confident | 54 Ų | 54 | 30.4 Ų | 30.4 | 25% | 0.252 | 18% | 0.176 | S | C | . | . | trans | -102.9 | 121.7 | 169.6 | -168.4 | 64.3 | 15.9 | 0 | 0 | 108.4 | T59 L62 L64 L565 | Q56-T59 PolarHBondContact NE2-O 2.8Å; Q56-L62 PolarHBondContact NE2-O 3.19Å; Q56-L64 HydrophobicContact CB-CD2 4.34Å; Q56-L64 VanDerWaalsContact OE1-CG 3.26Å; Q56-L565 WeakPolarHBondContact O-CD2 3.35Å | ||
| 57 | L | 70.9 | Confident | 81 | Confident | 12 Ų | 12 | 30.4 Ų | 30.4 | 6% | 0.063 | 18% | 0.176 | C | C | . | . | trans | -84.6 | -24.7 | -168.2 | -74.8 | 179.1 | 0 | 0 | 0 | 115.8 | I55 E159 L162 L163 L166 L565 | I55-L57 HydrophobicContact CD1-CD2 4.16Å; I55-L57 HydrophobicContact CG1-CD2 4.41Å; I55-L57 HydrophobicContact CG2-CD2 4.36Å; L57-E159 HydrophobicContact CD1-CG 4.26Å; L57-L162 HydrophobicContact CD2-CB 4.4Å; L57-L162 WeakPolarHBondContact O-CD1 3.44Å; L57-L163 HydrophobicContact CD1-CB 4.09Å; L57-L163 HydrophobicContact CD1-CD1 4.38Å; L57-L166 HydrophobicContact CD2-CD2 4.39Å; L57-L565 WeakPolarHBondContact O-CD1 3.45Å | ||
| 58 | H | 62.3 | Low | 81.2 | Confident | 26 Ų | 26 | 27.7 Ų | 27.7 | 12% | 0.12 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -157.6 | -48.5 | -178 | -171.7 | -102.8 | 0 | 0 | 0 | 116.4 | L62 L158 Y576 | H58-L62 HydrophobicContact CB-CD1 4.09Å; H58-L158 WeakPolarHBondContact CD2-CD2 3.43Å; H58-L158 WeakPolarHBondContact NE2-CD2 3.43Å; H58-Y576 AromaticContact CE1-CZ 3.86Å; H58-Y576 PolarHBondContact CE1-OH 3.14Å; H58-Y576 AromaticContact NE2-CZ 3.73Å; H58-Y576 PolarHBondContact NE2-OH 3.33Å |
| 59 | T | 60.5 | Low | 81.2 | Confident | 33 Ų | 33 | 27.6 Ų | 27.6 | 20% | 0.202 | 16% | 0.161 | C | C | . | . | trans | -148.5 | 154.8 | -174.2 | 34.6 | 0 | 0 | 0 | 0 | 110.1 | Q56 D61 L62 | Q56-T59 PolarHBondContact NE2-O 2.8Å; T59-D61 PolarHBondContact O-N 3.26Å; T59-D61 VanDerWaalsContact O-N 3.09Å; T59-L62 PolarHBondContact O-N 3.18Å; T59-L62 VanDerWaalsContact O-N 3.17Å | ||
| 60 | A | 57.2 | Low | 81.3 | Confident | 100 Ų | 100 | 26.7 Ų | 26.7 | 83% | 0.826 | 16% | 0.155 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -17 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | L62 | A60-L62 PolarHBondContact O-N 2.99Š|
| 61 | D | 54.3 | Low | 81.3 | Confident | 124 Ų | 124 | 29.1 Ų | 29.1 | 66% | 0.663 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -7.7 | 175.9 | -47.6 | -32.3 | 0 | 0 | 0 | 114.7 | T59 K155 | T59-D61 PolarHBondContact O-N 3.26Å; T59-D61 VanDerWaalsContact O-N 3.09Å; D61-K155 IonicContact OD2-NZ 2.88Å; D61-K155 PolarHBondContact OD2-NZ 3.42Å |
| 62 | L | 64.3 | Low | 81.3 | Confident | 34 Ų | 34 | 32 Ų | 32 | 18% | 0.178 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -110.1 | 153.1 | -175.7 | -71.3 | 174.5 | 0 | 0 | 0 | 111.1 | Q56 H58 T59 A60 E159 | Q56-L62 PolarHBondContact NE2-O 3.19Å; H58-L62 HydrophobicContact CB-CD1 4.09Å; T59-L62 PolarHBondContact O-N 3.18Å; T59-L62 VanDerWaalsContact O-N 3.17Å; A60-L62 PolarHBondContact O-N 2.99Å; L62-E159 HydrophobicContact CD1-CB 4.39Å; L62-E159 HydrophobicContact CD1-CG 4.45Å |
| 63 | P | 66.1 | Low | 81.3 | Confident | 47 Ų | 47 | 33.8 Ų | 33.8 | 31% | 0.305 | 19% | 0.193 | S | C | . | . | P | Polyproline II helix | trans | -63.3 | 143.9 | 178.4 | 27 | -34.8 | 0 | 0 | 0 | 112.1 | P94 L95 | P63-P94 HydrophobicContact CB-CB 4.45Å; P63-P94 HydrophobicContact CG-CB 4.32Å; P63-L95 WeakPolarHBondContact CB-O 3.5Å |
| 64 | L | 80.9 | Confident | 81.4 | Confident | 46 Ų | 46 | 38.3 Ų | 38.3 | 24% | 0.241 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.1 | 140.5 | 167 | -83.1 | 159.2 | 0 | 0 | 0 | 109.5 | D25 K54 Q56 L95 | D25-L64 WeakPolarHBondContact O-CD1 3.36Å; K54-L64 HydrophobicContact CB-CD2 4.47Å; Q56-L64 HydrophobicContact CB-CD2 4.34Å; Q56-L64 VanDerWaalsContact OE1-CG 3.26Å; L64-L95 HydrophobicContact CB-CB 4.11Å; L64-L95 HydrophobicContact CB-CD1 3.79Å; L64-L95 HydrophobicContact CB-CG 4.14Å; L64-L95 VanDerWaalsContact O-CB 3.31Å; L64-L95 WeakPolarHBondContact O-CB 3.48Å; L64-L95 WeakPolarHBondContact O-CG 3.41Å; L64-L95 PolarHBondContact O-N 2.82Å |
| 65 | G | 87.3 | Confident | 81.6 | Confident | 7 Ų | 7 | 39 Ų | 39 | 7% | 0.072 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 120.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | K54 I55 | K54-G65 CarbonylContact C-O 3.49Å; K54-G65 VanDerWaalsContact CA-O 3.3Å; K54-G65 WeakPolarHBondContact CA-O 3.42Å; I55-G65 PolarHBondContact N-O 2.72Å; I55-G65 PolarHBondContact O-N 2.86Å |
| 66 | L | 91.1 | Very high | 81.7 | Confident | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 117.8 | 167.8 | 178.5 | 62.1 | 0 | 0 | 0 | 109.5 | L12 C21 M28 V51 K54 L68 V92 I93 L95 | L12-L66 HydrophobicContact CD1-CD2 4.44Å; C21-L66 HydrophobicContact CB-CD2 4.33Å; M28-L66 HydrophobicContact CE-CD1 3.57Å; V51-L66 HydrophobicContact CG1-CD1 4.5Å; K54-L66 HydrophobicContact CG-CD1 4.47Å; L66-L68 HydrophobicContact CD1-CD2 4.13Å; L66-L68 HydrophobicContact CD2-CD1 4.46Å; L66-L68 HydrophobicContact CD2-CD2 4.22Å; L66-L68 HydrophobicContact CD2-CG 4.5Å; L66-L68 HydrophobicContact CG-CD2 3.91Å; L66-L68 HydrophobicContact CG-CG 4.17Å; L66-V92 WeakPolarHBondContact O-CA 3.48Å; L66-I93 PolarHBondContact N-O 3.34Å; L66-I93 PolarHBondContact O-N 3.33Å; L66-L95 HydrophobicContact CB-CD2 3.94Å; L66-L95 HydrophobicContact CB-CG 4.38Å |
| 67 | V | 93.3 | Very high | 82.1 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 119.1 | -176.7 | -169.1 | 0 | 0 | 0 | 0 | 110.1 | I52 G53 I55 I90 A91 V92 M216 | I52-V67 HydrophobicContact CB-CB 4.14Å; I52-V67 HydrophobicContact CB-CG1 3.93Å; I52-V67 WeakPolarHBondContact CB-O 3.31Å; I52-V67 HydrophobicContact CD1-CG1 4.04Å; I52-V67 HydrophobicContact CG1-CG1 4.33Å; I52-V67 HydrophobicContact CG2-CG1 4.28Å; I52-V67 PolarHBondContact N-O 3.41Å; G53-V67 PolarHBondContact N-O 3.26Å; G53-V67 WeakPolarHBondContact O-CA 3.48Å; G53-V67 WeakPolarHBondContact O-CB 3.22Å; G53-V67 PolarHBondContact O-N 2.86Å; I55-V67 HydrophobicContact CB-CG2 4.32Å; I55-V67 HydrophobicContact CG2-CG2 3.64Å; V67-I90 HydrophobicContact CG1-CB 4.39Å; V67-I90 HydrophobicContact CG1-CD1 4.11Å; V67-A91 WeakPolarHBondContact CA-O 3.44Å; V67-V92 HydrophobicContact CG1-CG2 4.37Å; V67-V92 HydrophobicContact CG2-CG1 4.43Å; V67-V92 HydrophobicContact CG2-CG2 4.35Å; V67-M216 HydrophobicContact CB-CE 4.02Å; V67-M216 HydrophobicContact CG2-CE 3.82Å |
| 68 | L | 94 | Very high | 83.1 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 150.6 | -176 | -56.9 | -177.9 | 0 | 0 | 0 | 111.4 | L3 L12 V48 V51 L66 R70 I90 A91 I93 | L3-L68 HydrophobicContact CD1-CD1 4.21Å; L3-L68 HydrophobicContact CD2-CD1 4Å; L12-L68 HydrophobicContact CD2-CD1 4.37Å; L12-L68 HydrophobicContact CD2-CD2 3.91Å; V48-L68 HydrophobicContact CG1-CB 4.37Å; V48-L68 HydrophobicContact CG1-CD1 4.06Å; V48-L68 HydrophobicContact CG2-CD1 4.43Å; V51-L68 HydrophobicContact CB-CD2 4.32Å; V51-L68 HydrophobicContact CG1-CD2 4.34Å; V51-L68 HydrophobicContact CG2-CD2 3.91Å; L66-L68 HydrophobicContact CD1-CD2 4.13Å; L66-L68 HydrophobicContact CD2-CD1 4.46Å; L66-L68 HydrophobicContact CD2-CD2 4.22Å; L66-L68 HydrophobicContact CD2-CG 4.5Å; L66-L68 HydrophobicContact CG-CD2 3.91Å; L66-L68 HydrophobicContact CG-CG 4.17Å; L68-R70 PolarHBondContact O-N 3Å; L68-I90 CarbonylContact O-C 3.56Å; L68-I90 VanDerWaalsContact O-CA 3.26Å; L68-I90 WeakPolarHBondContact O-CA 3.27Å; L68-A91 PolarHBondContact N-O 3.28Å; L68-A91 PolarHBondContact O-N 3.22Å; L68-I93 HydrophobicContact CD1-CD1 3.73Å |
| 69 | I | 94.5 | Very high | 84.1 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 111.1 | 171.5 | -51.6 | 177.3 | 0 | 0 | 0 | 107.6 | E49 G50 I52 I87 Y178 | E49-I69 HydrophobicContact CB-CB 3.98Å; E49-I69 HydrophobicContact CB-CG2 3.75Å; E49-I69 PolarHBondContact N-O 3.43Å; G50-I69 PolarHBondContact O-N 3.17Å; I52-I69 HydrophobicContact CD1-CG1 3.93Å; I52-I69 HydrophobicContact CG1-CD1 4.37Å; I52-I69 HydrophobicContact CG1-CG1 3.55Å; I69-I87 HydrophobicContact CD1-CD1 3.94Å; I69-I87 HydrophobicContact CD1-CG1 4.18Å; I69-I87 HydrophobicContact CG1-CD1 4.09Å; I69-I87 HydrophobicContact CG1-CG1 4.38Å; I69-I87 HydrophobicContact CG2-CG1 4.26Å; I69-I87 HydrophobicContact CG2-CG2 4.34Å; I69-Y178 HydrophobicContact CD1-CD1 4.4Å; I69-Y178 HydrophobicContact CD1-CE1 3.77Å; I69-Y178 HydrophobicContact CD1-CE2 4.48Å |
| 70 | R | 92.6 | Very high | 85.1 | Confident | 47 Ų | 47 | 43.2 Ų | 43.2 | 18% | 0.177 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | -43.3 | 179.4 | 175.7 | -179.4 | 165.7 | -153.1 | -8.4 | 111.6 | L68 K89 A91 E104 L105 | L68-R70 PolarHBondContact O-N 3Å; R70-K89 HydrophobicContact CB-CB 4.17Å; R70-K89 HydrophobicContact CG-CB 4.41Å; R70-K89 PolarHBondContact N-O 2.88Å; R70-A91 HydrophobicContact CB-CB 4.17Å; R70-E104 VanDerWaalsContact CZ-CB 3.47Å; R70-E104 IonicContact CZ-OE2 2.8Å; R70-E104 PolarHBondContact NE-O 3.28Å; R70-E104 IonicContact NH1-OE2 2.82Å; R70-E104 PolarHBondContact NH1-OE2 3.2Å; R70-E104 PolarHBondContact NH2-O 2.86Å; R70-E104 IonicContact NH2-OE2 2.85Å; R70-E104 PolarHBondContact NH2-OE2 3.29Å; R70-L105 HydrophobicContact CG-CD2 4.01Å |
| 71 | Q | 92 | Very high | 86.5 | Confident | 50 Ų | 50 | 42.3 Ų | 42.3 | 23% | 0.234 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 145.8 | 174.7 | -72.3 | -174.6 | -39 | 0 | 0 | 110.7 | T88 K89 E106 | Q71-T88 VanDerWaalsContact C-OG1 3.31Å; Q71-T88 PolarHBondContact O-N 2.87Å; Q71-T88 PolarHBondContact O-OG1 3.17Å; Q71-T88 VanDerWaalsContact O-OG1 3.1Å; Q71-K89 HydrophobicContact CB-CB 4.12Å; Q71-K89 HydrophobicContact CB-CG 4.28Å; Q71-K89 PolarHBondContact N-O 3.46Å; Q71-K89 PolarHBondContact O-N 2.81Å; Q71-K89 VanDerWaalsContact O-N 3.16Å; Q71-K89 VanDerWaalsContact OE1-CD 3.26Å; Q71-E106 PolarHBondContact NE2-OE1 3.45Å |
| 72 | K | 93.8 | Very high | 88.3 | Confident | 62 Ų | 62 | 39 Ų | 39 | 27% | 0.27 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 159.8 | 175.1 | 74.7 | -168.1 | -176.3 | -153.3 | 0 | 110.5 | E49 Y85 K86 Y178 | E49-K72 HydrophobicContact CB-CD 4.25Å; E49-K72 VanDerWaalsContact CD-CE 3.44Å; E49-K72 HydrophobicContact CG-CD 4.1Å; E49-K72 HydrophobicContact CG-CG 4.33Å; E49-K72 WeakPolarHBondContact OE1-CD 3.39Å; E49-K72 WeakPolarHBondContact OE1-CE 3.44Å; E49-K72 IonicContact OE1-NZ 2.94Å; E49-K72 PolarHBondContact OE1-NZ 2.82Å; E49-K72 VanDerWaalsContact OE1-NZ 3.12Å; E49-K72 WeakPolarHBondContact OE2-CE 3.28Å; E49-K72 IonicContact OE2-NZ 3.25Å; E49-K72 PolarHBondContact OE2-NZ 2.76Å; K72-Y85 HydrophobicContact CD-CD1 3.74Å; K72-Y85 HydrophobicContact CD-CE1 4.24Å; K72-Y85 HydrophobicContact CD-CG 3.98Å; K72-Y85 HydrophobicContact CG-CD1 4Å; K72-K86 CarbonylContact C-O 3.55Å; K72-K86 VanDerWaalsContact CA-O 3.25Å; K72-K86 WeakPolarHBondContact CA-O 3.25Å; K72-Y178 VanDerWaalsContact CD-OH 3.24Å; K72-Y178 WeakPolarHBondContact CD-OH 3.36Å |
| 73 | A | 95.1 | Very high | 89.7 | Confident | 39 Ų | 39 | 40.5 Ų | 40.5 | 32% | 0.322 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 141.6 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | Y85 K86 T88 | A73-Y85 CarbonylContact O-C 3.59Å; A73-Y85 WeakPolarHBondContact O-CA 3.33Å; A73-K86 PolarHBondContact N-O 2.93Å; A73-K86 PolarHBondContact O-N 3.27Å; A73-T88 HydrophobicContact CB-CG2 3.73Å |
| 74 | L | 95.7 | Very high | 91.1 | Very high | 96 Ų | 96 | 38.2 Ų | 38.2 | 50% | 0.503 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 131.4 | 167.6 | -176.9 | 69.5 | 0 | 0 | 0 | 108.6 | K83 Y85 | L74-K83 HydrophobicContact CD1-CB 3.86Å; L74-K83 HydrophobicContact CD1-CG 4.16Å; L74-Y85 HydrophobicContact CB-CD1 4.44Å; L74-Y85 HydrophobicContact CB-CE1 4.26Å; L74-Y85 HydrophobicContact CD1-CD1 4.26Å; L74-Y85 HydrophobicContact CD1-CE1 3.82Å |
| 75 | V | 93.8 | Very high | 91.9 | Very high | 36 Ų | 36 | 38.3 Ų | 38.3 | 22% | 0.218 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | -33.6 | 178.9 | 178.7 | 0 | 0 | 0 | 0 | 111.2 | V84 K86 Y177 V240 | V75-V84 HydrophobicContact CB-CB 4.49Å; V75-V84 HydrophobicContact CB-CG1 4.26Å; V75-V84 HydrophobicContact CG2-CG1 4.45Å; V75-V84 PolarHBondContact N-O 3.1Å; V75-K86 HydrophobicContact CG2-CB 3.46Å; V75-K86 VanDerWaalsContact CG2-CB 3.46Å; V75-Y177 HydrophobicContact CG1-CE1 4.29Å; V75-Y177 HydrophobicContact CG2-CD1 3.9Å; V75-Y177 HydrophobicContact CG2-CE1 3.77Å; V75-V240 HydrophobicContact CG1-CB 4.26Å; V75-V240 HydrophobicContact CG1-CG1 4.12Å; V75-V240 VanDerWaalsContact CG1-O 3.31Å; V75-V240 WeakPolarHBondContact CG1-O 3.36Å |
| 76 | G | 92.2 | Very high | 92.3 | Very high | 16 Ų | 16 | 40 Ų | 40 | 17% | 0.165 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 162.1 | -173.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | V84 | G76-V84 PolarHBondContact O-N 3.03Å |
| 77 | Q | 92.5 | Very high | 92.5 | Very high | 100 Ų | 100 | 40 Ų | 40 | 47% | 0.467 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 125.7 | 175.1 | -70.1 | 166.2 | 8 | 0 | 0 | 108.4 | D81 K83 | Q77-D81 WeakPolarHBondContact CG-OD1 3.24Å; Q77-D81 PolarHBondContact NE2-OD1 3.38Å; Q77-D81 PolarHBondContact OE1-OD1 3.02Å; Q77-K83 HydrophobicContact CG-CG 3.93Å |
| 78 | L | 90.8 | Very high | 92.5 | Very high | 4 Ų | 4 | 42.1 Ų | 42.1 | 2% | 0.021 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 162.6 | 165.4 | -66 | 178.8 | 0 | 0 | 0 | 109.6 | G80 D81 H82 V84 Y182 L184 V242 A280 I282 L314 | L78-G80 PolarHBondContact O-N 3.44Å; L78-D81 PolarHBondContact O-N 3.06Å; L78-H82 HydrophobicContact CB-CB 3.87Å; L78-H82 PolarHBondContact N-O 3.11Å; L78-H82 PolarHBondContact O-N 3.15Å; L78-H82 VanDerWaalsContact O-N 3.09Å; L78-V84 HydrophobicContact CD1-CG2 3.65Å; L78-V84 HydrophobicContact CG-CG2 3.78Å; L78-Y182 HydrophobicContact CD1-CD1 3.7Å; L78-Y182 HydrophobicContact CD1-CE1 3.7Å; L78-Y182 HydrophobicContact CD1-CG 4.18Å; L78-L184 HydrophobicContact CD1-CD2 3.85Å; L78-V242 HydrophobicContact CD2-CG2 3.97Å; L78-A280 HydrophobicContact CD2-CB 3.58Å; L78-I282 HydrophobicContact CD1-CD1 4.11Å; L78-I282 HydrophobicContact CD2-CD1 4.31Å; L78-L314 HydrophobicContact CD2-CD1 4.14Å |
| 79 | P | 84.6 | Confident | 92.4 | Very high | 30 Ų | 30 | 45.2 Ų | 45.2 | 20% | 0.195 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.7 | 134 | -176.9 | -29.7 | 38.1 | 0 | 0 | 0 | 112.2 | H82 H316 T321 | P79-H82 PolarHBondContact O-CD2 2.87Å; P79-H316 HydrophobicContact CG-CB 3.68Å; P79-H316 VanDerWaalsContact CG-CG 3.45Å; P79-T321 HydrophobicContact CG-CG2 4.12Å |
| 80 | G | 81.1 | Confident | 92.3 | Very high | 68 Ų | 68 | 45.3 Ų | 45.3 | 70% | 0.701 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 87.7 | 23.6 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | L78 H82 | L78-G80 PolarHBondContact O-N 3.44Å; G80-H82 PolarHBondContact O-N 3.3Å |
| 81 | D | 86.6 | Confident | 92.3 | Very high | 82 Ų | 82 | 43.2 Ų | 43.2 | 44% | 0.439 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.6 | 33.6 | -176.3 | -169 | 18.6 | 0 | 0 | 0 | 113.5 | Q77 L78 K83 | Q77-D81 WeakPolarHBondContact CG-OD1 3.24Å; Q77-D81 PolarHBondContact NE2-OD1 3.38Å; Q77-D81 PolarHBondContact OE1-OD1 3.02Å; L78-D81 PolarHBondContact O-N 3.06Å; D81-K83 PolarHBondContact O-N 3.27Å; D81-K83 WeakPolarHBondContact OD1-CE 3.36Å; D81-K83 IonicContact OD1-NZ 2.69Å; D81-K83 PolarHBondContact OD1-NZ 2.99Å; D81-K83 IonicContact OD2-NZ 3.38Å; D81-K83 PolarHBondContact OD2-NZ 2.9Å |
| 82 | H | 91.3 | Very high | 92.2 | Very high | 54 Ų | 54 | 41.7 Ų | 41.7 | 25% | 0.25 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 84 | 176.6 | -77.5 | -46.3 | 0 | 0 | 0 | 110.4 | L78 P79 G80 V84 T181 Y182 | L78-H82 HydrophobicContact CB-CB 3.87Å; L78-H82 PolarHBondContact N-O 3.11Å; L78-H82 PolarHBondContact O-N 3.15Å; L78-H82 VanDerWaalsContact O-N 3.09Å; P79-H82 PolarHBondContact O-CD2 2.87Å; G80-H82 PolarHBondContact O-N 3.3Å; H82-V84 PolarHBondContact O-N 2.97Å; H82-T181 PolarHBondContact CE1-O 3.23Å; H82-T181 WeakPolarHBondContact ND1-CB 3.47Å; H82-T181 PolarHBondContact ND1-O 2.67Å; H82-T181 PolarHBondContact ND1-OG1 3.06Å; H82-Y182 HydrophobicContact CB-CD2 4.29Å; H82-Y182 HydrophobicContact CB-CG 4.31Å; H82-Y182 AromaticContact CD2-CD2 3.55Å; H82-Y182 AromaticContact CG-CD2 3.97Å |
| 83 | K | 95 | Very high | 91.9 | Very high | 65 Ų | 65 | 38.8 Ų | 38.8 | 28% | 0.283 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 125.1 | -179.4 | -66.8 | 175.1 | -173 | 68.7 | 0 | 111.4 | L74 Q77 D81 Y85 S179 | L74-K83 HydrophobicContact CD1-CB 3.86Å; L74-K83 HydrophobicContact CD1-CG 4.16Å; Q77-K83 HydrophobicContact CG-CG 3.93Å; D81-K83 PolarHBondContact O-N 3.27Å; D81-K83 WeakPolarHBondContact OD1-CE 3.36Å; D81-K83 IonicContact OD1-NZ 2.69Å; D81-K83 PolarHBondContact OD1-NZ 2.99Å; D81-K83 IonicContact OD2-NZ 3.38Å; D81-K83 PolarHBondContact OD2-NZ 2.9Å; K83-Y85 HydrophobicContact CB-CE2 3.96Å; K83-S179 WeakPolarHBondContact O-CB 3.23Å; K83-S179 PolarHBondContact O-OG 2.82Å |
| 84 | V | 96.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 130.2 | 175.9 | 174.7 | 0 | 0 | 0 | 0 | 110.2 | V75 G76 L78 H82 Y177 L184 V240 | V75-V84 HydrophobicContact CB-CB 4.49Å; V75-V84 HydrophobicContact CB-CG1 4.26Å; V75-V84 HydrophobicContact CG2-CG1 4.45Å; V75-V84 PolarHBondContact N-O 3.1Å; G76-V84 PolarHBondContact O-N 3.03Å; L78-V84 HydrophobicContact CD1-CG2 3.65Å; L78-V84 HydrophobicContact CG-CG2 3.78Å; H82-V84 PolarHBondContact O-N 2.97Å; V84-Y177 HydrophobicContact CG1-CD1 4.41Å; V84-L184 HydrophobicContact CG1-CD1 3.9Å; V84-L184 HydrophobicContact CG2-CD1 4.3Å; V84-L184 HydrophobicContact CG2-CD2 4.09Å; V84-V240 HydrophobicContact CG1-CB 4.32Å; V84-V240 HydrophobicContact CG1-CG1 4.09Å; V84-V240 HydrophobicContact CG1-CG2 4.38Å |
| 85 | Y | 96.4 | Very high | 90.9 | Very high | 48 Ų | 48 | 35.1 Ų | 35.1 | 19% | 0.188 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 140.4 | 179.7 | -62 | -76.1 | 0 | 0 | 0 | 111.5 | K72 A73 L74 K83 Y177 Y178 | K72-Y85 HydrophobicContact CD-CD1 3.74Å; K72-Y85 HydrophobicContact CD-CE1 4.24Å; K72-Y85 HydrophobicContact CD-CG 3.98Å; K72-Y85 HydrophobicContact CG-CD1 4Å; A73-Y85 CarbonylContact O-C 3.59Å; A73-Y85 WeakPolarHBondContact O-CA 3.33Å; L74-Y85 HydrophobicContact CB-CD1 4.44Å; L74-Y85 HydrophobicContact CB-CE1 4.26Å; L74-Y85 HydrophobicContact CD1-CD1 4.26Å; L74-Y85 HydrophobicContact CD1-CE1 3.82Å; K83-Y85 HydrophobicContact CB-CE2 3.96Å; Y85-Y177 CarbonylContact O-C 3.47Å; Y85-Y177 VanDerWaalsContact O-CA 3.28Å; Y85-Y177 WeakPolarHBondContact O-CA 3.18Å; Y85-Y178 HydrophobicContact CD2-CE2 4.41Å; Y85-Y178 PolarHBondContact N-O 3.17Å; Y85-Y178 PolarHBondContact O-N 2.86Å |
| 86 | K | 95.9 | Very high | 90.3 | Very high | 41 Ų | 41 | 34.5 Ų | 34.5 | 18% | 0.178 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 134.2 | 170.3 | 171.9 | -176.4 | 168.8 | -165.2 | 0 | 109 | K72 A73 V75 T88 D174 F176 Y177 | K72-K86 CarbonylContact C-O 3.55Å; K72-K86 VanDerWaalsContact CA-O 3.25Å; K72-K86 WeakPolarHBondContact CA-O 3.25Å; A73-K86 PolarHBondContact N-O 2.93Å; A73-K86 PolarHBondContact O-N 3.27Å; V75-K86 HydrophobicContact CG2-CB 3.46Å; V75-K86 VanDerWaalsContact CG2-CB 3.46Å; K86-T88 PolarHBondContact O-N 3.47Å; K86-D174 WeakPolarHBondContact CE-O 3.38Å; K86-D174 VanDerWaalsContact CE-OD1 3.3Å; K86-D174 WeakPolarHBondContact CE-OD1 3.46Å; K86-D174 VanDerWaalsContact NZ-CG 3.33Å; K86-D174 IonicContact NZ-OD1 2.73Å; K86-D174 PolarHBondContact NZ-OD1 2.75Å; K86-F176 WeakPolarHBondContact CA-O 3.03Å; K86-Y177 HydrophobicContact CB-CD1 3.86Å; K86-Y177 HydrophobicContact CB-CE1 3.87Å; K86-Y177 HydrophobicContact CD-CE1 4.18Å; K86-Y177 HydrophobicContact CG-CD1 4.37Å; K86-Y177 HydrophobicContact CG-CE1 4.11Å |
| 87 | I | 95.7 | Very high | 89.2 | Confident | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 123.5 | 173.4 | -62.1 | 173.7 | 0 | 0 | 0 | 107.9 | I52 I69 I90 F170 F176 Y178 I235 | I52-I87 HydrophobicContact CD1-CD1 3.93Å; I52-I87 HydrophobicContact CG1-CD1 4.47Å; I69-I87 HydrophobicContact CD1-CD1 3.94Å; I69-I87 HydrophobicContact CD1-CG1 4.18Å; I69-I87 HydrophobicContact CG1-CD1 4.09Å; I69-I87 HydrophobicContact CG1-CG1 4.38Å; I69-I87 HydrophobicContact CG2-CG1 4.26Å; I69-I87 HydrophobicContact CG2-CG2 4.34Å; I87-I90 HydrophobicContact CG2-CG2 3.81Å; I87-F170 HydrophobicContact CD1-CE1 4.4Å; I87-F170 HydrophobicContact CG2-CD1 4.01Å; I87-F176 HydrophobicContact CB-CB 4.24Å; I87-F176 HydrophobicContact CD1-CB 4.2Å; I87-F176 PolarHBondContact N-O 3.21Å; I87-Y178 HydrophobicContact CD1-CD1 4.27Å; I87-Y178 HydrophobicContact CD1-CE1 4.43Å; I87-Y178 HydrophobicContact CG1-CD1 3.93Å; I87-Y178 HydrophobicContact CG1-CE1 3.8Å; I87-I235 HydrophobicContact CD1-CD1 3.8Å; I87-I235 HydrophobicContact CD1-CG1 4.34Å; I87-I235 HydrophobicContact CD1-CG2 4.16Å |
| 88 | T | 92.8 | Very high | 88 | Confident | 45 Ų | 45 | 41.6 Ų | 41.6 | 28% | 0.276 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | -31.3 | -179.2 | 57.6 | 0 | 0 | 0 | 0 | 112.6 | Q71 A73 K86 | Q71-T88 VanDerWaalsContact C-OG1 3.31Å; Q71-T88 PolarHBondContact O-N 2.87Å; Q71-T88 PolarHBondContact O-OG1 3.17Å; Q71-T88 VanDerWaalsContact O-OG1 3.1Å; A73-T88 HydrophobicContact CB-CG2 3.73Å; K86-T88 PolarHBondContact O-N 3.47Å |
| 89 | K | 92 | Very high | 86.6 | Confident | 65 Ų | 65 | 49.7 Ų | 49.7 | 28% | 0.283 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 143.4 | 170.4 | -55.1 | -171.3 | -173.8 | 148.4 | 0 | 111 | R70 Q71 M171 | R70-K89 HydrophobicContact CB-CB 4.17Å; R70-K89 HydrophobicContact CG-CB 4.41Å; R70-K89 PolarHBondContact N-O 2.88Å; Q71-K89 HydrophobicContact CB-CB 4.12Å; Q71-K89 HydrophobicContact CB-CG 4.28Å; Q71-K89 PolarHBondContact N-O 3.46Å; Q71-K89 PolarHBondContact O-N 2.81Å; Q71-K89 VanDerWaalsContact O-N 3.16Å; Q71-K89 VanDerWaalsContact OE1-CD 3.26Å; K89-M171 HydrophobicContact CD-CE 4.41Å; K89-M171 HydrophobicContact CG-CE 4.12Å |
| 90 | I | 93.3 | Very high | 85.5 | Confident | 3 Ų | 3 | 49.5 Ų | 49.5 | 2% | 0.015 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 165.3 | 168.7 | 62.7 | 166.6 | 0 | 0 | 0 | 110.3 | I52 V67 L68 I87 V92 L166 Y167 F170 | I52-I90 HydrophobicContact CD1-CB 4.48Å; I52-I90 HydrophobicContact CD1-CG2 3.48Å; I52-I90 VanDerWaalsContact CD1-CG2 3.48Å; V67-I90 HydrophobicContact CG1-CB 4.39Å; V67-I90 HydrophobicContact CG1-CD1 4.11Å; L68-I90 CarbonylContact O-C 3.56Å; L68-I90 VanDerWaalsContact O-CA 3.26Å; L68-I90 WeakPolarHBondContact O-CA 3.27Å; I87-I90 HydrophobicContact CG2-CG2 3.81Å; I90-V92 HydrophobicContact CD1-CG2 3.95Å; I90-L166 HydrophobicContact CD1-CG 4.22Å; I90-Y167 HydrophobicContact CD1-CD1 3.98Å; I90-Y167 HydrophobicContact CD1-CE1 4.22Å; I90-Y167 HydrophobicContact CG1-CD1 3.64Å; I90-Y167 HydrophobicContact CG1-CE1 3.77Å; I90-F170 HydrophobicContact CD1-CB 4.16Å; I90-F170 HydrophobicContact CD1-CD2 3.71Å; I90-F170 HydrophobicContact CD1-CE2 4.36Å; I90-F170 HydrophobicContact CD1-CG 4.04Å; I90-F170 HydrophobicContact CG1-CB 4.22Å; I90-F170 HydrophobicContact CG1-CG 4.44Å; I90-F170 HydrophobicContact CG2-CB 3.85Å; I90-F170 HydrophobicContact CG2-CD1 3.64Å; I90-F170 HydrophobicContact CG2-CD2 4.25Å; I90-F170 HydrophobicContact CG2-CE1 4.24Å; I90-F170 HydrophobicContact CG2-CG 3.64Å |
| 91 | A | 91.1 | Very high | 84.4 | Confident | 3 Ų | 3 | 54.7 Ų | 54.7 | 3% | 0.025 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 138.9 | 161.8 | 0 | 0 | 0 | 0 | 0 | 108 | V67 L68 R70 L103 L105 | V67-A91 WeakPolarHBondContact CA-O 3.44Å; L68-A91 PolarHBondContact N-O 3.28Å; L68-A91 PolarHBondContact O-N 3.22Å; R70-A91 HydrophobicContact CB-CB 4.17Å; A91-L103 HydrophobicContact CB-CD2 4Å; A91-L105 HydrophobicContact CB-CD2 4.39Å |
| 92 | V | 90 | Very high | 83.2 | Confident | 18 Ų | 18 | 60 Ų | 60 | 11% | 0.109 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 119.1 | 174 | -173.9 | 0 | 0 | 0 | 0 | 107.8 | L66 V67 I90 L163 L166 Y167 | L66-V92 WeakPolarHBondContact O-CA 3.48Å; V67-V92 HydrophobicContact CG1-CG2 4.37Å; V67-V92 HydrophobicContact CG2-CG1 4.43Å; V67-V92 HydrophobicContact CG2-CG2 4.35Å; I90-V92 HydrophobicContact CD1-CG2 3.95Å; V92-L163 HydrophobicContact CB-CD1 3.88Å; V92-L163 HydrophobicContact CG1-CD1 3.93Å; V92-L163 HydrophobicContact CG2-CD1 3.93Å; V92-L166 HydrophobicContact CG2-CD2 3.96Å; V92-Y167 HydrophobicContact CG2-CE1 4.19Å; V92-Y167 HydrophobicContact CG2-CE2 4.48Å; V92-Y167 PolarHBondContact N-OH 3.17Å |
| 93 | I | 88.4 | Confident | 82.2 | Confident | 1 Ų | 1 | 59.4 Ų | 59.4 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 124.6 | -175.4 | -48 | -174.4 | 0 | 0 | 0 | 108.4 | L3 Y10 M45 L66 L68 L95 P100 L103 | L3-I93 HydrophobicContact CD2-CD1 3.62Å; Y10-I93 HydrophobicContact CD1-CG2 4.45Å; Y10-I93 HydrophobicContact CD2-CG2 4.34Å; Y10-I93 HydrophobicContact CE1-CG2 3.8Å; Y10-I93 HydrophobicContact CE2-CG2 3.65Å; Y10-I93 WeakPolarHBondContact OH-CG2 3.45Å; M45-I93 HydrophobicContact CE-CD1 4.31Å; L66-I93 PolarHBondContact N-O 3.34Å; L66-I93 PolarHBondContact O-N 3.33Å; L68-I93 HydrophobicContact CD1-CD1 3.73Å; I93-L95 PolarHBondContact O-N 3.01Å; I93-P100 HydrophobicContact CG2-CB 4.27Å; I93-L103 HydrophobicContact CD1-CD1 3.82Å; I93-L103 HydrophobicContact CG1-CD1 3.78Å; I93-L103 HydrophobicContact CG1-CD2 4.19Å; I93-L103 HydrophobicContact CG2-CD1 4.26Å |
| 94 | P | 85.9 | Confident | 81.1 | Confident | 48 Ų | 48 | 62.5 Ų | 62.5 | 31% | 0.312 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 131.7 | 175.7 | 29.2 | -33.5 | 0 | 0 | 0 | 110.5 | Y10 P63 S96 | Y10-P94 WeakPolarHBondContact CE2-O 3.34Å; Y10-P94 PolarHBondContact OH-O 2.98Å; Y10-P94 VanDerWaalsContact OH-O 3.07Å; P63-P94 HydrophobicContact CB-CB 4.45Å; P63-P94 HydrophobicContact CG-CB 4.32Å; P94-S96 VanDerWaalsContact C-N 3.28Å; P94-S96 PolarHBondContact O-N 3.33Å; P94-S96 VanDerWaalsContact O-N 3.14Å |
| 95 | L | 83.7 | Confident | 80.4 | Confident | 9 Ų | 9 | 63.3 Ų | 63.3 | 5% | 0.047 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 80.9 | 166.7 | -55.5 | -170.9 | 0 | 0 | 0 | 107.7 | Y10 R23 K54 P63 L64 L66 I93 | Y10-L95 HydrophobicContact CD2-CD2 3.49Å; Y10-L95 VanDerWaalsContact CD2-CD2 3.49Å; Y10-L95 HydrophobicContact CE2-CD2 3.63Å; R23-L95 CarbonylContact O-C 3.58Å; K54-L95 HydrophobicContact CD-CD1 4.25Å; P63-L95 WeakPolarHBondContact CB-O 3.5Å; L64-L95 HydrophobicContact CB-CB 4.11Å; L64-L95 HydrophobicContact CB-CD1 3.79Å; L64-L95 HydrophobicContact CB-CG 4.14Å; L64-L95 VanDerWaalsContact O-CB 3.31Å; L64-L95 WeakPolarHBondContact O-CB 3.48Å; L64-L95 WeakPolarHBondContact O-CG 3.41Å; L64-L95 PolarHBondContact O-N 2.82Å; L66-L95 HydrophobicContact CB-CD2 3.94Å; L66-L95 HydrophobicContact CB-CG 4.38Å; I93-L95 PolarHBondContact O-N 3.01Å |
| 96 | S | 80.6 | Confident | 79.7 | Confident | 23 Ų | 23 | 65.7 Ų | 65.7 | 16% | 0.161 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -142.5 | 165.2 | 173.8 | 63.4 | 0 | 0 | 0 | 0 | 110.2 | R23 P94 E98 | R23-S96 VanDerWaalsContact CZ-O 3.27Å; R23-S96 PolarHBondContact NE-O 3.02Å; R23-S96 PolarHBondContact NH2-O 3.47Å; R23-S96 PolarHBondContact O-N 3.43Å; P94-S96 VanDerWaalsContact C-N 3.28Å; P94-S96 PolarHBondContact O-N 3.33Å; P94-S96 VanDerWaalsContact O-N 3.14Å; S96-E98 PolarHBondContact O-N 2.87Å |
| 97 | D | 70.4 | Confident | 79.1 | Confident | 114 Ų | 114 | 67.1 Ų | 67.1 | 61% | 0.61 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -69.8 | -17.8 | 173.5 | -69.8 | -36.2 | 0 | 0 | 0 | 112.8 | R23 | R23-D97 PolarHBondContact NH2-O 3.49Š|
| 98 | E | 66.5 | Low | 78.4 | Confident | 151 Ų | 151 | 67.3 Ų | 67.3 | 71% | 0.706 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -66.2 | 149.1 | 176.6 | -60.3 | -173.6 | 156.7 | 0 | 0 | 111.8 | R23 S96 | R23-E98 PolarHBondContact NH2-O 3.48Å; S96-E98 PolarHBondContact O-N 2.87Å |
| 99 | E | 61.7 | Low | 77.7 | Confident | 174 Ų | 174 | 73.9 Ų | 73.9 | 81% | 0.813 | 36% | 0.36 | S | S | * | . | P | Polyproline II helix | trans | -70.5 | 132.6 | 175.9 | -66.9 | -177.1 | 164.2 | 0 | 0 | 110.5 | ||
| 100 | P | 60.7 | Low | 77 | Confident | 26 Ų | 26 | 77 Ų | 77 | 17% | 0.169 | 37% | 0.373 | C | S | . | . | P | Polyproline II helix | trans | -66.6 | 138.6 | 178.1 | 28 | -33.5 | 0 | 0 | 0 | 110.4 | Q5 M45 I93 L103 | Q5-P100 VanDerWaalsContact OE1-CD 3.23Å; M45-P100 HydrophobicContact CE-CG 3.82Å; I93-P100 HydrophobicContact CG2-CB 4.27Å; P100-L103 HydrophobicContact CB-CD1 3.87Å; P100-L103 HydrophobicContact CG-CD1 4.25Å |
| 101 | Q | 59.3 | Low | 76.1 | Confident | 178 Ų | 178 | 81.3 Ų | 81.3 | 83% | 0.832 | 39% | 0.393 | S | S | * | . | P | Polyproline II helix | trans | -55.2 | 154.1 | 170 | -66.9 | -178.6 | -11.8 | 0 | 0 | 110.8 | L103 | Q101-L103 WeakPolarHBondContact O-CG 3.41Å; Q101-L103 PolarHBondContact O-N 3.46Å |
| 102 | E | 60.7 | Low | 75.3 | Confident | 194 Ų | 194 | 83 Ų | 83 | 91% | 0.907 | 40% | 0.401 | S | S | * | . | trans | -46 | 96.5 | -175.1 | -69 | -172.9 | 144.9 | 0 | 0 | 113.4 | E104 | E102-E104 PolarHBondContact O-N 2.85Å; E102-E104 VanDerWaalsContact O-N 3.16Å | ||
| 103 | L | 69.6 | Low | 73.4 | Confident | 41 Ų | 41 | 91.2 Ų | 91.2 | 22% | 0.215 | 44% | 0.435 | C | S | . | . | trans | -77.2 | 104.1 | 173.3 | -73.4 | 156.5 | 0 | 0 | 0 | 106.8 | M45 A91 I93 P100 Q101 L105 | M45-L103 HydrophobicContact CE-CD1 3.34Å; A91-L103 HydrophobicContact CB-CD2 4Å; I93-L103 HydrophobicContact CD1-CD1 3.82Å; I93-L103 HydrophobicContact CG1-CD1 3.78Å; I93-L103 HydrophobicContact CG1-CD2 4.19Å; I93-L103 HydrophobicContact CG2-CD1 4.26Å; P100-L103 HydrophobicContact CB-CD1 3.87Å; P100-L103 HydrophobicContact CG-CD1 4.25Å; Q101-L103 WeakPolarHBondContact O-CG 3.41Å; Q101-L103 PolarHBondContact O-N 3.46Å; L103-L105 HydrophobicContact CB-CD1 4.37Å; L103-L105 HydrophobicContact CB-CG 4.05Å; L103-L105 PolarHBondContact O-N 3.03Å | ||
| 104 | E | 72.5 | Confident | 71.7 | Confident | 129 Ų | 129 | 94.7 Ų | 94.7 | 60% | 0.603 | 47% | 0.472 | S | S | * | . | trans | -64 | 49.8 | 178.9 | -60.4 | -179.1 | 145.1 | 0 | 0 | 113.6 | R70 E102 | R70-E104 VanDerWaalsContact CZ-CB 3.47Å; R70-E104 IonicContact CZ-OE2 2.8Å; R70-E104 PolarHBondContact NE-O 3.28Å; R70-E104 IonicContact NH1-OE2 2.82Å; R70-E104 PolarHBondContact NH1-OE2 3.2Å; R70-E104 PolarHBondContact NH2-O 2.86Å; R70-E104 IonicContact NH2-OE2 2.85Å; R70-E104 PolarHBondContact NH2-OE2 3.29Å; E102-E104 PolarHBondContact O-N 2.85Å; E102-E104 VanDerWaalsContact O-N 3.16Å | ||
| 105 | L | 81.7 | Confident | 70.2 | Confident | 18 Ų | 18 | 97.3 Ų | 97.3 | 9% | 0.094 | 48% | 0.482 | C | S | . | . | P | Polyproline II helix | trans | -73.4 | 163.3 | 179.8 | -58.8 | -178.3 | 0 | 0 | 0 | 111.2 | L3 M45 V48 R70 A91 L103 | L3-L105 HydrophobicContact CD2-CD1 3.76Å; M45-L105 HydrophobicContact CB-CD1 4.07Å; V48-L105 HydrophobicContact CG1-CD1 4.18Å; V48-L105 HydrophobicContact CG1-CD2 4.02Å; R70-L105 HydrophobicContact CG-CD2 4.01Å; A91-L105 HydrophobicContact CB-CD2 4.39Å; L103-L105 HydrophobicContact CB-CD1 4.37Å; L103-L105 HydrophobicContact CB-CG 4.05Å; L103-L105 PolarHBondContact O-N 3.03Å |
| 106 | E | 81.6 | Confident | 68.3 | Low | 98 Ų | 98 | 104 Ų | 104 | 46% | 0.458 | 52% | 0.518 | S | S | . | . | B | Isolated β-bridge | trans | -79.8 | 128.4 | 173.1 | -65.6 | -175.5 | -162 | 0 | 0 | 109.4 | G46 L47 Q71 C108 | G46-E106 CarbonylContact C-O 3.51Å; G46-E106 VanDerWaalsContact CA-O 3.3Å; G46-E106 WeakPolarHBondContact CA-O 3.47Å; L47-E106 PolarHBondContact N-O 3.29Å; Q71-E106 PolarHBondContact NE2-OE1 3.45Å; E106-C108 PolarHBondContact O-N 3.18Å |
| 107 | L | 82.9 | Confident | 66.4 | Low | 71 Ų | 71 | 111.2 Ų | 111.2 | 37% | 0.372 | 55% | 0.546 | S | S | . | . | P | Polyproline II helix | trans | -64.7 | 133.5 | -171.9 | -60 | 178.5 | 0 | 0 | 0 | 111.2 | K109 H112 I115 | L107-K109 PolarHBondContact O-N 3.42Å; L107-H112 HydrophobicContact CB-CB 3.96Å; L107-H112 WeakPolarHBondContact CD2-ND1 3.37Å; L107-I115 HydrophobicContact CD1-CG2 4.27Å |
| 108 | C | 81.2 | Confident | 64.8 | Low | 4 Ų | 4 | 110.5 Ų | 110.5 | 3% | 0.027 | 55% | 0.55 | C | S | . | . | P | Polyproline II helix | trans | -72.8 | 119.9 | 178.1 | 179.8 | 0 | 0 | 0 | 0 | 110.6 | E2 L47 E106 K110 H111 H112 | E2-C108 VanDerWaalsContact CD-SG 3.59Å; L47-C108 HydrophobicContact CD2-CB 3.96Å; L47-C108 HydrophobicContact CG-CB 4.29Å; E106-C108 PolarHBondContact O-N 3.18Å; C108-K110 PolarHBondContact O-N 2.92Å; C108-H111 PolarHBondContact O-N 2.98Å; C108-H111 VanDerWaalsContact O-N 3.11Å; C108-H112 PolarHBondContact N-ND1 2.9Å; C108-H112 PolarHBondContact O-N 3.4Å |
| 109 | K | 78 | Confident | 63.3 | Low | 183 Ų | 183 | 112.3 Ų | 112.3 | 80% | 0.796 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.9 | -20.7 | -178.2 | -63.9 | -175.2 | 179.5 | -178 | 0 | 114.6 | L107 | L107-K109 PolarHBondContact O-N 3.42Š|
| 110 | K | 78.1 | Confident | 61.7 | Low | 131 Ų | 131 | 113.1 Ų | 113.1 | 57% | 0.57 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.3 | -43.8 | 176.3 | -59.7 | 176.3 | -174.6 | 161.8 | 0 | 112.6 | E2 C108 | E2-K110 VanDerWaalsContact OE1-CE 3.26Å; E2-K110 WeakPolarHBondContact OE1-CE 3.33Å; E2-K110 IonicContact OE1-NZ 2.79Å; E2-K110 PolarHBondContact OE1-NZ 2.97Å; E2-K110 IonicContact OE2-NZ 3.19Å; E2-K110 PolarHBondContact OE2-NZ 2.65Å; C108-K110 PolarHBondContact O-N 2.92Å |
| 111 | H | 74.2 | Confident | 60.2 | Low | 93 Ų | 93 | 117.1 Ų | 117.1 | 43% | 0.431 | 59% | 0.585 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -102.4 | -21.1 | -167.4 | -56.2 | 120.8 | 0 | 0 | 0 | 113.2 | E2 F4 C44 C108 | E2-H111 IonicContact OE2-CE1 2.69Å; E2-H111 PolarHBondContact OE2-CE1 2.9Å; E2-H111 VanDerWaalsContact OE2-CE1 3.27Å; E2-H111 IonicContact OE2-ND1 3.31Å; F4-H111 AromaticContact CE1-CE1 3.8Å; F4-H111 AromaticContact CE1-ND1 3.85Å; F4-H111 AromaticContact CZ-CE1 3.59Å; F4-H111 AromaticContact CZ-ND1 3.91Å; C44-H111 HydrophobicContact CB-CB 3.71Å; C44-H111 PolarHBondContact SG-ND1 2.92Å; C108-H111 PolarHBondContact O-N 2.98Å; C108-H111 VanDerWaalsContact O-N 3.11Å |
| 112 | H | 72.9 | Confident | 58.9 | Low | 39 Ų | 39 | 113.1 Ų | 113.1 | 18% | 0.181 | 58% | 0.583 | C | S | . | * | S | Bend | trans | -111.2 | 37.7 | 178.6 | -56.1 | 157 | 0 | 0 | 0 | 111.5 | C44 L107 C108 G114 I115 | C44-H112 PolarHBondContact O-CE1 2.87Å; C44-H112 PolarHBondContact O-NE2 2.82Å; C44-H112 VanDerWaalsContact O-NE2 3.15Å; L107-H112 HydrophobicContact CB-CB 3.96Å; L107-H112 WeakPolarHBondContact CD2-ND1 3.37Å; C108-H112 PolarHBondContact N-ND1 2.9Å; C108-H112 PolarHBondContact O-N 3.4Å; H112-G114 PolarHBondContact O-N 2.74Å; H112-I115 HydrophobicContact CB-CB 4.49Å; H112-I115 HydrophobicContact CB-CD1 4.2Å; H112-I115 PolarHBondContact O-N 3.47Å |
| 113 | F | 50.8 | Low | 57.5 | Low | 190 Ų | 190 | 113.1 Ų | 113.1 | 83% | 0.833 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.4 | 127.7 | -179.6 | -163.8 | -85.4 | 0 | 0 | 0 | 110.7 | I115 | F113-I115 VanDerWaalsContact C-N 3.31Š|
| 114 | G | 52.7 | Low | 55.5 | Low | 75 Ų | 75 | 115.2 Ų | 115.2 | 77% | 0.773 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 81.6 | 0.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | H112 D116 | H112-G114 PolarHBondContact O-N 2.74Å; G114-D116 PolarHBondContact O-N 2.85Å |
| 115 | I | 55.2 | Low | 53.7 | Low | 103 Ų | 103 | 113.6 Ų | 113.6 | 53% | 0.528 | 60% | 0.601 | S | S | . | * | trans | -90.6 | 92.1 | 167.8 | -54.5 | 178.4 | 0 | 0 | 0 | 107.8 | L107 H112 F113 | L107-I115 HydrophobicContact CD1-CG2 4.27Å; H112-I115 HydrophobicContact CB-CB 4.49Å; H112-I115 HydrophobicContact CB-CD1 4.2Å; H112-I115 PolarHBondContact O-N 3.47Å; F113-I115 VanDerWaalsContact C-N 3.31Å | ||
| 116 | D | 43 | Very low | 51.5 | Low | 149 Ų | 149 | 117.5 Ų | 117.5 | 80% | 0.797 | 62% | 0.622 | S | S | * | * | trans | -58.9 | 151.3 | 163 | -88.4 | -42.6 | 0 | 0 | 0 | 110 | G114 S118 | G114-D116 PolarHBondContact O-N 2.85Å; D116-S118 PolarHBondContact O-N 3.15Å | ||
| 117 | K | 40.1 | Very low | 49.2 | Very low | 175 Ų | 175 | 120.1 Ų | 120.1 | 76% | 0.761 | 64% | 0.635 | S | S | * | * | trans | -61.8 | 103.8 | 171.2 | -83.3 | -175.7 | 174.8 | 177.5 | 0 | 108.7 | E119 | K117-E119 PolarHBondContact O-N 3.14Å; K117-E119 VanDerWaalsContact O-N 3.12Å | ||
| 118 | S | 36.6 | Very low | 47 | Very low | 98 Ų | 98 | 119.7 Ų | 119.7 | 69% | 0.685 | 64% | 0.637 | S | S | * | * | trans | -57 | 117.4 | 166.4 | 46.1 | 0 | 0 | 0 | 0 | 108.8 | D116 K120 | D116-S118 PolarHBondContact O-N 3.15Å; S118-K120 PolarHBondContact O-N 3.34Å | ||
| 119 | E | 34.9 | Very low | 44.8 | Very low | 190 Ų | 190 | 125.4 Ų | 125.4 | 89% | 0.888 | 66% | 0.662 | S | S | * | * | trans | -56.3 | 139.1 | 160.5 | -66.8 | -161.7 | 129.1 | 0 | 0 | 107.9 | K117 P121 | K117-E119 PolarHBondContact O-N 3.14Å; K117-E119 VanDerWaalsContact O-N 3.12Å; E119-P121 VanDerWaalsContact O-N 3.1Å | ||
| 120 | K | 29.8 | Very low | 42.7 | Very low | 191 Ų | 191 | 123.1 Ų | 123.1 | 83% | 0.83 | 66% | 0.657 | S | S | * | * | trans | -44.1 | 117.5 | -164.3 | -65.6 | -179.5 | 177.1 | -174.6 | 0 | 111.4 | S118 A122 | S118-K120 PolarHBondContact O-N 3.34Å; K120-A122 PolarHBondContact O-N 3.1Å | ||
| 121 | P | 29.2 | Very low | 40.6 | Very low | 110 Ų | 110 | 124 Ų | 124 | 71% | 0.714 | 67% | 0.666 | S | S | * | * | trans | -59.8 | 120.1 | 171.2 | 24.9 | -32.2 | 0 | 0 | 0 | 108 | E119 Q123 | E119-P121 VanDerWaalsContact O-N 3.1Å; P121-Q123 PolarHBondContact O-N 3.05Å | ||
| 122 | A | 30.9 | Very low | 38.9 | Very low | 94 Ų | 94 | 126 Ų | 126 | 78% | 0.777 | 67% | 0.673 | S | S | * | * | trans | -59.3 | 132.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | K120 S124 | K120-A122 PolarHBondContact O-N 3.1Å; A122-S124 PolarHBondContact O-N 3.45Å | ||
| 123 | Q | 31 | Very low | 37.1 | Very low | 193 Ų | 193 | 128.5 Ų | 128.5 | 90% | 0.902 | 69% | 0.691 | S | S | * | * | trans | -55.9 | 115.9 | -177.1 | -72 | -179.9 | -23.1 | 0 | 0 | 110.4 | P121 | P121-Q123 PolarHBondContact O-N 3.05Š| ||
| 124 | S | 27.5 | Very low | 36.2 | Very low | 86 Ų | 86 | 126 Ų | 126 | 60% | 0.601 | 69% | 0.686 | S | S | * | * | trans | -64.7 | 132.5 | 175.2 | 64.1 | 0 | 0 | 0 | 0 | 109.5 | A122 D126 | A122-S124 PolarHBondContact O-N 3.45Å; S124-D126 VanDerWaalsContact C-N 3.29Å; S124-D126 PolarHBondContact O-N 3.41Å | ||
| 125 | P | 36.1 | Very low | 35.2 | Very low | 94 Ų | 94 | 126.7 Ų | 126.7 | 61% | 0.61 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -66.8 | -21.4 | -167.2 | -26.7 | 36.4 | 0 | 0 | 0 | 116.4 | S128 | P125-S128 PolarHBondContact O-OG 3.01Š|
| 126 | D | 35.1 | Very low | 34.2 | Very low | 100 Ų | 100 | 129.5 Ų | 129.5 | 54% | 0.535 | 69% | 0.69 | S | S | . | * | S | Bend | trans | -90.8 | -26.7 | -157.1 | -76.9 | -53 | 0 | 0 | 0 | 116.5 | S124 S128 K129 | S124-D126 VanDerWaalsContact C-N 3.29Å; S124-D126 PolarHBondContact O-N 3.41Å; D126-S128 PolarHBondContact O-N 3.48Å; D126-S128 VanDerWaalsContact O-N 3.13Å; D126-K129 WeakPolarHBondContact O-CB 3.49Å; D126-K129 PolarHBondContact O-N 2.88Å; D126-K129 WeakPolarHBondContact OD1-CD 3.34Å; D126-K129 VanDerWaalsContact OD1-CE 3.32Å; D126-K129 WeakPolarHBondContact OD1-CE 3.3Å; D126-K129 IonicContact OD1-NZ 3.46Å; D126-K129 PolarHBondContact OD1-NZ 3.34Å |
| 127 | E | 32.3 | Very low | 34.2 | Very low | 154 Ų | 154 | 129.3 Ų | 129.3 | 72% | 0.72 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -54.3 | -33.4 | 171.4 | -77.8 | -94.7 | 110 | 0 | 0 | 111.6 | K129 L130 | E127-K129 PolarHBondContact O-N 2.91Å; E127-L130 PolarHBondContact O-N 3.3Å |
| 128 | S | 36.8 | Very low | 33.9 | Very low | 61 Ų | 61 | 130.8 Ų | 130.8 | 43% | 0.427 | 69% | 0.694 | S | S | . | * | H | α-helix | trans | -64.6 | -7.9 | -179.8 | 82.6 | 0 | 0 | 0 | 0 | 115.1 | P125 D126 K132 | P125-S128 PolarHBondContact O-OG 3.01Å; D126-S128 PolarHBondContact O-N 3.48Å; D126-S128 VanDerWaalsContact O-N 3.13Å; S128-K132 VanDerWaalsContact O-CD 3.3Å; S128-K132 WeakPolarHBondContact O-CD 3.27Å; S128-K132 VanDerWaalsContact O-CE 3.26Å; S128-K132 WeakPolarHBondContact O-CE 3.38Å; S128-K132 PolarHBondContact O-NZ 2.84Å |
| 129 | K | 34.9 | Very low | 33.9 | Very low | 125 Ų | 125 | 130.5 Ų | 130.5 | 54% | 0.543 | 69% | 0.692 | S | S | . | * | H | α-helix | trans | -97.2 | -35.6 | -179.4 | -63.6 | 172.8 | -175.6 | 166.1 | 0 | 112.6 | D126 E127 K132 | D126-K129 WeakPolarHBondContact O-CB 3.49Å; D126-K129 PolarHBondContact O-N 2.88Å; D126-K129 WeakPolarHBondContact OD1-CD 3.34Å; D126-K129 VanDerWaalsContact OD1-CE 3.32Å; D126-K129 WeakPolarHBondContact OD1-CE 3.3Å; D126-K129 IonicContact OD1-NZ 3.46Å; D126-K129 PolarHBondContact OD1-NZ 3.34Å; E127-K129 PolarHBondContact O-N 2.91Å; K129-K132 PolarHBondContact O-N 2.87Å |
| 130 | L | 34.1 | Very low | 34.1 | Very low | 134 Ų | 134 | 129 Ų | 129 | 70% | 0.702 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -70.8 | -42.4 | -173.7 | -144.1 | 76.6 | 0 | 0 | 0 | 112.5 | E127 K132 T133 | E127-L130 PolarHBondContact O-N 3.3Å; L130-K132 PolarHBondContact O-N 3.29Å; L130-T133 PolarHBondContact O-N 3.19Å |
| 131 | M | 34.1 | Very low | 34.5 | Very low | 150 Ų | 150 | 126.4 Ų | 126.4 | 74% | 0.739 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -63.3 | -22.9 | 177.8 | -82.2 | -74.7 | -130.1 | 0 | 0 | 114.4 | S135 | M131-S135 PolarHBondContact O-OG 3.18Å |
| 132 | K | 38 | Very low | 34.7 | Very low | 134 Ų | 134 | 124.3 Ų | 124.3 | 58% | 0.583 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -79.8 | -21.7 | -179.6 | -70.8 | 175.6 | -175.5 | 140.3 | 0 | 113.3 | S128 K129 L130 S135 | S128-K132 VanDerWaalsContact O-CD 3.3Å; S128-K132 WeakPolarHBondContact O-CD 3.27Å; S128-K132 VanDerWaalsContact O-CE 3.26Å; S128-K132 WeakPolarHBondContact O-CE 3.38Å; S128-K132 PolarHBondContact O-NZ 2.84Å; K129-K132 PolarHBondContact O-N 2.87Å; L130-K132 PolarHBondContact O-N 3.29Å; K132-S135 PolarHBondContact O-OG 2.9Å |
| 133 | T | 35.3 | Very low | 35.4 | Very low | 93 Ų | 93 | 126.5 Ų | 126.5 | 57% | 0.571 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -81.9 | -41 | 179.1 | -46.3 | 0 | 0 | 0 | 0 | 111.5 | L130 S135 Q136 | L130-T133 PolarHBondContact O-N 3.19Å; T133-S135 VanDerWaalsContact C-N 3.26Å; T133-S135 PolarHBondContact O-N 3.44Å; T133-Q136 PolarHBondContact O-N 2.55Å |
| 134 | L | 32.4 | Very low | 36 | Very low | 138 Ų | 138 | 122.2 Ų | 122.2 | 72% | 0.723 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -68.5 | -21.7 | -180 | -91.3 | 163.5 | 0 | 0 | 0 | 114.1 | ||
| 135 | S | 32.4 | Very low | 37 | Very low | 89 Ų | 89 | 122.5 Ų | 122.5 | 62% | 0.622 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.4 | -6.3 | -178.1 | 36.4 | 0 | 0 | 0 | 0 | 114.5 | M131 K132 T133 | M131-S135 PolarHBondContact O-OG 3.18Å; K132-S135 PolarHBondContact O-OG 2.9Å; T133-S135 VanDerWaalsContact C-N 3.26Å; T133-S135 PolarHBondContact O-N 3.44Å |
| 136 | Q | 34.8 | Very low | 37.5 | Very low | 161 Ų | 161 | 126.3 Ų | 126.3 | 75% | 0.752 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -93.5 | -16.8 | -178.7 | -68.7 | -170.1 | -19.6 | 0 | 0 | 115.1 | T133 K138 | T133-Q136 PolarHBondContact O-N 2.55Å; Q136-K138 PolarHBondContact O-N 3.19Å |
| 137 | I | 41.6 | Very low | 38.1 | Very low | 146 Ų | 146 | 128.7 Ų | 128.7 | 75% | 0.749 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -99.5 | 25.8 | -171.7 | -34.2 | -176.2 | 0 | 0 | 0 | 112.9 | ||
| 138 | K | 35.1 | Very low | 38.7 | Very low | 205 Ų | 205 | 129.2 Ų | 129.2 | 89% | 0.891 | 68% | 0.676 | S | S | * | * | trans | -136.3 | 72.5 | 173.1 | -74.2 | -170.3 | 178.1 | 176.7 | 0 | 112.7 | Q136 | Q136-K138 PolarHBondContact O-N 3.19Š| ||
| 139 | S | 36.4 | Very low | 39.7 | Very low | 92 Ų | 92 | 130.6 Ų | 130.6 | 64% | 0.643 | 68% | 0.682 | S | S | * | * | trans | -141.1 | 154.8 | 157.4 | 69.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 140 | N | 38.3 | Very low | 40.6 | Very low | 158 Ų | 158 | 130.4 Ų | 130.4 | 85% | 0.845 | 68% | 0.681 | S | S | * | * | trans | 69.6 | 110.1 | -166.9 | -45 | -37 | 0 | 0 | 0 | 112.1 | ||||
| 141 | V | 38.1 | Very low | 41.8 | Very low | 137 Ų | 137 | 128.1 Ų | 128.1 | 83% | 0.83 | 67% | 0.667 | S | S | * | * | S | Bend | cis | -128.6 | 150.8 | 16.6 | 66.8 | 0 | 0 | 0 | 0 | 113.1 | ||
| 142 | S | 34.7 | Very low | 43.3 | Very low | 66 Ų | 66 | 126 Ų | 126 | 46% | 0.462 | 66% | 0.659 | S | S | . | * | trans | 160.6 | 129.5 | 142 | 48.4 | 0 | 0 | 0 | 0 | 111.1 | I145 | S142-I145 VanDerWaalsContact OG-CD1 3.28Å; S142-I145 WeakPolarHBondContact OG-CD1 3.23Å | ||
| 143 | V | 45.5 | Very low | 44.8 | Very low | 141 Ų | 141 | 126.8 Ų | 126.8 | 86% | 0.855 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -115 | 68.1 | 176.2 | -173.1 | 0 | 0 | 0 | 0 | 109.3 | ||
| 144 | P | 42.4 | Very low | 46.4 | Very low | 102 Ų | 102 | 127.5 Ų | 127.5 | 66% | 0.662 | 66% | 0.659 | S | S | * | * | S | Bend | -128.8 | -16.9 | 128.6 | 3 | 18 | 0 | 0 | 0 | 114 | K146 | P144-K146 VanDerWaalsContact C-N 3.29Å; P144-K146 PolarHBondContact O-N 3.46Å; P144-K146 VanDerWaalsContact O-N 3.14Å | |
| 145 | I | 48.7 | Very low | 48.1 | Very low | 92 Ų | 92 | 123.9 Ų | 123.9 | 47% | 0.472 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -63.2 | -29.5 | -162 | -63.5 | -172.8 | 0 | 0 | 0 | 113.9 | S142 K147 K148 V149 | S142-I145 VanDerWaalsContact OG-CD1 3.28Å; S142-I145 WeakPolarHBondContact OG-CD1 3.23Å; I145-K147 PolarHBondContact O-N 3.41Å; I145-K147 VanDerWaalsContact O-N 3.08Å; I145-K148 PolarHBondContact O-N 3.34Å; I145-V149 HydrophobicContact CG2-CG2 3.58Å; I145-V149 PolarHBondContact O-N 3.03Å; I145-V149 VanDerWaalsContact O-N 3.11Å |
| 146 | K | 46.7 | Very low | 50.1 | Low | 175 Ų | 175 | 123.3 Ų | 123.3 | 76% | 0.761 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -56.2 | -29.6 | -174.5 | -69.2 | -173.2 | 177.6 | -178.6 | 0 | 114.5 | P144 K150 | P144-K146 VanDerWaalsContact C-N 3.29Å; P144-K146 PolarHBondContact O-N 3.46Å; P144-K146 VanDerWaalsContact O-N 3.14Å; K146-K150 PolarHBondContact O-N 2.78Å |
| 147 | K | 47 | Very low | 52.1 | Low | 150 Ų | 150 | 122.5 Ų | 122.5 | 65% | 0.652 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -74.1 | -51 | 178.9 | -153.5 | -167.4 | 178.2 | -154.2 | 0 | 111.5 | I145 V149 K150 E151 | I145-K147 PolarHBondContact O-N 3.41Å; I145-K147 VanDerWaalsContact O-N 3.08Å; K147-V149 VanDerWaalsContact C-N 3.31Å; K147-V149 PolarHBondContact O-N 3.33Å; K147-K150 PolarHBondContact O-N 2.82Å; K147-K150 VanDerWaalsContact O-N 3.08Å; K147-E151 WeakPolarHBondContact CD-OE1 3.23Å; K147-E151 WeakPolarHBondContact CE-OE1 3.41Å; K147-E151 WeakPolarHBondContact CG-OE1 3.3Å; K147-E151 IonicContact NZ-OE1 2.76Å; K147-E151 PolarHBondContact NZ-OE1 2.85Å; K147-E151 WeakPolarHBondContact O-CG 3.4Å; K147-E151 PolarHBondContact O-N 2.9Å |
| 148 | K | 46.3 | Very low | 53.8 | Low | 165 Ų | 165 | 116 Ų | 116 | 72% | 0.717 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -61.1 | -36.5 | 179.4 | -166.5 | 173.1 | -177.1 | 178.7 | 0 | 112.5 | I145 N152 | I145-K148 PolarHBondContact O-N 3.34Å; K148-N152 WeakPolarHBondContact O-CB 3.26Å; K148-N152 PolarHBondContact O-N 2.84Å |
| 149 | V | 56.3 | Low | 55.9 | Low | 90 Ų | 90 | 108.2 Ų | 108.2 | 55% | 0.545 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -67.2 | -37.8 | 175 | 171.1 | 0 | 0 | 0 | 0 | 112.3 | I145 K147 K153 | I145-V149 HydrophobicContact CG2-CG2 3.58Å; I145-V149 PolarHBondContact O-N 3.03Å; I145-V149 VanDerWaalsContact O-N 3.11Å; K147-V149 VanDerWaalsContact C-N 3.31Å; K147-V149 PolarHBondContact O-N 3.33Å; V149-K153 PolarHBondContact O-N 3.04Å |
| 150 | K | 55.3 | Low | 58 | Low | 121 Ų | 121 | 111.1 Ų | 111.1 | 53% | 0.526 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -66.9 | -47.5 | 175.1 | -178.6 | 177.7 | 170.5 | 178.3 | 0 | 111.2 | K146 K147 N152 K153 E154 | K146-K150 PolarHBondContact O-N 2.78Å; K147-K150 PolarHBondContact O-N 2.82Å; K147-K150 VanDerWaalsContact O-N 3.08Å; K150-N152 VanDerWaalsContact C-N 3.29Å; K150-N152 PolarHBondContact O-N 2.81Å; K150-K153 PolarHBondContact O-N 2.91Å; K150-E154 WeakPolarHBondContact CE-OE1 3.38Å; K150-E154 IonicContact NZ-OE1 2.69Å; K150-E154 PolarHBondContact O-N 2.89Å |
| 151 | E | 59 | Low | 60.1 | Low | 86 Ų | 86 | 106.5 Ų | 106.5 | 40% | 0.402 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -58.6 | -40 | 178.4 | -70.4 | 160.3 | 176.7 | 0 | 0 | 111.3 | K147 E154 K155 | K147-E151 WeakPolarHBondContact CD-OE1 3.23Å; K147-E151 WeakPolarHBondContact CE-OE1 3.41Å; K147-E151 WeakPolarHBondContact CG-OE1 3.3Å; K147-E151 IonicContact NZ-OE1 2.76Å; K147-E151 PolarHBondContact NZ-OE1 2.85Å; K147-E151 WeakPolarHBondContact O-CG 3.4Å; K147-E151 PolarHBondContact O-N 2.9Å; E151-E154 PolarHBondContact O-N 2.76Å; E151-K155 PolarHBondContact O-N 2.99Å |
| 152 | N | 64.7 | Low | 62.4 | Low | 106 Ų | 106 | 100 Ų | 100 | 57% | 0.567 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -65.9 | -40.7 | 176.9 | -149.8 | 61.3 | 0 | 0 | 0 | 113 | K148 K150 E154 K155 E156 | K148-N152 WeakPolarHBondContact O-CB 3.26Å; K148-N152 PolarHBondContact O-N 2.84Å; K150-N152 VanDerWaalsContact C-N 3.29Å; K150-N152 PolarHBondContact O-N 2.81Å; N152-E154 VanDerWaalsContact C-N 3.3Å; N152-E154 PolarHBondContact O-N 2.87Å; N152-K155 WeakPolarHBondContact O-CB 3.28Å; N152-K155 PolarHBondContact O-N 2.9Å; N152-E156 PolarHBondContact O-N 3.02Å |
| 153 | K | 70.6 | Confident | 64.9 | Low | 150 Ų | 150 | 99.2 Ų | 99.2 | 65% | 0.652 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -67.7 | -29.2 | 176.1 | -174.5 | 171.2 | -178 | 172.2 | 0 | 112.8 | V149 K150 R157 | V149-K153 PolarHBondContact O-N 3.04Å; K150-K153 PolarHBondContact O-N 2.91Å; K153-R157 WeakPolarHBondContact O-CB 3.4Å; K153-R157 PolarHBondContact O-N 2.89Å; K153-R157 VanDerWaalsContact O-N 3.16Å |
| 154 | E | 67.8 | Low | 66.9 | Low | 107 Ų | 107 | 96.5 Ų | 96.5 | 50% | 0.5 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -74.9 | -38.3 | 174.5 | -72.7 | 174.2 | 171.4 | 0 | 0 | 111.5 | K150 E151 N152 R157 L158 | K150-E154 WeakPolarHBondContact CE-OE1 3.38Å; K150-E154 IonicContact NZ-OE1 2.69Å; K150-E154 PolarHBondContact O-N 2.89Å; E151-E154 PolarHBondContact O-N 2.76Å; N152-E154 VanDerWaalsContact C-N 3.3Å; N152-E154 PolarHBondContact O-N 2.87Å; E154-R157 PolarHBondContact O-N 2.84Å; E154-L158 PolarHBondContact O-N 2.92Å |
| 155 | K | 69 | Low | 69.1 | Low | 63 Ų | 63 | 92 Ų | 92 | 27% | 0.274 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -57.7 | -53.1 | 168.4 | -74.8 | -174.8 | 172.3 | -170.6 | 0 | 112.2 | D61 E151 N152 R157 L158 E159 | D61-K155 IonicContact OD2-NZ 2.88Å; D61-K155 PolarHBondContact OD2-NZ 3.42Å; E151-K155 PolarHBondContact O-N 2.99Å; N152-K155 WeakPolarHBondContact O-CB 3.28Å; N152-K155 PolarHBondContact O-N 2.9Å; K155-R157 VanDerWaalsContact C-N 3.28Å; K155-R157 PolarHBondContact O-N 3Å; K155-L158 WeakPolarHBondContact O-CB 3.44Å; K155-L158 PolarHBondContact O-N 2.85Å; K155-E159 PolarHBondContact O-N 2.99Å |
| 156 | E | 73.8 | Confident | 71.1 | Confident | 77 Ų | 77 | 87.6 Ų | 87.6 | 36% | 0.36 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -57.4 | -39.2 | 180 | -173.3 | -164.4 | 180 | 0 | 0 | 112.2 | N152 L158 R160 | N152-E156 PolarHBondContact O-N 3.02Å; E156-L158 VanDerWaalsContact C-N 3.34Å; E156-L158 PolarHBondContact O-N 2.88Å; E156-R160 VanDerWaalsContact O-CG 3.3Å; E156-R160 WeakPolarHBondContact O-CG 3.41Å; E156-R160 PolarHBondContact O-N 3.29Å; E156-R160 VanDerWaalsContact O-N 3.08Å; E156-R160 IonicContact OE1-CZ 2.74Å; E156-R160 VanDerWaalsContact OE1-CZ 3.27Å; E156-R160 IonicContact OE1-NE 2.61Å; E156-R160 IonicContact OE1-NH2 3.01Å; E156-R160 PolarHBondContact OE1-NH2 3.21Å |
| 157 | R | 77.7 | Confident | 73.1 | Confident | 144 Ų | 144 | 82.3 Ų | 82.3 | 54% | 0.543 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -66.1 | -35.4 | 176.1 | -169.3 | -176.9 | -172.3 | -157.8 | 2.7 | 112.4 | K153 E154 K155 R161 | K153-R157 WeakPolarHBondContact O-CB 3.4Å; K153-R157 PolarHBondContact O-N 2.89Å; K153-R157 VanDerWaalsContact O-N 3.16Å; E154-R157 PolarHBondContact O-N 2.84Å; K155-R157 VanDerWaalsContact C-N 3.28Å; K155-R157 PolarHBondContact O-N 3Å; R157-R161 WeakPolarHBondContact O-CG 3.49Å; R157-R161 PolarHBondContact O-N 2.98Å |
| 158 | L | 76.8 | Confident | 75.1 | Confident | 8 Ų | 8 | 77.4 Ų | 77.4 | 4% | 0.042 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -73.6 | -44 | 176.2 | 166.9 | 55.2 | 0 | 0 | 0 | 111.7 | H58 E154 K155 E156 R160 R161 L162 Y558 L575 F579 | H58-L158 WeakPolarHBondContact CD2-CD2 3.43Å; H58-L158 WeakPolarHBondContact NE2-CD2 3.43Å; E154-L158 PolarHBondContact O-N 2.92Å; K155-L158 WeakPolarHBondContact O-CB 3.44Å; K155-L158 PolarHBondContact O-N 2.85Å; E156-L158 VanDerWaalsContact C-N 3.34Å; E156-L158 PolarHBondContact O-N 2.88Å; L158-R160 VanDerWaalsContact C-N 3.33Å; L158-R160 PolarHBondContact O-N 3.46Å; L158-R161 CarbonylContact O-C 3.58Å; L158-R161 WeakPolarHBondContact O-CA 3.49Å; L158-R161 WeakPolarHBondContact O-CB 3.27Å; L158-R161 PolarHBondContact O-N 2.81Å; L158-L162 HydrophobicContact CD1-CD1 3.73Å; L158-L162 HydrophobicContact CD1-CD2 4.3Å; L158-L162 HydrophobicContact CD1-CG 3.71Å; L158-L162 HydrophobicContact CG-CD1 4.19Å; L158-L162 PolarHBondContact O-N 3.03Å; L158-Y558 HydrophobicContact CD1-CD1 4.27Å; L158-Y558 HydrophobicContact CD1-CE1 4.04Å; L158-L575 HydrophobicContact CD1-CD1 4.45Å; L158-F579 HydrophobicContact CB-CE2 4.42Å; L158-F579 HydrophobicContact CB-CZ 3.89Å; L158-F579 HydrophobicContact CD1-CE2 3.75Å; L158-F579 HydrophobicContact CD1-CZ 3.67Å; L158-F579 HydrophobicContact CD2-CE2 3.58Å; L158-F579 HydrophobicContact CD2-CZ 3.92Å; L158-F579 HydrophobicContact CG-CE2 4.12Å; L158-F579 HydrophobicContact CG-CZ 4.02Å |
| 159 | E | 78.1 | Confident | 77.2 | Confident | 43 Ų | 43 | 69.9 Ų | 69.9 | 20% | 0.201 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -54.5 | -49.2 | 174.2 | 179 | 173.9 | -146.9 | 0 | 0 | 111.3 | L57 L62 K155 R161 L162 L163 | L57-E159 HydrophobicContact CD1-CG 4.26Å; L62-E159 HydrophobicContact CD1-CB 4.39Å; L62-E159 HydrophobicContact CD1-CG 4.45Å; K155-E159 PolarHBondContact O-N 2.99Å; E159-R161 PolarHBondContact O-N 3.21Å; E159-L162 PolarHBondContact O-N 3.17Å; E159-L162 VanDerWaalsContact O-N 3.17Å; E159-L163 WeakPolarHBondContact O-CB 3.31Å; E159-L163 PolarHBondContact O-N 3.08Å |
| 160 | R | 81.9 | Confident | 78.7 | Confident | 152 Ų | 152 | 65.7 Ų | 65.7 | 57% | 0.574 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -57.8 | -43.3 | 173.3 | -68.4 | 172.7 | -174.6 | -158.7 | 1.8 | 112.4 | E156 L158 L162 L163 D164 | E156-R160 VanDerWaalsContact O-CG 3.3Å; E156-R160 WeakPolarHBondContact O-CG 3.41Å; E156-R160 PolarHBondContact O-N 3.29Å; E156-R160 VanDerWaalsContact O-N 3.08Å; E156-R160 IonicContact OE1-CZ 2.74Å; E156-R160 VanDerWaalsContact OE1-CZ 3.27Å; E156-R160 IonicContact OE1-NE 2.61Å; E156-R160 IonicContact OE1-NH2 3.01Å; E156-R160 PolarHBondContact OE1-NH2 3.21Å; L158-R160 VanDerWaalsContact C-N 3.33Å; L158-R160 PolarHBondContact O-N 3.46Å; R160-L162 PolarHBondContact O-N 3.38Å; R160-L163 PolarHBondContact O-N 2.89Å; R160-D164 VanDerWaalsContact O-CB 3.24Å; R160-D164 WeakPolarHBondContact O-CB 3.45Å; R160-D164 PolarHBondContact O-N 3.44Å |
| 161 | R | 82.8 | Confident | 80.2 | Confident | 61 Ų | 61 | 63.4 Ų | 63.4 | 23% | 0.23 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.6 | -37.9 | 175.8 | -80.4 | 174.7 | 167.5 | -174.1 | -5.4 | 112.7 | R157 L158 E159 D164 E165 Y558 E582 | R157-R161 WeakPolarHBondContact O-CG 3.49Å; R157-R161 PolarHBondContact O-N 2.98Å; L158-R161 CarbonylContact O-C 3.58Å; L158-R161 WeakPolarHBondContact O-CA 3.49Å; L158-R161 WeakPolarHBondContact O-CB 3.27Å; L158-R161 PolarHBondContact O-N 2.81Å; E159-R161 PolarHBondContact O-N 3.21Å; R161-D164 WeakPolarHBondContact O-CB 3.43Å; R161-E165 PolarHBondContact O-N 2.87Å; R161-Y558 HydrophobicContact CB-CD1 4.35Å; R161-Y558 HydrophobicContact CB-CE1 4.43Å; R161-Y558 PolarHBondContact NH1-OH 3.11Å; R161-E582 IonicContact CZ-OE2 2.77Å; R161-E582 IonicContact NH1-OE1 2.84Å; R161-E582 IonicContact NH1-OE2 2.85Å; R161-E582 PolarHBondContact NH1-OE2 3.13Å; R161-E582 IonicContact NH2-OE2 3.23Å; R161-E582 PolarHBondContact NH2-OE2 3.06Å; R161-E582 VanDerWaalsContact NH2-OE2 3.09Å |
| 162 | L | 85.6 | Confident | 81.3 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -77.2 | -39.1 | 179.1 | -67.6 | 175.5 | 0 | 0 | 0 | 112 | L57 L158 E159 R160 E165 L166 Y558 A561 V562 L565 L575 | L57-L162 HydrophobicContact CD2-CB 4.4Å; L57-L162 WeakPolarHBondContact O-CD1 3.44Å; L158-L162 HydrophobicContact CD1-CD1 3.73Å; L158-L162 HydrophobicContact CD1-CD2 4.3Å; L158-L162 HydrophobicContact CD1-CG 3.71Å; L158-L162 HydrophobicContact CG-CD1 4.19Å; L158-L162 PolarHBondContact O-N 3.03Å; E159-L162 PolarHBondContact O-N 3.17Å; E159-L162 VanDerWaalsContact O-N 3.17Å; R160-L162 PolarHBondContact O-N 3.38Å; L162-E165 PolarHBondContact O-N 2.88Å; L162-L166 WeakPolarHBondContact O-CB 3.35Å; L162-L166 PolarHBondContact O-N 2.78Å; L162-Y558 HydrophobicContact CD2-CD1 4.13Å; L162-A561 HydrophobicContact CD2-CB 4.1Å; L162-V562 HydrophobicContact CB-CG2 4.31Å; L162-V562 HydrophobicContact CD2-CG2 4.02Å; L162-V562 WeakPolarHBondContact O-CG2 3.21Å; L162-L565 HydrophobicContact CD1-CD1 4.48Å; L162-L575 HydrophobicContact CD2-CD1 4.36Å |
| 163 | L | 86.8 | Confident | 81.7 | Confident | 50 Ų | 50 | 58.4 Ų | 58.4 | 26% | 0.262 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -61.9 | -43.8 | 173.2 | -177.6 | 60.1 | 0 | 0 | 0 | 111.3 | L57 V92 E159 R160 E165 L166 Y167 | L57-L163 HydrophobicContact CD1-CB 4.09Å; L57-L163 HydrophobicContact CD1-CD1 4.38Å; V92-L163 HydrophobicContact CB-CD1 3.88Å; V92-L163 HydrophobicContact CG1-CD1 3.93Å; V92-L163 HydrophobicContact CG2-CD1 3.93Å; E159-L163 WeakPolarHBondContact O-CB 3.31Å; E159-L163 PolarHBondContact O-N 3.08Å; R160-L163 PolarHBondContact O-N 2.89Å; L163-E165 PolarHBondContact O-N 3.21Å; L163-L166 HydrophobicContact CD1-CD2 4.45Å; L163-L166 WeakPolarHBondContact O-CB 3.39Å; L163-L166 PolarHBondContact O-N 2.86Å; L163-Y167 HydrophobicContact CD1-CD2 4.05Å; L163-Y167 HydrophobicContact CD1-CE2 3.59Å; L163-Y167 HydrophobicContact CD2-CE2 4.26Å; L163-Y167 HydrophobicContact CG-CD2 3.99Å; L163-Y167 HydrophobicContact CG-CE2 3.69Å; L163-Y167 VanDerWaalsContact O-CD2 3.24Å; L163-Y167 WeakPolarHBondContact O-CD2 3.4Å; L163-Y167 PolarHBondContact O-N 3.44Å |
| 164 | D | 88.1 | Confident | 82.4 | Confident | 84 Ų | 84 | 53.8 Ų | 53.8 | 45% | 0.449 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -52 | -50.4 | 169.6 | -106.1 | 29.6 | 0 | 0 | 0 | 112.3 | R160 R161 Y167 K168 | R160-D164 VanDerWaalsContact O-CB 3.24Å; R160-D164 WeakPolarHBondContact O-CB 3.45Å; R160-D164 PolarHBondContact O-N 3.44Å; R161-D164 WeakPolarHBondContact O-CB 3.43Å; D164-Y167 PolarHBondContact O-N 3.22Å; D164-K168 WeakPolarHBondContact O-CD 3.05Å; D164-K168 WeakPolarHBondContact O-CE 3.49Å; D164-K168 WeakPolarHBondContact O-CG 3.38Å; D164-K168 PolarHBondContact O-N 3.2Å; D164-K168 IonicContact OD2-NZ 3.96Å; D164-K168 PolarHBondContact OD2-NZ 2.87Å; D164-K168 VanDerWaalsContact OD2-NZ 3.16Å |
| 165 | E | 87.8 | Confident | 83.4 | Confident | 8 Ų | 8 | 48.7 Ų | 48.7 | 4% | 0.037 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -72.5 | -28.3 | 179.9 | -70.2 | -53.9 | 132.3 | 0 | 0 | 112.8 | R161 L162 L163 K168 V169 R555 R559 V562 | R161-E165 PolarHBondContact O-N 2.87Å; L162-E165 PolarHBondContact O-N 2.88Å; L163-E165 PolarHBondContact O-N 3.21Å; E165-K168 CarbonylContact O-C 3.45Å; E165-K168 PolarHBondContact O-N 3.36Å; E165-K168 WeakPolarHBondContact OE1-CD 3.38Å; E165-K168 IonicContact OE1-NZ 2.94Å; E165-K168 PolarHBondContact OE1-NZ 3.28Å; E165-V169 VanDerWaalsContact O-CB 3.26Å; E165-V169 WeakPolarHBondContact O-CB 3.4Å; E165-V169 WeakPolarHBondContact O-CG2 3.48Å; E165-V169 PolarHBondContact O-N 3.07Å; E165-R555 VanDerWaalsContact CD-NH2 3.31Å; E165-R555 IonicContact OE1-CZ 3.82Å; E165-R555 VanDerWaalsContact OE1-CZ 3.27Å; E165-R555 IonicContact OE1-NE 2.65Å; E165-R555 PolarHBondContact OE1-NE 3.12Å; E165-R555 IonicContact OE1-NH2 2.71Å; E165-R555 PolarHBondContact OE1-NH2 3.46Å; E165-R555 IonicContact OE2-CZ 2.62Å; E165-R555 IonicContact OE2-NE 3.27Å; E165-R555 PolarHBondContact OE2-NE 3.47Å; E165-R555 IonicContact OE2-NH2 3.57Å; E165-R555 PolarHBondContact OE2-NH2 3.5Å; E165-R559 IonicContact OE2-NE 2.65Å; E165-V562 HydrophobicContact CB-CG2 4.08Å |
| 166 | L | 90.4 | Very high | 84.7 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64 | -48.3 | 170.8 | 178.2 | 64.8 | 0 | 0 | 0 | 111.2 | I55 L57 I90 V92 L162 L163 K168 V169 F170 V562 M566 | I55-L166 HydrophobicContact CD1-CD1 4.24Å; I55-L166 HydrophobicContact CD1-CD2 4.23Å; I55-L166 HydrophobicContact CG2-CD2 4.17Å; L57-L166 HydrophobicContact CD2-CD2 4.39Å; I90-L166 HydrophobicContact CD1-CG 4.22Å; V92-L166 HydrophobicContact CG2-CD2 3.96Å; L162-L166 WeakPolarHBondContact O-CB 3.35Å; L162-L166 PolarHBondContact O-N 2.78Å; L163-L166 HydrophobicContact CD1-CD2 4.45Å; L163-L166 WeakPolarHBondContact O-CB 3.39Å; L163-L166 PolarHBondContact O-N 2.86Å; L166-K168 PolarHBondContact O-N 3.07Å; L166-V169 PolarHBondContact O-N 3.32Å; L166-V169 VanDerWaalsContact O-N 3.14Å; L166-F170 HydrophobicContact CD1-CD2 4.11Å; L166-F170 HydrophobicContact CD1-CE2 3.88Å; L166-F170 PolarHBondContact O-N 3.16Å; L166-V562 HydrophobicContact CB-CG1 4.03Å; L166-V562 HydrophobicContact CD1-CG1 3.83Å; L166-M566 HydrophobicContact CD1-CG 4.46Å; L166-M566 HydrophobicContact CD1-SD 4.1Å |
| 167 | Y | 90.3 | Very high | 85.8 | Confident | 63 Ų | 63 | 42.3 Ų | 42.3 | 25% | 0.247 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -57.2 | -47.8 | 172.8 | -79.5 | -63.3 | 0 | 0 | 0 | 111.1 | I90 V92 L163 D164 V169 F170 M171 | I90-Y167 HydrophobicContact CD1-CD1 3.98Å; I90-Y167 HydrophobicContact CD1-CE1 4.22Å; I90-Y167 HydrophobicContact CG1-CD1 3.64Å; I90-Y167 HydrophobicContact CG1-CE1 3.77Å; V92-Y167 HydrophobicContact CG2-CE1 4.19Å; V92-Y167 HydrophobicContact CG2-CE2 4.48Å; V92-Y167 PolarHBondContact N-OH 3.17Å; L163-Y167 HydrophobicContact CD1-CD2 4.05Å; L163-Y167 HydrophobicContact CD1-CE2 3.59Å; L163-Y167 HydrophobicContact CD2-CE2 4.26Å; L163-Y167 HydrophobicContact CG-CD2 3.99Å; L163-Y167 HydrophobicContact CG-CE2 3.69Å; L163-Y167 VanDerWaalsContact O-CD2 3.24Å; L163-Y167 WeakPolarHBondContact O-CD2 3.4Å; L163-Y167 PolarHBondContact O-N 3.44Å; D164-Y167 PolarHBondContact O-N 3.22Å; Y167-V169 VanDerWaalsContact C-N 3.29Å; Y167-V169 PolarHBondContact O-N 3.49Å; Y167-F170 PolarHBondContact O-N 3.19Å; Y167-M171 HydrophobicContact CD1-SD 3.76Å; Y167-M171 HydrophobicContact CG-SD 4.37Å; Y167-M171 VanDerWaalsContact O-CB 3.27Å; Y167-M171 WeakPolarHBondContact O-CB 3.08Å; Y167-M171 WeakPolarHBondContact O-CG 3.27Å; Y167-M171 PolarHBondContact O-N 3.42Å |
| 168 | K | 88.8 | Confident | 86.7 | Confident | 48 Ų | 48 | 35.5 Ų | 35.5 | 21% | 0.209 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -66.7 | -24.6 | 177 | -65.3 | 166.4 | -140.7 | 163.5 | 0 | 113.8 | D164 E165 L166 D172 R555 R559 | D164-K168 WeakPolarHBondContact O-CD 3.05Å; D164-K168 WeakPolarHBondContact O-CE 3.49Å; D164-K168 WeakPolarHBondContact O-CG 3.38Å; D164-K168 PolarHBondContact O-N 3.2Å; D164-K168 IonicContact OD2-NZ 3.96Å; D164-K168 PolarHBondContact OD2-NZ 2.87Å; D164-K168 VanDerWaalsContact OD2-NZ 3.16Å; E165-K168 CarbonylContact O-C 3.45Å; E165-K168 PolarHBondContact O-N 3.36Å; E165-K168 WeakPolarHBondContact OE1-CD 3.38Å; E165-K168 IonicContact OE1-NZ 2.94Å; E165-K168 PolarHBondContact OE1-NZ 3.28Å; L166-K168 PolarHBondContact O-N 3.07Å; K168-D172 VanDerWaalsContact CB-OD2 3.31Å; K168-D172 WeakPolarHBondContact CB-OD2 3.37Å; K168-D172 WeakPolarHBondContact CG-OD2 3.16Å; K168-D172 WeakPolarHBondContact O-CB 3.24Å; K168-D172 PolarHBondContact O-N 2.87Å; K168-R555 VanDerWaalsContact CD-NH2 3.29Å; K168-R559 PolarHBondContact O-NH2 3.37Å; K168-R559 VanDerWaalsContact O-NH2 3.09Å |
| 169 | V | 88.9 | Confident | 87.4 | Confident | 7 Ų | 7 | 35.3 Ų | 35.3 | 4% | 0.042 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -71.9 | -32.1 | 174.4 | 155.6 | 0 | 0 | 0 | 0 | 111 | E165 L166 Y167 S173 F176 R559 V562 M566 | E165-V169 VanDerWaalsContact O-CB 3.26Å; E165-V169 WeakPolarHBondContact O-CB 3.4Å; E165-V169 WeakPolarHBondContact O-CG2 3.48Å; E165-V169 PolarHBondContact O-N 3.07Å; L166-V169 PolarHBondContact O-N 3.32Å; L166-V169 VanDerWaalsContact O-N 3.14Å; Y167-V169 VanDerWaalsContact C-N 3.29Å; Y167-V169 PolarHBondContact O-N 3.49Å; V169-S173 WeakPolarHBondContact O-CB 3.28Å; V169-S173 PolarHBondContact O-OG 3.46Å; V169-F176 HydrophobicContact CG1-CE2 3.85Å; V169-F176 HydrophobicContact CG1-CZ 4.08Å; V169-F176 WeakPolarHBondContact O-CE2 3.35Å; V169-R559 HydrophobicContact CG2-CG 3.89Å; V169-V562 HydrophobicContact CG2-CG1 4.28Å; V169-M566 HydrophobicContact CG1-SD 4.35Å |
| 170 | F | 89.6 | Confident | 87.9 | Confident | 2 Ų | 2 | 37.4 Ų | 37.4 | 1% | 0.009 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -89.2 | -41.6 | 173.2 | -80.3 | -91 | 0 | 0 | 0 | 113.8 | I52 I87 I90 L166 Y167 F176 M566 | I52-F170 HydrophobicContact CD1-CD1 4.22Å; I52-F170 HydrophobicContact CD1-CE1 3.65Å; I52-F170 HydrophobicContact CD1-CZ 4.01Å; I52-F170 HydrophobicContact CG2-CE1 4.45Å; I52-F170 HydrophobicContact CG2-CZ 4.03Å; I87-F170 HydrophobicContact CD1-CE1 4.4Å; I87-F170 HydrophobicContact CG2-CD1 4.01Å; I90-F170 HydrophobicContact CD1-CB 4.16Å; I90-F170 HydrophobicContact CD1-CD2 3.71Å; I90-F170 HydrophobicContact CD1-CE2 4.36Å; I90-F170 HydrophobicContact CD1-CG 4.04Å; I90-F170 HydrophobicContact CG1-CB 4.22Å; I90-F170 HydrophobicContact CG1-CG 4.44Å; I90-F170 HydrophobicContact CG2-CB 3.85Å; I90-F170 HydrophobicContact CG2-CD1 3.64Å; I90-F170 HydrophobicContact CG2-CD2 4.25Å; I90-F170 HydrophobicContact CG2-CE1 4.24Å; I90-F170 HydrophobicContact CG2-CG 3.64Å; L166-F170 HydrophobicContact CD1-CD2 4.11Å; L166-F170 HydrophobicContact CD1-CE2 3.88Å; L166-F170 PolarHBondContact O-N 3.16Å; Y167-F170 PolarHBondContact O-N 3.19Å; F170-F176 HydrophobicContact CB-CD2 4.44Å; F170-F176 HydrophobicContact CD1-CB 4.19Å; F170-F176 AromaticContact CD1-CD2 3.24Å; F170-F176 HydrophobicContact CD1-CD2 3.24Å; F170-F176 AromaticContact CD1-CE2 3.57Å; F170-F176 HydrophobicContact CD1-CE2 3.57Å; F170-F176 AromaticContact CD1-CG 3.81Å; F170-F176 HydrophobicContact CD1-CG 3.81Å; F170-F176 HydrophobicContact CD1-CZ 4.38Å; F170-F176 HydrophobicContact CD2-CD2 4.47Å; F170-F176 AromaticContact CD2-CE2 3.99Å; F170-F176 HydrophobicContact CD2-CE2 3.99Å; F170-F176 HydrophobicContact CE1-CB 4.15Å; F170-F176 HydrophobicContact CE1-CD1 4.05Å; F170-F176 AromaticContact CE1-CD2 3.42Å; F170-F176 HydrophobicContact CE1-CD2 3.42Å; F170-F176 VanDerWaalsContact CE1-CD2 3.42Å; F170-F176 HydrophobicContact CE1-CE1 4.2Å; F170-F176 AromaticContact CE1-CE2 3.59Å; F170-F176 HydrophobicContact CE1-CE2 3.59Å; F170-F176 AromaticContact CE1-CG 3.62Å; F170-F176 HydrophobicContact CE1-CG 3.62Å; F170-F176 AromaticContact CE1-CZ 3.95Å; F170-F176 HydrophobicContact CE1-CZ 3.95Å; F170-F176 HydrophobicContact CE2-CE2 4.02Å; F170-F176 HydrophobicContact CE2-CZ 4.2Å; F170-F176 AromaticContact CG-CD2 3.83Å; F170-F176 HydrophobicContact CG-CD2 3.83Å; F170-F176 AromaticContact CG-CE2 3.79Å; F170-F176 HydrophobicContact CG-CE2 3.79Å; F170-F176 HydrophobicContact CZ-CD2 4.15Å; F170-F176 HydrophobicContact CZ-CE1 4.27Å; F170-F176 AromaticContact CZ-CE2 3.83Å; F170-F176 HydrophobicContact CZ-CE2 3.83Å; F170-F176 HydrophobicContact CZ-CG 4.46Å; F170-F176 AromaticContact CZ-CZ 3.86Å; F170-F176 HydrophobicContact CZ-CZ 3.86Å; F170-M566 HydrophobicContact CE2-CE 3.5Å; F170-M566 VanDerWaalsContact CE2-CE 3.5Å; F170-M566 HydrophobicContact CE2-SD 4.16Å; F170-M566 HydrophobicContact CZ-CE 3.46Å; F170-M566 VanDerWaalsContact CZ-CE 3.46Å |
| 171 | M | 86.7 | Confident | 88.2 | Confident | 72 Ų | 72 | 33.8 Ų | 33.8 | 36% | 0.355 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -91.3 | -43.7 | -166.1 | -61.7 | 169.5 | 69 | 0 | 0 | 113.6 | K89 Y167 | K89-M171 HydrophobicContact CD-CE 4.41Å; K89-M171 HydrophobicContact CG-CE 4.12Å; Y167-M171 HydrophobicContact CD1-SD 3.76Å; Y167-M171 HydrophobicContact CG-SD 4.37Å; Y167-M171 VanDerWaalsContact O-CB 3.27Å; Y167-M171 WeakPolarHBondContact O-CB 3.08Å; Y167-M171 WeakPolarHBondContact O-CG 3.27Å; Y167-M171 PolarHBondContact O-N 3.42Å |
| 172 | D | 81.6 | Confident | 88.5 | Confident | 84 Ų | 84 | 31.9 Ų | 31.9 | 45% | 0.449 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -26.1 | 179.7 | -55.1 | -3.6 | 0 | 0 | 0 | 112.3 | K168 K515 | K168-D172 VanDerWaalsContact CB-OD2 3.31Å; K168-D172 WeakPolarHBondContact CB-OD2 3.37Å; K168-D172 WeakPolarHBondContact CG-OD2 3.16Å; K168-D172 WeakPolarHBondContact O-CB 3.24Å; K168-D172 PolarHBondContact O-N 2.87Å; D172-K515 PolarHBondContact O-NZ 3.44Å |
| 173 | S | 73.5 | Confident | 88.8 | Confident | 3 Ų | 3 | 32.2 Ų | 32.2 | 2% | 0.021 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -83.2 | -22.2 | -165.2 | 76.4 | 0 | 0 | 0 | 0 | 113.9 | V169 S175 K515 | V169-S173 WeakPolarHBondContact O-CB 3.28Å; V169-S173 PolarHBondContact O-OG 3.46Å; S173-S175 WeakPolarHBondContact CB-OG 3.31Å; S173-S175 PolarHBondContact O-N 3.17Å; S173-S175 VanDerWaalsContact O-N 3.14Å; S173-S175 PolarHBondContact O-OG 2.87Å; S173-S175 VanDerWaalsContact OG-CB 3.26Å; S173-S175 WeakPolarHBondContact OG-CB 3.34Å; S173-S175 PolarHBondContact OG-N 2.98Å; S173-S175 PolarHBondContact OG-OG 3.42Å; S173-K515 WeakPolarHBondContact O-CD 3.41Å |
| 174 | D | 83.8 | Confident | 89.2 | Confident | 53 Ų | 53 | 30 Ų | 30 | 28% | 0.283 | 15% | 0.152 | S | C | . | . | trans | 56.2 | 17 | -170.7 | -64.6 | -61.6 | 0 | 0 | 0 | 115.1 | K86 Y177 K515 | K86-D174 WeakPolarHBondContact CE-O 3.38Å; K86-D174 VanDerWaalsContact CE-OD1 3.3Å; K86-D174 WeakPolarHBondContact CE-OD1 3.46Å; K86-D174 VanDerWaalsContact NZ-CG 3.33Å; K86-D174 IonicContact NZ-OD1 2.73Å; K86-D174 PolarHBondContact NZ-OD1 2.75Å; D174-Y177 WeakPolarHBondContact O-CE2 3.42Å; D174-K515 IonicContact OD2-NZ 2.74Å; D174-K515 PolarHBondContact OD2-NZ 3.41Å | ||
| 175 | S | 89.8 | Confident | 89.5 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.131 | C | C | . | . | trans | -99.9 | -0.6 | -152.9 | -67.9 | 0 | 0 | 0 | 0 | 117.8 | S173 Q237 G238 Q516 | S173-S175 WeakPolarHBondContact CB-OG 3.31Å; S173-S175 PolarHBondContact O-N 3.17Å; S173-S175 VanDerWaalsContact O-N 3.14Å; S173-S175 PolarHBondContact O-OG 2.87Å; S173-S175 VanDerWaalsContact OG-CB 3.26Å; S173-S175 WeakPolarHBondContact OG-CB 3.34Å; S173-S175 PolarHBondContact OG-N 2.98Å; S173-S175 PolarHBondContact OG-OG 3.42Å; S175-Q237 CarbonylContact O-C 3.55Å; S175-Q237 WeakPolarHBondContact O-CA 3.44Å; S175-G238 PolarHBondContact O-N 2.91Å; S175-Q516 WeakPolarHBondContact OG-CG 3.47Å; S175-Q516 PolarHBondContact OG-NE2 2.81Å | ||
| 176 | F | 95.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 129.7 | -172 | -69.4 | -77.3 | 0 | 0 | 0 | 113.2 | K86 I87 V169 F170 W212 I235 I236 Q237 M566 | K86-F176 WeakPolarHBondContact CA-O 3.03Å; I87-F176 HydrophobicContact CB-CB 4.24Å; I87-F176 HydrophobicContact CD1-CB 4.2Å; I87-F176 PolarHBondContact N-O 3.21Å; V169-F176 HydrophobicContact CG1-CE2 3.85Å; V169-F176 HydrophobicContact CG1-CZ 4.08Å; V169-F176 WeakPolarHBondContact O-CE2 3.35Å; F170-F176 HydrophobicContact CB-CD2 4.44Å; F170-F176 HydrophobicContact CD1-CB 4.19Å; F170-F176 AromaticContact CD1-CD2 3.24Å; F170-F176 HydrophobicContact CD1-CD2 3.24Å; F170-F176 AromaticContact CD1-CE2 3.57Å; F170-F176 HydrophobicContact CD1-CE2 3.57Å; F170-F176 AromaticContact CD1-CG 3.81Å; F170-F176 HydrophobicContact CD1-CG 3.81Å; F170-F176 HydrophobicContact CD1-CZ 4.38Å; F170-F176 HydrophobicContact CD2-CD2 4.47Å; F170-F176 AromaticContact CD2-CE2 3.99Å; F170-F176 HydrophobicContact CD2-CE2 3.99Å; F170-F176 HydrophobicContact CE1-CB 4.15Å; F170-F176 HydrophobicContact CE1-CD1 4.05Å; F170-F176 AromaticContact CE1-CD2 3.42Å; F170-F176 HydrophobicContact CE1-CD2 3.42Å; F170-F176 VanDerWaalsContact CE1-CD2 3.42Å; F170-F176 HydrophobicContact CE1-CE1 4.2Å; F170-F176 AromaticContact CE1-CE2 3.59Å; F170-F176 HydrophobicContact CE1-CE2 3.59Å; F170-F176 AromaticContact CE1-CG 3.62Å; F170-F176 HydrophobicContact CE1-CG 3.62Å; F170-F176 AromaticContact CE1-CZ 3.95Å; F170-F176 HydrophobicContact CE1-CZ 3.95Å; F170-F176 HydrophobicContact CE2-CE2 4.02Å; F170-F176 HydrophobicContact CE2-CZ 4.2Å; F170-F176 AromaticContact CG-CD2 3.83Å; F170-F176 HydrophobicContact CG-CD2 3.83Å; F170-F176 AromaticContact CG-CE2 3.79Å; F170-F176 HydrophobicContact CG-CE2 3.79Å; F170-F176 HydrophobicContact CZ-CD2 4.15Å; F170-F176 HydrophobicContact CZ-CE1 4.27Å; F170-F176 AromaticContact CZ-CE2 3.83Å; F170-F176 HydrophobicContact CZ-CE2 3.83Å; F170-F176 HydrophobicContact CZ-CG 4.46Å; F170-F176 AromaticContact CZ-CZ 3.86Å; F170-F176 HydrophobicContact CZ-CZ 3.86Å; F176-W212 AromaticContact CE1-CD1 3.58Å; F176-W212 HydrophobicContact CE1-CD2 4.27Å; F176-W212 AromaticContact CE1-CG 4Å; F176-W212 HydrophobicContact CE1-CG 4Å; F176-W212 AromaticContact CE1-NE1 3.58Å; F176-W212 AromaticContact CZ-NE1 3.9Å; F176-I235 HydrophobicContact CB-CG2 4.12Å; F176-I235 HydrophobicContact CD1-CG2 3.93Å; F176-I235 HydrophobicContact CG-CG2 4.48Å; F176-I236 WeakPolarHBondContact CA-O 3.44Å; F176-Q237 HydrophobicContact CD1-CB 3.96Å; F176-Q237 HydrophobicContact CD1-CG 4.16Å; F176-Q237 HydrophobicContact CE1-CB 3.75Å; F176-Q237 HydrophobicContact CE1-CG 3.87Å; F176-Q237 VanDerWaalsContact CE1-NE2 3.31Å; F176-Q237 HydrophobicContact CZ-CG 4.28Å; F176-M566 HydrophobicContact CE1-CE 4.47Å; F176-M566 HydrophobicContact CZ-CE 4.1Å |
| 177 | Y | 97.1 | Very high | 89.9 | Confident | 7 Ų | 7 | 26.4 Ų | 26.4 | 3% | 0.027 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 148.4 | -170.5 | -60.3 | -102.9 | 0 | 0 | 0 | 111.5 | V75 V84 Y85 K86 D174 I235 I236 V240 | V75-Y177 HydrophobicContact CG1-CE1 4.29Å; V75-Y177 HydrophobicContact CG2-CD1 3.9Å; V75-Y177 HydrophobicContact CG2-CE1 3.77Å; V84-Y177 HydrophobicContact CG1-CD1 4.41Å; Y85-Y177 CarbonylContact O-C 3.47Å; Y85-Y177 VanDerWaalsContact O-CA 3.28Å; Y85-Y177 WeakPolarHBondContact O-CA 3.18Å; K86-Y177 HydrophobicContact CB-CD1 3.86Å; K86-Y177 HydrophobicContact CB-CE1 3.87Å; K86-Y177 HydrophobicContact CD-CE1 4.18Å; K86-Y177 HydrophobicContact CG-CD1 4.37Å; K86-Y177 HydrophobicContact CG-CE1 4.11Å; D174-Y177 WeakPolarHBondContact O-CE2 3.42Å; Y177-I235 WeakPolarHBondContact O-CA 3.37Å; Y177-I236 PolarHBondContact N-O 2.73Å; Y177-I236 WeakPolarHBondContact O-CG1 3.4Å; Y177-I236 PolarHBondContact O-N 3.37Å; Y177-V240 HydrophobicContact CD1-CB 3.64Å; Y177-V240 HydrophobicContact CD1-CG2 3.78Å; Y177-V240 HydrophobicContact CD2-CG2 4.42Å; Y177-V240 HydrophobicContact CE1-CB 3.67Å; Y177-V240 HydrophobicContact CE1-CG2 4.22Å; Y177-V240 VanDerWaalsContact CE1-O 3.31Å; Y177-V240 WeakPolarHBondContact CE1-O 3.39Å; Y177-V240 HydrophobicContact CG-CB 4.23Å; Y177-V240 HydrophobicContact CG-CG2 3.86Å; Y177-V240 PolarHBondContact OH-N 3.36Å; Y177-V240 PolarHBondContact OH-O 2.88Å |
| 178 | Y | 95.7 | Very high | 90 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 163.4 | 176.1 | 70.4 | -78 | 0 | 0 | 0 | 111.2 | I69 K72 Y85 I87 M180 L184 I233 | I69-Y178 HydrophobicContact CD1-CD1 4.4Å; I69-Y178 HydrophobicContact CD1-CE1 3.77Å; I69-Y178 HydrophobicContact CD1-CE2 4.48Å; K72-Y178 VanDerWaalsContact CD-OH 3.24Å; K72-Y178 WeakPolarHBondContact CD-OH 3.36Å; Y85-Y178 HydrophobicContact CD2-CE2 4.41Å; Y85-Y178 PolarHBondContact N-O 3.17Å; Y85-Y178 PolarHBondContact O-N 2.86Å; I87-Y178 HydrophobicContact CD1-CD1 4.27Å; I87-Y178 HydrophobicContact CD1-CE1 4.43Å; I87-Y178 HydrophobicContact CG1-CD1 3.93Å; I87-Y178 HydrophobicContact CG1-CE1 3.8Å; Y178-M180 HydrophobicContact CD2-SD 3.98Å; Y178-M180 HydrophobicContact CE2-CE 4.08Å; Y178-M180 HydrophobicContact CE2-CG 4.4Å; Y178-M180 HydrophobicContact CE2-SD 3.8Å; Y178-L184 VanDerWaalsContact C-CD1 3.46Å; Y178-I233 HydrophobicContact CD2-CG2 3.46Å; Y178-I233 VanDerWaalsContact CD2-CG2 3.46Å; Y178-I233 HydrophobicContact CE2-CG2 4.19Å; Y178-I233 HydrophobicContact CG-CG2 3.87Å |
| 179 | S | 93.5 | Very high | 90.1 | Very high | 5 Ų | 5 | 23.6 Ų | 23.6 | 4% | 0.035 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 155 | 163.7 | -175.9 | 0 | 0 | 0 | 0 | 108.9 | K83 T181 Y182 | K83-S179 WeakPolarHBondContact O-CB 3.23Å; K83-S179 PolarHBondContact O-OG 2.82Å; S179-T181 PolarHBondContact OG-N 3.27Å; S179-Y182 PolarHBondContact OG-N 2.76Å |
| 180 | M | 88 | Confident | 90 | Very high | 86 Ų | 86 | 25 Ų | 25 | 42% | 0.424 | 13% | 0.129 | S | C | . | . | S | Bend | trans | -92.5 | -11.4 | 174.8 | -57 | -57.5 | -136.3 | 0 | 0 | 112.5 | Y178 I233 | Y178-M180 HydrophobicContact CD2-SD 3.98Å; Y178-M180 HydrophobicContact CE2-CE 4.08Å; Y178-M180 HydrophobicContact CE2-CG 4.4Å; Y178-M180 HydrophobicContact CE2-SD 3.8Å; M180-I233 HydrophobicContact CE-CD1 3.78Å; M180-I233 HydrophobicContact CE-CG1 4.32Å; M180-I233 HydrophobicContact SD-CD1 4.16Å; M180-I233 HydrophobicContact SD-CG1 4.16Å; M180-I233 HydrophobicContact SD-CG2 4.34Å |
| 181 | T | 88.3 | Confident | 89.8 | Confident | 76 Ų | 76 | 27.4 Ų | 27.4 | 47% | 0.466 | 14% | 0.14 | S | C | . | . | S | Bend | trans | -129.3 | -4.9 | -173.7 | 58.7 | 0 | 0 | 0 | 0 | 114.5 | H82 S179 | H82-T181 PolarHBondContact CE1-O 3.23Å; H82-T181 WeakPolarHBondContact ND1-CB 3.47Å; H82-T181 PolarHBondContact ND1-O 2.67Å; H82-T181 PolarHBondContact ND1-OG1 3.06Å; S179-T181 PolarHBondContact OG-N 3.27Å |
| 182 | Y | 89.1 | Confident | 89.2 | Confident | 22 Ų | 22 | 25.8 Ų | 25.8 | 9% | 0.086 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -134.8 | 137.4 | -179.9 | -176.8 | -88.9 | 0 | 0 | 0 | 111.1 | L78 H82 S179 L184 V188 Q191 | L78-Y182 HydrophobicContact CD1-CD1 3.7Å; L78-Y182 HydrophobicContact CD1-CE1 3.7Å; L78-Y182 HydrophobicContact CD1-CG 4.18Å; H82-Y182 HydrophobicContact CB-CD2 4.29Å; H82-Y182 HydrophobicContact CB-CG 4.31Å; H82-Y182 AromaticContact CD2-CD2 3.55Å; H82-Y182 AromaticContact CG-CD2 3.97Å; S179-Y182 PolarHBondContact OG-N 2.76Å; Y182-L184 HydrophobicContact CD1-CD2 3.84Å; Y182-L184 HydrophobicContact CD1-CG 4.21Å; Y182-L184 HydrophobicContact CE1-CD2 4.08Å; Y182-L184 PolarHBondContact O-N 3.28Å; Y182-L184 VanDerWaalsContact O-N 3.11Å; Y182-V188 WeakPolarHBondContact OH-CG2 3.16Å; Y182-Q191 VanDerWaalsContact CZ-NE2 3.34Å; Y182-Q191 PolarHBondContact OH-NE2 2.92Å |
| 183 | D | 91.6 | Very high | 88.5 | Confident | 7 Ų | 7 | 25.7 Ų | 25.7 | 4% | 0.037 | 14% | 0.141 | C | C | . | . | trans | -76.3 | 99.3 | 175.2 | 178.1 | 22.1 | 0 | 0 | 0 | 110.7 | T185 N186 Q191 | D183-T185 VanDerWaalsContact CG-OG1 3.23Å; D183-T185 PolarHBondContact O-N 3.45Å; D183-T185 WeakPolarHBondContact OD1-CA 3.34Å; D183-T185 VanDerWaalsContact OD1-CB 3.27Å; D183-T185 WeakPolarHBondContact OD1-CB 3.49Å; D183-T185 WeakPolarHBondContact OD1-CG2 3.11Å; D183-T185 PolarHBondContact OD1-N 3.39Å; D183-T185 PolarHBondContact OD1-OG1 3.06Å; D183-T185 PolarHBondContact OD2-OG1 2.83Å; D183-T185 VanDerWaalsContact OD2-OG1 3.06Å; D183-N186 WeakPolarHBondContact OD2-CB 3.24Å; D183-N186 PolarHBondContact OD2-N 3.1Å; D183-N186 PolarHBondContact OD2-ND2 2.82Å; D183-Q191 PolarHBondContact O-NE2 2.86Å | ||
| 184 | L | 94.4 | Very high | 87.9 | Confident | 4 Ų | 4 | 27.4 Ų | 27.4 | 2% | 0.021 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -73 | -5.6 | 173.6 | -73.6 | 178.1 | 0 | 0 | 0 | 113.8 | L78 V84 Y178 Y182 I236 I282 R284 | L78-L184 HydrophobicContact CD1-CD2 3.85Å; V84-L184 HydrophobicContact CG1-CD1 3.9Å; V84-L184 HydrophobicContact CG2-CD1 4.3Å; V84-L184 HydrophobicContact CG2-CD2 4.09Å; Y178-L184 VanDerWaalsContact C-CD1 3.46Å; Y182-L184 HydrophobicContact CD1-CD2 3.84Å; Y182-L184 HydrophobicContact CD1-CG 4.21Å; Y182-L184 HydrophobicContact CE1-CD2 4.08Å; Y182-L184 PolarHBondContact O-N 3.28Å; Y182-L184 VanDerWaalsContact O-N 3.11Å; L184-I236 HydrophobicContact CB-CD1 4.11Å; L184-I236 HydrophobicContact CB-CG1 4.28Å; L184-I236 HydrophobicContact CB-CG2 4.15Å; L184-I236 HydrophobicContact CD1-CD1 4.47Å; L184-I236 WeakPolarHBondContact O-CG2 3.2Å; L184-I282 HydrophobicContact CD2-CD1 4.33Å; L184-R284 WeakPolarHBondContact O-CD 3.22Å |
| 185 | T | 95 | Very high | 86.6 | Confident | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.006 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -81.1 | -35.2 | 178.6 | 73 | 0 | 0 | 0 | 0 | 112.5 | D183 D207 F210 F211 P234 I236 R284 | D183-T185 VanDerWaalsContact CG-OG1 3.23Å; D183-T185 PolarHBondContact O-N 3.45Å; D183-T185 WeakPolarHBondContact OD1-CA 3.34Å; D183-T185 VanDerWaalsContact OD1-CB 3.27Å; D183-T185 WeakPolarHBondContact OD1-CB 3.49Å; D183-T185 WeakPolarHBondContact OD1-CG2 3.11Å; D183-T185 PolarHBondContact OD1-N 3.39Å; D183-T185 PolarHBondContact OD1-OG1 3.06Å; D183-T185 PolarHBondContact OD2-OG1 2.83Å; D183-T185 VanDerWaalsContact OD2-OG1 3.06Å; T185-D207 WeakPolarHBondContact O-CB 3.4Å; T185-D207 PolarHBondContact OG1-N 3.41Å; T185-F210 VanDerWaalsContact O-CD2 3.27Å; T185-F210 WeakPolarHBondContact O-CD2 3.41Å; T185-F211 HydrophobicContact CG2-CB 4.27Å; T185-P234 HydrophobicContact CG2-CB 4.13Å; T185-I236 HydrophobicContact CG2-CG2 4.07Å; T185-R284 WeakPolarHBondContact O-CD 3.42Å |
| 186 | N | 93.6 | Very high | 85.2 | Confident | 10 Ų | 10 | 42.1 Ų | 42.1 | 5% | 0.053 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -95.1 | 156.8 | 179 | -82.3 | -65.4 | 0 | 0 | 0 | 114 | D183 R190 Q191 K205 D207 R284 | D183-N186 WeakPolarHBondContact OD2-CB 3.24Å; D183-N186 PolarHBondContact OD2-N 3.1Å; D183-N186 PolarHBondContact OD2-ND2 2.82Å; N186-R190 HydrophobicContact CB-CB 4.03Å; N186-R190 WeakPolarHBondContact OD1-CB 3.48Å; N186-R190 WeakPolarHBondContact OD1-CD 3.17Å; N186-R190 PolarHBondContact OD1-NE 2.82Å; N186-Q191 HydrophobicContact CB-CG 3.7Å; N186-Q191 PolarHBondContact O-NE2 2.69Å; N186-Q191 VanDerWaalsContact O-NE2 3.1Å; N186-K205 PolarHBondContact ND2-O 3.37Å; N186-D207 PolarHBondContact ND2-N 2.88Å; N186-R284 PolarHBondContact O-NH1 3.18Å |
| 187 | S | 93.6 | Very high | 83.5 | Confident | 4 Ų | 4 | 44.6 Ų | 44.6 | 3% | 0.028 | 24% | 0.239 | C | C | . | . | trans | -75.6 | 160.3 | 163.5 | 62.5 | 0 | 0 | 0 | 0 | 111.8 | Q189 R190 Q191 E312 | S187-Q189 PolarHBondContact O-N 3.19Å; S187-R190 PolarHBondContact O-N 3.23Å; S187-R190 PolarHBondContact OG-NH1 3.04Å; S187-Q191 WeakPolarHBondContact O-CG 3.33Å; S187-Q191 PolarHBondContact O-N 3.03Å; S187-E312 WeakPolarHBondContact CA-OE1 3.5Å; S187-E312 WeakPolarHBondContact CA-OE2 3.35Å; S187-E312 WeakPolarHBondContact CB-OE1 3.27Å | ||
| 188 | V | 91.2 | Very high | 81.8 | Confident | 15 Ų | 15 | 50.4 Ų | 50.4 | 9% | 0.091 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -54.9 | -36.6 | 177.2 | 170.6 | 0 | 0 | 0 | 0 | 111.5 | Y182 Q191 G192 E312 L314 T321 V442 | Y182-V188 WeakPolarHBondContact OH-CG2 3.16Å; V188-Q191 PolarHBondContact O-N 2.87Å; V188-G192 PolarHBondContact O-N 3.26Å; V188-E312 PolarHBondContact N-OE1 2.72Å; V188-L314 HydrophobicContact CB-CD2 4.43Å; V188-L314 HydrophobicContact CG2-CD1 4.2Å; V188-L314 HydrophobicContact CG2-CD2 3.58Å; V188-T321 HydrophobicContact CG1-CG2 4.46Å; V188-T321 HydrophobicContact CG2-CG2 4.4Å; V188-V442 HydrophobicContact CG1-CB 4.3Å; V188-V442 HydrophobicContact CG1-CG2 3.71Å |
| 189 | Q | 90.3 | Very high | 80.5 | Confident | 37 Ų | 37 | 54.7 Ų | 54.7 | 17% | 0.173 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.6 | -45.3 | 175 | -174.3 | 163.2 | -46.3 | 0 | 0 | 112.7 | S187 Q191 G192 D193 A440 K450 Q451 | S187-Q189 PolarHBondContact O-N 3.19Å; Q189-Q191 VanDerWaalsContact C-N 3.3Å; Q189-Q191 PolarHBondContact O-N 3.15Å; Q189-G192 PolarHBondContact O-N 3.28Å; Q189-D193 PolarHBondContact O-N 2.83Å; Q189-D193 VanDerWaalsContact O-N 3.1Å; Q189-A440 HydrophobicContact CB-CB 3.93Å; Q189-A440 HydrophobicContact CG-CB 4.48Å; Q189-K450 HydrophobicContact CG-CG 4.48Å; Q189-Q451 PolarHBondContact NE2-O 2.89Å |
| 190 | R | 88.5 | Confident | 79.3 | Confident | 38 Ų | 38 | 56.2 Ų | 56.2 | 14% | 0.143 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -70.9 | -27.2 | -179.8 | -65.8 | -166.3 | -60.6 | -90.1 | 7.3 | 112.5 | N186 S187 S194 D207 E310 | N186-R190 HydrophobicContact CB-CB 4.03Å; N186-R190 WeakPolarHBondContact OD1-CB 3.48Å; N186-R190 WeakPolarHBondContact OD1-CD 3.17Å; N186-R190 PolarHBondContact OD1-NE 2.82Å; S187-R190 PolarHBondContact O-N 3.23Å; S187-R190 PolarHBondContact OG-NH1 3.04Å; R190-S194 PolarHBondContact O-OG 2.74Å; R190-D207 IonicContact CZ-OD2 2.75Å; R190-D207 IonicContact NE-OD2 2.72Å; R190-D207 PolarHBondContact NE-OD2 3.35Å; R190-D207 IonicContact NH2-OD2 3.91Å; R190-D207 PolarHBondContact NH2-OD2 2.97Å; R190-E310 IonicContact CZ-OE1 3.95Å; R190-E310 IonicContact CZ-OE2 3.64Å; R190-E310 IonicContact NH1-OE1 2.65Å; R190-E310 PolarHBondContact NH1-OE1 3.28Å; R190-E310 IonicContact NH1-OE2 3.48Å; R190-E310 PolarHBondContact NH1-OE2 2.91Å; R190-E310 IonicContact NH2-OE1 2.72Å; R190-E310 PolarHBondContact NH2-OE1 3.17Å; R190-E310 IonicContact NH2-OE2 2.72Å; R190-E310 PolarHBondContact NH2-OE2 2.88Å |
| 191 | Q | 85.7 | Confident | 78.6 | Confident | 52 Ų | 52 | 53.9 Ų | 53.9 | 24% | 0.243 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -74.9 | -41.4 | 172 | -64.6 | -178.6 | 53.8 | 0 | 0 | 111.8 | Y182 D183 N186 S187 V188 Q189 D193 S194 | Y182-Q191 VanDerWaalsContact CZ-NE2 3.34Å; Y182-Q191 PolarHBondContact OH-NE2 2.92Å; D183-Q191 PolarHBondContact O-NE2 2.86Å; N186-Q191 HydrophobicContact CB-CG 3.7Å; N186-Q191 PolarHBondContact O-NE2 2.69Å; N186-Q191 VanDerWaalsContact O-NE2 3.1Å; S187-Q191 WeakPolarHBondContact O-CG 3.33Å; S187-Q191 PolarHBondContact O-N 3.03Å; V188-Q191 PolarHBondContact O-N 2.87Å; Q189-Q191 VanDerWaalsContact C-N 3.3Å; Q189-Q191 PolarHBondContact O-N 3.15Å; Q191-D193 PolarHBondContact O-N 2.82Å; Q191-S194 PolarHBondContact O-N 2.85Å; Q191-S194 VanDerWaalsContact O-N 3.14Å |
| 192 | G | 73.1 | Confident | 77.8 | Confident | 37 Ų | 37 | 51.5 Ų | 51.5 | 38% | 0.381 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -64.2 | -25.6 | 175 | 0 | 0 | 0 | 0 | 0 | 114.3 | V188 Q189 S194 | V188-G192 PolarHBondContact O-N 3.26Å; Q189-G192 PolarHBondContact O-N 3.28Å; G192-S194 VanDerWaalsContact C-N 3.33Å |
| 193 | D | 66.1 | Low | 77 | Confident | 83 Ų | 83 | 53.8 Ų | 53.8 | 44% | 0.444 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | 12.3 | 174.9 | -76.1 | -13.5 | 0 | 0 | 0 | 114 | Q189 Q191 K450 | Q189-D193 PolarHBondContact O-N 2.83Å; Q189-D193 VanDerWaalsContact O-N 3.1Å; Q191-D193 PolarHBondContact O-N 2.82Å; D193-K450 WeakPolarHBondContact OD1-CE 3.25Å; D193-K450 IonicContact OD1-NZ 3.73Å; D193-K450 PolarHBondContact OD1-NZ 3Å; D193-K450 IonicContact OD2-NZ 2.6Å; D193-K450 PolarHBondContact OD2-NZ 3.36Å |
| 194 | S | 61.9 | Low | 76 | Confident | 38 Ų | 38 | 56.9 Ų | 56.9 | 27% | 0.266 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -111.3 | 135.9 | 172.7 | -63 | 0 | 0 | 0 | 0 | 110.8 | R190 Q191 G192 K196 | R190-S194 PolarHBondContact O-OG 2.74Å; Q191-S194 PolarHBondContact O-N 2.85Å; Q191-S194 VanDerWaalsContact O-N 3.14Å; G192-S194 VanDerWaalsContact C-N 3.33Å; S194-K196 PolarHBondContact O-N 2.94Å |
| 195 | D | 56.6 | Low | 75.1 | Confident | 155 Ų | 155 | 64.3 Ų | 64.3 | 83% | 0.829 | 34% | 0.341 | S | S | * | . | trans | -55.7 | 138.1 | 172.6 | -68.7 | -54.9 | 0 | 0 | 0 | 111 | S197 | D195-S197 PolarHBondContact O-N 2.74Š| ||
| 196 | K | 60.4 | Low | 74.8 | Confident | 208 Ų | 208 | 65.7 Ų | 65.7 | 90% | 0.904 | 35% | 0.349 | S | S | * | . | trans | -71.8 | 63.9 | 177.8 | -68.3 | -178.4 | 179.9 | 174.1 | 0 | 111.6 | S194 | S194-K196 PolarHBondContact O-N 2.94Š| ||
| 197 | S | 58.9 | Low | 74.7 | Confident | 52 Ų | 52 | 66 Ų | 66 | 36% | 0.364 | 35% | 0.351 | S | S | . | . | trans | -69.9 | 149.6 | 175.9 | 74.6 | 0 | 0 | 0 | 0 | 111.5 | D195 L199 | D195-S197 PolarHBondContact O-N 2.74Å; S197-L199 PolarHBondContact O-N 2.9Å | ||
| 198 | S | 62 | Low | 74.6 | Confident | 128 Ų | 128 | 68.1 Ų | 68.1 | 90% | 0.895 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -78.1 | 13 | 173.1 | 52 | 0 | 0 | 0 | 0 | 113.8 | ||
| 199 | L | 69.8 | Low | 74.8 | Confident | 90 Ų | 90 | 68.3 Ų | 68.3 | 47% | 0.471 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -74.1 | 149.3 | 178.1 | -63.6 | 176.3 | 0 | 0 | 0 | 110.9 | S197 K203 Q204 | S197-L199 PolarHBondContact O-N 2.9Å; L199-K203 HydrophobicContact CB-CB 4.43Å; L199-Q204 HydrophobicContact CB-CG 4.25Å; L199-Q204 PolarHBondContact O-NE2 3.07Å |
| 200 | P | 66.6 | Low | 75.1 | Confident | 37 Ų | 37 | 66.6 Ų | 66.6 | 24% | 0.24 | 35% | 0.353 | C | S | . | . | trans | -66 | 150.1 | 175.5 | 32.4 | -39.9 | 0 | 0 | 0 | 110.8 | W202 K203 Q204 D229 | P200-W202 PolarHBondContact O-N 2.88Å; P200-K203 HydrophobicContact CG-CB 3.9Å; P200-K203 HydrophobicContact CG-CD 3.69Å; P200-K203 HydrophobicContact CG-CG 3.84Å; P200-K203 PolarHBondContact O-N 3.48Å; P200-Q204 PolarHBondContact O-N 3.05Å; P200-Q204 VanDerWaalsContact O-N 3.17Å; P200-D229 HydrophobicContact CB-CB 3.97Å; P200-D229 HydrophobicContact CG-CB 3.96Å; P200-D229 VanDerWaalsContact CG-CG 3.5Å | ||
| 201 | L | 73.4 | Confident | 75.4 | Confident | 37 Ų | 37 | 64.9 Ų | 64.9 | 19% | 0.194 | 35% | 0.347 | C | S | . | . | G | 310 helix | trans | -44.3 | -43.6 | -172.3 | -64.9 | 171.7 | 0 | 0 | 0 | 114.1 | Q204 V206 | L201-Q204 WeakPolarHBondContact O-CB 3.28Å; L201-Q204 PolarHBondContact O-N 3.05Å; L201-V206 WeakPolarHBondContact O-CG1 3.4Å |
| 202 | W | 72 | Confident | 75.8 | Confident | 27 Ų | 27 | 62.5 Ų | 62.5 | 10% | 0.102 | 34% | 0.335 | C | S | . | . | G | 310 helix | trans | -76.3 | -20.6 | -176.8 | 76.4 | -92.6 | 0 | 0 | 0 | 115 | P200 F211 I221 V228 D229 V232 P234 | P200-W202 PolarHBondContact O-N 2.88Å; W202-F211 HydrophobicContact CB-CE1 4.47Å; W202-I221 HydrophobicContact CE3-CG1 4.26Å; W202-I221 HydrophobicContact CH2-CG1 4.34Å; W202-I221 HydrophobicContact CZ3-CB 4.23Å; W202-I221 HydrophobicContact CZ3-CG1 3.88Å; W202-I221 HydrophobicContact CZ3-CG2 3.99Å; W202-V228 HydrophobicContact CH2-CG1 4.48Å; W202-V228 HydrophobicContact CZ2-CG1 3.87Å; W202-D229 WeakPolarHBondContact CZ2-OD1 3.17Å; W202-D229 PolarHBondContact NE1-OD1 2.81Å; W202-V232 HydrophobicContact CB-CG1 3.65Å; W202-V232 HydrophobicContact CD2-CB 3.91Å; W202-V232 HydrophobicContact CD2-CG1 3.41Å; W202-V232 VanDerWaalsContact CD2-CG1 3.41Å; W202-V232 HydrophobicContact CD2-CG2 4.46Å; W202-V232 HydrophobicContact CE3-CG1 3.91Å; W202-V232 HydrophobicContact CG-CB 3.84Å; W202-V232 HydrophobicContact CG-CG1 3.32Å; W202-V232 HydrophobicContact CZ2-CB 4.3Å; W202-V232 HydrophobicContact CZ2-CG1 4.5Å; W202-V232 HydrophobicContact CZ2-CG2 4.11Å; W202-P234 HydrophobicContact CB-CG 3.95Å |
| 203 | K | 72.8 | Confident | 76.9 | Confident | 70 Ų | 70 | 60.8 Ų | 60.8 | 30% | 0.304 | 32% | 0.318 | S | S | . | . | G | 310 helix | trans | -89 | -11.4 | 170.9 | -66.2 | 179.9 | 179 | 155.9 | 0 | 112.1 | L199 P200 V225 D229 | L199-K203 HydrophobicContact CB-CB 4.43Å; P200-K203 HydrophobicContact CG-CB 3.9Å; P200-K203 HydrophobicContact CG-CD 3.69Å; P200-K203 HydrophobicContact CG-CG 3.84Å; P200-K203 PolarHBondContact O-N 3.48Å; K203-V225 PolarHBondContact NZ-O 3.03Å; K203-D229 WeakPolarHBondContact CE-OD1 3.41Å; K203-D229 IonicContact NZ-OD1 3.64Å; K203-D229 PolarHBondContact NZ-OD1 3.33Å; K203-D229 IonicContact NZ-OD2 2.73Å; K203-D229 PolarHBondContact NZ-OD2 2.94Å |
| 204 | Q | 69.4 | Low | 78.2 | Confident | 71 Ų | 71 | 59.5 Ų | 59.5 | 33% | 0.332 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -71.9 | -179.4 | 165.2 | -56.8 | 175.8 | 8.2 | 0 | 0 | 110.2 | L199 P200 L201 V206 | L199-Q204 HydrophobicContact CB-CG 4.25Å; L199-Q204 PolarHBondContact O-NE2 3.07Å; P200-Q204 PolarHBondContact O-N 3.05Å; P200-Q204 VanDerWaalsContact O-N 3.17Å; L201-Q204 WeakPolarHBondContact O-CB 3.28Å; L201-Q204 PolarHBondContact O-N 3.05Å; Q204-V206 PolarHBondContact O-N 3.25Å |
| 205 | K | 76.6 | Confident | 79.6 | Confident | 161 Ų | 161 | 61.8 Ų | 61.8 | 70% | 0.7 | 31% | 0.314 | S | S | * | . | trans | -77.1 | 52.6 | -171.6 | -161.2 | 179.2 | 177.4 | -177.1 | 0 | 113.5 | N186 | N186-K205 PolarHBondContact ND2-O 3.37Š| ||
| 206 | V | 87.5 | Confident | 81.4 | Confident | 29 Ų | 29 | 54.6 Ų | 54.6 | 18% | 0.176 | 28% | 0.276 | C | S | . | . | trans | -58.5 | 145.4 | 179.5 | -68.5 | 0 | 0 | 0 | 0 | 112.8 | L201 Q204 D208 F211 | L201-V206 WeakPolarHBondContact O-CG1 3.4Å; Q204-V206 PolarHBondContact O-N 3.25Å; V206-D208 PolarHBondContact O-N 3.26Å; V206-F211 HydrophobicContact CG2-CD1 3.87Å; V206-F211 HydrophobicContact CG2-CE1 4.22Å | ||
| 207 | D | 92.4 | Very high | 82.9 | Confident | 17 Ų | 17 | 44.8 Ų | 44.8 | 9% | 0.091 | 23% | 0.233 | C | C | . | . | trans | -79.8 | 103.1 | -179.4 | -162.2 | -31.2 | 0 | 0 | 0 | 110.6 | T185 N186 R190 R209 F210 F211 | T185-D207 WeakPolarHBondContact O-CB 3.4Å; T185-D207 PolarHBondContact OG1-N 3.41Å; N186-D207 PolarHBondContact ND2-N 2.88Å; R190-D207 IonicContact CZ-OD2 2.75Å; R190-D207 IonicContact NE-OD2 2.72Å; R190-D207 PolarHBondContact NE-OD2 3.35Å; R190-D207 IonicContact NH2-OD2 3.91Å; R190-D207 PolarHBondContact NH2-OD2 2.97Å; D207-R209 PolarHBondContact O-N 2.84Å; D207-R209 WeakPolarHBondContact OD1-CB 3.41Å; D207-R209 VanDerWaalsContact OD1-CG 3.24Å; D207-R209 WeakPolarHBondContact OD1-CG 3.41Å; D207-R209 IonicContact OD1-CZ 3.44Å; D207-R209 PolarHBondContact OD1-N 3.16Å; D207-R209 VanDerWaalsContact OD1-N 3.17Å; D207-R209 IonicContact OD1-NE 3.41Å; D207-R209 PolarHBondContact OD1-NE 3.16Å; D207-R209 IonicContact OD1-NH2 3.51Å; D207-R209 IonicContact OD2-CZ 2.61Å; D207-R209 IonicContact OD2-NE 3.16Å; D207-R209 PolarHBondContact OD2-NE 2.97Å; D207-R209 IonicContact OD2-NH2 2.58Å; D207-R209 PolarHBondContact OD2-NH2 2.79Å; D207-F210 HydrophobicContact CB-CD2 3.95Å; D207-F210 PolarHBondContact O-N 3.37Å; D207-F210 WeakPolarHBondContact OD2-CD2 3.43Å; D207-F210 WeakPolarHBondContact OD2-CE2 3.49Å; D207-F211 PolarHBondContact O-N 3.16Å; D207-F211 VanDerWaalsContact O-N 3.15Å | ||
| 208 | D | 92.4 | Very high | 84.3 | Confident | 48 Ų | 48 | 45.2 Ų | 45.2 | 26% | 0.257 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -26.6 | 179.9 | -169.7 | 85.7 | 0 | 0 | 0 | 112.8 | V206 F210 K214 R287 H288 | V206-D208 PolarHBondContact O-N 3.26Å; D208-F210 PolarHBondContact O-N 2.82Å; D208-K214 VanDerWaalsContact OD1-CD 3.23Å; D208-K214 WeakPolarHBondContact OD1-CD 3.18Å; D208-K214 WeakPolarHBondContact OD1-CE 3.49Å; D208-K214 IonicContact OD1-NZ 3.41Å; D208-K214 PolarHBondContact OD1-NZ 3.43Å; D208-R287 VanDerWaalsContact CG-NH2 3.33Å; D208-R287 WeakPolarHBondContact O-CD 3.25Å; D208-R287 PolarHBondContact O-NE 2.88Å; D208-R287 IonicContact OD1-CZ 3.76Å; D208-R287 IonicContact OD1-NH2 2.67Å; D208-R287 PolarHBondContact OD1-NH2 3.48Å; D208-R287 IonicContact OD2-CZ 2.78Å; D208-R287 IonicContact OD2-NE 3.39Å; D208-R287 PolarHBondContact OD2-NE 3.14Å; D208-R287 IonicContact OD2-NH2 2.75Å; D208-R287 PolarHBondContact OD2-NH2 2.79Å; D208-H288 IonicContact OD2-CE1 2.67Å; D208-H288 PolarHBondContact OD2-CE1 3.25Å; D208-H288 IonicContact OD2-NE2 3.12Å |
| 209 | R | 94.2 | Very high | 85.6 | Confident | 19 Ų | 19 | 42.8 Ų | 42.8 | 7% | 0.072 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -32 | 177 | -55.7 | 177.2 | -65.8 | 164.6 | -0.1 | 111.7 | D207 S286 R287 Y308 E310 Y370 | D207-R209 PolarHBondContact O-N 2.84Å; D207-R209 WeakPolarHBondContact OD1-CB 3.41Å; D207-R209 VanDerWaalsContact OD1-CG 3.24Å; D207-R209 WeakPolarHBondContact OD1-CG 3.41Å; D207-R209 IonicContact OD1-CZ 3.44Å; D207-R209 PolarHBondContact OD1-N 3.16Å; D207-R209 VanDerWaalsContact OD1-N 3.17Å; D207-R209 IonicContact OD1-NE 3.41Å; D207-R209 PolarHBondContact OD1-NE 3.16Å; D207-R209 IonicContact OD1-NH2 3.51Å; D207-R209 IonicContact OD2-CZ 2.61Å; D207-R209 IonicContact OD2-NE 3.16Å; D207-R209 PolarHBondContact OD2-NE 2.97Å; D207-R209 IonicContact OD2-NH2 2.58Å; D207-R209 PolarHBondContact OD2-NH2 2.79Å; R209-S286 CarbonylContact O-C 3.53Å; R209-S286 VanDerWaalsContact O-CA 3.29Å; R209-S286 WeakPolarHBondContact O-CA 3.46Å; R209-R287 PolarHBondContact O-N 2.94Å; R209-Y308 PolarHBondContact NH1-OH 3.08Å; R209-E310 IonicContact NH2-OE2 2.97Å; R209-Y370 PolarHBondContact NH1-OH 2.93Å; R209-Y370 PolarHBondContact NH2-OH 2.87Å |
| 210 | F | 96.3 | Very high | 86.4 | Confident | 1 Ų | 1 | 38.5 Ų | 38.5 | 0% | 0.004 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.9 | -10.6 | -170 | -55.7 | -55.7 | 0 | 0 | 0 | 114.4 | T185 D207 D208 W212 I236 R284 Y308 E310 | T185-F210 VanDerWaalsContact O-CD2 3.27Å; T185-F210 WeakPolarHBondContact O-CD2 3.41Å; D207-F210 HydrophobicContact CB-CD2 3.95Å; D207-F210 PolarHBondContact O-N 3.37Å; D207-F210 WeakPolarHBondContact OD2-CD2 3.43Å; D207-F210 WeakPolarHBondContact OD2-CE2 3.49Å; D208-F210 PolarHBondContact O-N 2.82Å; F210-W212 VanDerWaalsContact C-N 3.27Å; F210-W212 PolarHBondContact O-N 3.41Å; F210-I236 HydrophobicContact CB-CG2 4.32Å; F210-R284 HydrophobicContact CB-CB 4.27Å; F210-R284 HydrophobicContact CD1-CB 3.5Å; F210-R284 HydrophobicContact CD2-CB 4.19Å; F210-R284 HydrophobicContact CE1-CB 3.8Å; F210-R284 WeakPolarHBondContact CE1-O 3.48Å; F210-R284 HydrophobicContact CE2-CB 4.42Å; F210-R284 HydrophobicContact CG-CB 3.72Å; F210-R284 HydrophobicContact CZ-CB 4.25Å; F210-Y308 HydrophobicContact CE1-CD1 4.38Å; F210-Y308 HydrophobicContact CZ-CD1 4.3Å; F210-Y308 HydrophobicContact CZ-CE1 4.07Å; F210-E310 HydrophobicContact CE1-CB 4.29Å; F210-E310 HydrophobicContact CE2-CB 4.1Å; F210-E310 HydrophobicContact CZ-CB 3.54Å |
| 211 | F | 95.2 | Very high | 87.4 | Confident | 3 Ų | 3 | 38 Ų | 38 | 1% | 0.013 | 18% | 0.179 | C | C | . | . | trans | -71.1 | 77.7 | 172.3 | -165 | 166.7 | 0 | 0 | 0 | 110.9 | T185 W202 V206 D207 N213 K214 I217 I221 V232 P234 R287 | T185-F211 HydrophobicContact CG2-CB 4.27Å; W202-F211 HydrophobicContact CB-CE1 4.47Å; V206-F211 HydrophobicContact CG2-CD1 3.87Å; V206-F211 HydrophobicContact CG2-CE1 4.22Å; D207-F211 PolarHBondContact O-N 3.16Å; D207-F211 VanDerWaalsContact O-N 3.15Å; F211-N213 WeakPolarHBondContact CD2-OD1 3.29Å; F211-N213 WeakPolarHBondContact CE2-OD1 3.23Å; F211-N213 PolarHBondContact O-N 2.93Å; F211-K214 HydrophobicContact CB-CB 4.32Å; F211-K214 HydrophobicContact CD1-CB 4.18Å; F211-K214 HydrophobicContact CD1-CD 4.08Å; F211-K214 HydrophobicContact CD1-CG 4.31Å; F211-K214 HydrophobicContact CD2-CB 3.81Å; F211-K214 HydrophobicContact CE1-CB 4.49Å; F211-K214 HydrophobicContact CE1-CG 4.43Å; F211-K214 HydrophobicContact CE2-CB 4.14Å; F211-K214 HydrophobicContact CG-CB 3.84Å; F211-K214 HydrophobicContact CG-CD 4.41Å; F211-K214 HydrophobicContact CG-CG 4.46Å; F211-K214 HydrophobicContact CZ-CB 4.48Å; F211-K214 WeakPolarHBondContact O-CB 3.46Å; F211-K214 PolarHBondContact O-N 3.04Å; F211-I217 HydrophobicContact CE2-CD1 3.83Å; F211-I217 HydrophobicContact CZ-CD1 3.91Å; F211-I221 HydrophobicContact CZ-CD1 4.39Å; F211-V232 HydrophobicContact CZ-CG1 4.07Å; F211-P234 HydrophobicContact CD2-CB 4.16Å; F211-P234 HydrophobicContact CE1-CG 4.46Å; F211-P234 HydrophobicContact CE2-CB 4.08Å; F211-P234 HydrophobicContact CE2-CG 4.4Å; F211-P234 HydrophobicContact CG-CB 4.49Å; F211-P234 HydrophobicContact CZ-CB 4.31Å; F211-P234 HydrophobicContact CZ-CG 4.18Å; F211-R287 VanDerWaalsContact O-CD 3.27Å; F211-R287 WeakPolarHBondContact O-CD 3.39Å | ||
| 212 | W | 94.9 | Very high | 88.2 | Confident | 1 Ų | 1 | 40.4 Ų | 40.4 | 0% | 0.004 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -46.5 | -166.7 | -174.6 | -83 | 0 | 0 | 0 | 113.4 | F176 F210 K214 I235 Q237 R287 A290 I563 M566 M567 | F176-W212 AromaticContact CE1-CD1 3.58Å; F176-W212 HydrophobicContact CE1-CD2 4.27Å; F176-W212 AromaticContact CE1-CG 4Å; F176-W212 HydrophobicContact CE1-CG 4Å; F176-W212 AromaticContact CE1-NE1 3.58Å; F176-W212 AromaticContact CZ-NE1 3.9Å; F210-W212 VanDerWaalsContact C-N 3.27Å; F210-W212 PolarHBondContact O-N 3.41Å; W212-K214 VanDerWaalsContact C-N 3.28Å; W212-K214 PolarHBondContact O-N 3.49Å; W212-I235 VanDerWaalsContact CB-O 3.27Å; W212-I235 WeakPolarHBondContact CB-O 3.28Å; W212-I235 PolarHBondContact N-O 2.91Å; W212-Q237 HydrophobicContact CD2-CB 3.71Å; W212-Q237 HydrophobicContact CE3-CB 3.54Å; W212-Q237 HydrophobicContact CE3-CG 4.46Å; W212-Q237 HydrophobicContact CG-CB 4.17Å; W212-Q237 VanDerWaalsContact CH2-OE1 3.26Å; W212-Q237 HydrophobicContact CZ3-CB 4.01Å; W212-R287 HydrophobicContact CE3-CB 4.08Å; W212-A290 HydrophobicContact CH2-CB 3.61Å; W212-A290 HydrophobicContact CZ3-CB 3.85Å; W212-I563 HydrophobicContact CH2-CG2 4.18Å; W212-I563 HydrophobicContact CZ2-CG2 4.18Å; W212-M566 VanDerWaalsContact NE1-CE 3.35Å; W212-M567 HydrophobicContact CD2-CE 3.75Å; W212-M567 VanDerWaalsContact CE2-CE 3.41Å; W212-M567 HydrophobicContact CE3-CE 4.42Å; W212-M567 HydrophobicContact CG-CE 3.97Å; W212-M567 HydrophobicContact CZ2-CE 3.85Å; W212-M567 VanDerWaalsContact O-CE 3.25Å; W212-M567 WeakPolarHBondContact O-CE 3.45Å |
| 213 | N | 95.1 | Very high | 88.9 | Confident | 2 Ų | 2 | 42.2 Ų | 42.2 | 1% | 0.011 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82 | 2.9 | -176.1 | 64.9 | -43.2 | 0 | 0 | 0 | 114.4 | I52 F211 H215 M216 I217 I233 I235 | I52-N213 HydrophobicContact CG2-CB 4.31Å; I52-N213 PolarHBondContact O-ND2 3.31Å; F211-N213 WeakPolarHBondContact CD2-OD1 3.29Å; F211-N213 WeakPolarHBondContact CE2-OD1 3.23Å; F211-N213 PolarHBondContact O-N 2.93Å; N213-H215 VanDerWaalsContact C-N 3.3Å; N213-H215 PolarHBondContact O-N 2.76Å; N213-H215 VanDerWaalsContact O-N 3.15Å; N213-M216 WeakPolarHBondContact O-CA 3.48Å; N213-M216 WeakPolarHBondContact O-CB 3.35Å; N213-M216 PolarHBondContact O-N 3.36Å; N213-I217 PolarHBondContact O-N 2.9Å; N213-I233 PolarHBondContact ND2-O 2.94Å; N213-I233 PolarHBondContact OD1-O 3.12Å; N213-I235 HydrophobicContact CB-CB 4.42Å; N213-I235 HydrophobicContact CB-CD1 4.29Å; N213-I235 WeakPolarHBondContact OD1-CB 3.49Å; N213-I235 PolarHBondContact OD1-N 3.24Å |
| 214 | K | 93.1 | Very high | 89.3 | Confident | 55 Ų | 55 | 46.4 Ų | 46.4 | 24% | 0.239 | 22% | 0.224 | C | C | . | . | G | 310 helix | trans | -49.5 | -45.7 | -173.9 | -177.1 | 172.5 | 176.4 | 173.9 | 0 | 113.9 | D208 F211 W212 M216 I217 Q218 I221 | D208-K214 VanDerWaalsContact OD1-CD 3.23Å; D208-K214 WeakPolarHBondContact OD1-CD 3.18Å; D208-K214 WeakPolarHBondContact OD1-CE 3.49Å; D208-K214 IonicContact OD1-NZ 3.41Å; D208-K214 PolarHBondContact OD1-NZ 3.43Å; F211-K214 HydrophobicContact CB-CB 4.32Å; F211-K214 HydrophobicContact CD1-CB 4.18Å; F211-K214 HydrophobicContact CD1-CD 4.08Å; F211-K214 HydrophobicContact CD1-CG 4.31Å; F211-K214 HydrophobicContact CD2-CB 3.81Å; F211-K214 HydrophobicContact CE1-CB 4.49Å; F211-K214 HydrophobicContact CE1-CG 4.43Å; F211-K214 HydrophobicContact CE2-CB 4.14Å; F211-K214 HydrophobicContact CG-CB 3.84Å; F211-K214 HydrophobicContact CG-CD 4.41Å; F211-K214 HydrophobicContact CG-CG 4.46Å; F211-K214 HydrophobicContact CZ-CB 4.48Å; F211-K214 WeakPolarHBondContact O-CB 3.46Å; F211-K214 PolarHBondContact O-N 3.04Å; W212-K214 VanDerWaalsContact C-N 3.28Å; W212-K214 PolarHBondContact O-N 3.49Å; K214-M216 PolarHBondContact O-N 3.25Å; K214-I217 CarbonylContact O-C 3.53Å; K214-I217 PolarHBondContact O-N 3.11Å; K214-Q218 PolarHBondContact O-N 3.48Å; K214-Q218 VanDerWaalsContact O-N 3.11Å; K214-I221 HydrophobicContact CG-CD1 3.99Å |
| 215 | H | 92.5 | Very high | 89.9 | Confident | 86 Ų | 86 | 45.9 Ų | 45.9 | 40% | 0.398 | 23% | 0.226 | S | C | . | . | G | 310 helix | trans | -62.4 | -41.4 | 177.7 | 173.8 | -96.3 | 0 | 0 | 0 | 112.4 | N213 I217 Q218 G568 | N213-H215 VanDerWaalsContact C-N 3.3Å; N213-H215 PolarHBondContact O-N 2.76Å; N213-H215 VanDerWaalsContact O-N 3.15Å; H215-I217 PolarHBondContact O-N 3.33Å; H215-Q218 WeakPolarHBondContact O-CB 3.04Å; H215-Q218 PolarHBondContact O-N 3.02Å; H215-G568 WeakPolarHBondContact CE1-CA 3.2Å; H215-G568 WeakPolarHBondContact ND1-CA 3.24Å; H215-G568 PolarHBondContact ND1-N 3.19Å; H215-G568 WeakPolarHBondContact NE2-CA 3.43Å |
| 216 | M | 92.9 | Very high | 90.1 | Very high | 5 Ų | 5 | 42.3 Ų | 42.3 | 3% | 0.025 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -64.8 | -23.2 | -179 | -58.4 | 178.2 | 59.4 | 0 | 0 | 112.9 | I52 G53 K54 I55 V67 N213 K214 M566 | I52-M216 HydrophobicContact CG2-CE 3.84Å; I52-M216 HydrophobicContact CG2-SD 4.19Å; G53-M216 CarbonylContact C-O 3.53Å; G53-M216 VanDerWaalsContact CA-O 3.26Å; G53-M216 WeakPolarHBondContact CA-O 2.98Å; K54-M216 PolarHBondContact N-O 2.96Å; K54-M216 WeakPolarHBondContact O-CA 3.38Å; K54-M216 VanDerWaalsContact O-CB 3.31Å; K54-M216 WeakPolarHBondContact O-CB 3.37Å; K54-M216 WeakPolarHBondContact O-CG 3.22Å; I55-M216 HydrophobicContact CB-CE 4.32Å; V67-M216 HydrophobicContact CB-CE 4.02Å; V67-M216 HydrophobicContact CG2-CE 3.82Å; N213-M216 WeakPolarHBondContact O-CA 3.48Å; N213-M216 WeakPolarHBondContact O-CB 3.35Å; N213-M216 PolarHBondContact O-N 3.36Å; K214-M216 PolarHBondContact O-N 3.25Å; M216-M566 HydrophobicContact SD-CB 4.2Å; M216-M566 HydrophobicContact SD-CE 3.71Å; M216-M566 HydrophobicContact SD-CG 4.07Å |
| 217 | I | 92.4 | Very high | 89.9 | Confident | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -113 | 15.8 | 178.1 | 63.1 | -175.5 | 0 | 0 | 0 | 113.1 | I52 F211 N213 K214 H215 D219 L220 I221 V232 | I52-I217 VanDerWaalsContact O-CG2 3.26Å; I52-I217 WeakPolarHBondContact O-CG2 3.4Å; F211-I217 HydrophobicContact CE2-CD1 3.83Å; F211-I217 HydrophobicContact CZ-CD1 3.91Å; N213-I217 PolarHBondContact O-N 2.9Å; K214-I217 CarbonylContact O-C 3.53Å; K214-I217 PolarHBondContact O-N 3.11Å; H215-I217 PolarHBondContact O-N 3.33Å; I217-D219 PolarHBondContact O-N 3.43Å; I217-D219 VanDerWaalsContact O-N 3.17Å; I217-L220 HydrophobicContact CB-CD1 4.27Å; I217-L220 HydrophobicContact CG2-CD1 4.29Å; I217-L220 WeakPolarHBondContact O-CB 3.48Å; I217-L220 PolarHBondContact O-N 2.9Å; I217-I221 HydrophobicContact CD1-CD1 4.44Å; I217-I221 HydrophobicContact CG1-CD1 3.99Å; I217-I221 HydrophobicContact CG1-CG1 4.45Å; I217-I221 PolarHBondContact O-N 3.47Å; I217-I221 VanDerWaalsContact O-N 3.12Å; I217-V232 HydrophobicContact CD1-CB 4.44Å; I217-V232 HydrophobicContact CD1-CG1 3.77Å |
| 218 | Q | 89.8 | Confident | 89.5 | Confident | 62 Ų | 62 | 44.3 Ų | 44.3 | 29% | 0.29 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -58.2 | -34.8 | -174.7 | -171.4 | 59.1 | 62.3 | 0 | 0 | 112.1 | K214 H215 L220 I221 N222 | K214-Q218 PolarHBondContact O-N 3.48Å; K214-Q218 VanDerWaalsContact O-N 3.11Å; H215-Q218 WeakPolarHBondContact O-CB 3.04Å; H215-Q218 PolarHBondContact O-N 3.02Å; Q218-L220 PolarHBondContact O-N 2.91Å; Q218-I221 WeakPolarHBondContact O-CB 3.32Å; Q218-I221 PolarHBondContact O-N 2.97Å; Q218-N222 PolarHBondContact NE2-OD1 2.72Å; Q218-N222 WeakPolarHBondContact O-CB 3.17Å; Q218-N222 PolarHBondContact O-N 3.22Å; Q218-N222 PolarHBondContact O-ND2 3.24Å; Q218-N222 PolarHBondContact O-OD1 3.31Å |
| 219 | D | 87.3 | Confident | 89.1 | Confident | 76 Ų | 76 | 44 Ų | 44 | 41% | 0.406 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -66.7 | -35.1 | 176.8 | -62.1 | -32.1 | 0 | 0 | 0 | 113.1 | K54 I217 N222 L223 | K54-D219 WeakPolarHBondContact CE-OD2 3.2Å; K54-D219 IonicContact NZ-OD2 3.27Å; K54-D219 PolarHBondContact NZ-OD2 3.11Å; I217-D219 PolarHBondContact O-N 3.43Å; I217-D219 VanDerWaalsContact O-N 3.17Å; D219-N222 PolarHBondContact O-N 2.9Å; D219-L223 PolarHBondContact O-N 3.27Å |
| 220 | L | 88.4 | Confident | 88.7 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.9 | -46.5 | 172.6 | -66.5 | 175.8 | 0 | 0 | 0 | 110.4 | L19 M28 I217 Q218 N222 L223 V228 W231 V232 | L19-L220 HydrophobicContact CD1-CD2 3.66Å; L19-L220 HydrophobicContact CD2-CD1 4.42Å; L19-L220 HydrophobicContact CD2-CD2 4.23Å; M28-L220 HydrophobicContact CB-CD2 3.83Å; M28-L220 HydrophobicContact CG-CD2 4.29Å; M28-L220 HydrophobicContact SD-CD1 4.21Å; M28-L220 HydrophobicContact SD-CD2 3.67Å; M28-L220 HydrophobicContact SD-CG 3.72Å; I217-L220 HydrophobicContact CB-CD1 4.27Å; I217-L220 HydrophobicContact CG2-CD1 4.29Å; I217-L220 WeakPolarHBondContact O-CB 3.48Å; I217-L220 PolarHBondContact O-N 2.9Å; Q218-L220 PolarHBondContact O-N 2.91Å; L220-N222 PolarHBondContact O-N 3.08Å; L220-L223 HydrophobicContact CD2-CD1 4.28Å; L220-L223 WeakPolarHBondContact O-CB 3.38Å; L220-L223 PolarHBondContact O-N 3.44Å; L220-L223 VanDerWaalsContact O-N 3.14Å; L220-V228 HydrophobicContact CB-CG1 4.17Å; L220-V228 WeakPolarHBondContact O-CG1 3.47Å; L220-W231 HydrophobicContact CD1-CB 4.37Å; L220-V232 HydrophobicContact CB-CG2 3.94Å |
| 221 | I | 87.6 | Confident | 88.4 | Confident | 26 Ų | 26 | 46.4 Ų | 46.4 | 13% | 0.133 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -57.2 | -38.3 | 175.8 | -69.1 | 171.6 | 0 | 0 | 0 | 111 | W202 F211 K214 I217 Q218 L223 Q224 V232 | W202-I221 HydrophobicContact CE3-CG1 4.26Å; W202-I221 HydrophobicContact CH2-CG1 4.34Å; W202-I221 HydrophobicContact CZ3-CB 4.23Å; W202-I221 HydrophobicContact CZ3-CG1 3.88Å; W202-I221 HydrophobicContact CZ3-CG2 3.99Å; F211-I221 HydrophobicContact CZ-CD1 4.39Å; K214-I221 HydrophobicContact CG-CD1 3.99Å; I217-I221 HydrophobicContact CD1-CD1 4.44Å; I217-I221 HydrophobicContact CG1-CD1 3.99Å; I217-I221 HydrophobicContact CG1-CG1 4.45Å; I217-I221 PolarHBondContact O-N 3.47Å; I217-I221 VanDerWaalsContact O-N 3.12Å; Q218-I221 WeakPolarHBondContact O-CB 3.32Å; Q218-I221 PolarHBondContact O-N 2.97Å; I221-L223 VanDerWaalsContact C-N 3.33Å; I221-L223 PolarHBondContact O-N 3.31Å; I221-Q224 PolarHBondContact O-N 3Å; I221-V232 HydrophobicContact CG1-CG1 4.24Å; I221-V232 HydrophobicContact CG1-CG2 4.33Å |
| 222 | N | 89.1 | Confident | 88.1 | Confident | 89 Ų | 89 | 46.6 Ų | 46.6 | 48% | 0.476 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -70.7 | -20.1 | -179.8 | -67.7 | -14.1 | 0 | 0 | 0 | 114.2 | Q218 D219 L220 Q224 | Q218-N222 PolarHBondContact NE2-OD1 2.72Å; Q218-N222 WeakPolarHBondContact O-CB 3.17Å; Q218-N222 PolarHBondContact O-N 3.22Å; Q218-N222 PolarHBondContact O-ND2 3.24Å; Q218-N222 PolarHBondContact O-OD1 3.31Å; D219-N222 PolarHBondContact O-N 2.9Å; L220-N222 PolarHBondContact O-N 3.08Å; N222-Q224 VanDerWaalsContact C-N 3.28Å; N222-Q224 PolarHBondContact O-N 3.33Å |
| 223 | L | 86.1 | Confident | 87.9 | Confident | 65 Ų | 65 | 46.8 Ų | 46.8 | 34% | 0.34 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -68.1 | -26.8 | 176.9 | -70.5 | 171.6 | 0 | 0 | 0 | 112.9 | D219 L220 I221 V225 V228 | D219-L223 PolarHBondContact O-N 3.27Å; L220-L223 HydrophobicContact CD2-CD1 4.28Å; L220-L223 WeakPolarHBondContact O-CB 3.38Å; L220-L223 PolarHBondContact O-N 3.44Å; L220-L223 VanDerWaalsContact O-N 3.14Å; I221-L223 VanDerWaalsContact C-N 3.33Å; I221-L223 PolarHBondContact O-N 3.31Å; L223-V225 PolarHBondContact O-N 3.4Å; L223-V228 HydrophobicContact CB-CG2 3.95Å; L223-V228 HydrophobicContact CD1-CG2 3.79Å |
| 224 | Q | 81.2 | Confident | 87.8 | Confident | 158 Ų | 158 | 47.2 Ų | 47.2 | 74% | 0.738 | 24% | 0.244 | S | C | * | . | trans | 57.2 | -0.7 | 177.2 | -60.7 | -175.5 | 4.2 | 0 | 0 | 117.9 | I221 N222 | I221-Q224 PolarHBondContact O-N 3Å; N222-Q224 VanDerWaalsContact C-N 3.28Å; N222-Q224 PolarHBondContact O-N 3.33Å | ||
| 225 | V | 83 | Confident | 88 | Confident | 59 Ų | 59 | 44.7 Ų | 44.7 | 36% | 0.358 | 23% | 0.232 | S | C | . | . | trans | -72.5 | 156.8 | 176.6 | -56.7 | 0 | 0 | 0 | 0 | 112.9 | K203 L223 E227 V228 | K203-V225 PolarHBondContact NZ-O 3.03Å; L223-V225 PolarHBondContact O-N 3.4Å; V225-E227 WeakPolarHBondContact CB-OE2 3.43Å; V225-V228 HydrophobicContact CG2-CB 4.32Å; V225-V228 HydrophobicContact CG2-CG2 3.6Å | ||
| 226 | P | 80.4 | Confident | 88.2 | Confident | 86 Ų | 86 | 40.6 Ų | 40.6 | 56% | 0.558 | 21% | 0.213 | S | C | * | . | G | 310 helix | trans | -65.8 | -32.5 | 176.6 | -22.4 | 34.9 | 0 | 0 | 0 | 114.3 | V228 D229 | P226-V228 PolarHBondContact O-N 2.99Å; P226-V228 VanDerWaalsContact O-N 3.14Å; P226-D229 WeakPolarHBondContact O-CB 3.35Å; P226-D229 PolarHBondContact O-N 2.82Å |
| 227 | E | 82.8 | Confident | 88.3 | Confident | 88 Ų | 88 | 40.6 Ų | 40.6 | 41% | 0.411 | 21% | 0.213 | S | C | . | . | G | 310 helix | trans | -70.6 | -13 | -174.4 | -57.2 | 76.5 | -170.4 | 0 | 0 | 112.9 | Q17 V30 V225 D229 W231 | Q17-E227 PolarHBondContact OE1-O 3.04Å; V30-E227 HydrophobicContact CB-CB 4.14Å; V30-E227 HydrophobicContact CG1-CB 3.58Å; V225-E227 WeakPolarHBondContact CB-OE2 3.43Å; E227-D229 PolarHBondContact O-N 2.58Å; E227-W231 VanDerWaalsContact O-CD1 3.23Å; E227-W231 PolarHBondContact O-NE1 3.07Å |
| 228 | V | 84.6 | Confident | 88.5 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -68.2 | -21.1 | 170.2 | 164.3 | 0 | 0 | 0 | 0 | 112.3 | V30 W202 L220 L223 V225 P226 L230 W231 V232 | V30-V228 HydrophobicContact CG2-CG2 3.73Å; W202-V228 HydrophobicContact CH2-CG1 4.48Å; W202-V228 HydrophobicContact CZ2-CG1 3.87Å; L220-V228 HydrophobicContact CB-CG1 4.17Å; L220-V228 WeakPolarHBondContact O-CG1 3.47Å; L223-V228 HydrophobicContact CB-CG2 3.95Å; L223-V228 HydrophobicContact CD1-CG2 3.79Å; V225-V228 HydrophobicContact CG2-CB 4.32Å; V225-V228 HydrophobicContact CG2-CG2 3.6Å; P226-V228 PolarHBondContact O-N 2.99Å; P226-V228 VanDerWaalsContact O-N 3.14Å; V228-L230 PolarHBondContact O-N 2.94Å; V228-L230 VanDerWaalsContact O-N 3.11Å; V228-W231 PolarHBondContact O-N 3.18Å; V228-V232 HydrophobicContact CG1-CG2 3.47Å; V228-V232 VanDerWaalsContact CG1-CG2 3.47Å; V228-V232 PolarHBondContact O-N 3.35Å |
| 229 | D | 84.4 | Confident | 88.8 | Confident | 41 Ų | 41 | 38 Ų | 38 | 22% | 0.219 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -67 | -20.3 | -167.1 | -64.6 | -30.9 | 0 | 0 | 0 | 114.4 | P200 W202 K203 P226 E227 W231 | P200-D229 HydrophobicContact CB-CB 3.97Å; P200-D229 HydrophobicContact CG-CB 3.96Å; P200-D229 VanDerWaalsContact CG-CG 3.5Å; W202-D229 WeakPolarHBondContact CZ2-OD1 3.17Å; W202-D229 PolarHBondContact NE1-OD1 2.81Å; K203-D229 WeakPolarHBondContact CE-OD1 3.41Å; K203-D229 IonicContact NZ-OD1 3.64Å; K203-D229 PolarHBondContact NZ-OD1 3.33Å; K203-D229 IonicContact NZ-OD2 2.73Å; K203-D229 PolarHBondContact NZ-OD2 2.94Å; P226-D229 WeakPolarHBondContact O-CB 3.35Å; P226-D229 PolarHBondContact O-N 2.82Å; E227-D229 PolarHBondContact O-N 2.58Å; D229-W231 VanDerWaalsContact C-N 3.35Å |
| 230 | L | 85.9 | Confident | 89.2 | Confident | 70 Ų | 70 | 34.5 Ų | 34.5 | 37% | 0.366 | 18% | 0.182 | S | C | . | . | G | 310 helix | trans | -76.1 | -20 | 172.4 | -176.5 | 59 | 0 | 0 | 0 | 113.6 | Q17 V228 | Q17-L230 HydrophobicContact CB-CD2 4.44Å; Q17-L230 VanDerWaalsContact OE1-CD2 3.31Å; V228-L230 PolarHBondContact O-N 2.94Å; V228-L230 VanDerWaalsContact O-N 3.11Å |
| 231 | W | 88.9 | Confident | 89.6 | Confident | 1 Ų | 1 | 35.7 Ų | 35.7 | 0% | 0.004 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.3 | -21.5 | -168.5 | -53.6 | 95.9 | 0 | 0 | 0 | 113.6 | M1 L12 Q17 L19 V51 L220 E227 V228 D229 I233 | M1-W231 HydrophobicContact CE-CE3 4.24Å; M1-W231 HydrophobicContact CE-CZ3 4.05Å; M1-W231 HydrophobicContact CG-CZ3 4.49Å; M1-W231 HydrophobicContact SD-CE3 4.07Å; M1-W231 HydrophobicContact SD-CH2 4.27Å; M1-W231 HydrophobicContact SD-CZ3 3.49Å; M1-W231 WeakPolarHBondContact SD-CZ3 3.43Å; L12-W231 HydrophobicContact CB-CH2 3.9Å; L12-W231 HydrophobicContact CB-CZ3 3.6Å; L12-W231 HydrophobicContact CD2-CZ3 4.22Å; L12-W231 WeakPolarHBondContact O-CH2 3.4Å; Q17-W231 HydrophobicContact CB-CZ2 4.45Å; L19-W231 HydrophobicContact CB-CD2 3.68Å; L19-W231 HydrophobicContact CB-CE3 3.82Å; L19-W231 HydrophobicContact CB-CG 4.28Å; L19-W231 HydrophobicContact CB-CH2 4.06Å; L19-W231 HydrophobicContact CB-CZ2 3.92Å; L19-W231 HydrophobicContact CB-CZ3 4Å; L19-W231 HydrophobicContact CD2-CB 4.32Å; L19-W231 HydrophobicContact CD2-CD2 4.03Å; L19-W231 HydrophobicContact CD2-CE3 3.88Å; L19-W231 HydrophobicContact CD2-CG 4.2Å; L19-W231 HydrophobicContact CG-CD2 4.45Å; V51-W231 HydrophobicContact CG2-CE3 4.24Å; L220-W231 HydrophobicContact CD1-CB 4.37Å; E227-W231 VanDerWaalsContact O-CD1 3.23Å; E227-W231 PolarHBondContact O-NE1 3.07Å; V228-W231 PolarHBondContact O-N 3.18Å; D229-W231 VanDerWaalsContact C-N 3.35Å; W231-I233 PolarHBondContact O-N 3.13Å |
| 232 | V | 90.6 | Very high | 90 | Very high | 7 Ų | 7 | 35.3 Ų | 35.3 | 4% | 0.042 | 19% | 0.187 | C | C | . | . | trans | -89 | 97.4 | 178.8 | 175.5 | 0 | 0 | 0 | 0 | 109.9 | W202 F211 I217 L220 I221 V228 | W202-V232 HydrophobicContact CB-CG1 3.65Å; W202-V232 HydrophobicContact CD2-CB 3.91Å; W202-V232 HydrophobicContact CD2-CG1 3.41Å; W202-V232 VanDerWaalsContact CD2-CG1 3.41Å; W202-V232 HydrophobicContact CD2-CG2 4.46Å; W202-V232 HydrophobicContact CE3-CG1 3.91Å; W202-V232 HydrophobicContact CG-CB 3.84Å; W202-V232 HydrophobicContact CG-CG1 3.32Å; W202-V232 HydrophobicContact CZ2-CB 4.3Å; W202-V232 HydrophobicContact CZ2-CG1 4.5Å; W202-V232 HydrophobicContact CZ2-CG2 4.11Å; F211-V232 HydrophobicContact CZ-CG1 4.07Å; I217-V232 HydrophobicContact CD1-CB 4.44Å; I217-V232 HydrophobicContact CD1-CG1 3.77Å; L220-V232 HydrophobicContact CB-CG2 3.94Å; I221-V232 HydrophobicContact CG1-CG1 4.24Å; I221-V232 HydrophobicContact CG1-CG2 4.33Å; V228-V232 HydrophobicContact CG1-CG2 3.47Å; V228-V232 VanDerWaalsContact CG1-CG2 3.47Å; V228-V232 PolarHBondContact O-N 3.35Å | ||
| 233 | I | 90.4 | Very high | 90.3 | Very high | 5 Ų | 5 | 34.2 Ų | 34.2 | 3% | 0.026 | 18% | 0.179 | C | C | . | . | trans | -102.7 | 116.2 | 179.5 | -55.7 | 169.7 | 0 | 0 | 0 | 109.3 | Y178 M180 N213 W231 I235 | Y178-I233 HydrophobicContact CD2-CG2 3.46Å; Y178-I233 VanDerWaalsContact CD2-CG2 3.46Å; Y178-I233 HydrophobicContact CE2-CG2 4.19Å; Y178-I233 HydrophobicContact CG-CG2 3.87Å; M180-I233 HydrophobicContact CE-CD1 3.78Å; M180-I233 HydrophobicContact CE-CG1 4.32Å; M180-I233 HydrophobicContact SD-CD1 4.16Å; M180-I233 HydrophobicContact SD-CG1 4.16Å; M180-I233 HydrophobicContact SD-CG2 4.34Å; N213-I233 PolarHBondContact ND2-O 2.94Å; N213-I233 PolarHBondContact OD1-O 3.12Å; W231-I233 PolarHBondContact O-N 3.13Å; I233-I235 HydrophobicContact CG2-CG1 4.32Å; I233-I235 PolarHBondContact O-N 3.07Å | ||
| 234 | P | 93.6 | Very high | 90.6 | Very high | 12 Ų | 12 | 35.8 Ų | 35.8 | 8% | 0.078 | 19% | 0.185 | C | C | . | . | trans | -67.8 | 112.9 | 169.6 | -20.6 | 34.1 | 0 | 0 | 0 | 111.5 | T185 W202 F211 | T185-P234 HydrophobicContact CG2-CB 4.13Å; W202-P234 HydrophobicContact CB-CG 3.95Å; F211-P234 HydrophobicContact CD2-CB 4.16Å; F211-P234 HydrophobicContact CE1-CG 4.46Å; F211-P234 HydrophobicContact CE2-CB 4.08Å; F211-P234 HydrophobicContact CE2-CG 4.4Å; F211-P234 HydrophobicContact CG-CB 4.49Å; F211-P234 HydrophobicContact CZ-CB 4.31Å; F211-P234 HydrophobicContact CZ-CG 4.18Å | ||
| 235 | I | 96 | Very high | 91.1 | Very high | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | P | Polyproline II helix | trans | -103 | 127.6 | 174.8 | -58.5 | 168.4 | 0 | 0 | 0 | 108.5 | I52 I87 F176 Y177 W212 N213 I233 | I52-I235 HydrophobicContact CB-CD1 4.24Å; I52-I235 HydrophobicContact CG1-CD1 3.98Å; I52-I235 HydrophobicContact CG2-CD1 3.96Å; I87-I235 HydrophobicContact CD1-CD1 3.8Å; I87-I235 HydrophobicContact CD1-CG1 4.34Å; I87-I235 HydrophobicContact CD1-CG2 4.16Å; F176-I235 HydrophobicContact CB-CG2 4.12Å; F176-I235 HydrophobicContact CD1-CG2 3.93Å; F176-I235 HydrophobicContact CG-CG2 4.48Å; Y177-I235 WeakPolarHBondContact O-CA 3.37Å; W212-I235 VanDerWaalsContact CB-O 3.27Å; W212-I235 WeakPolarHBondContact CB-O 3.28Å; W212-I235 PolarHBondContact N-O 2.91Å; N213-I235 HydrophobicContact CB-CB 4.42Å; N213-I235 HydrophobicContact CB-CD1 4.29Å; N213-I235 WeakPolarHBondContact OD1-CB 3.49Å; N213-I235 PolarHBondContact OD1-N 3.24Å; I233-I235 HydrophobicContact CG2-CG1 4.32Å; I233-I235 PolarHBondContact O-N 3.07Å |
| 236 | I | 96.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 148 | 167 | 62.1 | 163.5 | 0 | 0 | 0 | 110.6 | F176 Y177 L184 T185 F210 V240 I282 R284 | F176-I236 WeakPolarHBondContact CA-O 3.44Å; Y177-I236 PolarHBondContact N-O 2.73Å; Y177-I236 WeakPolarHBondContact O-CG1 3.4Å; Y177-I236 PolarHBondContact O-N 3.37Å; L184-I236 HydrophobicContact CB-CD1 4.11Å; L184-I236 HydrophobicContact CB-CG1 4.28Å; L184-I236 HydrophobicContact CB-CG2 4.15Å; L184-I236 HydrophobicContact CD1-CD1 4.47Å; L184-I236 WeakPolarHBondContact O-CG2 3.2Å; T185-I236 HydrophobicContact CG2-CG2 4.07Å; F210-I236 HydrophobicContact CB-CG2 4.32Å; I236-V240 HydrophobicContact CD1-CG2 4.17Å; I236-I282 HydrophobicContact CD1-CG2 4.37Å; I236-R284 HydrophobicContact CD1-CG 4.12Å |
| 237 | Q | 96 | Very high | 91.7 | Very high | 5 Ų | 5 | 24.3 Ų | 24.3 | 2% | 0.023 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 136.5 | 158.6 | -169.6 | 178.2 | 92.2 | 0 | 0 | 109.3 | S175 F176 W212 R285 | S175-Q237 CarbonylContact O-C 3.55Å; S175-Q237 WeakPolarHBondContact O-CA 3.44Å; F176-Q237 HydrophobicContact CD1-CB 3.96Å; F176-Q237 HydrophobicContact CD1-CG 4.16Å; F176-Q237 HydrophobicContact CE1-CB 3.75Å; F176-Q237 HydrophobicContact CE1-CG 3.87Å; F176-Q237 VanDerWaalsContact CE1-NE2 3.31Å; F176-Q237 HydrophobicContact CZ-CG 4.28Å; W212-Q237 HydrophobicContact CD2-CB 3.71Å; W212-Q237 HydrophobicContact CE3-CB 3.54Å; W212-Q237 HydrophobicContact CE3-CG 4.46Å; W212-Q237 HydrophobicContact CG-CB 4.17Å; W212-Q237 VanDerWaalsContact CH2-OE1 3.26Å; W212-Q237 HydrophobicContact CZ3-CB 4.01Å; Q237-R285 PolarHBondContact O-N 3.48Å |
| 238 | G | 94.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 155 | -124.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | S175 S283 T512 Q516 | S175-G238 PolarHBondContact O-N 2.91Å; G238-S283 CarbonylContact C-O 3.56Å; G238-S283 VanDerWaalsContact CA-O 3.27Å; G238-S283 WeakPolarHBondContact CA-O 3.27Å; G238-T512 WeakPolarHBondContact O-CG2 3.44Å; G238-Q516 PolarHBondContact O-NE2 3.13Å |
| 239 | F | 96.3 | Very high | 91.6 | Very high | 8 Ų | 8 | 25 Ų | 25 | 4% | 0.035 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 139.1 | -178.4 | 174.6 | -101.9 | 0 | 0 | 0 | 110.3 | Q241 L281 I282 S283 N508 N509 T512 I513 | F239-Q241 HydrophobicContact CE1-CB 3.75Å; F239-Q241 HydrophobicContact CE2-CB 4.32Å; F239-Q241 HydrophobicContact CZ-CB 3.45Å; F239-Q241 VanDerWaalsContact CZ-CB 3.45Å; F239-Q241 HydrophobicContact CZ-CG 4.49Å; F239-L281 HydrophobicContact CE1-CB 4.47Å; F239-L281 HydrophobicContact CE1-CD2 4.26Å; F239-L281 HydrophobicContact CE1-CG 4.39Å; F239-I282 CarbonylContact O-C 3.53Å; F239-I282 WeakPolarHBondContact O-CA 3.45Å; F239-S283 PolarHBondContact N-O 3.29Å; F239-S283 PolarHBondContact O-N 3.37Å; F239-N508 HydrophobicContact CE2-CB 3.75Å; F239-N508 HydrophobicContact CZ-CB 3.55Å; F239-N509 HydrophobicContact CD1-CB 3.6Å; F239-N509 HydrophobicContact CE1-CB 3.72Å; F239-N509 HydrophobicContact CG-CB 4.2Å; F239-N509 HydrophobicContact CZ-CB 4.39Å; F239-T512 HydrophobicContact CB-CG2 4.3Å; F239-T512 HydrophobicContact CD2-CG2 4.07Å; F239-T512 WeakPolarHBondContact CD2-OG1 3.46Å; F239-I513 HydrophobicContact CB-CD1 4.33Å; F239-I513 HydrophobicContact CB-CG1 4.5Å |
| 240 | V | 97.2 | Very high | 91 | Very high | 3 Ų | 3 | 29 Ų | 29 | 2% | 0.018 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 135.9 | 164.1 | -173 | 0 | 0 | 0 | 0 | 108.7 | V75 V84 Y177 I236 V242 L281 I282 | V75-V240 HydrophobicContact CG1-CB 4.26Å; V75-V240 HydrophobicContact CG1-CG1 4.12Å; V75-V240 VanDerWaalsContact CG1-O 3.31Å; V75-V240 WeakPolarHBondContact CG1-O 3.36Å; V84-V240 HydrophobicContact CG1-CB 4.32Å; V84-V240 HydrophobicContact CG1-CG1 4.09Å; V84-V240 HydrophobicContact CG1-CG2 4.38Å; Y177-V240 HydrophobicContact CD1-CB 3.64Å; Y177-V240 HydrophobicContact CD1-CG2 3.78Å; Y177-V240 HydrophobicContact CD2-CG2 4.42Å; Y177-V240 HydrophobicContact CE1-CB 3.67Å; Y177-V240 HydrophobicContact CE1-CG2 4.22Å; Y177-V240 VanDerWaalsContact CE1-O 3.31Å; Y177-V240 WeakPolarHBondContact CE1-O 3.39Å; Y177-V240 HydrophobicContact CG-CB 4.23Å; Y177-V240 HydrophobicContact CG-CG2 3.86Å; Y177-V240 PolarHBondContact OH-N 3.36Å; Y177-V240 PolarHBondContact OH-O 2.88Å; I236-V240 HydrophobicContact CD1-CG2 4.17Å; V240-V242 HydrophobicContact CG1-CG2 4.33Å; V240-L281 WeakPolarHBondContact CA-O 3.13Å; V240-I282 HydrophobicContact CG1-CG1 4.19Å; V240-I282 HydrophobicContact CG2-CG1 4.42Å; V240-I282 HydrophobicContact CG2-CG2 4.27Å |
| 241 | Q | 96.2 | Very high | 89.9 | Confident | 26 Ų | 26 | 29.9 Ų | 29.9 | 12% | 0.121 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 141.9 | 161.9 | -176.8 | 174.7 | -6.7 | 0 | 0 | 108.1 | F239 E243 A280 L281 M505 N508 | F239-Q241 HydrophobicContact CE1-CB 3.75Å; F239-Q241 HydrophobicContact CE2-CB 4.32Å; F239-Q241 HydrophobicContact CZ-CB 3.45Å; F239-Q241 VanDerWaalsContact CZ-CB 3.45Å; F239-Q241 HydrophobicContact CZ-CG 4.49Å; Q241-E243 HydrophobicContact CG-CG 4.27Å; Q241-E243 PolarHBondContact NE2-OE1 3.07Å; Q241-A280 WeakPolarHBondContact O-CA 3.39Å; Q241-L281 PolarHBondContact N-O 3.32Å; Q241-L281 PolarHBondContact O-N 3.15Å; Q241-M505 HydrophobicContact CB-CE 4.42Å; Q241-M505 HydrophobicContact CG-CE 4.3Å; Q241-M505 HydrophobicContact CG-CG 4.4Å; Q241-N508 PolarHBondContact OE1-ND2 3.34Å |
| 242 | V | 96.1 | Very high | 88.1 | Confident | 17 Ų | 17 | 34.2 Ų | 34.2 | 10% | 0.103 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 131.6 | 175.9 | -169.8 | 0 | 0 | 0 | 0 | 107.6 | L78 V240 T278 V279 A280 | L78-V242 HydrophobicContact CD2-CG2 3.97Å; V240-V242 HydrophobicContact CG1-CG2 4.33Å; V242-T278 HydrophobicContact CG1-CG2 3.46Å; V242-T278 VanDerWaalsContact CG1-CG2 3.46Å; V242-V279 CarbonylContact C-O 3.6Å; V242-V279 WeakPolarHBondContact CA-O 3.34Å; V242-A280 HydrophobicContact CB-CB 4.43Å; V242-A280 HydrophobicContact CG1-CB 4.2Å; V242-A280 HydrophobicContact CG2-CB 3.91Å |
| 243 | E | 95.1 | Very high | 86.2 | Confident | 66 Ų | 66 | 36.2 Ų | 36.2 | 31% | 0.308 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 146.6 | 178.8 | -64.7 | -63.7 | 161.3 | 0 | 0 | 109.5 | Q241 V279 I501 M505 | Q241-E243 HydrophobicContact CG-CG 4.27Å; Q241-E243 PolarHBondContact NE2-OE1 3.07Å; E243-V279 PolarHBondContact N-O 3.11Å; E243-V279 PolarHBondContact O-N 3.39Å; E243-I501 HydrophobicContact CB-CG2 4.06Å; E243-I501 HydrophobicContact CG-CG2 3.88Å; E243-M505 HydrophobicContact CB-CE 4.18Å; E243-M505 HydrophobicContact CB-SD 3.91Å; E243-M505 HydrophobicContact CG-CE 3.91Å; E243-M505 HydrophobicContact CG-CG 3.89Å; E243-M505 HydrophobicContact CG-SD 3.64Å |
| 244 | E | 92.8 | Very high | 84.3 | Confident | 99 Ų | 99 | 42.2 Ų | 42.2 | 46% | 0.463 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 129.6 | 170.3 | -161.5 | -167.8 | 175.7 | 0 | 0 | 109.5 | R276 | E244-R276 IonicContact OE1-CZ 3.26Å; E244-R276 VanDerWaalsContact OE1-CZ 3.25Å; E244-R276 IonicContact OE1-NE 3.36Å; E244-R276 PolarHBondContact OE1-NE 2.99Å; E244-R276 IonicContact OE1-NH2 3.52Å; E244-R276 PolarHBondContact OE1-NH2 3.2Å; E244-R276 IonicContact OE2-CZ 3.94Å; E244-R276 IonicContact OE2-NE 3.15Å; E244-R276 IonicContact OE2-NH2 3.27Å; E244-R276 PolarHBondContact OE2-NH2 3.36Å |
| 245 | L | 91.7 | Very high | 82.2 | Confident | 2 Ų | 2 | 49.2 Ų | 49.2 | 1% | 0.01 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 145 | -176 | -65.2 | -172.6 | 0 | 0 | 0 | 111 | R276 F277 V279 C498 I501 | L245-R276 CarbonylContact O-C 3.52Å; L245-R276 VanDerWaalsContact O-CA 3.31Å; L245-R276 WeakPolarHBondContact O-CA 3.35Å; L245-F277 HydrophobicContact CB-CD1 3.91Å; L245-F277 HydrophobicContact CB-CD2 4.41Å; L245-F277 HydrophobicContact CB-CE1 3.5Å; L245-F277 VanDerWaalsContact CB-CE1 3.5Å; L245-F277 HydrophobicContact CB-CE2 4.1Å; L245-F277 HydrophobicContact CB-CG 4.35Å; L245-F277 HydrophobicContact CB-CZ 3.62Å; L245-F277 HydrophobicContact CD1-CE1 4.29Å; L245-F277 HydrophobicContact CD1-CE2 3.77Å; L245-F277 HydrophobicContact CD1-CZ 3.53Å; L245-F277 HydrophobicContact CG-CE2 4.43Å; L245-F277 HydrophobicContact CG-CZ 4.19Å; L245-F277 PolarHBondContact N-O 3.02Å; L245-F277 PolarHBondContact O-N 2.98Å; L245-V279 HydrophobicContact CD1-CG2 3.59Å; L245-V279 HydrophobicContact CG-CG2 4.15Å; L245-C498 HydrophobicContact CD1-CB 4.11Å; L245-I501 HydrophobicContact CD2-CB 3.84Å; L245-I501 HydrophobicContact CD2-CD1 3.52Å; L245-I501 HydrophobicContact CD2-CG1 4.28Å; L245-I501 HydrophobicContact CD2-CG2 3.76Å |
| 246 | V | 89.6 | Confident | 79.7 | Confident | 53 Ų | 53 | 56.3 Ų | 56.3 | 32% | 0.321 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 121.1 | 179.2 | -171.9 | 0 | 0 | 0 | 0 | 108.1 | N248 H274 R276 C498 | V246-N248 PolarHBondContact O-N 3.45Å; V246-N248 VanDerWaalsContact O-N 3.11Å; V246-H274 HydrophobicContact CG1-CB 3.65Å; V246-R276 HydrophobicContact CG1-CG 4.45Å; V246-R276 HydrophobicContact CG2-CG 4.26Å; V246-C498 PolarHBondContact O-SG 2.97Å |
| 247 | V | 86.4 | Confident | 77.2 | Confident | 6 Ų | 6 | 63.9 Ų | 63.9 | 4% | 0.036 | 32% | 0.321 | C | S | . | . | trans | -79.7 | 95 | 176.1 | -179.8 | 0 | 0 | 0 | 0 | 108.7 | Y249 P275 F277 V487 P495 | V247-Y249 HydrophobicContact CG1-CD2 3.99Å; V247-Y249 HydrophobicContact CG1-CE2 3.4Å; V247-P275 HydrophobicContact CB-CG 4.17Å; V247-P275 PolarHBondContact N-O 3.17Å; V247-F277 HydrophobicContact CG2-CD1 3.93Å; V247-F277 HydrophobicContact CG2-CE1 3.58Å; V247-V487 HydrophobicContact CG2-CG1 3.77Å; V247-P495 HydrophobicContact CG1-CG 3.92Å | ||
| 248 | N | 84.6 | Confident | 74.6 | Confident | 25 Ų | 25 | 68.8 Ų | 68.8 | 13% | 0.134 | 36% | 0.356 | C | S | . | . | trans | -120.4 | 124.7 | 172.6 | -169.9 | -7.8 | 0 | 0 | 0 | 110.3 | V246 N250 E251 H274 P495 | V246-N248 PolarHBondContact O-N 3.45Å; V246-N248 VanDerWaalsContact O-N 3.11Å; N248-N250 WeakPolarHBondContact OD1-CB 3.44Å; N248-N250 PolarHBondContact OD1-N 3.37Å; N248-E251 VanDerWaalsContact ND2-CG 3.33Å; N248-E251 WeakPolarHBondContact ND2-CG 3.48Å; N248-E251 PolarHBondContact ND2-OE1 2.84Å; N248-E251 PolarHBondContact OD1-N 3.23Å; N248-H274 VanDerWaalsContact CG-CD2 3.41Å; N248-H274 PolarHBondContact OD1-CD2 3.49Å; N248-H274 PolarHBondContact OD1-NE2 3Å; N248-P495 WeakPolarHBondContact O-CB 3.44Å | ||
| 249 | Y | 79.6 | Confident | 72.1 | Confident | 77 Ų | 77 | 73.4 Ų | 73.4 | 30% | 0.302 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -103 | -12.2 | 176.4 | -71.5 | -77.2 | 0 | 0 | 0 | 113.3 | V247 M488 P489 Q492 P493 P495 | V247-Y249 HydrophobicContact CG1-CD2 3.99Å; V247-Y249 HydrophobicContact CG1-CE2 3.4Å; Y249-M488 WeakPolarHBondContact OH-CG 3.48Å; Y249-P489 HydrophobicContact CE2-CG 4.21Å; Y249-Q492 HydrophobicContact CE1-CB 3.92Å; Y249-Q492 VanDerWaalsContact CZ-OE1 3.32Å; Y249-P493 VanDerWaalsContact CE1-O 3.28Å; Y249-P493 WeakPolarHBondContact CE1-O 3.26Å; Y249-P493 PolarHBondContact OH-O 2.96Å; Y249-P495 HydrophobicContact CD1-CG 4.11Å; Y249-P495 HydrophobicContact CD2-CG 4.46Å; Y249-P495 HydrophobicContact CE1-CG 3.73Å; Y249-P495 HydrophobicContact CE2-CG 4.11Å; Y249-P495 HydrophobicContact CG-CG 4.47Å |
| 250 | N | 72.4 | Confident | 69.9 | Low | 126 Ų | 126 | 79.4 Ų | 79.4 | 67% | 0.674 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -84.8 | -16.6 | -179.6 | -60.3 | -31.3 | 0 | 0 | 0 | 112.2 | N248 T252 | N248-N250 WeakPolarHBondContact OD1-CB 3.44Å; N248-N250 PolarHBondContact OD1-N 3.37Å; N250-T252 PolarHBondContact O-N 3.41Å |
| 251 | E | 61.9 | Low | 67.2 | Low | 89 Ų | 89 | 88.1 Ų | 88.1 | 42% | 0.416 | 47% | 0.469 | S | S | . | . | trans | -74.1 | 86.6 | 168.5 | -82 | 174.6 | -125.4 | 0 | 0 | 111.2 | N248 K497 | N248-E251 VanDerWaalsContact ND2-CG 3.33Å; N248-E251 WeakPolarHBondContact ND2-CG 3.48Å; N248-E251 PolarHBondContact ND2-OE1 2.84Å; N248-E251 PolarHBondContact OD1-N 3.23Å; E251-K497 VanDerWaalsContact CD-NZ 3.26Å; E251-K497 IonicContact OE1-NZ 2.73Å; E251-K497 PolarHBondContact OE1-NZ 3.21Å; E251-K497 VanDerWaalsContact OE1-NZ 3.16Å; E251-K497 WeakPolarHBondContact OE2-CD 3.46Å; E251-K497 WeakPolarHBondContact OE2-CE 3.35Å; E251-K497 IonicContact OE2-NZ 2.78Å; E251-K497 PolarHBondContact OE2-NZ 3.26Å | ||
| 252 | T | 51 | Low | 64.5 | Low | 92 Ų | 92 | 92.9 Ų | 92.9 | 56% | 0.564 | 50% | 0.5 | S | S | * | . | trans | -60.2 | 144.5 | 157.2 | 45.9 | 0 | 0 | 0 | 0 | 110 | N250 | N250-T252 PolarHBondContact O-N 3.41Š| ||
| 253 | S | 50.6 | Low | 62.1 | Low | 48 Ų | 48 | 97.3 Ų | 97.3 | 34% | 0.336 | 53% | 0.529 | S | S | . | . | trans | -60.3 | 139.5 | -172.4 | 50.6 | 0 | 0 | 0 | 0 | 113.7 | E255 E256 | S253-E255 PolarHBondContact O-N 2.81Å; S253-E256 PolarHBondContact O-N 3.14Å | ||
| 254 | D | 51.1 | Low | 59.5 | Low | 131 Ų | 131 | 100 Ų | 100 | 70% | 0.701 | 55% | 0.552 | S | S | * | * | G | 310 helix | trans | -55.6 | -9.4 | -174.5 | -48 | -88.6 | 0 | 0 | 0 | 116.2 | E256 | D254-E256 VanDerWaalsContact C-N 3.33Å; D254-E256 PolarHBondContact O-N 3Å |
| 255 | E | 49.6 | Very low | 56.9 | Low | 160 Ų | 160 | 104.8 Ų | 104.8 | 75% | 0.748 | 57% | 0.571 | S | S | * | * | G | 310 helix | trans | -69.4 | -23.4 | 178.8 | -55.1 | -77.6 | 150.7 | 0 | 0 | 113.2 | S253 | S253-E255 PolarHBondContact O-N 2.81Š|
| 256 | E | 44.4 | Very low | 54.3 | Low | 149 Ų | 149 | 113.4 Ų | 113.4 | 70% | 0.696 | 61% | 0.612 | S | S | * | * | G | 310 helix | trans | -89.8 | -9.6 | -175.7 | -67.9 | -160.7 | 140 | 0 | 0 | 115 | S253 D254 S258 | S253-E256 PolarHBondContact O-N 3.14Å; D254-E256 VanDerWaalsContact C-N 3.33Å; D254-E256 PolarHBondContact O-N 3Å; E256-S258 PolarHBondContact O-N 3.46Å |
| 257 | H | 44.5 | Very low | 51.9 | Low | 160 Ų | 160 | 117.6 Ų | 117.6 | 74% | 0.741 | 63% | 0.631 | S | S | * | * | trans | -79.7 | 55 | 177.7 | -76.7 | -51.8 | 0 | 0 | 0 | 113.5 | ||||
| 258 | S | 40.1 | Very low | 49.6 | Very low | 108 Ų | 108 | 124.9 Ų | 124.9 | 76% | 0.755 | 67% | 0.668 | S | S | * | * | trans | -119.4 | 19.2 | 172.1 | -67 | 0 | 0 | 0 | 0 | 113.8 | E256 | E256-S258 PolarHBondContact O-N 3.46Š| ||
| 259 | S | 42.8 | Very low | 47.9 | Very low | 97 Ų | 97 | 129.3 Ų | 129.3 | 68% | 0.678 | 70% | 0.699 | S | S | * | * | trans | -132.4 | 107.2 | 177 | -68.9 | 0 | 0 | 0 | 0 | 110.9 | E261 | S259-E261 VanDerWaalsContact C-N 3.33Å; S259-E261 PolarHBondContact O-N 2.78Å; S259-E261 VanDerWaalsContact O-N 3.17Å | ||
| 260 | P | 49.6 | Very low | 46 | Very low | 134 Ų | 134 | 131.6 Ų | 131.6 | 87% | 0.87 | 72% | 0.721 | S | S | * | * | trans | -90.7 | 48.6 | -171.2 | 37.8 | -37.7 | 0 | 0 | 0 | 113.2 | ||||
| 261 | E | 42.1 | Very low | 44.5 | Very low | 186 Ų | 186 | 132.4 Ų | 132.4 | 87% | 0.869 | 73% | 0.725 | S | S | * | * | trans | -145.7 | 58.8 | -171 | -135.7 | 165.8 | -106 | 0 | 0 | 114.5 | S259 | S259-E261 VanDerWaalsContact C-N 3.33Å; S259-E261 PolarHBondContact O-N 2.78Å; S259-E261 VanDerWaalsContact O-N 3.17Å | ||
| 262 | T | 39 | Very low | 43.7 | Very low | 126 Ų | 126 | 133.5 Ų | 133.5 | 77% | 0.773 | 73% | 0.734 | S | S | * | * | trans | -143.2 | 130 | 164.3 | -32.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 263 | P | 45 | Very low | 44.3 | Very low | 109 Ų | 109 | 136 Ų | 136 | 71% | 0.708 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 145.3 | 174.4 | 27.9 | -34.3 | 0 | 0 | 0 | 110.3 | K265 | P263-K265 PolarHBondContact O-N 3Š|
| 264 | P | 41.6 | Very low | 45.5 | Very low | 123 Ų | 123 | 136 Ų | 136 | 80% | 0.799 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 125.8 | 176.3 | 26.8 | -33.5 | 0 | 0 | 0 | 109.4 | E266 | P264-E266 PolarHBondContact O-N 3.14Š|
| 265 | K | 38.1 | Very low | 47.1 | Very low | 199 Ų | 199 | 132.4 Ų | 132.4 | 87% | 0.865 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 134.2 | 163.5 | -76 | -177.9 | 174.9 | 178.4 | 0 | 107.9 | P263 I267 | P263-K265 PolarHBondContact O-N 3Å; K265-I267 PolarHBondContact O-N 3.32Å |
| 266 | E | 36.1 | Very low | 49 | Very low | 184 Ų | 184 | 131.2 Ų | 131.2 | 86% | 0.86 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 133.6 | 177.2 | -63.1 | 179.5 | 137.4 | 0 | 0 | 110 | P264 I268 | P264-E266 PolarHBondContact O-N 3.14Å; E266-I268 PolarHBondContact O-N 3.29Å |
| 267 | I | 38.7 | Very low | 51.4 | Low | 141 Ų | 141 | 124.2 Ų | 124.2 | 72% | 0.723 | 68% | 0.677 | S | S | * | * | trans | -71.5 | 114.1 | 177 | -62.7 | 166.6 | 0 | 0 | 0 | 106.9 | K265 C269 | K265-I267 PolarHBondContact O-N 3.32Å; I267-C269 PolarHBondContact O-N 3.37Å | ||
| 268 | I | 38.6 | Very low | 53.8 | Low | 159 Ų | 159 | 118.3 Ų | 118.3 | 82% | 0.815 | 65% | 0.652 | S | S | * | * | trans | -76.2 | 114.4 | 177.6 | -59.5 | 176.6 | 0 | 0 | 0 | 107.7 | E266 V270 | E266-I268 PolarHBondContact O-N 3.29Å; I268-V270 PolarHBondContact O-N 2.86Å | ||
| 269 | C | 48.4 | Very low | 56.4 | Low | 117 Ų | 117 | 113.2 Ų | 113.2 | 79% | 0.791 | 62% | 0.616 | S | S | * | * | trans | -72.8 | 109 | -166.5 | -52.1 | 0 | 0 | 0 | 0 | 114.4 | I267 | I267-C269 PolarHBondContact O-N 3.37Š| ||
| 270 | V | 40.7 | Very low | 59 | Low | 125 Ų | 125 | 108.8 Ų | 108.8 | 76% | 0.758 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -139.9 | 162.7 | 139.2 | -167.2 | 0 | 0 | 0 | 0 | 106.6 | I268 D272 | I268-V270 PolarHBondContact O-N 2.86Å; V270-D272 PolarHBondContact O-N 2.87Å |
| 271 | D | 40.2 | Very low | 61.3 | Low | 143 Ų | 143 | 102.5 Ų | 102.5 | 77% | 0.765 | 54% | 0.544 | S | S | * | . | trans | -63.7 | 99.7 | 178.4 | -63.2 | -75 | 0 | 0 | 0 | 112.3 | I273 | D271-I273 HydrophobicContact CB-CD1 4.46Å; D271-I273 HydrophobicContact CB-CG1 4.22Å; D271-I273 PolarHBondContact O-N 3.26Å | ||
| 272 | D | 46.1 | Very low | 63.9 | Low | 112 Ų | 112 | 93.6 Ų | 93.6 | 60% | 0.599 | 50% | 0.503 | S | S | * | . | trans | -70.1 | 62.5 | 177.2 | -88.9 | -25.9 | 0 | 0 | 0 | 112.7 | V270 H274 | V270-D272 PolarHBondContact O-N 2.87Å; D272-H274 PolarHBondContact O-N 3.12Å; D272-H274 PolarHBondContact O-ND1 3.29Å | ||
| 273 | I | 63.3 | Low | 66.7 | Low | 144 Ų | 144 | 87.6 Ų | 87.6 | 74% | 0.738 | 47% | 0.466 | S | S | * | . | trans | -74.4 | 77.8 | 172.4 | -52.9 | 179.7 | 0 | 0 | 0 | 108.8 | D271 | D271-I273 HydrophobicContact CB-CD1 4.46Å; D271-I273 HydrophobicContact CB-CG1 4.22Å; D271-I273 PolarHBondContact O-N 3.26Å | ||
| 274 | H | 75.9 | Confident | 69.2 | Low | 50 Ų | 50 | 82.4 Ų | 82.4 | 23% | 0.231 | 43% | 0.432 | C | S | . | . | trans | -52 | 123.3 | 171.4 | -68.9 | 79.4 | 0 | 0 | 0 | 109.8 | V246 N248 D272 R276 | V246-H274 HydrophobicContact CG1-CB 3.65Å; N248-H274 VanDerWaalsContact CG-CD2 3.41Å; N248-H274 PolarHBondContact OD1-CD2 3.49Å; N248-H274 PolarHBondContact OD1-NE2 3Å; D272-H274 PolarHBondContact O-N 3.12Å; D272-H274 PolarHBondContact O-ND1 3.29Å; H274-R276 WeakPolarHBondContact O-CG 3.48Å; H274-R276 PolarHBondContact O-N 3.47Å | ||
| 275 | P | 84.8 | Confident | 71.7 | Confident | 55 Ų | 55 | 76.8 Ų | 76.8 | 36% | 0.357 | 40% | 0.395 | S | S | . | . | trans | -67.8 | 134.9 | -167.7 | 22.3 | -29 | 0 | 0 | 0 | 111.7 | V247 V487 | V247-P275 HydrophobicContact CB-CG 4.17Å; V247-P275 PolarHBondContact N-O 3.17Å; P275-V487 HydrophobicContact CB-CG1 4.27Å | ||
| 276 | R | 89.8 | Confident | 74.4 | Confident | 135 Ų | 135 | 67.5 Ų | 67.5 | 51% | 0.509 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 144.6 | -172.9 | -56.9 | 173.7 | 68.5 | 131.8 | -6.5 | 110.3 | E244 L245 V246 H274 | E244-R276 IonicContact OE1-CZ 3.26Å; E244-R276 VanDerWaalsContact OE1-CZ 3.25Å; E244-R276 IonicContact OE1-NE 3.36Å; E244-R276 PolarHBondContact OE1-NE 2.99Å; E244-R276 IonicContact OE1-NH2 3.52Å; E244-R276 PolarHBondContact OE1-NH2 3.2Å; E244-R276 IonicContact OE2-CZ 3.94Å; E244-R276 IonicContact OE2-NE 3.15Å; E244-R276 IonicContact OE2-NH2 3.27Å; E244-R276 PolarHBondContact OE2-NH2 3.36Å; L245-R276 CarbonylContact O-C 3.52Å; L245-R276 VanDerWaalsContact O-CA 3.31Å; L245-R276 WeakPolarHBondContact O-CA 3.35Å; V246-R276 HydrophobicContact CG1-CG 4.45Å; V246-R276 HydrophobicContact CG2-CG 4.26Å; H274-R276 WeakPolarHBondContact O-CG 3.48Å; H274-R276 PolarHBondContact O-N 3.47Å |
| 277 | F | 93.2 | Very high | 77.1 | Confident | 2 Ų | 2 | 60.7 Ų | 60.7 | 1% | 0.009 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 142.9 | 175.4 | 69.3 | -77.5 | 0 | 0 | 0 | 111.4 | L245 V247 V279 I315 H316 V317 M478 L482 V487 L494 | L245-F277 HydrophobicContact CB-CD1 3.91Å; L245-F277 HydrophobicContact CB-CD2 4.41Å; L245-F277 HydrophobicContact CB-CE1 3.5Å; L245-F277 VanDerWaalsContact CB-CE1 3.5Å; L245-F277 HydrophobicContact CB-CE2 4.1Å; L245-F277 HydrophobicContact CB-CG 4.35Å; L245-F277 HydrophobicContact CB-CZ 3.62Å; L245-F277 HydrophobicContact CD1-CE1 4.29Å; L245-F277 HydrophobicContact CD1-CE2 3.77Å; L245-F277 HydrophobicContact CD1-CZ 3.53Å; L245-F277 HydrophobicContact CG-CE2 4.43Å; L245-F277 HydrophobicContact CG-CZ 4.19Å; L245-F277 PolarHBondContact N-O 3.02Å; L245-F277 PolarHBondContact O-N 2.98Å; V247-F277 HydrophobicContact CG2-CD1 3.93Å; V247-F277 HydrophobicContact CG2-CE1 3.58Å; F277-V279 HydrophobicContact CD2-CG2 3.65Å; F277-V279 HydrophobicContact CE2-CG2 3.36Å; F277-V279 HydrophobicContact CZ-CG2 4.39Å; F277-I315 HydrophobicContact CD2-CD1 4.43Å; F277-I315 HydrophobicContact CD2-CG2 4.14Å; F277-I315 HydrophobicContact CE2-CD1 4.38Å; F277-H316 WeakPolarHBondContact CA-O 3.18Å; F277-V317 HydrophobicContact CB-CG2 3.58Å; F277-M478 HydrophobicContact CE2-SD 4.4Å; F277-L482 HydrophobicContact CB-CD2 4.27Å; F277-L482 HydrophobicContact CD1-CD2 4.09Å; F277-L482 HydrophobicContact CD2-CD1 4.43Å; F277-L482 HydrophobicContact CD2-CD2 3.66Å; F277-L482 HydrophobicContact CE1-CD1 4.19Å; F277-L482 HydrophobicContact CE1-CD2 4.3Å; F277-L482 HydrophobicContact CE2-CD1 3.75Å; F277-L482 HydrophobicContact CE2-CD2 3.84Å; F277-L482 HydrophobicContact CE2-CG 4.38Å; F277-L482 HydrophobicContact CG-CD2 3.76Å; F277-L482 HydrophobicContact CZ-CD1 3.61Å; F277-L482 HydrophobicContact CZ-CD2 4.17Å; F277-V487 HydrophobicContact CD1-CG1 4.1Å; F277-L494 HydrophobicContact CZ-CD1 4.23Å |
| 278 | T | 94.8 | Very high | 79.6 | Confident | 35 Ų | 35 | 55.9 Ų | 55.9 | 22% | 0.215 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 132.8 | 175.2 | -50.7 | 0 | 0 | 0 | 0 | 109.6 | V242 I315 H316 | V242-T278 HydrophobicContact CG1-CG2 3.46Å; V242-T278 VanDerWaalsContact CG1-CG2 3.46Å; T278-I315 WeakPolarHBondContact O-CA 3.31Å; T278-H316 PolarHBondContact N-O 3.48Å; T278-H316 PolarHBondContact O-N 2.73Å |
| 279 | V | 95.8 | Very high | 82.1 | Confident | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.012 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 127.1 | 170.1 | -173.3 | 0 | 0 | 0 | 0 | 108.9 | V242 E243 L245 F277 L314 I315 M478 M505 | V242-V279 CarbonylContact C-O 3.6Å; V242-V279 WeakPolarHBondContact CA-O 3.34Å; E243-V279 PolarHBondContact N-O 3.11Å; E243-V279 PolarHBondContact O-N 3.39Å; L245-V279 HydrophobicContact CD1-CG2 3.59Å; L245-V279 HydrophobicContact CG-CG2 4.15Å; F277-V279 HydrophobicContact CD2-CG2 3.65Å; F277-V279 HydrophobicContact CE2-CG2 3.36Å; F277-V279 HydrophobicContact CZ-CG2 4.39Å; V279-L314 WeakPolarHBondContact CA-O 3.36Å; V279-I315 HydrophobicContact CB-CD1 4.34Å; V279-I315 HydrophobicContact CG1-CD1 4.05Å; V279-I315 HydrophobicContact CG2-CD1 3.77Å; V279-M478 HydrophobicContact CG2-SD 4.47Å; V279-M505 HydrophobicContact CB-CE 4.3Å; V279-M505 HydrophobicContact CB-SD 4.35Å; V279-M505 HydrophobicContact CG1-CE 4.04Å; V279-M505 HydrophobicContact CG1-SD 4.16Å |
| 280 | A | 96.9 | Very high | 84.1 | Confident | 3 Ų | 3 | 45.6 Ų | 45.6 | 3% | 0.025 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 140.8 | 164.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | L78 Q241 V242 Q313 L314 | L78-A280 HydrophobicContact CD2-CB 3.58Å; Q241-A280 WeakPolarHBondContact O-CA 3.39Å; V242-A280 HydrophobicContact CB-CB 4.43Å; V242-A280 HydrophobicContact CG1-CB 4.2Å; V242-A280 HydrophobicContact CG2-CB 3.91Å; A280-Q313 WeakPolarHBondContact O-CA 3.31Å; A280-L314 HydrophobicContact CB-CB 4.07Å; A280-L314 HydrophobicContact CB-CD1 4.28Å; A280-L314 HydrophobicContact CB-CG 4.42Å; A280-L314 PolarHBondContact N-O 2.97Å; A280-L314 PolarHBondContact O-N 3.19Å |
| 281 | L | 97.8 | Very high | 86.2 | Confident | 2 Ų | 2 | 39.6 Ų | 39.6 | 1% | 0.01 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 110.7 | 174.2 | -176.5 | 60.5 | 0 | 0 | 0 | 108.8 | F239 V240 Q241 T311 M505 W506 N509 | F239-L281 HydrophobicContact CE1-CB 4.47Å; F239-L281 HydrophobicContact CE1-CD2 4.26Å; F239-L281 HydrophobicContact CE1-CG 4.39Å; V240-L281 WeakPolarHBondContact CA-O 3.13Å; Q241-L281 PolarHBondContact N-O 3.32Å; Q241-L281 PolarHBondContact O-N 3.15Å; L281-T311 HydrophobicContact CD1-CG2 3.78Å; L281-M505 HydrophobicContact CB-CE 4.14Å; L281-M505 HydrophobicContact CD2-CB 4.33Å; L281-W506 HydrophobicContact CD1-CD2 4.46Å; L281-W506 HydrophobicContact CD1-CH2 4.06Å; L281-W506 HydrophobicContact CD1-CZ2 3.62Å; L281-W506 HydrophobicContact CD2-CD2 3.77Å; L281-W506 HydrophobicContact CD2-CE3 4.29Å; L281-W506 HydrophobicContact CD2-CG 3.92Å; L281-W506 HydrophobicContact CD2-CZ2 4.42Å; L281-N509 HydrophobicContact CD2-CB 3.84Å |
| 282 | I | 97.9 | Very high | 88.4 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 111.3 | -175.2 | -57.3 | 173.4 | 0 | 0 | 0 | 108.4 | L78 L184 I236 F239 V240 R284 T311 E312 L314 | L78-I282 HydrophobicContact CD1-CD1 4.11Å; L78-I282 HydrophobicContact CD2-CD1 4.31Å; L184-I282 HydrophobicContact CD2-CD1 4.33Å; I236-I282 HydrophobicContact CD1-CG2 4.37Å; F239-I282 CarbonylContact O-C 3.53Å; F239-I282 WeakPolarHBondContact O-CA 3.45Å; V240-I282 HydrophobicContact CG1-CG1 4.19Å; V240-I282 HydrophobicContact CG2-CG1 4.42Å; V240-I282 HydrophobicContact CG2-CG2 4.27Å; I282-R284 HydrophobicContact CG2-CG 3.99Å; I282-T311 CarbonylContact O-C 3.52Å; I282-T311 WeakPolarHBondContact O-CA 3.47Å; I282-E312 PolarHBondContact N-O 3.42Å; I282-E312 PolarHBondContact O-N 3.48Å; I282-L314 HydrophobicContact CD1-CD1 3.92Å |
| 283 | S | 97.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 135.4 | 166.3 | -66.8 | 0 | 0 | 0 | 0 | 110.5 | G238 F239 E310 T311 R328 N509 | G238-S283 CarbonylContact C-O 3.56Å; G238-S283 VanDerWaalsContact CA-O 3.27Å; G238-S283 WeakPolarHBondContact CA-O 3.27Å; F239-S283 PolarHBondContact N-O 3.29Å; F239-S283 PolarHBondContact O-N 3.37Å; S283-E310 CarbonylContact C-O 3.09Å; S283-E310 WeakPolarHBondContact CA-O 3.22Å; S283-T311 WeakPolarHBondContact OG-CG2 3.3Å; S283-T311 PolarHBondContact OG-OG1 3.42Å; S283-R328 PolarHBondContact OG-NH2 2.81Å; S283-N509 PolarHBondContact OG-ND2 2.88Å; S283-N509 VanDerWaalsContact OG-ND2 3.09Å; S283-N509 PolarHBondContact OG-OD1 3.47Å |
| 284 | R | 96.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 114.9 | -178.3 | -57.9 | -179.4 | -90.3 | -97.6 | -1.9 | 109.2 | L184 T185 N186 F210 I236 I282 V309 E310 E312 | L184-R284 WeakPolarHBondContact O-CD 3.22Å; T185-R284 WeakPolarHBondContact O-CD 3.42Å; N186-R284 PolarHBondContact O-NH1 3.18Å; F210-R284 HydrophobicContact CB-CB 4.27Å; F210-R284 HydrophobicContact CD1-CB 3.5Å; F210-R284 HydrophobicContact CD2-CB 4.19Å; F210-R284 HydrophobicContact CE1-CB 3.8Å; F210-R284 WeakPolarHBondContact CE1-O 3.48Å; F210-R284 HydrophobicContact CE2-CB 4.42Å; F210-R284 HydrophobicContact CG-CB 3.72Å; F210-R284 HydrophobicContact CZ-CB 4.25Å; I236-R284 HydrophobicContact CD1-CG 4.12Å; I282-R284 HydrophobicContact CG2-CG 3.99Å; R284-V309 CarbonylContact O-C 3.59Å; R284-V309 VanDerWaalsContact O-CA 3.24Å; R284-V309 WeakPolarHBondContact O-CA 3.24Å; R284-V309 WeakPolarHBondContact O-CG1 3.34Å; R284-E310 IonicContact CZ-OE1 2.74Å; R284-E310 VanDerWaalsContact CZ-OE1 3.25Å; R284-E310 PolarHBondContact N-O 2.62Å; R284-E310 IonicContact NE-OE1 2.65Å; R284-E310 PolarHBondContact NE-OE1 3.36Å; R284-E310 IonicContact NH2-OE1 3.73Å; R284-E310 PolarHBondContact NH2-OE1 2.86Å; R284-E310 PolarHBondContact O-N 2.73Å; R284-E312 IonicContact CZ-OE2 3.16Å; R284-E312 IonicContact NH1-OE2 3.23Å; R284-E312 PolarHBondContact NH1-OE2 3.11Å; R284-E312 IonicContact NH2-OE2 3.19Å; R284-E312 PolarHBondContact NH2-OE2 3.32Å |
| 285 | R | 94.8 | Very high | 90.7 | Very high | 5 Ų | 5 | 25.1 Ų | 25.1 | 2% | 0.019 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 130.4 | 177.1 | -175.2 | 179.9 | 179.9 | -161 | 18.8 | 109.6 | Q237 R287 G291 N307 V309 Q516 | Q237-R285 PolarHBondContact O-N 3.48Å; R285-R287 PolarHBondContact O-N 2.9Å; R285-G291 PolarHBondContact NH2-O 3.42Å; R285-N307 VanDerWaalsContact CZ-OD1 3.29Å; R285-N307 PolarHBondContact NE-OD1 3.1Å; R285-N307 VanDerWaalsContact NE-OD1 3.13Å; R285-N307 PolarHBondContact NH2-OD1 2.86Å; R285-V309 HydrophobicContact CB-CG2 4.14Å; R285-V309 HydrophobicContact CG-CG2 4.15Å; R285-Q516 PolarHBondContact NH1-O 2.86Å; R285-Q516 VanDerWaalsContact NH1-O 3.14Å; R285-Q516 PolarHBondContact NH2-O 2.97Å |
| 286 | S | 94.9 | Very high | 90.7 | Very high | 4 Ų | 4 | 25.1 Ų | 25.1 | 3% | 0.028 | 11% | 0.105 | C | C | . | . | trans | -57.9 | 134.2 | 174.6 | 170 | 0 | 0 | 0 | 0 | 111 | R209 H288 Y308 | R209-S286 CarbonylContact O-C 3.53Å; R209-S286 VanDerWaalsContact O-CA 3.29Å; R209-S286 WeakPolarHBondContact O-CA 3.46Å; S286-H288 PolarHBondContact OG-N 2.81Å; S286-H288 VanDerWaalsContact OG-N 3.14Å; S286-H288 PolarHBondContact OG-O 2.73Å; S286-Y308 WeakPolarHBondContact CB-O 3.45Å; S286-Y308 PolarHBondContact N-O 3.21Å | ||
| 287 | R | 92.4 | Very high | 90.7 | Very high | 41 Ų | 41 | 19.2 Ų | 19.2 | 16% | 0.155 | 8% | 0.083 | C | C | . | . | S | Bend | trans | -70.4 | -36.9 | 170.5 | 87.1 | -179.4 | -175 | 101.8 | -1 | 111 | D208 R209 F211 W212 R285 M567 | D208-R287 VanDerWaalsContact CG-NH2 3.33Å; D208-R287 WeakPolarHBondContact O-CD 3.25Å; D208-R287 PolarHBondContact O-NE 2.88Å; D208-R287 IonicContact OD1-CZ 3.76Å; D208-R287 IonicContact OD1-NH2 2.67Å; D208-R287 PolarHBondContact OD1-NH2 3.48Å; D208-R287 IonicContact OD2-CZ 2.78Å; D208-R287 IonicContact OD2-NE 3.39Å; D208-R287 PolarHBondContact OD2-NE 3.14Å; D208-R287 IonicContact OD2-NH2 2.75Å; D208-R287 PolarHBondContact OD2-NH2 2.79Å; R209-R287 PolarHBondContact O-N 2.94Å; F211-R287 VanDerWaalsContact O-CD 3.27Å; F211-R287 WeakPolarHBondContact O-CD 3.39Å; W212-R287 HydrophobicContact CE3-CB 4.08Å; R285-R287 PolarHBondContact O-N 2.9Å; R287-M567 HydrophobicContact CB-SD 3.55Å; R287-M567 VanDerWaalsContact CB-SD 3.55Å; R287-M567 HydrophobicContact CG-SD 4.19Å |
| 288 | H | 92.1 | Very high | 90.6 | Very high | 39 Ų | 39 | 19.1 Ų | 19.1 | 18% | 0.181 | 8% | 0.083 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | 135.2 | 173.8 | -44.3 | -75.8 | 0 | 0 | 0 | 111 | D208 S286 A290 H304 | D208-H288 IonicContact OD2-CE1 2.67Å; D208-H288 PolarHBondContact OD2-CE1 3.25Å; D208-H288 IonicContact OD2-NE2 3.12Å; S286-H288 PolarHBondContact OG-N 2.81Å; S286-H288 VanDerWaalsContact OG-N 3.14Å; S286-H288 PolarHBondContact OG-O 2.73Å; H288-A290 PolarHBondContact O-N 2.84Å; H288-A290 VanDerWaalsContact O-N 3.08Å; H288-H304 HydrophobicContact CB-CB 3.83Å; H288-H304 AromaticContact CD2-CD2 3.83Å; H288-H304 AromaticContact CD2-NE2 3.91Å; H288-H304 AromaticContact CG-CD2 3.75Å; H288-H304 AromaticContact CG-NE2 3.85Å |
| 289 | R | 90.1 | Very high | 90.6 | Very high | 56 Ų | 56 | 17.5 Ų | 17.5 | 21% | 0.211 | 7% | 0.072 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.2 | 29.4 | 179.9 | -153 | 174.4 | 172.2 | 76.4 | -6.7 | 114.7 | R297 G298 V299 D300 H304 A306 N307 | R289-R297 PolarHBondContact NE-O 2.78Å; R289-R297 PolarHBondContact NH2-O 2.86Å; R289-G298 WeakPolarHBondContact CD-O 3.38Å; R289-G298 PolarHBondContact NE-O 2.86Å; R289-V299 VanDerWaalsContact CZ-O 3.23Å; R289-V299 PolarHBondContact NE-O 3.43Å; R289-V299 PolarHBondContact NH2-O 3.15Å; R289-V299 VanDerWaalsContact NH2-O 3.11Å; R289-D300 WeakPolarHBondContact CD-OD2 3.32Å; R289-H304 HydrophobicContact CB-CB 4.43Å; R289-H304 WeakPolarHBondContact CD-O 3.27Å; R289-A306 HydrophobicContact CG-CB 3.92Å; R289-A306 WeakPolarHBondContact O-CA 3.21Å; R289-N307 PolarHBondContact O-N 2.79Å |
| 290 | A | 89.7 | Confident | 90.4 | Very high | 4 Ų | 4 | 18.5 Ų | 18.5 | 3% | 0.033 | 8% | 0.078 | C | C | . | . | trans | -66.2 | 142.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | W212 H288 Q560 I563 | W212-A290 HydrophobicContact CH2-CB 3.61Å; W212-A290 HydrophobicContact CZ3-CB 3.85Å; H288-A290 PolarHBondContact O-N 2.84Å; H288-A290 VanDerWaalsContact O-N 3.08Å; A290-Q560 PolarHBondContact O-NE2 3.23Å; A290-Q560 VanDerWaalsContact O-NE2 3.09Å; A290-I563 HydrophobicContact CB-CG2 3.98Å | ||
| 291 | G | 86.4 | Confident | 90.1 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 10% | 0.102 | C | C | . | . | trans | 171.5 | -178.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 117.5 | R285 N307 Y517 | R285-G291 PolarHBondContact NH2-O 3.42Å; G291-N307 PolarHBondContact N-OD1 2.97Å; G291-N307 PolarHBondContact O-ND2 3.01Å; G291-N307 PolarHBondContact O-OD1 3.06Å; G291-Y517 WeakPolarHBondContact O-CD2 3.41Å | ||
| 292 | M | 85.4 | Confident | 89.8 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 13% | 0.128 | C | C | . | . | trans | -80.2 | 154.4 | -173.8 | -59.4 | -54.8 | -67.4 | 0 | 0 | 113 | Y294 K295 R296 D556 R559 I563 | M292-Y294 PolarHBondContact O-N 2.94Å; M292-Y294 VanDerWaalsContact O-N 3.14Å; M292-K295 HydrophobicContact CB-CB 4.28Å; M292-K295 HydrophobicContact CB-CG 4.4Å; M292-K295 PolarHBondContact O-N 3.08Å; M292-R296 PolarHBondContact O-N 3.39Å; M292-D556 HydrophobicContact CB-CB 3.88Å; M292-D556 HydrophobicContact CE-CB 4.38Å; M292-D556 VanDerWaalsContact CE-CG 3.46Å; M292-D556 WeakPolarHBondContact CE-OD1 3.19Å; M292-D556 WeakPolarHBondContact CE-OD2 3.44Å; M292-D556 HydrophobicContact CG-CB 3.99Å; M292-D556 WeakPolarHBondContact CG-O 3.31Å; M292-R559 HydrophobicContact CE-CG 4.49Å; M292-R559 HydrophobicContact CG-CB 4.43Å; M292-R559 HydrophobicContact CG-CG 4.26Å; M292-R559 HydrophobicContact SD-CB 4.44Å; M292-R559 VanDerWaalsContact SD-CD 3.52Å; M292-R559 HydrophobicContact SD-CG 3.74Å; M292-I563 HydrophobicContact SD-CD1 4.42Å | ||
| 293 | R | 78.2 | Confident | 89.5 | Confident | 23 Ų | 23 | 27.6 Ų | 27.6 | 9% | 0.087 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.2 | -42.1 | -164 | 178.3 | 172.6 | 173.1 | -158.8 | -6.5 | 116.8 | R297 D461 Y517 | R293-R297 PolarHBondContact O-NE 2.79Å; R293-D461 IonicContact CZ-OD1 3.81Å; R293-D461 VanDerWaalsContact CZ-OD1 3.26Å; R293-D461 IonicContact CZ-OD2 2.77Å; R293-D461 IonicContact NE-OD1 3.55Å; R293-D461 PolarHBondContact NE-OD1 3.17Å; R293-D461 IonicContact NH2-OD1 3.32Å; R293-D461 PolarHBondContact NH2-OD1 3.32Å; R293-D461 IonicContact NH2-OD2 3.55Å; R293-D461 PolarHBondContact NH2-OD2 3.05Å; R293-Y517 HydrophobicContact CB-CD1 4.19Å; R293-Y517 HydrophobicContact CB-CE1 3.81Å; R293-Y517 HydrophobicContact CB-CE2 4.17Å; R293-Y517 HydrophobicContact CG-CD1 4.47Å; R293-Y517 HydrophobicContact CG-CE1 3.71Å; R293-Y517 PolarHBondContact N-O 3.09Å |
| 294 | Y | 74.9 | Confident | 89.4 | Confident | 49 Ų | 49 | 29 Ų | 29 | 19% | 0.192 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.1 | 6.7 | 176.7 | -54.7 | -54.8 | 0 | 0 | 0 | 113.4 | M292 Q337 P344 N552 | M292-Y294 PolarHBondContact O-N 2.94Å; M292-Y294 VanDerWaalsContact O-N 3.14Å; Y294-Q337 HydrophobicContact CD1-CB 3.88Å; Y294-P344 HydrophobicContact CD1-CG 4.09Å; Y294-P344 HydrophobicContact CE1-CG 4.08Å; Y294-P344 HydrophobicContact CG-CG 4.4Å; Y294-N552 HydrophobicContact CD2-CB 4.03Å; Y294-N552 WeakPolarHBondContact CD2-OD1 3.36Å; Y294-N552 HydrophobicContact CE2-CB 4.28Å; Y294-N552 WeakPolarHBondContact CE2-OD1 3.28Å |
| 295 | K | 80 | Confident | 89.2 | Confident | 73 Ų | 73 | 29.1 Ų | 29.1 | 32% | 0.317 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | -38.5 | 178.8 | -70.4 | -63.9 | -170 | 178.2 | 0 | 113.9 | M292 Q560 D574 | M292-K295 HydrophobicContact CB-CB 4.28Å; M292-K295 HydrophobicContact CB-CG 4.4Å; M292-K295 PolarHBondContact O-N 3.08Å; K295-Q560 HydrophobicContact CB-CG 4.32Å; K295-D574 IonicContact NZ-OD2 3.09Å; K295-D574 PolarHBondContact NZ-OD2 2.84Å |
| 296 | R | 85.6 | Confident | 89.1 | Confident | 55 Ų | 55 | 29 Ų | 29 | 21% | 0.208 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -127.6 | 115.1 | 176.4 | -57.3 | -64.9 | -170.4 | -175.7 | 3.5 | 110.7 | M292 A306 N307 D564 | M292-R296 PolarHBondContact O-N 3.39Å; R296-A306 HydrophobicContact CB-CB 4.13Å; R296-A306 WeakPolarHBondContact O-CB 3.46Å; R296-N307 PolarHBondContact O-ND2 2.7Å; R296-D564 IonicContact CZ-OD1 3.41Å; R296-D564 IonicContact CZ-OD2 3.04Å; R296-D564 IonicContact NE-OD1 3.56Å; R296-D564 IonicContact NH2-OD1 3.35Å; R296-D564 PolarHBondContact NH2-OD1 2.83Å; R296-D564 IonicContact NH2-OD2 3.57Å; R296-D564 PolarHBondContact NH2-OD2 2.95Å |
| 297 | R | 89.6 | Confident | 88.9 | Confident | 11 Ų | 11 | 29.6 Ų | 29.6 | 4% | 0.042 | 14% | 0.14 | C | C | . | . | trans | -141.9 | 165.5 | 175.7 | -71.5 | -171.7 | 172.8 | -98.7 | 20.7 | 110.2 | R289 R293 W335 M460 D461 Y517 | R289-R297 PolarHBondContact NE-O 2.78Å; R289-R297 PolarHBondContact NH2-O 2.86Å; R293-R297 PolarHBondContact O-NE 2.79Å; R297-W335 HydrophobicContact CB-CD2 4.34Å; R297-W335 HydrophobicContact CB-CZ2 4.41Å; R297-M460 PolarHBondContact NH1-O 2.81Å; R297-D461 IonicContact CZ-OD1 2.87Å; R297-D461 IonicContact NH2-OD1 2.86Å; R297-D461 PolarHBondContact NH2-OD1 3.4Å; R297-Y517 PolarHBondContact NH1-OH 3.45Å | ||
| 298 | G | 91.4 | Very high | 89 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.135 | C | C | . | . | S | Bend | trans | 68.9 | -170.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | R289 A306 S330 V331 V333 W335 | R289-G298 WeakPolarHBondContact CD-O 3.38Å; R289-G298 PolarHBondContact NE-O 2.86Å; G298-A306 PolarHBondContact O-N 3.43Å; G298-S330 PolarHBondContact N-OG 3.49Å; G298-V331 WeakPolarHBondContact CA-O 3.36Å; G298-V333 CarbonylContact C-O 3.58Å; G298-V333 WeakPolarHBondContact CA-O 3.47Å; G298-W335 VanDerWaalsContact CA-CD1 3.45Å |
| 299 | V | 93.8 | Very high | 89.1 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.127 | C | C | . | . | B | Isolated β-bridge | trans | -87 | 161.6 | 173.6 | 75.9 | 0 | 0 | 0 | 0 | 111.7 | R289 H304 V305 V333 F334 | R289-V299 VanDerWaalsContact CZ-O 3.23Å; R289-V299 PolarHBondContact NE-O 3.43Å; R289-V299 PolarHBondContact NH2-O 3.15Å; R289-V299 VanDerWaalsContact NH2-O 3.11Å; V299-H304 CarbonylContact C-O 3.03Å; V299-H304 WeakPolarHBondContact CA-O 3.49Å; V299-V305 HydrophobicContact CB-CG1 4.31Å; V299-V305 HydrophobicContact CG2-CG1 4.23Å; V299-V333 PolarHBondContact N-O 3.21Å; V299-F334 HydrophobicContact CG1-CD2 3.85Å; V299-F334 HydrophobicContact CG1-CE1 4.28Å; V299-F334 HydrophobicContact CG1-CE2 3.52Å; V299-F334 HydrophobicContact CG1-CG 4.35Å; V299-F334 HydrophobicContact CG1-CZ 3.75Å; V299-F334 WeakPolarHBondContact O-CE1 3.47Å |
| 300 | D | 91.9 | Very high | 89.5 | Confident | 23 Ų | 23 | 23.8 Ų | 23.8 | 12% | 0.123 | 12% | 0.117 | C | C | . | . | trans | -103.5 | -170.5 | 164.6 | 51.8 | 37.6 | 0 | 0 | 0 | 112.9 | R289 D302 G303 H304 F334 | R289-D300 WeakPolarHBondContact CD-OD2 3.32Å; D300-D302 PolarHBondContact O-N 3Å; D300-D302 PolarHBondContact OD1-N 3.46Å; D300-G303 PolarHBondContact OD1-N 3.31Å; D300-H304 PolarHBondContact N-O 3.37Å; D300-H304 PolarHBondContact OD1-N 2.67Å; D300-H304 IonicContact OD1-ND1 2.7Å; D300-F334 WeakPolarHBondContact O-CZ 3.47Å | ||
| 301 | T | 91.4 | Very high | 89.9 | Confident | 88 Ų | 88 | 23.7 Ų | 23.7 | 54% | 0.54 | 12% | 0.116 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -14.2 | 176.2 | 43.8 | 0 | 0 | 0 | 0 | 114.2 | Y358 | T301-Y358 HydrophobicContact CG2-CE1 4.3Å; T301-Y358 VanDerWaalsContact O-CD1 3.23Å; T301-Y358 WeakPolarHBondContact O-CD1 3.46Å; T301-Y358 VanDerWaalsContact O-CE1 3.27Å; T301-Y358 WeakPolarHBondContact O-CE1 3.29Å |
| 302 | D | 90.8 | Very high | 90.4 | Very high | 105 Ų | 105 | 23.7 Ų | 23.7 | 56% | 0.561 | 12% | 0.116 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -111.9 | 8.1 | -167.7 | -50.7 | -0.1 | 0 | 0 | 0 | 110.6 | D300 H304 | D300-D302 PolarHBondContact O-N 3Å; D300-D302 PolarHBondContact OD1-N 3.46Å; D302-H304 VanDerWaalsContact C-N 3.34Å |
| 303 | G | 92.5 | Very high | 91 | Very high | 4 Ų | 4 | 23.9 Ų | 23.9 | 4% | 0.041 | 12% | 0.117 | C | C | . | . | S | Bend | trans | 77.4 | 10.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | D300 H362 | D300-G303 PolarHBondContact OD1-N 3.31Å; G303-H362 WeakPolarHBondContact O-CB 3.47Å; G303-H362 PolarHBondContact O-ND1 2.91Å |
| 304 | H | 94.2 | Very high | 91.9 | Very high | 30 Ų | 30 | 23 Ų | 23 | 14% | 0.139 | 11% | 0.114 | C | C | . | . | P | Polyproline II helix | trans | -87.8 | 128.7 | 177 | -52.4 | 107 | 0 | 0 | 0 | 110.8 | H288 R289 V299 D300 D302 K365 | H288-H304 HydrophobicContact CB-CB 3.83Å; H288-H304 AromaticContact CD2-CD2 3.83Å; H288-H304 AromaticContact CD2-NE2 3.91Å; H288-H304 AromaticContact CG-CD2 3.75Å; H288-H304 AromaticContact CG-NE2 3.85Å; R289-H304 HydrophobicContact CB-CB 4.43Å; R289-H304 WeakPolarHBondContact CD-O 3.27Å; V299-H304 CarbonylContact C-O 3.03Å; V299-H304 WeakPolarHBondContact CA-O 3.49Å; D300-H304 PolarHBondContact N-O 3.37Å; D300-H304 PolarHBondContact OD1-N 2.67Å; D300-H304 IonicContact OD1-ND1 2.7Å; D302-H304 VanDerWaalsContact C-N 3.34Å; H304-K365 PolarHBondContact NE2-NZ 2.89Å |
| 305 | V | 93.9 | Very high | 92.9 | Very high | 2 Ų | 2 | 20.6 Ų | 20.6 | 1% | 0.012 | 11% | 0.105 | C | C | . | . | B | Isolated β-bridge | trans | -88.3 | 141.1 | 173.9 | -64.3 | 0 | 0 | 0 | 0 | 111.6 | V299 N307 Y308 P332 | V299-V305 HydrophobicContact CB-CG1 4.31Å; V299-V305 HydrophobicContact CG2-CG1 4.23Å; V305-N307 PolarHBondContact O-N 2.98Å; V305-Y308 HydrophobicContact CG2-CD2 3.82Å; V305-Y308 HydrophobicContact CG2-CG 4.37Å; V305-Y308 PolarHBondContact O-N 3.42Å; V305-P332 HydrophobicContact CG1-CB 3.59Å |
| 306 | A | 91.6 | Very high | 93.5 | Very high | 1 Ų | 1 | 19.1 Ų | 19.1 | 1% | 0.008 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | 132.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111 | R289 R296 G298 Y308 S330 | R289-A306 HydrophobicContact CG-CB 3.92Å; R289-A306 WeakPolarHBondContact O-CA 3.21Å; R296-A306 HydrophobicContact CB-CB 4.13Å; R296-A306 WeakPolarHBondContact O-CB 3.46Å; G298-A306 PolarHBondContact O-N 3.43Å; A306-Y308 VanDerWaalsContact C-N 3.3Å; A306-Y308 PolarHBondContact O-N 3.03Å; A306-S330 VanDerWaalsContact O-CB 3.31Å; A306-S330 WeakPolarHBondContact O-CB 3.47Å; A306-S330 PolarHBondContact O-N 3.42Å |
| 307 | N | 90.6 | Very high | 93.9 | Very high | 18 Ų | 18 | 16.8 Ų | 16.8 | 10% | 0.096 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56 | 40.2 | 174 | -59.2 | -67.9 | 0 | 0 | 0 | 114.6 | R285 R289 G291 R296 V305 Y517 | R285-N307 VanDerWaalsContact CZ-OD1 3.29Å; R285-N307 PolarHBondContact NE-OD1 3.1Å; R285-N307 VanDerWaalsContact NE-OD1 3.13Å; R285-N307 PolarHBondContact NH2-OD1 2.86Å; R289-N307 PolarHBondContact O-N 2.79Å; G291-N307 PolarHBondContact N-OD1 2.97Å; G291-N307 PolarHBondContact O-ND2 3.01Å; G291-N307 PolarHBondContact O-OD1 3.06Å; R296-N307 PolarHBondContact O-ND2 2.7Å; V305-N307 PolarHBondContact O-N 2.98Å; N307-Y517 HydrophobicContact CB-CD2 4.18Å; N307-Y517 HydrophobicContact CB-CE2 4.25Å; N307-Y517 VanDerWaalsContact ND2-CE2 3.3Å; N307-Y517 WeakPolarHBondContact ND2-CE2 3.35Å |
| 308 | Y | 94.5 | Very high | 93.8 | Very high | 9 Ų | 9 | 24.3 Ų | 24.3 | 4% | 0.035 | 13% | 0.126 | C | C | . | . | trans | -57.3 | 134.6 | 164.9 | -172.7 | -96.5 | 0 | 0 | 0 | 110.8 | R209 F210 S286 V305 A306 T327 R328 Q366 Y370 | R209-Y308 PolarHBondContact NH1-OH 3.08Å; F210-Y308 HydrophobicContact CE1-CD1 4.38Å; F210-Y308 HydrophobicContact CZ-CD1 4.3Å; F210-Y308 HydrophobicContact CZ-CE1 4.07Å; S286-Y308 WeakPolarHBondContact CB-O 3.45Å; S286-Y308 PolarHBondContact N-O 3.21Å; V305-Y308 HydrophobicContact CG2-CD2 3.82Å; V305-Y308 HydrophobicContact CG2-CG 4.37Å; V305-Y308 PolarHBondContact O-N 3.42Å; A306-Y308 VanDerWaalsContact C-N 3.3Å; A306-Y308 PolarHBondContact O-N 3.03Å; Y308-T327 HydrophobicContact CE1-CG2 4.37Å; Y308-T327 HydrophobicContact CE2-CG2 4.22Å; Y308-T327 VanDerWaalsContact OH-CG2 3.23Å; Y308-T327 WeakPolarHBondContact OH-CG2 3.49Å; Y308-R328 CarbonylContact C-O 3.51Å; Y308-R328 WeakPolarHBondContact CA-O 3.33Å; Y308-Q366 PolarHBondContact OH-NE2 3.23Å; Y308-Q366 PolarHBondContact OH-OE1 3.01Å; Y308-Y370 VanDerWaalsContact OH-CE2 3.3Å; Y308-Y370 WeakPolarHBondContact OH-CE2 3.4Å; Y308-Y370 PolarHBondContact OH-OH 2.84Å | ||
| 309 | V | 95.6 | Very high | 93.6 | Very high | 5 Ų | 5 | 26.2 Ų | 26.2 | 3% | 0.03 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 127.9 | 174.9 | -179 | 0 | 0 | 0 | 0 | 108.8 | R284 R285 T327 R328 I513 | R284-V309 CarbonylContact O-C 3.59Å; R284-V309 VanDerWaalsContact O-CA 3.24Å; R284-V309 WeakPolarHBondContact O-CA 3.24Å; R284-V309 WeakPolarHBondContact O-CG1 3.34Å; R285-V309 HydrophobicContact CB-CG2 4.14Å; R285-V309 HydrophobicContact CG-CG2 4.15Å; V309-T327 WeakPolarHBondContact O-CA 3.47Å; V309-R328 HydrophobicContact CB-CG 3.82Å; V309-R328 PolarHBondContact N-O 2.84Å; V309-R328 PolarHBondContact O-N 2.71Å; V309-I513 HydrophobicContact CG2-CG2 4.35Å |
| 310 | E | 97.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 130.9 | 165.1 | -174.7 | 179.4 | 83.2 | 0 | 0 | 108.3 | R190 R209 F210 S283 R284 V325 T327 Y370 | R190-E310 IonicContact CZ-OE1 3.95Å; R190-E310 IonicContact CZ-OE2 3.64Å; R190-E310 IonicContact NH1-OE1 2.65Å; R190-E310 PolarHBondContact NH1-OE1 3.28Å; R190-E310 IonicContact NH1-OE2 3.48Å; R190-E310 PolarHBondContact NH1-OE2 2.91Å; R190-E310 IonicContact NH2-OE1 2.72Å; R190-E310 PolarHBondContact NH2-OE1 3.17Å; R190-E310 IonicContact NH2-OE2 2.72Å; R190-E310 PolarHBondContact NH2-OE2 2.88Å; R209-E310 IonicContact NH2-OE2 2.97Å; F210-E310 HydrophobicContact CE1-CB 4.29Å; F210-E310 HydrophobicContact CE2-CB 4.1Å; F210-E310 HydrophobicContact CZ-CB 3.54Å; S283-E310 CarbonylContact C-O 3.09Å; S283-E310 WeakPolarHBondContact CA-O 3.22Å; R284-E310 IonicContact CZ-OE1 2.74Å; R284-E310 VanDerWaalsContact CZ-OE1 3.25Å; R284-E310 PolarHBondContact N-O 2.62Å; R284-E310 IonicContact NE-OE1 2.65Å; R284-E310 PolarHBondContact NE-OE1 3.36Å; R284-E310 IonicContact NH2-OE1 3.73Å; R284-E310 PolarHBondContact NH2-OE1 2.86Å; R284-E310 PolarHBondContact O-N 2.73Å; E310-V325 HydrophobicContact CG-CG1 3.34Å; E310-T327 HydrophobicContact CB-CG2 4.49Å; E310-T327 HydrophobicContact CG-CG2 4.48Å; E310-Y370 WeakPolarHBondContact OE2-CE1 3.27Å; E310-Y370 PolarHBondContact OE2-OH 2.83Å |
| 311 | T | 97.9 | Very high | 93.7 | Very high | 2 Ų | 2 | 28.4 Ų | 28.4 | 1% | 0.012 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 114.7 | 177.2 | -53.2 | 0 | 0 | 0 | 0 | 108.2 | L281 I282 S283 V325 Q326 R328 W506 | L281-T311 HydrophobicContact CD1-CG2 3.78Å; I282-T311 CarbonylContact O-C 3.52Å; I282-T311 WeakPolarHBondContact O-CA 3.47Å; S283-T311 WeakPolarHBondContact OG-CG2 3.3Å; S283-T311 PolarHBondContact OG-OG1 3.42Å; T311-V325 CarbonylContact O-C 3.58Å; T311-V325 WeakPolarHBondContact O-CA 3.1Å; T311-Q326 PolarHBondContact N-O 3.05Å; T311-Q326 PolarHBondContact O-N 2.84Å; T311-R328 PolarHBondContact OG1-NH2 2.88Å; T311-W506 HydrophobicContact CG2-CH2 3.57Å; T311-W506 HydrophobicContact CG2-CZ2 4.38Å; T311-W506 HydrophobicContact CG2-CZ3 3.98Å |
| 312 | E | 97.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 130.3 | 176.8 | 175.9 | 176 | -138.1 | 0 | 0 | 110.1 | S187 V188 I282 R284 L314 S323 F324 V325 | S187-E312 WeakPolarHBondContact CA-OE1 3.5Å; S187-E312 WeakPolarHBondContact CA-OE2 3.35Å; S187-E312 WeakPolarHBondContact CB-OE1 3.27Å; V188-E312 PolarHBondContact N-OE1 2.72Å; I282-E312 PolarHBondContact N-O 3.42Å; I282-E312 PolarHBondContact O-N 3.48Å; R284-E312 IonicContact CZ-OE2 3.16Å; R284-E312 IonicContact NH1-OE2 3.23Å; R284-E312 PolarHBondContact NH1-OE2 3.11Å; R284-E312 IonicContact NH2-OE2 3.19Å; R284-E312 PolarHBondContact NH2-OE2 3.32Å; E312-L314 HydrophobicContact CG-CD2 3.61Å; E312-L314 HydrophobicContact CG-CG 4.18Å; E312-S323 PolarHBondContact OE1-OG 2.73Å; E312-S323 VanDerWaalsContact OE1-OG 3.07Å; E312-F324 WeakPolarHBondContact CA-O 3.48Å; E312-V325 HydrophobicContact CB-CG2 4.36Å; E312-V325 HydrophobicContact CG-CG2 4.23Å |
| 313 | Q | 97.7 | Very high | 94.1 | Very high | 4 Ų | 4 | 19.3 Ų | 19.3 | 2% | 0.019 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 126.1 | 168 | 176.3 | -177 | 22.7 | 0 | 0 | 108.2 | A280 I315 S323 F324 A474 M478 | A280-Q313 WeakPolarHBondContact O-CA 3.31Å; Q313-I315 HydrophobicContact CG-CD1 4.38Å; Q313-S323 WeakPolarHBondContact O-CA 3.41Å; Q313-F324 PolarHBondContact N-O 3.31Å; Q313-F324 PolarHBondContact O-N 2.75Å; Q313-A474 VanDerWaalsContact OE1-CB 3.23Å; Q313-A474 PolarHBondContact OE1-O 3Å; Q313-M478 PolarHBondContact NE2-SD 3.2Å; Q313-M478 VanDerWaalsContact NE2-SD 3.37Å |
| 314 | L | 96.3 | Very high | 94.4 | Very high | 3 Ų | 3 | 19.1 Ų | 19.1 | 2% | 0.016 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 135.2 | 172.5 | -53.8 | -178.4 | 0 | 0 | 0 | 110.1 | L78 V188 V279 A280 I282 E312 L322 | L78-L314 HydrophobicContact CD2-CD1 4.14Å; V188-L314 HydrophobicContact CB-CD2 4.43Å; V188-L314 HydrophobicContact CG2-CD1 4.2Å; V188-L314 HydrophobicContact CG2-CD2 3.58Å; V279-L314 WeakPolarHBondContact CA-O 3.36Å; A280-L314 HydrophobicContact CB-CB 4.07Å; A280-L314 HydrophobicContact CB-CD1 4.28Å; A280-L314 HydrophobicContact CB-CG 4.42Å; A280-L314 PolarHBondContact N-O 2.97Å; A280-L314 PolarHBondContact O-N 3.19Å; I282-L314 HydrophobicContact CD1-CD1 3.92Å; E312-L314 HydrophobicContact CG-CD2 3.61Å; E312-L314 HydrophobicContact CG-CG 4.18Å; L314-L322 CarbonylContact C-O 3.58Å; L314-L322 VanDerWaalsContact CA-O 3.28Å; L314-L322 WeakPolarHBondContact CA-O 3.41Å |
| 315 | I | 96.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 123.1 | 168.5 | -56.9 | -59.5 | 0 | 0 | 0 | 107.4 | F277 T278 V279 Q313 V317 L322 M478 Q481 L482 | F277-I315 HydrophobicContact CD2-CD1 4.43Å; F277-I315 HydrophobicContact CD2-CG2 4.14Å; F277-I315 HydrophobicContact CE2-CD1 4.38Å; T278-I315 WeakPolarHBondContact O-CA 3.31Å; V279-I315 HydrophobicContact CB-CD1 4.34Å; V279-I315 HydrophobicContact CG1-CD1 4.05Å; V279-I315 HydrophobicContact CG2-CD1 3.77Å; Q313-I315 HydrophobicContact CG-CD1 4.38Å; I315-V317 HydrophobicContact CG2-CG2 4.43Å; I315-L322 HydrophobicContact CB-CB 4.4Å; I315-L322 PolarHBondContact N-O 3.25Å; I315-L322 PolarHBondContact O-N 3.28Å; I315-M478 HydrophobicContact CD1-CG 3.64Å; I315-M478 HydrophobicContact CD1-SD 3.7Å; I315-M478 HydrophobicContact CG1-CG 4.12Å; I315-Q481 VanDerWaalsContact CG1-OE1 3.23Å; I315-L482 HydrophobicContact CG2-CD2 3.89Å |
| 316 | H | 94.3 | Very high | 94.7 | Very high | 41 Ų | 41 | 18 Ų | 18 | 19% | 0.19 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 130.6 | -178.9 | 176.7 | 60.4 | 0 | 0 | 0 | 111.6 | P79 F277 T278 H318 H320 T321 | P79-H316 HydrophobicContact CG-CB 3.68Å; P79-H316 VanDerWaalsContact CG-CG 3.45Å; F277-H316 WeakPolarHBondContact CA-O 3.18Å; T278-H316 PolarHBondContact N-O 3.48Å; T278-H316 PolarHBondContact O-N 2.73Å; H316-H318 PolarHBondContact CE1-O 3.09Å; H316-H318 PolarHBondContact NE2-O 2.87Å; H316-H320 WeakPolarHBondContact CA-O 3.38Å; H316-H320 PolarHBondContact ND1-O 3.21Å; H316-T321 PolarHBondContact ND1-OG1 3.28Å |
| 317 | V | 92.9 | Very high | 94.9 | Very high | 6 Ų | 6 | 18 Ų | 18 | 4% | 0.036 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 114.6 | -174.2 | 174.3 | 0 | 0 | 0 | 0 | 108.2 | F277 I315 S319 H320 L485 V487 | F277-V317 HydrophobicContact CB-CG2 3.58Å; I315-V317 HydrophobicContact CG2-CG2 4.43Å; V317-S319 PolarHBondContact O-N 2.96Å; V317-H320 PolarHBondContact N-O 3.14Å; V317-H320 PolarHBondContact O-N 3.05Å; V317-L485 HydrophobicContact CB-CD1 4.1Å; V317-L485 HydrophobicContact CG2-CD1 3.84Å; V317-V487 HydrophobicContact CG1-CG2 3.75Å; V317-V487 HydrophobicContact CG2-CG2 4.02Å |
| 318 | H | 87.4 | Confident | 95.1 | Very high | 169 Ų | 169 | 17.4 Ų | 17.4 | 78% | 0.782 | 9% | 0.088 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.1 | -105.7 | -177.7 | -57.5 | 103.6 | 0 | 0 | 0 | 113.3 | H316 | H316-H318 PolarHBondContact CE1-O 3.09Å; H316-H318 PolarHBondContact NE2-O 2.87Å |
| 319 | S | 88.4 | Confident | 95 | Very high | 40 Ų | 40 | 17.8 Ų | 17.8 | 28% | 0.28 | 9% | 0.094 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | -12.5 | 177.7 | 49.6 | 0 | 0 | 0 | 0 | 113.7 | V317 | V317-S319 PolarHBondContact O-N 2.96Š|
| 320 | H | 92.4 | Very high | 94.8 | Very high | 49 Ų | 49 | 18.1 Ų | 18.1 | 23% | 0.227 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 135.4 | -172 | -61.5 | -61.5 | 0 | 0 | 0 | 111.9 | H316 V317 L322 W441 D443 L485 | H316-H320 WeakPolarHBondContact CA-O 3.38Å; H316-H320 PolarHBondContact ND1-O 3.21Å; V317-H320 PolarHBondContact N-O 3.14Å; V317-H320 PolarHBondContact O-N 3.05Å; H320-L322 HydrophobicContact CB-CD1 3.91Å; H320-W441 AromaticContact CG-NE1 3.5Å; H320-W441 AromaticContact ND1-NE1 3.3Å; H320-W441 PolarHBondContact ND1-NE1 2.69Å; H320-D443 WeakPolarHBondContact ND1-CB 3.45Å; H320-L485 HydrophobicContact CB-CD2 4.21Å |
| 321 | T | 94.1 | Very high | 94.6 | Very high | 21 Ų | 21 | 18.1 Ų | 18.1 | 13% | 0.129 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 118.7 | 173.4 | -55.5 | 0 | 0 | 0 | 0 | 109.2 | P79 V188 H316 V442 | P79-T321 HydrophobicContact CG-CG2 4.12Å; V188-T321 HydrophobicContact CG1-CG2 4.46Å; V188-T321 HydrophobicContact CG2-CG2 4.4Å; H316-T321 PolarHBondContact ND1-OG1 3.28Å; T321-V442 PolarHBondContact N-O 3.32Å; T321-V442 PolarHBondContact O-N 3.13Å |
| 322 | L | 95.9 | Very high | 94.4 | Very high | 1 Ų | 1 | 18 Ų | 18 | 1% | 0.005 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 136.3 | -178.2 | -69.6 | 67.4 | 0 | 0 | 0 | 108.4 | L314 I315 H320 A440 W441 Q481 L485 | L314-L322 CarbonylContact C-O 3.58Å; L314-L322 VanDerWaalsContact CA-O 3.28Å; L314-L322 WeakPolarHBondContact CA-O 3.41Å; I315-L322 HydrophobicContact CB-CB 4.4Å; I315-L322 PolarHBondContact N-O 3.25Å; I315-L322 PolarHBondContact O-N 3.28Å; H320-L322 HydrophobicContact CB-CD1 3.91Å; L322-A440 CarbonylContact C-O 3.47Å; L322-A440 VanDerWaalsContact CA-O 3.25Å; L322-A440 WeakPolarHBondContact CA-O 3.16Å; L322-W441 HydrophobicContact CD1-CD2 4.47Å; L322-W441 HydrophobicContact CD1-CG 4.01Å; L322-W441 HydrophobicContact CD2-CG 4.46Å; L322-W441 HydrophobicContact CG-CB 4.21Å; L322-W441 HydrophobicContact CG-CD2 4.37Å; L322-W441 HydrophobicContact CG-CG 3.84Å; L322-Q481 HydrophobicContact CD2-CB 3.83Å; L322-Q481 HydrophobicContact CD2-CG 3.81Å; L322-L485 HydrophobicContact CD1-CD1 3.86Å; L322-L485 HydrophobicContact CD1-CD2 4.23Å; L322-L485 HydrophobicContact CD2-CD1 3.81Å; L322-L485 HydrophobicContact CD2-CG 4.2Å |
| 323 | S | 96 | Very high | 94.2 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 125.3 | -175.7 | 147.3 | 0 | 0 | 0 | 0 | 110.1 | E312 Q313 A440 | E312-S323 PolarHBondContact OE1-OG 2.73Å; E312-S323 VanDerWaalsContact OE1-OG 3.07Å; Q313-S323 WeakPolarHBondContact O-CA 3.41Å; S323-A440 PolarHBondContact N-O 2.98Å; S323-A440 PolarHBondContact O-N 2.85Å |
| 324 | F | 97.6 | Very high | 93.9 | Very high | 1 Ų | 1 | 18.7 Ų | 18.7 | 0% | 0.004 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 120.6 | 170.9 | 177.4 | -121.4 | 0 | 0 | 0 | 110.4 | E312 Q313 Q326 W439 F455 I473 A474 V477 | E312-F324 WeakPolarHBondContact CA-O 3.48Å; Q313-F324 PolarHBondContact N-O 3.31Å; Q313-F324 PolarHBondContact O-N 2.75Å; F324-Q326 HydrophobicContact CD1-CG 4.34Å; F324-Q326 HydrophobicContact CE1-CG 3.61Å; F324-Q326 HydrophobicContact CZ-CG 3.73Å; F324-W439 HydrophobicContact CB-CB 4.46Å; F324-F455 HydrophobicContact CZ-CD2 4.08Å; F324-F455 HydrophobicContact CZ-CE2 4.48Å; F324-I473 HydrophobicContact CE1-CG2 3.91Å; F324-I473 HydrophobicContact CZ-CG2 3.75Å; F324-A474 HydrophobicContact CD1-CB 4.41Å; F324-A474 HydrophobicContact CE1-CB 4.44Å; F324-V477 HydrophobicContact CB-CG1 3.91Å; F324-V477 HydrophobicContact CD1-CB 3.98Å; F324-V477 HydrophobicContact CD1-CG1 4.05Å; F324-V477 HydrophobicContact CD1-CG2 4.07Å; F324-V477 HydrophobicContact CD2-CG1 4.03Å; F324-V477 HydrophobicContact CD2-CG2 4.22Å; F324-V477 HydrophobicContact CE1-CB 4.18Å; F324-V477 HydrophobicContact CE1-CG2 3.8Å; F324-V477 HydrophobicContact CE2-CG2 3.98Å; F324-V477 HydrophobicContact CG-CB 4.17Å; F324-V477 HydrophobicContact CG-CG1 3.73Å; F324-V477 HydrophobicContact CG-CG2 4.27Å; F324-V477 HydrophobicContact CZ-CG2 3.76Å |
| 325 | V | 97.6 | Very high | 93.7 | Very high | 6 Ų | 6 | 18.6 Ų | 18.6 | 4% | 0.036 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 137.3 | -174.3 | -166 | 0 | 0 | 0 | 0 | 110.2 | E310 T311 E312 Q451 I454 | E310-V325 HydrophobicContact CG-CG1 3.34Å; T311-V325 CarbonylContact O-C 3.58Å; T311-V325 WeakPolarHBondContact O-CA 3.1Å; E312-V325 HydrophobicContact CB-CG2 4.36Å; E312-V325 HydrophobicContact CG-CG2 4.23Å; V325-Q451 PolarHBondContact O-NE2 2.82Å; V325-I454 HydrophobicContact CB-CD1 4.13Å; V325-I454 HydrophobicContact CG1-CD1 3.86Å; V325-I454 WeakPolarHBondContact O-CG1 3.46Å |
| 326 | Q | 97.1 | Very high | 93.2 | Very high | 2 Ų | 2 | 20 Ų | 20 | 1% | 0.009 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 157.9 | 173 | -66.6 | -178.4 | 75.4 | 0 | 0 | 110.1 | T311 F324 Q470 | T311-Q326 PolarHBondContact N-O 3.05Å; T311-Q326 PolarHBondContact O-N 2.84Å; F324-Q326 HydrophobicContact CD1-CG 4.34Å; F324-Q326 HydrophobicContact CE1-CG 3.61Å; F324-Q326 HydrophobicContact CZ-CG 3.73Å; Q326-Q470 HydrophobicContact CB-CG 4.49Å; Q326-Q470 PolarHBondContact NE2-O 3.41Å |
| 327 | T | 96.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 157.9 | 176.6 | 53.2 | 0 | 0 | 0 | 0 | 112.4 | Y308 V309 E310 Y370 I454 F455 R456 V457 Q470 | Y308-T327 HydrophobicContact CE1-CG2 4.37Å; Y308-T327 HydrophobicContact CE2-CG2 4.22Å; Y308-T327 VanDerWaalsContact OH-CG2 3.23Å; Y308-T327 WeakPolarHBondContact OH-CG2 3.49Å; V309-T327 WeakPolarHBondContact O-CA 3.47Å; E310-T327 HydrophobicContact CB-CG2 4.49Å; E310-T327 HydrophobicContact CG-CG2 4.48Å; T327-Y370 HydrophobicContact CG2-CE2 4.42Å; T327-I454 HydrophobicContact CG2-CD1 3.64Å; T327-I454 HydrophobicContact CG2-CG1 4.4Å; T327-F455 PolarHBondContact N-O 3.31Å; T327-F455 PolarHBondContact OG1-O 2.75Å; T327-R456 WeakPolarHBondContact O-CA 3.23Å; T327-R456 WeakPolarHBondContact OG1-CA 3.45Å; T327-R456 WeakPolarHBondContact OG1-CB 3.36Å; T327-R456 WeakPolarHBondContact OG1-CG 3.3Å; T327-V457 PolarHBondContact O-N 3.45Å; T327-Q470 PolarHBondContact O-NE2 3.29Å; T327-Q470 VanDerWaalsContact O-NE2 3.11Å |
| 328 | R | 94.1 | Very high | 91.2 | Very high | 7 Ų | 7 | 21.4 Ų | 21.4 | 3% | 0.026 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 155.2 | 171.7 | 55.8 | -175.3 | 161.6 | -163.1 | 6.6 | 109 | S283 Y308 V309 T311 V457 N467 Q470 N509 | S283-R328 PolarHBondContact OG-NH2 2.81Å; Y308-R328 CarbonylContact C-O 3.51Å; Y308-R328 WeakPolarHBondContact CA-O 3.33Å; V309-R328 HydrophobicContact CB-CG 3.82Å; V309-R328 PolarHBondContact N-O 2.84Å; V309-R328 PolarHBondContact O-N 2.71Å; T311-R328 PolarHBondContact OG1-NH2 2.88Å; R328-V457 WeakPolarHBondContact CB-O 3.19Å; R328-N467 PolarHBondContact NH1-OD1 2.9Å; R328-Q470 VanDerWaalsContact CD-OE1 3.25Å; R328-Q470 VanDerWaalsContact CZ-OE1 3.24Å; R328-N509 PolarHBondContact NH2-OD1 3.17Å |
| 329 | G | 91.5 | Very high | 89.9 | Confident | 17 Ų | 17 | 15.8 Ų | 15.8 | 18% | 0.175 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 178.6 | -175.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 330 | S | 92 | Very high | 88.4 | Confident | 11 Ų | 11 | 21.3 Ų | 21.3 | 8% | 0.077 | 13% | 0.131 | C | C | . | . | trans | -65.2 | 155.5 | 170.5 | -144.8 | 0 | 0 | 0 | 0 | 111.6 | G298 A306 | G298-S330 PolarHBondContact N-OG 3.49Å; A306-S330 VanDerWaalsContact O-CB 3.31Å; A306-S330 WeakPolarHBondContact O-CB 3.47Å; A306-S330 PolarHBondContact O-N 3.42Å | ||
| 331 | V | 92.6 | Very high | 86.7 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 16% | 0.157 | C | C | . | . | trans | -63.6 | 128.7 | 170.1 | 174.1 | 0 | 0 | 0 | 0 | 108.6 | G298 V333 W335 I388 Y392 | G298-V331 WeakPolarHBondContact CA-O 3.36Å; V331-V333 HydrophobicContact CG1-CG1 4.24Å; V331-V333 HydrophobicContact CG1-CG2 4.05Å; V331-V333 PolarHBondContact O-N 2.77Å; V331-W335 PolarHBondContact O-NE1 3.42Å; V331-I388 HydrophobicContact CB-CG2 3.89Å; V331-I388 HydrophobicContact CG1-CG2 3.91Å; V331-I388 HydrophobicContact CG2-CG2 3.85Å; V331-Y392 HydrophobicContact CG1-CD1 4Å; V331-Y392 HydrophobicContact CG1-CD2 3.91Å; V331-Y392 HydrophobicContact CG1-CG 3.6Å; V331-Y392 HydrophobicContact CG2-CD1 4.27Å | ||
| 332 | P | 93.9 | Very high | 85 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -75.7 | 50.4 | -172.3 | 28.9 | -33.7 | 0 | 0 | 0 | 114.4 | V305 F359 F363 Y392 | V305-P332 HydrophobicContact CG1-CB 3.59Å; P332-F359 HydrophobicContact CB-CD2 4.19Å; P332-F359 HydrophobicContact CG-CD2 3.87Å; P332-F359 HydrophobicContact CG-CE2 3.81Å; P332-F359 WeakPolarHBondContact O-CD2 3.26Å; P332-F363 HydrophobicContact CB-CE2 4.39Å; P332-F363 HydrophobicContact CG-CE2 3.52Å; P332-F363 HydrophobicContact CG-CZ 3.98Å; P332-Y392 HydrophobicContact CG-CD2 4.31Å; P332-Y392 HydrophobicContact CG-CE2 3.69Å |
| 333 | V | 93.6 | Very high | 83.6 | Confident | 3 Ų | 3 | 36.7 Ų | 36.7 | 2% | 0.018 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -122.7 | 165.6 | 172.2 | -54.6 | 0 | 0 | 0 | 0 | 110.4 | G298 V299 V331 W335 I348 T355 Q395 | G298-V333 CarbonylContact C-O 3.58Å; G298-V333 WeakPolarHBondContact CA-O 3.47Å; V299-V333 PolarHBondContact N-O 3.21Å; V331-V333 HydrophobicContact CG1-CG1 4.24Å; V331-V333 HydrophobicContact CG1-CG2 4.05Å; V331-V333 PolarHBondContact O-N 2.77Å; V333-W335 HydrophobicContact CG2-CB 4.21Å; V333-W335 VanDerWaalsContact CG2-CD1 3.49Å; V333-W335 HydrophobicContact CG2-CG 4.1Å; V333-W335 PolarHBondContact O-N 2.85Å; V333-I348 HydrophobicContact CG2-CD1 4.09Å; V333-T355 HydrophobicContact CB-CG2 3.87Å; V333-T355 HydrophobicContact CG1-CG2 4.02Å; V333-Q395 HydrophobicContact CG1-CG 4.06Å |
| 334 | F | 92.3 | Very high | 82.3 | Confident | 15 Ų | 15 | 37 Ų | 37 | 7% | 0.066 | 19% | 0.191 | C | C | . | . | trans | -81.8 | 106 | 172.1 | -71.4 | -89.7 | 0 | 0 | 0 | 109.7 | V299 D300 E349 K350 T355 Y358 | V299-F334 HydrophobicContact CG1-CD2 3.85Å; V299-F334 HydrophobicContact CG1-CE1 4.28Å; V299-F334 HydrophobicContact CG1-CE2 3.52Å; V299-F334 HydrophobicContact CG1-CG 4.35Å; V299-F334 HydrophobicContact CG1-CZ 3.75Å; V299-F334 WeakPolarHBondContact O-CE1 3.47Å; D300-F334 WeakPolarHBondContact O-CZ 3.47Å; F334-E349 HydrophobicContact CB-CB 4.23Å; F334-E349 PolarHBondContact O-N 2.97Å; F334-K350 HydrophobicContact CB-CB 3.91Å; F334-K350 HydrophobicContact CB-CD 4.21Å; F334-K350 HydrophobicContact CB-CG 3.81Å; F334-K350 HydrophobicContact CD1-CD 4.1Å; F334-K350 HydrophobicContact CD1-CG 4.42Å; F334-K350 HydrophobicContact CD2-CB 4.25Å; F334-K350 HydrophobicContact CD2-CD 3.6Å; F334-K350 HydrophobicContact CD2-CG 4.14Å; F334-K350 HydrophobicContact CE1-CD 4.42Å; F334-K350 HydrophobicContact CE2-CD 3.97Å; F334-K350 HydrophobicContact CG-CB 4.24Å; F334-K350 HydrophobicContact CG-CD 3.68Å; F334-K350 HydrophobicContact CG-CG 3.86Å; F334-K350 HydrophobicContact CZ-CD 4.37Å; F334-T355 HydrophobicContact CD2-CG2 4.16Å; F334-Y358 AromaticContact CE2-CD2 3.41Å; F334-Y358 HydrophobicContact CE2-CD2 3.41Å; F334-Y358 VanDerWaalsContact CE2-CD2 3.41Å; F334-Y358 HydrophobicContact CE2-CE2 4.06Å; F334-Y358 AromaticContact CE2-CG 3.69Å; F334-Y358 HydrophobicContact CE2-CG 3.69Å; F334-Y358 HydrophobicContact CZ-CD1 4.31Å; F334-Y358 AromaticContact CZ-CD2 3.83Å; F334-Y358 HydrophobicContact CZ-CD2 3.83Å; F334-Y358 HydrophobicContact CZ-CE2 4.24Å; F334-Y358 AromaticContact CZ-CG 3.84Å; F334-Y358 HydrophobicContact CZ-CG 3.84Å | ||
| 335 | W | 91.1 | Very high | 81.4 | Confident | 2 Ų | 2 | 45.7 Ų | 45.7 | 1% | 0.008 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 148.4 | -179.4 | 73.6 | -77.2 | 0 | 0 | 0 | 113 | R297 G298 V331 V333 Q337 P346 R347 I348 I388 M460 | R297-W335 HydrophobicContact CB-CD2 4.34Å; R297-W335 HydrophobicContact CB-CZ2 4.41Å; G298-W335 VanDerWaalsContact CA-CD1 3.45Å; V331-W335 PolarHBondContact O-NE1 3.42Å; V333-W335 HydrophobicContact CG2-CB 4.21Å; V333-W335 VanDerWaalsContact CG2-CD1 3.49Å; V333-W335 HydrophobicContact CG2-CG 4.1Å; V333-W335 PolarHBondContact O-N 2.85Å; W335-Q337 HydrophobicContact CZ3-CG 4.12Å; W335-P346 HydrophobicContact CE3-CB 4.2Å; W335-P346 HydrophobicContact CZ3-CB 4.28Å; W335-R347 CarbonylContact C-O 3.5Å; W335-R347 WeakPolarHBondContact CA-O 3.5Å; W335-R347 WeakPolarHBondContact CB-O 3.3Å; W335-I348 HydrophobicContact CB-CD1 4.09Å; W335-I388 HydrophobicContact CB-CD1 3.87Å; W335-I388 HydrophobicContact CD2-CD1 3.75Å; W335-I388 HydrophobicContact CD2-CG1 4.25Å; W335-I388 HydrophobicContact CE3-CD1 3.72Å; W335-I388 HydrophobicContact CE3-CG1 4.03Å; W335-I388 HydrophobicContact CG-CD1 3.86Å; W335-I388 HydrophobicContact CH2-CG1 4.5Å; W335-I388 HydrophobicContact CZ2-CG2 4.29Å; W335-I388 HydrophobicContact CZ3-CD1 4.36Å; W335-I388 HydrophobicContact CZ3-CG1 4.16Å; W335-M460 HydrophobicContact CH2-CE 4.28Å; W335-M460 HydrophobicContact CH2-CG 3.84Å; W335-M460 HydrophobicContact CZ3-CE 3.83Å; W335-M460 HydrophobicContact CZ3-CG 4.31Å |
| 336 | S | 85.8 | Confident | 80.9 | Confident | 30 Ų | 30 | 46.1 Ų | 46.1 | 21% | 0.21 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 172.5 | 176.9 | 69 | 0 | 0 | 0 | 0 | 113.4 | P346 R347 E349 | S336-P346 WeakPolarHBondContact O-CA 3.34Å; S336-R347 PolarHBondContact N-O 3.37Å; S336-R347 PolarHBondContact O-N 3.43Å; S336-E349 WeakPolarHBondContact CB-OE1 3.38Å; S336-E349 PolarHBondContact OG-OE1 3.33Å |
| 337 | Q | 78.4 | Confident | 80.4 | Confident | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | trans | -136.3 | 45.7 | -178.7 | -98 | -170.9 | -41.9 | 0 | 0 | 110.4 | Y294 W335 P344 P346 | Y294-Q337 HydrophobicContact CD1-CB 3.88Å; W335-Q337 HydrophobicContact CZ3-CG 4.12Å; Q337-P344 HydrophobicContact CB-CG 4.02Å; Q337-P344 HydrophobicContact CG-CG 4.44Å; Q337-P344 PolarHBondContact NE2-O 2.73Å; Q337-P344 WeakPolarHBondContact O-CB 3.33Å; Q337-P344 WeakPolarHBondContact O-CG 3.2Å; Q337-P346 HydrophobicContact CG-CB 4.24Å | ||
| 338 | A | 66.3 | Low | 80.1 | Confident | 75 Ų | 75 | 57.3 Ų | 57.3 | 62% | 0.62 | 27% | 0.273 | S | S | * | . | trans | -69.1 | 131.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 339 | G | 61.2 | Low | 79.8 | Confident | 50 Ų | 50 | 62.3 Ų | 62.3 | 52% | 0.515 | 30% | 0.296 | S | S | . | . | S | Bend | trans | 153.4 | 157.3 | 169.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | R341 | G339-R341 PolarHBondContact O-N 3.46Š|
| 340 | Y | 56.2 | Low | 79.7 | Confident | 156 Ų | 156 | 64.1 Ų | 64.1 | 61% | 0.612 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -81.9 | -6.4 | -176.3 | -57.4 | -73 | 0 | 0 | 0 | 114.9 | R553 | Y340-R553 PolarHBondContact O-NH2 3.42Š|
| 341 | R | 58.1 | Low | 79.5 | Confident | 207 Ų | 207 | 65.3 Ų | 65.3 | 78% | 0.781 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -69.3 | 147.1 | 179.1 | -63.9 | -174.7 | -179.1 | -170.3 | 0.2 | 110.5 | G339 N343 P344 | G339-R341 PolarHBondContact O-N 3.46Å; R341-N343 PolarHBondContact O-N 3.33Å; R341-N343 VanDerWaalsContact O-N 3.08Å; R341-P344 WeakPolarHBondContact O-CD 3.41Å |
| 342 | Y | 56.7 | Low | 79.3 | Confident | 139 Ų | 139 | 69.2 Ų | 69.2 | 55% | 0.545 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -50.9 | -35.3 | -179 | 175.2 | -97.5 | 0 | 0 | 0 | 114.4 | Y549 | Y342-Y549 AromaticContact CD2-CD2 3.66Å; Y342-Y549 HydrophobicContact CD2-CD2 3.66Å; Y342-Y549 HydrophobicContact CD2-CE2 4.35Å; Y342-Y549 AromaticContact CD2-CG 3.83Å; Y342-Y549 HydrophobicContact CD2-CG 3.83Å; Y342-Y549 HydrophobicContact CE2-CG 4.34Å; Y342-Y549 HydrophobicContact CG-CD2 4.44Å |
| 343 | N | 66.9 | Low | 79.1 | Confident | 49 Ų | 49 | 75.8 Ų | 75.8 | 26% | 0.262 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -134.2 | 97.8 | 169.3 | -173.9 | -46.7 | 0 | 0 | 0 | 108.6 | R341 R384 | R341-N343 PolarHBondContact O-N 3.33Å; R341-N343 VanDerWaalsContact O-N 3.08Å; N343-R384 PolarHBondContact ND2-NH2 2.88Å; N343-R384 PolarHBondContact OD1-NH1 3.11Å; N343-R384 PolarHBondContact OD1-NH2 2.66Å |
| 344 | P | 69.6 | Low | 79 | Confident | 6 Ų | 6 | 81 Ų | 81 | 4% | 0.039 | 39% | 0.391 | C | S | . | . | P | Polyproline II helix | trans | -70.8 | 141.2 | -179.3 | 28.4 | -32.8 | 0 | 0 | 0 | 111.2 | Y294 Q337 R341 | Y294-P344 HydrophobicContact CD1-CG 4.09Å; Y294-P344 HydrophobicContact CE1-CG 4.08Å; Y294-P344 HydrophobicContact CG-CG 4.4Å; Q337-P344 HydrophobicContact CB-CG 4.02Å; Q337-P344 HydrophobicContact CG-CG 4.44Å; Q337-P344 PolarHBondContact NE2-O 2.73Å; Q337-P344 WeakPolarHBondContact O-CB 3.33Å; Q337-P344 WeakPolarHBondContact O-CG 3.2Å; R341-P344 WeakPolarHBondContact O-CD 3.41Å |
| 345 | R | 78.2 | Confident | 79 | Confident | 184 Ų | 184 | 80.5 Ų | 80.5 | 69% | 0.694 | 39% | 0.389 | S | S | * | . | P | Polyproline II helix | trans | -67.9 | 140.1 | 175.3 | -70.7 | -170.3 | -179.8 | -163 | 0.6 | 109.7 | ||
| 346 | P | 86.8 | Confident | 79.2 | Confident | 14 Ų | 14 | 82.5 Ų | 82.5 | 9% | 0.091 | 40% | 0.399 | C | S | . | . | P | Polyproline II helix | trans | -63.6 | 155.6 | 173.2 | 29.6 | -35.5 | 0 | 0 | 0 | 111.2 | W335 S336 Q337 R384 I387 I388 M460 | W335-P346 HydrophobicContact CE3-CB 4.2Å; W335-P346 HydrophobicContact CZ3-CB 4.28Å; S336-P346 WeakPolarHBondContact O-CA 3.34Å; Q337-P346 HydrophobicContact CG-CB 4.24Å; P346-R384 WeakPolarHBondContact CG-O 3.39Å; P346-I387 HydrophobicContact CB-CG2 4.28Å; P346-I387 HydrophobicContact CG-CG2 3.54Å; P346-I388 HydrophobicContact CB-CD1 3.97Å; P346-I388 HydrophobicContact CB-CG1 3.98Å; P346-I388 HydrophobicContact CG-CG1 4.4Å; P346-M460 HydrophobicContact CB-CE 3.45Å; P346-M460 VanDerWaalsContact CB-CE 3.45Å; P346-M460 HydrophobicContact CG-CE 3.42Å; P346-M460 VanDerWaalsContact CG-CE 3.42Å |
| 347 | R | 85.8 | Confident | 79.6 | Confident | 177 Ų | 177 | 84.7 Ų | 84.7 | 67% | 0.668 | 41% | 0.412 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137 | 132.5 | 168.9 | -61 | -178 | -179.6 | -165.1 | -3.4 | 108.5 | W335 S336 | W335-R347 CarbonylContact C-O 3.5Å; W335-R347 WeakPolarHBondContact CA-O 3.5Å; W335-R347 WeakPolarHBondContact CB-O 3.3Å; S336-R347 PolarHBondContact N-O 3.37Å; S336-R347 PolarHBondContact O-N 3.43Å |
| 348 | I | 90.6 | Very high | 80.4 | Confident | 61 Ų | 61 | 87.9 Ų | 87.9 | 31% | 0.313 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 138.5 | 161.8 | -59.5 | -60.1 | 0 | 0 | 0 | 107.2 | V333 W335 K350 I387 I388 A391 | V333-I348 HydrophobicContact CG2-CD1 4.09Å; W335-I348 HydrophobicContact CB-CD1 4.09Å; I348-K350 WeakPolarHBondContact CG2-O 3.45Å; I348-I387 HydrophobicContact CG1-CG1 4.34Å; I348-I388 HydrophobicContact CD1-CD1 3.58Å; I348-A391 HydrophobicContact CD1-CB 3.96Å |
| 349 | E | 87.7 | Confident | 81.8 | Confident | 111 Ų | 111 | 84.3 Ų | 84.3 | 52% | 0.519 | 40% | 0.395 | S | S | . | . | trans | -106.6 | -25.5 | -174.1 | -63.2 | -177.4 | 142.1 | 0 | 0 | 113.6 | F334 S336 | F334-E349 HydrophobicContact CB-CB 4.23Å; F334-E349 PolarHBondContact O-N 2.97Å; S336-E349 WeakPolarHBondContact CB-OE1 3.38Å; S336-E349 PolarHBondContact OG-OE1 3.33Å | ||
| 350 | K | 89.1 | Confident | 83.5 | Confident | 56 Ų | 56 | 82.6 Ų | 82.6 | 24% | 0.243 | 38% | 0.377 | C | S | . | . | S | Bend | trans | -128.8 | 157.4 | 178.6 | -66.3 | -164.5 | -168.1 | 169.6 | 0 | 111.4 | F334 I348 E354 | F334-K350 HydrophobicContact CB-CB 3.91Å; F334-K350 HydrophobicContact CB-CD 4.21Å; F334-K350 HydrophobicContact CB-CG 3.81Å; F334-K350 HydrophobicContact CD1-CD 4.1Å; F334-K350 HydrophobicContact CD1-CG 4.42Å; F334-K350 HydrophobicContact CD2-CB 4.25Å; F334-K350 HydrophobicContact CD2-CD 3.6Å; F334-K350 HydrophobicContact CD2-CG 4.14Å; F334-K350 HydrophobicContact CE1-CD 4.42Å; F334-K350 HydrophobicContact CE2-CD 3.97Å; F334-K350 HydrophobicContact CG-CB 4.24Å; F334-K350 HydrophobicContact CG-CD 3.68Å; F334-K350 HydrophobicContact CG-CG 3.86Å; F334-K350 HydrophobicContact CZ-CD 4.37Å; I348-K350 WeakPolarHBondContact CG2-O 3.45Å; K350-E354 WeakPolarHBondContact CA-OE2 3.36Å; K350-E354 HydrophobicContact CB-CB 4.01Å; K350-E354 VanDerWaalsContact CB-OE2 3.28Å; K350-E354 WeakPolarHBondContact CB-OE2 3.39Å; K350-E354 HydrophobicContact CD-CB 4.26Å |
| 351 | G | 88.6 | Confident | 85.3 | Confident | 36 Ų | 36 | 77.1 Ų | 77.1 | 37% | 0.371 | 36% | 0.364 | S | S | . | . | trans | -63.2 | 164.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | N353 E354 T355 | G351-N353 PolarHBondContact O-N 3.09Å; G351-E354 PolarHBondContact N-OE2 3.21Å; G351-E354 PolarHBondContact O-N 3.29Å; G351-T355 WeakPolarHBondContact O-CB 3.43Å; G351-T355 PolarHBondContact O-N 3.31Å; G351-T355 PolarHBondContact O-OG1 2.9Å | ||
| 352 | E | 88.7 | Confident | 87.1 | Confident | 81 Ų | 81 | 67.8 Ų | 67.8 | 38% | 0.379 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -60.7 | -45.2 | 176.4 | -71.1 | 167.4 | -163.5 | 0 | 0 | 110.7 | E354 T355 M356 K394 Q395 | E352-E354 PolarHBondContact O-N 3.33Å; E352-T355 PolarHBondContact O-N 2.78Å; E352-M356 PolarHBondContact O-N 3.27Å; E352-M356 VanDerWaalsContact O-N 3.17Å; E352-K394 VanDerWaalsContact CD-CD 3.47Å; E352-K394 VanDerWaalsContact OE1-CD 3.27Å; E352-K394 WeakPolarHBondContact OE1-CD 3.47Å; E352-K394 IonicContact OE1-NZ 2.61Å; E352-K394 PolarHBondContact OE1-NZ 3.26Å; E352-K394 WeakPolarHBondContact OE2-CD 3.33Å; E352-K394 IonicContact OE2-NZ 2.62Å; E352-K394 PolarHBondContact OE2-NZ 3.1Å; E352-Q395 PolarHBondContact O-NE2 2.96Å |
| 353 | N | 89.6 | Confident | 89 | Confident | 139 Ų | 139 | 61.1 Ų | 61.1 | 74% | 0.743 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -66 | -35.3 | 176.8 | -59.6 | -4.2 | 0 | 0 | 0 | 112.9 | G351 T355 P357 | G351-N353 PolarHBondContact O-N 3.09Å; N353-T355 VanDerWaalsContact C-N 3.35Å; N353-P357 WeakPolarHBondContact O-CD 3.2Å |
| 354 | E | 91.6 | Very high | 90.4 | Very high | 113 Ų | 113 | 64 Ų | 64 | 53% | 0.528 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -74.9 | -25.5 | 179.2 | -64.5 | 175.4 | 169.6 | 0 | 0 | 112.8 | K350 G351 E352 Y358 | K350-E354 WeakPolarHBondContact CA-OE2 3.36Å; K350-E354 HydrophobicContact CB-CB 4.01Å; K350-E354 VanDerWaalsContact CB-OE2 3.28Å; K350-E354 WeakPolarHBondContact CB-OE2 3.39Å; K350-E354 HydrophobicContact CD-CB 4.26Å; G351-E354 PolarHBondContact N-OE2 3.21Å; G351-E354 PolarHBondContact O-N 3.29Å; E352-E354 PolarHBondContact O-N 3.33Å; E354-Y358 VanDerWaalsContact O-CD2 3.22Å; E354-Y358 WeakPolarHBondContact O-CD2 3.19Å; E354-Y358 VanDerWaalsContact O-CE2 3.22Å; E354-Y358 WeakPolarHBondContact O-CE2 3.31Å |
| 355 | T | 92.9 | Very high | 91.5 | Very high | 4 Ų | 4 | 67.8 Ų | 67.8 | 3% | 0.025 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -81.2 | -34.2 | 178 | -60 | 0 | 0 | 0 | 0 | 111.2 | V333 F334 G351 E352 N353 Y358 F359 Q395 | V333-T355 HydrophobicContact CB-CG2 3.87Å; V333-T355 HydrophobicContact CG1-CG2 4.02Å; F334-T355 HydrophobicContact CD2-CG2 4.16Å; G351-T355 WeakPolarHBondContact O-CB 3.43Å; G351-T355 PolarHBondContact O-N 3.31Å; G351-T355 PolarHBondContact O-OG1 2.9Å; E352-T355 PolarHBondContact O-N 2.78Å; N353-T355 VanDerWaalsContact C-N 3.35Å; T355-Y358 PolarHBondContact O-N 3.25Å; T355-F359 PolarHBondContact O-N 3.37Å; T355-Q395 VanDerWaalsContact CG2-OE1 3.28Å |
| 356 | M | 94.3 | Very high | 92.3 | Very high | 43 Ų | 43 | 59.4 Ų | 59.4 | 21% | 0.212 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -47.4 | -48.7 | -172.8 | -170.6 | 59.8 | -164.9 | 0 | 0 | 116.3 | E352 Y358 F359 A360 L398 Y399 | E352-M356 PolarHBondContact O-N 3.27Å; E352-M356 VanDerWaalsContact O-N 3.17Å; M356-Y358 VanDerWaalsContact C-N 3.32Å; M356-Y358 PolarHBondContact O-N 2.97Å; M356-F359 WeakPolarHBondContact O-CB 3.4Å; M356-F359 PolarHBondContact O-N 2.72Å; M356-A360 WeakPolarHBondContact O-CB 3.31Å; M356-A360 PolarHBondContact O-N 3.37Å; M356-L398 HydrophobicContact CE-CB 4.21Å; M356-L398 WeakPolarHBondContact CE-O 3.5Å; M356-L398 HydrophobicContact SD-CB 3.86Å; M356-Y399 HydrophobicContact CE-CD2 4.04Å; M356-Y399 HydrophobicContact CE-CG 4.48Å |
| 357 | P | 95.2 | Very high | 92.7 | Very high | 76 Ų | 76 | 59.7 Ų | 59.7 | 49% | 0.494 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -66 | -33.3 | -179.5 | 24.8 | -34 | 0 | 0 | 0 | 113.1 | N353 A361 | N353-P357 WeakPolarHBondContact O-CD 3.2Å; P357-A361 WeakPolarHBondContact O-CB 3.37Å; P357-A361 PolarHBondContact O-N 2.91Å |
| 358 | Y | 95.4 | Very high | 93.1 | Very high | 68 Ų | 68 | 58.7 Ų | 58.7 | 27% | 0.267 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -77.4 | -30.1 | 177.6 | -51.3 | -78.4 | 0 | 0 | 0 | 111.9 | T301 F334 E354 T355 M356 H362 | T301-Y358 HydrophobicContact CG2-CE1 4.3Å; T301-Y358 VanDerWaalsContact O-CD1 3.23Å; T301-Y358 WeakPolarHBondContact O-CD1 3.46Å; T301-Y358 VanDerWaalsContact O-CE1 3.27Å; T301-Y358 WeakPolarHBondContact O-CE1 3.29Å; F334-Y358 AromaticContact CE2-CD2 3.41Å; F334-Y358 HydrophobicContact CE2-CD2 3.41Å; F334-Y358 VanDerWaalsContact CE2-CD2 3.41Å; F334-Y358 HydrophobicContact CE2-CE2 4.06Å; F334-Y358 AromaticContact CE2-CG 3.69Å; F334-Y358 HydrophobicContact CE2-CG 3.69Å; F334-Y358 HydrophobicContact CZ-CD1 4.31Å; F334-Y358 AromaticContact CZ-CD2 3.83Å; F334-Y358 HydrophobicContact CZ-CD2 3.83Å; F334-Y358 HydrophobicContact CZ-CE2 4.24Å; F334-Y358 AromaticContact CZ-CG 3.84Å; F334-Y358 HydrophobicContact CZ-CG 3.84Å; E354-Y358 VanDerWaalsContact O-CD2 3.22Å; E354-Y358 WeakPolarHBondContact O-CD2 3.19Å; E354-Y358 VanDerWaalsContact O-CE2 3.22Å; E354-Y358 WeakPolarHBondContact O-CE2 3.31Å; T355-Y358 PolarHBondContact O-N 3.25Å; M356-Y358 VanDerWaalsContact C-N 3.32Å; M356-Y358 PolarHBondContact O-N 2.97Å; Y358-H362 WeakPolarHBondContact O-CB 3.48Å; Y358-H362 PolarHBondContact O-N 3.32Å; Y358-H362 VanDerWaalsContact O-N 3.11Å |
| 359 | F | 95.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.3 | -47 | 169.8 | -177.8 | -81.6 | 0 | 0 | 0 | 111.2 | P332 T355 M356 H362 F363 Y392 Q395 V396 Y399 | P332-F359 HydrophobicContact CB-CD2 4.19Å; P332-F359 HydrophobicContact CG-CD2 3.87Å; P332-F359 HydrophobicContact CG-CE2 3.81Å; P332-F359 WeakPolarHBondContact O-CD2 3.26Å; T355-F359 PolarHBondContact O-N 3.37Å; M356-F359 WeakPolarHBondContact O-CB 3.4Å; M356-F359 PolarHBondContact O-N 2.72Å; F359-H362 WeakPolarHBondContact O-CB 3.14Å; F359-H362 PolarHBondContact O-N 3.16Å; F359-F363 AromaticContact CD1-CD2 3.84Å; F359-F363 HydrophobicContact CD1-CD2 3.84Å; F359-F363 HydrophobicContact CD1-CE2 4.28Å; F359-F363 HydrophobicContact CD2-CD2 4.36Å; F359-F363 HydrophobicContact CD2-CE2 4.09Å; F359-F363 AromaticContact CE1-CD2 3.49Å; F359-F363 HydrophobicContact CE1-CD2 3.49Å; F359-F363 VanDerWaalsContact CE1-CD2 3.49Å; F359-F363 AromaticContact CE1-CE2 3.72Å; F359-F363 HydrophobicContact CE1-CE2 3.72Å; F359-F363 HydrophobicContact CE2-CD2 4.08Å; F359-F363 AromaticContact CE2-CE2 3.52Å; F359-F363 HydrophobicContact CE2-CE2 3.52Å; F359-F363 HydrophobicContact CG-CD2 4.26Å; F359-F363 HydrophobicContact CG-CE2 4.44Å; F359-F363 AromaticContact CZ-CD2 3.63Å; F359-F363 HydrophobicContact CZ-CD2 3.63Å; F359-F363 AromaticContact CZ-CE2 3.31Å; F359-F363 HydrophobicContact CZ-CE2 3.31Å; F359-F363 HydrophobicContact CZ-CZ 4.31Å; F359-F363 WeakPolarHBondContact O-CD2 3.48Å; F359-F363 PolarHBondContact O-N 2.88Å; F359-Y392 AromaticContact CE2-CD2 3.89Å; F359-Y392 HydrophobicContact CE2-CD2 3.89Å; F359-Y392 AromaticContact CE2-CE2 3.88Å; F359-Y392 HydrophobicContact CE2-CE2 3.88Å; F359-Y392 HydrophobicContact CZ-CE2 4.33Å; F359-Q395 HydrophobicContact CD1-CB 4.25Å; F359-Q395 HydrophobicContact CD2-CB 3.46Å; F359-Q395 VanDerWaalsContact CD2-CB 3.46Å; F359-Q395 HydrophobicContact CD2-CG 4.14Å; F359-Q395 HydrophobicContact CE1-CB 4.17Å; F359-Q395 WeakPolarHBondContact CE1-O 3.26Å; F359-Q395 HydrophobicContact CE2-CB 3.33Å; F359-Q395 HydrophobicContact CE2-CG 4.37Å; F359-Q395 HydrophobicContact CG-CB 3.93Å; F359-Q395 HydrophobicContact CZ-CB 3.72Å; F359-V396 HydrophobicContact CZ-CB 4.48Å; F359-V396 HydrophobicContact CZ-CG2 3.8Å; F359-Y399 HydrophobicContact CD1-CG 4.33Å; F359-Y399 HydrophobicContact CE1-CD1 4.27Å; F359-Y399 HydrophobicContact CE1-CG 4Å |
| 360 | A | 95.3 | Very high | 93.4 | Very high | 15 Ų | 15 | 54.3 Ų | 54.3 | 12% | 0.124 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59.7 | -55 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | M356 H362 F363 E364 Y399 | M356-A360 WeakPolarHBondContact O-CB 3.31Å; M356-A360 PolarHBondContact O-N 3.37Å; A360-H362 PolarHBondContact O-N 3.06Å; A360-H362 VanDerWaalsContact O-N 3.15Å; A360-F363 PolarHBondContact O-N 3.33Å; A360-E364 WeakPolarHBondContact O-CB 3.25Å; A360-E364 VanDerWaalsContact O-CG 3.3Å; A360-E364 WeakPolarHBondContact O-CG 3.48Å; A360-E364 PolarHBondContact O-N 2.92Å; A360-Y399 HydrophobicContact CB-CD2 4.07Å; A360-Y399 HydrophobicContact CB-CE2 3.87Å |
| 361 | A | 95.8 | Very high | 93.5 | Very high | 41 Ų | 41 | 55.7 Ų | 55.7 | 34% | 0.339 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -57 | -32.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | P357 K365 | P357-A361 WeakPolarHBondContact O-CB 3.37Å; P357-A361 PolarHBondContact O-N 2.91Å; A361-K365 WeakPolarHBondContact O-CB 3.46Å; A361-K365 PolarHBondContact O-N 3.14Å |
| 362 | H | 95.9 | Very high | 93.8 | Very high | 10 Ų | 10 | 56.9 Ų | 56.9 | 5% | 0.046 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65 | -48.6 | 172.4 | -179.1 | 63.3 | 0 | 0 | 0 | 112.1 | G303 Y358 F359 A360 Q366 R456 | G303-H362 WeakPolarHBondContact O-CB 3.47Å; G303-H362 PolarHBondContact O-ND1 2.91Å; Y358-H362 WeakPolarHBondContact O-CB 3.48Å; Y358-H362 PolarHBondContact O-N 3.32Å; Y358-H362 VanDerWaalsContact O-N 3.11Å; F359-H362 WeakPolarHBondContact O-CB 3.14Å; F359-H362 PolarHBondContact O-N 3.16Å; A360-H362 PolarHBondContact O-N 3.06Å; A360-H362 VanDerWaalsContact O-N 3.15Å; H362-Q366 WeakPolarHBondContact O-CG 3.49Å; H362-Q366 PolarHBondContact O-N 3.37Å; H362-R456 PolarHBondContact NE2-NH1 3.44Å; H362-R456 PolarHBondContact NE2-NH2 2.84Å |
| 363 | F | 96.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -78 | -32.7 | -176.7 | -82.1 | -74.1 | 0 | 0 | 0 | 113.9 | P332 F359 A360 K365 Q366 L367 I375 Y392 Y399 L404 | P332-F363 HydrophobicContact CB-CE2 4.39Å; P332-F363 HydrophobicContact CG-CE2 3.52Å; P332-F363 HydrophobicContact CG-CZ 3.98Å; F359-F363 AromaticContact CD1-CD2 3.84Å; F359-F363 HydrophobicContact CD1-CD2 3.84Å; F359-F363 HydrophobicContact CD1-CE2 4.28Å; F359-F363 HydrophobicContact CD2-CD2 4.36Å; F359-F363 HydrophobicContact CD2-CE2 4.09Å; F359-F363 AromaticContact CE1-CD2 3.49Å; F359-F363 HydrophobicContact CE1-CD2 3.49Å; F359-F363 VanDerWaalsContact CE1-CD2 3.49Å; F359-F363 AromaticContact CE1-CE2 3.72Å; F359-F363 HydrophobicContact CE1-CE2 3.72Å; F359-F363 HydrophobicContact CE2-CD2 4.08Å; F359-F363 AromaticContact CE2-CE2 3.52Å; F359-F363 HydrophobicContact CE2-CE2 3.52Å; F359-F363 HydrophobicContact CG-CD2 4.26Å; F359-F363 HydrophobicContact CG-CE2 4.44Å; F359-F363 AromaticContact CZ-CD2 3.63Å; F359-F363 HydrophobicContact CZ-CD2 3.63Å; F359-F363 AromaticContact CZ-CE2 3.31Å; F359-F363 HydrophobicContact CZ-CE2 3.31Å; F359-F363 HydrophobicContact CZ-CZ 4.31Å; F359-F363 WeakPolarHBondContact O-CD2 3.48Å; F359-F363 PolarHBondContact O-N 2.88Å; A360-F363 PolarHBondContact O-N 3.33Å; F363-K365 VanDerWaalsContact C-N 3.32Å; F363-K365 PolarHBondContact O-N 2.78Å; F363-Q366 HydrophobicContact CD1-CB 4.47Å; F363-Q366 CarbonylContact O-C 3.31Å; F363-Q366 WeakPolarHBondContact O-CA 3.44Å; F363-Q366 WeakPolarHBondContact O-CB 3.4Å; F363-Q366 PolarHBondContact O-N 3.13Å; F363-L367 VanDerWaalsContact O-CG 3.32Å; F363-L367 WeakPolarHBondContact O-CG 3.44Å; F363-L367 PolarHBondContact O-N 2.91Å; F363-I375 HydrophobicContact CE1-CD1 4.1Å; F363-I375 HydrophobicContact CE1-CG1 4.34Å; F363-I375 HydrophobicContact CZ-CD1 3.88Å; F363-I375 HydrophobicContact CZ-CG1 4.4Å; F363-Y392 HydrophobicContact CE2-CE2 4.29Å; F363-Y392 HydrophobicContact CZ-CE2 4.13Å; F363-Y399 HydrophobicContact CB-CD1 4.44Å; F363-Y399 HydrophobicContact CB-CE1 3.77Å; F363-L404 HydrophobicContact CD1-CD1 3.64Å; F363-L404 HydrophobicContact CD1-CD2 4.06Å; F363-L404 HydrophobicContact CE1-CD1 3.57Å; F363-L404 HydrophobicContact CE1-CD2 4.2Å; F363-L404 HydrophobicContact CG-CD2 4.23Å; F363-L404 HydrophobicContact CZ-CD1 4.45Å; F363-L404 HydrophobicContact CZ-CD2 4.49Å |
| 364 | E | 95.1 | Very high | 94.4 | Very high | 108 Ų | 108 | 46.4 Ų | 46.4 | 51% | 0.505 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -53.7 | -51.3 | 170.1 | -73 | 160.1 | -168.3 | 0 | 0 | 110.1 | A360 Q366 L367 E368 | A360-E364 WeakPolarHBondContact O-CB 3.25Å; A360-E364 VanDerWaalsContact O-CG 3.3Å; A360-E364 WeakPolarHBondContact O-CG 3.48Å; A360-E364 PolarHBondContact O-N 2.92Å; E364-Q366 PolarHBondContact O-N 3.11Å; E364-L367 PolarHBondContact O-N 3.43Å; E364-L367 VanDerWaalsContact O-N 3.17Å; E364-E368 WeakPolarHBondContact O-CB 3.31Å; E364-E368 PolarHBondContact O-N 2.87Å |
| 365 | K | 94.1 | Very high | 94.6 | Very high | 86 Ų | 86 | 41 Ų | 41 | 37% | 0.374 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -68.1 | -15.9 | 175.7 | -167 | 170.8 | -175.8 | 175.7 | 0 | 114.2 | H304 A361 F363 L369 | H304-K365 PolarHBondContact NE2-NZ 2.89Å; A361-K365 WeakPolarHBondContact O-CB 3.46Å; A361-K365 PolarHBondContact O-N 3.14Å; F363-K365 VanDerWaalsContact C-N 3.32Å; F363-K365 PolarHBondContact O-N 2.78Å; K365-L369 VanDerWaalsContact O-CD1 3.3Å; K365-L369 WeakPolarHBondContact O-CD1 3.36Å; K365-L369 VanDerWaalsContact O-CG 3.31Å; K365-L369 WeakPolarHBondContact O-CG 3.46Å |
| 366 | Q | 94.7 | Very high | 94.7 | Very high | 8 Ų | 8 | 40.8 Ų | 40.8 | 4% | 0.037 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -83.3 | -41.8 | 168.9 | -70.5 | -66.4 | -88.7 | 0 | 0 | 111.6 | Y308 H362 F363 E364 L369 Y370 | Y308-Q366 PolarHBondContact OH-NE2 3.23Å; Y308-Q366 PolarHBondContact OH-OE1 3.01Å; H362-Q366 WeakPolarHBondContact O-CG 3.49Å; H362-Q366 PolarHBondContact O-N 3.37Å; F363-Q366 HydrophobicContact CD1-CB 4.47Å; F363-Q366 CarbonylContact O-C 3.31Å; F363-Q366 WeakPolarHBondContact O-CA 3.44Å; F363-Q366 WeakPolarHBondContact O-CB 3.4Å; F363-Q366 PolarHBondContact O-N 3.13Å; E364-Q366 PolarHBondContact O-N 3.11Å; Q366-L369 PolarHBondContact O-N 2.86Å; Q366-Y370 VanDerWaalsContact O-CD2 3.24Å; Q366-Y370 WeakPolarHBondContact O-CD2 3.27Å; Q366-Y370 PolarHBondContact O-N 3.24Å |
| 367 | L | 95 | Very high | 94.6 | Very high | 21 Ų | 21 | 38.8 Ų | 38.8 | 11% | 0.11 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -72.8 | -32.4 | -179.1 | -63.6 | 173.5 | 0 | 0 | 0 | 111.4 | F363 E364 L369 T371 Q373 Y399 N401 N403 | F363-L367 VanDerWaalsContact O-CG 3.32Å; F363-L367 WeakPolarHBondContact O-CG 3.44Å; F363-L367 PolarHBondContact O-N 2.91Å; E364-L367 PolarHBondContact O-N 3.43Å; E364-L367 VanDerWaalsContact O-N 3.17Å; L367-L369 VanDerWaalsContact C-N 3.3Å; L367-L369 PolarHBondContact O-N 2.8Å; L367-T371 WeakPolarHBondContact O-CA 3.5Å; L367-T371 PolarHBondContact O-N 2.91Å; L367-Q373 HydrophobicContact CD2-CB 4.23Å; L367-Y399 HydrophobicContact CD1-CE1 4.34Å; L367-N401 WeakPolarHBondContact CD1-ND2 3.49Å; L367-N403 HydrophobicContact CD1-CB 4.29Å; L367-N403 HydrophobicContact CD2-CB 3.82Å |
| 368 | E | 93.5 | Very high | 94.4 | Very high | 155 Ų | 155 | 35.1 Ų | 35.1 | 72% | 0.724 | 18% | 0.176 | S | C | * | . | H | α-helix | trans | -58.7 | -38.3 | 168.2 | -175.2 | -173.6 | -163.2 | 0 | 0 | 112.6 | E364 | E364-E368 WeakPolarHBondContact O-CB 3.31Å; E364-E368 PolarHBondContact O-N 2.87Å |
| 369 | L | 91.9 | Very high | 93.8 | Very high | 61 Ų | 61 | 31.9 Ų | 31.9 | 32% | 0.319 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -92.6 | -20.4 | -173.4 | -69.7 | 177.2 | 0 | 0 | 0 | 114.9 | K365 Q366 L367 | K365-L369 VanDerWaalsContact O-CD1 3.3Å; K365-L369 WeakPolarHBondContact O-CD1 3.36Å; K365-L369 VanDerWaalsContact O-CG 3.31Å; K365-L369 WeakPolarHBondContact O-CG 3.46Å; Q366-L369 PolarHBondContact O-N 2.86Å; L367-L369 VanDerWaalsContact C-N 3.3Å; L367-L369 PolarHBondContact O-N 2.8Å |
| 370 | Y | 93.1 | Very high | 93.2 | Very high | 20 Ų | 20 | 33.5 Ų | 33.5 | 8% | 0.078 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -138 | 6.6 | -173.3 | -51.1 | -75 | 0 | 0 | 0 | 114.5 | R209 Y308 E310 T327 Q366 K372 I454 | R209-Y370 PolarHBondContact NH1-OH 2.93Å; R209-Y370 PolarHBondContact NH2-OH 2.87Å; Y308-Y370 VanDerWaalsContact OH-CE2 3.3Å; Y308-Y370 WeakPolarHBondContact OH-CE2 3.4Å; Y308-Y370 PolarHBondContact OH-OH 2.84Å; E310-Y370 WeakPolarHBondContact OE2-CE1 3.27Å; E310-Y370 PolarHBondContact OE2-OH 2.83Å; T327-Y370 HydrophobicContact CG2-CE2 4.42Å; Q366-Y370 VanDerWaalsContact O-CD2 3.24Å; Q366-Y370 WeakPolarHBondContact O-CD2 3.27Å; Q366-Y370 PolarHBondContact O-N 3.24Å; Y370-K372 PolarHBondContact O-N 2.92Å; Y370-I454 VanDerWaalsContact CB-CG2 3.48Å; Y370-I454 HydrophobicContact CD1-CB 4.34Å; Y370-I454 HydrophobicContact CD1-CD1 3.58Å; Y370-I454 HydrophobicContact CD1-CG2 4.28Å; Y370-I454 HydrophobicContact CD2-CG2 4.01Å; Y370-I454 HydrophobicContact CE1-CD1 3.66Å; Y370-I454 HydrophobicContact CG-CB 4.2Å; Y370-I454 HydrophobicContact CG-CD1 4.08Å; Y370-I454 HydrophobicContact CG-CG2 3.68Å |
| 371 | T | 91.6 | Very high | 92.4 | Very high | 84 Ų | 84 | 35.1 Ų | 35.1 | 52% | 0.515 | 18% | 0.177 | S | C | . | . | S | Bend | trans | 64.3 | -55.7 | -179.7 | -49.7 | 0 | 0 | 0 | 0 | 115.7 | L367 N403 | L367-T371 WeakPolarHBondContact O-CA 3.5Å; L367-T371 PolarHBondContact O-N 2.91Å; T371-N403 PolarHBondContact O-ND2 2.83Å |
| 372 | K | 94.4 | Very high | 91.5 | Very high | 61 Ų | 61 | 39.7 Ų | 39.7 | 27% | 0.265 | 20% | 0.196 | S | C | . | . | trans | -135.4 | 136.8 | -174.1 | -177.4 | 179.5 | -177.4 | 176.8 | 0 | 109.2 | Y370 N403 D436 D452 G453 I454 | Y370-K372 PolarHBondContact O-N 2.92Å; K372-N403 WeakPolarHBondContact CA-O 3.3Å; K372-D436 IonicContact NZ-OD2 2.66Å; K372-D436 PolarHBondContact NZ-OD2 3.11Å; K372-D452 WeakPolarHBondContact CB-O 3.49Å; K372-G453 CarbonylContact O-C 3.59Å; K372-G453 WeakPolarHBondContact O-CA 3.28Å; K372-I454 PolarHBondContact O-N 3.39Å | ||
| 373 | Q | 95.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 128.5 | 179.4 | -173.8 | 157.8 | 118.2 | 0 | 0 | 111.8 | L367 N403 L404 T405 I454 R456 | L367-Q373 HydrophobicContact CD2-CB 4.23Å; Q373-N403 PolarHBondContact N-O 2.82Å; Q373-L404 HydrophobicContact CB-CD1 4.01Å; Q373-L404 HydrophobicContact CG-CD1 4.36Å; Q373-L404 WeakPolarHBondContact O-CA 3.44Å; Q373-T405 PolarHBondContact O-N 2.77Å; Q373-I454 WeakPolarHBondContact CA-O 3.41Å; Q373-I454 HydrophobicContact CB-CG2 4.21Å; Q373-I454 HydrophobicContact CG-CG2 4.03Å; Q373-R456 VanDerWaalsContact CD-CB 3.5Å; Q373-R456 HydrophobicContact CG-CB 3.7Å; Q373-R456 VanDerWaalsContact OE1-CG 3.3Å |
| 374 | V | 96.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 109.8 | 173.8 | 179.7 | 0 | 0 | 0 | 0 | 108.4 | T405 V407 I433 M437 I454 F455 R456 | V374-T405 HydrophobicContact CG1-CG2 4.33Å; V374-V407 HydrophobicContact CG1-CG2 3.76Å; V374-I433 HydrophobicContact CG2-CG2 3.87Å; V374-M437 HydrophobicContact CB-CE 3.59Å; V374-M437 HydrophobicContact CG2-CE 3.2Å; V374-I454 PolarHBondContact N-O 2.82Å; V374-F455 HydrophobicContact CB-CD1 3.86Å; V374-F455 HydrophobicContact CB-CE1 4.02Å; V374-F455 HydrophobicContact CG1-CD1 3.97Å; V374-F455 HydrophobicContact CG1-CE1 3.95Å; V374-F455 HydrophobicContact CG2-CE1 4.49Å; V374-F455 WeakPolarHBondContact O-CA 3.22Å; V374-R456 PolarHBondContact O-N 3.19Å |
| 375 | I | 95.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 125.4 | 174.8 | -61.4 | 163.2 | 0 | 0 | 0 | 108.2 | F363 N377 Y392 V396 L404 T405 Y406 V407 R456 | F363-I375 HydrophobicContact CE1-CD1 4.1Å; F363-I375 HydrophobicContact CE1-CG1 4.34Å; F363-I375 HydrophobicContact CZ-CD1 3.88Å; F363-I375 HydrophobicContact CZ-CG1 4.4Å; I375-N377 HydrophobicContact CG2-CB 4.45Å; I375-Y392 HydrophobicContact CD1-CE2 4.15Å; I375-Y392 VanDerWaalsContact CD1-OH 3.31Å; I375-Y392 WeakPolarHBondContact CD1-OH 3.37Å; I375-Y392 WeakPolarHBondContact CG1-OH 3.45Å; I375-Y392 HydrophobicContact CG2-CE1 3.44Å; I375-Y392 VanDerWaalsContact CG2-CE1 3.44Å; I375-Y392 VanDerWaalsContact CG2-OH 3.31Å; I375-Y392 WeakPolarHBondContact CG2-OH 3.38Å; I375-V396 HydrophobicContact CD1-CG2 3.7Å; I375-L404 HydrophobicContact CD1-CD1 3.75Å; I375-L404 HydrophobicContact CD1-CD2 4.1Å; I375-L404 HydrophobicContact CD1-CG 3.97Å; I375-L404 HydrophobicContact CG1-CD1 4.02Å; I375-T405 PolarHBondContact N-O 2.83Å; I375-Y406 HydrophobicContact CB-CD2 4.06Å; I375-Y406 HydrophobicContact CD1-CD2 4.16Å; I375-Y406 HydrophobicContact CG2-CD2 3.71Å; I375-Y406 HydrophobicContact CG2-CE2 4.02Å; I375-V407 PolarHBondContact O-N 3.09Å; I375-R456 WeakPolarHBondContact CA-O 3.47Å |
| 376 | I | 94.6 | Very high | 88.8 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 109 | 167.2 | -60.2 | 177.4 | 0 | 0 | 0 | 107.3 | L378 V407 L426 I430 F455 R456 V457 N458 V469 I473 | I376-L378 HydrophobicContact CG2-CD2 3.76Å; I376-L378 HydrophobicContact CG2-CG 4.45Å; I376-V407 HydrophobicContact CG1-CB 4.38Å; I376-L426 HydrophobicContact CG2-CD2 3.96Å; I376-I430 HydrophobicContact CD1-CD1 3.72Å; I376-F455 HydrophobicContact CD1-CD1 3.72Å; I376-F455 HydrophobicContact CD1-CE1 4.37Å; I376-F455 HydrophobicContact CD1-CG 4.39Å; I376-F455 HydrophobicContact CG1-CD1 4.28Å; I376-R456 PolarHBondContact N-O 3.43Å; I376-V457 HydrophobicContact CB-CG2 4.47Å; I376-V457 HydrophobicContact CD1-CG2 4.49Å; I376-N458 PolarHBondContact O-N 3.39Å; I376-V469 HydrophobicContact CG2-CG1 4.4Å; I376-I473 HydrophobicContact CD1-CD1 3.57Å |
| 377 | N | 92.9 | Very high | 88.6 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 111.9 | -177.3 | -164.7 | 22 | 0 | 0 | 0 | 111.6 | I375 V379 Y406 V407 F409 | I375-N377 HydrophobicContact CG2-CB 4.45Å; N377-V379 VanDerWaalsContact C-N 3.28Å; N377-V379 PolarHBondContact O-N 3.17Å; N377-V379 WeakPolarHBondContact OD1-CG2 3.46Å; N377-Y406 HydrophobicContact CB-CE2 3.96Å; N377-Y406 PolarHBondContact ND2-OH 2.85Å; N377-V407 PolarHBondContact N-O 2.83Å; N377-F409 PolarHBondContact O-N 3.48Å |
| 378 | L | 89.6 | Confident | 88.4 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | trans | -92.1 | 25.8 | -175.3 | -53.1 | 179.7 | 0 | 0 | 0 | 113.4 | I376 F409 F411 L426 V457 N458 C459 R465 T466 V469 | I376-L378 HydrophobicContact CG2-CD2 3.76Å; I376-L378 HydrophobicContact CG2-CG 4.45Å; L378-F409 HydrophobicContact CD2-CB 4.37Å; L378-F409 HydrophobicContact CD2-CD1 3.97Å; L378-F411 HydrophobicContact CB-CB 4.35Å; L378-F411 HydrophobicContact CD1-CD2 4.38Å; L378-F411 HydrophobicContact CD2-CD2 4.39Å; L378-L426 HydrophobicContact CD2-CD2 4.42Å; L378-V457 HydrophobicContact CD1-CG1 3.66Å; L378-V457 HydrophobicContact CG-CG1 4.14Å; L378-N458 WeakPolarHBondContact CB-O 3.15Å; L378-N458 PolarHBondContact N-O 3.41Å; L378-C459 HydrophobicContact CB-CB 4.4Å; L378-R465 HydrophobicContact CD1-CB 4.01Å; L378-R465 PolarHBondContact O-NH1 3.19Å; L378-T466 HydrophobicContact CD1-CG2 4.41Å; L378-V469 HydrophobicContact CD1-CB 4.13Å; L378-V469 HydrophobicContact CD1-CG2 3.66Å; L378-V469 HydrophobicContact CD2-CG2 3.98Å; L378-V469 HydrophobicContact CG-CG2 4.49Å | ||
| 379 | V | 84.2 | Confident | 88.3 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.189 | C | C | . | . | trans | -80.5 | 135.4 | -173.2 | 158.9 | 0 | 0 | 0 | 0 | 111.6 | N377 Q381 E385 M460 | N377-V379 VanDerWaalsContact C-N 3.28Å; N377-V379 PolarHBondContact O-N 3.17Å; N377-V379 WeakPolarHBondContact OD1-CG2 3.46Å; V379-Q381 PolarHBondContact O-N 3.05Å; V379-Q381 PolarHBondContact O-NE2 3.03Å; V379-E385 HydrophobicContact CG1-CB 3.8Å; V379-M460 HydrophobicContact CG2-CB 4.21Å | ||
| 380 | D | 81.7 | Confident | 88.3 | Confident | 33 Ų | 33 | 37.2 Ų | 37.2 | 18% | 0.176 | 19% | 0.189 | C | C | . | . | trans | -60.6 | 118.2 | 171.9 | -179 | -12.2 | 0 | 0 | 0 | 111.3 | N382 G383 E385 K386 D410 | D380-N382 PolarHBondContact OD1-N 3.14Å; D380-G383 VanDerWaalsContact CG-N 3.32Å; D380-G383 PolarHBondContact OD1-N 3.13Å; D380-G383 WeakPolarHBondContact OD2-CA 3.33Å; D380-E385 HydrophobicContact CB-CB 3.96Å; D380-E385 HydrophobicContact CB-CG 3.78Å; D380-E385 PolarHBondContact N-OE2 2.7Å; D380-K386 PolarHBondContact O-N 3.09Å; D380-D410 WeakPolarHBondContact CA-OD2 3.35Å | ||
| 381 | Q | 79.3 | Confident | 88.3 | Confident | 49 Ų | 49 | 36.8 Ų | 36.8 | 23% | 0.229 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -80.1 | -18.7 | -174.9 | -60.1 | -58.8 | -56.2 | 0 | 0 | 113.6 | V379 K386 S408 D410 | V379-Q381 PolarHBondContact O-N 3.05Å; V379-Q381 PolarHBondContact O-NE2 3.03Å; Q381-K386 VanDerWaalsContact O-CD 3.31Å; Q381-K386 WeakPolarHBondContact O-CD 3.07Å; Q381-K386 VanDerWaalsContact O-CG 3.28Å; Q381-K386 WeakPolarHBondContact O-CG 3.39Å; Q381-K386 PolarHBondContact O-NZ 3.21Å; Q381-S408 PolarHBondContact NE2-OG 2.85Å; Q381-D410 HydrophobicContact CG-CB 4.11Å; Q381-D410 PolarHBondContact N-OD2 3.02Å |
| 382 | N | 76.9 | Confident | 88.4 | Confident | 138 Ų | 138 | 32.8 Ų | 32.8 | 74% | 0.738 | 17% | 0.166 | S | C | * | . | S | Bend | trans | -114.6 | -16.7 | -173.8 | -70.6 | -33.4 | 0 | 0 | 0 | 112.9 | D380 | D380-N382 PolarHBondContact OD1-N 3.14Š|
| 383 | G | 77.3 | Confident | 88.3 | Confident | 30 Ų | 30 | 32.3 Ų | 32.3 | 31% | 0.309 | 17% | 0.166 | S | C | . | . | S | Bend | trans | -98.9 | -158.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | D380 E385 K386 | D380-G383 VanDerWaalsContact CG-N 3.32Å; D380-G383 PolarHBondContact OD1-N 3.13Å; D380-G383 WeakPolarHBondContact OD2-CA 3.33Å; G383-E385 PolarHBondContact O-N 2.94Å; G383-K386 WeakPolarHBondContact O-CB 3.42Å; G383-K386 PolarHBondContact O-N 3.38Å |
| 384 | R | 76.9 | Confident | 88.3 | Confident | 121 Ų | 121 | 36.7 Ų | 36.7 | 46% | 0.457 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -9 | -172.6 | -61.3 | 174.9 | -63.9 | 122.7 | 8 | 113.7 | N343 P346 | N343-R384 PolarHBondContact ND2-NH2 2.88Å; N343-R384 PolarHBondContact OD1-NH1 3.11Å; N343-R384 PolarHBondContact OD1-NH2 2.66Å; P346-R384 WeakPolarHBondContact CG-O 3.39Å |
| 385 | E | 83.4 | Confident | 88.1 | Confident | 17 Ų | 17 | 36.8 Ų | 36.8 | 8% | 0.079 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -25 | 178.9 | -43.1 | -161.2 | 146.4 | 0 | 0 | 111.7 | V379 D380 G383 I387 I388 G389 M460 R465 | V379-E385 HydrophobicContact CG1-CB 3.8Å; D380-E385 HydrophobicContact CB-CB 3.96Å; D380-E385 HydrophobicContact CB-CG 3.78Å; D380-E385 PolarHBondContact N-OE2 2.7Å; G383-E385 PolarHBondContact O-N 2.94Å; E385-I387 VanDerWaalsContact C-N 3.29Å; E385-I387 PolarHBondContact O-N 2.88Å; E385-I387 VanDerWaalsContact O-N 3.13Å; E385-I388 PolarHBondContact O-N 3.07Å; E385-G389 PolarHBondContact O-N 3.04Å; E385-M460 HydrophobicContact CB-CB 3.99Å; E385-M460 HydrophobicContact CB-CG 4.15Å; E385-M460 HydrophobicContact CB-SD 3.71Å; E385-M460 HydrophobicContact CG-CB 4.1Å; E385-M460 HydrophobicContact CG-CG 4.33Å; E385-M460 HydrophobicContact CG-SD 3.5Å; E385-M460 WeakPolarHBondContact CG-SD 3.29Å; E385-R465 IonicContact OE1-CZ 2.88Å; E385-R465 IonicContact OE1-NH1 2.81Å; E385-R465 IonicContact OE1-NH2 3.16Å; E385-R465 PolarHBondContact OE1-NH2 3.24Å; E385-R465 IonicContact OE2-CZ 3.78Å; E385-R465 IonicContact OE2-NH1 3.38Å; E385-R465 PolarHBondContact OE2-NH1 3.23Å; E385-R465 IonicContact OE2-NH2 3.83Å; E385-R465 PolarHBondContact OE2-NH2 3.02Å |
| 386 | K | 87.1 | Confident | 88.1 | Confident | 79 Ų | 79 | 36.9 Ų | 36.9 | 34% | 0.343 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -47.7 | -44.2 | -174.6 | -165 | -157.3 | -178 | 85.2 | 0 | 113.9 | D380 Q381 G383 I388 G389 D390 | D380-K386 PolarHBondContact O-N 3.09Å; Q381-K386 VanDerWaalsContact O-CD 3.31Å; Q381-K386 WeakPolarHBondContact O-CD 3.07Å; Q381-K386 VanDerWaalsContact O-CG 3.28Å; Q381-K386 WeakPolarHBondContact O-CG 3.39Å; Q381-K386 PolarHBondContact O-NZ 3.21Å; G383-K386 WeakPolarHBondContact O-CB 3.42Å; G383-K386 PolarHBondContact O-N 3.38Å; K386-I388 PolarHBondContact O-N 2.86Å; K386-G389 CarbonylContact O-C 3.58Å; K386-G389 WeakPolarHBondContact O-CA 3.21Å; K386-G389 PolarHBondContact O-N 3.04Å; K386-D390 WeakPolarHBondContact CD-OD2 3.09Å; K386-D390 WeakPolarHBondContact CE-OD1 3.28Å; K386-D390 WeakPolarHBondContact CE-OD2 3.44Å; K386-D390 WeakPolarHBondContact CG-OD2 3.48Å; K386-D390 PolarHBondContact O-N 2.97Å |
| 387 | I | 90.6 | Very high | 88.1 | Confident | 86 Ų | 86 | 39.7 Ų | 39.7 | 44% | 0.441 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -57 | -27.6 | 179.6 | -169.1 | 172.2 | 0 | 0 | 0 | 113.7 | P346 I348 E385 A391 | P346-I387 HydrophobicContact CB-CG2 4.28Å; P346-I387 HydrophobicContact CG-CG2 3.54Å; I348-I387 HydrophobicContact CG1-CG1 4.34Å; E385-I387 VanDerWaalsContact C-N 3.29Å; E385-I387 PolarHBondContact O-N 2.88Å; E385-I387 VanDerWaalsContact O-N 3.13Å; I387-A391 VanDerWaalsContact O-CB 3.28Å; I387-A391 WeakPolarHBondContact O-CB 3.45Å; I387-A391 PolarHBondContact O-N 3.49Å |
| 388 | I | 90.9 | Very high | 88 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -84.7 | -33.4 | 173.4 | -55.5 | -54.7 | 0 | 0 | 0 | 111.1 | V331 W335 P346 I348 E385 K386 Y392 M460 | V331-I388 HydrophobicContact CB-CG2 3.89Å; V331-I388 HydrophobicContact CG1-CG2 3.91Å; V331-I388 HydrophobicContact CG2-CG2 3.85Å; W335-I388 HydrophobicContact CB-CD1 3.87Å; W335-I388 HydrophobicContact CD2-CD1 3.75Å; W335-I388 HydrophobicContact CD2-CG1 4.25Å; W335-I388 HydrophobicContact CE3-CD1 3.72Å; W335-I388 HydrophobicContact CE3-CG1 4.03Å; W335-I388 HydrophobicContact CG-CD1 3.86Å; W335-I388 HydrophobicContact CH2-CG1 4.5Å; W335-I388 HydrophobicContact CZ2-CG2 4.29Å; W335-I388 HydrophobicContact CZ3-CD1 4.36Å; W335-I388 HydrophobicContact CZ3-CG1 4.16Å; P346-I388 HydrophobicContact CB-CD1 3.97Å; P346-I388 HydrophobicContact CB-CG1 3.98Å; P346-I388 HydrophobicContact CG-CG1 4.4Å; I348-I388 HydrophobicContact CD1-CD1 3.58Å; E385-I388 PolarHBondContact O-N 3.07Å; K386-I388 PolarHBondContact O-N 2.86Å; I388-Y392 VanDerWaalsContact O-CB 3.27Å; I388-Y392 WeakPolarHBondContact O-CB 3.46Å; I388-Y392 PolarHBondContact O-N 3.48Å; I388-M460 HydrophobicContact CG1-CE 4.22Å; I388-M460 HydrophobicContact CG1-CG 4.48Å |
| 389 | G | 90.6 | Very high | 88.3 | Confident | 2 Ų | 2 | 46 Ų | 46 | 2% | 0.021 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -66.9 | -49.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | E385 K386 A391 Y392 L393 | E385-G389 PolarHBondContact O-N 3.04Å; K386-G389 CarbonylContact O-C 3.58Å; K386-G389 WeakPolarHBondContact O-CA 3.21Å; K386-G389 PolarHBondContact O-N 3.04Å; G389-A391 PolarHBondContact O-N 3.44Å; G389-Y392 PolarHBondContact O-N 3.05Å; G389-L393 WeakPolarHBondContact O-CB 3.39Å; G389-L393 PolarHBondContact O-N 2.77Å |
| 390 | D | 91.6 | Very high | 88.7 | Confident | 61 Ų | 61 | 48.5 Ų | 48.5 | 33% | 0.326 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -58.6 | -48.3 | 176.4 | -65.1 | -14.9 | 0 | 0 | 0 | 110.5 | K386 Y392 L393 K394 | K386-D390 WeakPolarHBondContact CD-OD2 3.09Å; K386-D390 WeakPolarHBondContact CE-OD1 3.28Å; K386-D390 WeakPolarHBondContact CE-OD2 3.44Å; K386-D390 WeakPolarHBondContact CG-OD2 3.48Å; K386-D390 PolarHBondContact O-N 2.97Å; D390-Y392 VanDerWaalsContact C-N 3.3Å; D390-Y392 PolarHBondContact O-N 2.61Å; D390-L393 PolarHBondContact O-N 3.34Å; D390-K394 WeakPolarHBondContact O-CB 3.43Å; D390-K394 WeakPolarHBondContact O-CG 3.22Å; D390-K394 PolarHBondContact O-N 2.66Å |
| 391 | A | 92.8 | Very high | 89.2 | Confident | 12 Ų | 12 | 48.6 Ų | 48.6 | 10% | 0.099 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.8 | -38 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | I348 I387 G389 Q395 | I348-A391 HydrophobicContact CD1-CB 3.96Å; I387-A391 VanDerWaalsContact O-CB 3.28Å; I387-A391 WeakPolarHBondContact O-CB 3.45Å; I387-A391 PolarHBondContact O-N 3.49Å; G389-A391 PolarHBondContact O-N 3.44Å; A391-Q395 VanDerWaalsContact O-CG 3.24Å; A391-Q395 WeakPolarHBondContact O-CG 3.36Å; A391-Q395 PolarHBondContact O-N 2.83Å |
| 392 | Y | 93.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -68.8 | -47.9 | 177.8 | -171.1 | -158.3 | 0 | 0 | 0 | 112.1 | V331 P332 F359 F363 I375 I388 G389 D390 K394 Q395 V396 Y406 N458 | V331-Y392 HydrophobicContact CG1-CD1 4Å; V331-Y392 HydrophobicContact CG1-CD2 3.91Å; V331-Y392 HydrophobicContact CG1-CG 3.6Å; V331-Y392 HydrophobicContact CG2-CD1 4.27Å; P332-Y392 HydrophobicContact CG-CD2 4.31Å; P332-Y392 HydrophobicContact CG-CE2 3.69Å; F359-Y392 AromaticContact CE2-CD2 3.89Å; F359-Y392 HydrophobicContact CE2-CD2 3.89Å; F359-Y392 AromaticContact CE2-CE2 3.88Å; F359-Y392 HydrophobicContact CE2-CE2 3.88Å; F359-Y392 HydrophobicContact CZ-CE2 4.33Å; F363-Y392 HydrophobicContact CE2-CE2 4.29Å; F363-Y392 HydrophobicContact CZ-CE2 4.13Å; I375-Y392 HydrophobicContact CD1-CE2 4.15Å; I375-Y392 VanDerWaalsContact CD1-OH 3.31Å; I375-Y392 WeakPolarHBondContact CD1-OH 3.37Å; I375-Y392 WeakPolarHBondContact CG1-OH 3.45Å; I375-Y392 HydrophobicContact CG2-CE1 3.44Å; I375-Y392 VanDerWaalsContact CG2-CE1 3.44Å; I375-Y392 VanDerWaalsContact CG2-OH 3.31Å; I375-Y392 WeakPolarHBondContact CG2-OH 3.38Å; I388-Y392 VanDerWaalsContact O-CB 3.27Å; I388-Y392 WeakPolarHBondContact O-CB 3.46Å; I388-Y392 PolarHBondContact O-N 3.48Å; G389-Y392 PolarHBondContact O-N 3.05Å; D390-Y392 VanDerWaalsContact C-N 3.3Å; D390-Y392 PolarHBondContact O-N 2.61Å; Y392-K394 VanDerWaalsContact C-N 3.32Å; Y392-K394 PolarHBondContact O-N 2.86Å; Y392-Q395 PolarHBondContact O-N 3.28Å; Y392-V396 HydrophobicContact CD2-CG2 4.24Å; Y392-V396 HydrophobicContact CE2-CG2 4.15Å; Y392-V396 WeakPolarHBondContact O-CG2 3.25Å; Y392-V396 PolarHBondContact O-N 3.12Å; Y392-Y406 AromaticContact CD1-CE2 3.82Å; Y392-Y406 HydrophobicContact CD1-CE2 3.82Å; Y392-Y406 HydrophobicContact CE1-CE2 4.04Å; Y392-Y406 HydrophobicContact CG-CE2 4.34Å; Y392-N458 HydrophobicContact CE1-CB 4.19Å; Y392-N458 WeakPolarHBondContact CE1-ND2 3.08Å; Y392-N458 PolarHBondContact OH-ND2 3.14Å |
| 393 | L | 93.7 | Very high | 90.6 | Very high | 51 Ų | 51 | 47.7 Ų | 47.7 | 27% | 0.267 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -58.8 | -43.7 | 177.8 | 174.3 | 57.4 | 0 | 0 | 0 | 111.3 | G389 D390 Q395 V396 L397 Y406 | G389-L393 WeakPolarHBondContact O-CB 3.39Å; G389-L393 PolarHBondContact O-N 2.77Å; D390-L393 PolarHBondContact O-N 3.34Å; L393-Q395 PolarHBondContact O-N 2.83Å; L393-V396 PolarHBondContact O-N 2.75Å; L393-L397 HydrophobicContact CD1-CD1 4.13Å; L393-L397 HydrophobicContact CD1-CG 4.25Å; L393-L397 HydrophobicContact CG-CD1 4.02Å; L393-L397 WeakPolarHBondContact O-CB 3.49Å; L393-L397 WeakPolarHBondContact O-CG 3.44Å; L393-L397 PolarHBondContact O-N 2.86Å; L393-Y406 HydrophobicContact CB-CE1 4.35Å; L393-Y406 HydrophobicContact CD1-CD1 3.84Å; L393-Y406 HydrophobicContact CD1-CE1 3.81Å; L393-Y406 HydrophobicContact CD1-CG 4.39Å; L393-Y406 HydrophobicContact CG-CE1 4.48Å |
| 394 | K | 93.4 | Very high | 91.4 | Very high | 91 Ų | 91 | 46.3 Ų | 46.3 | 40% | 0.396 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -58.8 | -43.8 | 174.4 | -75.9 | -176.1 | 173.3 | -161.5 | 0 | 113.2 | E352 D390 Y392 V396 L397 L398 | E352-K394 VanDerWaalsContact CD-CD 3.47Å; E352-K394 VanDerWaalsContact OE1-CD 3.27Å; E352-K394 WeakPolarHBondContact OE1-CD 3.47Å; E352-K394 IonicContact OE1-NZ 2.61Å; E352-K394 PolarHBondContact OE1-NZ 3.26Å; E352-K394 WeakPolarHBondContact OE2-CD 3.33Å; E352-K394 IonicContact OE2-NZ 2.62Å; E352-K394 PolarHBondContact OE2-NZ 3.1Å; D390-K394 WeakPolarHBondContact O-CB 3.43Å; D390-K394 WeakPolarHBondContact O-CG 3.22Å; D390-K394 PolarHBondContact O-N 2.66Å; Y392-K394 VanDerWaalsContact C-N 3.32Å; Y392-K394 PolarHBondContact O-N 2.86Å; K394-V396 VanDerWaalsContact C-N 3.35Å; K394-L397 PolarHBondContact O-N 2.91Å; K394-L398 VanDerWaalsContact O-CG 3.3Å; K394-L398 WeakPolarHBondContact O-CG 3.48Å; K394-L398 PolarHBondContact O-N 2.93Å |
| 395 | Q | 94 | Very high | 92.2 | Very high | 2 Ų | 2 | 41.5 Ų | 41.5 | 1% | 0.009 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -67.8 | -35.8 | 179.2 | -65.4 | -79.2 | -75.1 | 0 | 0 | 111.7 | V333 E352 T355 F359 A391 Y392 L393 L398 Y399 | V333-Q395 HydrophobicContact CG1-CG 4.06Å; E352-Q395 PolarHBondContact O-NE2 2.96Å; T355-Q395 VanDerWaalsContact CG2-OE1 3.28Å; F359-Q395 HydrophobicContact CD1-CB 4.25Å; F359-Q395 HydrophobicContact CD2-CB 3.46Å; F359-Q395 VanDerWaalsContact CD2-CB 3.46Å; F359-Q395 HydrophobicContact CD2-CG 4.14Å; F359-Q395 HydrophobicContact CE1-CB 4.17Å; F359-Q395 WeakPolarHBondContact CE1-O 3.26Å; F359-Q395 HydrophobicContact CE2-CB 3.33Å; F359-Q395 HydrophobicContact CE2-CG 4.37Å; F359-Q395 HydrophobicContact CG-CB 3.93Å; F359-Q395 HydrophobicContact CZ-CB 3.72Å; A391-Q395 VanDerWaalsContact O-CG 3.24Å; A391-Q395 WeakPolarHBondContact O-CG 3.36Å; A391-Q395 PolarHBondContact O-N 2.83Å; Y392-Q395 PolarHBondContact O-N 3.28Å; L393-Q395 PolarHBondContact O-N 2.83Å; Q395-L398 PolarHBondContact O-N 2.75Å; Q395-Y399 WeakPolarHBondContact O-CB 3.42Å; Q395-Y399 PolarHBondContact O-N 3.25Å |
| 396 | V | 94.8 | Very high | 92.7 | Very high | 2 Ų | 2 | 40.9 Ų | 40.9 | 1% | 0.012 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.8 | -46.8 | 170.5 | 175.4 | 0 | 0 | 0 | 0 | 111 | F359 I375 Y392 L393 K394 L398 Y399 N400 L404 Y406 | F359-V396 HydrophobicContact CZ-CB 4.48Å; F359-V396 HydrophobicContact CZ-CG2 3.8Å; I375-V396 HydrophobicContact CD1-CG2 3.7Å; Y392-V396 HydrophobicContact CD2-CG2 4.24Å; Y392-V396 HydrophobicContact CE2-CG2 4.15Å; Y392-V396 WeakPolarHBondContact O-CG2 3.25Å; Y392-V396 PolarHBondContact O-N 3.12Å; L393-V396 PolarHBondContact O-N 2.75Å; K394-V396 VanDerWaalsContact C-N 3.35Å; V396-L398 VanDerWaalsContact C-N 3.3Å; V396-L398 PolarHBondContact O-N 3.43Å; V396-Y399 PolarHBondContact O-N 3.46Å; V396-Y399 VanDerWaalsContact O-N 3.15Å; V396-N400 PolarHBondContact O-N 3.45Å; V396-L404 HydrophobicContact CG1-CD2 4.2Å; V396-L404 HydrophobicContact CG2-CD2 4.39Å; V396-Y406 HydrophobicContact CG2-CD2 4.06Å |
| 397 | L | 93.8 | Very high | 93 | Very high | 60 Ų | 60 | 37.2 Ų | 37.2 | 31% | 0.314 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -61.1 | -35 | 177.2 | -75.8 | 166 | 0 | 0 | 0 | 113.1 | L393 K394 L889 I894 | L393-L397 HydrophobicContact CD1-CD1 4.13Å; L393-L397 HydrophobicContact CD1-CG 4.25Å; L393-L397 HydrophobicContact CG-CD1 4.02Å; L393-L397 WeakPolarHBondContact O-CB 3.49Å; L393-L397 WeakPolarHBondContact O-CG 3.44Å; L393-L397 PolarHBondContact O-N 2.86Å; K394-L397 PolarHBondContact O-N 2.91Å; L397-L889 HydrophobicContact CD2-CD1 4.38Å; L397-I894 HydrophobicContact CD2-CD1 3.67Å |
| 398 | L | 92.8 | Very high | 93 | Very high | 96 Ų | 96 | 34.2 Ų | 34.2 | 50% | 0.503 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -76 | -27.4 | 175.5 | -70.8 | 169 | 0 | 0 | 0 | 113 | M356 K394 Q395 V396 | M356-L398 HydrophobicContact CE-CB 4.21Å; M356-L398 WeakPolarHBondContact CE-O 3.5Å; M356-L398 HydrophobicContact SD-CB 3.86Å; K394-L398 VanDerWaalsContact O-CG 3.3Å; K394-L398 WeakPolarHBondContact O-CG 3.48Å; K394-L398 PolarHBondContact O-N 2.93Å; Q395-L398 PolarHBondContact O-N 2.75Å; V396-L398 VanDerWaalsContact C-N 3.3Å; V396-L398 PolarHBondContact O-N 3.43Å |
| 399 | Y | 94.3 | Very high | 92.9 | Very high | 36 Ų | 36 | 34.2 Ų | 34.2 | 14% | 0.141 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -81.6 | -31.1 | 176.9 | -173 | -117.5 | 0 | 0 | 0 | 113 | M356 F359 A360 F363 L367 Q395 V396 N401 L404 | M356-Y399 HydrophobicContact CE-CD2 4.04Å; M356-Y399 HydrophobicContact CE-CG 4.48Å; F359-Y399 HydrophobicContact CD1-CG 4.33Å; F359-Y399 HydrophobicContact CE1-CD1 4.27Å; F359-Y399 HydrophobicContact CE1-CG 4Å; A360-Y399 HydrophobicContact CB-CD2 4.07Å; A360-Y399 HydrophobicContact CB-CE2 3.87Å; F363-Y399 HydrophobicContact CB-CD1 4.44Å; F363-Y399 HydrophobicContact CB-CE1 3.77Å; L367-Y399 HydrophobicContact CD1-CE1 4.34Å; Q395-Y399 WeakPolarHBondContact O-CB 3.42Å; Q395-Y399 PolarHBondContact O-N 3.25Å; V396-Y399 PolarHBondContact O-N 3.46Å; V396-Y399 VanDerWaalsContact O-N 3.15Å; Y399-N401 VanDerWaalsContact C-N 3.29Å; Y399-N401 HydrophobicContact CD1-CB 3.55Å; Y399-N401 HydrophobicContact CE1-CB 3.36Å; Y399-N401 HydrophobicContact CG-CB 4.42Å; Y399-N401 PolarHBondContact O-N 3.07Å; Y399-N401 VanDerWaalsContact O-N 3.09Å; Y399-N401 PolarHBondContact OH-ND2 3.49Å; Y399-L404 HydrophobicContact CD1-CD2 3.78Å; Y399-L404 HydrophobicContact CE1-CD2 4.22Å |
| 400 | N | 93.1 | Very high | 92.5 | Very high | 53 Ų | 53 | 34.6 Ų | 34.6 | 28% | 0.283 | 19% | 0.186 | S | C | . | . | trans | 43.4 | 46.5 | 168.3 | -162.7 | 45.7 | 0 | 0 | 0 | 115.2 | V396 S891 | V396-N400 PolarHBondContact O-N 3.45Å; N400-S891 WeakPolarHBondContact ND2-CB 3.48Å; N400-S891 PolarHBondContact ND2-OG 3.34Å; N400-S891 WeakPolarHBondContact OD1-CB 3.47Å | ||
| 401 | N | 93.1 | Very high | 91.9 | Very high | 35 Ų | 35 | 31.9 Ų | 31.9 | 19% | 0.187 | 17% | 0.172 | C | C | . | . | trans | -99.5 | 126.9 | -174.8 | -173.9 | -49.9 | 0 | 0 | 0 | 111.1 | L367 Y399 N403 L404 C892 | L367-N401 WeakPolarHBondContact CD1-ND2 3.49Å; Y399-N401 VanDerWaalsContact C-N 3.29Å; Y399-N401 HydrophobicContact CD1-CB 3.55Å; Y399-N401 HydrophobicContact CE1-CB 3.36Å; Y399-N401 HydrophobicContact CG-CB 4.42Å; Y399-N401 PolarHBondContact O-N 3.07Å; Y399-N401 VanDerWaalsContact O-N 3.09Å; Y399-N401 PolarHBondContact OH-ND2 3.49Å; N401-N403 PolarHBondContact O-N 3.44Å; N401-N403 PolarHBondContact OD1-N 2.92Å; N401-L404 HydrophobicContact CB-CB 4.3Å; N401-L404 WeakPolarHBondContact O-CB 3.48Å; N401-L404 PolarHBondContact O-N 3.4Å; N401-C892 PolarHBondContact N-SG 3.23Å; N401-C892 VanDerWaalsContact N-SG 3.41Å; N401-C892 PolarHBondContact O-SG 3.26Å; N401-C892 VanDerWaalsContact O-SG 3.35Å | ||
| 402 | P | 91.2 | Very high | 91.1 | Very high | 95 Ų | 95 | 35 Ų | 35 | 62% | 0.617 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -23.2 | -175.6 | 27.2 | -36 | 0 | 0 | 0 | 114.4 | L404 S891 | P402-L404 PolarHBondContact O-N 3.41Å; P402-S891 WeakPolarHBondContact CA-O 3.46Å |
| 403 | N | 93.3 | Very high | 90.3 | Very high | 73 Ų | 73 | 41 Ų | 41 | 39% | 0.39 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | 2.4 | 175.9 | -63.6 | -7.9 | 0 | 0 | 0 | 112.4 | L367 T371 K372 Q373 N401 | L367-N403 HydrophobicContact CD1-CB 4.29Å; L367-N403 HydrophobicContact CD2-CB 3.82Å; T371-N403 PolarHBondContact O-ND2 2.83Å; K372-N403 WeakPolarHBondContact CA-O 3.3Å; Q373-N403 PolarHBondContact N-O 2.82Å; N401-N403 PolarHBondContact O-N 3.44Å; N401-N403 PolarHBondContact OD1-N 2.92Å |
| 404 | L | 94.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 115.3 | 178.3 | -166.1 | 66.1 | 0 | 0 | 0 | 111.2 | F363 Q373 I375 V396 Y399 N401 P402 | F363-L404 HydrophobicContact CD1-CD1 3.64Å; F363-L404 HydrophobicContact CD1-CD2 4.06Å; F363-L404 HydrophobicContact CE1-CD1 3.57Å; F363-L404 HydrophobicContact CE1-CD2 4.2Å; F363-L404 HydrophobicContact CG-CD2 4.23Å; F363-L404 HydrophobicContact CZ-CD1 4.45Å; F363-L404 HydrophobicContact CZ-CD2 4.49Å; Q373-L404 HydrophobicContact CB-CD1 4.01Å; Q373-L404 HydrophobicContact CG-CD1 4.36Å; Q373-L404 WeakPolarHBondContact O-CA 3.44Å; I375-L404 HydrophobicContact CD1-CD1 3.75Å; I375-L404 HydrophobicContact CD1-CD2 4.1Å; I375-L404 HydrophobicContact CD1-CG 3.97Å; I375-L404 HydrophobicContact CG1-CD1 4.02Å; V396-L404 HydrophobicContact CG1-CD2 4.2Å; V396-L404 HydrophobicContact CG2-CD2 4.39Å; Y399-L404 HydrophobicContact CD1-CD2 3.78Å; Y399-L404 HydrophobicContact CE1-CD2 4.22Å; N401-L404 HydrophobicContact CB-CB 4.3Å; N401-L404 WeakPolarHBondContact O-CB 3.48Å; N401-L404 PolarHBondContact O-N 3.4Å; P402-L404 PolarHBondContact O-N 3.41Å |
| 405 | T | 93.8 | Very high | 88 | Confident | 20 Ų | 20 | 36.1 Ų | 36.1 | 12% | 0.123 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 143.7 | 175.3 | -48.7 | 0 | 0 | 0 | 0 | 109.9 | Q373 V374 I375 G893 | Q373-T405 PolarHBondContact O-N 2.77Å; V374-T405 HydrophobicContact CG1-CG2 4.33Å; I375-T405 PolarHBondContact N-O 2.83Å; T405-G893 CarbonylContact C-O 3.58Å; T405-G893 WeakPolarHBondContact CA-O 3.4Å; T405-G893 VanDerWaalsContact CG2-O 3.25Å; T405-G893 WeakPolarHBondContact CG2-O 3.46Å |
| 406 | Y | 94.6 | Very high | 86.5 | Confident | 5 Ų | 5 | 45.7 Ų | 45.7 | 2% | 0.02 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 117.4 | 177.6 | -177.2 | -87.8 | 0 | 0 | 0 | 111.8 | I375 N377 Y392 L393 V396 G893 I894 V895 | I375-Y406 HydrophobicContact CB-CD2 4.06Å; I375-Y406 HydrophobicContact CD1-CD2 4.16Å; I375-Y406 HydrophobicContact CG2-CD2 3.71Å; I375-Y406 HydrophobicContact CG2-CE2 4.02Å; N377-Y406 HydrophobicContact CB-CE2 3.96Å; N377-Y406 PolarHBondContact ND2-OH 2.85Å; Y392-Y406 AromaticContact CD1-CE2 3.82Å; Y392-Y406 HydrophobicContact CD1-CE2 3.82Å; Y392-Y406 HydrophobicContact CE1-CE2 4.04Å; Y392-Y406 HydrophobicContact CG-CE2 4.34Å; L393-Y406 HydrophobicContact CB-CE1 4.35Å; L393-Y406 HydrophobicContact CD1-CD1 3.84Å; L393-Y406 HydrophobicContact CD1-CE1 3.81Å; L393-Y406 HydrophobicContact CD1-CG 4.39Å; L393-Y406 HydrophobicContact CG-CE1 4.48Å; V396-Y406 HydrophobicContact CG2-CD2 4.06Å; Y406-G893 PolarHBondContact N-O 3.35Å; Y406-I894 WeakPolarHBondContact O-CA 3.37Å; Y406-V895 PolarHBondContact O-N 3.07Å |
| 407 | V | 92.8 | Very high | 84.6 | Confident | 2 Ų | 2 | 48.8 Ų | 48.8 | 1% | 0.012 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 122 | 175.8 | -170.7 | 0 | 0 | 0 | 0 | 108.8 | V374 I375 I376 N377 L426 I430 V895 | V374-V407 HydrophobicContact CG1-CG2 3.76Å; I375-V407 PolarHBondContact O-N 3.09Å; I376-V407 HydrophobicContact CG1-CB 4.38Å; N377-V407 PolarHBondContact N-O 2.83Å; V407-L426 HydrophobicContact CG1-CD1 4.04Å; V407-I430 HydrophobicContact CG1-CG2 4.39Å; V407-I430 HydrophobicContact CG2-CG2 4.45Å; V407-V895 WeakPolarHBondContact CA-O 3.45Å; V407-V895 HydrophobicContact CG1-CB 4.32Å; V407-V895 HydrophobicContact CG1-CG1 4.49Å; V407-V895 HydrophobicContact CG2-CB 4.21Å |
| 408 | S | 90.6 | Very high | 82.9 | Confident | 23 Ų | 23 | 49.6 Ų | 49.6 | 16% | 0.161 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 127 | 174.4 | -157.3 | 0 | 0 | 0 | 0 | 109.9 | Q381 V895 S897 | Q381-S408 PolarHBondContact NE2-OG 2.85Å; S408-V895 PolarHBondContact N-O 2.87Å; S408-V895 VanDerWaalsContact N-O 3.08Å; S408-S897 PolarHBondContact O-OG 2.64Å |
| 409 | F | 88.6 | Confident | 81.4 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 26% | 0.264 | C | S | . | . | trans | -139.7 | 108.8 | 179.9 | -179.2 | -98.7 | 0 | 0 | 0 | 110.6 | N377 L378 F411 H414 L426 | N377-F409 PolarHBondContact O-N 3.48Å; L378-F409 HydrophobicContact CD2-CB 4.37Å; L378-F409 HydrophobicContact CD2-CD1 3.97Å; F409-F411 HydrophobicContact CD1-CB 4.4Å; F409-F411 HydrophobicContact CD1-CD2 4.49Å; F409-F411 HydrophobicContact CE1-CB 4.47Å; F409-F411 HydrophobicContact CE1-CD2 4.19Å; F409-F411 PolarHBondContact O-N 3.47Å; F409-H414 HydrophobicContact CE1-CB 4.08Å; F409-H414 HydrophobicContact CE2-CB 4Å; F409-H414 AromaticContact CE2-CD2 3.74Å; F409-H414 AromaticContact CE2-CG 3.63Å; F409-H414 HydrophobicContact CZ-CB 3.5Å; F409-H414 VanDerWaalsContact CZ-CB 3.5Å; F409-H414 AromaticContact CZ-CG 3.69Å; F409-L426 HydrophobicContact CB-CD1 4.16Å; F409-L426 HydrophobicContact CB-CD2 4.36Å; F409-L426 HydrophobicContact CD1-CD2 4.01Å; F409-L426 HydrophobicContact CD2-CB 3.94Å; F409-L426 HydrophobicContact CD2-CD1 4.11Å; F409-L426 HydrophobicContact CD2-CD2 4.45Å; F409-L426 HydrophobicContact CD2-CG 4.39Å; F409-L426 HydrophobicContact CE1-CB 4.49Å; F409-L426 HydrophobicContact CE1-CD2 4.4Å; F409-L426 HydrophobicContact CE2-CB 3.81Å; F409-L426 HydrophobicContact CG-CB 4.34Å; F409-L426 HydrophobicContact CG-CD1 4.18Å; F409-L426 HydrophobicContact CG-CD2 4.02Å; F409-L426 HydrophobicContact CG-CG 4.42Å; F409-L426 HydrophobicContact CZ-CB 4.08Å | ||
| 410 | D | 83.1 | Confident | 79.9 | Confident | 10 Ų | 10 | 49.8 Ų | 49.8 | 5% | 0.053 | 26% | 0.259 | C | S | . | . | trans | -74.3 | 96.2 | 177.5 | -164.2 | -50.4 | 0 | 0 | 0 | 110.8 | D380 Q381 H412 E413 H414 | D380-D410 WeakPolarHBondContact CA-OD2 3.35Å; Q381-D410 HydrophobicContact CG-CB 4.11Å; Q381-D410 PolarHBondContact N-OD2 3.02Å; D410-H412 VanDerWaalsContact C-N 3.26Å; D410-H412 PolarHBondContact O-N 3.27Å; D410-H412 WeakPolarHBondContact OD1-CA 3.28Å; D410-H412 WeakPolarHBondContact OD1-CB 3.41Å; D410-H412 PolarHBondContact OD1-N 2.84Å; D410-E413 HydrophobicContact CB-CB 4.15Å; D410-E413 PolarHBondContact O-N 2.89Å; D410-E413 PolarHBondContact OD1-N 2.67Å; D410-H414 WeakPolarHBondContact O-CB 3.33Å; D410-H414 PolarHBondContact O-N 3.33Å; D410-H414 PolarHBondContact O-ND1 3.29Å | ||
| 411 | F | 79.1 | Confident | 78.7 | Confident | 4 Ų | 4 | 54.7 Ų | 54.7 | 2% | 0.018 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.9 | -26.7 | 179.2 | -165.1 | -75.7 | 0 | 0 | 0 | 112.9 | L378 F409 C415 F420 V423 R465 V469 | L378-F411 HydrophobicContact CB-CB 4.35Å; L378-F411 HydrophobicContact CD1-CD2 4.38Å; L378-F411 HydrophobicContact CD2-CD2 4.39Å; F409-F411 HydrophobicContact CD1-CB 4.4Å; F409-F411 HydrophobicContact CD1-CD2 4.49Å; F409-F411 HydrophobicContact CE1-CB 4.47Å; F409-F411 HydrophobicContact CE1-CD2 4.19Å; F409-F411 PolarHBondContact O-N 3.47Å; F411-C415 HydrophobicContact CD1-CB 4.08Å; F411-C415 HydrophobicContact CE1-CB 3.86Å; F411-C415 HydrophobicContact CZ-CB 4.39Å; F411-C415 VanDerWaalsContact O-CB 3.3Å; F411-C415 WeakPolarHBondContact O-CB 3.36Å; F411-C415 PolarHBondContact O-N 3.16Å; F411-F420 HydrophobicContact CE1-CD1 4.03Å; F411-F420 AromaticContact CE1-CE1 3.67Å; F411-F420 HydrophobicContact CE1-CE1 3.67Å; F411-F420 AromaticContact CZ-CD1 3.7Å; F411-F420 HydrophobicContact CZ-CD1 3.7Å; F411-F420 AromaticContact CZ-CE1 3.68Å; F411-F420 HydrophobicContact CZ-CE1 3.68Å; F411-V423 HydrophobicContact CE2-CG2 3.92Å; F411-V423 HydrophobicContact CZ-CG2 4.47Å; F411-R465 HydrophobicContact CD1-CG 3.56Å; F411-R465 HydrophobicContact CD2-CB 4.47Å; F411-R465 HydrophobicContact CD2-CG 4.21Å; F411-R465 HydrophobicContact CE1-CG 3.7Å; F411-R465 HydrophobicContact CE2-CB 4.46Å; F411-R465 HydrophobicContact CE2-CG 4.3Å; F411-R465 HydrophobicContact CG-CG 3.85Å; F411-R465 HydrophobicContact CZ-CG 4.05Å; F411-V469 HydrophobicContact CD2-CG2 4.25Å; F411-V469 HydrophobicContact CE2-CG2 3.99Å |
| 412 | H | 74.8 | Confident | 78 | Confident | 78 Ų | 78 | 55.2 Ų | 55.2 | 36% | 0.361 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -78.6 | -34.1 | -179.3 | -73.8 | 112.6 | 0 | 0 | 0 | 112.3 | D410 R416 R465 | D410-H412 VanDerWaalsContact C-N 3.26Å; D410-H412 PolarHBondContact O-N 3.27Å; D410-H412 WeakPolarHBondContact OD1-CA 3.28Å; D410-H412 WeakPolarHBondContact OD1-CB 3.41Å; D410-H412 PolarHBondContact OD1-N 2.84Å; H412-R416 WeakPolarHBondContact O-CB 3.31Å; H412-R416 PolarHBondContact O-N 2.62Å; H412-R465 VanDerWaalsContact CE1-CZ 3.42Å; H412-R465 PolarHBondContact CE1-NH1 3.07Å |
| 413 | E | 76.4 | Confident | 77.5 | Confident | 125 Ų | 125 | 51 Ų | 51 | 58% | 0.584 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -72.9 | -55.6 | 170.6 | -178.7 | 158.2 | -133.4 | 0 | 0 | 111.2 | D410 C415 R416 | D410-E413 HydrophobicContact CB-CB 4.15Å; D410-E413 PolarHBondContact O-N 2.89Å; D410-E413 PolarHBondContact OD1-N 2.67Å; E413-C415 PolarHBondContact O-N 2.84Å; E413-R416 WeakPolarHBondContact O-CB 3.36Å; E413-R416 PolarHBondContact O-N 3.39Å |
| 414 | H | 72 | Confident | 76.9 | Confident | 34 Ų | 34 | 50.8 Ų | 50.8 | 16% | 0.157 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.5 | -42.3 | -174.2 | -70.5 | 79.7 | 0 | 0 | 0 | 112.4 | F409 D410 R416 N422 | F409-H414 HydrophobicContact CE1-CB 4.08Å; F409-H414 HydrophobicContact CE2-CB 4Å; F409-H414 AromaticContact CE2-CD2 3.74Å; F409-H414 AromaticContact CE2-CG 3.63Å; F409-H414 HydrophobicContact CZ-CB 3.5Å; F409-H414 VanDerWaalsContact CZ-CB 3.5Å; F409-H414 AromaticContact CZ-CG 3.69Å; D410-H414 WeakPolarHBondContact O-CB 3.33Å; D410-H414 PolarHBondContact O-N 3.33Å; D410-H414 PolarHBondContact O-ND1 3.29Å; H414-R416 VanDerWaalsContact C-N 3.34Å; H414-R416 PolarHBondContact O-N 3.48Å; H414-N422 HydrophobicContact CB-CB 4.49Å; H414-N422 WeakPolarHBondContact O-CB 3.18Å; H414-N422 PolarHBondContact O-ND2 3.36Å |
| 415 | C | 67.1 | Low | 76.6 | Confident | 6 Ų | 6 | 54.8 Ų | 54.8 | 4% | 0.041 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | 22.8 | 177.6 | -58.3 | 0 | 0 | 0 | 0 | 113.5 | F411 E413 G417 M418 K419 F420 | F411-C415 HydrophobicContact CD1-CB 4.08Å; F411-C415 HydrophobicContact CE1-CB 3.86Å; F411-C415 HydrophobicContact CZ-CB 4.39Å; F411-C415 VanDerWaalsContact O-CB 3.3Å; F411-C415 WeakPolarHBondContact O-CB 3.36Å; F411-C415 PolarHBondContact O-N 3.16Å; E413-C415 PolarHBondContact O-N 2.84Å; C415-G417 PolarHBondContact O-N 2.87Å; C415-M418 PolarHBondContact O-N 2.79Å; C415-K419 WeakPolarHBondContact CA-O 3.5Å; C415-K419 PolarHBondContact O-N 2.85Å; C415-K419 PolarHBondContact SG-O 3.24Å; C415-K419 VanDerWaalsContact SG-O 3.41Å; C415-F420 HydrophobicContact CB-CD1 4.24Å |
| 416 | R | 63.2 | Low | 76.3 | Confident | 202 Ų | 202 | 54 Ų | 54 | 76% | 0.762 | 27% | 0.267 | S | S | * | . | G | 310 helix | trans | -57.3 | 138.4 | 175 | -166.3 | 170 | -180 | 175.9 | -0.5 | 110.4 | H412 E413 H414 M418 | H412-R416 WeakPolarHBondContact O-CB 3.31Å; H412-R416 PolarHBondContact O-N 2.62Å; E413-R416 WeakPolarHBondContact O-CB 3.36Å; E413-R416 PolarHBondContact O-N 3.39Å; H414-R416 VanDerWaalsContact C-N 3.34Å; H414-R416 PolarHBondContact O-N 3.48Å; R416-M418 VanDerWaalsContact C-N 3.28Å; R416-M418 PolarHBondContact O-N 2.89Å |
| 417 | G | 55.7 | Low | 76.1 | Confident | 67 Ų | 67 | 53.8 Ų | 53.8 | 69% | 0.691 | 27% | 0.266 | S | S | * | . | G | 310 helix | trans | 71.6 | 17.9 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | C415 K419 | C415-G417 PolarHBondContact O-N 2.87Å; G417-K419 VanDerWaalsContact C-N 3.34Å |
| 418 | M | 56.3 | Low | 75.9 | Confident | 78 Ų | 78 | 58 Ų | 58 | 38% | 0.384 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | 69.1 | 23.5 | -177.2 | -49.5 | -71 | 101.4 | 0 | 0 | 114.3 | C415 R416 F420 R533 | C415-M418 PolarHBondContact O-N 2.79Å; R416-M418 VanDerWaalsContact C-N 3.28Å; R416-M418 PolarHBondContact O-N 2.89Å; M418-F420 HydrophobicContact CB-CD2 4.24Å; M418-F420 HydrophobicContact CB-CE2 3.8Å; M418-F420 HydrophobicContact CG-CE2 4.41Å; M418-F420 WeakPolarHBondContact O-CD2 3.19Å; M418-F420 PolarHBondContact O-N 2.88Å; M418-F420 HydrophobicContact SD-CE2 3.89Å; M418-F420 HydrophobicContact SD-CZ 4.05Å; M418-R533 HydrophobicContact CB-CG 4.33Å; M418-R533 HydrophobicContact CG-CG 4.04Å; M418-R533 HydrophobicContact SD-CG 4.26Å |
| 419 | K | 62.6 | Low | 75.9 | Confident | 127 Ų | 127 | 59.9 Ų | 59.9 | 55% | 0.552 | 31% | 0.306 | S | S | * | . | trans | -76.1 | 71.2 | 173.5 | -67.1 | -167.7 | 173.4 | -164.4 | 0 | 111.9 | C415 G417 E421 N422 | C415-K419 WeakPolarHBondContact CA-O 3.5Å; C415-K419 PolarHBondContact O-N 2.85Å; C415-K419 PolarHBondContact SG-O 3.24Å; C415-K419 VanDerWaalsContact SG-O 3.41Å; G417-K419 VanDerWaalsContact C-N 3.34Å; K419-E421 VanDerWaalsContact C-N 3.26Å; K419-E421 PolarHBondContact O-N 2.61Å; K419-N422 WeakPolarHBondContact O-CB 3.32Å; K419-N422 PolarHBondContact O-N 3.09Å | ||
| 420 | F | 62.7 | Low | 76.1 | Confident | 9 Ų | 9 | 60 Ų | 60 | 4% | 0.039 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -73.1 | -16.7 | 179.5 | -64.9 | -81.4 | 0 | 0 | 0 | 113.6 | F411 C415 M418 N422 V423 V468 K524 F527 | F411-F420 HydrophobicContact CE1-CD1 4.03Å; F411-F420 AromaticContact CE1-CE1 3.67Å; F411-F420 HydrophobicContact CE1-CE1 3.67Å; F411-F420 AromaticContact CZ-CD1 3.7Å; F411-F420 HydrophobicContact CZ-CD1 3.7Å; F411-F420 AromaticContact CZ-CE1 3.68Å; F411-F420 HydrophobicContact CZ-CE1 3.68Å; C415-F420 HydrophobicContact CB-CD1 4.24Å; M418-F420 HydrophobicContact CB-CD2 4.24Å; M418-F420 HydrophobicContact CB-CE2 3.8Å; M418-F420 HydrophobicContact CG-CE2 4.41Å; M418-F420 WeakPolarHBondContact O-CD2 3.19Å; M418-F420 PolarHBondContact O-N 2.88Å; M418-F420 HydrophobicContact SD-CE2 3.89Å; M418-F420 HydrophobicContact SD-CZ 4.05Å; F420-N422 PolarHBondContact O-N 3.01Å; F420-N422 VanDerWaalsContact O-N 3.14Å; F420-V423 WeakPolarHBondContact O-CB 3.08Å; F420-V423 WeakPolarHBondContact O-CG2 3.29Å; F420-V423 PolarHBondContact O-N 3.17Å; F420-V468 HydrophobicContact CD1-CG1 4.5Å; F420-K524 HydrophobicContact CE1-CD 4.43Å; F420-K524 HydrophobicContact CZ-CD 3.9Å; F420-F527 HydrophobicContact CB-CD1 4.33Å; F420-F527 HydrophobicContact CB-CD2 4.33Å; F420-F527 HydrophobicContact CB-CE1 3.55Å; F420-F527 HydrophobicContact CB-CE2 3.53Å; F420-F527 HydrophobicContact CB-CZ 3.11Å; F420-F527 HydrophobicContact CD1-CD1 4.29Å; F420-F527 HydrophobicContact CD1-CE1 4.13Å; F420-F527 HydrophobicContact CD1-CZ 4.5Å; F420-F527 AromaticContact CD2-CD1 3.86Å; F420-F527 HydrophobicContact CD2-CD1 3.86Å; F420-F527 AromaticContact CD2-CD2 3.41Å; F420-F527 HydrophobicContact CD2-CD2 3.41Å; F420-F527 VanDerWaalsContact CD2-CD2 3.41Å; F420-F527 AromaticContact CD2-CE1 3.94Å; F420-F527 HydrophobicContact CD2-CE1 3.94Å; F420-F527 AromaticContact CD2-CE2 3.47Å; F420-F527 HydrophobicContact CD2-CE2 3.47Å; F420-F527 VanDerWaalsContact CD2-CE2 3.47Å; F420-F527 AromaticContact CD2-CG 3.64Å; F420-F527 HydrophobicContact CD2-CG 3.64Å; F420-F527 AromaticContact CD2-CZ 3.79Å; F420-F527 HydrophobicContact CD2-CZ 3.79Å; F420-F527 HydrophobicContact CE2-CB 4.39Å; F420-F527 HydrophobicContact CE2-CD1 4.19Å; F420-F527 AromaticContact CE2-CD2 3.95Å; F420-F527 HydrophobicContact CE2-CD2 3.95Å; F420-F527 HydrophobicContact CE2-CE2 4.43Å; F420-F527 AromaticContact CE2-CG 3.85Å; F420-F527 HydrophobicContact CE2-CG 3.85Å; F420-F527 AromaticContact CG-CD1 3.92Å; F420-F527 HydrophobicContact CG-CD1 3.92Å; F420-F527 HydrophobicContact CG-CD2 4.1Å; F420-F527 AromaticContact CG-CE1 3.63Å; F420-F527 HydrophobicContact CG-CE1 3.63Å; F420-F527 AromaticContact CG-CE2 3.78Å; F420-F527 HydrophobicContact CG-CE2 3.78Å; F420-F527 HydrophobicContact CG-CG 4.19Å; F420-F527 AromaticContact CG-CZ 3.6Å; F420-F527 HydrophobicContact CG-CZ 3.6Å |
| 421 | E | 66.8 | Low | 76.5 | Confident | 155 Ų | 155 | 63.8 Ų | 63.8 | 72% | 0.724 | 32% | 0.323 | S | S | * | . | G | 310 helix | trans | -49 | -33.5 | 165.5 | -68.9 | 151.8 | -137.4 | 0 | 0 | 112 | K419 V423 Q424 | K419-E421 VanDerWaalsContact C-N 3.26Å; K419-E421 PolarHBondContact O-N 2.61Å; E421-V423 PolarHBondContact O-N 2.81Å; E421-Q424 WeakPolarHBondContact O-CB 3.38Å; E421-Q424 PolarHBondContact O-N 2.91Å |
| 422 | N | 78.4 | Confident | 77.1 | Confident | 47 Ų | 47 | 69.9 Ų | 69.9 | 25% | 0.251 | 36% | 0.355 | S | S | . | . | G | 310 helix | trans | -67.4 | -4.5 | 178.4 | -64.6 | -10 | 0 | 0 | 0 | 113.9 | H414 K419 F420 I425 | H414-N422 HydrophobicContact CB-CB 4.49Å; H414-N422 WeakPolarHBondContact O-CB 3.18Å; H414-N422 PolarHBondContact O-ND2 3.36Å; K419-N422 WeakPolarHBondContact O-CB 3.32Å; K419-N422 PolarHBondContact O-N 3.09Å; F420-N422 PolarHBondContact O-N 3.01Å; F420-N422 VanDerWaalsContact O-N 3.14Å; N422-I425 HydrophobicContact CB-CD1 3.9Å; N422-I425 WeakPolarHBondContact O-CB 3.26Å; N422-I425 PolarHBondContact O-N 2.74Å |
| 423 | V | 81.2 | Confident | 77.9 | Confident | 5 Ų | 5 | 68 Ų | 68 | 3% | 0.03 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -68.2 | -23.8 | 164.6 | 176.7 | 0 | 0 | 0 | 0 | 111.1 | F411 F420 E421 I425 L426 T427 V468 V469 A472 | F411-V423 HydrophobicContact CE2-CG2 3.92Å; F411-V423 HydrophobicContact CZ-CG2 4.47Å; F420-V423 WeakPolarHBondContact O-CB 3.08Å; F420-V423 WeakPolarHBondContact O-CG2 3.29Å; F420-V423 PolarHBondContact O-N 3.17Å; E421-V423 PolarHBondContact O-N 2.81Å; V423-I425 PolarHBondContact O-N 2.9Å; V423-L426 WeakPolarHBondContact O-CB 3.38Å; V423-L426 PolarHBondContact O-N 2.98Å; V423-L426 VanDerWaalsContact O-N 3.07Å; V423-T427 PolarHBondContact O-N 2.97Å; V423-T427 VanDerWaalsContact O-N 3.12Å; V423-V468 HydrophobicContact CG2-CG1 4.17Å; V423-V469 HydrophobicContact CG1-CG2 4.14Å; V423-A472 HydrophobicContact CG1-CB 3.75Å |
| 424 | Q | 81.5 | Confident | 78.7 | Confident | 70 Ų | 70 | 62.1 Ų | 62.1 | 33% | 0.327 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -61 | -36.3 | 173 | -166.3 | 62.7 | 47.2 | 0 | 0 | 111.1 | E421 L426 T427 D428 | E421-Q424 WeakPolarHBondContact O-CB 3.38Å; E421-Q424 PolarHBondContact O-N 2.91Å; Q424-L426 PolarHBondContact O-N 2.71Å; Q424-T427 WeakPolarHBondContact CA-OG1 3.43Å; Q424-T427 PolarHBondContact NE2-OG1 3.46Å; Q424-T427 VanDerWaalsContact NE2-OG1 3.13Å; Q424-T427 PolarHBondContact O-N 3.22Å; Q424-T427 PolarHBondContact O-OG1 3.19Å; Q424-D428 PolarHBondContact NE2-OD1 2.79Å; Q424-D428 WeakPolarHBondContact O-CB 3.42Å; Q424-D428 PolarHBondContact O-N 3.34Å |
| 425 | I | 86.9 | Confident | 79.5 | Confident | 84 Ų | 84 | 63.4 Ų | 63.4 | 43% | 0.431 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -56.8 | -38.4 | 174.2 | -52.2 | 173.4 | 0 | 0 | 0 | 111.3 | N422 V423 A429 | N422-I425 HydrophobicContact CB-CD1 3.9Å; N422-I425 WeakPolarHBondContact O-CB 3.26Å; N422-I425 PolarHBondContact O-N 2.74Å; V423-I425 PolarHBondContact O-N 2.9Å; I425-A429 VanDerWaalsContact O-CB 3.24Å; I425-A429 WeakPolarHBondContact O-CB 3.31Å; I425-A429 PolarHBondContact O-N 3.14Å; I425-A429 VanDerWaalsContact O-N 3.12Å |
| 426 | L | 88.9 | Confident | 80.6 | Confident | 2 Ų | 2 | 67 Ų | 67 | 1% | 0.01 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -69.2 | -47.1 | 175 | 174.1 | 62.1 | 0 | 0 | 0 | 111.3 | I376 L378 V407 F409 V423 Q424 D428 A429 I430 V469 | I376-L426 HydrophobicContact CG2-CD2 3.96Å; L378-L426 HydrophobicContact CD2-CD2 4.42Å; V407-L426 HydrophobicContact CG1-CD1 4.04Å; F409-L426 HydrophobicContact CB-CD1 4.16Å; F409-L426 HydrophobicContact CB-CD2 4.36Å; F409-L426 HydrophobicContact CD1-CD2 4.01Å; F409-L426 HydrophobicContact CD2-CB 3.94Å; F409-L426 HydrophobicContact CD2-CD1 4.11Å; F409-L426 HydrophobicContact CD2-CD2 4.45Å; F409-L426 HydrophobicContact CD2-CG 4.39Å; F409-L426 HydrophobicContact CE1-CB 4.49Å; F409-L426 HydrophobicContact CE1-CD2 4.4Å; F409-L426 HydrophobicContact CE2-CB 3.81Å; F409-L426 HydrophobicContact CG-CB 4.34Å; F409-L426 HydrophobicContact CG-CD1 4.18Å; F409-L426 HydrophobicContact CG-CD2 4.02Å; F409-L426 HydrophobicContact CG-CG 4.42Å; F409-L426 HydrophobicContact CZ-CB 4.08Å; V423-L426 WeakPolarHBondContact O-CB 3.38Å; V423-L426 PolarHBondContact O-N 2.98Å; V423-L426 VanDerWaalsContact O-N 3.07Å; Q424-L426 PolarHBondContact O-N 2.71Å; L426-D428 VanDerWaalsContact C-N 3.32Å; L426-D428 PolarHBondContact O-N 2.88Å; L426-A429 PolarHBondContact O-N 3.18Å; L426-I430 HydrophobicContact CD1-CD1 4.5Å; L426-I430 HydrophobicContact CD1-CG2 4.38Å; L426-I430 HydrophobicContact CG-CD1 4.48Å; L426-I430 WeakPolarHBondContact O-CG1 3.22Å; L426-I430 PolarHBondContact O-N 3.22Å; L426-V469 HydrophobicContact CD2-CG1 3.87Å; L426-V469 HydrophobicContact CD2-CG2 4.33Å |
| 427 | T | 89.4 | Confident | 81.9 | Confident | 1 Ų | 1 | 57.3 Ų | 57.3 | 1% | 0.006 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -66.3 | -33.8 | -179.6 | 51.3 | 0 | 0 | 0 | 0 | 112.9 | V423 Q424 I430 F431 A472 I473 | V423-T427 PolarHBondContact O-N 2.97Å; V423-T427 VanDerWaalsContact O-N 3.12Å; Q424-T427 WeakPolarHBondContact CA-OG1 3.43Å; Q424-T427 PolarHBondContact NE2-OG1 3.46Å; Q424-T427 VanDerWaalsContact NE2-OG1 3.13Å; Q424-T427 PolarHBondContact O-N 3.22Å; Q424-T427 PolarHBondContact O-OG1 3.19Å; T427-I430 CarbonylContact O-C 3.5Å; T427-I430 PolarHBondContact O-N 3.32Å; T427-F431 WeakPolarHBondContact O-CA 3.5Å; T427-F431 PolarHBondContact O-N 2.69Å; T427-A472 HydrophobicContact CG2-CB 3.97Å; T427-I473 HydrophobicContact CG2-CG1 4.13Å |
| 428 | D | 89.1 | Confident | 83.6 | Confident | 92 Ų | 92 | 58.3 Ų | 58.3 | 49% | 0.492 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -68.7 | -44.1 | 176 | -60.4 | -14.7 | 0 | 0 | 0 | 110.2 | Q424 L426 I430 F431 | Q424-D428 PolarHBondContact NE2-OD1 2.79Å; Q424-D428 WeakPolarHBondContact O-CB 3.42Å; Q424-D428 PolarHBondContact O-N 3.34Å; L426-D428 VanDerWaalsContact C-N 3.32Å; L426-D428 PolarHBondContact O-N 2.88Å; D428-I430 PolarHBondContact O-N 3.28Å; D428-F431 WeakPolarHBondContact O-CB 3.32Å; D428-F431 PolarHBondContact O-N 3.29Å |
| 429 | A | 90.3 | Very high | 85.4 | Confident | 62 Ų | 62 | 54.9 Ų | 54.9 | 51% | 0.512 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -67.2 | -14.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | I425 L426 | I425-A429 VanDerWaalsContact O-CB 3.24Å; I425-A429 WeakPolarHBondContact O-CB 3.31Å; I425-A429 PolarHBondContact O-N 3.14Å; I425-A429 VanDerWaalsContact O-N 3.12Å; L426-A429 PolarHBondContact O-N 3.18Å |
| 430 | I | 92.4 | Very high | 86.9 | Confident | 2 Ų | 2 | 48.8 Ų | 48.8 | 1% | 0.01 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -119.7 | 13.7 | 174.8 | 73.4 | -175 | 0 | 0 | 0 | 112.6 | I376 V407 L426 T427 D428 D432 I433 I434 F455 I473 | I376-I430 HydrophobicContact CD1-CD1 3.72Å; V407-I430 HydrophobicContact CG1-CG2 4.39Å; V407-I430 HydrophobicContact CG2-CG2 4.45Å; L426-I430 HydrophobicContact CD1-CD1 4.5Å; L426-I430 HydrophobicContact CD1-CG2 4.38Å; L426-I430 HydrophobicContact CG-CD1 4.48Å; L426-I430 WeakPolarHBondContact O-CG1 3.22Å; L426-I430 PolarHBondContact O-N 3.22Å; T427-I430 CarbonylContact O-C 3.5Å; T427-I430 PolarHBondContact O-N 3.32Å; D428-I430 PolarHBondContact O-N 3.28Å; I430-D432 VanDerWaalsContact C-N 3.33Å; I430-D432 PolarHBondContact O-N 3.11Å; I430-I433 HydrophobicContact CB-CB 4.38Å; I430-I433 HydrophobicContact CB-CD1 4.25Å; I430-I433 HydrophobicContact CG2-CD1 4.35Å; I430-I433 CarbonylContact O-C 3.48Å; I430-I433 WeakPolarHBondContact O-CA 3.1Å; I430-I433 WeakPolarHBondContact O-CB 3.49Å; I430-I433 PolarHBondContact O-N 3.48Å; I430-I434 HydrophobicContact CD1-CD1 4.31Å; I430-I434 HydrophobicContact CD1-CG1 4.48Å; I430-I434 HydrophobicContact CG1-CD1 3.83Å; I430-I434 HydrophobicContact CG1-CG1 4.05Å; I430-I434 WeakPolarHBondContact O-CG1 3.36Å; I430-I434 PolarHBondContact O-N 2.92Å; I430-F455 HydrophobicContact CD1-CE1 3.96Å; I430-F455 HydrophobicContact CD1-CZ 4.42Å; I430-I473 HydrophobicContact CD1-CD1 4.29Å |
| 431 | F | 91.4 | Very high | 88.4 | Confident | 89 Ų | 89 | 50.9 Ų | 50.9 | 39% | 0.39 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -60.2 | -40.8 | -172.7 | -177.4 | -92 | 0 | 0 | 0 | 112.9 | T427 D428 I433 I434 T435 V476 | T427-F431 WeakPolarHBondContact O-CA 3.5Å; T427-F431 PolarHBondContact O-N 2.69Å; D428-F431 WeakPolarHBondContact O-CB 3.32Å; D428-F431 PolarHBondContact O-N 3.29Å; F431-I433 VanDerWaalsContact C-N 3.29Å; F431-I433 PolarHBondContact O-N 3.25Å; F431-I434 PolarHBondContact O-N 3.33Å; F431-T435 PolarHBondContact O-N 3.05Å; F431-T435 PolarHBondContact O-OG1 3.48Å; F431-V476 HydrophobicContact CD2-CG1 4.01Å; F431-V476 HydrophobicContact CE2-CG1 3.82Å |
| 432 | D | 91.5 | Very high | 89.6 | Confident | 132 Ų | 132 | 44.7 Ų | 44.7 | 71% | 0.706 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -63.2 | -38.4 | 175.8 | -54.4 | -36.4 | 0 | 0 | 0 | 111 | I430 T435 D436 | I430-D432 VanDerWaalsContact C-N 3.33Å; I430-D432 PolarHBondContact O-N 3.11Å; D432-T435 PolarHBondContact O-N 3.25Å; D432-D436 WeakPolarHBondContact O-CB 3.42Å; D432-D436 PolarHBondContact O-N 2.99Å |
| 433 | I | 92.6 | Very high | 90.1 | Very high | 40 Ų | 40 | 44.7 Ų | 44.7 | 21% | 0.205 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -69.8 | -38.5 | 177.6 | -54.9 | 173.2 | 0 | 0 | 0 | 111 | V374 I430 F431 T435 D436 M437 F455 | V374-I433 HydrophobicContact CG2-CG2 3.87Å; I430-I433 HydrophobicContact CB-CB 4.38Å; I430-I433 HydrophobicContact CB-CD1 4.25Å; I430-I433 HydrophobicContact CG2-CD1 4.35Å; I430-I433 CarbonylContact O-C 3.48Å; I430-I433 WeakPolarHBondContact O-CA 3.1Å; I430-I433 WeakPolarHBondContact O-CB 3.49Å; I430-I433 PolarHBondContact O-N 3.48Å; F431-I433 VanDerWaalsContact C-N 3.29Å; F431-I433 PolarHBondContact O-N 3.25Å; I433-T435 VanDerWaalsContact C-N 3.26Å; I433-T435 PolarHBondContact O-N 3.4Å; I433-D436 PolarHBondContact O-N 2.86Å; I433-M437 HydrophobicContact CG2-CE 4.28Å; I433-M437 WeakPolarHBondContact O-CG 3.38Å; I433-M437 PolarHBondContact O-N 3.3Å; I433-M437 VanDerWaalsContact O-N 3.1Å; I433-F455 HydrophobicContact CG2-CE1 4.02Å; I433-F455 HydrophobicContact CG2-CZ 3.99Å |
| 434 | I | 91.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.4 | -41.7 | 172.9 | -68.8 | 169.2 | 0 | 0 | 0 | 110 | I430 F431 F455 I473 V476 V477 | I430-I434 HydrophobicContact CD1-CD1 4.31Å; I430-I434 HydrophobicContact CD1-CG1 4.48Å; I430-I434 HydrophobicContact CG1-CD1 3.83Å; I430-I434 HydrophobicContact CG1-CG1 4.05Å; I430-I434 WeakPolarHBondContact O-CG1 3.36Å; I430-I434 PolarHBondContact O-N 2.92Å; F431-I434 PolarHBondContact O-N 3.33Å; I434-F455 HydrophobicContact CB-CE2 4.33Å; I434-F455 HydrophobicContact CB-CZ 4.28Å; I434-F455 HydrophobicContact CG1-CE2 3.68Å; I434-F455 HydrophobicContact CG1-CZ 3.49Å; I434-F455 VanDerWaalsContact CG1-CZ 3.49Å; I434-I473 HydrophobicContact CD1-CG2 4.16Å; I434-I473 HydrophobicContact CG1-CG2 4.2Å; I434-V476 HydrophobicContact CD1-CG1 4.49Å; I434-V476 HydrophobicContact CG2-CG1 4.26Å; I434-V477 HydrophobicContact CG2-CG2 3.5Å |
| 435 | T | 89.8 | Confident | 90.1 | Very high | 61 Ų | 61 | 53.6 Ų | 53.6 | 37% | 0.374 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -73 | -37.7 | -177.9 | -53.6 | 0 | 0 | 0 | 0 | 111.9 | F431 D432 I433 K438 Q480 | F431-T435 PolarHBondContact O-N 3.05Å; F431-T435 PolarHBondContact O-OG1 3.48Å; D432-T435 PolarHBondContact O-N 3.25Å; I433-T435 VanDerWaalsContact C-N 3.26Å; I433-T435 PolarHBondContact O-N 3.4Å; T435-K438 PolarHBondContact O-N 2.97Å; T435-Q480 PolarHBondContact OG1-NE2 3.16Å |
| 436 | D | 91.1 | Very high | 89.9 | Confident | 81 Ų | 81 | 51.1 Ų | 51.1 | 43% | 0.433 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64 | -37.7 | 174.2 | 173.4 | 68.6 | 0 | 0 | 0 | 113.5 | K372 D432 I433 K438 | K372-D436 IonicContact NZ-OD2 2.66Å; K372-D436 PolarHBondContact NZ-OD2 3.11Å; D432-D436 WeakPolarHBondContact O-CB 3.42Å; D432-D436 PolarHBondContact O-N 2.99Å; I433-D436 PolarHBondContact O-N 2.86Å; D436-K438 PolarHBondContact O-N 2.7Å |
| 437 | M | 89.3 | Confident | 89.9 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65.4 | -22.9 | 178.5 | -78.4 | -165.6 | -174.9 | 0 | 0 | 114.7 | V374 I433 D452 F455 | V374-M437 HydrophobicContact CB-CE 3.59Å; V374-M437 HydrophobicContact CG2-CE 3.2Å; I433-M437 HydrophobicContact CG2-CE 4.28Å; I433-M437 WeakPolarHBondContact O-CG 3.38Å; I433-M437 PolarHBondContact O-N 3.3Å; I433-M437 VanDerWaalsContact O-N 3.1Å; M437-D452 PolarHBondContact O-N 3.38Å; M437-F455 HydrophobicContact CE-CD1 3.85Å; M437-F455 HydrophobicContact CE-CD2 4.01Å; M437-F455 HydrophobicContact CE-CE1 3.71Å; M437-F455 HydrophobicContact CE-CE2 3.89Å; M437-F455 HydrophobicContact CE-CG 4Å; M437-F455 HydrophobicContact CE-CZ 3.72Å; M437-F455 HydrophobicContact CG-CE2 4.33Å; M437-F455 HydrophobicContact SD-CD1 4.38Å; M437-F455 HydrophobicContact SD-CD2 3.45Å; M437-F455 WeakPolarHBondContact SD-CD2 3.46Å; M437-F455 HydrophobicContact SD-CE1 4.23Å; M437-F455 HydrophobicContact SD-CE2 3.27Å; M437-F455 WeakPolarHBondContact SD-CE2 3.46Å; M437-F455 HydrophobicContact SD-CG 4.03Å; M437-F455 HydrophobicContact SD-CZ 3.69Å |
| 438 | K | 91.5 | Very high | 89.9 | Confident | 87 Ų | 87 | 57.4 Ų | 57.4 | 38% | 0.378 | 32% | 0.322 | S | S | . | . | trans | 54.4 | -154.4 | -174.1 | -52.2 | 164.1 | -162.6 | 163.9 | 0 | 111.5 | T435 D436 D452 | T435-K438 PolarHBondContact O-N 2.97Å; D436-K438 PolarHBondContact O-N 2.7Å; K438-D452 WeakPolarHBondContact CD-OD2 3.33Å; K438-D452 WeakPolarHBondContact CE-OD2 3.44Å; K438-D452 IonicContact NZ-OD2 3.81Å; K438-D452 PolarHBondContact NZ-OD2 2.94Å | ||
| 439 | W | 94.6 | Very high | 90 | Very high | 6 Ų | 6 | 54.7 Ų | 54.7 | 2% | 0.023 | 31% | 0.31 | C | S | . | . | trans | -155.2 | 161.3 | 176.6 | 54.1 | 84.4 | 0 | 0 | 0 | 108.6 | F324 C449 K450 V477 Q480 Q481 K484 | F324-W439 HydrophobicContact CB-CB 4.46Å; W439-C449 PolarHBondContact O-SG 3.33Å; W439-C449 VanDerWaalsContact O-SG 3.33Å; W439-K450 CarbonylContact O-C 3.57Å; W439-K450 VanDerWaalsContact O-C 3.31Å; W439-V477 HydrophobicContact CB-CG1 4.48Å; W439-V477 HydrophobicContact CD2-CG1 4.45Å; W439-V477 HydrophobicContact CE3-CG1 3.93Å; W439-Q480 HydrophobicContact CH2-CB 3.85Å; W439-Q480 HydrophobicContact CZ3-CB 3.99Å; W439-Q481 HydrophobicContact CD2-CG 3.72Å; W439-Q481 HydrophobicContact CE3-CG 4.17Å; W439-Q481 HydrophobicContact CG-CG 4.1Å; W439-Q481 HydrophobicContact CH2-CG 4.12Å; W439-Q481 HydrophobicContact CZ2-CB 4.4Å; W439-Q481 HydrophobicContact CZ2-CG 3.7Å; W439-Q481 HydrophobicContact CZ3-CG 4.36Å; W439-K484 HydrophobicContact CH2-CD 3.89Å; W439-K484 HydrophobicContact CZ2-CD 3.75Å; W439-K484 HydrophobicContact CZ2-CG 4.46Å | ||
| 440 | A | 94.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 134.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110 | Q189 L322 S323 C449 | Q189-A440 HydrophobicContact CB-CB 3.93Å; Q189-A440 HydrophobicContact CG-CB 4.48Å; L322-A440 CarbonylContact C-O 3.47Å; L322-A440 VanDerWaalsContact CA-O 3.25Å; L322-A440 WeakPolarHBondContact CA-O 3.16Å; S323-A440 PolarHBondContact N-O 2.98Å; S323-A440 PolarHBondContact O-N 2.85Å; A440-C449 CarbonylContact C-O 3.56Å; A440-C449 WeakPolarHBondContact CA-O 3.45Å |
| 441 | W | 94.2 | Very high | 90.3 | Very high | 52 Ų | 52 | 56 Ų | 56 | 20% | 0.197 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 120 | 173.4 | -173.1 | -1.5 | 0 | 0 | 0 | 107.9 | H320 L322 I448 C449 L485 | H320-W441 AromaticContact CG-NE1 3.5Å; H320-W441 AromaticContact ND1-NE1 3.3Å; H320-W441 PolarHBondContact ND1-NE1 2.69Å; L322-W441 HydrophobicContact CD1-CD2 4.47Å; L322-W441 HydrophobicContact CD1-CG 4.01Å; L322-W441 HydrophobicContact CD2-CG 4.46Å; L322-W441 HydrophobicContact CG-CB 4.21Å; L322-W441 HydrophobicContact CG-CD2 4.37Å; L322-W441 HydrophobicContact CG-CG 3.84Å; W441-I448 HydrophobicContact CB-CB 4.3Å; W441-I448 HydrophobicContact CD2-CB 4.34Å; W441-I448 HydrophobicContact CD2-CD1 4.12Å; W441-I448 HydrophobicContact CD2-CG2 4.16Å; W441-I448 HydrophobicContact CE3-CG2 4.04Å; W441-I448 HydrophobicContact CG-CB 4.18Å; W441-I448 HydrophobicContact CG-CD1 4.15Å; W441-I448 HydrophobicContact CG-CG2 4.49Å; W441-I448 HydrophobicContact CZ2-CD1 4.4Å; W441-I448 PolarHBondContact O-N 3Å; W441-C449 HydrophobicContact CB-CB 3.85Å; W441-C449 PolarHBondContact N-O 3.45Å; W441-C449 PolarHBondContact O-N 3.24Å; W441-C449 VanDerWaalsContact O-N 3.14Å; W441-L485 HydrophobicContact CH2-CD2 4.47Å; W441-L485 HydrophobicContact CZ2-CD2 3.73Å |
| 442 | V | 91.3 | Very high | 90.3 | Very high | 26 Ų | 26 | 54.7 Ų | 54.7 | 16% | 0.158 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 146.2 | -179.5 | -173.5 | 0 | 0 | 0 | 0 | 108.7 | V188 T321 G446 V447 | V188-V442 HydrophobicContact CG1-CB 4.3Å; V188-V442 HydrophobicContact CG1-CG2 3.71Å; T321-V442 PolarHBondContact N-O 3.32Å; T321-V442 PolarHBondContact O-N 3.13Å; V442-G446 CarbonylContact C-O 3.58Å; V442-G446 WeakPolarHBondContact CA-O 3.48Å; V442-G446 WeakPolarHBondContact CG1-O 3.5Å; V442-V447 HydrophobicContact CG2-CG2 4.18Å |
| 443 | D | 88.8 | Confident | 90.4 | Very high | 47 Ų | 47 | 48.5 Ų | 48.5 | 25% | 0.251 | 27% | 0.268 | S | S | . | . | trans | -134.1 | -159 | 172.7 | 79.2 | -12 | 0 | 0 | 0 | 111.5 | H320 A445 G446 I448 | H320-D443 WeakPolarHBondContact ND1-CB 3.45Å; D443-A445 WeakPolarHBondContact OD1-CA 3.42Å; D443-A445 WeakPolarHBondContact OD1-CB 3.43Å; D443-A445 PolarHBondContact OD1-N 3.39Å; D443-G446 PolarHBondContact N-O 2.93Å; D443-G446 PolarHBondContact OD1-N 2.85Å; D443-I448 HydrophobicContact CB-CD1 3.83Å | ||
| 444 | Q | 81.4 | Confident | 90.6 | Very high | 165 Ų | 165 | 46.6 Ų | 46.6 | 77% | 0.771 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -74.9 | -24.4 | 177.7 | -68.6 | 176.2 | 5 | 0 | 0 | 113.5 | ||
| 445 | A | 81.5 | Confident | 90.8 | Very high | 97 Ų | 97 | 46.6 Ų | 46.6 | 80% | 0.802 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -85.4 | -36.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112 | D443 | D443-A445 WeakPolarHBondContact OD1-CA 3.42Å; D443-A445 WeakPolarHBondContact OD1-CB 3.43Å; D443-A445 PolarHBondContact OD1-N 3.39Å |
| 446 | G | 82.4 | Confident | 91.1 | Very high | 31 Ų | 31 | 43.7 Ų | 43.7 | 32% | 0.32 | 24% | 0.241 | S | C | . | . | trans | 163.6 | -149.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | V442 D443 | V442-G446 CarbonylContact C-O 3.58Å; V442-G446 WeakPolarHBondContact CA-O 3.48Å; V442-G446 WeakPolarHBondContact CG1-O 3.5Å; D443-G446 PolarHBondContact N-O 2.93Å; D443-G446 PolarHBondContact OD1-N 2.85Å | ||
| 447 | V | 88 | Confident | 91.2 | Very high | 51 Ų | 51 | 39.9 Ų | 39.9 | 31% | 0.309 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 109.7 | 175.8 | -175.3 | 0 | 0 | 0 | 0 | 109 | V442 C449 K450 | V442-V447 HydrophobicContact CG2-CG2 4.18Å; V447-C449 VanDerWaalsContact CG1-O 3.32Å; V447-C449 WeakPolarHBondContact CG1-O 3.37Å; V447-K450 HydrophobicContact CG1-CG 3.83Å |
| 448 | I | 90.8 | Very high | 91.3 | Very high | 85 Ų | 85 | 39.9 Ų | 39.9 | 44% | 0.436 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | -41.9 | 176.3 | -62.5 | 165.7 | 0 | 0 | 0 | 110.6 | W441 D443 | W441-I448 HydrophobicContact CB-CB 4.3Å; W441-I448 HydrophobicContact CD2-CB 4.34Å; W441-I448 HydrophobicContact CD2-CD1 4.12Å; W441-I448 HydrophobicContact CD2-CG2 4.16Å; W441-I448 HydrophobicContact CE3-CG2 4.04Å; W441-I448 HydrophobicContact CG-CB 4.18Å; W441-I448 HydrophobicContact CG-CD1 4.15Å; W441-I448 HydrophobicContact CG-CG2 4.49Å; W441-I448 HydrophobicContact CZ2-CD1 4.4Å; W441-I448 PolarHBondContact O-N 3Å; D443-I448 HydrophobicContact CB-CD1 3.83Å |
| 449 | C | 91.6 | Very high | 90.8 | Very high | 34 Ų | 34 | 36.3 Ų | 36.3 | 23% | 0.23 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 151.1 | -175.4 | -172.6 | 0 | 0 | 0 | 0 | 110.1 | W439 A440 W441 V447 | W439-C449 PolarHBondContact O-SG 3.33Å; W439-C449 VanDerWaalsContact O-SG 3.33Å; A440-C449 CarbonylContact C-O 3.56Å; A440-C449 WeakPolarHBondContact CA-O 3.45Å; W441-C449 HydrophobicContact CB-CB 3.85Å; W441-C449 PolarHBondContact N-O 3.45Å; W441-C449 PolarHBondContact O-N 3.24Å; W441-C449 VanDerWaalsContact O-N 3.14Å; V447-C449 VanDerWaalsContact CG1-O 3.32Å; V447-C449 WeakPolarHBondContact CG1-O 3.37Å |
| 450 | K | 92.8 | Very high | 89.8 | Confident | 79 Ų | 79 | 36.3 Ų | 36.3 | 34% | 0.343 | 21% | 0.207 | S | C | . | . | trans | -114.3 | 155.7 | 171 | -66.1 | -171.9 | -179 | -168.8 | 0 | 110.2 | Q189 D193 W439 V447 | Q189-K450 HydrophobicContact CG-CG 4.48Å; D193-K450 WeakPolarHBondContact OD1-CE 3.25Å; D193-K450 IonicContact OD1-NZ 3.73Å; D193-K450 PolarHBondContact OD1-NZ 3Å; D193-K450 IonicContact OD2-NZ 2.6Å; D193-K450 PolarHBondContact OD2-NZ 3.36Å; W439-K450 CarbonylContact O-C 3.57Å; W439-K450 VanDerWaalsContact O-C 3.31Å; V447-K450 HydrophobicContact CG1-CG 3.83Å | ||
| 451 | Q | 94.7 | Very high | 88.3 | Confident | 12 Ų | 12 | 37.3 Ų | 37.3 | 6% | 0.056 | 21% | 0.212 | C | C | . | . | trans | -81.6 | 121.3 | 164 | -170.8 | 176.5 | -22.2 | 0 | 0 | 108 | Q189 V325 G453 | Q189-Q451 PolarHBondContact NE2-O 2.89Å; V325-Q451 PolarHBondContact O-NE2 2.82Å; Q451-G453 VanDerWaalsContact CG-O 3.26Å; Q451-G453 WeakPolarHBondContact CG-O 3.49Å; Q451-G453 PolarHBondContact NE2-O 3.07Å | ||
| 452 | D | 92.1 | Very high | 86.6 | Confident | 63 Ų | 63 | 35.3 Ų | 35.3 | 34% | 0.337 | 21% | 0.206 | S | C | . | . | trans | -99.1 | -1.4 | -171.9 | -66.8 | -26.6 | 0 | 0 | 0 | 113.1 | K372 M437 K438 | K372-D452 WeakPolarHBondContact CB-O 3.49Å; M437-D452 PolarHBondContact O-N 3.38Å; K438-D452 WeakPolarHBondContact CD-OD2 3.33Å; K438-D452 WeakPolarHBondContact CE-OD2 3.44Å; K438-D452 IonicContact NZ-OD2 3.81Å; K438-D452 PolarHBondContact NZ-OD2 2.94Å | ||
| 453 | G | 93.7 | Very high | 85.5 | Confident | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | trans | -164.4 | 165.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | K372 Q451 | K372-G453 CarbonylContact O-C 3.59Å; K372-G453 WeakPolarHBondContact O-CA 3.28Å; Q451-G453 VanDerWaalsContact CG-O 3.26Å; Q451-G453 WeakPolarHBondContact CG-O 3.49Å; Q451-G453 PolarHBondContact NE2-O 3.07Å | ||
| 454 | I | 95.8 | Very high | 84.8 | Confident | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 139 | -176 | -165 | 154.9 | 0 | 0 | 0 | 114.1 | V325 T327 Y370 K372 Q373 V374 | V325-I454 HydrophobicContact CB-CD1 4.13Å; V325-I454 HydrophobicContact CG1-CD1 3.86Å; V325-I454 WeakPolarHBondContact O-CG1 3.46Å; T327-I454 HydrophobicContact CG2-CD1 3.64Å; T327-I454 HydrophobicContact CG2-CG1 4.4Å; Y370-I454 VanDerWaalsContact CB-CG2 3.48Å; Y370-I454 HydrophobicContact CD1-CB 4.34Å; Y370-I454 HydrophobicContact CD1-CD1 3.58Å; Y370-I454 HydrophobicContact CD1-CG2 4.28Å; Y370-I454 HydrophobicContact CD2-CG2 4.01Å; Y370-I454 HydrophobicContact CE1-CD1 3.66Å; Y370-I454 HydrophobicContact CG-CB 4.2Å; Y370-I454 HydrophobicContact CG-CD1 4.08Å; Y370-I454 HydrophobicContact CG-CG2 3.68Å; K372-I454 PolarHBondContact O-N 3.39Å; Q373-I454 WeakPolarHBondContact CA-O 3.41Å; Q373-I454 HydrophobicContact CB-CG2 4.21Å; Q373-I454 HydrophobicContact CG-CG2 4.03Å; V374-I454 PolarHBondContact N-O 2.82Å |
| 455 | F | 96.6 | Very high | 84.9 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 128.1 | 167.1 | -66.3 | -74.4 | 0 | 0 | 0 | 111 | F324 T327 V374 I376 I430 I433 I434 M437 I473 | F324-F455 HydrophobicContact CZ-CD2 4.08Å; F324-F455 HydrophobicContact CZ-CE2 4.48Å; T327-F455 PolarHBondContact N-O 3.31Å; T327-F455 PolarHBondContact OG1-O 2.75Å; V374-F455 HydrophobicContact CB-CD1 3.86Å; V374-F455 HydrophobicContact CB-CE1 4.02Å; V374-F455 HydrophobicContact CG1-CD1 3.97Å; V374-F455 HydrophobicContact CG1-CE1 3.95Å; V374-F455 HydrophobicContact CG2-CE1 4.49Å; V374-F455 WeakPolarHBondContact O-CA 3.22Å; I376-F455 HydrophobicContact CD1-CD1 3.72Å; I376-F455 HydrophobicContact CD1-CE1 4.37Å; I376-F455 HydrophobicContact CD1-CG 4.39Å; I376-F455 HydrophobicContact CG1-CD1 4.28Å; I430-F455 HydrophobicContact CD1-CE1 3.96Å; I430-F455 HydrophobicContact CD1-CZ 4.42Å; I433-F455 HydrophobicContact CG2-CE1 4.02Å; I433-F455 HydrophobicContact CG2-CZ 3.99Å; I434-F455 HydrophobicContact CB-CE2 4.33Å; I434-F455 HydrophobicContact CB-CZ 4.28Å; I434-F455 HydrophobicContact CG1-CE2 3.68Å; I434-F455 HydrophobicContact CG1-CZ 3.49Å; I434-F455 VanDerWaalsContact CG1-CZ 3.49Å; M437-F455 HydrophobicContact CE-CD1 3.85Å; M437-F455 HydrophobicContact CE-CD2 4.01Å; M437-F455 HydrophobicContact CE-CE1 3.71Å; M437-F455 HydrophobicContact CE-CE2 3.89Å; M437-F455 HydrophobicContact CE-CG 4Å; M437-F455 HydrophobicContact CE-CZ 3.72Å; M437-F455 HydrophobicContact CG-CE2 4.33Å; M437-F455 HydrophobicContact SD-CD1 4.38Å; M437-F455 HydrophobicContact SD-CD2 3.45Å; M437-F455 WeakPolarHBondContact SD-CD2 3.46Å; M437-F455 HydrophobicContact SD-CE1 4.23Å; M437-F455 HydrophobicContact SD-CE2 3.27Å; M437-F455 WeakPolarHBondContact SD-CE2 3.46Å; M437-F455 HydrophobicContact SD-CG 4.03Å; M437-F455 HydrophobicContact SD-CZ 3.69Å; F455-I473 HydrophobicContact CB-CD1 4.43Å; F455-I473 HydrophobicContact CD2-CG2 3.77Å; F455-I473 HydrophobicContact CE2-CG2 3.94Å; F455-I473 HydrophobicContact CG-CD1 4.25Å; F455-I473 HydrophobicContact CG-CG2 4.48Å |
| 456 | R | 95.7 | Very high | 85.3 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 96.7 | 178.3 | -172 | -119.4 | -177.6 | 87 | -2.8 | 109.8 | T327 H362 Q373 V374 I375 I376 N458 | T327-R456 WeakPolarHBondContact O-CA 3.23Å; T327-R456 WeakPolarHBondContact OG1-CA 3.45Å; T327-R456 WeakPolarHBondContact OG1-CB 3.36Å; T327-R456 WeakPolarHBondContact OG1-CG 3.3Å; H362-R456 PolarHBondContact NE2-NH1 3.44Å; H362-R456 PolarHBondContact NE2-NH2 2.84Å; Q373-R456 VanDerWaalsContact CD-CB 3.5Å; Q373-R456 HydrophobicContact CG-CB 3.7Å; Q373-R456 VanDerWaalsContact OE1-CG 3.3Å; V374-R456 PolarHBondContact O-N 3.19Å; I375-R456 WeakPolarHBondContact CA-O 3.47Å; I376-R456 PolarHBondContact N-O 3.43Å; R456-N458 VanDerWaalsContact CD-OD1 3.28Å; R456-N458 WeakPolarHBondContact CD-OD1 3.37Å; R456-N458 PolarHBondContact NE-OD1 2.86Å; R456-N458 PolarHBondContact O-N 3Å |
| 457 | V | 94.1 | Very high | 85.7 | Confident | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 109.3 | -171.6 | -169.2 | 0 | 0 | 0 | 0 | 110.2 | T327 R328 I376 L378 T466 V469 Q470 | T327-V457 PolarHBondContact O-N 3.45Å; R328-V457 WeakPolarHBondContact CB-O 3.19Å; I376-V457 HydrophobicContact CB-CG2 4.47Å; I376-V457 HydrophobicContact CD1-CG2 4.49Å; L378-V457 HydrophobicContact CD1-CG1 3.66Å; L378-V457 HydrophobicContact CG-CG1 4.14Å; V457-T466 HydrophobicContact CG1-CG2 4.07Å; V457-V469 HydrophobicContact CG1-CB 4.16Å; V457-V469 HydrophobicContact CG1-CG1 4.07Å; V457-V469 HydrophobicContact CG2-CG1 4.36Å; V457-Q470 HydrophobicContact CB-CG 4.09Å; V457-Q470 HydrophobicContact CG2-CG 3.67Å |
| 458 | N | 90.1 | Very high | 85.7 | Confident | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 148.9 | -178.6 | -81.9 | 16.3 | 0 | 0 | 0 | 111.7 | I376 L378 Y392 R456 | I376-N458 PolarHBondContact O-N 3.39Å; L378-N458 WeakPolarHBondContact CB-O 3.15Å; L378-N458 PolarHBondContact N-O 3.41Å; Y392-N458 HydrophobicContact CE1-CB 4.19Å; Y392-N458 WeakPolarHBondContact CE1-ND2 3.08Å; Y392-N458 PolarHBondContact OH-ND2 3.14Å; R456-N458 VanDerWaalsContact CD-OD1 3.28Å; R456-N458 WeakPolarHBondContact CD-OD1 3.37Å; R456-N458 PolarHBondContact NE-OD1 2.86Å; R456-N458 PolarHBondContact O-N 3Å |
| 459 | C | 82.8 | Confident | 85.7 | Confident | 13 Ų | 13 | 15.7 Ų | 15.7 | 9% | 0.088 | 8% | 0.083 | C | C | . | . | trans | -156.2 | 144.7 | 176.7 | 179.9 | 0 | 0 | 0 | 0 | 109.3 | L378 D461 R465 T466 | L378-C459 HydrophobicContact CB-CB 4.4Å; C459-D461 VanDerWaalsContact C-N 3.33Å; C459-D461 PolarHBondContact O-N 3.32Å; C459-D461 PolarHBondContact SG-O 3.11Å; C459-R465 PolarHBondContact SG-NE 2.87Å; C459-T466 HydrophobicContact CB-CG2 3.37Å | ||
| 460 | M | 73.3 | Confident | 85.9 | Confident | 6 Ų | 6 | 14 Ų | 14 | 3% | 0.03 | 7% | 0.072 | C | C | . | . | S | Bend | trans | -66.2 | -36.9 | 178.9 | -163.5 | -140.3 | -178 | 0 | 0 | 112.3 | R297 W335 P346 V379 E385 I388 | R297-M460 PolarHBondContact NH1-O 2.81Å; W335-M460 HydrophobicContact CH2-CE 4.28Å; W335-M460 HydrophobicContact CH2-CG 3.84Å; W335-M460 HydrophobicContact CZ3-CE 3.83Å; W335-M460 HydrophobicContact CZ3-CG 4.31Å; P346-M460 HydrophobicContact CB-CE 3.45Å; P346-M460 VanDerWaalsContact CB-CE 3.45Å; P346-M460 HydrophobicContact CG-CE 3.42Å; P346-M460 VanDerWaalsContact CG-CE 3.42Å; V379-M460 HydrophobicContact CG2-CB 4.21Å; E385-M460 HydrophobicContact CB-CB 3.99Å; E385-M460 HydrophobicContact CB-CG 4.15Å; E385-M460 HydrophobicContact CB-SD 3.71Å; E385-M460 HydrophobicContact CG-CB 4.1Å; E385-M460 HydrophobicContact CG-CG 4.33Å; E385-M460 HydrophobicContact CG-SD 3.5Å; E385-M460 WeakPolarHBondContact CG-SD 3.29Å; I388-M460 HydrophobicContact CG1-CE 4.22Å; I388-M460 HydrophobicContact CG1-CG 4.48Å |
| 461 | D | 63.4 | Low | 85.9 | Confident | 20 Ų | 20 | 10.9 Ų | 10.9 | 11% | 0.107 | 6% | 0.061 | C | C | . | . | S | Bend | trans | -125.8 | 157.7 | -173 | -113 | -18.9 | 0 | 0 | 0 | 113.7 | R293 R297 C459 L463 | R293-D461 IonicContact CZ-OD1 3.81Å; R293-D461 VanDerWaalsContact CZ-OD1 3.26Å; R293-D461 IonicContact CZ-OD2 2.77Å; R293-D461 IonicContact NE-OD1 3.55Å; R293-D461 PolarHBondContact NE-OD1 3.17Å; R293-D461 IonicContact NH2-OD1 3.32Å; R293-D461 PolarHBondContact NH2-OD1 3.32Å; R293-D461 IonicContact NH2-OD2 3.55Å; R293-D461 PolarHBondContact NH2-OD2 3.05Å; R297-D461 IonicContact CZ-OD1 2.87Å; R297-D461 IonicContact NH2-OD1 2.86Å; R297-D461 PolarHBondContact NH2-OD1 3.4Å; C459-D461 VanDerWaalsContact C-N 3.33Å; C459-D461 PolarHBondContact O-N 3.32Å; C459-D461 PolarHBondContact SG-O 3.11Å; D461-L463 PolarHBondContact O-N 2.94Å |
| 462 | C | 58.8 | Low | 85.8 | Confident | 10 Ų | 10 | 11.2 Ų | 11.2 | 7% | 0.068 | 7% | 0.066 | C | C | . | . | trans | -37 | 116.5 | -164.3 | 49.9 | 0 | 0 | 0 | 0 | 115.6 | D464 Y517 R548 | C462-D464 VanDerWaalsContact O-CG 3.27Å; C462-D464 PolarHBondContact O-N 3.09Å; C462-Y517 HydrophobicContact CB-CD1 4.03Å; C462-Y517 HydrophobicContact CB-CE1 3.92Å; C462-R548 PolarHBondContact SG-NH1 3.04Å | ||
| 463 | L | 66.9 | Low | 85.9 | Confident | 19 Ų | 19 | 8.2 Ų | 8.2 | 10% | 0.099 | 5% | 0.05 | C | C | . | . | S | Bend | trans | 47.2 | -53.8 | 146.7 | -163.5 | 71.4 | 0 | 0 | 0 | 119.7 | D461 R465 T466 N467 G510 I513 S514 | D461-L463 PolarHBondContact O-N 2.94Å; L463-R465 CarbonylContact O-C 3.58Å; L463-R465 PolarHBondContact O-N 2.92Å; L463-R465 VanDerWaalsContact O-N 3.1Å; L463-T466 WeakPolarHBondContact O-CA 3.22Å; L463-T466 PolarHBondContact O-N 3.37Å; L463-T466 PolarHBondContact O-OG1 3.44Å; L463-N467 HydrophobicContact CG-CB 4.48Å; L463-N467 PolarHBondContact O-N 2.84Å; L463-G510 WeakPolarHBondContact CD2-O 3.45Å; L463-I513 HydrophobicContact CD1-CB 4.34Å; L463-I513 HydrophobicContact CD1-CG2 3.76Å; L463-I513 HydrophobicContact CD2-CB 3.76Å; L463-I513 HydrophobicContact CD2-CG2 3.86Å; L463-I513 HydrophobicContact CG-CG2 4.49Å; L463-S514 VanDerWaalsContact CD2-N 3.32Å |
| 464 | D | 74.1 | Confident | 86 | Confident | 25 Ų | 25 | 8.2 Ų | 8.2 | 13% | 0.134 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -45.8 | -44.3 | -171.2 | -42.7 | -40.4 | 0 | 0 | 0 | 112.2 | C462 V468 A522 L523 R548 | C462-D464 VanDerWaalsContact O-CG 3.27Å; C462-D464 PolarHBondContact O-N 3.09Å; D464-V468 WeakPolarHBondContact O-CG2 3.34Å; D464-A522 WeakPolarHBondContact OD1-CB 3.49Å; D464-L523 WeakPolarHBondContact CB-O 3.49Å; D464-L523 VanDerWaalsContact CG-O 3.3Å; D464-L523 PolarHBondContact OD1-N 3.44Å; D464-L523 WeakPolarHBondContact OD2-CB 3.3Å; D464-R548 IonicContact OD1-NH2 3.6Å; D464-R548 IonicContact OD2-NH1 2.85Å |
| 465 | R | 84.7 | Confident | 85.9 | Confident | 17 Ų | 17 | 10.5 Ų | 10.5 | 6% | 0.064 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -67 | -51.3 | 173.4 | -82.1 | -174.4 | -85.8 | 173.8 | -7.3 | 113 | L378 E385 F411 H412 C459 L463 N467 V468 V469 | L378-R465 HydrophobicContact CD1-CB 4.01Å; L378-R465 PolarHBondContact O-NH1 3.19Å; E385-R465 IonicContact OE1-CZ 2.88Å; E385-R465 IonicContact OE1-NH1 2.81Å; E385-R465 IonicContact OE1-NH2 3.16Å; E385-R465 PolarHBondContact OE1-NH2 3.24Å; E385-R465 IonicContact OE2-CZ 3.78Å; E385-R465 IonicContact OE2-NH1 3.38Å; E385-R465 PolarHBondContact OE2-NH1 3.23Å; E385-R465 IonicContact OE2-NH2 3.83Å; E385-R465 PolarHBondContact OE2-NH2 3.02Å; F411-R465 HydrophobicContact CD1-CG 3.56Å; F411-R465 HydrophobicContact CD2-CB 4.47Å; F411-R465 HydrophobicContact CD2-CG 4.21Å; F411-R465 HydrophobicContact CE1-CG 3.7Å; F411-R465 HydrophobicContact CE2-CB 4.46Å; F411-R465 HydrophobicContact CE2-CG 4.3Å; F411-R465 HydrophobicContact CG-CG 3.85Å; F411-R465 HydrophobicContact CZ-CG 4.05Å; H412-R465 VanDerWaalsContact CE1-CZ 3.42Å; H412-R465 PolarHBondContact CE1-NH1 3.07Å; C459-R465 PolarHBondContact SG-NE 2.87Å; L463-R465 CarbonylContact O-C 3.58Å; L463-R465 PolarHBondContact O-N 2.92Å; L463-R465 VanDerWaalsContact O-N 3.1Å; R465-N467 VanDerWaalsContact C-N 3.29Å; R465-N467 PolarHBondContact O-N 3.28Å; R465-V468 PolarHBondContact O-N 2.91Å; R465-V469 PolarHBondContact O-N 3.2Å |
| 466 | T | 89.6 | Confident | 85.7 | Confident | 8 Ų | 8 | 11 Ų | 11 | 5% | 0.049 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -62.5 | -35.6 | -177.6 | 63.8 | 0 | 0 | 0 | 0 | 112.5 | L378 V457 C459 L463 V469 Q470 | L378-T466 HydrophobicContact CD1-CG2 4.41Å; V457-T466 HydrophobicContact CG1-CG2 4.07Å; C459-T466 HydrophobicContact CB-CG2 3.37Å; L463-T466 WeakPolarHBondContact O-CA 3.22Å; L463-T466 PolarHBondContact O-N 3.37Å; L463-T466 PolarHBondContact O-OG1 3.44Å; T466-V469 PolarHBondContact O-N 2.98Å; T466-Q470 WeakPolarHBondContact O-CB 3.39Å; T466-Q470 VanDerWaalsContact O-CG 3.31Å; T466-Q470 WeakPolarHBondContact O-CG 3.45Å; T466-Q470 PolarHBondContact O-N 3.37Å |
| 467 | N | 90.9 | Very high | 85.7 | Confident | 4 Ų | 4 | 11 Ų | 11 | 2% | 0.021 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -71.6 | -37.2 | -176.6 | -161.4 | 81.4 | 0 | 0 | 0 | 111.9 | R328 L463 R465 A471 W506 | R328-N467 PolarHBondContact NH1-OD1 2.9Å; L463-N467 HydrophobicContact CG-CB 4.48Å; L463-N467 PolarHBondContact O-N 2.84Å; R465-N467 VanDerWaalsContact C-N 3.29Å; R465-N467 PolarHBondContact O-N 3.28Å; N467-A471 WeakPolarHBondContact O-CB 3.36Å; N467-A471 PolarHBondContact O-N 2.96Å; N467-W506 PolarHBondContact ND2-O 3Å |
| 468 | V | 87.6 | Confident | 85.7 | Confident | 17 Ų | 17 | 11 Ų | 11 | 10% | 0.103 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -64 | -44.9 | 172.9 | 172.1 | 0 | 0 | 0 | 0 | 111 | F420 V423 D464 R465 A471 A472 F527 | F420-V468 HydrophobicContact CD1-CG1 4.5Å; V423-V468 HydrophobicContact CG2-CG1 4.17Å; D464-V468 WeakPolarHBondContact O-CG2 3.34Å; R465-V468 PolarHBondContact O-N 2.91Å; V468-A471 PolarHBondContact O-N 3.5Å; V468-A472 PolarHBondContact O-N 2.88Å; V468-F527 HydrophobicContact CG1-CE1 4.24Å; V468-F527 HydrophobicContact CG2-CD1 4.25Å; V468-F527 HydrophobicContact CG2-CE1 4.26Å |
| 469 | V | 91.5 | Very high | 85.8 | Confident | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -68.4 | -43.7 | 179.5 | 174.6 | 0 | 0 | 0 | 0 | 111.8 | I376 L378 F411 V423 L426 V457 R465 T466 A471 A472 I473 | I376-V469 HydrophobicContact CG2-CG1 4.4Å; L378-V469 HydrophobicContact CD1-CB 4.13Å; L378-V469 HydrophobicContact CD1-CG2 3.66Å; L378-V469 HydrophobicContact CD2-CG2 3.98Å; L378-V469 HydrophobicContact CG-CG2 4.49Å; F411-V469 HydrophobicContact CD2-CG2 4.25Å; F411-V469 HydrophobicContact CE2-CG2 3.99Å; V423-V469 HydrophobicContact CG1-CG2 4.14Å; L426-V469 HydrophobicContact CD2-CG1 3.87Å; L426-V469 HydrophobicContact CD2-CG2 4.33Å; V457-V469 HydrophobicContact CG1-CB 4.16Å; V457-V469 HydrophobicContact CG1-CG1 4.07Å; V457-V469 HydrophobicContact CG2-CG1 4.36Å; R465-V469 PolarHBondContact O-N 3.2Å; T466-V469 PolarHBondContact O-N 2.98Å; V469-A471 VanDerWaalsContact C-N 3.32Å; V469-A471 PolarHBondContact O-N 3.07Å; V469-A472 PolarHBondContact O-N 3.34Å; V469-I473 HydrophobicContact CG1-CD1 3.94Å; V469-I473 WeakPolarHBondContact O-CG1 3.28Å; V469-I473 PolarHBondContact O-N 3.5Å |
| 470 | Q | 94.5 | Very high | 86.2 | Confident | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -61.4 | -39.8 | 175 | -74.5 | -176.8 | -38.8 | 0 | 0 | 112.2 | Q326 T327 R328 V457 T466 A474 W506 | Q326-Q470 HydrophobicContact CB-CG 4.49Å; Q326-Q470 PolarHBondContact NE2-O 3.41Å; T327-Q470 PolarHBondContact O-NE2 3.29Å; T327-Q470 VanDerWaalsContact O-NE2 3.11Å; R328-Q470 VanDerWaalsContact CD-OE1 3.25Å; R328-Q470 VanDerWaalsContact CZ-OE1 3.24Å; V457-Q470 HydrophobicContact CB-CG 4.09Å; V457-Q470 HydrophobicContact CG2-CG 3.67Å; T466-Q470 WeakPolarHBondContact O-CB 3.39Å; T466-Q470 VanDerWaalsContact O-CG 3.31Å; T466-Q470 WeakPolarHBondContact O-CG 3.45Å; T466-Q470 PolarHBondContact O-N 3.37Å; Q470-A474 WeakPolarHBondContact O-CB 3.4Å; Q470-A474 PolarHBondContact O-N 3.42Å; Q470-W506 HydrophobicContact CB-CH2 3.83Å; Q470-W506 HydrophobicContact CB-CZ3 3.69Å |
| 471 | A | 93.9 | Very high | 87.2 | Confident | 13 Ų | 13 | 13 Ų | 13 | 11% | 0.107 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -66.7 | -33.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | N467 V468 V469 R475 Y502 W506 | N467-A471 WeakPolarHBondContact O-CB 3.36Å; N467-A471 PolarHBondContact O-N 2.96Å; V468-A471 PolarHBondContact O-N 3.5Å; V469-A471 VanDerWaalsContact C-N 3.32Å; V469-A471 PolarHBondContact O-N 3.07Å; A471-R475 WeakPolarHBondContact O-CB 3.4Å; A471-R475 PolarHBondContact O-N 2.9Å; A471-Y502 PolarHBondContact O-OH 3.49Å; A471-W506 HydrophobicContact CB-CB 3.96Å; A471-W506 HydrophobicContact CB-CD2 3.51Å; A471-W506 HydrophobicContact CB-CE3 3.77Å; A471-W506 HydrophobicContact CB-CG 3.59Å; A471-W506 HydrophobicContact CB-CZ3 4.44Å |
| 472 | A | 92 | Very high | 88.6 | Confident | 19 Ų | 19 | 12 Ų | 12 | 16% | 0.157 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -68.9 | -46.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | V423 T427 V468 V469 R475 V476 | V423-A472 HydrophobicContact CG1-CB 3.75Å; T427-A472 HydrophobicContact CG2-CB 3.97Å; V468-A472 PolarHBondContact O-N 2.88Å; V469-A472 PolarHBondContact O-N 3.34Å; A472-R475 WeakPolarHBondContact O-CB 3.23Å; A472-R475 PolarHBondContact O-N 3.12Å; A472-V476 PolarHBondContact O-N 2.87Å |
| 473 | I | 94.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -63 | -46.3 | 177.1 | -62.6 | 167.6 | 0 | 0 | 0 | 110.5 | F324 I376 T427 I430 I434 F455 V469 R475 V476 V477 | F324-I473 HydrophobicContact CE1-CG2 3.91Å; F324-I473 HydrophobicContact CZ-CG2 3.75Å; I376-I473 HydrophobicContact CD1-CD1 3.57Å; T427-I473 HydrophobicContact CG2-CG1 4.13Å; I430-I473 HydrophobicContact CD1-CD1 4.29Å; I434-I473 HydrophobicContact CD1-CG2 4.16Å; I434-I473 HydrophobicContact CG1-CG2 4.2Å; F455-I473 HydrophobicContact CB-CD1 4.43Å; F455-I473 HydrophobicContact CD2-CG2 3.77Å; F455-I473 HydrophobicContact CE2-CG2 3.94Å; F455-I473 HydrophobicContact CG-CD1 4.25Å; F455-I473 HydrophobicContact CG-CG2 4.48Å; V469-I473 HydrophobicContact CG1-CD1 3.94Å; V469-I473 WeakPolarHBondContact O-CG1 3.28Å; V469-I473 PolarHBondContact O-N 3.5Å; I473-R475 VanDerWaalsContact C-N 3.26Å; I473-R475 PolarHBondContact O-N 2.88Å; I473-V476 PolarHBondContact O-N 2.9Å; I473-V477 PolarHBondContact O-N 2.96Å; I473-V477 VanDerWaalsContact O-N 3.08Å |
| 474 | A | 95.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -60.3 | -31.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q313 F324 Q470 M478 Y502 W506 | Q313-A474 VanDerWaalsContact OE1-CB 3.23Å; Q313-A474 PolarHBondContact OE1-O 3Å; F324-A474 HydrophobicContact CD1-CB 4.41Å; F324-A474 HydrophobicContact CE1-CB 4.44Å; Q470-A474 WeakPolarHBondContact O-CB 3.4Å; Q470-A474 PolarHBondContact O-N 3.42Å; A474-M478 WeakPolarHBondContact O-CB 3.17Å; A474-M478 PolarHBondContact O-N 3.22Å; A474-Y502 VanDerWaalsContact C-OH 3.27Å; A474-Y502 WeakPolarHBondContact CB-OH 3.3Å; A474-W506 HydrophobicContact CB-CH2 4.32Å; A474-W506 HydrophobicContact CB-CZ2 3.52Å |
| 475 | R | 93 | Very high | 92.1 | Very high | 49 Ų | 49 | 20.8 Ų | 20.8 | 19% | 0.185 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -65.9 | -48.8 | 175.2 | -177 | -173.5 | 72.1 | 81.3 | -2.6 | 110.5 | A471 A472 I473 V477 M478 E479 Y502 | A471-R475 WeakPolarHBondContact O-CB 3.4Å; A471-R475 PolarHBondContact O-N 2.9Å; A472-R475 WeakPolarHBondContact O-CB 3.23Å; A472-R475 PolarHBondContact O-N 3.12Å; I473-R475 VanDerWaalsContact C-N 3.26Å; I473-R475 PolarHBondContact O-N 2.88Å; R475-V477 VanDerWaalsContact C-N 3.35Å; R475-V477 PolarHBondContact O-N 3.44Å; R475-M478 PolarHBondContact O-N 2.76Å; R475-E479 WeakPolarHBondContact CG-OE1 2.95Å; R475-E479 IonicContact CZ-OE1 2.66Å; R475-E479 IonicContact CZ-OE2 2.69Å; R475-E479 IonicContact NH1-OE1 3.74Å; R475-E479 PolarHBondContact NH1-OE1 3.46Å; R475-E479 IonicContact NH1-OE2 3.26Å; R475-E479 PolarHBondContact NH1-OE2 3.04Å; R475-E479 WeakPolarHBondContact O-CG 3.4Å; R475-E479 PolarHBondContact O-N 2.91Å; R475-Y502 HydrophobicContact CB-CE1 3.98Å; R475-Y502 HydrophobicContact CG-CE1 4.47Å; R475-Y502 PolarHBondContact N-OH 2.79Å |
| 476 | V | 92.2 | Very high | 92.3 | Very high | 10 Ų | 10 | 23.1 Ų | 23.1 | 6% | 0.061 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -60.2 | -45.6 | 179.6 | 176.8 | 0 | 0 | 0 | 0 | 110.7 | F431 I434 A472 I473 E479 Q480 | F431-V476 HydrophobicContact CD2-CG1 4.01Å; F431-V476 HydrophobicContact CE2-CG1 3.82Å; I434-V476 HydrophobicContact CD1-CG1 4.49Å; I434-V476 HydrophobicContact CG2-CG1 4.26Å; A472-V476 PolarHBondContact O-N 2.87Å; I473-V476 PolarHBondContact O-N 2.9Å; V476-E479 PolarHBondContact O-N 2.91Å; V476-Q480 WeakPolarHBondContact O-CG 3.31Å; V476-Q480 PolarHBondContact O-N 3.11Å; V476-Q480 VanDerWaalsContact O-N 3.08Å |
| 477 | V | 95.1 | Very high | 92.2 | Very high | 1 Ų | 1 | 23.2 Ų | 23.2 | 1% | 0.006 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -63.8 | -46.2 | 176.9 | 176.5 | 0 | 0 | 0 | 0 | 111.5 | F324 I434 W439 I473 R475 E479 Q480 Q481 | F324-V477 HydrophobicContact CB-CG1 3.91Å; F324-V477 HydrophobicContact CD1-CB 3.98Å; F324-V477 HydrophobicContact CD1-CG1 4.05Å; F324-V477 HydrophobicContact CD1-CG2 4.07Å; F324-V477 HydrophobicContact CD2-CG1 4.03Å; F324-V477 HydrophobicContact CD2-CG2 4.22Å; F324-V477 HydrophobicContact CE1-CB 4.18Å; F324-V477 HydrophobicContact CE1-CG2 3.8Å; F324-V477 HydrophobicContact CE2-CG2 3.98Å; F324-V477 HydrophobicContact CG-CB 4.17Å; F324-V477 HydrophobicContact CG-CG1 3.73Å; F324-V477 HydrophobicContact CG-CG2 4.27Å; F324-V477 HydrophobicContact CZ-CG2 3.76Å; I434-V477 HydrophobicContact CG2-CG2 3.5Å; W439-V477 HydrophobicContact CB-CG1 4.48Å; W439-V477 HydrophobicContact CD2-CG1 4.45Å; W439-V477 HydrophobicContact CE3-CG1 3.93Å; I473-V477 PolarHBondContact O-N 2.96Å; I473-V477 VanDerWaalsContact O-N 3.08Å; R475-V477 VanDerWaalsContact C-N 3.35Å; R475-V477 PolarHBondContact O-N 3.44Å; V477-E479 VanDerWaalsContact C-N 3.33Å; V477-E479 PolarHBondContact O-N 3Å; V477-Q480 PolarHBondContact O-N 3.13Å; V477-Q480 VanDerWaalsContact O-N 3.16Å; V477-Q481 HydrophobicContact CG1-CG 4.13Å; V477-Q481 WeakPolarHBondContact O-CB 3.46Å; V477-Q481 VanDerWaalsContact O-CG 3.25Å; V477-Q481 WeakPolarHBondContact O-CG 3.42Å; V477-Q481 PolarHBondContact O-N 3.29Å |
| 478 | M | 94 | Very high | 92.1 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -59.2 | -41.2 | 177.3 | -176.7 | 176.7 | 68.4 | 0 | 0 | 112.8 | F277 V279 Q313 I315 A474 R475 Q481 L482 L494 Y502 | F277-M478 HydrophobicContact CE2-SD 4.4Å; V279-M478 HydrophobicContact CG2-SD 4.47Å; Q313-M478 PolarHBondContact NE2-SD 3.2Å; Q313-M478 VanDerWaalsContact NE2-SD 3.37Å; I315-M478 HydrophobicContact CD1-CG 3.64Å; I315-M478 HydrophobicContact CD1-SD 3.7Å; I315-M478 HydrophobicContact CG1-CG 4.12Å; A474-M478 WeakPolarHBondContact O-CB 3.17Å; A474-M478 PolarHBondContact O-N 3.22Å; R475-M478 PolarHBondContact O-N 2.76Å; M478-Q481 PolarHBondContact O-N 3Å; M478-L482 HydrophobicContact CG-CD1 3.9Å; M478-L482 HydrophobicContact CG-CG 4.34Å; M478-L482 VanDerWaalsContact O-CG 3.29Å; M478-L482 WeakPolarHBondContact O-CG 3.5Å; M478-L482 PolarHBondContact O-N 2.89Å; M478-L494 HydrophobicContact CE-CD1 4.41Å; M478-L494 HydrophobicContact CE-CD2 3.58Å; M478-Y502 HydrophobicContact CE-CD2 3.64Å; M478-Y502 HydrophobicContact CE-CE2 3.81Å; M478-Y502 HydrophobicContact CE-CG 4.1Å; M478-Y502 HydrophobicContact SD-CD2 3.98Å; M478-Y502 HydrophobicContact SD-CE2 4.05Å |
| 479 | E | 92.3 | Very high | 92 | Very high | 29 Ų | 29 | 24.9 Ų | 24.9 | 14% | 0.136 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -67.1 | -35.6 | 177.3 | -71.7 | 172.8 | -166.9 | 0 | 0 | 111.8 | R475 V476 V477 K483 M488 L494 | R475-E479 WeakPolarHBondContact CG-OE1 2.95Å; R475-E479 IonicContact CZ-OE1 2.66Å; R475-E479 IonicContact CZ-OE2 2.69Å; R475-E479 IonicContact NH1-OE1 3.74Å; R475-E479 PolarHBondContact NH1-OE1 3.46Å; R475-E479 IonicContact NH1-OE2 3.26Å; R475-E479 PolarHBondContact NH1-OE2 3.04Å; R475-E479 WeakPolarHBondContact O-CG 3.4Å; R475-E479 PolarHBondContact O-N 2.91Å; V476-E479 PolarHBondContact O-N 2.91Å; V477-E479 VanDerWaalsContact C-N 3.33Å; V477-E479 PolarHBondContact O-N 3Å; E479-K483 WeakPolarHBondContact O-CB 3.5Å; E479-K483 WeakPolarHBondContact O-CD 3.49Å; E479-K483 VanDerWaalsContact O-CG 3.23Å; E479-K483 WeakPolarHBondContact O-CG 3.35Å; E479-K483 PolarHBondContact O-N 3.47Å; E479-M488 HydrophobicContact CB-CE 3.93Å; E479-M488 HydrophobicContact CG-CE 4.02Å; E479-L494 HydrophobicContact CG-CB 4.34Å |
| 480 | Q | 92.2 | Very high | 91.5 | Very high | 32 Ų | 32 | 30 Ų | 30 | 15% | 0.15 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -67.3 | -40.4 | 170.1 | -68.1 | -175.5 | 3 | 0 | 0 | 112.3 | T435 W439 V476 V477 K483 K484 | T435-Q480 PolarHBondContact OG1-NE2 3.16Å; W439-Q480 HydrophobicContact CH2-CB 3.85Å; W439-Q480 HydrophobicContact CZ3-CB 3.99Å; V476-Q480 WeakPolarHBondContact O-CG 3.31Å; V476-Q480 PolarHBondContact O-N 3.11Å; V476-Q480 VanDerWaalsContact O-N 3.08Å; V477-Q480 PolarHBondContact O-N 3.13Å; V477-Q480 VanDerWaalsContact O-N 3.16Å; Q480-K483 PolarHBondContact O-N 3.12Å; Q480-K484 PolarHBondContact O-N 3.08Å |
| 481 | Q | 94.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.5 | -50 | 178.4 | -74 | 175.4 | -23.2 | 0 | 0 | 111.8 | I315 L322 W439 V477 M478 K483 K484 L485 | I315-Q481 VanDerWaalsContact CG1-OE1 3.23Å; L322-Q481 HydrophobicContact CD2-CB 3.83Å; L322-Q481 HydrophobicContact CD2-CG 3.81Å; W439-Q481 HydrophobicContact CD2-CG 3.72Å; W439-Q481 HydrophobicContact CE3-CG 4.17Å; W439-Q481 HydrophobicContact CG-CG 4.1Å; W439-Q481 HydrophobicContact CH2-CG 4.12Å; W439-Q481 HydrophobicContact CZ2-CB 4.4Å; W439-Q481 HydrophobicContact CZ2-CG 3.7Å; W439-Q481 HydrophobicContact CZ3-CG 4.36Å; V477-Q481 HydrophobicContact CG1-CG 4.13Å; V477-Q481 WeakPolarHBondContact O-CB 3.46Å; V477-Q481 VanDerWaalsContact O-CG 3.25Å; V477-Q481 WeakPolarHBondContact O-CG 3.42Å; V477-Q481 PolarHBondContact O-N 3.29Å; M478-Q481 PolarHBondContact O-N 3Å; Q481-K483 VanDerWaalsContact C-N 3.32Å; Q481-K483 PolarHBondContact O-N 3.47Å; Q481-K484 PolarHBondContact O-N 3.49Å; Q481-L485 WeakPolarHBondContact O-CG 3.11Å; Q481-L485 PolarHBondContact O-N 3.08Å |
| 482 | L | 93 | Very high | 90.2 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.6 | -33.4 | -179.9 | -65.2 | 169.3 | 0 | 0 | 0 | 112.4 | F277 I315 M478 L485 G486 V487 M488 L494 | F277-L482 HydrophobicContact CB-CD2 4.27Å; F277-L482 HydrophobicContact CD1-CD2 4.09Å; F277-L482 HydrophobicContact CD2-CD1 4.43Å; F277-L482 HydrophobicContact CD2-CD2 3.66Å; F277-L482 HydrophobicContact CE1-CD1 4.19Å; F277-L482 HydrophobicContact CE1-CD2 4.3Å; F277-L482 HydrophobicContact CE2-CD1 3.75Å; F277-L482 HydrophobicContact CE2-CD2 3.84Å; F277-L482 HydrophobicContact CE2-CG 4.38Å; F277-L482 HydrophobicContact CG-CD2 3.76Å; F277-L482 HydrophobicContact CZ-CD1 3.61Å; F277-L482 HydrophobicContact CZ-CD2 4.17Å; I315-L482 HydrophobicContact CG2-CD2 3.89Å; M478-L482 HydrophobicContact CG-CD1 3.9Å; M478-L482 HydrophobicContact CG-CG 4.34Å; M478-L482 VanDerWaalsContact O-CG 3.29Å; M478-L482 WeakPolarHBondContact O-CG 3.5Å; M478-L482 PolarHBondContact O-N 2.89Å; L482-L485 PolarHBondContact O-N 2.78Å; L482-G486 PolarHBondContact O-N 3.32Å; L482-V487 HydrophobicContact CD2-CB 4.2Å; L482-V487 HydrophobicContact CD2-CG1 3.86Å; L482-V487 PolarHBondContact O-N 2.85Å; L482-M488 HydrophobicContact CB-CB 3.85Å; L482-M488 HydrophobicContact CD1-SD 4.45Å; L482-M488 PolarHBondContact O-N 3.46Å; L482-L494 HydrophobicContact CD1-CD1 3.91Å |
| 483 | K | 91.8 | Very high | 89.9 | Confident | 72 Ų | 72 | 45.5 Ų | 45.5 | 31% | 0.313 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -66.2 | -45.7 | 172.2 | -74 | 174.2 | -172.4 | -165.6 | 0 | 112 | E479 Q480 Q481 L485 G486 M488 P489 P490 Q492 | E479-K483 WeakPolarHBondContact O-CB 3.5Å; E479-K483 WeakPolarHBondContact O-CD 3.49Å; E479-K483 VanDerWaalsContact O-CG 3.23Å; E479-K483 WeakPolarHBondContact O-CG 3.35Å; E479-K483 PolarHBondContact O-N 3.47Å; Q480-K483 PolarHBondContact O-N 3.12Å; Q481-K483 VanDerWaalsContact C-N 3.32Å; Q481-K483 PolarHBondContact O-N 3.47Å; K483-L485 VanDerWaalsContact C-N 3.25Å; K483-L485 PolarHBondContact O-N 3.35Å; K483-G486 PolarHBondContact O-N 3.14Å; K483-G486 VanDerWaalsContact O-N 3.16Å; K483-M488 HydrophobicContact CD-CE 4.19Å; K483-M488 HydrophobicContact CG-CB 4.43Å; K483-M488 HydrophobicContact CG-CE 3.91Å; K483-P489 WeakPolarHBondContact CE-O 3.49Å; K483-P490 WeakPolarHBondContact CE-O 3.27Å; K483-P490 PolarHBondContact NZ-O 3Å; K483-Q492 WeakPolarHBondContact CE-O 3.37Å; K483-Q492 PolarHBondContact NZ-O 2.91Å |
| 484 | K | 90.8 | Very high | 89.4 | Confident | 134 Ų | 134 | 46.1 Ų | 46.1 | 58% | 0.583 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -66.2 | -24.6 | 176.4 | -71.3 | -164.4 | -164.5 | 164.1 | 0 | 113.7 | W439 Q480 Q481 | W439-K484 HydrophobicContact CH2-CD 3.89Å; W439-K484 HydrophobicContact CZ2-CD 3.75Å; W439-K484 HydrophobicContact CZ2-CG 4.46Å; Q480-K484 PolarHBondContact O-N 3.08Å; Q481-K484 PolarHBondContact O-N 3.49Å |
| 485 | L | 91.2 | Very high | 89.1 | Confident | 32 Ų | 32 | 46.5 Ų | 46.5 | 17% | 0.168 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -0.2 | 175.1 | -70 | 171.4 | 0 | 0 | 0 | 114.1 | V317 H320 L322 W441 Q481 L482 K483 V487 | V317-L485 HydrophobicContact CB-CD1 4.1Å; V317-L485 HydrophobicContact CG2-CD1 3.84Å; H320-L485 HydrophobicContact CB-CD2 4.21Å; L322-L485 HydrophobicContact CD1-CD1 3.86Å; L322-L485 HydrophobicContact CD1-CD2 4.23Å; L322-L485 HydrophobicContact CD2-CD1 3.81Å; L322-L485 HydrophobicContact CD2-CG 4.2Å; W441-L485 HydrophobicContact CH2-CD2 4.47Å; W441-L485 HydrophobicContact CZ2-CD2 3.73Å; Q481-L485 WeakPolarHBondContact O-CG 3.11Å; Q481-L485 PolarHBondContact O-N 3.08Å; L482-L485 PolarHBondContact O-N 2.78Å; K483-L485 VanDerWaalsContact C-N 3.25Å; K483-L485 PolarHBondContact O-N 3.35Å; L485-V487 HydrophobicContact CB-CG2 4.11Å; L485-V487 PolarHBondContact O-N 2.85Å; L485-V487 VanDerWaalsContact O-N 3.16Å |
| 486 | G | 88.4 | Confident | 88.8 | Confident | 66 Ų | 66 | 48.7 Ų | 48.7 | 68% | 0.68 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.7 | 5.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | L482 K483 M488 | L482-G486 PolarHBondContact O-N 3.32Å; K483-G486 PolarHBondContact O-N 3.14Å; K483-G486 VanDerWaalsContact O-N 3.16Å; G486-M488 VanDerWaalsContact C-N 3.31Å |
| 487 | V | 88.1 | Confident | 88.5 | Confident | 10 Ų | 10 | 53.5 Ų | 53.5 | 6% | 0.061 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -76.1 | -22 | 179.9 | 171 | 0 | 0 | 0 | 0 | 111.8 | V247 P275 F277 V317 L482 L485 | V247-V487 HydrophobicContact CG2-CG1 3.77Å; P275-V487 HydrophobicContact CB-CG1 4.27Å; F277-V487 HydrophobicContact CD1-CG1 4.1Å; V317-V487 HydrophobicContact CG1-CG2 3.75Å; V317-V487 HydrophobicContact CG2-CG2 4.02Å; L482-V487 HydrophobicContact CD2-CB 4.2Å; L482-V487 HydrophobicContact CD2-CG1 3.86Å; L482-V487 PolarHBondContact O-N 2.85Å; L485-V487 HydrophobicContact CB-CG2 4.11Å; L485-V487 PolarHBondContact O-N 2.85Å; L485-V487 VanDerWaalsContact O-N 3.16Å |
| 488 | M | 87.8 | Confident | 88.3 | Confident | 4 Ų | 4 | 53.6 Ų | 53.6 | 2% | 0.02 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -136.4 | 134 | -177.4 | -158.8 | 173.6 | 73.1 | 0 | 0 | 111.3 | Y249 E479 L482 K483 G486 L494 | Y249-M488 WeakPolarHBondContact OH-CG 3.48Å; E479-M488 HydrophobicContact CB-CE 3.93Å; E479-M488 HydrophobicContact CG-CE 4.02Å; L482-M488 HydrophobicContact CB-CB 3.85Å; L482-M488 HydrophobicContact CD1-SD 4.45Å; L482-M488 PolarHBondContact O-N 3.46Å; K483-M488 HydrophobicContact CD-CE 4.19Å; K483-M488 HydrophobicContact CG-CB 4.43Å; K483-M488 HydrophobicContact CG-CE 3.91Å; G486-M488 VanDerWaalsContact C-N 3.31Å; M488-L494 HydrophobicContact SD-CB 4.29Å; M488-L494 HydrophobicContact SD-CD1 4.03Å |
| 489 | P | 84.8 | Confident | 88.1 | Confident | 52 Ų | 52 | 57.5 Ų | 57.5 | 34% | 0.338 | 31% | 0.306 | S | S | . | . | trans | -60.3 | 148.4 | 179.8 | -25.3 | 35.1 | 0 | 0 | 0 | 113.4 | Y249 K483 E491 Q492 | Y249-P489 HydrophobicContact CE2-CG 4.21Å; K483-P489 WeakPolarHBondContact CE-O 3.49Å; P489-E491 VanDerWaalsContact C-N 3.31Å; P489-E491 PolarHBondContact O-N 3.25Å; P489-Q492 HydrophobicContact CB-CB 4.22Å; P489-Q492 HydrophobicContact CB-CG 4.22Å; P489-Q492 HydrophobicContact CG-CB 4.49Å; P489-Q492 PolarHBondContact O-N 3.17Å | ||
| 490 | P | 82.3 | Confident | 87.9 | Confident | 108 Ų | 108 | 61.6 Ų | 61.6 | 70% | 0.701 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -59.2 | -36 | -177.9 | -27 | 35.7 | 0 | 0 | 0 | 114.8 | K483 | K483-P490 WeakPolarHBondContact CE-O 3.27Å; K483-P490 PolarHBondContact NZ-O 3Å |
| 491 | E | 79.5 | Confident | 87.9 | Confident | 188 Ų | 188 | 62.6 Ų | 62.6 | 88% | 0.879 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -91.2 | -19.5 | -174 | -59.9 | -173.3 | 162.2 | 0 | 0 | 113.8 | P489 | P489-E491 VanDerWaalsContact C-N 3.31Å; P489-E491 PolarHBondContact O-N 3.25Å |
| 492 | Q | 81.2 | Confident | 87.8 | Confident | 81 Ų | 81 | 63 Ų | 63 | 38% | 0.379 | 33% | 0.327 | S | S | . | . | P | Polyproline II helix | trans | -91.2 | 148.1 | -172.8 | -64.7 | -176 | -2.4 | 0 | 0 | 112 | Y249 K483 P489 | Y249-Q492 HydrophobicContact CE1-CB 3.92Å; Y249-Q492 VanDerWaalsContact CZ-OE1 3.32Å; K483-Q492 WeakPolarHBondContact CE-O 3.37Å; K483-Q492 PolarHBondContact NZ-O 2.91Å; P489-Q492 HydrophobicContact CB-CB 4.22Å; P489-Q492 HydrophobicContact CB-CG 4.22Å; P489-Q492 HydrophobicContact CG-CB 4.49Å; P489-Q492 PolarHBondContact O-N 3.17Å |
| 493 | P | 84.8 | Confident | 87.6 | Confident | 88 Ų | 88 | 64 Ų | 64 | 57% | 0.571 | 33% | 0.332 | S | S | * | . | P | Polyproline II helix | trans | -78 | 172.5 | 170.5 | 34.4 | -35.9 | 0 | 0 | 0 | 110.9 | Y249 | Y249-P493 VanDerWaalsContact CE1-O 3.28Å; Y249-P493 WeakPolarHBondContact CE1-O 3.26Å; Y249-P493 PolarHBondContact OH-O 2.96Å |
| 494 | L | 85.9 | Confident | 87.6 | Confident | 12 Ų | 12 | 63.1 Ų | 63.1 | 6% | 0.063 | 33% | 0.332 | C | S | . | . | P | Polyproline II helix | trans | -60.5 | 134.3 | 171.5 | -172.4 | 74.1 | 0 | 0 | 0 | 111.2 | F277 M478 E479 L482 M488 C498 | F277-L494 HydrophobicContact CZ-CD1 4.23Å; M478-L494 HydrophobicContact CE-CD1 4.41Å; M478-L494 HydrophobicContact CE-CD2 3.58Å; E479-L494 HydrophobicContact CG-CB 4.34Å; L482-L494 HydrophobicContact CD1-CD1 3.91Å; M488-L494 HydrophobicContact SD-CB 4.29Å; M488-L494 HydrophobicContact SD-CD1 4.03Å; L494-C498 HydrophobicContact CD1-CB 3.93Å; L494-C498 HydrophobicContact CD2-CB 4.05Å; L494-C498 HydrophobicContact CG-CB 3.79Å |
| 495 | P | 88.6 | Confident | 87.8 | Confident | 9 Ų | 9 | 56.8 Ų | 56.8 | 6% | 0.058 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -55.7 | 142.5 | 177.5 | -27.6 | 34.9 | 0 | 0 | 0 | 113.5 | V247 N248 Y249 K497 C498 Y499 | V247-P495 HydrophobicContact CG1-CG 3.92Å; N248-P495 WeakPolarHBondContact O-CB 3.44Å; Y249-P495 HydrophobicContact CD1-CG 4.11Å; Y249-P495 HydrophobicContact CD2-CG 4.46Å; Y249-P495 HydrophobicContact CE1-CG 3.73Å; Y249-P495 HydrophobicContact CE2-CG 4.11Å; Y249-P495 HydrophobicContact CG-CG 4.47Å; P495-K497 PolarHBondContact O-N 3.18Å; P495-K497 VanDerWaalsContact O-N 3.12Å; P495-C498 WeakPolarHBondContact O-CA 3.32Å; P495-C498 WeakPolarHBondContact O-CB 3.43Å; P495-C498 PolarHBondContact O-N 3.05Å; P495-Y499 PolarHBondContact O-N 2.86Å |
| 496 | L | 85.9 | Confident | 87.9 | Confident | 95 Ų | 95 | 55.4 Ų | 55.4 | 50% | 0.497 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -57.1 | -34.6 | -173.4 | -175.6 | 62.5 | 0 | 0 | 0 | 113.2 | Y499 R500 | L496-Y499 HydrophobicContact CD1-CD1 4.41Å; L496-Y499 PolarHBondContact O-N 2.79Å; L496-R500 WeakPolarHBondContact O-CB 3.46Å; L496-R500 VanDerWaalsContact O-CG 3.28Å; L496-R500 WeakPolarHBondContact O-CG 3.43Å; L496-R500 PolarHBondContact O-N 2.89Å |
| 497 | K | 87.7 | Confident | 88 | Confident | 111 Ų | 111 | 52.4 Ų | 52.4 | 48% | 0.483 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63.5 | -48.1 | 175.2 | -171 | 173.3 | -177.8 | 177.3 | 0 | 112 | E251 P495 R500 I501 | E251-K497 VanDerWaalsContact CD-NZ 3.26Å; E251-K497 IonicContact OE1-NZ 2.73Å; E251-K497 PolarHBondContact OE1-NZ 3.21Å; E251-K497 VanDerWaalsContact OE1-NZ 3.16Å; E251-K497 WeakPolarHBondContact OE2-CD 3.46Å; E251-K497 WeakPolarHBondContact OE2-CE 3.35Å; E251-K497 IonicContact OE2-NZ 2.78Å; E251-K497 PolarHBondContact OE2-NZ 3.26Å; P495-K497 PolarHBondContact O-N 3.18Å; P495-K497 VanDerWaalsContact O-N 3.12Å; K497-R500 PolarHBondContact O-N 3.14Å; K497-I501 WeakPolarHBondContact O-CG1 3.46Å; K497-I501 PolarHBondContact O-N 3.27Å |
| 498 | C | 90.1 | Very high | 88.2 | Confident | 2 Ų | 2 | 53.9 Ų | 53.9 | 1% | 0.014 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.9 | -43.3 | 173.5 | -70.6 | 0 | 0 | 0 | 0 | 111.5 | L245 V246 L494 P495 I501 Y502 | L245-C498 HydrophobicContact CD1-CB 4.11Å; V246-C498 PolarHBondContact O-SG 2.97Å; L494-C498 HydrophobicContact CD1-CB 3.93Å; L494-C498 HydrophobicContact CD2-CB 4.05Å; L494-C498 HydrophobicContact CG-CB 3.79Å; P495-C498 WeakPolarHBondContact O-CA 3.32Å; P495-C498 WeakPolarHBondContact O-CB 3.43Å; P495-C498 PolarHBondContact O-N 3.05Å; C498-I501 PolarHBondContact O-N 2.6Å; C498-Y502 WeakPolarHBondContact O-CB 3.41Å; C498-Y502 PolarHBondContact O-N 2.87Å |
| 499 | Y | 89.3 | Confident | 88.5 | Confident | 83 Ų | 83 | 53.7 Ų | 53.7 | 33% | 0.325 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -63.8 | -40.8 | 178.5 | -176.8 | -122 | 0 | 0 | 0 | 113 | P495 L496 Y502 Q503 | P495-Y499 PolarHBondContact O-N 2.86Å; L496-Y499 HydrophobicContact CD1-CD1 4.41Å; L496-Y499 PolarHBondContact O-N 2.79Å; Y499-Y502 HydrophobicContact CD2-CD1 4.43Å; Y499-Y502 PolarHBondContact O-N 2.79Å; Y499-Q503 HydrophobicContact CD2-CG 4.5Å; Y499-Q503 HydrophobicContact CE1-CG 4.3Å; Y499-Q503 VanDerWaalsContact CE1-NE2 3.32Å; Y499-Q503 HydrophobicContact CE2-CG 4.14Å; Y499-Q503 WeakPolarHBondContact O-CB 3.49Å; Y499-Q503 WeakPolarHBondContact O-CG 3.3Å; Y499-Q503 PolarHBondContact O-N 2.86Å; Y499-Q503 PolarHBondContact OH-NE2 2.82Å |
| 500 | R | 88.3 | Confident | 88.8 | Confident | 114 Ų | 114 | 51.3 Ų | 51.3 | 43% | 0.43 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -61.6 | -41.8 | 174.1 | -76.6 | 171.4 | 176.1 | -173.8 | -1.5 | 112.2 | L496 K497 Q503 V504 | L496-R500 WeakPolarHBondContact O-CB 3.46Å; L496-R500 VanDerWaalsContact O-CG 3.28Å; L496-R500 WeakPolarHBondContact O-CG 3.43Å; L496-R500 PolarHBondContact O-N 2.89Å; K497-R500 PolarHBondContact O-N 3.14Å; R500-Q503 WeakPolarHBondContact O-CB 3.49Å; R500-Q503 PolarHBondContact O-N 2.7Å; R500-V504 WeakPolarHBondContact O-CG2 3.46Å; R500-V504 PolarHBondContact O-N 3.12Å; R500-V504 VanDerWaalsContact O-N 3.07Å |
| 501 | I | 91.5 | Very high | 89.1 | Confident | 53 Ų | 53 | 47.1 Ų | 47.1 | 27% | 0.272 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -67.3 | -45.1 | 177.1 | -64.1 | 164.1 | 0 | 0 | 0 | 110.3 | E243 L245 K497 C498 Q503 V504 M505 | E243-I501 HydrophobicContact CB-CG2 4.06Å; E243-I501 HydrophobicContact CG-CG2 3.88Å; L245-I501 HydrophobicContact CD2-CB 3.84Å; L245-I501 HydrophobicContact CD2-CD1 3.52Å; L245-I501 HydrophobicContact CD2-CG1 4.28Å; L245-I501 HydrophobicContact CD2-CG2 3.76Å; K497-I501 WeakPolarHBondContact O-CG1 3.46Å; K497-I501 PolarHBondContact O-N 3.27Å; C498-I501 PolarHBondContact O-N 2.6Å; I501-Q503 VanDerWaalsContact C-N 3.35Å; I501-Q503 PolarHBondContact O-N 2.88Å; I501-V504 WeakPolarHBondContact O-CA 3.13Å; I501-V504 WeakPolarHBondContact O-CB 3.4Å; I501-V504 PolarHBondContact O-N 2.84Å; I501-M505 HydrophobicContact CG2-CG 4.45Å; I501-M505 HydrophobicContact CG2-SD 4.43Å; I501-M505 WeakPolarHBondContact O-CG 3.47Å; I501-M505 PolarHBondContact O-N 2.78Å |
| 502 | Y | 92.4 | Very high | 89.6 | Confident | 8 Ų | 8 | 38.8 Ų | 38.8 | 3% | 0.031 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -56.2 | -44.9 | 174.7 | 178.5 | -96.7 | 0 | 0 | 0 | 112.8 | A471 A474 R475 M478 C498 Y499 V504 M505 W506 | A471-Y502 PolarHBondContact O-OH 3.49Å; A474-Y502 VanDerWaalsContact C-OH 3.27Å; A474-Y502 WeakPolarHBondContact CB-OH 3.3Å; R475-Y502 HydrophobicContact CB-CE1 3.98Å; R475-Y502 HydrophobicContact CG-CE1 4.47Å; R475-Y502 PolarHBondContact N-OH 2.79Å; M478-Y502 HydrophobicContact CE-CD2 3.64Å; M478-Y502 HydrophobicContact CE-CE2 3.81Å; M478-Y502 HydrophobicContact CE-CG 4.1Å; M478-Y502 HydrophobicContact SD-CD2 3.98Å; M478-Y502 HydrophobicContact SD-CE2 4.05Å; C498-Y502 WeakPolarHBondContact O-CB 3.41Å; C498-Y502 PolarHBondContact O-N 2.87Å; Y499-Y502 HydrophobicContact CD2-CD1 4.43Å; Y499-Y502 PolarHBondContact O-N 2.79Å; Y502-V504 PolarHBondContact O-N 3.3Å; Y502-M505 PolarHBondContact O-N 2.85Å; Y502-W506 AromaticContact CD2-CD1 3.97Å; Y502-W506 AromaticContact CE1-CD1 3.71Å; Y502-W506 AromaticContact CE1-NE1 3.97Å; Y502-W506 AromaticContact CE2-CD1 3.53Å; Y502-W506 AromaticContact CE2-NE1 3.24Å; Y502-W506 AromaticContact CZ-CD1 3.38Å; Y502-W506 AromaticContact CZ-NE1 3.16Å; Y502-W506 PolarHBondContact O-N 3.14Å; Y502-W506 PolarHBondContact OH-NE1 2.88Å |
| 503 | Q | 89.9 | Confident | 90.1 | Very high | 23 Ų | 23 | 35.3 Ų | 35.3 | 11% | 0.107 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -57 | -45.3 | 172.2 | -83.3 | -176.4 | -32.2 | 0 | 0 | 112.2 | Y499 R500 I501 W506 A507 T528 | Y499-Q503 HydrophobicContact CD2-CG 4.5Å; Y499-Q503 HydrophobicContact CE1-CG 4.3Å; Y499-Q503 VanDerWaalsContact CE1-NE2 3.32Å; Y499-Q503 HydrophobicContact CE2-CG 4.14Å; Y499-Q503 WeakPolarHBondContact O-CB 3.49Å; Y499-Q503 WeakPolarHBondContact O-CG 3.3Å; Y499-Q503 PolarHBondContact O-N 2.86Å; Y499-Q503 PolarHBondContact OH-NE2 2.82Å; R500-Q503 WeakPolarHBondContact O-CB 3.49Å; R500-Q503 PolarHBondContact O-N 2.7Å; I501-Q503 VanDerWaalsContact C-N 3.35Å; I501-Q503 PolarHBondContact O-N 2.88Å; Q503-W506 PolarHBondContact O-N 2.88Å; Q503-A507 WeakPolarHBondContact O-CB 3.21Å; Q503-A507 PolarHBondContact O-N 3.35Å; Q503-T528 CarbonylContact C-O 3.58Å; Q503-T528 VanDerWaalsContact CB-O 3.22Å; Q503-T528 WeakPolarHBondContact CB-O 3.41Å |
| 504 | V | 91.9 | Very high | 90.2 | Very high | 52 Ų | 52 | 31.1 Ų | 31.1 | 32% | 0.315 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -64.8 | -42.1 | 177 | 168.2 | 0 | 0 | 0 | 0 | 112.2 | R500 I501 Y502 A507 N508 | R500-V504 WeakPolarHBondContact O-CG2 3.46Å; R500-V504 PolarHBondContact O-N 3.12Å; R500-V504 VanDerWaalsContact O-N 3.07Å; I501-V504 WeakPolarHBondContact O-CA 3.13Å; I501-V504 WeakPolarHBondContact O-CB 3.4Å; I501-V504 PolarHBondContact O-N 2.84Å; Y502-V504 PolarHBondContact O-N 3.3Å; V504-A507 PolarHBondContact O-N 3.1Å; V504-N508 WeakPolarHBondContact O-CB 3.31Å; V504-N508 PolarHBondContact O-N 3.01Å; V504-N508 PolarHBondContact O-ND2 2.85Å; V504-N508 PolarHBondContact O-OD1 2.87Å |
| 505 | M | 94.2 | Very high | 90.3 | Very high | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60.3 | -48.4 | 176 | -66.9 | 176.7 | 84.2 | 0 | 0 | 111.7 | Q241 E243 V279 L281 I501 Y502 A507 N508 N509 | Q241-M505 HydrophobicContact CB-CE 4.42Å; Q241-M505 HydrophobicContact CG-CE 4.3Å; Q241-M505 HydrophobicContact CG-CG 4.4Å; E243-M505 HydrophobicContact CB-CE 4.18Å; E243-M505 HydrophobicContact CB-SD 3.91Å; E243-M505 HydrophobicContact CG-CE 3.91Å; E243-M505 HydrophobicContact CG-CG 3.89Å; E243-M505 HydrophobicContact CG-SD 3.64Å; V279-M505 HydrophobicContact CB-CE 4.3Å; V279-M505 HydrophobicContact CB-SD 4.35Å; V279-M505 HydrophobicContact CG1-CE 4.04Å; V279-M505 HydrophobicContact CG1-SD 4.16Å; L281-M505 HydrophobicContact CB-CE 4.14Å; L281-M505 HydrophobicContact CD2-CB 4.33Å; I501-M505 HydrophobicContact CG2-CG 4.45Å; I501-M505 HydrophobicContact CG2-SD 4.43Å; I501-M505 WeakPolarHBondContact O-CG 3.47Å; I501-M505 PolarHBondContact O-N 2.78Å; Y502-M505 PolarHBondContact O-N 2.85Å; M505-A507 VanDerWaalsContact C-N 3.33Å; M505-A507 PolarHBondContact O-N 2.88Å; M505-N508 PolarHBondContact O-N 2.87Å; M505-N509 PolarHBondContact O-N 2.86Å |
| 506 | W | 93.7 | Very high | 90.2 | Very high | 4 Ų | 4 | 32.8 Ų | 32.8 | 2% | 0.015 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -68.4 | -31 | 178.6 | -84.8 | 96.2 | 0 | 0 | 0 | 113.2 | L281 T311 N467 Q470 A471 A474 Y502 Q503 G510 T528 | L281-W506 HydrophobicContact CD1-CD2 4.46Å; L281-W506 HydrophobicContact CD1-CH2 4.06Å; L281-W506 HydrophobicContact CD1-CZ2 3.62Å; L281-W506 HydrophobicContact CD2-CD2 3.77Å; L281-W506 HydrophobicContact CD2-CE3 4.29Å; L281-W506 HydrophobicContact CD2-CG 3.92Å; L281-W506 HydrophobicContact CD2-CZ2 4.42Å; T311-W506 HydrophobicContact CG2-CH2 3.57Å; T311-W506 HydrophobicContact CG2-CZ2 4.38Å; T311-W506 HydrophobicContact CG2-CZ3 3.98Å; N467-W506 PolarHBondContact ND2-O 3Å; Q470-W506 HydrophobicContact CB-CH2 3.83Å; Q470-W506 HydrophobicContact CB-CZ3 3.69Å; A471-W506 HydrophobicContact CB-CB 3.96Å; A471-W506 HydrophobicContact CB-CD2 3.51Å; A471-W506 HydrophobicContact CB-CE3 3.77Å; A471-W506 HydrophobicContact CB-CG 3.59Å; A471-W506 HydrophobicContact CB-CZ3 4.44Å; A474-W506 HydrophobicContact CB-CH2 4.32Å; A474-W506 HydrophobicContact CB-CZ2 3.52Å; Y502-W506 AromaticContact CD2-CD1 3.97Å; Y502-W506 AromaticContact CE1-CD1 3.71Å; Y502-W506 AromaticContact CE1-NE1 3.97Å; Y502-W506 AromaticContact CE2-CD1 3.53Å; Y502-W506 AromaticContact CE2-NE1 3.24Å; Y502-W506 AromaticContact CZ-CD1 3.38Å; Y502-W506 AromaticContact CZ-NE1 3.16Å; Y502-W506 PolarHBondContact O-N 3.14Å; Y502-W506 PolarHBondContact OH-NE1 2.88Å; Q503-W506 PolarHBondContact O-N 2.88Å; W506-G510 PolarHBondContact O-N 3.4Å; W506-T528 HydrophobicContact CB-CG2 4.17Å |
| 507 | A | 90.4 | Very high | 89.8 | Confident | 2 Ų | 2 | 29.9 Ų | 29.9 | 2% | 0.017 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -69.2 | -39.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q503 V504 M505 N509 G510 D511 T528 R529 | Q503-A507 WeakPolarHBondContact O-CB 3.21Å; Q503-A507 PolarHBondContact O-N 3.35Å; V504-A507 PolarHBondContact O-N 3.1Å; M505-A507 VanDerWaalsContact C-N 3.33Å; M505-A507 PolarHBondContact O-N 2.88Å; A507-N509 VanDerWaalsContact C-N 3.35Å; A507-G510 PolarHBondContact O-N 3.05Å; A507-D511 WeakPolarHBondContact O-CB 3.35Å; A507-D511 PolarHBondContact O-N 2.83Å; A507-T528 HydrophobicContact CB-CG2 3.91Å; A507-R529 HydrophobicContact CB-CB 4.39Å; A507-R529 HydrophobicContact CB-CG 3.22Å |
| 508 | N | 92.8 | Very high | 89.3 | Confident | 41 Ų | 41 | 24.6 Ų | 24.6 | 22% | 0.219 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -63.9 | -39.1 | 174.6 | -70.5 | -13.2 | 0 | 0 | 0 | 111.8 | F239 Q241 V504 M505 T512 R529 | F239-N508 HydrophobicContact CE2-CB 3.75Å; F239-N508 HydrophobicContact CZ-CB 3.55Å; Q241-N508 PolarHBondContact OE1-ND2 3.34Å; V504-N508 WeakPolarHBondContact O-CB 3.31Å; V504-N508 PolarHBondContact O-N 3.01Å; V504-N508 PolarHBondContact O-ND2 2.85Å; V504-N508 PolarHBondContact O-OD1 2.87Å; M505-N508 PolarHBondContact O-N 2.87Å; N508-T512 WeakPolarHBondContact O-CB 3.34Å; N508-T512 PolarHBondContact O-N 3.16Å; N508-T512 PolarHBondContact O-OG1 3.5Å; N508-R529 VanDerWaalsContact OD1-CZ 3.26Å; N508-R529 PolarHBondContact OD1-NH1 3.48Å; N508-R529 PolarHBondContact OD1-NH2 3.48Å |
| 509 | N | 93.6 | Very high | 88.7 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -58.8 | -51.5 | 170.5 | -176.6 | 8.5 | 0 | 0 | 0 | 110.9 | F239 L281 S283 R328 M505 A507 D511 T512 I513 | F239-N509 HydrophobicContact CD1-CB 3.6Å; F239-N509 HydrophobicContact CE1-CB 3.72Å; F239-N509 HydrophobicContact CG-CB 4.2Å; F239-N509 HydrophobicContact CZ-CB 4.39Å; L281-N509 HydrophobicContact CD2-CB 3.84Å; S283-N509 PolarHBondContact OG-ND2 2.88Å; S283-N509 VanDerWaalsContact OG-ND2 3.09Å; S283-N509 PolarHBondContact OG-OD1 3.47Å; R328-N509 PolarHBondContact NH2-OD1 3.17Å; M505-N509 PolarHBondContact O-N 2.86Å; A507-N509 VanDerWaalsContact C-N 3.35Å; N509-D511 PolarHBondContact O-N 3.23Å; N509-T512 PolarHBondContact O-N 3.17Å; N509-I513 WeakPolarHBondContact O-CG1 3.43Å; N509-I513 PolarHBondContact O-N 2.94Å; N509-I513 WeakPolarHBondContact OD1-CG1 3.26Å |
| 510 | G | 90.6 | Very high | 87.9 | Confident | 3 Ų | 3 | 22.1 Ų | 22.1 | 3% | 0.031 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -57.1 | -47.5 | 177 | 0 | 0 | 0 | 0 | 0 | 113 | L463 W506 A507 S514 | L463-G510 WeakPolarHBondContact CD2-O 3.45Å; W506-G510 PolarHBondContact O-N 3.4Å; A507-G510 PolarHBondContact O-N 3.05Å; G510-S514 WeakPolarHBondContact O-CB 3.25Å; G510-S514 PolarHBondContact O-N 2.57Å |
| 511 | D | 88.8 | Confident | 87.2 | Confident | 19 Ų | 19 | 17.9 Ų | 17.9 | 10% | 0.102 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -63.4 | -45.3 | 179.3 | -79 | -34 | 0 | 0 | 0 | 112 | A507 N509 S514 K515 A521 A522 R529 | A507-D511 WeakPolarHBondContact O-CB 3.35Å; A507-D511 PolarHBondContact O-N 2.83Å; N509-D511 PolarHBondContact O-N 3.23Å; D511-S514 PolarHBondContact O-N 3.33Å; D511-K515 WeakPolarHBondContact O-CG 3.49Å; D511-K515 PolarHBondContact O-N 2.67Å; D511-K515 VanDerWaalsContact O-N 3.07Å; D511-A521 HydrophobicContact CB-CB 4.45Å; D511-A521 WeakPolarHBondContact OD1-CB 3.19Å; D511-A522 WeakPolarHBondContact OD1-CB 2.97Å; D511-A522 PolarHBondContact OD1-N 3.23Å; D511-R529 IonicContact OD2-CZ 2.59Å; D511-R529 IonicContact OD2-NE 3.47Å; D511-R529 IonicContact OD2-NH2 3.2Å; D511-R529 PolarHBondContact OD2-NH2 3.19Å |
| 512 | T | 90.8 | Very high | 86.3 | Confident | 13 Ų | 13 | 15.7 Ų | 15.7 | 8% | 0.08 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -67.2 | -49.2 | -178.5 | -55.2 | 0 | 0 | 0 | 0 | 112.2 | G238 F239 N508 N509 S514 K515 Q516 | G238-T512 WeakPolarHBondContact O-CG2 3.44Å; F239-T512 HydrophobicContact CB-CG2 4.3Å; F239-T512 HydrophobicContact CD2-CG2 4.07Å; F239-T512 WeakPolarHBondContact CD2-OG1 3.46Å; N508-T512 WeakPolarHBondContact O-CB 3.34Å; N508-T512 PolarHBondContact O-N 3.16Å; N508-T512 PolarHBondContact O-OG1 3.5Å; N509-T512 PolarHBondContact O-N 3.17Å; T512-S514 PolarHBondContact O-N 3.14Å; T512-K515 WeakPolarHBondContact O-CB 3.24Å; T512-K515 PolarHBondContact O-N 2.78Å; T512-K515 VanDerWaalsContact O-N 3.13Å; T512-Q516 PolarHBondContact O-N 3.34Å |
| 513 | I | 90.6 | Very high | 85.1 | Confident | 8 Ų | 8 | 16.8 Ų | 16.8 | 4% | 0.041 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -66.8 | -27.5 | 177.6 | -57.5 | -65.5 | 0 | 0 | 0 | 111 | F239 V309 L463 N509 Q516 Y517 | F239-I513 HydrophobicContact CB-CD1 4.33Å; F239-I513 HydrophobicContact CB-CG1 4.5Å; V309-I513 HydrophobicContact CG2-CG2 4.35Å; L463-I513 HydrophobicContact CD1-CB 4.34Å; L463-I513 HydrophobicContact CD1-CG2 3.76Å; L463-I513 HydrophobicContact CD2-CB 3.76Å; L463-I513 HydrophobicContact CD2-CG2 3.86Å; L463-I513 HydrophobicContact CG-CG2 4.49Å; N509-I513 WeakPolarHBondContact O-CG1 3.43Å; N509-I513 PolarHBondContact O-N 2.94Å; N509-I513 WeakPolarHBondContact OD1-CG1 3.26Å; I513-Q516 WeakPolarHBondContact O-CB 3.42Å; I513-Q516 PolarHBondContact O-N 3.44Å; I513-Y517 PolarHBondContact O-N 3.43Å |
| 514 | S | 87.8 | Confident | 83.9 | Confident | 1 Ų | 1 | 17.9 Ų | 17.9 | 1% | 0.007 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -66.8 | -41.7 | 171.5 | 177.6 | 0 | 0 | 0 | 0 | 112.2 | L463 G510 D511 T512 Q516 Y517 A518 T520 A521 A522 R548 | L463-S514 VanDerWaalsContact CD2-N 3.32Å; G510-S514 WeakPolarHBondContact O-CB 3.25Å; G510-S514 PolarHBondContact O-N 2.57Å; D511-S514 PolarHBondContact O-N 3.33Å; T512-S514 PolarHBondContact O-N 3.14Å; S514-Q516 PolarHBondContact O-N 3.44Å; S514-Y517 PolarHBondContact O-N 2.75Å; S514-A518 PolarHBondContact O-N 2.85Å; S514-T520 CarbonylContact C-O 3.5Å; S514-T520 VanDerWaalsContact CB-O 3.29Å; S514-T520 WeakPolarHBondContact CB-O 3.4Å; S514-T520 PolarHBondContact OG-O 2.81Å; S514-A521 VanDerWaalsContact OG-C 3.24Å; S514-A521 PolarHBondContact OG-O 2.8Å; S514-A521 VanDerWaalsContact OG-O 3.04Å; S514-A522 PolarHBondContact OG-N 3.43Å; S514-R548 PolarHBondContact OG-NH2 3.26Å |
| 515 | K | 87.6 | Confident | 82.3 | Confident | 49 Ų | 49 | 15.6 Ų | 15.6 | 21% | 0.213 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -57.1 | -35.4 | 176.7 | -70.7 | 177.1 | 175.3 | -160.9 | 0 | 111.9 | D172 S173 D174 D511 T512 G519 T520 R559 | D172-K515 PolarHBondContact O-NZ 3.44Å; S173-K515 WeakPolarHBondContact O-CD 3.41Å; D174-K515 IonicContact OD2-NZ 2.74Å; D174-K515 PolarHBondContact OD2-NZ 3.41Å; D511-K515 WeakPolarHBondContact O-CG 3.49Å; D511-K515 PolarHBondContact O-N 2.67Å; D511-K515 VanDerWaalsContact O-N 3.07Å; T512-K515 WeakPolarHBondContact O-CB 3.24Å; T512-K515 PolarHBondContact O-N 2.78Å; T512-K515 VanDerWaalsContact O-N 3.13Å; K515-G519 VanDerWaalsContact O-CA 3.3Å; K515-G519 WeakPolarHBondContact O-CA 3.39Å; K515-G519 PolarHBondContact O-N 2.61Å; K515-T520 WeakPolarHBondContact CA-O 3.47Å; K515-T520 PolarHBondContact N-O 3.43Å; K515-R559 PolarHBondContact O-NH1 3Å |
| 516 | Q | 85.9 | Confident | 80.5 | Confident | 7 Ų | 7 | 16.9 Ų | 16.9 | 3% | 0.033 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -71.4 | -27.9 | -179 | -68.1 | 167.4 | 24.8 | 0 | 0 | 114.7 | S175 G238 R285 T512 I513 S514 | S175-Q516 WeakPolarHBondContact OG-CG 3.47Å; S175-Q516 PolarHBondContact OG-NE2 2.81Å; G238-Q516 PolarHBondContact O-NE2 3.13Å; R285-Q516 PolarHBondContact NH1-O 2.86Å; R285-Q516 VanDerWaalsContact NH1-O 3.14Å; R285-Q516 PolarHBondContact NH2-O 2.97Å; T512-Q516 PolarHBondContact O-N 3.34Å; I513-Q516 WeakPolarHBondContact O-CB 3.42Å; I513-Q516 PolarHBondContact O-N 3.44Å; S514-Q516 PolarHBondContact O-N 3.44Å |
| 517 | Y | 77.9 | Confident | 78.7 | Confident | 33 Ų | 33 | 18.2 Ų | 18.2 | 13% | 0.129 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -109.9 | -35 | -171.6 | 178.3 | -117.3 | 0 | 0 | 0 | 113.3 | G291 R293 R297 N307 C462 I513 S514 | G291-Y517 WeakPolarHBondContact O-CD2 3.41Å; R293-Y517 HydrophobicContact CB-CD1 4.19Å; R293-Y517 HydrophobicContact CB-CE1 3.81Å; R293-Y517 HydrophobicContact CB-CE2 4.17Å; R293-Y517 HydrophobicContact CG-CD1 4.47Å; R293-Y517 HydrophobicContact CG-CE1 3.71Å; R293-Y517 PolarHBondContact N-O 3.09Å; R297-Y517 PolarHBondContact NH1-OH 3.45Å; N307-Y517 HydrophobicContact CB-CD2 4.18Å; N307-Y517 HydrophobicContact CB-CE2 4.25Å; N307-Y517 VanDerWaalsContact ND2-CE2 3.3Å; N307-Y517 WeakPolarHBondContact ND2-CE2 3.35Å; C462-Y517 HydrophobicContact CB-CD1 4.03Å; C462-Y517 HydrophobicContact CB-CE1 3.92Å; I513-Y517 PolarHBondContact O-N 3.43Å; S514-Y517 PolarHBondContact O-N 2.75Å |
| 518 | A | 77.2 | Confident | 77.5 | Confident | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -125.1 | 3.4 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | S514 T520 R548 | S514-A518 PolarHBondContact O-N 2.85Å; A518-T520 PolarHBondContact O-N 2.78Å; A518-T520 VanDerWaalsContact O-N 3.16Å; A518-R548 HydrophobicContact CB-CG 4.36Å |
| 519 | G | 76.7 | Confident | 76.6 | Confident | 22 Ų | 22 | 20 Ų | 20 | 23% | 0.227 | 11% | 0.106 | C | C | . | . | S | Bend | trans | 73.7 | -1.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | K515 L551 | K515-G519 VanDerWaalsContact O-CA 3.3Å; K515-G519 WeakPolarHBondContact O-CA 3.39Å; K515-G519 PolarHBondContact O-N 2.61Å; G519-L551 WeakPolarHBondContact O-CD1 3.26Å |
| 520 | T | 72.9 | Confident | 74.8 | Confident | 12 Ų | 12 | 22.9 Ų | 22.9 | 7% | 0.074 | 12% | 0.124 | C | C | . | . | S | Bend | trans | -133 | 167.1 | 177.9 | 75.4 | 0 | 0 | 0 | 0 | 111.2 | S514 K515 A518 N547 R548 L551 | S514-T520 CarbonylContact C-O 3.5Å; S514-T520 VanDerWaalsContact CB-O 3.29Å; S514-T520 WeakPolarHBondContact CB-O 3.4Å; S514-T520 PolarHBondContact OG-O 2.81Å; K515-T520 WeakPolarHBondContact CA-O 3.47Å; K515-T520 PolarHBondContact N-O 3.43Å; A518-T520 PolarHBondContact O-N 2.78Å; A518-T520 VanDerWaalsContact O-N 3.16Å; T520-N547 HydrophobicContact CG2-CB 3.89Å; T520-R548 HydrophobicContact CG2-CG 3.69Å; T520-R548 WeakPolarHBondContact OG1-CG 3.28Å; T520-R548 PolarHBondContact OG1-NE 3.37Å; T520-L551 HydrophobicContact CG2-CD1 3.95Å |
| 521 | A | 74.8 | Confident | 73.2 | Confident | 24 Ų | 24 | 24.2 Ų | 24.2 | 20% | 0.198 | 14% | 0.137 | C | C | . | . | P | Polyproline II helix | trans | -48.8 | 165.3 | 160.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | D511 S514 R548 | D511-A521 HydrophobicContact CB-CB 4.45Å; D511-A521 WeakPolarHBondContact OD1-CB 3.19Å; S514-A521 VanDerWaalsContact OG-C 3.24Å; S514-A521 PolarHBondContact OG-O 2.8Å; S514-A521 VanDerWaalsContact OG-O 3.04Å; A521-R548 PolarHBondContact O-NH2 2.66Å |
| 522 | A | 71.2 | Confident | 71.7 | Confident | 7 Ų | 7 | 29.6 Ų | 29.6 | 6% | 0.058 | 16% | 0.162 | C | C | . | . | P | Polyproline II helix | trans | -63.2 | 159.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | D464 D511 S514 N544 | D464-A522 WeakPolarHBondContact OD1-CB 3.49Å; D511-A522 WeakPolarHBondContact OD1-CB 2.97Å; D511-A522 PolarHBondContact OD1-N 3.23Å; S514-A522 PolarHBondContact OG-N 3.43Å; A522-N544 PolarHBondContact O-ND2 3.23Å |
| 523 | L | 67.4 | Low | 70.2 | Confident | 32 Ų | 32 | 32.5 Ų | 32.5 | 17% | 0.168 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -91.6 | 152 | 160.9 | -62.7 | 171.1 | 0 | 0 | 0 | 108.2 | D464 G525 D541 N544 R548 | D464-L523 WeakPolarHBondContact CB-O 3.49Å; D464-L523 VanDerWaalsContact CG-O 3.3Å; D464-L523 PolarHBondContact OD1-N 3.44Å; D464-L523 WeakPolarHBondContact OD2-CB 3.3Å; L523-G525 PolarHBondContact O-N 3.06Å; L523-G525 VanDerWaalsContact O-N 3.11Å; L523-D541 VanDerWaalsContact CA-OD1 3.27Å; L523-D541 WeakPolarHBondContact CA-OD1 3.2Å; L523-D541 HydrophobicContact CD2-CB 3.77Å; L523-D541 VanDerWaalsContact CD2-O 3.31Å; L523-D541 WeakPolarHBondContact CD2-O 3.49Å; L523-D541 WeakPolarHBondContact CD2-OD1 3.11Å; L523-N544 HydrophobicContact CD2-CB 3.71Å; L523-R548 VanDerWaalsContact CD1-NH1 3.28Å; L523-R548 VanDerWaalsContact CG-NH1 3.35Å |
| 524 | K | 65.8 | Low | 69 | Low | 46 Ų | 46 | 38 Ų | 38 | 20% | 0.2 | 20% | 0.195 | C | C | . | . | S | Bend | trans | 59.7 | 14.2 | -173.9 | -51.9 | 155.9 | 168.4 | -175.4 | 0 | 113.8 | F420 D526 F527 T528 D541 | F420-K524 HydrophobicContact CE1-CD 4.43Å; F420-K524 HydrophobicContact CZ-CD 3.9Å; K524-D526 PolarHBondContact O-N 2.61Å; K524-D526 VanDerWaalsContact O-N 3.16Å; K524-F527 WeakPolarHBondContact O-CB 3.42Å; K524-F527 PolarHBondContact O-N 3.16Å; K524-T528 PolarHBondContact O-N 2.72Å; K524-D541 PolarHBondContact N-OD1 2.58Å; K524-D541 PolarHBondContact N-OD2 3.16Å; K524-D541 VanDerWaalsContact N-OD2 3.12Å |
| 525 | G | 57.3 | Low | 67.3 | Low | 3 Ų | 3 | 45.2 Ų | 45.2 | 3% | 0.031 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -54.2 | -37.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L523 F527 T528 R529 | L523-G525 PolarHBondContact O-N 3.06Å; L523-G525 VanDerWaalsContact O-N 3.11Å; G525-F527 VanDerWaalsContact C-N 3.31Å; G525-F527 PolarHBondContact O-N 3.49Å; G525-T528 WeakPolarHBondContact O-CA 3.36Å; G525-T528 WeakPolarHBondContact O-CB 3.41Å; G525-T528 PolarHBondContact O-N 2.83Å; G525-R529 WeakPolarHBondContact O-CG 3.4Å; G525-R529 PolarHBondContact O-N 3.29Å; G525-R529 VanDerWaalsContact O-N 3.13Å |
| 526 | D | 56.3 | Low | 65.6 | Low | 28 Ų | 28 | 46.4 Ų | 46.4 | 15% | 0.15 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -57.2 | -37.3 | 174.5 | -64.3 | 20.4 | 0 | 0 | 0 | 113 | K524 T528 R529 T530 G537 K540 | K524-D526 PolarHBondContact O-N 2.61Å; K524-D526 VanDerWaalsContact O-N 3.16Å; D526-T528 VanDerWaalsContact C-N 3.34Å; D526-T528 PolarHBondContact O-N 3.44Å; D526-R529 PolarHBondContact O-N 2.85Å; D526-R529 VanDerWaalsContact O-N 3.16Å; D526-T530 PolarHBondContact O-N 2.78Å; D526-T530 PolarHBondContact O-OG1 3.11Å; D526-G537 WeakPolarHBondContact OD2-CA 3.38Å; D526-K540 IonicContact OD1-NZ 3.99Å; D526-K540 PolarHBondContact OD1-NZ 2.88Å |
| 527 | F | 56.9 | Low | 64.4 | Low | 32 Ų | 32 | 46 Ų | 46 | 14% | 0.14 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -63.2 | -41 | 173.3 | 168.1 | -90.7 | 0 | 0 | 0 | 111.3 | F420 V468 K524 G525 R529 T530 G531 | F420-F527 HydrophobicContact CB-CD1 4.33Å; F420-F527 HydrophobicContact CB-CD2 4.33Å; F420-F527 HydrophobicContact CB-CE1 3.55Å; F420-F527 HydrophobicContact CB-CE2 3.53Å; F420-F527 HydrophobicContact CB-CZ 3.11Å; F420-F527 HydrophobicContact CD1-CD1 4.29Å; F420-F527 HydrophobicContact CD1-CE1 4.13Å; F420-F527 HydrophobicContact CD1-CZ 4.5Å; F420-F527 AromaticContact CD2-CD1 3.86Å; F420-F527 HydrophobicContact CD2-CD1 3.86Å; F420-F527 AromaticContact CD2-CD2 3.41Å; F420-F527 HydrophobicContact CD2-CD2 3.41Å; F420-F527 VanDerWaalsContact CD2-CD2 3.41Å; F420-F527 AromaticContact CD2-CE1 3.94Å; F420-F527 HydrophobicContact CD2-CE1 3.94Å; F420-F527 AromaticContact CD2-CE2 3.47Å; F420-F527 HydrophobicContact CD2-CE2 3.47Å; F420-F527 VanDerWaalsContact CD2-CE2 3.47Å; F420-F527 AromaticContact CD2-CG 3.64Å; F420-F527 HydrophobicContact CD2-CG 3.64Å; F420-F527 AromaticContact CD2-CZ 3.79Å; F420-F527 HydrophobicContact CD2-CZ 3.79Å; F420-F527 HydrophobicContact CE2-CB 4.39Å; F420-F527 HydrophobicContact CE2-CD1 4.19Å; F420-F527 AromaticContact CE2-CD2 3.95Å; F420-F527 HydrophobicContact CE2-CD2 3.95Å; F420-F527 HydrophobicContact CE2-CE2 4.43Å; F420-F527 AromaticContact CE2-CG 3.85Å; F420-F527 HydrophobicContact CE2-CG 3.85Å; F420-F527 AromaticContact CG-CD1 3.92Å; F420-F527 HydrophobicContact CG-CD1 3.92Å; F420-F527 HydrophobicContact CG-CD2 4.1Å; F420-F527 AromaticContact CG-CE1 3.63Å; F420-F527 HydrophobicContact CG-CE1 3.63Å; F420-F527 AromaticContact CG-CE2 3.78Å; F420-F527 HydrophobicContact CG-CE2 3.78Å; F420-F527 HydrophobicContact CG-CG 4.19Å; F420-F527 AromaticContact CG-CZ 3.6Å; F420-F527 HydrophobicContact CG-CZ 3.6Å; V468-F527 HydrophobicContact CG1-CE1 4.24Å; V468-F527 HydrophobicContact CG2-CD1 4.25Å; V468-F527 HydrophobicContact CG2-CE1 4.26Å; K524-F527 WeakPolarHBondContact O-CB 3.42Å; K524-F527 PolarHBondContact O-N 3.16Å; G525-F527 VanDerWaalsContact C-N 3.31Å; G525-F527 PolarHBondContact O-N 3.49Å; F527-R529 PolarHBondContact O-N 3.08Å; F527-T530 PolarHBondContact O-N 2.66Å; F527-G531 VanDerWaalsContact CD2-C 3.5Å; F527-G531 WeakPolarHBondContact CD2-O 3.18Å; F527-G531 VanDerWaalsContact CE2-C 3.42Å; F527-G531 WeakPolarHBondContact CE2-O 3.41Å; F527-G531 WeakPolarHBondContact O-CA 3.44Å; F527-G531 PolarHBondContact O-N 2.73Å |
| 528 | T | 63.9 | Low | 63.5 | Low | 17 Ų | 17 | 48.4 Ų | 48.4 | 10% | 0.104 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65.5 | -27.3 | 177.8 | -48.5 | 0 | 0 | 0 | 0 | 111.3 | Q503 W506 A507 K524 G525 D526 | Q503-T528 CarbonylContact C-O 3.58Å; Q503-T528 VanDerWaalsContact CB-O 3.22Å; Q503-T528 WeakPolarHBondContact CB-O 3.41Å; W506-T528 HydrophobicContact CB-CG2 4.17Å; A507-T528 HydrophobicContact CB-CG2 3.91Å; K524-T528 PolarHBondContact O-N 2.72Å; G525-T528 WeakPolarHBondContact O-CA 3.36Å; G525-T528 WeakPolarHBondContact O-CB 3.41Å; G525-T528 PolarHBondContact O-N 2.83Å; D526-T528 VanDerWaalsContact C-N 3.34Å; D526-T528 PolarHBondContact O-N 3.44Å |
| 529 | R | 74.6 | Confident | 62.5 | Low | 63 Ų | 63 | 55.4 Ų | 55.4 | 24% | 0.238 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -82.6 | -32.7 | 179.4 | -65.8 | 178.3 | -176.1 | -76.9 | -3.7 | 114.7 | A507 N508 D511 G525 D526 F527 | A507-R529 HydrophobicContact CB-CB 4.39Å; A507-R529 HydrophobicContact CB-CG 3.22Å; N508-R529 VanDerWaalsContact OD1-CZ 3.26Å; N508-R529 PolarHBondContact OD1-NH1 3.48Å; N508-R529 PolarHBondContact OD1-NH2 3.48Å; D511-R529 IonicContact OD2-CZ 2.59Å; D511-R529 IonicContact OD2-NE 3.47Å; D511-R529 IonicContact OD2-NH2 3.2Å; D511-R529 PolarHBondContact OD2-NH2 3.19Å; G525-R529 WeakPolarHBondContact O-CG 3.4Å; G525-R529 PolarHBondContact O-N 3.29Å; G525-R529 VanDerWaalsContact O-N 3.13Å; D526-R529 PolarHBondContact O-N 2.85Å; D526-R529 VanDerWaalsContact O-N 3.16Å; F527-R529 PolarHBondContact O-N 3.08Å |
| 530 | T | 55.4 | Low | 61.8 | Low | 62 Ų | 62 | 58.3 Ų | 58.3 | 38% | 0.38 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -131.5 | 3.6 | -171.9 | 59 | 0 | 0 | 0 | 0 | 115.3 | D526 F527 E532 | D526-T530 PolarHBondContact O-N 2.78Å; D526-T530 PolarHBondContact O-OG1 3.11Å; F527-T530 PolarHBondContact O-N 2.66Å; T530-E532 PolarHBondContact O-N 2.9Å; T530-E532 VanDerWaalsContact O-N 3.08Å; T530-E532 PolarHBondContact OG1-O 3.22Å |
| 531 | G | 57.1 | Low | 61.4 | Low | 30 Ų | 30 | 58.3 Ų | 58.3 | 31% | 0.309 | 31% | 0.308 | S | S | . | . | S | Bend | trans | 67.3 | 2 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | F527 | F527-G531 VanDerWaalsContact CD2-C 3.5Å; F527-G531 WeakPolarHBondContact CD2-O 3.18Å; F527-G531 VanDerWaalsContact CE2-C 3.42Å; F527-G531 WeakPolarHBondContact CE2-O 3.41Å; F527-G531 WeakPolarHBondContact O-CA 3.44Å; F527-G531 PolarHBondContact O-N 2.73Å |
| 532 | E | 58.4 | Low | 60.8 | Low | 132 Ų | 132 | 59.1 Ų | 59.1 | 62% | 0.617 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -140.6 | 162 | -171.6 | -72.3 | -165.8 | 156.3 | 0 | 0 | 112.8 | T530 | T530-E532 PolarHBondContact O-N 2.9Å; T530-E532 VanDerWaalsContact O-N 3.08Å; T530-E532 PolarHBondContact OG1-O 3.22Å |
| 533 | R | 59 | Low | 60.5 | Low | 75 Ų | 75 | 62.4 Ų | 62.4 | 28% | 0.283 | 34% | 0.338 | S | S | . | . | trans | -105.7 | 85 | -173.6 | -114.4 | -70.8 | -159.7 | -153.2 | 1 | 111.9 | M418 D541 | M418-R533 HydrophobicContact CB-CG 4.33Å; M418-R533 HydrophobicContact CG-CG 4.04Å; M418-R533 HydrophobicContact SD-CG 4.26Å; R533-D541 IonicContact CZ-OD2 2.7Å; R533-D541 IonicContact NH1-OD2 3.09Å; R533-D541 PolarHBondContact NH1-OD2 2.83Å; R533-D541 IonicContact NH2-OD2 2.73Å; R533-D541 PolarHBondContact NH2-OD2 3.41Å | ||
| 534 | K | 64.3 | Low | 60.6 | Low | 122 Ų | 122 | 61.9 Ų | 61.9 | 53% | 0.53 | 34% | 0.335 | S | S | . | . | trans | -71.5 | 143.5 | 177.2 | -57.7 | -170.2 | -179.1 | -172.4 | 0 | 112 | A536 G537 V538 | K534-A536 VanDerWaalsContact C-N 3.35Å; K534-A536 PolarHBondContact O-N 2.99Å; K534-G537 WeakPolarHBondContact O-CA 3.45Å; K534-G537 PolarHBondContact O-N 3.21Å; K534-V538 PolarHBondContact O-N 2.9Å | ||
| 535 | L | 52.5 | Low | 60.5 | Low | 153 Ų | 153 | 60.8 Ų | 60.8 | 80% | 0.801 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -62.2 | -37.1 | -174.7 | -172.1 | 148.7 | 0 | 0 | 0 | 113.1 | G537 V538 M539 | L535-G537 PolarHBondContact O-N 2.92Å; L535-V538 WeakPolarHBondContact O-CB 3.42Å; L535-V538 PolarHBondContact O-N 3.48Å; L535-M539 PolarHBondContact O-N 3.19Å |
| 536 | A | 52.5 | Low | 60.8 | Low | 74 Ų | 74 | 63.4 Ų | 63.4 | 61% | 0.612 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -57.8 | -35.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | K534 V538 M539 K540 | K534-A536 VanDerWaalsContact C-N 3.35Å; K534-A536 PolarHBondContact O-N 2.99Å; A536-V538 VanDerWaalsContact C-N 3.31Å; A536-V538 PolarHBondContact O-N 3.09Å; A536-M539 PolarHBondContact O-N 3.19Å; A536-K540 WeakPolarHBondContact O-CB 3.4Å; A536-K540 PolarHBondContact O-N 3.36Å |
| 537 | G | 59.3 | Low | 61.4 | Low | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -66.9 | -28.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | D526 K534 L535 D541 | D526-G537 WeakPolarHBondContact OD2-CA 3.38Å; K534-G537 WeakPolarHBondContact O-CA 3.45Å; K534-G537 PolarHBondContact O-N 3.21Å; L535-G537 PolarHBondContact O-N 2.92Å; G537-D541 WeakPolarHBondContact O-CB 3.36Å; G537-D541 PolarHBondContact O-N 3.4Å |
| 538 | V | 59.8 | Low | 62.1 | Low | 82 Ų | 82 | 64.6 Ų | 64.6 | 50% | 0.497 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -70.2 | -40.8 | 172.9 | -175.3 | 0 | 0 | 0 | 0 | 110.5 | K534 L535 A536 D541 G542 | K534-V538 PolarHBondContact O-N 2.9Å; L535-V538 WeakPolarHBondContact O-CB 3.42Å; L535-V538 PolarHBondContact O-N 3.48Å; A536-V538 VanDerWaalsContact C-N 3.31Å; A536-V538 PolarHBondContact O-N 3.09Å; V538-D541 PolarHBondContact O-N 3.5Å; V538-G542 PolarHBondContact O-N 2.74Å |
| 539 | M | 56 | Low | 62.2 | Low | 147 Ų | 147 | 68.6 Ų | 68.6 | 72% | 0.724 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -66.2 | -43.1 | 175.1 | -172.7 | 175.3 | 178.2 | 0 | 0 | 111.9 | L535 A536 G542 V543 | L535-M539 PolarHBondContact O-N 3.19Å; A536-M539 PolarHBondContact O-N 3.19Å; M539-G542 PolarHBondContact O-N 3.2Å; M539-G542 VanDerWaalsContact O-N 3.13Å; M539-V543 PolarHBondContact O-N 3.16Å |
| 540 | K | 63.3 | Low | 62 | Low | 83 Ų | 83 | 71.8 Ų | 71.8 | 36% | 0.361 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -59.6 | -43.9 | 173.8 | -179.8 | -177.3 | 168.1 | -165.7 | 0 | 112.2 | D526 A536 G542 V543 N544 | D526-K540 IonicContact OD1-NZ 3.99Å; D526-K540 PolarHBondContact OD1-NZ 2.88Å; A536-K540 WeakPolarHBondContact O-CB 3.4Å; A536-K540 PolarHBondContact O-N 3.36Å; K540-G542 VanDerWaalsContact C-N 3.3Å; K540-G542 PolarHBondContact O-N 3.03Å; K540-V543 PolarHBondContact O-N 2.65Å; K540-N544 WeakPolarHBondContact O-CB 3.44Å; K540-N544 PolarHBondContact O-N 2.89Å |
| 541 | D | 64 | Low | 62.8 | Low | 13 Ų | 13 | 69.6 Ų | 69.6 | 7% | 0.07 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -60.7 | -37.1 | 172.7 | -86.3 | -2.7 | 0 | 0 | 0 | 112.3 | L523 K524 R533 G537 V538 S545 | L523-D541 VanDerWaalsContact CA-OD1 3.27Å; L523-D541 WeakPolarHBondContact CA-OD1 3.2Å; L523-D541 HydrophobicContact CD2-CB 3.77Å; L523-D541 VanDerWaalsContact CD2-O 3.31Å; L523-D541 WeakPolarHBondContact CD2-O 3.49Å; L523-D541 WeakPolarHBondContact CD2-OD1 3.11Å; K524-D541 PolarHBondContact N-OD1 2.58Å; K524-D541 PolarHBondContact N-OD2 3.16Å; K524-D541 VanDerWaalsContact N-OD2 3.12Å; R533-D541 IonicContact CZ-OD2 2.7Å; R533-D541 IonicContact NH1-OD2 3.09Å; R533-D541 PolarHBondContact NH1-OD2 2.83Å; R533-D541 IonicContact NH2-OD2 2.73Å; R533-D541 PolarHBondContact NH2-OD2 3.41Å; G537-D541 WeakPolarHBondContact O-CB 3.36Å; G537-D541 PolarHBondContact O-N 3.4Å; V538-D541 PolarHBondContact O-N 3.5Å; D541-S545 VanDerWaalsContact O-CB 3.28Å; D541-S545 WeakPolarHBondContact O-CB 3.47Å; D541-S545 PolarHBondContact O-N 3.07Å; D541-S545 PolarHBondContact O-OG 2.86Å |
| 542 | G | 61.3 | Low | 63.4 | Low | 41 Ų | 41 | 69.7 Ų | 69.7 | 42% | 0.423 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62.3 | -47.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | V538 M539 K540 S545 A546 | V538-G542 PolarHBondContact O-N 2.74Å; M539-G542 PolarHBondContact O-N 3.2Å; M539-G542 VanDerWaalsContact O-N 3.13Å; K540-G542 VanDerWaalsContact C-N 3.3Å; K540-G542 PolarHBondContact O-N 3.03Å; G542-S545 PolarHBondContact O-N 3.34Å; G542-A546 PolarHBondContact O-N 3.47Å |
| 543 | V | 65.7 | Low | 63.9 | Low | 76 Ų | 76 | 67.2 Ų | 67.2 | 46% | 0.461 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -63.8 | -45.2 | 175.4 | 176.7 | 0 | 0 | 0 | 0 | 111.2 | M539 K540 S545 A546 N547 | M539-V543 PolarHBondContact O-N 3.16Å; K540-V543 PolarHBondContact O-N 2.65Å; V543-S545 VanDerWaalsContact C-N 3.27Å; V543-S545 PolarHBondContact O-N 3.25Å; V543-A546 PolarHBondContact O-N 2.71Å; V543-N547 WeakPolarHBondContact O-CB 3.18Å; V543-N547 PolarHBondContact O-N 2.73Å |
| 544 | N | 68.5 | Low | 64.2 | Low | 21 Ų | 21 | 67.8 Ų | 67.8 | 11% | 0.112 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -58.5 | -38.8 | 174.1 | -80 | -12.5 | 0 | 0 | 0 | 111.9 | A522 L523 K540 N547 R548 | A522-N544 PolarHBondContact O-ND2 3.23Å; L523-N544 HydrophobicContact CD2-CB 3.71Å; K540-N544 WeakPolarHBondContact O-CB 3.44Å; K540-N544 PolarHBondContact O-N 2.89Å; N544-N547 PolarHBondContact O-N 3.04Å; N544-R548 WeakPolarHBondContact O-CB 3.33Å; N544-R548 VanDerWaalsContact O-CG 3.24Å; N544-R548 WeakPolarHBondContact O-CG 3.35Å; N544-R548 PolarHBondContact O-N 3.49Å |
| 545 | S | 65 | Low | 64.7 | Low | 23 Ų | 23 | 65 Ų | 65 | 16% | 0.161 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -68.5 | -40.6 | 178.7 | -61.9 | 0 | 0 | 0 | 0 | 112.7 | D541 G542 V543 R548 Y549 | D541-S545 VanDerWaalsContact O-CB 3.28Å; D541-S545 WeakPolarHBondContact O-CB 3.47Å; D541-S545 PolarHBondContact O-N 3.07Å; D541-S545 PolarHBondContact O-OG 2.86Å; G542-S545 PolarHBondContact O-N 3.34Å; V543-S545 VanDerWaalsContact C-N 3.27Å; V543-S545 PolarHBondContact O-N 3.25Å; S545-R548 PolarHBondContact O-N 2.93Å; S545-Y549 PolarHBondContact O-N 3.5Å; S545-Y549 VanDerWaalsContact O-N 3.07Å |
| 546 | A | 62.4 | Low | 66.1 | Low | 58 Ų | 58 | 57.9 Ų | 57.9 | 48% | 0.479 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64.9 | -44.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | G542 V543 Y549 Y550 | G542-A546 PolarHBondContact O-N 3.47Å; V543-A546 PolarHBondContact O-N 2.71Å; A546-Y549 PolarHBondContact O-N 2.93Å; A546-Y550 PolarHBondContact O-N 3.22Å |
| 547 | N | 68.8 | Low | 67.4 | Low | 77 Ų | 77 | 55 Ų | 55 | 41% | 0.412 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61.3 | -45.8 | 175.1 | -74.5 | -16.5 | 0 | 0 | 0 | 111.5 | T520 V543 N544 Y549 Y550 L551 | T520-N547 HydrophobicContact CG2-CB 3.89Å; V543-N547 WeakPolarHBondContact O-CB 3.18Å; V543-N547 PolarHBondContact O-N 2.73Å; N544-N547 PolarHBondContact O-N 3.04Å; N547-Y549 VanDerWaalsContact C-N 3.32Å; N547-Y549 PolarHBondContact O-N 2.69Å; N547-Y550 PolarHBondContact O-N 2.93Å; N547-L551 VanDerWaalsContact O-CG 3.28Å; N547-L551 WeakPolarHBondContact O-CG 3.24Å; N547-L551 PolarHBondContact O-N 2.86Å |
| 548 | R | 72.9 | Confident | 68.5 | Low | 7 Ų | 7 | 55.5 Ų | 55.5 | 3% | 0.026 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -53.7 | -47.5 | 173.2 | -78 | 174.6 | 179.1 | -166.1 | -0.3 | 110.9 | C462 D464 S514 A518 T520 A521 L523 N544 S545 Y550 L551 N552 | C462-R548 PolarHBondContact SG-NH1 3.04Å; D464-R548 IonicContact OD1-NH2 3.6Å; D464-R548 IonicContact OD2-NH1 2.85Å; S514-R548 PolarHBondContact OG-NH2 3.26Å; A518-R548 HydrophobicContact CB-CG 4.36Å; T520-R548 HydrophobicContact CG2-CG 3.69Å; T520-R548 WeakPolarHBondContact OG1-CG 3.28Å; T520-R548 PolarHBondContact OG1-NE 3.37Å; A521-R548 PolarHBondContact O-NH2 2.66Å; L523-R548 VanDerWaalsContact CD1-NH1 3.28Å; L523-R548 VanDerWaalsContact CG-NH1 3.35Å; N544-R548 WeakPolarHBondContact O-CB 3.33Å; N544-R548 VanDerWaalsContact O-CG 3.24Å; N544-R548 WeakPolarHBondContact O-CG 3.35Å; N544-R548 PolarHBondContact O-N 3.49Å; S545-R548 PolarHBondContact O-N 2.93Å; R548-Y550 PolarHBondContact O-N 3.24Å; R548-L551 PolarHBondContact O-N 2.89Å; R548-N552 VanDerWaalsContact O-CB 3.31Å; R548-N552 WeakPolarHBondContact O-CB 3.3Å; R548-N552 PolarHBondContact O-N 2.84Å; R548-N552 PolarHBondContact O-ND2 2.84Å |
| 549 | Y | 65.6 | Low | 69.8 | Low | 101 Ų | 101 | 52.3 Ų | 52.3 | 40% | 0.396 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -61.6 | -42.6 | 178.4 | 173.5 | -110.2 | 0 | 0 | 0 | 113.1 | Y342 S545 A546 N547 R553 | Y342-Y549 AromaticContact CD2-CD2 3.66Å; Y342-Y549 HydrophobicContact CD2-CD2 3.66Å; Y342-Y549 HydrophobicContact CD2-CE2 4.35Å; Y342-Y549 AromaticContact CD2-CG 3.83Å; Y342-Y549 HydrophobicContact CD2-CG 3.83Å; Y342-Y549 HydrophobicContact CE2-CG 4.34Å; Y342-Y549 HydrophobicContact CG-CD2 4.44Å; S545-Y549 PolarHBondContact O-N 3.5Å; S545-Y549 VanDerWaalsContact O-N 3.07Å; A546-Y549 PolarHBondContact O-N 2.93Å; N547-Y549 VanDerWaalsContact C-N 3.32Å; N547-Y549 PolarHBondContact O-N 2.69Å; Y549-R553 PolarHBondContact O-N 2.98Å; Y549-R553 PolarHBondContact OH-NH2 2.8Å |
| 550 | Y | 69.8 | Low | 71.4 | Confident | 130 Ų | 130 | 45.7 Ų | 45.7 | 51% | 0.51 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -63.3 | -47.6 | 175.7 | 177.3 | -94.9 | 0 | 0 | 0 | 112.2 | A546 N547 R548 R553 F554 | A546-Y550 PolarHBondContact O-N 3.22Å; N547-Y550 PolarHBondContact O-N 2.93Å; R548-Y550 PolarHBondContact O-N 3.24Å; Y550-R553 PolarHBondContact O-N 2.82Å; Y550-F554 AromaticContact CD2-CD2 3.56Å; Y550-F554 HydrophobicContact CD2-CD2 3.56Å; Y550-F554 AromaticContact CD2-CE2 3.96Å; Y550-F554 HydrophobicContact CD2-CE2 3.96Å; Y550-F554 AromaticContact CE2-CD2 3.5Å; Y550-F554 HydrophobicContact CE2-CD2 3.5Å; Y550-F554 VanDerWaalsContact CE2-CD2 3.5Å; Y550-F554 AromaticContact CE2-CE2 3.97Å; Y550-F554 HydrophobicContact CE2-CE2 3.97Å; Y550-F554 HydrophobicContact CE2-CG 4.29Å; Y550-F554 HydrophobicContact CG-CD2 4.27Å; Y550-F554 PolarHBondContact O-N 2.96Å |
| 551 | L | 72.1 | Confident | 72.4 | Confident | 17 Ų | 17 | 41.9 Ų | 41.9 | 9% | 0.089 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.8 | -48.6 | 180 | -64.5 | 174.4 | 0 | 0 | 0 | 111.5 | G519 T520 N547 R548 R553 F554 R555 D556 | G519-L551 WeakPolarHBondContact O-CD1 3.26Å; T520-L551 HydrophobicContact CG2-CD1 3.95Å; N547-L551 VanDerWaalsContact O-CG 3.28Å; N547-L551 WeakPolarHBondContact O-CG 3.24Å; N547-L551 PolarHBondContact O-N 2.86Å; R548-L551 PolarHBondContact O-N 2.89Å; L551-R553 PolarHBondContact O-N 2.93Å; L551-R553 VanDerWaalsContact O-N 3.09Å; L551-F554 PolarHBondContact O-N 3.42Å; L551-R555 HydrophobicContact CD2-CB 3.89Å; L551-R555 HydrophobicContact CD2-CG 4.26Å; L551-R555 PolarHBondContact O-N 3.07Å; L551-D556 WeakPolarHBondContact CB-OD1 3.36Å; L551-D556 PolarHBondContact O-N 3.22Å |
| 552 | N | 69.9 | Low | 73.6 | Confident | 32 Ų | 32 | 41.3 Ų | 41.3 | 17% | 0.171 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.9 | -23.7 | 176.6 | -81.2 | -96.6 | 0 | 0 | 0 | 113.2 | Y294 R548 D556 | Y294-N552 HydrophobicContact CD2-CB 4.03Å; Y294-N552 WeakPolarHBondContact CD2-OD1 3.36Å; Y294-N552 HydrophobicContact CE2-CB 4.28Å; Y294-N552 WeakPolarHBondContact CE2-OD1 3.28Å; R548-N552 VanDerWaalsContact O-CB 3.31Å; R548-N552 WeakPolarHBondContact O-CB 3.3Å; R548-N552 PolarHBondContact O-N 2.84Å; R548-N552 PolarHBondContact O-ND2 2.84Å; N552-D556 WeakPolarHBondContact CA-OD2 3.43Å; N552-D556 VanDerWaalsContact CG-OD2 3.29Å; N552-D556 PolarHBondContact OD1-OD2 3.06Å |
| 553 | R | 68.3 | Low | 75 | Confident | 80 Ų | 80 | 39.5 Ų | 39.5 | 30% | 0.302 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -85.9 | -46 | 175.3 | -179.4 | 64 | 66.1 | 72.5 | 7.2 | 113.3 | Y340 Y549 Y550 L551 | Y340-R553 PolarHBondContact O-NH2 3.42Å; Y549-R553 PolarHBondContact O-N 2.98Å; Y549-R553 PolarHBondContact OH-NH2 2.8Å; Y550-R553 PolarHBondContact O-N 2.82Å; L551-R553 PolarHBondContact O-N 2.93Å; L551-R553 VanDerWaalsContact O-N 3.09Å |
| 554 | F | 67.1 | Low | 76.1 | Confident | 87 Ų | 87 | 36 Ų | 36 | 38% | 0.382 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -119.9 | -22.6 | -162.5 | -62.3 | -71.9 | 0 | 0 | 0 | 115.8 | Y550 L551 Y558 | Y550-F554 AromaticContact CD2-CD2 3.56Å; Y550-F554 HydrophobicContact CD2-CD2 3.56Å; Y550-F554 AromaticContact CD2-CE2 3.96Å; Y550-F554 HydrophobicContact CD2-CE2 3.96Å; Y550-F554 AromaticContact CE2-CD2 3.5Å; Y550-F554 HydrophobicContact CE2-CD2 3.5Å; Y550-F554 VanDerWaalsContact CE2-CD2 3.5Å; Y550-F554 AromaticContact CE2-CE2 3.97Å; Y550-F554 HydrophobicContact CE2-CE2 3.97Å; Y550-F554 HydrophobicContact CE2-CG 4.29Å; Y550-F554 HydrophobicContact CG-CD2 4.27Å; Y550-F554 PolarHBondContact O-N 2.96Å; L551-F554 PolarHBondContact O-N 3.42Å; F554-Y558 WeakPolarHBondContact O-CD2 3.48Å; F554-Y558 WeakPolarHBondContact O-CE2 3.45Å |
| 555 | R | 73.9 | Confident | 77.1 | Confident | 63 Ų | 63 | 36.2 Ų | 36.2 | 24% | 0.238 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -117.4 | -29.1 | -174.8 | -76.7 | -175.7 | 58.8 | -148.5 | -8.6 | 114.5 | E165 K168 L551 A557 Y558 R559 | E165-R555 VanDerWaalsContact CD-NH2 3.31Å; E165-R555 IonicContact OE1-CZ 3.82Å; E165-R555 VanDerWaalsContact OE1-CZ 3.27Å; E165-R555 IonicContact OE1-NE 2.65Å; E165-R555 PolarHBondContact OE1-NE 3.12Å; E165-R555 IonicContact OE1-NH2 2.71Å; E165-R555 PolarHBondContact OE1-NH2 3.46Å; E165-R555 IonicContact OE2-CZ 2.62Å; E165-R555 IonicContact OE2-NE 3.27Å; E165-R555 PolarHBondContact OE2-NE 3.47Å; E165-R555 IonicContact OE2-NH2 3.57Å; E165-R555 PolarHBondContact OE2-NH2 3.5Å; K168-R555 VanDerWaalsContact CD-NH2 3.29Å; L551-R555 HydrophobicContact CD2-CB 3.89Å; L551-R555 HydrophobicContact CD2-CG 4.26Å; L551-R555 PolarHBondContact O-N 3.07Å; R555-A557 PolarHBondContact O-N 2.91Å; R555-A557 VanDerWaalsContact O-N 3.09Å; R555-Y558 PolarHBondContact O-N 3.14Å; R555-Y558 VanDerWaalsContact O-N 3.11Å; R555-R559 PolarHBondContact O-N 3.22Å |
| 556 | D | 81.1 | Confident | 78.3 | Confident | 4 Ų | 4 | 35.1 Ų | 35.1 | 2% | 0.021 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60 | -24.8 | -177.2 | -80.2 | 25.4 | 0 | 0 | 0 | 113.5 | M292 L551 N552 Q560 | M292-D556 HydrophobicContact CB-CB 3.88Å; M292-D556 HydrophobicContact CE-CB 4.38Å; M292-D556 VanDerWaalsContact CE-CG 3.46Å; M292-D556 WeakPolarHBondContact CE-OD1 3.19Å; M292-D556 WeakPolarHBondContact CE-OD2 3.44Å; M292-D556 HydrophobicContact CG-CB 3.99Å; M292-D556 WeakPolarHBondContact CG-O 3.31Å; L551-D556 WeakPolarHBondContact CB-OD1 3.36Å; L551-D556 PolarHBondContact O-N 3.22Å; N552-D556 WeakPolarHBondContact CA-OD2 3.43Å; N552-D556 VanDerWaalsContact CG-OD2 3.29Å; N552-D556 PolarHBondContact OD1-OD2 3.06Å; D556-Q560 VanDerWaalsContact O-CB 3.23Å; D556-Q560 WeakPolarHBondContact O-CB 3.26Å; D556-Q560 PolarHBondContact O-N 3.32Å |
| 557 | A | 80 | Confident | 79.6 | Confident | 14 Ų | 14 | 33.2 Ų | 33.2 | 12% | 0.116 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -74.1 | -45.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | R555 R559 Q560 A561 L575 I578 | R555-A557 PolarHBondContact O-N 2.91Å; R555-A557 VanDerWaalsContact O-N 3.09Å; A557-R559 VanDerWaalsContact C-N 3.33Å; A557-Q560 PolarHBondContact O-N 3.03Å; A557-A561 WeakPolarHBondContact O-CB 3.43Å; A557-A561 PolarHBondContact O-N 3.2Å; A557-L575 HydrophobicContact CB-CD2 4.35Å; A557-I578 HydrophobicContact CB-CD1 3.27Å |
| 558 | Y | 83.5 | Confident | 80.4 | Confident | 10 Ų | 10 | 31.2 Ų | 31.2 | 4% | 0.039 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -63.5 | -41.2 | 173.6 | -61.8 | -77.1 | 0 | 0 | 0 | 110.6 | L158 R161 L162 F554 R555 A561 V562 L575 F579 E582 | L158-Y558 HydrophobicContact CD1-CD1 4.27Å; L158-Y558 HydrophobicContact CD1-CE1 4.04Å; R161-Y558 HydrophobicContact CB-CD1 4.35Å; R161-Y558 HydrophobicContact CB-CE1 4.43Å; R161-Y558 PolarHBondContact NH1-OH 3.11Å; L162-Y558 HydrophobicContact CD2-CD1 4.13Å; F554-Y558 WeakPolarHBondContact O-CD2 3.48Å; F554-Y558 WeakPolarHBondContact O-CE2 3.45Å; R555-Y558 PolarHBondContact O-N 3.14Å; R555-Y558 VanDerWaalsContact O-N 3.11Å; Y558-A561 PolarHBondContact O-N 3.45Å; Y558-V562 WeakPolarHBondContact O-CG2 3.36Å; Y558-V562 PolarHBondContact O-N 3.16Å; Y558-L575 HydrophobicContact CD1-CD2 4.04Å; Y558-L575 HydrophobicContact CE1-CD2 4.14Å; Y558-F579 HydrophobicContact CE1-CE2 4.31Å; Y558-F579 AromaticContact CE1-CZ 3.98Å; Y558-F579 HydrophobicContact CE1-CZ 3.98Å; Y558-E582 PolarHBondContact OH-OE1 3.33Å |
| 559 | R | 87.6 | Confident | 80.9 | Confident | 15 Ų | 15 | 34.8 Ų | 34.8 | 6% | 0.057 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -65.4 | -38.9 | 173.8 | -179.2 | 166 | -76.3 | -151.1 | -9.1 | 112.8 | E165 K168 V169 M292 K515 R555 A557 V562 I563 | E165-R559 IonicContact OE2-NE 2.65Å; K168-R559 PolarHBondContact O-NH2 3.37Å; K168-R559 VanDerWaalsContact O-NH2 3.09Å; V169-R559 HydrophobicContact CG2-CG 3.89Å; M292-R559 HydrophobicContact CE-CG 4.49Å; M292-R559 HydrophobicContact CG-CB 4.43Å; M292-R559 HydrophobicContact CG-CG 4.26Å; M292-R559 HydrophobicContact SD-CB 4.44Å; M292-R559 VanDerWaalsContact SD-CD 3.52Å; M292-R559 HydrophobicContact SD-CG 3.74Å; K515-R559 PolarHBondContact O-NH1 3Å; R555-R559 PolarHBondContact O-N 3.22Å; A557-R559 VanDerWaalsContact C-N 3.33Å; R559-V562 PolarHBondContact O-N 3.46Å; R559-I563 HydrophobicContact CG-CD1 4.18Å; R559-I563 VanDerWaalsContact O-CG1 3.32Å; R559-I563 WeakPolarHBondContact O-CG1 3.34Å; R559-I563 PolarHBondContact O-N 3.49Å |
| 560 | Q | 88 | Confident | 81.3 | Confident | 8 Ų | 8 | 35.3 Ų | 35.3 | 4% | 0.037 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.8 | -44.3 | 172.8 | -175.4 | 66.7 | 51.7 | 0 | 0 | 111.3 | A290 K295 D556 A557 V562 I563 D564 | A290-Q560 PolarHBondContact O-NE2 3.23Å; A290-Q560 VanDerWaalsContact O-NE2 3.09Å; K295-Q560 HydrophobicContact CB-CG 4.32Å; D556-Q560 VanDerWaalsContact O-CB 3.23Å; D556-Q560 WeakPolarHBondContact O-CB 3.26Å; D556-Q560 PolarHBondContact O-N 3.32Å; A557-Q560 PolarHBondContact O-N 3.03Å; Q560-V562 PolarHBondContact O-N 3Å; Q560-I563 PolarHBondContact O-N 3.34Å; Q560-D564 PolarHBondContact NE2-OD1 3.03Å; Q560-D564 WeakPolarHBondContact O-CB 3.37Å; Q560-D564 VanDerWaalsContact O-CG 3.25Å; Q560-D564 PolarHBondContact O-N 3.08Å |
| 561 | A | 85.9 | Confident | 81.1 | Confident | 3 Ų | 3 | 30.5 Ų | 30.5 | 3% | 0.025 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.2 | -42.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L162 A557 Y558 I563 D564 L565 L575 | L162-A561 HydrophobicContact CD2-CB 4.1Å; A557-A561 WeakPolarHBondContact O-CB 3.43Å; A557-A561 PolarHBondContact O-N 3.2Å; Y558-A561 PolarHBondContact O-N 3.45Å; A561-I563 VanDerWaalsContact C-N 3.34Å; A561-I563 PolarHBondContact O-N 2.9Å; A561-D564 PolarHBondContact O-N 3.3Å; A561-L565 VanDerWaalsContact O-CB 3.32Å; A561-L565 WeakPolarHBondContact O-CB 3.41Å; A561-L565 WeakPolarHBondContact O-CD1 3.49Å; A561-L565 WeakPolarHBondContact O-CG 3.24Å; A561-L565 PolarHBondContact O-N 2.92Å; A561-L575 HydrophobicContact CB-CD1 3.43Å; A561-L575 VanDerWaalsContact CB-CD1 3.43Å; A561-L575 HydrophobicContact CB-CD2 4.43Å; A561-L575 HydrophobicContact CB-CG 3.89Å |
| 562 | V | 89 | Confident | 80.6 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -59.5 | -43.2 | 172.6 | 168.9 | 0 | 0 | 0 | 0 | 111.6 | L162 E165 L166 V169 Y558 R559 Q560 M566 | L162-V562 HydrophobicContact CB-CG2 4.31Å; L162-V562 HydrophobicContact CD2-CG2 4.02Å; L162-V562 WeakPolarHBondContact O-CG2 3.21Å; E165-V562 HydrophobicContact CB-CG2 4.08Å; L166-V562 HydrophobicContact CB-CG1 4.03Å; L166-V562 HydrophobicContact CD1-CG1 3.83Å; V169-V562 HydrophobicContact CG2-CG1 4.28Å; Y558-V562 WeakPolarHBondContact O-CG2 3.36Å; Y558-V562 PolarHBondContact O-N 3.16Å; R559-V562 PolarHBondContact O-N 3.46Å; Q560-V562 PolarHBondContact O-N 3Å; V562-M566 HydrophobicContact CG1-SD 4.37Å; V562-M566 VanDerWaalsContact O-CG 3.29Å; V562-M566 WeakPolarHBondContact O-CG 3.3Å; V562-M566 PolarHBondContact O-N 3.31Å |
| 563 | I | 90.3 | Very high | 79.8 | Confident | 4 Ų | 4 | 38.9 Ų | 38.9 | 2% | 0.021 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.4 | -50.6 | 175.6 | -69 | 164.5 | 0 | 0 | 0 | 110.6 | W212 A290 M292 R559 Q560 A561 L565 M566 M567 | W212-I563 HydrophobicContact CH2-CG2 4.18Å; W212-I563 HydrophobicContact CZ2-CG2 4.18Å; A290-I563 HydrophobicContact CB-CG2 3.98Å; M292-I563 HydrophobicContact SD-CD1 4.42Å; R559-I563 HydrophobicContact CG-CD1 4.18Å; R559-I563 VanDerWaalsContact O-CG1 3.32Å; R559-I563 WeakPolarHBondContact O-CG1 3.34Å; R559-I563 PolarHBondContact O-N 3.49Å; Q560-I563 PolarHBondContact O-N 3.34Å; A561-I563 VanDerWaalsContact C-N 3.34Å; A561-I563 PolarHBondContact O-N 2.9Å; I563-L565 VanDerWaalsContact C-N 3.31Å; I563-L565 PolarHBondContact O-N 3.4Å; I563-M566 PolarHBondContact O-N 3.08Å; I563-M567 WeakPolarHBondContact O-CG 3.38Å; I563-M567 PolarHBondContact O-N 3Å; I563-M567 VanDerWaalsContact O-N 3.11Å |
| 564 | D | 89.3 | Confident | 79.2 | Confident | 2 Ų | 2 | 38.2 Ų | 38.2 | 1% | 0.011 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -56.7 | -45.1 | 179.7 | -69.4 | -14.4 | 0 | 0 | 0 | 110.8 | R296 Q560 A561 M567 G568 L569 | R296-D564 IonicContact CZ-OD1 3.41Å; R296-D564 IonicContact CZ-OD2 3.04Å; R296-D564 IonicContact NE-OD1 3.56Å; R296-D564 IonicContact NH2-OD1 3.35Å; R296-D564 PolarHBondContact NH2-OD1 2.83Å; R296-D564 IonicContact NH2-OD2 3.57Å; R296-D564 PolarHBondContact NH2-OD2 2.95Å; Q560-D564 PolarHBondContact NE2-OD1 3.03Å; Q560-D564 WeakPolarHBondContact O-CB 3.37Å; Q560-D564 VanDerWaalsContact O-CG 3.25Å; Q560-D564 PolarHBondContact O-N 3.08Å; A561-D564 PolarHBondContact O-N 3.3Å; D564-M567 CarbonylContact O-C 3.54Å; D564-M567 WeakPolarHBondContact O-CB 3.46Å; D564-M567 PolarHBondContact O-N 3.05Å; D564-M567 VanDerWaalsContact O-N 3.13Å; D564-G568 PolarHBondContact O-N 3.17Å; D564-G568 VanDerWaalsContact O-N 3.16Å; D564-L569 HydrophobicContact CB-CB 4.08Å; D564-L569 WeakPolarHBondContact O-CB 3.2Å; D564-L569 PolarHBondContact O-N 3.19Å |
| 565 | L | 88.4 | Confident | 78.8 | Confident | 25 Ų | 25 | 34.3 Ų | 34.3 | 13% | 0.131 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.1 | -41.5 | 177.2 | -73.8 | 169.7 | 0 | 0 | 0 | 113.5 | I55 Q56 L57 L162 A561 I563 M567 G568 V571 | I55-L565 HydrophobicContact CD1-CB 4.36Å; I55-L565 HydrophobicContact CG1-CB 4.49Å; Q56-L565 WeakPolarHBondContact O-CD2 3.35Å; L57-L565 WeakPolarHBondContact O-CD1 3.45Å; L162-L565 HydrophobicContact CD1-CD1 4.48Å; A561-L565 VanDerWaalsContact O-CB 3.32Å; A561-L565 WeakPolarHBondContact O-CB 3.41Å; A561-L565 WeakPolarHBondContact O-CD1 3.49Å; A561-L565 WeakPolarHBondContact O-CG 3.24Å; A561-L565 PolarHBondContact O-N 2.92Å; I563-L565 VanDerWaalsContact C-N 3.31Å; I563-L565 PolarHBondContact O-N 3.4Å; L565-M567 PolarHBondContact O-N 3.04Å; L565-G568 PolarHBondContact O-N 3.46Å; L565-G568 VanDerWaalsContact O-N 3.14Å; L565-V571 HydrophobicContact CD1-CG2 3.96Å; L565-V571 HydrophobicContact CD2-CG2 3.67Å; L565-V571 HydrophobicContact CG-CG2 3.79Å |
| 566 | M | 90.1 | Very high | 77.9 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.4 | -33.5 | 173.1 | -72.2 | 178.8 | 79.4 | 0 | 0 | 111.8 | I55 L166 V169 F170 F176 W212 M216 V562 I563 G568 | I55-M566 HydrophobicContact CD1-CG 3.82Å; L166-M566 HydrophobicContact CD1-CG 4.46Å; L166-M566 HydrophobicContact CD1-SD 4.1Å; V169-M566 HydrophobicContact CG1-SD 4.35Å; F170-M566 HydrophobicContact CE2-CE 3.5Å; F170-M566 VanDerWaalsContact CE2-CE 3.5Å; F170-M566 HydrophobicContact CE2-SD 4.16Å; F170-M566 HydrophobicContact CZ-CE 3.46Å; F170-M566 VanDerWaalsContact CZ-CE 3.46Å; F176-M566 HydrophobicContact CE1-CE 4.47Å; F176-M566 HydrophobicContact CZ-CE 4.1Å; W212-M566 VanDerWaalsContact NE1-CE 3.35Å; M216-M566 HydrophobicContact SD-CB 4.2Å; M216-M566 HydrophobicContact SD-CE 3.71Å; M216-M566 HydrophobicContact SD-CG 4.07Å; V562-M566 HydrophobicContact CG1-SD 4.37Å; V562-M566 VanDerWaalsContact O-CG 3.29Å; V562-M566 WeakPolarHBondContact O-CG 3.3Å; V562-M566 PolarHBondContact O-N 3.31Å; I563-M566 PolarHBondContact O-N 3.08Å; M566-G568 VanDerWaalsContact C-N 3.33Å |
| 567 | M | 89.5 | Confident | 76.7 | Confident | 19 Ų | 19 | 38.2 Ų | 38.2 | 9% | 0.094 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -9.5 | 178.1 | -61.9 | -57.3 | 96.1 | 0 | 0 | 114.1 | W212 R287 I563 D564 L565 L569 | W212-M567 HydrophobicContact CD2-CE 3.75Å; W212-M567 VanDerWaalsContact CE2-CE 3.41Å; W212-M567 HydrophobicContact CE3-CE 4.42Å; W212-M567 HydrophobicContact CG-CE 3.97Å; W212-M567 HydrophobicContact CZ2-CE 3.85Å; W212-M567 VanDerWaalsContact O-CE 3.25Å; W212-M567 WeakPolarHBondContact O-CE 3.45Å; R287-M567 HydrophobicContact CB-SD 3.55Å; R287-M567 VanDerWaalsContact CB-SD 3.55Å; R287-M567 HydrophobicContact CG-SD 4.19Å; I563-M567 WeakPolarHBondContact O-CG 3.38Å; I563-M567 PolarHBondContact O-N 3Å; I563-M567 VanDerWaalsContact O-N 3.11Å; D564-M567 CarbonylContact O-C 3.54Å; D564-M567 WeakPolarHBondContact O-CB 3.46Å; D564-M567 PolarHBondContact O-N 3.05Å; D564-M567 VanDerWaalsContact O-N 3.13Å; L565-M567 PolarHBondContact O-N 3.04Å; M567-L569 VanDerWaalsContact C-N 3.35Å; M567-L569 HydrophobicContact CB-CD1 4.35Å; M567-L569 HydrophobicContact CB-CG 4.11Å |
| 568 | G | 86.3 | Confident | 75.6 | Confident | 35 Ų | 35 | 39 Ų | 39 | 36% | 0.361 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81 | 12.2 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | H215 D564 L565 M566 | H215-G568 WeakPolarHBondContact CE1-CA 3.2Å; H215-G568 WeakPolarHBondContact ND1-CA 3.24Å; H215-G568 PolarHBondContact ND1-N 3.19Å; H215-G568 WeakPolarHBondContact NE2-CA 3.43Å; D564-G568 PolarHBondContact O-N 3.17Å; D564-G568 VanDerWaalsContact O-N 3.16Å; L565-G568 PolarHBondContact O-N 3.46Å; L565-G568 VanDerWaalsContact O-N 3.14Å; M566-G568 VanDerWaalsContact C-N 3.33Å |
| 569 | L | 83.6 | Confident | 74.3 | Confident | 82 Ų | 82 | 41.5 Ų | 41.5 | 43% | 0.429 | 22% | 0.223 | S | C | . | . | P | Polyproline II helix | trans | -80.4 | 138.7 | 174.6 | -59.3 | 177.2 | 0 | 0 | 0 | 109.7 | D564 M567 | D564-L569 HydrophobicContact CB-CB 4.08Å; D564-L569 WeakPolarHBondContact O-CB 3.2Å; D564-L569 PolarHBondContact O-N 3.19Å; M567-L569 VanDerWaalsContact C-N 3.35Å; M567-L569 HydrophobicContact CB-CD1 4.35Å; M567-L569 HydrophobicContact CB-CG 4.11Å |
| 570 | P | 73.4 | Confident | 72.6 | Confident | 111 Ų | 111 | 44 Ų | 44 | 72% | 0.721 | 24% | 0.242 | S | C | * | . | P | Polyproline II helix | trans | -63.2 | 141.5 | 174.7 | 27.5 | -34.5 | 0 | 0 | 0 | 110.3 | T572 | P570-T572 PolarHBondContact O-N 2.88Å; P570-T572 VanDerWaalsContact O-N 3.11Å |
| 571 | V | 66.7 | Low | 71 | Confident | 29 Ų | 29 | 47.8 Ų | 47.8 | 18% | 0.176 | 26% | 0.259 | C | S | . | . | P | Polyproline II helix | trans | -55.3 | 118.1 | 173.7 | 167.2 | 0 | 0 | 0 | 0 | 109.3 | L565 L575 | L565-V571 HydrophobicContact CD1-CG2 3.96Å; L565-V571 HydrophobicContact CD2-CG2 3.67Å; L565-V571 HydrophobicContact CG-CG2 3.79Å; V571-L575 HydrophobicContact CG1-CB 3.89Å; V571-L575 HydrophobicContact CG1-CD1 3.76Å; V571-L575 HydrophobicContact CG1-CG 4.12Å |
| 572 | T | 60.6 | Low | 69.4 | Low | 57 Ų | 57 | 49.7 Ų | 49.7 | 35% | 0.35 | 27% | 0.267 | S | S | . | . | P | Polyproline II helix | trans | -62.9 | 144.2 | 176.8 | 45.2 | 0 | 0 | 0 | 0 | 111.1 | P570 D574 L575 | P570-T572 PolarHBondContact O-N 2.88Å; P570-T572 VanDerWaalsContact O-N 3.11Å; T572-D574 PolarHBondContact O-N 3.09Å; T572-L575 PolarHBondContact O-N 3.16Å |
| 573 | E | 53.9 | Low | 67.7 | Low | 168 Ų | 168 | 55.3 Ų | 55.3 | 79% | 0.785 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.4 | -20.9 | 177.7 | -59.3 | -172.6 | 145.8 | 0 | 0 | 113.6 | L575 Y576 S577 | E573-L575 PolarHBondContact O-N 2.81Å; E573-Y576 PolarHBondContact O-N 3.04Å; E573-S577 PolarHBondContact O-N 3.26Å |
| 574 | D | 54.3 | Low | 66 | Low | 67 Ų | 67 | 59.3 Ų | 59.3 | 36% | 0.358 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -47.1 | -40.3 | 172.7 | -138.8 | 28.9 | 0 | 0 | 0 | 112.8 | K295 T572 S577 I578 | K295-D574 IonicContact NZ-OD2 3.09Å; K295-D574 PolarHBondContact NZ-OD2 2.84Å; T572-D574 PolarHBondContact O-N 3.09Å; D574-S577 PolarHBondContact O-N 2.82Å; D574-S577 PolarHBondContact O-OG 2.77Å; D574-I578 WeakPolarHBondContact O-CB 3.32Å; D574-I578 WeakPolarHBondContact O-CD1 3.44Å; D574-I578 VanDerWaalsContact O-CG1 3.22Å; D574-I578 WeakPolarHBondContact O-CG1 3.27Å; D574-I578 PolarHBondContact O-N 3.48Å |
| 575 | L | 59.8 | Low | 64.1 | Low | 5 Ų | 5 | 63.5 Ų | 63.5 | 3% | 0.026 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -64.2 | -48.9 | 174.5 | -96.6 | -161.9 | 0 | 0 | 0 | 112.4 | L158 L162 A557 Y558 A561 V571 T572 E573 S577 I578 F579 | L158-L575 HydrophobicContact CD1-CD1 4.45Å; L162-L575 HydrophobicContact CD2-CD1 4.36Å; A557-L575 HydrophobicContact CB-CD2 4.35Å; Y558-L575 HydrophobicContact CD1-CD2 4.04Å; Y558-L575 HydrophobicContact CE1-CD2 4.14Å; A561-L575 HydrophobicContact CB-CD1 3.43Å; A561-L575 VanDerWaalsContact CB-CD1 3.43Å; A561-L575 HydrophobicContact CB-CD2 4.43Å; A561-L575 HydrophobicContact CB-CG 3.89Å; V571-L575 HydrophobicContact CG1-CB 3.89Å; V571-L575 HydrophobicContact CG1-CD1 3.76Å; V571-L575 HydrophobicContact CG1-CG 4.12Å; T572-L575 PolarHBondContact O-N 3.16Å; E573-L575 PolarHBondContact O-N 2.81Å; L575-S577 VanDerWaalsContact C-N 3.27Å; L575-S577 PolarHBondContact O-N 3.32Å; L575-I578 WeakPolarHBondContact O-CA 3.36Å; L575-I578 WeakPolarHBondContact O-CB 3.44Å; L575-I578 PolarHBondContact O-N 3.24Å; L575-F579 VanDerWaalsContact O-CD2 3.28Å; L575-F579 WeakPolarHBondContact O-CD2 3.41Å; L575-F579 PolarHBondContact O-N 3.3Å |
| 576 | Y | 55.4 | Low | 62.3 | Low | 121 Ų | 121 | 66.3 Ų | 66.3 | 48% | 0.475 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -60.6 | -40.4 | 176.3 | -69.7 | -79.7 | 0 | 0 | 0 | 111 | H58 E573 I578 F579 S580 | H58-Y576 AromaticContact CE1-CZ 3.86Å; H58-Y576 PolarHBondContact CE1-OH 3.14Å; H58-Y576 AromaticContact NE2-CZ 3.73Å; H58-Y576 PolarHBondContact NE2-OH 3.33Å; E573-Y576 PolarHBondContact O-N 3.04Å; Y576-I578 PolarHBondContact O-N 2.81Å; Y576-F579 PolarHBondContact O-N 2.85Å; Y576-S580 PolarHBondContact O-N 2.82Å; Y576-S580 VanDerWaalsContact O-N 3.11Å; Y576-S580 PolarHBondContact O-OG 3.41Å |
| 577 | S | 55.8 | Low | 60.6 | Low | 27 Ų | 27 | 70.9 Ų | 70.9 | 19% | 0.189 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -62.9 | -31.2 | 174.8 | 99.4 | 0 | 0 | 0 | 0 | 112.6 | E573 D574 L575 S580 K581 | E573-S577 PolarHBondContact O-N 3.26Å; D574-S577 PolarHBondContact O-N 2.82Å; D574-S577 PolarHBondContact O-OG 2.77Å; L575-S577 VanDerWaalsContact C-N 3.27Å; L575-S577 PolarHBondContact O-N 3.32Å; S577-S580 WeakPolarHBondContact O-CB 3.39Å; S577-S580 PolarHBondContact O-N 3.32Å; S577-K581 WeakPolarHBondContact O-CB 3.38Å; S577-K581 VanDerWaalsContact O-CD 3.23Å; S577-K581 WeakPolarHBondContact O-CD 2.78Å; S577-K581 WeakPolarHBondContact O-CG 3.31Å; S577-K581 PolarHBondContact O-N 2.88Å; S577-K581 PolarHBondContact OG-NZ 2.88Å |
| 578 | I | 55.6 | Low | 58.8 | Low | 32 Ų | 32 | 75.3 Ų | 75.3 | 16% | 0.164 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -75.1 | -32.3 | 176.8 | -75.6 | 166 | 0 | 0 | 0 | 111.2 | A557 D574 L575 Y576 K581 E582 | A557-I578 HydrophobicContact CB-CD1 3.27Å; D574-I578 WeakPolarHBondContact O-CB 3.32Å; D574-I578 WeakPolarHBondContact O-CD1 3.44Å; D574-I578 VanDerWaalsContact O-CG1 3.22Å; D574-I578 WeakPolarHBondContact O-CG1 3.27Å; D574-I578 PolarHBondContact O-N 3.48Å; L575-I578 WeakPolarHBondContact O-CA 3.36Å; L575-I578 WeakPolarHBondContact O-CB 3.44Å; L575-I578 PolarHBondContact O-N 3.24Å; Y576-I578 PolarHBondContact O-N 2.81Å; I578-K581 PolarHBondContact O-N 2.91Å; I578-E582 HydrophobicContact CG2-CG 4.33Å; I578-E582 WeakPolarHBondContact O-CB 2.87Å; I578-E582 PolarHBondContact O-N 3.31Å |
| 579 | F | 56.2 | Low | 57.1 | Low | 62 Ų | 62 | 78.1 Ų | 78.1 | 27% | 0.272 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -64.5 | -41.6 | 167.8 | -78.4 | -73.6 | 0 | 0 | 0 | 112.5 | L158 Y558 L575 Y576 K581 K583 | L158-F579 HydrophobicContact CB-CE2 4.42Å; L158-F579 HydrophobicContact CB-CZ 3.89Å; L158-F579 HydrophobicContact CD1-CE2 3.75Å; L158-F579 HydrophobicContact CD1-CZ 3.67Å; L158-F579 HydrophobicContact CD2-CE2 3.58Å; L158-F579 HydrophobicContact CD2-CZ 3.92Å; L158-F579 HydrophobicContact CG-CE2 4.12Å; L158-F579 HydrophobicContact CG-CZ 4.02Å; Y558-F579 HydrophobicContact CE1-CE2 4.31Å; Y558-F579 AromaticContact CE1-CZ 3.98Å; Y558-F579 HydrophobicContact CE1-CZ 3.98Å; L575-F579 VanDerWaalsContact O-CD2 3.28Å; L575-F579 WeakPolarHBondContact O-CD2 3.41Å; L575-F579 PolarHBondContact O-N 3.3Å; Y576-F579 PolarHBondContact O-N 2.85Å; F579-K581 VanDerWaalsContact C-N 3.31Å; F579-K581 PolarHBondContact O-N 3.28Å; F579-K583 WeakPolarHBondContact O-CB 3.43Å; F579-K583 PolarHBondContact O-N 2.77Å; F579-K583 VanDerWaalsContact O-N 3.08Å |
| 580 | S | 52.8 | Low | 55.6 | Low | 67 Ų | 67 | 79 Ų | 79 | 47% | 0.469 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -59 | -43 | 172 | -51.9 | 0 | 0 | 0 | 0 | 111.7 | Y576 S577 E584 | Y576-S580 PolarHBondContact O-N 2.82Å; Y576-S580 VanDerWaalsContact O-N 3.11Å; Y576-S580 PolarHBondContact O-OG 3.41Å; S577-S580 WeakPolarHBondContact O-CB 3.39Å; S577-S580 PolarHBondContact O-N 3.32Å; S580-E584 WeakPolarHBondContact O-CB 3.29Å; S580-E584 WeakPolarHBondContact O-CG 3.31Å; S580-E584 PolarHBondContact O-N 3.35Å |
| 581 | K | 53.4 | Low | 54.6 | Low | 87 Ų | 87 | 80.2 Ų | 80.2 | 38% | 0.378 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -80.9 | -34.1 | -175.6 | -67.7 | 159 | -167.7 | 160.1 | 0 | 114.3 | S577 I578 F579 K583 H585 | S577-K581 WeakPolarHBondContact O-CB 3.38Å; S577-K581 VanDerWaalsContact O-CD 3.23Å; S577-K581 WeakPolarHBondContact O-CD 2.78Å; S577-K581 WeakPolarHBondContact O-CG 3.31Å; S577-K581 PolarHBondContact O-N 2.88Å; S577-K581 PolarHBondContact OG-NZ 2.88Å; I578-K581 PolarHBondContact O-N 2.91Å; F579-K581 VanDerWaalsContact C-N 3.31Å; F579-K581 PolarHBondContact O-N 3.28Å; K581-K583 VanDerWaalsContact C-N 3.3Å; K581-H585 VanDerWaalsContact O-CB 3.3Å; K581-H585 WeakPolarHBondContact O-CB 3.34Å; K581-H585 PolarHBondContact O-N 3.02Å |
| 582 | E | 53.5 | Low | 53.9 | Low | 43 Ų | 43 | 82.9 Ų | 82.9 | 20% | 0.201 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -59.1 | -46.7 | 167.2 | -87.5 | -173.3 | -156.4 | 0 | 0 | 109 | R161 Y558 I578 H585 E586 | R161-E582 IonicContact CZ-OE2 2.77Å; R161-E582 IonicContact NH1-OE1 2.84Å; R161-E582 IonicContact NH1-OE2 2.85Å; R161-E582 PolarHBondContact NH1-OE2 3.13Å; R161-E582 IonicContact NH2-OE2 3.23Å; R161-E582 PolarHBondContact NH2-OE2 3.06Å; R161-E582 VanDerWaalsContact NH2-OE2 3.09Å; Y558-E582 PolarHBondContact OH-OE1 3.33Å; I578-E582 HydrophobicContact CG2-CG 4.33Å; I578-E582 WeakPolarHBondContact O-CB 2.87Å; I578-E582 PolarHBondContact O-N 3.31Å; E582-H585 PolarHBondContact O-N 3.06Å; E582-E586 PolarHBondContact O-N 3.42Å |
| 583 | K | 52.5 | Low | 53.3 | Low | 119 Ų | 119 | 85.9 Ų | 85.9 | 52% | 0.517 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -64.7 | -47.4 | 178.2 | -175.9 | -172.1 | 163.2 | -160 | 0 | 112.1 | F579 K581 H585 E586 E587 | F579-K583 WeakPolarHBondContact O-CB 3.43Å; F579-K583 PolarHBondContact O-N 2.77Å; F579-K583 VanDerWaalsContact O-N 3.08Å; K581-K583 VanDerWaalsContact C-N 3.3Å; K583-H585 PolarHBondContact O-N 3.44Å; K583-E586 PolarHBondContact O-N 3.46Å; K583-E587 WeakPolarHBondContact CE-OE1 3.41Å; K583-E587 HydrophobicContact CG-CG 4.5Å; K583-E587 IonicContact NZ-OE1 3.19Å; K583-E587 VanDerWaalsContact O-CB 3.31Å; K583-E587 WeakPolarHBondContact O-CB 3.42Å; K583-E587 VanDerWaalsContact O-CG 3.29Å; K583-E587 WeakPolarHBondContact O-CG 3.04Å; K583-E587 PolarHBondContact O-N 3.36Å |
| 584 | E | 54.5 | Low | 53.3 | Low | 88 Ų | 88 | 86.1 Ų | 86.1 | 41% | 0.411 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -58.5 | -35.6 | 172.9 | -83.3 | -174.9 | -128.2 | 0 | 0 | 112.4 | S580 K588 | S580-E584 WeakPolarHBondContact O-CB 3.29Å; S580-E584 WeakPolarHBondContact O-CG 3.31Å; S580-E584 PolarHBondContact O-N 3.35Å; E584-K588 VanDerWaalsContact O-CB 3.22Å; E584-K588 WeakPolarHBondContact O-CB 3.18Å; E584-K588 WeakPolarHBondContact O-CD 3.45Å; E584-K588 WeakPolarHBondContact O-CG 3.22Å; E584-K588 PolarHBondContact O-N 2.92Å; E584-K588 IonicContact OE2-NZ 2.78Å; E584-K588 PolarHBondContact OE2-NZ 3.25Å |
| 585 | H | 50.3 | Low | 53 | Low | 90 Ų | 90 | 84.3 Ų | 84.3 | 42% | 0.417 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -73.4 | -43.4 | 178 | -163.9 | -74.7 | 0 | 0 | 0 | 111.4 | K581 E582 K583 E587 K588 E589 | K581-H585 VanDerWaalsContact O-CB 3.3Å; K581-H585 WeakPolarHBondContact O-CB 3.34Å; K581-H585 PolarHBondContact O-N 3.02Å; E582-H585 PolarHBondContact O-N 3.06Å; K583-H585 PolarHBondContact O-N 3.44Å; H585-E587 VanDerWaalsContact C-N 3.27Å; H585-E587 PolarHBondContact O-N 3.27Å; H585-K588 PolarHBondContact O-N 3.3Å; H585-E589 IonicContact CE1-OE1 2.71Å; H585-E589 IonicContact CE1-OE2 3.74Å; H585-E589 PolarHBondContact CE1-OE2 3.05Å; H585-E589 VanDerWaalsContact ND1-CD 3.28Å; H585-E589 IonicContact ND1-OE1 3.61Å; H585-E589 IonicContact ND1-OE2 3.99Å; H585-E589 PolarHBondContact ND1-OE2 3.29Å; H585-E589 WeakPolarHBondContact O-CB 3.35Å; H585-E589 WeakPolarHBondContact O-CG 3.41Å; H585-E589 PolarHBondContact O-N 2.96Å |
| 586 | E | 51 | Low | 52.3 | Low | 84 Ų | 84 | 86.4 Ų | 86.4 | 39% | 0.393 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -58.9 | -39.3 | 170.7 | -89.8 | -161.6 | -145.2 | 0 | 0 | 111.5 | E582 K583 K590 | E582-E586 PolarHBondContact O-N 3.42Å; K583-E586 PolarHBondContact O-N 3.46Å; E586-K590 WeakPolarHBondContact O-CB 3.39Å; E586-K590 WeakPolarHBondContact O-CD 3.13Å; E586-K590 WeakPolarHBondContact O-CE 3.41Å; E586-K590 WeakPolarHBondContact O-CG 3.17Å; E586-K590 PolarHBondContact O-N 3.42Å; E586-K590 IonicContact OE2-NZ 3.63Å; E586-K590 PolarHBondContact OE2-NZ 3.41Å |
| 587 | E | 53.7 | Low | 51.9 | Low | 95 Ų | 95 | 87.2 Ų | 87.2 | 44% | 0.444 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -70.6 | -44 | 177.8 | -74.1 | 170.3 | 169 | 0 | 0 | 110.9 | K583 H585 K590 E591 | K583-E587 WeakPolarHBondContact CE-OE1 3.41Å; K583-E587 HydrophobicContact CG-CG 4.5Å; K583-E587 IonicContact NZ-OE1 3.19Å; K583-E587 VanDerWaalsContact O-CB 3.31Å; K583-E587 WeakPolarHBondContact O-CB 3.42Å; K583-E587 VanDerWaalsContact O-CG 3.29Å; K583-E587 WeakPolarHBondContact O-CG 3.04Å; K583-E587 PolarHBondContact O-N 3.36Å; H585-E587 VanDerWaalsContact C-N 3.27Å; H585-E587 PolarHBondContact O-N 3.27Å; E587-K590 PolarHBondContact O-N 2.87Å; E587-E591 VanDerWaalsContact O-CB 3.25Å; E587-E591 WeakPolarHBondContact O-CB 3.25Å; E587-E591 PolarHBondContact O-N 3.49Å |
| 588 | K | 52.6 | Low | 51.7 | Low | 112 Ų | 112 | 92.4 Ų | 92.4 | 49% | 0.487 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -68.1 | -30.5 | 174.6 | -74.5 | 162 | -176.4 | 163.3 | 0 | 113.5 | E584 H585 S592 | E584-K588 VanDerWaalsContact O-CB 3.22Å; E584-K588 WeakPolarHBondContact O-CB 3.18Å; E584-K588 WeakPolarHBondContact O-CD 3.45Å; E584-K588 WeakPolarHBondContact O-CG 3.22Å; E584-K588 PolarHBondContact O-N 2.92Å; E584-K588 IonicContact OE2-NZ 2.78Å; E584-K588 PolarHBondContact OE2-NZ 3.25Å; H585-K588 PolarHBondContact O-N 3.3Å; K588-S592 WeakPolarHBondContact O-CB 3.3Å; K588-S592 PolarHBondContact O-N 3.04Å |
| 589 | E | 48.9 | Very low | 51.2 | Low | 94 Ų | 94 | 97.8 Ų | 97.8 | 44% | 0.439 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -72.5 | -39.5 | 171.5 | -80.5 | -178.5 | 126.3 | 0 | 0 | 111.4 | H585 S592 Q593 | H585-E589 IonicContact CE1-OE1 2.71Å; H585-E589 IonicContact CE1-OE2 3.74Å; H585-E589 PolarHBondContact CE1-OE2 3.05Å; H585-E589 VanDerWaalsContact ND1-CD 3.28Å; H585-E589 IonicContact ND1-OE1 3.61Å; H585-E589 IonicContact ND1-OE2 3.99Å; H585-E589 PolarHBondContact ND1-OE2 3.29Å; H585-E589 WeakPolarHBondContact O-CB 3.35Å; H585-E589 WeakPolarHBondContact O-CG 3.41Å; H585-E589 PolarHBondContact O-N 2.96Å; E589-S592 PolarHBondContact O-N 2.91Å; E589-Q593 VanDerWaalsContact O-CB 3.24Å; E589-Q593 WeakPolarHBondContact O-CB 3.48Å; E589-Q593 WeakPolarHBondContact O-CG 3.28Å; E589-Q593 PolarHBondContact O-N 3.23Å |
| 590 | K | 51.8 | Low | 50.8 | Low | 101 Ų | 101 | 98.4 Ų | 98.4 | 44% | 0.439 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67.6 | -35.6 | 173.3 | -70 | 159.6 | -159.5 | 163.7 | 0 | 111.9 | E586 E587 R594 | E586-K590 WeakPolarHBondContact O-CB 3.39Å; E586-K590 WeakPolarHBondContact O-CD 3.13Å; E586-K590 WeakPolarHBondContact O-CE 3.41Å; E586-K590 WeakPolarHBondContact O-CG 3.17Å; E586-K590 PolarHBondContact O-N 3.42Å; E586-K590 IonicContact OE2-NZ 3.63Å; E586-K590 PolarHBondContact OE2-NZ 3.41Å; E587-K590 PolarHBondContact O-N 2.87Å; K590-R594 WeakPolarHBondContact O-CB 3.1Å; K590-R594 WeakPolarHBondContact O-CG 3.38Å; K590-R594 PolarHBondContact O-N 3.4Å |
| 591 | E | 53.3 | Low | 50.3 | Low | 136 Ų | 136 | 96.9 Ų | 96.9 | 64% | 0.636 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -71.1 | -42.4 | 174.8 | -172.7 | 169.8 | -123.3 | 0 | 0 | 111.8 | E587 R594 G595 | E587-E591 VanDerWaalsContact O-CB 3.25Å; E587-E591 WeakPolarHBondContact O-CB 3.25Å; E587-E591 PolarHBondContact O-N 3.49Å; E591-R594 PolarHBondContact O-N 3.48Å; E591-G595 PolarHBondContact O-N 3.11Å |
| 592 | S | 52.2 | Low | 50.2 | Low | 85 Ų | 85 | 98.1 Ų | 98.1 | 59% | 0.594 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -66 | -37.5 | 172.6 | -177.4 | 0 | 0 | 0 | 0 | 112.3 | K588 E589 A596 | K588-S592 WeakPolarHBondContact O-CB 3.3Å; K588-S592 PolarHBondContact O-N 3.04Å; E589-S592 PolarHBondContact O-N 2.91Å; S592-A596 WeakPolarHBondContact O-CB 3.24Å; S592-A596 PolarHBondContact O-N 3.32Å |
| 593 | Q | 47.1 | Very low | 49.7 | Very low | 121 Ų | 121 | 101 Ų | 101 | 57% | 0.565 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.5 | -44 | 171.6 | -76.3 | 167.8 | 18.3 | 0 | 0 | 111.3 | E589 A596 Q597 | E589-Q593 VanDerWaalsContact O-CB 3.24Å; E589-Q593 WeakPolarHBondContact O-CB 3.48Å; E589-Q593 WeakPolarHBondContact O-CG 3.28Å; E589-Q593 PolarHBondContact O-N 3.23Å; Q593-A596 PolarHBondContact O-N 2.78Å; Q593-Q597 WeakPolarHBondContact O-CB 3.13Å; Q593-Q597 PolarHBondContact O-N 3.16Å |
| 594 | R | 54.5 | Low | 49.4 | Very low | 173 Ų | 173 | 99 Ų | 99 | 65% | 0.653 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -60 | -52.7 | 173.1 | -81.4 | 176 | 170.4 | -174.9 | -5.9 | 112.2 | K590 E591 A596 Q597 E598 | K590-R594 WeakPolarHBondContact O-CB 3.1Å; K590-R594 WeakPolarHBondContact O-CG 3.38Å; K590-R594 PolarHBondContact O-N 3.4Å; E591-R594 PolarHBondContact O-N 3.48Å; R594-A596 VanDerWaalsContact C-N 3.29Å; R594-A596 PolarHBondContact O-N 2.7Å; R594-Q597 CarbonylContact O-C 3.53Å; R594-Q597 WeakPolarHBondContact O-CA 3.2Å; R594-Q597 PolarHBondContact O-N 2.73Å; R594-E598 WeakPolarHBondContact O-CB 3.36Å; R594-E598 WeakPolarHBondContact O-CG 3.49Å; R594-E598 PolarHBondContact O-N 3.48Å |
| 595 | G | 47.9 | Very low | 49.1 | Very low | 29 Ų | 29 | 100.7 Ų | 100.7 | 30% | 0.299 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.9 | -38 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | E591 Q599 | E591-G595 PolarHBondContact O-N 3.11Å; G595-Q599 WeakPolarHBondContact O-CB 3.18Å; G595-Q599 VanDerWaalsContact O-CG 3.32Å; G595-Q599 WeakPolarHBondContact O-CG 3.34Å; G595-Q599 PolarHBondContact O-N 2.92Å |
| 596 | A | 46.4 | Very low | 49 | Very low | 48 Ų | 48 | 99.7 Ų | 99.7 | 40% | 0.397 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -67.9 | -37.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | S592 Q593 R594 V600 | S592-A596 WeakPolarHBondContact O-CB 3.24Å; S592-A596 PolarHBondContact O-N 3.32Å; Q593-A596 PolarHBondContact O-N 2.78Å; R594-A596 VanDerWaalsContact C-N 3.29Å; R594-A596 PolarHBondContact O-N 2.7Å; A596-V600 VanDerWaalsContact O-CB 3.3Å; A596-V600 WeakPolarHBondContact O-CB 3.34Å; A596-V600 WeakPolarHBondContact O-CG2 3.44Å; A596-V600 PolarHBondContact O-N 2.73Å |
| 597 | Q | 46.1 | Very low | 49 | Very low | 138 Ų | 138 | 102 Ų | 102 | 65% | 0.645 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -73.7 | -34.9 | 179.1 | -168.4 | 165.1 | 2.3 | 0 | 0 | 112.1 | Q593 R594 G601 | Q593-Q597 WeakPolarHBondContact O-CB 3.13Å; Q593-Q597 PolarHBondContact O-N 3.16Å; R594-Q597 CarbonylContact O-C 3.53Å; R594-Q597 WeakPolarHBondContact O-CA 3.2Å; R594-Q597 PolarHBondContact O-N 2.73Å; Q597-G601 PolarHBondContact O-N 2.76Å |
| 598 | E | 51.4 | Low | 48.9 | Very low | 136 Ų | 136 | 100.9 Ų | 100.9 | 64% | 0.636 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -67.4 | -45.1 | 170.2 | -72.3 | 165.5 | -162 | 0 | 0 | 111.2 | R594 G601 L602 | R594-E598 WeakPolarHBondContact O-CB 3.36Å; R594-E598 WeakPolarHBondContact O-CG 3.49Å; R594-E598 PolarHBondContact O-N 3.48Å; E598-G601 PolarHBondContact O-N 2.8Å; E598-L602 WeakPolarHBondContact O-CB 3.44Å; E598-L602 PolarHBondContact O-N 3.5Å |
| 599 | Q | 46.2 | Very low | 48.8 | Very low | 145 Ų | 145 | 103 Ų | 103 | 68% | 0.678 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.6 | -42.8 | 173.3 | -79.3 | -175.4 | -20.2 | 0 | 0 | 112.4 | G595 L602 L603 | G595-Q599 WeakPolarHBondContact O-CB 3.18Å; G595-Q599 VanDerWaalsContact O-CG 3.32Å; G595-Q599 WeakPolarHBondContact O-CG 3.34Å; G595-Q599 PolarHBondContact O-N 2.92Å; Q599-L602 PolarHBondContact O-N 2.83Å; Q599-L603 WeakPolarHBondContact O-CB 3.32Å; Q599-L603 PolarHBondContact O-N 2.62Å |
| 600 | V | 47.5 | Very low | 49.1 | Very low | 75 Ų | 75 | 104.6 Ų | 104.6 | 46% | 0.455 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65 | -38.9 | 175.5 | 165.1 | 0 | 0 | 0 | 0 | 111.2 | A596 L603 L604 | A596-V600 VanDerWaalsContact O-CB 3.3Å; A596-V600 WeakPolarHBondContact O-CB 3.34Å; A596-V600 WeakPolarHBondContact O-CG2 3.44Å; A596-V600 PolarHBondContact O-N 2.73Å; V600-L603 PolarHBondContact O-N 3.08Å; V600-L604 HydrophobicContact CG1-CD1 4.13Å; V600-L604 WeakPolarHBondContact O-CB 3.3Å; V600-L604 PolarHBondContact O-N 3.37Å |
| 601 | G | 41.3 | Very low | 49.2 | Very low | 35 Ų | 35 | 103.8 Ų | 103.8 | 36% | 0.361 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.6 | -48.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q597 E598 L603 L604 Q605 | Q597-G601 PolarHBondContact O-N 2.76Å; E598-G601 PolarHBondContact O-N 2.8Å; G601-L603 VanDerWaalsContact C-N 3.31Å; G601-L603 PolarHBondContact O-N 2.65Å; G601-L604 PolarHBondContact O-N 3.17Å; G601-Q605 WeakPolarHBondContact O-CB 3.21Å; G601-Q605 PolarHBondContact O-N 3.03Å |
| 602 | L | 50.7 | Low | 49.5 | Very low | 114 Ų | 114 | 99 Ų | 99 | 60% | 0.597 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.2 | -38 | 177.8 | -164 | 75.1 | 0 | 0 | 0 | 112 | E598 Q599 T606 | E598-L602 WeakPolarHBondContact O-CB 3.44Å; E598-L602 PolarHBondContact O-N 3.5Å; Q599-L602 PolarHBondContact O-N 2.83Å; L602-T606 WeakPolarHBondContact O-CB 3.45Å; L602-T606 PolarHBondContact O-N 2.81Å; L602-T606 PolarHBondContact O-OG1 3.29Å |
| 603 | L | 44.1 | Very low | 50 | Low | 103 Ų | 103 | 99.4 Ų | 99.4 | 54% | 0.539 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -70.7 | -42.7 | 177.7 | -166.3 | 153.4 | 0 | 0 | 0 | 111.2 | Q599 V600 G601 T606 Y607 | Q599-L603 WeakPolarHBondContact O-CB 3.32Å; Q599-L603 PolarHBondContact O-N 2.62Å; V600-L603 PolarHBondContact O-N 3.08Å; G601-L603 VanDerWaalsContact C-N 3.31Å; G601-L603 PolarHBondContact O-N 2.65Å; L603-T606 PolarHBondContact O-N 3.23Å; L603-Y607 HydrophobicContact CD2-CD2 3.62Å; L603-Y607 HydrophobicContact CD2-CE2 3.63Å; L603-Y607 HydrophobicContact CG-CD2 4.17Å; L603-Y607 HydrophobicContact CG-CE2 4.11Å; L603-Y607 WeakPolarHBondContact O-CD2 3.44Å; L603-Y607 PolarHBondContact O-N 2.81Å |
| 604 | L | 46.2 | Very low | 50.5 | Low | 77 Ų | 77 | 101.8 Ų | 101.8 | 40% | 0.403 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -56.3 | -51.5 | 170.4 | -98 | 161.1 | 0 | 0 | 0 | 111.2 | V600 G601 T606 Y607 M608 | V600-L604 HydrophobicContact CG1-CD1 4.13Å; V600-L604 WeakPolarHBondContact O-CB 3.3Å; V600-L604 PolarHBondContact O-N 3.37Å; G601-L604 PolarHBondContact O-N 3.17Å; L604-T606 VanDerWaalsContact C-N 3.28Å; L604-T606 PolarHBondContact O-N 3.39Å; L604-Y607 PolarHBondContact O-N 2.9Å; L604-Y607 VanDerWaalsContact O-N 3.13Å; L604-M608 WeakPolarHBondContact O-CB 3.34Å; L604-M608 VanDerWaalsContact O-CG 3.23Å; L604-M608 WeakPolarHBondContact O-CG 3.19Å; L604-M608 PolarHBondContact O-N 2.82Å |
| 605 | Q | 47.8 | Very low | 51.1 | Low | 124 Ų | 124 | 98.4 Ų | 98.4 | 58% | 0.579 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -58.7 | -39.5 | 179.7 | -168.5 | 173.7 | 18.9 | 0 | 0 | 112.1 | G601 Q609 | G601-Q605 WeakPolarHBondContact O-CB 3.21Å; G601-Q605 PolarHBondContact O-N 3.03Å; Q605-Q609 PolarHBondContact O-N 3.18Å |
| 606 | T | 48.5 | Very low | 52.3 | Low | 69 Ų | 69 | 97.7 Ų | 97.7 | 42% | 0.423 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67.1 | -42.5 | 175.5 | -54.8 | 0 | 0 | 0 | 0 | 112.1 | L602 L603 L604 Q609 L610 | L602-T606 WeakPolarHBondContact O-CB 3.45Å; L602-T606 PolarHBondContact O-N 2.81Å; L602-T606 PolarHBondContact O-OG1 3.29Å; L603-T606 PolarHBondContact O-N 3.23Å; L604-T606 VanDerWaalsContact C-N 3.28Å; L604-T606 PolarHBondContact O-N 3.39Å; T606-Q609 PolarHBondContact O-N 3.36Å; T606-L610 HydrophobicContact CG2-CD1 4.19Å; T606-L610 WeakPolarHBondContact O-CD1 3.42Å; T606-L610 WeakPolarHBondContact O-CG 3.47Å; T606-L610 PolarHBondContact O-N 2.95Å |
| 607 | Y | 51.5 | Low | 53.6 | Low | 132 Ų | 132 | 99.2 Ų | 99.2 | 52% | 0.518 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -69.6 | -34.8 | 177.5 | -90.7 | -108.2 | 0 | 0 | 0 | 112.3 | L603 L604 Q609 L610 L611 | L603-Y607 HydrophobicContact CD2-CD2 3.62Å; L603-Y607 HydrophobicContact CD2-CE2 3.63Å; L603-Y607 HydrophobicContact CG-CD2 4.17Å; L603-Y607 HydrophobicContact CG-CE2 4.11Å; L603-Y607 WeakPolarHBondContact O-CD2 3.44Å; L603-Y607 PolarHBondContact O-N 2.81Å; L604-Y607 PolarHBondContact O-N 2.9Å; L604-Y607 VanDerWaalsContact O-N 3.13Å; Y607-Q609 VanDerWaalsContact C-N 3.31Å; Y607-Q609 PolarHBondContact O-N 3.3Å; Y607-L610 PolarHBondContact O-N 3.28Å; Y607-L611 HydrophobicContact CD1-CD1 4.16Å; Y607-L611 PolarHBondContact O-N 3.15Å |
| 608 | M | 50 | Low | 55 | Low | 71 Ų | 71 | 96.3 Ų | 96.3 | 35% | 0.35 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.7 | -38.1 | 175.2 | -71.4 | 167.4 | 69.4 | 0 | 0 | 111.9 | L604 L610 F618 | L604-M608 WeakPolarHBondContact O-CB 3.34Å; L604-M608 VanDerWaalsContact O-CG 3.23Å; L604-M608 WeakPolarHBondContact O-CG 3.19Å; L604-M608 PolarHBondContact O-N 2.82Å; M608-L610 PolarHBondContact O-N 3.36Å; M608-F618 HydrophobicContact CE-CB 4.05Å; M608-F618 HydrophobicContact CE-CD1 3.48Å; M608-F618 VanDerWaalsContact CE-CD1 3.48Å; M608-F618 HydrophobicContact CE-CD2 4.43Å; M608-F618 HydrophobicContact CE-CE1 3.94Å; M608-F618 HydrophobicContact CE-CG 3.73Å |
| 609 | Q | 52 | Low | 56 | Low | 158 Ų | 158 | 94 Ų | 94 | 74% | 0.738 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -72.3 | -7.5 | 171.6 | -71.7 | -170.5 | -43.8 | 0 | 0 | 114.7 | Q605 T606 Y607 | Q605-Q609 PolarHBondContact O-N 3.18Å; T606-Q609 PolarHBondContact O-N 3.36Å; Y607-Q609 VanDerWaalsContact C-N 3.31Å; Y607-Q609 PolarHBondContact O-N 3.3Å |
| 610 | L | 54.6 | Low | 57.2 | Low | 127 Ų | 127 | 87.4 Ų | 87.4 | 67% | 0.665 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -110 | -17 | -178.2 | -74.4 | 168.3 | 0 | 0 | 0 | 114.1 | T606 Y607 M608 | T606-L610 HydrophobicContact CG2-CD1 4.19Å; T606-L610 WeakPolarHBondContact O-CD1 3.42Å; T606-L610 WeakPolarHBondContact O-CG 3.47Å; T606-L610 PolarHBondContact O-N 2.95Å; Y607-L610 PolarHBondContact O-N 3.28Å; M608-L610 PolarHBondContact O-N 3.36Å |
| 611 | L | 53.5 | Low | 58.6 | Low | 84 Ų | 84 | 85.1 Ų | 85.1 | 44% | 0.44 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -99.4 | -25.6 | -177.5 | -94.4 | 135.9 | 0 | 0 | 0 | 114.1 | Y607 L644 | Y607-L611 HydrophobicContact CD1-CD1 4.16Å; Y607-L611 PolarHBondContact O-N 3.15Å; L611-L644 HydrophobicContact CD2-CD1 4.37Å |
| 612 | L | 60.5 | Low | 60.5 | Low | 34 Ų | 34 | 85.8 Ų | 85.8 | 18% | 0.178 | 44% | 0.439 | C | S | . | . | S | Bend | trans | -92.1 | 159.6 | 178.1 | -64.2 | 171.7 | 0 | 0 | 0 | 111.2 | E616 F618 Y651 | L612-E616 HydrophobicContact CD2-CB 4.48Å; L612-F618 HydrophobicContact CD1-CB 3.84Å; L612-F618 HydrophobicContact CD1-CD2 4.29Å; L612-Y651 HydrophobicContact CD2-CE2 3.85Å |
| 613 | L | 62.3 | Low | 61.7 | Low | 94 Ų | 94 | 82.1 Ų | 82.1 | 49% | 0.492 | 43% | 0.425 | S | S | . | . | trans | -76.2 | 151.5 | 164.3 | -70.3 | 164.9 | 0 | 0 | 0 | 109 | D615 E616 | L613-D615 PolarHBondContact O-N 3.32Å; L613-E616 HydrophobicContact CB-CG 4.34Å; L613-E616 PolarHBondContact O-N 2.92Å | ||
| 614 | D | 58.2 | Low | 63.6 | Low | 172 Ų | 172 | 77.3 Ų | 77.3 | 92% | 0.92 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -7.6 | -174.3 | -62 | -65.2 | 0 | 0 | 0 | 114 | ||
| 615 | D | 66.3 | Low | 65.3 | Low | 102 Ų | 102 | 73.9 Ų | 73.9 | 55% | 0.545 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112 | 1.9 | 176.5 | 75.1 | -64.3 | 0 | 0 | 0 | 115 | L613 K648 | L613-D615 PolarHBondContact O-N 3.32Å; D615-K648 PolarHBondContact O-NZ 3.46Å; D615-K648 IonicContact OD2-NZ 2.83Å; D615-K648 PolarHBondContact OD2-NZ 3.32Å |
| 616 | E | 73.7 | Confident | 67 | Low | 14 Ų | 14 | 69.9 Ų | 69.9 | 7% | 0.065 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -101.4 | 133.7 | 178.2 | -71.9 | -164.9 | -149.2 | 0 | 0 | 112.4 | L612 L613 S646 K648 Y651 R667 | L612-E616 HydrophobicContact CD2-CB 4.48Å; L613-E616 HydrophobicContact CB-CG 4.34Å; L613-E616 PolarHBondContact O-N 2.92Å; E616-S646 VanDerWaalsContact OE2-CB 3.27Å; E616-S646 WeakPolarHBondContact OE2-CB 3.32Å; E616-S646 PolarHBondContact OE2-OG 3.29Å; E616-K648 HydrophobicContact CG-CD 4.18Å; E616-Y651 PolarHBondContact OE2-OH 3.31Å; E616-R667 IonicContact OE1-CZ 3.89Å; E616-R667 VanDerWaalsContact OE1-CZ 3.23Å; E616-R667 IonicContact OE1-NE 2.89Å; E616-R667 PolarHBondContact OE1-NE 3.3Å; E616-R667 IonicContact OE1-NH2 3.42Å; E616-R667 PolarHBondContact OE1-NH2 3Å |
| 617 | T | 74.3 | Confident | 68.2 | Low | 79 Ų | 79 | 68.1 Ų | 68.1 | 49% | 0.485 | 36% | 0.355 | S | S | . | . | P | Polyproline II helix | trans | -101.8 | 130.9 | 178.5 | 58.1 | 0 | 0 | 0 | 0 | 111.9 | S646 D647 | T617-S646 CarbonylContact O-C 3.6Å; T617-S646 WeakPolarHBondContact O-CA 3.3Å; T617-S646 WeakPolarHBondContact O-CB 3.38Å; T617-D647 PolarHBondContact N-OD1 3.47Å; T617-D647 PolarHBondContact O-N 2.98Å; T617-D647 WeakPolarHBondContact OG1-CB 3.36Å; T617-D647 PolarHBondContact OG1-OD1 2.86Å |
| 618 | F | 74.6 | Confident | 69.1 | Low | 78 Ų | 78 | 63.6 Ų | 63.6 | 34% | 0.342 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 133.1 | -179 | -171.5 | -103.6 | 0 | 0 | 0 | 113.1 | M608 L612 G620 L644 | M608-F618 HydrophobicContact CE-CB 4.05Å; M608-F618 HydrophobicContact CE-CD1 3.48Å; M608-F618 VanDerWaalsContact CE-CD1 3.48Å; M608-F618 HydrophobicContact CE-CD2 4.43Å; M608-F618 HydrophobicContact CE-CE1 3.94Å; M608-F618 HydrophobicContact CE-CG 3.73Å; L612-F618 HydrophobicContact CD1-CB 3.84Å; L612-F618 HydrophobicContact CD1-CD2 4.29Å; F618-G620 WeakPolarHBondContact CE2-O 3.29Å; F618-G620 WeakPolarHBondContact CZ-O 3.46Å; F618-L644 HydrophobicContact CE2-CB 4.35Å; F618-L644 HydrophobicContact CE2-CD2 4.2Å |
| 619 | H | 73.5 | Confident | 69.5 | Low | 86 Ų | 86 | 63.9 Ų | 63.9 | 40% | 0.398 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | -35.5 | 174.6 | -69.3 | 164.6 | 0 | 0 | 0 | 113.8 | L645 S646 D647 T734 | H619-L645 HydrophobicContact CB-CG 4.24Å; H619-L645 PolarHBondContact N-O 3.33Å; H619-S646 PolarHBondContact ND1-O 3.45Å; H619-D647 VanDerWaalsContact CE1-CA 3.49Å; H619-D647 WeakPolarHBondContact CE1-CA 3.45Å; H619-T734 VanDerWaalsContact ND1-CG2 3.29Å; H619-T734 WeakPolarHBondContact ND1-CG2 3.34Å |
| 620 | G | 70.4 | Confident | 69.6 | Low | 8 Ų | 8 | 60.5 Ų | 60.5 | 8% | 0.082 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -171.9 | 164 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | F618 L644 L645 | F618-G620 WeakPolarHBondContact CE2-O 3.29Å; F618-G620 WeakPolarHBondContact CZ-O 3.46Å; G620-L644 CarbonylContact O-C 3.58Å; G620-L645 PolarHBondContact N-O 2.77Å; G620-L645 PolarHBondContact O-N 2.92Å |
| 621 | G | 77.3 | Confident | 69.2 | Low | 26 Ų | 26 | 61.7 Ų | 61.7 | 27% | 0.268 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.6 | 140.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | L643 | G621-L643 CarbonylContact C-O 3.54Å; G621-L643 VanDerWaalsContact CA-O 3.23Å; G621-L643 WeakPolarHBondContact CA-O 3.49Å |
| 622 | W | 80.9 | Confident | 68.8 | Low | 50 Ų | 50 | 64.9 Ų | 64.9 | 19% | 0.189 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 136.3 | -169.9 | -54.1 | -89.2 | 0 | 0 | 0 | 112 | L624 L643 L645 I727 M730 | W622-L624 HydrophobicContact CB-CG 4.27Å; W622-L643 HydrophobicContact CE3-CD2 4.03Å; W622-L643 HydrophobicContact CE3-CG 4.07Å; W622-L643 HydrophobicContact CZ3-CD2 4.46Å; W622-L643 PolarHBondContact N-O 2.91Å; W622-L643 PolarHBondContact O-N 2.86Å; W622-L645 HydrophobicContact CH2-CB 4.32Å; W622-L645 HydrophobicContact CH2-CD2 4.03Å; W622-L645 HydrophobicContact CZ3-CB 3.96Å; W622-L645 HydrophobicContact CZ3-CD2 4.34Å; W622-I727 HydrophobicContact CB-CD1 4.05Å; W622-I727 HydrophobicContact CD2-CD1 4.19Å; W622-I727 HydrophobicContact CD2-CG1 3.83Å; W622-I727 HydrophobicContact CD2-CG2 4.27Å; W622-I727 HydrophobicContact CE3-CG2 4.18Å; W622-I727 HydrophobicContact CG-CD1 3.73Å; W622-I727 HydrophobicContact CG-CG1 3.83Å; W622-I727 HydrophobicContact CZ2-CG1 4.3Å; W622-I727 HydrophobicContact CZ3-CG2 4.32Å; W622-M730 HydrophobicContact CH2-CB 4.22Å; W622-M730 HydrophobicContact CH2-CG 4.23Å; W622-M730 HydrophobicContact CH2-SD 3.59Å; W622-M730 VanDerWaalsContact CH2-SD 3.59Å; W622-M730 HydrophobicContact CZ2-CB 4.26Å; W622-M730 HydrophobicContact CZ2-CE 4.07Å; W622-M730 HydrophobicContact CZ2-CG 4.4Å; W622-M730 HydrophobicContact CZ2-SD 3.48Å; W622-M730 WeakPolarHBondContact CZ2-SD 3.43Å |
| 623 | A | 76.3 | Confident | 68 | Low | 37 Ų | 37 | 68.9 Ų | 68.9 | 31% | 0.306 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 113.8 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||
| 624 | L | 83.1 | Confident | 67.2 | Low | 2 Ų | 2 | 69.5 Ų | 69.5 | 1% | 0.01 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 176.8 | -178 | -62 | 176.1 | 0 | 0 | 0 | 109.8 | W622 V641 L643 M693 L709 R710 L724 I727 | W622-L624 HydrophobicContact CB-CG 4.27Å; L624-V641 PolarHBondContact N-O 3.43Å; L624-V641 PolarHBondContact O-N 3.2Å; L624-L643 HydrophobicContact CD1-CB 4Å; L624-L643 HydrophobicContact CD1-CD2 3.8Å; L624-M693 HydrophobicContact CD1-CE 4.37Å; L624-L709 HydrophobicContact CB-CB 4.39Å; L624-L709 HydrophobicContact CD1-CB 4.11Å; L624-L709 HydrophobicContact CD1-CD1 3.8Å; L624-R710 WeakPolarHBondContact CA-O 3.33Å; L624-R710 WeakPolarHBondContact CB-O 3.34Å; L624-L724 HydrophobicContact CD2-CD2 4.2Å; L624-I727 HydrophobicContact CD1-CD1 4.37Å; L624-I727 HydrophobicContact CD2-CD1 3.89Å |
| 625 | I | 82.8 | Confident | 66.8 | Low | 4 Ų | 4 | 65.4 Ų | 65.4 | 2% | 0.021 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 136.8 | 176.5 | -67.7 | 164.9 | 0 | 0 | 0 | 109 | D638 V639 L709 R710 A712 | I625-D638 HydrophobicContact CD1-CB 4.22Å; I625-D638 HydrophobicContact CG1-CB 4.44Å; I625-D638 HydrophobicContact CG2-CB 3.75Å; I625-V639 WeakPolarHBondContact CA-O 3.07Å; I625-L709 CarbonylContact O-C 3.56Å; I625-L709 WeakPolarHBondContact O-CA 3.39Å; I625-R710 HydrophobicContact CB-CG 3.93Å; I625-R710 HydrophobicContact CG2-CG 4.34Å; I625-R710 PolarHBondContact N-O 3.09Å; I625-R710 PolarHBondContact O-N 3.27Å; I625-A712 HydrophobicContact CD1-CB 3.8Å; I625-A712 HydrophobicContact CG1-CB 4.41Å |
| 626 | N | 82.4 | Confident | 66.1 | Low | 41 Ų | 41 | 68.6 Ų | 68.6 | 22% | 0.219 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 138.2 | 175.3 | -168.4 | 0.7 | 0 | 0 | 0 | 111.4 | D628 V639 V641 T708 | N626-D628 PolarHBondContact OD1-N 3.39Å; N626-V639 HydrophobicContact CB-CB 4.16Å; N626-V639 PolarHBondContact N-O 3.27Å; N626-V641 HydrophobicContact CB-CG2 3.85Å; N626-T708 PolarHBondContact OD1-O 3.22Å |
| 627 | C | 74.7 | Confident | 65.4 | Low | 32 Ų | 32 | 74.4 Ų | 74.4 | 22% | 0.216 | 42% | 0.42 | C | S | . | . | trans | -128.6 | 13.2 | 177.2 | -72.6 | 0 | 0 | 0 | 0 | 113.2 | T708 R710 | C627-T708 HydrophobicContact CB-CG2 4.06Å; C627-T708 PolarHBondContact N-O 3.48Å; C627-R710 WeakPolarHBondContact SG-CD 3.39Å; C627-R710 WeakPolarHBondContact SG-CG 3.16Å | ||
| 628 | D | 69.3 | Low | 65.1 | Low | 37 Ų | 37 | 74.9 Ų | 74.9 | 20% | 0.198 | 42% | 0.42 | C | S | . | . | trans | -72 | 132.1 | 173.3 | -76.3 | -53.9 | 0 | 0 | 0 | 112.2 | N626 S630 T708 | N626-D628 PolarHBondContact OD1-N 3.39Å; D628-S630 VanDerWaalsContact C-N 3.31Å; D628-S630 PolarHBondContact O-N 3.42Å; D628-T708 WeakPolarHBondContact OD1-CB 3.42Å; D628-T708 PolarHBondContact OD1-OG1 3.04Å; D628-T708 PolarHBondContact OD2-N 3.46Å | ||
| 629 | M | 58.3 | Low | 65 | Low | 77 Ų | 77 | 74.1 Ų | 74.1 | 38% | 0.379 | 42% | 0.421 | S | S | . | . | trans | -76.9 | 74 | -170.4 | -171.1 | 103.8 | 64.1 | 0 | 0 | 111.6 | P682 L684 Q753 | M629-P682 WeakPolarHBondContact CE-O 3.46Å; M629-L684 HydrophobicContact CE-CD2 3.82Å; M629-L684 HydrophobicContact CE-CG 3.81Å; M629-L684 HydrophobicContact SD-CD1 4.04Å; M629-L684 HydrophobicContact SD-CD2 4.38Å; M629-L684 HydrophobicContact SD-CG 3.97Å; M629-Q753 PolarHBondContact O-NE2 3.34Å | ||
| 630 | S | 54.3 | Low | 65.2 | Low | 86 Ų | 86 | 70.4 Ų | 70.4 | 60% | 0.601 | 40% | 0.404 | S | S | * | . | trans | -67.7 | 142.2 | 173.8 | 99.1 | 0 | 0 | 0 | 0 | 111.1 | D628 I632 | D628-S630 VanDerWaalsContact C-N 3.31Å; D628-S630 PolarHBondContact O-N 3.42Å; S630-I632 VanDerWaalsContact C-N 3.33Å | ||
| 631 | L | 46.6 | Very low | 65.6 | Low | 152 Ų | 152 | 70.1 Ų | 70.1 | 80% | 0.796 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -90.2 | 6.8 | -177.6 | -77 | 162.6 | 0 | 0 | 0 | 113.7 | ||
| 632 | I | 44.7 | Very low | 65.6 | Low | 151 Ų | 151 | 71.7 Ų | 71.7 | 77% | 0.774 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -95.4 | -34.6 | -158.9 | -62.6 | 178 | 0 | 0 | 0 | 112.9 | S630 | S630-I632 VanDerWaalsContact C-N 3.33Š|
| 633 | D | 43.8 | Very low | 65.7 | Low | 119 Ų | 119 | 69.3 Ų | 69.3 | 64% | 0.636 | 39% | 0.394 | S | S | * | . | trans | -141.9 | 125.3 | 177.3 | -116.7 | -49.9 | 0 | 0 | 0 | 112.3 | T635 | D633-T635 PolarHBondContact O-N 2.89Š| ||
| 634 | A | 45.5 | Very low | 65.9 | Low | 106 Ų | 106 | 68.6 Ų | 68.6 | 88% | 0.876 | 39% | 0.385 | S | S | * | . | trans | -86.4 | 29.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 635 | T | 49.8 | Very low | 66 | Low | 86 Ų | 86 | 68.5 Ų | 68.5 | 53% | 0.528 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -110.8 | 120.6 | 174.9 | 62.7 | 0 | 0 | 0 | 0 | 109.2 | D633 K637 | D633-T635 PolarHBondContact O-N 2.89Å; T635-K637 VanDerWaalsContact C-N 3.27Å; T635-K637 PolarHBondContact O-N 3.44Å |
| 636 | N | 52.9 | Low | 66.1 | Low | 170 Ų | 170 | 68.3 Ų | 68.3 | 91% | 0.909 | 38% | 0.384 | S | S | * | . | trans | -72.8 | 80.4 | -177.9 | -67 | -1.6 | 0 | 0 | 0 | 110.7 | ||||
| 637 | K | 59 | Low | 66.1 | Low | 136 Ų | 136 | 68 Ų | 68 | 59% | 0.591 | 38% | 0.382 | S | S | * | . | trans | -92.3 | 117.7 | 157.3 | -70.4 | -175.9 | -179.7 | 178 | 0 | 107.7 | T635 V639 E658 | T635-K637 VanDerWaalsContact C-N 3.27Å; T635-K637 PolarHBondContact O-N 3.44Å; K637-V639 PolarHBondContact O-N 3.12Å; K637-E658 IonicContact NZ-OE1 2.8Å; K637-E658 PolarHBondContact NZ-OE1 3.23Å | ||
| 638 | D | 67.8 | Low | 66.4 | Low | 89 Ų | 89 | 70.3 Ų | 70.3 | 48% | 0.476 | 39% | 0.388 | S | S | . | . | trans | -63 | 123.5 | 165.5 | -77.7 | -29.7 | 0 | 0 | 0 | 107.9 | I625 R710 | I625-D638 HydrophobicContact CD1-CB 4.22Å; I625-D638 HydrophobicContact CG1-CB 4.44Å; I625-D638 HydrophobicContact CG2-CB 3.75Å; D638-R710 IonicContact OD1-CZ 3.78Å; D638-R710 IonicContact OD1-NH2 2.61Å; D638-R710 PolarHBondContact OD1-NH2 2.7Å; D638-R710 IonicContact OD2-CZ 3.6Å; D638-R710 IonicContact OD2-NH2 3.9Å; D638-R710 PolarHBondContact OD2-NH2 3.48Å | ||
| 639 | V | 72.1 | Confident | 67.2 | Low | 61 Ų | 61 | 68.6 Ų | 68.6 | 37% | 0.37 | 38% | 0.379 | S | S | . | . | trans | -92.8 | 111.6 | 174 | 178.7 | 0 | 0 | 0 | 0 | 107.8 | I625 N626 K637 Y654 | I625-V639 WeakPolarHBondContact CA-O 3.07Å; N626-V639 HydrophobicContact CB-CB 4.16Å; N626-V639 PolarHBondContact N-O 3.27Å; K637-V639 PolarHBondContact O-N 3.12Å; V639-Y654 HydrophobicContact CG1-CD1 4.32Å | ||
| 640 | D | 76.9 | Confident | 68.6 | Low | 8 Ų | 8 | 64.9 Ų | 64.9 | 4% | 0.043 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 133 | 177.3 | -86.6 | 8.8 | 0 | 0 | 0 | 110.7 | Y655 R1072 | D640-Y655 PolarHBondContact O-N 3.07Å; D640-R1072 IonicContact OD1-CZ 3.28Å; D640-R1072 IonicContact OD1-NH1 3.78Å; D640-R1072 PolarHBondContact OD1-NH1 2.95Å; D640-R1072 IonicContact OD1-NH2 2.66Å; D640-R1072 PolarHBondContact OD1-NH2 2.85Å; D640-R1072 IonicContact OD2-CZ 3.47Å; D640-R1072 IonicContact OD2-NH1 3.9Å; D640-R1072 PolarHBondContact OD2-NH1 2.8Å; D640-R1072 IonicContact OD2-NH2 2.73Å; D640-R1072 PolarHBondContact OD2-NH2 2.96Å; D640-R1072 VanDerWaalsContact OD2-NH2 3.09Å |
| 641 | V | 79.3 | Confident | 70.1 | Confident | 3 Ų | 3 | 61.6 Ų | 61.6 | 2% | 0.018 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 129.8 | -176.8 | 177.6 | 0 | 0 | 0 | 0 | 109.3 | L624 N626 I652 A653 Y654 L709 | L624-V641 PolarHBondContact N-O 3.43Å; L624-V641 PolarHBondContact O-N 3.2Å; N626-V641 HydrophobicContact CB-CG2 3.85Å; V641-I652 HydrophobicContact CG1-CG2 3.84Å; V641-A653 WeakPolarHBondContact CA-O 3.34Å; V641-Y654 HydrophobicContact CG2-CD1 3.63Å; V641-Y654 HydrophobicContact CG2-CE1 3.9Å; V641-L709 HydrophobicContact CB-CD2 4.32Å; V641-L709 HydrophobicContact CG1-CD2 4.08Å; V641-L709 HydrophobicContact CG2-CD2 4.32Å |
| 642 | L | 77 | Confident | 71.9 | Confident | 58 Ų | 58 | 54.3 Ų | 54.3 | 30% | 0.304 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 116.5 | 171 | -174 | 65.5 | 0 | 0 | 0 | 109.2 | L644 A653 | L642-L644 HydrophobicContact CD1-CD2 3.93Å; L642-L644 HydrophobicContact CD2-CD1 4.28Å; L642-L644 HydrophobicContact CD2-CD2 3.98Å; L642-L644 HydrophobicContact CD2-CG 4.24Å; L642-L644 HydrophobicContact CG-CD2 3.74Å; L642-L644 HydrophobicContact CG-CG 4.06Å; L642-A653 HydrophobicContact CB-CB 4.39Å; L642-A653 PolarHBondContact N-O 2.86Å; L642-A653 PolarHBondContact O-N 3.19Å |
| 643 | L | 83 | Confident | 73.6 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 121.7 | 170.1 | 174.7 | 65.8 | 0 | 0 | 0 | 108.4 | G621 W622 L624 Y650 Y651 I652 M693 L695 I727 | G621-L643 CarbonylContact C-O 3.54Å; G621-L643 VanDerWaalsContact CA-O 3.23Å; G621-L643 WeakPolarHBondContact CA-O 3.49Å; W622-L643 HydrophobicContact CE3-CD2 4.03Å; W622-L643 HydrophobicContact CE3-CG 4.07Å; W622-L643 HydrophobicContact CZ3-CD2 4.46Å; W622-L643 PolarHBondContact N-O 2.91Å; W622-L643 PolarHBondContact O-N 2.86Å; L624-L643 HydrophobicContact CD1-CB 4Å; L624-L643 HydrophobicContact CD1-CD2 3.8Å; L643-Y650 HydrophobicContact CD1-CD2 3.83Å; L643-Y651 CarbonylContact C-O 3.59Å; L643-Y651 WeakPolarHBondContact CA-O 3.23Å; L643-I652 HydrophobicContact CD1-CD1 4.4Å; L643-I652 HydrophobicContact CD1-CG1 3.83Å; L643-M693 HydrophobicContact CD2-CE 4.25Å; L643-L695 HydrophobicContact CD1-CD1 4.31Å; L643-L695 HydrophobicContact CD2-CD1 4.46Å; L643-I727 HydrophobicContact CD2-CG2 3.81Å |
| 644 | L | 81.8 | Confident | 75.3 | Confident | 23 Ų | 23 | 43.1 Ų | 43.1 | 12% | 0.12 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 154.6 | 173.1 | -50.7 | 176.5 | 0 | 0 | 0 | 110.4 | L611 F618 G620 L642 Y650 Y651 | L611-L644 HydrophobicContact CD2-CD1 4.37Å; F618-L644 HydrophobicContact CE2-CB 4.35Å; F618-L644 HydrophobicContact CE2-CD2 4.2Å; G620-L644 CarbonylContact O-C 3.58Å; L642-L644 HydrophobicContact CD1-CD2 3.93Å; L642-L644 HydrophobicContact CD2-CD1 4.28Å; L642-L644 HydrophobicContact CD2-CD2 3.98Å; L642-L644 HydrophobicContact CD2-CG 4.24Å; L642-L644 HydrophobicContact CG-CD2 3.74Å; L642-L644 HydrophobicContact CG-CG 4.06Å; L644-Y650 CarbonylContact O-C 3.47Å; L644-Y650 WeakPolarHBondContact O-CA 3.5Å; L644-Y650 WeakPolarHBondContact O-CB 3.41Å; L644-Y651 PolarHBondContact N-O 2.88Å; L644-Y651 PolarHBondContact O-N 3.47Å |
| 645 | L | 84.1 | Confident | 76.4 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 127.6 | -177.7 | 178.9 | 58.4 | 0 | 0 | 0 | 110.7 | H619 G620 W622 L670 M730 L731 T734 | H619-L645 HydrophobicContact CB-CG 4.24Å; H619-L645 PolarHBondContact N-O 3.33Å; G620-L645 PolarHBondContact N-O 2.77Å; G620-L645 PolarHBondContact O-N 2.92Å; W622-L645 HydrophobicContact CH2-CB 4.32Å; W622-L645 HydrophobicContact CH2-CD2 4.03Å; W622-L645 HydrophobicContact CZ3-CB 3.96Å; W622-L645 HydrophobicContact CZ3-CD2 4.34Å; L645-L670 HydrophobicContact CD1-CD1 3.98Å; L645-L670 HydrophobicContact CD1-CD2 3.83Å; L645-L670 HydrophobicContact CD1-CG 4.38Å; L645-M730 HydrophobicContact CD2-CG 4.1Å; L645-L731 HydrophobicContact CD1-CD2 3.71Å; L645-L731 HydrophobicContact CD2-CD2 3.97Å; L645-L731 HydrophobicContact CD2-CG 4.29Å; L645-L731 HydrophobicContact CG-CD2 4.37Å; L645-T734 HydrophobicContact CD1-CG2 4.2Å; L645-T734 HydrophobicContact CG-CG2 4.45Å |
| 646 | S | 84.6 | Confident | 77.2 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | -173.3 | 168.2 | 68 | 0 | 0 | 0 | 0 | 111.2 | E616 T617 H619 K648 A649 T734 | E616-S646 VanDerWaalsContact OE2-CB 3.27Å; E616-S646 WeakPolarHBondContact OE2-CB 3.32Å; E616-S646 PolarHBondContact OE2-OG 3.29Å; T617-S646 CarbonylContact O-C 3.6Å; T617-S646 WeakPolarHBondContact O-CA 3.3Å; T617-S646 WeakPolarHBondContact O-CB 3.38Å; H619-S646 PolarHBondContact ND1-O 3.45Å; S646-K648 VanDerWaalsContact C-N 3.31Å; S646-K648 PolarHBondContact OG-N 3.33Å; S646-A649 PolarHBondContact N-O 3.04Å; S646-A649 PolarHBondContact OG-N 2.98Å; S646-A649 PolarHBondContact OG-O 3.3Å; S646-A649 VanDerWaalsContact OG-O 3.06Å; S646-T734 VanDerWaalsContact O-CG2 3.31Å; S646-T734 WeakPolarHBondContact O-CG2 3.29Å |
| 647 | D | 82.1 | Confident | 77.5 | Confident | 35 Ų | 35 | 34.1 Ų | 34.1 | 19% | 0.187 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -67.3 | -26.4 | 171.1 | 61.1 | -48.2 | 0 | 0 | 0 | 114 | T617 H619 S738 | T617-D647 PolarHBondContact N-OD1 3.47Å; T617-D647 PolarHBondContact O-N 2.98Å; T617-D647 WeakPolarHBondContact OG1-CB 3.36Å; T617-D647 PolarHBondContact OG1-OD1 2.86Å; H619-D647 VanDerWaalsContact CE1-CA 3.49Å; H619-D647 WeakPolarHBondContact CE1-CA 3.45Å; D647-S738 PolarHBondContact O-OG 3.02Å; D647-S738 VanDerWaalsContact O-OG 3.1Å |
| 648 | K | 81.1 | Confident | 77.5 | Confident | 80 Ų | 80 | 35.1 Ų | 35.1 | 35% | 0.348 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -112.7 | -31.8 | -173.9 | -66.6 | 168.5 | -164.5 | 150.6 | 0 | 113.9 | D615 E616 S646 L670 | D615-K648 PolarHBondContact O-NZ 3.46Å; D615-K648 IonicContact OD2-NZ 2.83Å; D615-K648 PolarHBondContact OD2-NZ 3.32Å; E616-K648 HydrophobicContact CG-CD 4.18Å; S646-K648 VanDerWaalsContact C-N 3.31Å; S646-K648 PolarHBondContact OG-N 3.33Å; K648-L670 WeakPolarHBondContact O-CB 3.39Å; K648-L670 PolarHBondContact O-N 3.25Å |
| 649 | A | 86.5 | Confident | 76.9 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 165.8 | -169.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | S646 Y651 R667 L668 | S646-A649 PolarHBondContact N-O 3.04Å; S646-A649 PolarHBondContact OG-N 2.98Å; S646-A649 PolarHBondContact OG-O 3.3Å; S646-A649 VanDerWaalsContact OG-O 3.06Å; A649-Y651 HydrophobicContact CB-CE2 4.26Å; A649-R667 HydrophobicContact CB-CG 3.96Å; A649-L668 CarbonylContact C-O 3.6Å; A649-L668 WeakPolarHBondContact CA-O 3.29Å; A649-L668 WeakPolarHBondContact CB-O 3.41Å |
| 650 | Y | 88 | Confident | 76.1 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 148.7 | 162.7 | 70.3 | -76 | 0 | 0 | 0 | 110 | L643 L644 I652 L668 L670 L673 L695 Y697 | L643-Y650 HydrophobicContact CD1-CD2 3.83Å; L644-Y650 CarbonylContact O-C 3.47Å; L644-Y650 WeakPolarHBondContact O-CA 3.5Å; L644-Y650 WeakPolarHBondContact O-CB 3.41Å; Y650-I652 HydrophobicContact CD2-CD1 4.22Å; Y650-I652 HydrophobicContact CD2-CG1 4.27Å; Y650-I652 HydrophobicContact CE2-CD1 3.83Å; Y650-I652 HydrophobicContact CE2-CG1 4.35Å; Y650-L668 HydrophobicContact CD1-CB 3.99Å; Y650-L668 WeakPolarHBondContact CD1-O 3.31Å; Y650-L668 HydrophobicContact CE1-CB 3.5Å; Y650-L668 VanDerWaalsContact CE1-CB 3.5Å; Y650-L668 HydrophobicContact CE1-CD1 4.4Å; Y650-L668 HydrophobicContact CE2-CB 4.1Å; Y650-L668 HydrophobicContact CE2-CD1 3.76Å; Y650-L668 HydrophobicContact CG-CB 4.47Å; Y650-L668 PolarHBondContact N-O 2.91Å; Y650-L668 PolarHBondContact O-N 2.89Å; Y650-L668 VanDerWaalsContact OH-CD1 3.31Å; Y650-L668 WeakPolarHBondContact OH-CD1 3.32Å; Y650-L670 HydrophobicContact CD1-CD2 3.92Å; Y650-L673 HydrophobicContact CE1-CB 3.98Å; Y650-L673 HydrophobicContact CE1-CD1 4.06Å; Y650-L673 HydrophobicContact CE1-CD2 4.31Å; Y650-L673 HydrophobicContact CE1-CG 4.33Å; Y650-L695 HydrophobicContact CD2-CD1 4.41Å; Y650-L695 HydrophobicContact CE2-CD1 4.03Å; Y650-Y697 WeakPolarHBondContact OH-CB 2.78Å |
| 651 | Y | 85.6 | Confident | 75.5 | Confident | 16 Ų | 16 | 39.3 Ų | 39.3 | 6% | 0.063 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 134 | -175.7 | -61 | -112.2 | 0 | 0 | 0 | 109.1 | L612 E616 L643 L644 A649 Q666 R667 | L612-Y651 HydrophobicContact CD2-CE2 3.85Å; E616-Y651 PolarHBondContact OE2-OH 3.31Å; L643-Y651 CarbonylContact C-O 3.59Å; L643-Y651 WeakPolarHBondContact CA-O 3.23Å; L644-Y651 PolarHBondContact N-O 2.88Å; L644-Y651 PolarHBondContact O-N 3.47Å; A649-Y651 HydrophobicContact CB-CE2 4.26Å; Y651-Q666 CarbonylContact C-O 3.56Å; Y651-Q666 WeakPolarHBondContact CA-O 3.45Å; Y651-R667 HydrophobicContact CD1-CB 3.82Å; Y651-R667 HydrophobicContact CD1-CG 3.98Å; Y651-R667 HydrophobicContact CE1-CB 3.81Å; Y651-R667 HydrophobicContact CE1-CG 3.64Å; Y651-R667 HydrophobicContact CE2-CG 4.29Å; Y651-R667 HydrophobicContact CG-CG 4.47Å |
| 652 | I | 83.8 | Confident | 74.6 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 118.1 | 173.9 | -72.4 | 175.3 | 0 | 0 | 0 | 107.7 | V641 L643 Y650 Y654 Y665 Q666 L695 H707 | V641-I652 HydrophobicContact CG1-CG2 3.84Å; L643-I652 HydrophobicContact CD1-CD1 4.4Å; L643-I652 HydrophobicContact CD1-CG1 3.83Å; Y650-I652 HydrophobicContact CD2-CD1 4.22Å; Y650-I652 HydrophobicContact CD2-CG1 4.27Å; Y650-I652 HydrophobicContact CE2-CD1 3.83Å; Y650-I652 HydrophobicContact CE2-CG1 4.35Å; I652-Y654 HydrophobicContact CG2-CE2 3.96Å; I652-Y665 CarbonylContact O-C 3.58Å; I652-Y665 WeakPolarHBondContact O-CA 3.26Å; I652-Q666 PolarHBondContact N-O 3.36Å; I652-Q666 PolarHBondContact O-N 3.34Å; I652-L695 HydrophobicContact CD1-CD1 4.35Å; I652-H707 HydrophobicContact CD1-CB 3.9Å; I652-H707 WeakPolarHBondContact CD1-CD2 3.17Å |
| 653 | A | 80.4 | Confident | 73.8 | Confident | 12 Ų | 12 | 42 Ų | 42 | 10% | 0.099 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 123 | -180 | 0 | 0 | 0 | 0 | 0 | 110.6 | V641 L642 V662 Q664 | V641-A653 WeakPolarHBondContact CA-O 3.34Å; L642-A653 HydrophobicContact CB-CB 4.39Å; L642-A653 PolarHBondContact N-O 2.86Å; L642-A653 PolarHBondContact O-N 3.19Å; A653-V662 HydrophobicContact CB-CG1 3.93Å; A653-V662 HydrophobicContact CB-CG2 4.41Å; A653-Q664 CarbonylContact C-O 3.54Å; A653-Q664 WeakPolarHBondContact CA-O 3.5Å |
| 654 | Y | 79.2 | Confident | 73.1 | Confident | 22 Ų | 22 | 46 Ų | 46 | 9% | 0.086 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 126.5 | 178 | -57.8 | -89.8 | 0 | 0 | 0 | 110.2 | V639 V641 I652 N663 Q664 H707 | V639-Y654 HydrophobicContact CG1-CD1 4.32Å; V641-Y654 HydrophobicContact CG2-CD1 3.63Å; V641-Y654 HydrophobicContact CG2-CE1 3.9Å; I652-Y654 HydrophobicContact CG2-CE2 3.96Å; Y654-N663 PolarHBondContact O-N 3.28Å; Y654-Q664 HydrophobicContact CD2-CB 3.95Å; Y654-Q664 PolarHBondContact N-O 3.01Å; Y654-H707 PolarHBondContact OH-CE1 3.1Å; Y654-H707 PolarHBondContact OH-ND1 3.31Å |
| 655 | Y | 69.3 | Low | 72.8 | Confident | 35 Ų | 35 | 48.8 Ų | 48.8 | 14% | 0.137 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 151.8 | -179 | -162.4 | -104.5 | 0 | 0 | 0 | 112 | D640 D660 K661 V662 F1068 | D640-Y655 PolarHBondContact O-N 3.07Å; Y655-D660 VanDerWaalsContact CZ-C 3.47Å; Y655-D660 VanDerWaalsContact OH-CA 3.29Å; Y655-D660 WeakPolarHBondContact OH-CA 3.39Å; Y655-D660 PolarHBondContact OH-O 3.47Å; Y655-D660 VanDerWaalsContact OH-O 3.06Å; Y655-D660 PolarHBondContact OH-OD1 2.88Å; Y655-K661 VanDerWaalsContact CD2-C 3.49Å; Y655-K661 WeakPolarHBondContact CD2-O 3.35Å; Y655-K661 VanDerWaalsContact CE2-C 3.43Å; Y655-V662 HydrophobicContact CD2-CG2 4.14Å; Y655-F1068 HydrophobicContact CD1-CD1 4.32Å; Y655-F1068 HydrophobicContact CD1-CD2 4.36Å; Y655-F1068 HydrophobicContact CD1-CE1 4.05Å; Y655-F1068 HydrophobicContact CD1-CE2 4.1Å; Y655-F1068 HydrophobicContact CD1-CG 4.48Å; Y655-F1068 AromaticContact CD1-CZ 3.94Å; Y655-F1068 HydrophobicContact CD1-CZ 3.94Å; Y655-F1068 HydrophobicContact CD2-CE1 4.37Å; Y655-F1068 HydrophobicContact CD2-CE2 4.13Å; Y655-F1068 AromaticContact CD2-CZ 3.7Å; Y655-F1068 HydrophobicContact CD2-CZ 3.7Å; Y655-F1068 HydrophobicContact CE1-CD1 4.41Å; Y655-F1068 AromaticContact CE1-CD2 3.67Å; Y655-F1068 HydrophobicContact CE1-CD2 3.67Å; Y655-F1068 HydrophobicContact CE1-CE1 4.27Å; Y655-F1068 AromaticContact CE1-CE2 3.52Å; Y655-F1068 HydrophobicContact CE1-CE2 3.52Å; Y655-F1068 HydrophobicContact CE1-CG 4.14Å; Y655-F1068 AromaticContact CE1-CZ 3.84Å; Y655-F1068 HydrophobicContact CE1-CZ 3.84Å; Y655-F1068 AromaticContact CE2-CE2 3.56Å; Y655-F1068 HydrophobicContact CE2-CE2 3.56Å; Y655-F1068 AromaticContact CE2-CZ 3.61Å; Y655-F1068 HydrophobicContact CE2-CZ 3.61Å; Y655-F1068 HydrophobicContact CG-CE1 4.09Å; Y655-F1068 HydrophobicContact CG-CE2 4.37Å; Y655-F1068 AromaticContact CG-CZ 3.86Å; Y655-F1068 HydrophobicContact CG-CZ 3.86Å; Y655-F1068 AromaticContact CZ-CD2 3.74Å; Y655-F1068 AromaticContact CZ-CE2 3.2Å; Y655-F1068 AromaticContact CZ-CZ 3.67Å; Y655-F1068 WeakPolarHBondContact OH-CE2 3.48Å |
| 656 | D | 67.6 | Low | 72.7 | Confident | 41 Ų | 41 | 48.9 Ų | 48.9 | 22% | 0.219 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 100.7 | 178.5 | -179.6 | -8.9 | 0 | 0 | 0 | 110 | E658 A659 D660 K661 N663 | D656-E658 PolarHBondContact O-N 2.92Å; D656-E658 PolarHBondContact OD1-N 3.14Å; D656-A659 HydrophobicContact CB-CB 4.17Å; D656-A659 CarbonylContact O-C 3.58Å; D656-A659 PolarHBondContact O-N 3.36Å; D656-A659 VanDerWaalsContact O-N 3.11Å; D656-A659 PolarHBondContact OD1-N 2.97Å; D656-A659 VanDerWaalsContact OD2-CB 3.31Å; D656-A659 WeakPolarHBondContact OD2-CB 3.31Å; D656-D660 PolarHBondContact O-N 3.15Å; D656-K661 PolarHBondContact N-O 3.23Å; D656-N663 HydrophobicContact CB-CB 4.41Å; D656-N663 VanDerWaalsContact CB-ND2 3.32Å; D656-N663 WeakPolarHBondContact CB-ND2 3.44Å; D656-N663 PolarHBondContact OD2-ND2 3.06Å |
| 657 | D | 58.5 | Low | 72.7 | Confident | 98 Ų | 98 | 52.4 Ų | 52.4 | 52% | 0.524 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -25.3 | 178.9 | -80.2 | 10.1 | 0 | 0 | 0 | 114 | ||
| 658 | E | 58.8 | Low | 72.8 | Confident | 156 Ų | 156 | 51.6 Ų | 51.6 | 73% | 0.729 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | -18.4 | 179.9 | -68.1 | -176.5 | -155.2 | 0 | 0 | 112.3 | K637 D656 | K637-E658 IonicContact NZ-OE1 2.8Å; K637-E658 PolarHBondContact NZ-OE1 3.23Å; D656-E658 PolarHBondContact O-N 2.92Å; D656-E658 PolarHBondContact OD1-N 3.14Å |
| 659 | A | 55.2 | Low | 73 | Confident | 39 Ų | 39 | 51.4 Ų | 51.4 | 32% | 0.322 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.9 | 0.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | D656 K661 | D656-A659 HydrophobicContact CB-CB 4.17Å; D656-A659 CarbonylContact O-C 3.58Å; D656-A659 PolarHBondContact O-N 3.36Å; D656-A659 VanDerWaalsContact O-N 3.11Å; D656-A659 PolarHBondContact OD1-N 2.97Å; D656-A659 VanDerWaalsContact OD2-CB 3.31Å; D656-A659 WeakPolarHBondContact OD2-CB 3.31Å; A659-K661 HydrophobicContact CB-CD 3.75Å; A659-K661 HydrophobicContact CB-CG 3.93Å; A659-K661 PolarHBondContact O-N 2.73Å |
| 660 | D | 55.9 | Low | 72.9 | Confident | 102 Ų | 102 | 51.6 Ų | 51.6 | 55% | 0.545 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54 | 32.6 | 178.3 | -156.2 | 55.3 | 0 | 0 | 0 | 113.4 | Y655 D656 | Y655-D660 VanDerWaalsContact CZ-C 3.47Å; Y655-D660 VanDerWaalsContact OH-CA 3.29Å; Y655-D660 WeakPolarHBondContact OH-CA 3.39Å; Y655-D660 PolarHBondContact OH-O 3.47Å; Y655-D660 VanDerWaalsContact OH-O 3.06Å; Y655-D660 PolarHBondContact OH-OD1 2.88Å; D656-D660 PolarHBondContact O-N 3.15Å |
| 661 | K | 63.4 | Low | 72.7 | Confident | 105 Ų | 105 | 59.1 Ų | 59.1 | 46% | 0.457 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 160.6 | -170.2 | 76.6 | -165 | -173.9 | -162.3 | 0 | 113.5 | Y655 D656 A659 N663 | Y655-K661 VanDerWaalsContact CD2-C 3.49Å; Y655-K661 WeakPolarHBondContact CD2-O 3.35Å; Y655-K661 VanDerWaalsContact CE2-C 3.43Å; D656-K661 PolarHBondContact N-O 3.23Å; A659-K661 HydrophobicContact CB-CD 3.75Å; A659-K661 HydrophobicContact CB-CG 3.93Å; A659-K661 PolarHBondContact O-N 2.73Å; K661-N663 WeakPolarHBondContact CE-OD1 3.37Å; K661-N663 PolarHBondContact NZ-OD1 3.24Å; K661-N663 PolarHBondContact O-N 3.42Å |
| 662 | V | 61.7 | Low | 72.6 | Confident | 53 Ų | 53 | 59.5 Ų | 59.5 | 32% | 0.321 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 120.5 | 164.1 | 175.8 | 0 | 0 | 0 | 0 | 108.8 | A653 Y655 Q664 | A653-V662 HydrophobicContact CB-CG1 3.93Å; A653-V662 HydrophobicContact CB-CG2 4.41Å; Y655-V662 HydrophobicContact CD2-CG2 4.14Å; V662-Q664 WeakPolarHBondContact CG1-O 3.17Å |
| 663 | N | 59.5 | Low | 72.8 | Confident | 66 Ų | 66 | 59.5 Ų | 59.5 | 35% | 0.353 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | -35.1 | 177.1 | -98.7 | -13 | 0 | 0 | 0 | 112.3 | Y654 D656 K661 | Y654-N663 PolarHBondContact O-N 3.28Å; D656-N663 HydrophobicContact CB-CB 4.41Å; D656-N663 VanDerWaalsContact CB-ND2 3.32Å; D656-N663 WeakPolarHBondContact CB-ND2 3.44Å; D656-N663 PolarHBondContact OD2-ND2 3.06Å; K661-N663 WeakPolarHBondContact CE-OD1 3.37Å; K661-N663 PolarHBondContact NZ-OD1 3.24Å; K661-N663 PolarHBondContact O-N 3.42Å |
| 664 | Q | 67.1 | Low | 73.1 | Confident | 82 Ų | 82 | 61.7 Ų | 61.7 | 38% | 0.383 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 137.2 | -169.6 | -70.1 | -179.9 | -14.6 | 0 | 0 | 108.9 | A653 Y654 V662 I760 | A653-Q664 CarbonylContact C-O 3.54Å; A653-Q664 WeakPolarHBondContact CA-O 3.5Å; Y654-Q664 HydrophobicContact CD2-CB 3.95Å; Y654-Q664 PolarHBondContact N-O 3.01Å; V662-Q664 WeakPolarHBondContact CG1-O 3.17Å; Q664-I760 HydrophobicContact CB-CG2 3.73Å; Q664-I760 HydrophobicContact CG-CG2 3.49Å; Q664-I760 VanDerWaalsContact CG-CG2 3.49Å |
| 665 | Y | 76.7 | Confident | 73.7 | Confident | 82 Ų | 82 | 63.6 Ų | 63.6 | 32% | 0.322 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 152.9 | 170.2 | 82.1 | -75.5 | 0 | 0 | 0 | 111.3 | I652 M761 | I652-Y665 CarbonylContact O-C 3.58Å; I652-Y665 WeakPolarHBondContact O-CA 3.26Å; Y665-M761 HydrophobicContact CE1-CB 4.03Å; Y665-M761 HydrophobicContact CE2-CE 4.11Å; Y665-M761 WeakPolarHBondContact OH-CE 3.35Å |
| 666 | Q | 81.3 | Confident | 74.8 | Confident | 3 Ų | 3 | 61.9 Ų | 61.9 | 1% | 0.014 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 128.8 | 178.1 | -162.8 | -178.4 | 24.3 | 0 | 0 | 108.4 | Y651 I652 L668 Y697 H707 | Y651-Q666 CarbonylContact C-O 3.56Å; Y651-Q666 WeakPolarHBondContact CA-O 3.45Å; I652-Q666 PolarHBondContact N-O 3.36Å; I652-Q666 PolarHBondContact O-N 3.34Å; Q666-L668 HydrophobicContact CG-CD1 4.43Å; Q666-L668 HydrophobicContact CG-CD2 4.04Å; Q666-L668 HydrophobicContact CG-CG 4.02Å; Q666-Y697 PolarHBondContact NE2-OH 3.13Å; Q666-Y697 VanDerWaalsContact NE2-OH 3.12Å; Q666-H707 PolarHBondContact OE1-CE1 3.07Å; Q666-H707 PolarHBondContact OE1-NE2 3.46Å |
| 667 | R | 84.2 | Confident | 76 | Confident | 74 Ų | 74 | 60.2 Ų | 60.2 | 28% | 0.279 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 132.7 | 167 | -180 | -174.2 | 168.6 | -69.8 | -3.2 | 107.5 | E616 A649 Y651 D669 | E616-R667 IonicContact OE1-CZ 3.89Å; E616-R667 VanDerWaalsContact OE1-CZ 3.23Å; E616-R667 IonicContact OE1-NE 2.89Å; E616-R667 PolarHBondContact OE1-NE 3.3Å; E616-R667 IonicContact OE1-NH2 3.42Å; E616-R667 PolarHBondContact OE1-NH2 3Å; A649-R667 HydrophobicContact CB-CG 3.96Å; Y651-R667 HydrophobicContact CD1-CB 3.82Å; Y651-R667 HydrophobicContact CD1-CG 3.98Å; Y651-R667 HydrophobicContact CE1-CB 3.81Å; Y651-R667 HydrophobicContact CE1-CG 3.64Å; Y651-R667 HydrophobicContact CE2-CG 4.29Å; Y651-R667 HydrophobicContact CG-CG 4.47Å; R667-D669 IonicContact CZ-OD1 3.85Å; R667-D669 IonicContact NH1-OD1 3.12Å; R667-D669 PolarHBondContact NH1-OD1 2.89Å; R667-D669 IonicContact NH1-OD2 2.86Å; R667-D669 PolarHBondContact NH1-OD2 3.25Å; R667-D669 IonicContact NH2-OD1 3.44Å; R667-D669 PolarHBondContact NH2-OD1 3.32Å |
| 668 | L | 86.3 | Confident | 77.5 | Confident | 17 Ų | 17 | 55.6 Ų | 55.6 | 9% | 0.089 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 119.8 | -178 | -68.1 | 173.9 | 0 | 0 | 0 | 109.1 | A649 Y650 Q666 Y697 | A649-L668 CarbonylContact C-O 3.6Å; A649-L668 WeakPolarHBondContact CA-O 3.29Å; A649-L668 WeakPolarHBondContact CB-O 3.41Å; Y650-L668 HydrophobicContact CD1-CB 3.99Å; Y650-L668 WeakPolarHBondContact CD1-O 3.31Å; Y650-L668 HydrophobicContact CE1-CB 3.5Å; Y650-L668 VanDerWaalsContact CE1-CB 3.5Å; Y650-L668 HydrophobicContact CE1-CD1 4.4Å; Y650-L668 HydrophobicContact CE2-CB 4.1Å; Y650-L668 HydrophobicContact CE2-CD1 3.76Å; Y650-L668 HydrophobicContact CG-CB 4.47Å; Y650-L668 PolarHBondContact N-O 2.91Å; Y650-L668 PolarHBondContact O-N 2.89Å; Y650-L668 VanDerWaalsContact OH-CD1 3.31Å; Y650-L668 WeakPolarHBondContact OH-CD1 3.32Å; Q666-L668 HydrophobicContact CG-CD1 4.43Å; Q666-L668 HydrophobicContact CG-CD2 4.04Å; Q666-L668 HydrophobicContact CG-CG 4.02Å; L668-Y697 HydrophobicContact CD1-CD1 3.95Å; L668-Y697 HydrophobicContact CD1-CD2 4.07Å; L668-Y697 HydrophobicContact CD1-CE1 4.02Å; L668-Y697 HydrophobicContact CD1-CE2 4.16Å; L668-Y697 HydrophobicContact CD1-CG 3.99Å; L668-Y697 HydrophobicContact CD2-CD2 3.7Å; L668-Y697 HydrophobicContact CD2-CE2 3.58Å; L668-Y697 HydrophobicContact CD2-CG 4.43Å; L668-Y697 HydrophobicContact CG-CD2 4.5Å |
| 669 | D | 84.1 | Confident | 79 | Confident | 76 Ų | 76 | 48.5 Ų | 48.5 | 41% | 0.406 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 140.8 | 178.5 | -61.8 | -79.1 | 0 | 0 | 0 | 111.2 | R667 E671 G672 | R667-D669 IonicContact CZ-OD1 3.85Å; R667-D669 IonicContact NH1-OD1 3.12Å; R667-D669 PolarHBondContact NH1-OD1 2.89Å; R667-D669 IonicContact NH1-OD2 2.86Å; R667-D669 PolarHBondContact NH1-OD2 3.25Å; R667-D669 IonicContact NH2-OD1 3.44Å; R667-D669 PolarHBondContact NH2-OD1 3.32Å; D669-E671 PolarHBondContact O-N 3.32Å; D669-G672 PolarHBondContact O-N 3.44Å |
| 670 | L | 85.2 | Confident | 80.4 | Confident | 4 Ų | 4 | 49.2 Ų | 49.2 | 2% | 0.021 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -64.3 | -25.2 | -175.7 | -74.6 | 169.1 | 0 | 0 | 0 | 112.8 | L645 K648 Y650 G672 L673 L731 T734 K735 | L645-L670 HydrophobicContact CD1-CD1 3.98Å; L645-L670 HydrophobicContact CD1-CD2 3.83Å; L645-L670 HydrophobicContact CD1-CG 4.38Å; K648-L670 WeakPolarHBondContact O-CB 3.39Å; K648-L670 PolarHBondContact O-N 3.25Å; Y650-L670 HydrophobicContact CD1-CD2 3.92Å; L670-G672 PolarHBondContact O-N 3.45Å; L670-L673 HydrophobicContact CD2-CD2 4.32Å; L670-L673 WeakPolarHBondContact O-CB 3.32Å; L670-L673 PolarHBondContact O-N 2.94Å; L670-L731 HydrophobicContact CD2-CD2 4.22Å; L670-T734 HydrophobicContact CD1-CG2 3.66Å; L670-K735 HydrophobicContact CB-CG 4.35Å; L670-K735 WeakPolarHBondContact O-CE 3.47Å |
| 671 | E | 83.6 | Confident | 81.5 | Confident | 159 Ų | 159 | 46.3 Ų | 46.3 | 74% | 0.743 | 23% | 0.229 | S | C | * | . | G | 310 helix | trans | -58.5 | -37.4 | 170.6 | -55.8 | -168.6 | 165.7 | 0 | 0 | 112.1 | D669 L673 L740 | D669-E671 PolarHBondContact O-N 3.32Å; E671-L673 VanDerWaalsContact C-N 3.3Å; E671-L673 PolarHBondContact O-N 3.46Å; E671-L740 HydrophobicContact CB-CD1 4.18Å; E671-L740 HydrophobicContact CG-CD1 3.92Å |
| 672 | G | 82.9 | Confident | 81.9 | Confident | 23 Ų | 23 | 42.2 Ų | 42.2 | 24% | 0.237 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -76.3 | -10.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | D669 L670 E674 Y697 R698 | D669-G672 PolarHBondContact O-N 3.44Å; L670-G672 PolarHBondContact O-N 3.45Å; G672-E674 PolarHBondContact O-N 3.1Å; G672-Y697 CarbonylContact O-C 3.55Å; G672-Y697 WeakPolarHBondContact O-CA 3.33Å; G672-Y697 WeakPolarHBondContact O-CB 3.49Å; G672-R698 PolarHBondContact O-N 3.07Å |
| 673 | L | 88.3 | Confident | 82.2 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 103.5 | 177.3 | -174.5 | 63.7 | 0 | 0 | 0 | 110.1 | Y650 L670 E671 L695 L731 K735 L742 | Y650-L673 HydrophobicContact CE1-CB 3.98Å; Y650-L673 HydrophobicContact CE1-CD1 4.06Å; Y650-L673 HydrophobicContact CE1-CD2 4.31Å; Y650-L673 HydrophobicContact CE1-CG 4.33Å; L670-L673 HydrophobicContact CD2-CD2 4.32Å; L670-L673 WeakPolarHBondContact O-CB 3.32Å; L670-L673 PolarHBondContact O-N 2.94Å; E671-L673 VanDerWaalsContact C-N 3.3Å; E671-L673 PolarHBondContact O-N 3.46Å; L673-L695 HydrophobicContact CD1-CB 4.07Å; L673-L695 HydrophobicContact CD1-CD2 4.49Å; L673-L731 HydrophobicContact CD2-CD2 4.32Å; L673-K735 PolarHBondContact O-NZ 2.89Å; L673-L742 HydrophobicContact CD2-CD1 4.08Å; L673-L742 HydrophobicContact CD2-CD2 3.63Å; L673-L742 HydrophobicContact CG-CD1 3.8Å; L673-L742 HydrophobicContact CG-CD2 4.29Å |
| 674 | E | 87.4 | Confident | 82.4 | Confident | 58 Ų | 58 | 43.1 Ų | 43.1 | 27% | 0.271 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | -45.8 | -171.4 | -58.3 | -165.2 | 133.9 | 0 | 0 | 112.3 | G672 H696 R698 S703 | G672-E674 PolarHBondContact O-N 3.1Å; E674-H696 PolarHBondContact N-O 3Å; E674-R698 HydrophobicContact CG-CB 4.33Å; E674-R698 IonicContact OE1-CZ 3.25Å; E674-R698 VanDerWaalsContact OE1-CZ 3.22Å; E674-R698 IonicContact OE1-NE 2.71Å; E674-R698 PolarHBondContact OE1-NE 3.18Å; E674-R698 IonicContact OE1-NH2 2.98Å; E674-R698 PolarHBondContact OE1-NH2 3.04Å; E674-S703 WeakPolarHBondContact OE2-CB 3.45Å |
| 675 | K | 90.4 | Very high | 82 | Confident | 62 Ų | 62 | 48.4 Ų | 48.4 | 27% | 0.27 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -166.2 | 161 | -176.8 | 57.3 | 174.4 | 175.6 | 165.9 | 0 | 112 | E677 H696 L743 | K675-E677 HydrophobicContact CD-CG 4.33Å; K675-E677 IonicContact NZ-OE1 3.19Å; K675-E677 PolarHBondContact NZ-OE1 3.42Å; K675-H696 VanDerWaalsContact CE-CG 3.44Å; K675-H696 WeakPolarHBondContact CE-ND1 3.39Å; K675-H696 HydrophobicContact CG-CB 3.71Å; K675-H696 PolarHBondContact O-N 3.29Å; K675-L743 WeakPolarHBondContact CA-O 3.19Å; K675-L743 HydrophobicContact CB-CB 4.37Å; K675-L743 WeakPolarHBondContact CB-O 3.38Å |
| 676 | I | 92.6 | Very high | 81.5 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 132.5 | 169.1 | -54.8 | -174.4 | 0 | 0 | 0 | 109.1 | I678 M693 R694 L695 A728 L731 L742 L743 V744 V745 | I676-I678 HydrophobicContact CG2-CG1 4.12Å; I676-M693 HydrophobicContact CG2-CG 3.5Å; I676-M693 HydrophobicContact CG2-SD 4.01Å; I676-R694 WeakPolarHBondContact CA-O 3.39Å; I676-L695 HydrophobicContact CB-CD2 4.44Å; I676-L695 HydrophobicContact CD1-CD2 3.65Å; I676-L695 HydrophobicContact CG1-CD2 3.66Å; I676-L695 HydrophobicContact CG2-CD2 4.12Å; I676-A728 HydrophobicContact CD1-CB 3.8Å; I676-A728 HydrophobicContact CG2-CB 4.02Å; I676-L731 HydrophobicContact CD1-CB 4.01Å; I676-L731 HydrophobicContact CD1-CD1 3.78Å; I676-L742 HydrophobicContact CD1-CD2 3.67Å; I676-L742 HydrophobicContact CD1-CG 4.5Å; I676-L742 HydrophobicContact CG1-CD1 4.46Å; I676-L742 HydrophobicContact CG1-CD2 3.91Å; I676-L742 HydrophobicContact CG1-CG 4.28Å; I676-L743 PolarHBondContact N-O 2.79Å; I676-V744 HydrophobicContact CB-CG1 4.38Å; I676-V744 HydrophobicContact CB-CG2 4.27Å; I676-V744 HydrophobicContact CD1-CG2 4.49Å; I676-V744 HydrophobicContact CG2-CG1 4.49Å; I676-V744 CarbonylContact O-C 3.59Å; I676-V744 WeakPolarHBondContact O-CA 3.47Å; I676-V745 PolarHBondContact O-N 2.91Å |
| 677 | E | 92.5 | Very high | 81.1 | Confident | 5 Ų | 5 | 57 Ų | 57 | 2% | 0.023 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 124.8 | 172 | -60 | 178.9 | 159.5 | 0 | 0 | 109.2 | K675 R694 H696 V745 K747 L749 | K675-E677 HydrophobicContact CD-CG 4.33Å; K675-E677 IonicContact NZ-OE1 3.19Å; K675-E677 PolarHBondContact NZ-OE1 3.42Å; E677-R694 HydrophobicContact CB-CB 4.38Å; E677-R694 PolarHBondContact N-O 3.11Å; E677-R694 PolarHBondContact O-N 3.35Å; E677-H696 IonicContact OE1-CE1 2.72Å; E677-H696 IonicContact OE1-NE2 2.67Å; E677-H696 IonicContact OE2-CD2 2.61Å; E677-H696 IonicContact OE2-CE1 2.89Å; E677-H696 PolarHBondContact OE2-CE1 3.32Å; E677-H696 IonicContact OE2-NE2 2.62Å; E677-H696 PolarHBondContact OE2-NE2 2.75Å; E677-V745 CarbonylContact C-O 3.56Å; E677-V745 WeakPolarHBondContact CA-O 3.34Å; E677-K747 VanDerWaalsContact CD-NZ 3.27Å; E677-K747 WeakPolarHBondContact OE1-CE 3.44Å; E677-K747 IonicContact OE1-NZ 2.81Å; E677-K747 PolarHBondContact OE1-NZ 3.31Å; E677-K747 VanDerWaalsContact OE2-CE 3.26Å; E677-K747 WeakPolarHBondContact OE2-CE 3.38Å; E677-K747 IonicContact OE2-NZ 2.72Å; E677-K747 PolarHBondContact OE2-NZ 3.3Å; E677-L749 HydrophobicContact CB-CD2 3.82Å |
| 678 | I | 91.2 | Very high | 80.6 | Confident | 2 Ų | 2 | 56.6 Ų | 56.6 | 1% | 0.01 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 134.5 | 177.6 | -60.8 | 179.5 | 0 | 0 | 0 | 109.3 | I676 C692 M693 K721 A728 V744 V745 E746 K747 | I676-I678 HydrophobicContact CG2-CG1 4.12Å; I678-C692 WeakPolarHBondContact CA-O 3.21Å; I678-M693 HydrophobicContact CG1-CB 4.37Å; I678-M693 HydrophobicContact CG1-CG 4.19Å; I678-K721 HydrophobicContact CG2-CG 4.5Å; I678-A728 HydrophobicContact CD1-CB 3.88Å; I678-V744 HydrophobicContact CD1-CG1 4.3Å; I678-V745 PolarHBondContact N-O 2.84Å; I678-E746 WeakPolarHBondContact O-CA 3.48Å; I678-K747 PolarHBondContact O-N 2.9Å; I678-K747 VanDerWaalsContact O-O 3.05Å |
| 679 | G | 88.8 | Confident | 80 | Confident | 6 Ų | 6 | 63.2 Ų | 63.2 | 6% | 0.062 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 174.6 | 178.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | C692 K747 | G679-C692 PolarHBondContact N-O 3.45Å; G679-C692 PolarHBondContact O-N 3.45Å; G679-K747 WeakPolarHBondContact CA-O 3.37Å |
| 680 | P | 85.2 | Confident | 79.9 | Confident | 54 Ų | 54 | 62.1 Ų | 62.1 | 35% | 0.351 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 145.7 | -176.5 | 24.8 | -35.2 | 0 | 0 | 0 | 112.8 | P688 K748 | P680-P688 HydrophobicContact CB-CB 3.88Å; P680-P688 HydrophobicContact CB-CG 3.84Å; P680-K748 HydrophobicContact CG-CG 4.49Å |
| 681 | E | 80.3 | Confident | 80 | Confident | 41 Ų | 41 | 62.1 Ų | 62.1 | 19% | 0.192 | 33% | 0.326 | C | S | . | . | trans | -51.6 | 138.7 | -175.9 | 55.4 | 170.2 | -176.4 | 0 | 0 | 113.9 | T683 P688 K689 F690 | E681-T683 VanDerWaalsContact CD-CG2 3.42Å; E681-T683 HydrophobicContact CG-CG2 3.76Å; E681-T683 PolarHBondContact O-N 2.84Å; E681-T683 WeakPolarHBondContact OE1-CG2 3.32Å; E681-P688 HydrophobicContact CG-CB 3.48Å; E681-P688 VanDerWaalsContact CG-CB 3.48Å; E681-P688 WeakPolarHBondContact OE1-CA 3.32Å; E681-K689 PolarHBondContact OE1-N 2.59Å; E681-F690 PolarHBondContact N-O 3.45Å | ||
| 682 | P | 70.4 | Confident | 80.2 | Confident | 19 Ų | 19 | 54.6 Ų | 54.6 | 12% | 0.123 | 29% | 0.29 | C | S | . | . | trans | -79.6 | 45.8 | -175.2 | 34.6 | -37.6 | 0 | 0 | 0 | 113.3 | M629 R751 | M629-P682 WeakPolarHBondContact CE-O 3.46Å; P682-R751 HydrophobicContact CB-CG 4.2Å | ||
| 683 | T | 69.4 | Low | 80.7 | Confident | 35 Ų | 35 | 53.5 Ų | 53.5 | 22% | 0.215 | 28% | 0.279 | C | S | . | . | trans | -52.2 | 146.5 | -178.3 | 43.3 | 0 | 0 | 0 | 0 | 113.2 | E681 R751 | E681-T683 VanDerWaalsContact CD-CG2 3.42Å; E681-T683 HydrophobicContact CG-CG2 3.76Å; E681-T683 PolarHBondContact O-N 2.84Å; E681-T683 WeakPolarHBondContact OE1-CG2 3.32Å; T683-R751 PolarHBondContact O-NE 3.13Å; T683-R751 PolarHBondContact O-NH2 2.92Å | ||
| 684 | L | 63.5 | Low | 80.8 | Confident | 103 Ų | 103 | 53.7 Ų | 53.7 | 54% | 0.539 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -73.2 | -48.2 | 176.1 | -64.4 | 174.2 | 0 | 0 | 0 | 111.7 | M629 R751 | M629-L684 HydrophobicContact CE-CD2 3.82Å; M629-L684 HydrophobicContact CE-CG 3.81Å; M629-L684 HydrophobicContact SD-CD1 4.04Å; M629-L684 HydrophobicContact SD-CD2 4.38Å; M629-L684 HydrophobicContact SD-CG 3.97Å; L684-R751 PolarHBondContact O-NH2 3.06Å |
| 685 | F | 57.9 | Low | 81 | Confident | 194 Ų | 194 | 50.9 Ų | 50.9 | 85% | 0.851 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -138.7 | 147.1 | -179.8 | -61.6 | -84.4 | 0 | 0 | 0 | 110.8 | ||
| 686 | G | 65.6 | Low | 80.9 | Confident | 72 Ų | 72 | 48.9 Ų | 48.9 | 74% | 0.742 | 26% | 0.258 | S | S | * | . | S | Bend | trans | 103.6 | -175 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 687 | K | 73.8 | Confident | 80.7 | Confident | 192 Ų | 192 | 48.9 Ų | 48.9 | 84% | 0.835 | 26% | 0.258 | S | S | * | . | trans | -86.2 | 140 | 166.3 | -68.8 | -176 | 178.1 | -177.4 | 0 | 108.7 | ||||
| 688 | P | 73.9 | Confident | 80.3 | Confident | 66 Ų | 66 | 55.1 Ų | 55.1 | 43% | 0.429 | 28% | 0.282 | S | S | . | . | trans | -63.7 | 142.8 | 170 | 29.6 | -34.8 | 0 | 0 | 0 | 110.1 | P680 E681 | P680-P688 HydrophobicContact CB-CB 3.88Å; P680-P688 HydrophobicContact CB-CG 3.84Å; E681-P688 HydrophobicContact CG-CB 3.48Å; E681-P688 VanDerWaalsContact CG-CB 3.48Å; E681-P688 WeakPolarHBondContact OE1-CA 3.32Å | ||
| 689 | K | 73.3 | Confident | 79.4 | Confident | 157 Ų | 157 | 55.4 Ų | 55.4 | 68% | 0.683 | 28% | 0.284 | S | S | * | . | trans | -105.2 | -25.9 | 179 | -65.1 | -177.2 | 177.6 | -176.3 | 0 | 113.7 | E681 | E681-K689 PolarHBondContact OE1-N 2.59Š| ||
| 690 | F | 81.4 | Confident | 78.4 | Confident | 52 Ų | 52 | 61.8 Ų | 61.8 | 23% | 0.228 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -130.4 | 155.1 | -171.5 | -52.8 | -66.1 | 0 | 0 | 0 | 111.6 | E681 | E681-F690 PolarHBondContact N-O 3.45Š|
| 691 | C | 86.8 | Confident | 77.6 | Confident | 5 Ų | 5 | 68 Ų | 68 | 3% | 0.034 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 145.8 | 166.6 | -158.6 | 0 | 0 | 0 | 0 | 110 | D719 K721 L724 | C691-D719 HydrophobicContact CB-CB 4.45Å; C691-D719 WeakPolarHBondContact CB-O 3.37Å; C691-D719 PolarHBondContact N-O 3.05Å; C691-K721 HydrophobicContact CB-CB 4.09Å; C691-L724 HydrophobicContact CB-CD1 4.43Å; C691-L724 WeakPolarHBondContact O-CD1 3.24Å |
| 692 | C | 89.5 | Confident | 77.4 | Confident | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 148 | 178.4 | -61.7 | 0 | 0 | 0 | 0 | 110.6 | I678 G679 T708 L709 L749 | I678-C692 WeakPolarHBondContact CA-O 3.21Å; G679-C692 PolarHBondContact N-O 3.45Å; G679-C692 PolarHBondContact O-N 3.45Å; C692-T708 HydrophobicContact CB-CG2 4.03Å; C692-L709 CarbonylContact C-O 3.55Å; C692-L709 VanDerWaalsContact CA-O 3.32Å; C692-L709 WeakPolarHBondContact CA-O 3.23Å; C692-L749 HydrophobicContact CB-CD1 3.63Å |
| 693 | M | 92.3 | Very high | 77.8 | Confident | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 129.4 | 171.8 | -179.5 | -178.7 | 66.2 | 0 | 0 | 108.6 | L624 L643 I676 I678 L695 L709 L724 I727 A728 | L624-M693 HydrophobicContact CD1-CE 4.37Å; L643-M693 HydrophobicContact CD2-CE 4.25Å; I676-M693 HydrophobicContact CG2-CG 3.5Å; I676-M693 HydrophobicContact CG2-SD 4.01Å; I678-M693 HydrophobicContact CG1-CB 4.37Å; I678-M693 HydrophobicContact CG1-CG 4.19Å; M693-L695 HydrophobicContact CE-CD1 4.25Å; M693-L695 HydrophobicContact CE-CD2 3.88Å; M693-L695 HydrophobicContact CE-CG 4.13Å; M693-L695 HydrophobicContact CG-CD2 4.14Å; M693-L695 HydrophobicContact SD-CD2 3.94Å; M693-L709 PolarHBondContact N-O 2.93Å; M693-L709 PolarHBondContact O-N 2.78Å; M693-L724 HydrophobicContact CB-CB 4.22Å; M693-L724 HydrophobicContact CB-CD1 4.22Å; M693-L724 HydrophobicContact CB-CD2 3.94Å; M693-L724 HydrophobicContact CB-CG 4.36Å; M693-I727 HydrophobicContact CE-CG2 3.8Å; M693-I727 HydrophobicContact SD-CB 4.45Å; M693-I727 HydrophobicContact SD-CG2 4.14Å; M693-A728 HydrophobicContact SD-CB 4.17Å |
| 694 | R | 90.9 | Very high | 78.2 | Confident | 4 Ų | 4 | 70.8 Ų | 70.8 | 2% | 0.015 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 112.5 | 177.5 | -177.6 | 173.1 | -76.3 | 168.2 | -7.7 | 110.5 | I676 E677 H696 F706 H707 T708 L749 E750 | I676-R694 WeakPolarHBondContact CA-O 3.39Å; E677-R694 HydrophobicContact CB-CB 4.38Å; E677-R694 PolarHBondContact N-O 3.11Å; E677-R694 PolarHBondContact O-N 3.35Å; R694-H696 WeakPolarHBondContact CD-NE2 3.5Å; R694-F706 VanDerWaalsContact CD-CD2 3.44Å; R694-F706 HydrophobicContact CG-CB 3.73Å; R694-F706 HydrophobicContact CG-CD2 3.73Å; R694-F706 HydrophobicContact CG-CG 3.85Å; R694-F706 VanDerWaalsContact NE-CD2 3.33Å; R694-F706 VanDerWaalsContact NE-CE2 3.34Å; R694-H707 CarbonylContact C-O 3.59Å; R694-H707 VanDerWaalsContact CA-O 3.31Å; R694-H707 WeakPolarHBondContact CA-O 3.25Å; R694-T708 PolarHBondContact NE-OG1 2.9Å; R694-T708 PolarHBondContact NH2-OG1 3.44Å; R694-L749 HydrophobicContact CB-CD2 4.25Å; R694-E750 PolarHBondContact NH1-O 3.22Å |
| 695 | L | 90.9 | Very high | 79.2 | Confident | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 107.7 | 176.9 | -56.6 | 179.7 | 0 | 0 | 0 | 108.6 | L643 Y650 I652 L673 I676 M693 F706 H707 L709 L731 | L643-L695 HydrophobicContact CD1-CD1 4.31Å; L643-L695 HydrophobicContact CD2-CD1 4.46Å; Y650-L695 HydrophobicContact CD2-CD1 4.41Å; Y650-L695 HydrophobicContact CE2-CD1 4.03Å; I652-L695 HydrophobicContact CD1-CD1 4.35Å; L673-L695 HydrophobicContact CD1-CB 4.07Å; L673-L695 HydrophobicContact CD1-CD2 4.49Å; I676-L695 HydrophobicContact CB-CD2 4.44Å; I676-L695 HydrophobicContact CD1-CD2 3.65Å; I676-L695 HydrophobicContact CG1-CD2 3.66Å; I676-L695 HydrophobicContact CG2-CD2 4.12Å; M693-L695 HydrophobicContact CE-CD1 4.25Å; M693-L695 HydrophobicContact CE-CD2 3.88Å; M693-L695 HydrophobicContact CE-CG 4.13Å; M693-L695 HydrophobicContact CG-CD2 4.14Å; M693-L695 HydrophobicContact SD-CD2 3.94Å; L695-F706 CarbonylContact O-C 3.57Å; L695-F706 WeakPolarHBondContact O-CA 3.47Å; L695-F706 WeakPolarHBondContact O-CB 3.48Å; L695-H707 PolarHBondContact N-O 3.23Å; L695-H707 PolarHBondContact O-N 2.8Å; L695-L709 HydrophobicContact CD1-CD1 4.29Å; L695-L731 HydrophobicContact CD2-CD1 3.89Å |
| 696 | H | 89.1 | Confident | 80.6 | Confident | 19 Ų | 19 | 57.8 Ų | 57.8 | 9% | 0.088 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 130.8 | 176.4 | -66.7 | -113.3 | 0 | 0 | 0 | 110.1 | E674 K675 E677 R694 F706 | E674-H696 PolarHBondContact N-O 3Å; K675-H696 VanDerWaalsContact CE-CG 3.44Å; K675-H696 WeakPolarHBondContact CE-ND1 3.39Å; K675-H696 HydrophobicContact CG-CB 3.71Å; K675-H696 PolarHBondContact O-N 3.29Å; E677-H696 IonicContact OE1-CE1 2.72Å; E677-H696 IonicContact OE1-NE2 2.67Å; E677-H696 IonicContact OE2-CD2 2.61Å; E677-H696 IonicContact OE2-CE1 2.89Å; E677-H696 PolarHBondContact OE2-CE1 3.32Å; E677-H696 IonicContact OE2-NE2 2.62Å; E677-H696 PolarHBondContact OE2-NE2 2.75Å; R694-H696 WeakPolarHBondContact CD-NE2 3.5Å; H696-F706 HydrophobicContact CB-CB 4.46Å |
| 697 | Y | 88.6 | Confident | 81.7 | Confident | 1 Ų | 1 | 54.4 Ų | 54.4 | 0% | 0.004 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 163 | -177.2 | 81 | -88.7 | 0 | 0 | 0 | 112.8 | Y650 Q666 L668 G672 Y705 H707 H757 | Y650-Y697 WeakPolarHBondContact OH-CB 2.78Å; Q666-Y697 PolarHBondContact NE2-OH 3.13Å; Q666-Y697 VanDerWaalsContact NE2-OH 3.12Å; L668-Y697 HydrophobicContact CD1-CD1 3.95Å; L668-Y697 HydrophobicContact CD1-CD2 4.07Å; L668-Y697 HydrophobicContact CD1-CE1 4.02Å; L668-Y697 HydrophobicContact CD1-CE2 4.16Å; L668-Y697 HydrophobicContact CD1-CG 3.99Å; L668-Y697 HydrophobicContact CD2-CD2 3.7Å; L668-Y697 HydrophobicContact CD2-CE2 3.58Å; L668-Y697 HydrophobicContact CD2-CG 4.43Å; L668-Y697 HydrophobicContact CG-CD2 4.5Å; G672-Y697 CarbonylContact O-C 3.55Å; G672-Y697 WeakPolarHBondContact O-CA 3.33Å; G672-Y697 WeakPolarHBondContact O-CB 3.49Å; Y697-Y705 VanDerWaalsContact CE1-CB 3.43Å; Y697-Y705 HydrophobicContact CE1-CG 4.49Å; Y697-Y705 HydrophobicContact CE2-CG 4.23Å; Y697-Y705 AromaticContact CZ-CG 3.99Å; Y697-Y705 PolarHBondContact N-O 3.47Å; Y697-H707 AromaticContact CD1-CD2 3.92Å; Y697-H707 AromaticContact CE1-CD2 3.58Å; Y697-H707 AromaticContact CE1-NE2 3.55Å; Y697-H757 AromaticContact CE1-ND1 3.7Å; Y697-H757 AromaticContact CZ-ND1 3.75Å; Y697-H757 PolarHBondContact OH-ND1 3.16Å |
| 698 | R | 84.4 | Confident | 82.4 | Confident | 136 Ų | 136 | 45.2 Ų | 45.2 | 51% | 0.513 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 131.2 | 178.5 | -165.7 | 179.1 | -60.7 | 170.1 | 4.3 | 110.5 | G672 E674 E701 T702 | G672-R698 PolarHBondContact O-N 3.07Å; E674-R698 HydrophobicContact CG-CB 4.33Å; E674-R698 IonicContact OE1-CZ 3.25Å; E674-R698 VanDerWaalsContact OE1-CZ 3.22Å; E674-R698 IonicContact OE1-NE 2.71Å; E674-R698 PolarHBondContact OE1-NE 3.18Å; E674-R698 IonicContact OE1-NH2 2.98Å; E674-R698 PolarHBondContact OE1-NH2 3.04Å; R698-E701 WeakPolarHBondContact CD-O 3.22Å; R698-T702 WeakPolarHBondContact CA-O 3.44Å; R698-T702 WeakPolarHBondContact CG-O 3.45Å |
| 699 | S | 72.6 | Confident | 83.1 | Confident | 8 Ų | 8 | 42.1 Ų | 42.1 | 6% | 0.056 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 126.7 | 173 | -122.8 | 0 | 0 | 0 | 0 | 108.1 | E701 T702 | S699-E701 PolarHBondContact O-N 2.93Å; S699-T702 PolarHBondContact N-O 2.76Å; S699-T702 WeakPolarHBondContact O-CA 3.45Å; S699-T702 WeakPolarHBondContact O-CB 3.22Å; S699-T702 PolarHBondContact O-N 2.97Å |
| 700 | Q | 67.9 | Low | 83.8 | Confident | 140 Ų | 140 | 35.7 Ų | 35.7 | 65% | 0.654 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 47.1 | 58.5 | 176.9 | -55.2 | -177.5 | 31.2 | 0 | 0 | 112.5 | T702 | Q700-T702 PolarHBondContact O-N 2.98Å; Q700-T702 PolarHBondContact O-OG1 3.45Å |
| 701 | E | 67.9 | Low | 83.8 | Confident | 183 Ų | 183 | 33.6 Ų | 33.6 | 86% | 0.855 | 17% | 0.172 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.9 | -8.6 | -172.5 | -57.7 | -163.5 | 145.4 | 0 | 0 | 116.9 | R698 S699 | R698-E701 WeakPolarHBondContact CD-O 3.22Å; S699-E701 PolarHBondContact O-N 2.93Å |
| 702 | T | 75.3 | Confident | 83.3 | Confident | 59 Ų | 59 | 34.5 Ų | 34.5 | 36% | 0.362 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 125 | -175.6 | -64.7 | 0 | 0 | 0 | 0 | 111.5 | R698 S699 Q700 Y705 K755 | R698-T702 WeakPolarHBondContact CA-O 3.44Å; R698-T702 WeakPolarHBondContact CG-O 3.45Å; S699-T702 PolarHBondContact N-O 2.76Å; S699-T702 WeakPolarHBondContact O-CA 3.45Å; S699-T702 WeakPolarHBondContact O-CB 3.22Å; S699-T702 PolarHBondContact O-N 2.97Å; Q700-T702 PolarHBondContact O-N 2.98Å; Q700-T702 PolarHBondContact O-OG1 3.45Å; T702-Y705 HydrophobicContact CG2-CE2 3.95Å; T702-Y705 WeakPolarHBondContact O-CD2 3.23Å; T702-Y705 VanDerWaalsContact O-CE2 3.3Å; T702-Y705 WeakPolarHBondContact O-CE2 3.41Å; T702-K755 HydrophobicContact CG2-CD 4.46Å |
| 703 | S | 77.9 | Confident | 82.4 | Confident | 62 Ų | 62 | 36.2 Ų | 36.2 | 43% | 0.434 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 168.9 | 176.3 | 63 | 0 | 0 | 0 | 0 | 112.8 | E674 K755 | E674-S703 WeakPolarHBondContact OE2-CB 3.45Å; S703-K755 PolarHBondContact O-NZ 3.06Å |
| 704 | G | 77.8 | Confident | 80.9 | Confident | 33 Ų | 33 | 43.8 Ų | 43.8 | 34% | 0.34 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 94.8 | 18.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 705 | Y | 85.1 | Confident | 79.8 | Confident | 14 Ų | 14 | 47.6 Ų | 47.6 | 6% | 0.055 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 141.2 | 161 | -55.1 | -96.1 | 0 | 0 | 0 | 108.8 | Y697 T702 S754 K755 P756 | Y697-Y705 VanDerWaalsContact CE1-CB 3.43Å; Y697-Y705 HydrophobicContact CE1-CG 4.49Å; Y697-Y705 HydrophobicContact CE2-CG 4.23Å; Y697-Y705 AromaticContact CZ-CG 3.99Å; Y697-Y705 PolarHBondContact N-O 3.47Å; T702-Y705 HydrophobicContact CG2-CE2 3.95Å; T702-Y705 WeakPolarHBondContact O-CD2 3.23Å; T702-Y705 VanDerWaalsContact O-CE2 3.3Å; T702-Y705 WeakPolarHBondContact O-CE2 3.41Å; Y705-S754 WeakPolarHBondContact CA-OG 3.46Å; Y705-K755 HydrophobicContact CD1-CB 3.5Å; Y705-K755 VanDerWaalsContact CD1-CB 3.5Å; Y705-K755 HydrophobicContact CD2-CD 4.39Å; Y705-K755 HydrophobicContact CE1-CB 3.43Å; Y705-K755 VanDerWaalsContact CE1-CB 3.43Å; Y705-K755 HydrophobicContact CE1-CD 4.15Å; Y705-K755 HydrophobicContact CE1-CG 4.45Å; Y705-K755 HydrophobicContact CE2-CD 4.01Å; Y705-K755 HydrophobicContact CG-CB 4.16Å; Y705-P756 WeakPolarHBondContact CE1-O 3.45Å |
| 706 | F | 88.3 | Confident | 78.5 | Confident | 11 Ų | 11 | 52.8 Ų | 52.8 | 5% | 0.048 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 152.5 | 172.5 | 56.6 | -102.3 | 0 | 0 | 0 | 112.6 | R694 L695 H696 R752 S754 H757 | R694-F706 VanDerWaalsContact CD-CD2 3.44Å; R694-F706 HydrophobicContact CG-CB 3.73Å; R694-F706 HydrophobicContact CG-CD2 3.73Å; R694-F706 HydrophobicContact CG-CG 3.85Å; R694-F706 VanDerWaalsContact NE-CD2 3.33Å; R694-F706 VanDerWaalsContact NE-CE2 3.34Å; L695-F706 CarbonylContact O-C 3.57Å; L695-F706 WeakPolarHBondContact O-CA 3.47Å; L695-F706 WeakPolarHBondContact O-CB 3.48Å; H696-F706 HydrophobicContact CB-CB 4.46Å; F706-R752 HydrophobicContact CZ-CB 4.35Å; F706-R752 WeakPolarHBondContact CZ-O 3.33Å; F706-S754 VanDerWaalsContact CZ-N 3.27Å; F706-S754 PolarHBondContact N-OG 2.93Å; F706-S754 VanDerWaalsContact O-CB 3.24Å; F706-S754 WeakPolarHBondContact O-CB 3.42Å; F706-S754 PolarHBondContact O-OG 3.13Å; F706-H757 PolarHBondContact O-CE1 2.92Å |
| 707 | H | 87.4 | Confident | 77.5 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 123.4 | 172.2 | -70.2 | -74.3 | 0 | 0 | 0 | 109.4 | I652 Y654 Q666 R694 L695 Y697 H757 | I652-H707 HydrophobicContact CD1-CB 3.9Å; I652-H707 WeakPolarHBondContact CD1-CD2 3.17Å; Y654-H707 PolarHBondContact OH-CE1 3.1Å; Y654-H707 PolarHBondContact OH-ND1 3.31Å; Q666-H707 PolarHBondContact OE1-CE1 3.07Å; Q666-H707 PolarHBondContact OE1-NE2 3.46Å; R694-H707 CarbonylContact C-O 3.59Å; R694-H707 VanDerWaalsContact CA-O 3.31Å; R694-H707 WeakPolarHBondContact CA-O 3.25Å; L695-H707 PolarHBondContact N-O 3.23Å; L695-H707 PolarHBondContact O-N 2.8Å; Y697-H707 AromaticContact CD1-CD2 3.92Å; Y697-H707 AromaticContact CE1-CD2 3.58Å; Y697-H707 AromaticContact CE1-NE2 3.55Å; H707-H757 AromaticContact CE1-CE1 3.41Å; H707-H757 PolarHBondContact CE1-CE1 3.41Å; H707-H757 VanDerWaalsContact CE1-CE1 3.41Å; H707-H757 AromaticContact CE1-CG 3.95Å; H707-H757 AromaticContact CE1-ND1 3.48Å; H707-H757 PolarHBondContact CE1-ND1 3.47Å; H707-H757 AromaticContact CE1-NE2 3.87Å; H707-H757 AromaticContact ND1-CE1 3.69Å; H707-H757 AromaticContact NE2-CE1 3.79Å; H707-H757 AromaticContact NE2-ND1 3.64Å |
| 708 | T | 89.2 | Confident | 77.1 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 112.7 | 176.9 | -46.5 | 0 | 0 | 0 | 0 | 110 | N626 C627 D628 C692 R694 L749 | N626-T708 PolarHBondContact OD1-O 3.22Å; C627-T708 HydrophobicContact CB-CG2 4.06Å; C627-T708 PolarHBondContact N-O 3.48Å; D628-T708 WeakPolarHBondContact OD1-CB 3.42Å; D628-T708 PolarHBondContact OD1-OG1 3.04Å; D628-T708 PolarHBondContact OD2-N 3.46Å; C692-T708 HydrophobicContact CB-CG2 4.03Å; R694-T708 PolarHBondContact NE-OG1 2.9Å; R694-T708 PolarHBondContact NH2-OG1 3.44Å; T708-L749 HydrophobicContact CG2-CD1 4.44Å |
| 709 | L | 88.6 | Confident | 76.7 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 151.8 | -172.6 | -55 | 176 | 0 | 0 | 0 | 111.4 | L624 I625 V641 C692 M693 L695 | L624-L709 HydrophobicContact CB-CB 4.39Å; L624-L709 HydrophobicContact CD1-CB 4.11Å; L624-L709 HydrophobicContact CD1-CD1 3.8Å; I625-L709 CarbonylContact O-C 3.56Å; I625-L709 WeakPolarHBondContact O-CA 3.39Å; V641-L709 HydrophobicContact CB-CD2 4.32Å; V641-L709 HydrophobicContact CG1-CD2 4.08Å; V641-L709 HydrophobicContact CG2-CD2 4.32Å; C692-L709 CarbonylContact C-O 3.55Å; C692-L709 VanDerWaalsContact CA-O 3.32Å; C692-L709 WeakPolarHBondContact CA-O 3.23Å; M693-L709 PolarHBondContact N-O 2.93Å; M693-L709 PolarHBondContact O-N 2.78Å; L695-L709 HydrophobicContact CD1-CD1 4.29Å |
| 710 | R | 87.3 | Confident | 77.2 | Confident | 23 Ų | 23 | 58.7 Ų | 58.7 | 9% | 0.087 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 160.4 | 169.4 | 73.7 | 175.9 | 173.8 | 90.3 | -6.3 | 112.9 | L624 I625 C627 D638 | L624-R710 WeakPolarHBondContact CA-O 3.33Å; L624-R710 WeakPolarHBondContact CB-O 3.34Å; I625-R710 HydrophobicContact CB-CG 3.93Å; I625-R710 HydrophobicContact CG2-CG 4.34Å; I625-R710 PolarHBondContact N-O 3.09Å; I625-R710 PolarHBondContact O-N 3.27Å; C627-R710 WeakPolarHBondContact SG-CD 3.39Å; C627-R710 WeakPolarHBondContact SG-CG 3.16Å; D638-R710 IonicContact OD1-CZ 3.78Å; D638-R710 IonicContact OD1-NH2 2.61Å; D638-R710 PolarHBondContact OD1-NH2 2.7Å; D638-R710 IonicContact OD2-CZ 3.6Å; D638-R710 IonicContact OD2-NH2 3.9Å; D638-R710 PolarHBondContact OD2-NH2 3.48Å |
| 711 | A | 83.1 | Confident | 78 | Confident | 7 Ų | 7 | 54.4 Ų | 54.4 | 6% | 0.058 | 29% | 0.294 | C | S | . | . | trans | -73.6 | 154.4 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | T713 T723 L724 | A711-T713 PolarHBondContact O-N 2.73Å; A711-T723 HydrophobicContact CB-CG2 4.06Å; A711-L724 HydrophobicContact CB-CD2 4.34Å; A711-L724 HydrophobicContact CB-CG 4.33Å | ||
| 712 | A | 75.1 | Confident | 78.6 | Confident | 24 Ų | 24 | 50.9 Ų | 50.9 | 20% | 0.198 | 28% | 0.282 | C | S | . | . | trans | -97.6 | 78.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | I625 | I625-A712 HydrophobicContact CD1-CB 3.8Å; I625-A712 HydrophobicContact CG1-CB 4.41Å | ||
| 713 | T | 70.6 | Confident | 78.8 | Confident | 37 Ų | 37 | 51.3 Ų | 51.3 | 23% | 0.227 | 28% | 0.284 | C | S | . | . | trans | -72.3 | 146.7 | -178.5 | 58.7 | 0 | 0 | 0 | 0 | 111.9 | A711 D718 | A711-T713 PolarHBondContact O-N 2.73Å; T713-D718 HydrophobicContact CG2-CB 4.22Å; T713-D718 VanDerWaalsContact CG2-CG 3.48Å; T713-D718 VanDerWaalsContact CG2-OD2 3.25Å; T713-D718 WeakPolarHBondContact CG2-OD2 3.34Å; T713-D718 PolarHBondContact OG1-O 2.82Å; T713-D718 VanDerWaalsContact OG1-O 3.09Å | ||
| 714 | R | 61.9 | Low | 79.2 | Confident | 159 Ų | 159 | 48.4 Ų | 48.4 | 60% | 0.6 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -96.4 | -21.1 | 176.2 | -82.4 | -176.5 | 165.5 | 177.6 | -4.1 | 113.4 | S1073 | R714-S1073 PolarHBondContact NH1-OG 3.4Å; R714-S1073 VanDerWaalsContact NH2-CA 3.35Å; R714-S1073 PolarHBondContact NH2-OG 3.31Å |
| 715 | N | 66.5 | Low | 79.6 | Confident | 83 Ų | 83 | 49.3 Ų | 49.3 | 44% | 0.444 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -98.4 | 125.3 | 176.8 | -176.9 | 26.9 | 0 | 0 | 0 | 108.4 | D717 D718 | N715-D717 PolarHBondContact O-N 3.31Å; N715-D718 HydrophobicContact CB-CB 3.97Å; N715-D718 PolarHBondContact O-N 3.34Å |
| 716 | P | 63.7 | Low | 79.4 | Confident | 110 Ų | 110 | 51.8 Ų | 51.8 | 71% | 0.714 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -15.4 | 178.9 | 27.8 | -36.6 | 0 | 0 | 0 | 114.2 | ||
| 717 | D | 69.3 | Low | 79.3 | Confident | 147 Ų | 147 | 51.3 Ų | 51.3 | 79% | 0.786 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | 3.1 | 176.2 | -55.8 | -44.7 | 0 | 0 | 0 | 113.3 | N715 | N715-D717 PolarHBondContact O-N 3.31Š|
| 718 | D | 78.6 | Confident | 79.3 | Confident | 66 Ų | 66 | 51.3 Ų | 51.3 | 35% | 0.353 | 28% | 0.276 | S | S | . | . | trans | -104.7 | 116.6 | 177.5 | 171.3 | 15.3 | 0 | 0 | 0 | 110.1 | T713 N715 G720 | T713-D718 HydrophobicContact CG2-CB 4.22Å; T713-D718 VanDerWaalsContact CG2-CG 3.48Å; T713-D718 VanDerWaalsContact CG2-OD2 3.25Å; T713-D718 WeakPolarHBondContact CG2-OD2 3.34Å; T713-D718 PolarHBondContact OG1-O 2.82Å; T713-D718 VanDerWaalsContact OG1-O 3.09Å; N715-D718 HydrophobicContact CB-CB 3.97Å; N715-D718 PolarHBondContact O-N 3.34Å; D718-G720 VanDerWaalsContact C-N 3.29Å; D718-G720 PolarHBondContact O-N 2.96Å; D718-G720 WeakPolarHBondContact OD1-CA 3.49Å; D718-G720 PolarHBondContact OD1-N 3.43Å | ||
| 719 | D | 77.7 | Confident | 79.1 | Confident | 74 Ų | 74 | 56.5 Ų | 56.5 | 40% | 0.396 | 30% | 0.3 | S | S | . | . | trans | -80.2 | -9 | -178.5 | 84.5 | -14.2 | 0 | 0 | 0 | 113.6 | C691 K721 | C691-D719 HydrophobicContact CB-CB 4.45Å; C691-D719 WeakPolarHBondContact CB-O 3.37Å; C691-D719 PolarHBondContact N-O 3.05Å; D719-K721 VanDerWaalsContact OD1-CB 3.24Å; D719-K721 WeakPolarHBondContact OD1-CB 3.43Å; D719-K721 PolarHBondContact OD1-N 3.35Å | ||
| 720 | G | 81.1 | Confident | 78.8 | Confident | 1 Ų | 1 | 60.1 Ų | 60.1 | 1% | 0.01 | 32% | 0.318 | C | S | . | . | trans | 78.5 | 6.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | D718 D722 T723 L724 | D718-G720 VanDerWaalsContact C-N 3.29Å; D718-G720 PolarHBondContact O-N 2.96Å; D718-G720 WeakPolarHBondContact OD1-CA 3.49Å; D718-G720 PolarHBondContact OD1-N 3.43Å; G720-D722 PolarHBondContact O-N 3.25Å; G720-T723 PolarHBondContact O-N 2.88Å; G720-L724 PolarHBondContact O-N 2.84Å | ||
| 721 | K | 84.7 | Confident | 78.7 | Confident | 49 Ų | 49 | 59 Ų | 59 | 21% | 0.213 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -54.8 | -51 | -174.6 | -173.3 | -171 | -172.8 | -109.7 | 0 | 112.8 | I678 C691 D719 T723 L724 Q725 E746 | I678-K721 HydrophobicContact CG2-CG 4.5Å; C691-K721 HydrophobicContact CB-CB 4.09Å; D719-K721 VanDerWaalsContact OD1-CB 3.24Å; D719-K721 WeakPolarHBondContact OD1-CB 3.43Å; D719-K721 PolarHBondContact OD1-N 3.35Å; K721-T723 VanDerWaalsContact C-N 3.27Å; K721-T723 PolarHBondContact O-N 3.49Å; K721-L724 WeakPolarHBondContact O-CB 3.35Å; K721-L724 PolarHBondContact O-N 3.24Å; K721-Q725 PolarHBondContact O-N 2.97Å; K721-E746 WeakPolarHBondContact CE-OE2 3.48Å; K721-E746 IonicContact NZ-OE1 2.75Å; K721-E746 PolarHBondContact NZ-OE1 3.04Å; K721-E746 IonicContact NZ-OE2 3.26Å; K721-E746 PolarHBondContact NZ-OE2 2.89Å |
| 722 | D | 80.9 | Confident | 78.8 | Confident | 110 Ų | 110 | 63.1 Ų | 63.1 | 59% | 0.588 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -59.4 | -38.5 | -173.8 | -66.1 | -2.5 | 0 | 0 | 0 | 112 | G720 Q725 C726 | G720-D722 PolarHBondContact O-N 3.25Å; D722-Q725 PolarHBondContact O-N 3.3Å; D722-C726 PolarHBondContact O-N 2.65Å; D722-C726 VanDerWaalsContact O-N 3.07Å; D722-C726 PolarHBondContact O-SG 3.47Å; D722-C726 VanDerWaalsContact O-SG 3.34Å |
| 723 | T | 80.4 | Confident | 79.3 | Confident | 68 Ų | 68 | 67.1 Ų | 67.1 | 42% | 0.417 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.5 | -43.6 | 175.8 | -63.2 | 0 | 0 | 0 | 0 | 111.3 | A711 G720 K721 Q725 I727 | A711-T723 HydrophobicContact CB-CG2 4.06Å; G720-T723 PolarHBondContact O-N 2.88Å; K721-T723 VanDerWaalsContact C-N 3.27Å; K721-T723 PolarHBondContact O-N 3.49Å; T723-Q725 VanDerWaalsContact C-N 3.33Å; T723-I727 HydrophobicContact CG2-CD1 4.19Å; T723-I727 WeakPolarHBondContact O-CD1 3.41Å; T723-I727 VanDerWaalsContact O-CG1 3.28Å; T723-I727 WeakPolarHBondContact O-CG1 3.42Å; T723-I727 PolarHBondContact O-N 3.47Å |
| 724 | L | 86.3 | Confident | 80 | Confident | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -68.5 | -33.6 | 178 | -64.3 | 175.2 | 0 | 0 | 0 | 112.2 | L624 C691 M693 A711 G720 K721 I727 A728 | L624-L724 HydrophobicContact CD2-CD2 4.2Å; C691-L724 HydrophobicContact CB-CD1 4.43Å; C691-L724 WeakPolarHBondContact O-CD1 3.24Å; M693-L724 HydrophobicContact CB-CB 4.22Å; M693-L724 HydrophobicContact CB-CD1 4.22Å; M693-L724 HydrophobicContact CB-CD2 3.94Å; M693-L724 HydrophobicContact CB-CG 4.36Å; A711-L724 HydrophobicContact CB-CD2 4.34Å; A711-L724 HydrophobicContact CB-CG 4.33Å; G720-L724 PolarHBondContact O-N 2.84Å; K721-L724 WeakPolarHBondContact O-CB 3.35Å; K721-L724 PolarHBondContact O-N 3.24Å; L724-I727 PolarHBondContact O-N 2.88Å; L724-A728 PolarHBondContact O-N 2.88Å |
| 725 | Q | 85.2 | Confident | 81.1 | Confident | 52 Ų | 52 | 59 Ų | 59 | 24% | 0.243 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -65 | -46.2 | 176.7 | -164.3 | 135.2 | 15.5 | 0 | 0 | 110.9 | K721 D722 T723 I727 A728 E729 E746 | K721-Q725 PolarHBondContact O-N 2.97Å; D722-Q725 PolarHBondContact O-N 3.3Å; T723-Q725 VanDerWaalsContact C-N 3.33Å; Q725-I727 VanDerWaalsContact C-N 3.33Å; Q725-I727 PolarHBondContact O-N 3.48Å; Q725-A728 PolarHBondContact O-N 2.94Å; Q725-E729 WeakPolarHBondContact O-CG 3.46Å; Q725-E729 PolarHBondContact O-N 2.89Å; Q725-E746 PolarHBondContact NE2-OE1 2.93Å; Q725-E746 PolarHBondContact OE1-OE1 3.31Å |
| 726 | C | 82.1 | Confident | 82 | Confident | 66 Ų | 66 | 59.1 Ų | 59.1 | 45% | 0.446 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -61.1 | -36.6 | 173.9 | -64.3 | 0 | 0 | 0 | 0 | 113.4 | D722 M730 | D722-C726 PolarHBondContact O-N 2.65Å; D722-C726 VanDerWaalsContact O-N 3.07Å; D722-C726 PolarHBondContact O-SG 3.47Å; D722-C726 VanDerWaalsContact O-SG 3.34Å; C726-M730 PolarHBondContact O-N 2.93Å |
| 727 | I | 85.5 | Confident | 82.8 | Confident | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.005 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -66.9 | -44.4 | 176.5 | -65.4 | 166.3 | 0 | 0 | 0 | 110.7 | W622 L624 L643 M693 T723 L724 Q725 E729 M730 L731 | W622-I727 HydrophobicContact CB-CD1 4.05Å; W622-I727 HydrophobicContact CD2-CD1 4.19Å; W622-I727 HydrophobicContact CD2-CG1 3.83Å; W622-I727 HydrophobicContact CD2-CG2 4.27Å; W622-I727 HydrophobicContact CE3-CG2 4.18Å; W622-I727 HydrophobicContact CG-CD1 3.73Å; W622-I727 HydrophobicContact CG-CG1 3.83Å; W622-I727 HydrophobicContact CZ2-CG1 4.3Å; W622-I727 HydrophobicContact CZ3-CG2 4.32Å; L624-I727 HydrophobicContact CD1-CD1 4.37Å; L624-I727 HydrophobicContact CD2-CD1 3.89Å; L643-I727 HydrophobicContact CD2-CG2 3.81Å; M693-I727 HydrophobicContact CE-CG2 3.8Å; M693-I727 HydrophobicContact SD-CB 4.45Å; M693-I727 HydrophobicContact SD-CG2 4.14Å; T723-I727 HydrophobicContact CG2-CD1 4.19Å; T723-I727 WeakPolarHBondContact O-CD1 3.41Å; T723-I727 VanDerWaalsContact O-CG1 3.28Å; T723-I727 WeakPolarHBondContact O-CG1 3.42Å; T723-I727 PolarHBondContact O-N 3.47Å; L724-I727 PolarHBondContact O-N 2.88Å; Q725-I727 VanDerWaalsContact C-N 3.33Å; Q725-I727 PolarHBondContact O-N 3.48Å; I727-E729 VanDerWaalsContact C-N 3.34Å; I727-E729 PolarHBondContact O-N 3.47Å; I727-M730 PolarHBondContact O-N 3.08Å; I727-L731 HydrophobicContact CG2-CD1 4.07Å; I727-L731 WeakPolarHBondContact O-CG 3.5Å; I727-L731 PolarHBondContact O-N 3.26Å |
| 728 | A | 87.6 | Confident | 83.2 | Confident | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.008 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65 | -36.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | I676 I678 M693 L724 Q725 R732 V744 | I676-A728 HydrophobicContact CD1-CB 3.8Å; I676-A728 HydrophobicContact CG2-CB 4.02Å; I678-A728 HydrophobicContact CD1-CB 3.88Å; M693-A728 HydrophobicContact SD-CB 4.17Å; L724-A728 PolarHBondContact O-N 2.88Å; Q725-A728 PolarHBondContact O-N 2.94Å; A728-R732 WeakPolarHBondContact O-CB 3.28Å; A728-R732 PolarHBondContact O-N 3.14Å; A728-V744 HydrophobicContact CB-CG1 4Å; A728-V744 HydrophobicContact CB-CG2 4.31Å |
| 729 | E | 84.8 | Confident | 83 | Confident | 109 Ų | 109 | 54.3 Ų | 54.3 | 51% | 0.509 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -65 | -43.7 | 172.9 | -74.7 | -180 | 172.4 | 0 | 0 | 112.1 | Q725 I727 L731 R732 I733 | Q725-E729 WeakPolarHBondContact O-CG 3.46Å; Q725-E729 PolarHBondContact O-N 2.89Å; I727-E729 VanDerWaalsContact C-N 3.34Å; I727-E729 PolarHBondContact O-N 3.47Å; E729-L731 PolarHBondContact O-N 3.31Å; E729-R732 PolarHBondContact O-N 2.88Å; E729-I733 VanDerWaalsContact O-CG1 3.28Å; E729-I733 WeakPolarHBondContact O-CG1 3.48Å; E729-I733 PolarHBondContact O-N 3.49Å |
| 730 | M | 82.8 | Confident | 83.1 | Confident | 76 Ų | 76 | 54.3 Ų | 54.3 | 37% | 0.374 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -66.3 | -38.7 | 178.3 | -164.7 | 176.1 | -64.3 | 0 | 0 | 112.5 | W622 L645 C726 I727 T734 | W622-M730 HydrophobicContact CH2-CB 4.22Å; W622-M730 HydrophobicContact CH2-CG 4.23Å; W622-M730 HydrophobicContact CH2-SD 3.59Å; W622-M730 VanDerWaalsContact CH2-SD 3.59Å; W622-M730 HydrophobicContact CZ2-CB 4.26Å; W622-M730 HydrophobicContact CZ2-CE 4.07Å; W622-M730 HydrophobicContact CZ2-CG 4.4Å; W622-M730 HydrophobicContact CZ2-SD 3.48Å; W622-M730 WeakPolarHBondContact CZ2-SD 3.43Å; L645-M730 HydrophobicContact CD2-CG 4.1Å; C726-M730 PolarHBondContact O-N 2.93Å; I727-M730 PolarHBondContact O-N 3.08Å; M730-T734 WeakPolarHBondContact O-CB 3.39Å; M730-T734 PolarHBondContact O-N 2.91Å; M730-T734 PolarHBondContact O-OG1 2.83Å |
| 731 | L | 85.1 | Confident | 83.1 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -60.8 | -42.8 | 170.8 | -76.5 | 163.7 | 0 | 0 | 0 | 111.7 | L645 L670 L673 I676 L695 I727 E729 K735 L742 | L645-L731 HydrophobicContact CD1-CD2 3.71Å; L645-L731 HydrophobicContact CD2-CD2 3.97Å; L645-L731 HydrophobicContact CD2-CG 4.29Å; L645-L731 HydrophobicContact CG-CD2 4.37Å; L670-L731 HydrophobicContact CD2-CD2 4.22Å; L673-L731 HydrophobicContact CD2-CD2 4.32Å; I676-L731 HydrophobicContact CD1-CB 4.01Å; I676-L731 HydrophobicContact CD1-CD1 3.78Å; L695-L731 HydrophobicContact CD2-CD1 3.89Å; I727-L731 HydrophobicContact CG2-CD1 4.07Å; I727-L731 WeakPolarHBondContact O-CG 3.5Å; I727-L731 PolarHBondContact O-N 3.26Å; E729-L731 PolarHBondContact O-N 3.31Å; L731-K735 WeakPolarHBondContact O-CB 3.33Å; L731-K735 PolarHBondContact O-N 3.38Å; L731-L742 HydrophobicContact CB-CD2 4.11Å |
| 732 | R | 86.2 | Confident | 83.2 | Confident | 92 Ų | 92 | 56.2 Ų | 56.2 | 35% | 0.347 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -65 | -50 | 177.7 | -180 | 172.1 | -165.4 | -159.9 | 3.6 | 112.3 | A728 E729 T734 K735 Q736 D741 L742 V744 | A728-R732 WeakPolarHBondContact O-CB 3.28Å; A728-R732 PolarHBondContact O-N 3.14Å; E729-R732 PolarHBondContact O-N 2.88Å; R732-T734 VanDerWaalsContact C-N 3.28Å; R732-T734 PolarHBondContact O-N 3.09Å; R732-K735 PolarHBondContact O-N 3.04Å; R732-Q736 HydrophobicContact CG-CG 4.32Å; R732-Q736 VanDerWaalsContact NE-NE2 3.18Å; R732-Q736 WeakPolarHBondContact O-CB 3.11Å; R732-Q736 VanDerWaalsContact O-CG 3.29Å; R732-Q736 WeakPolarHBondContact O-CG 3.27Å; R732-Q736 PolarHBondContact O-N 3.39Å; R732-D741 IonicContact CZ-OD1 3.74Å; R732-D741 IonicContact CZ-OD2 3.97Å; R732-D741 IonicContact NE-OD1 3.94Å; R732-D741 PolarHBondContact NE-OD1 2.81Å; R732-D741 IonicContact NH2-OD1 2.74Å; R732-D741 PolarHBondContact NH2-OD1 3.36Å; R732-D741 VanDerWaalsContact NH2-OD1 3.12Å; R732-D741 IonicContact NH2-OD2 2.74Å; R732-D741 PolarHBondContact NH2-OD2 2.95Å; R732-L742 HydrophobicContact CB-CB 4.18Å; R732-L742 HydrophobicContact CB-CD2 4.32Å; R732-L742 WeakPolarHBondContact CD-O 3.34Å; R732-L742 HydrophobicContact CG-CB 4.1Å; R732-L742 PolarHBondContact NE-O 3.47Å; R732-L742 VanDerWaalsContact NE-O 3.12Å; R732-V744 HydrophobicContact CB-CG2 4.42Å |
| 733 | I | 85.3 | Confident | 83.5 | Confident | 108 Ų | 108 | 56.1 Ų | 56.1 | 55% | 0.554 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -60.2 | -41.7 | -179.8 | -68 | 162.9 | 0 | 0 | 0 | 110.4 | E729 Q736 A737 | E729-I733 VanDerWaalsContact O-CG1 3.28Å; E729-I733 WeakPolarHBondContact O-CG1 3.48Å; E729-I733 PolarHBondContact O-N 3.49Å; I733-Q736 PolarHBondContact O-N 2.89Å; I733-A737 PolarHBondContact O-N 2.87Å |
| 734 | T | 84.1 | Confident | 83.9 | Confident | 10 Ų | 10 | 55.1 Ų | 55.1 | 6% | 0.061 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -64.4 | -46.8 | 177.8 | -55.3 | 0 | 0 | 0 | 0 | 111.6 | H619 L645 S646 L670 M730 R732 Q736 A737 S738 | H619-T734 VanDerWaalsContact ND1-CG2 3.29Å; H619-T734 WeakPolarHBondContact ND1-CG2 3.34Å; L645-T734 HydrophobicContact CD1-CG2 4.2Å; L645-T734 HydrophobicContact CG-CG2 4.45Å; S646-T734 VanDerWaalsContact O-CG2 3.31Å; S646-T734 WeakPolarHBondContact O-CG2 3.29Å; L670-T734 HydrophobicContact CD1-CG2 3.66Å; M730-T734 WeakPolarHBondContact O-CB 3.39Å; M730-T734 PolarHBondContact O-N 2.91Å; M730-T734 PolarHBondContact O-OG1 2.83Å; R732-T734 VanDerWaalsContact C-N 3.28Å; R732-T734 PolarHBondContact O-N 3.09Å; T734-Q736 VanDerWaalsContact C-N 3.31Å; T734-Q736 PolarHBondContact O-N 3.5Å; T734-A737 WeakPolarHBondContact O-CB 3.49Å; T734-A737 PolarHBondContact O-N 3.18Å; T734-S738 PolarHBondContact O-N 3.24Å; T734-S738 PolarHBondContact O-OG 2.93Å |
| 735 | K | 85.1 | Confident | 84 | Confident | 16 Ų | 16 | 57.3 Ų | 57.3 | 7% | 0.07 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -63.3 | -37.9 | 177.1 | -159.2 | -164.5 | 176.5 | -172 | 0 | 112.2 | L670 L673 L731 R732 S738 G739 L740 D741 L742 | L670-K735 HydrophobicContact CB-CG 4.35Å; L670-K735 WeakPolarHBondContact O-CE 3.47Å; L673-K735 PolarHBondContact O-NZ 2.89Å; L731-K735 WeakPolarHBondContact O-CB 3.33Å; L731-K735 PolarHBondContact O-N 3.38Å; R732-K735 PolarHBondContact O-N 3.04Å; K735-S738 CarbonylContact O-C 3.37Å; K735-S738 WeakPolarHBondContact O-CA 3.4Å; K735-S738 PolarHBondContact O-N 2.82Å; K735-G739 PolarHBondContact O-N 3.23Å; K735-L740 CarbonylContact C-O 3.02Å; K735-L740 HydrophobicContact CD-CB 4.25Å; K735-L740 HydrophobicContact CG-CB 4.08Å; K735-L740 VanDerWaalsContact CG-O 3.31Å; K735-L740 WeakPolarHBondContact CG-O 3.21Å; K735-L740 PolarHBondContact O-N 3.24Å; K735-L740 VanDerWaalsContact O-N 3.09Å; K735-D741 PolarHBondContact NZ-O 2.8Å; K735-L742 HydrophobicContact CD-CB 3.87Å; K735-L742 HydrophobicContact CD-CD1 4.29Å |
| 736 | Q | 84.9 | Confident | 84.1 | Confident | 85 Ų | 85 | 60.1 Ų | 60.1 | 40% | 0.397 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -64.7 | -37.5 | 175.1 | -76.6 | 177.8 | -11.7 | 0 | 0 | 112.6 | R732 I733 T734 S738 G739 L740 D741 | R732-Q736 HydrophobicContact CG-CG 4.32Å; R732-Q736 VanDerWaalsContact NE-NE2 3.18Å; R732-Q736 WeakPolarHBondContact O-CB 3.11Å; R732-Q736 VanDerWaalsContact O-CG 3.29Å; R732-Q736 WeakPolarHBondContact O-CG 3.27Å; R732-Q736 PolarHBondContact O-N 3.39Å; I733-Q736 PolarHBondContact O-N 2.89Å; T734-Q736 VanDerWaalsContact C-N 3.31Å; T734-Q736 PolarHBondContact O-N 3.5Å; Q736-S738 PolarHBondContact O-N 3.48Å; Q736-G739 PolarHBondContact O-N 2.93Å; Q736-L740 WeakPolarHBondContact CA-O 3.34Å; Q736-L740 PolarHBondContact N-O 3.11Å; Q736-D741 PolarHBondContact NE2-OD1 2.71Å |
| 737 | A | 80.8 | Confident | 84.2 | Confident | 88 Ų | 88 | 60 Ų | 60 | 73% | 0.727 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -62 | -34.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | I733 T734 G739 | I733-A737 PolarHBondContact O-N 2.87Å; T734-A737 WeakPolarHBondContact O-CB 3.49Å; T734-A737 PolarHBondContact O-N 3.18Å; A737-G739 PolarHBondContact O-N 2.82Å |
| 738 | S | 77.3 | Confident | 84.1 | Confident | 69 Ų | 69 | 68.2 Ų | 68.2 | 48% | 0.483 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | 13.4 | 171.5 | -52.5 | 0 | 0 | 0 | 0 | 113.8 | D647 T734 K735 Q736 | D647-S738 PolarHBondContact O-OG 3.02Å; D647-S738 VanDerWaalsContact O-OG 3.1Å; T734-S738 PolarHBondContact O-N 3.24Å; T734-S738 PolarHBondContact O-OG 2.93Å; K735-S738 CarbonylContact O-C 3.37Å; K735-S738 WeakPolarHBondContact O-CA 3.4Å; K735-S738 PolarHBondContact O-N 2.82Å; Q736-S738 PolarHBondContact O-N 3.48Å |
| 739 | G | 75.4 | Confident | 83.9 | Confident | 65 Ų | 65 | 68.5 Ų | 68.5 | 67% | 0.67 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.1 | 6.8 | 169.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | K735 Q736 A737 | K735-G739 PolarHBondContact O-N 3.23Å; Q736-G739 PolarHBondContact O-N 2.93Å; A737-G739 PolarHBondContact O-N 2.82Å |
| 740 | L | 79.8 | Confident | 83.6 | Confident | 75 Ų | 75 | 66.7 Ų | 66.7 | 39% | 0.393 | 36% | 0.362 | S | S | . | . | trans | -128 | 127.9 | -175.8 | -61.8 | 172.6 | 0 | 0 | 0 | 111.7 | E671 K735 Q736 | E671-L740 HydrophobicContact CB-CD1 4.18Å; E671-L740 HydrophobicContact CG-CD1 3.92Å; K735-L740 CarbonylContact C-O 3.02Å; K735-L740 HydrophobicContact CD-CB 4.25Å; K735-L740 HydrophobicContact CG-CB 4.08Å; K735-L740 VanDerWaalsContact CG-O 3.31Å; K735-L740 WeakPolarHBondContact CG-O 3.21Å; K735-L740 PolarHBondContact O-N 3.24Å; K735-L740 VanDerWaalsContact O-N 3.09Å; Q736-L740 WeakPolarHBondContact CA-O 3.34Å; Q736-L740 PolarHBondContact N-O 3.11Å | ||
| 741 | D | 81.6 | Confident | 83.2 | Confident | 90 Ų | 90 | 71.2 Ų | 71.2 | 48% | 0.481 | 38% | 0.375 | S | S | . | . | trans | -73.6 | 159.1 | 176 | -161 | 16.2 | 0 | 0 | 0 | 112.4 | R732 K735 Q736 | R732-D741 IonicContact CZ-OD1 3.74Å; R732-D741 IonicContact CZ-OD2 3.97Å; R732-D741 IonicContact NE-OD1 3.94Å; R732-D741 PolarHBondContact NE-OD1 2.81Å; R732-D741 IonicContact NH2-OD1 2.74Å; R732-D741 PolarHBondContact NH2-OD1 3.36Å; R732-D741 VanDerWaalsContact NH2-OD1 3.12Å; R732-D741 IonicContact NH2-OD2 2.74Å; R732-D741 PolarHBondContact NH2-OD2 2.95Å; K735-D741 PolarHBondContact NZ-O 2.8Å; Q736-D741 PolarHBondContact NE2-OD1 2.71Å | ||
| 742 | L | 86.3 | Confident | 82.6 | Confident | 0 Ų | 0 | 79.3 Ų | 79.3 | 0% | 0 | 41% | 0.406 | C | S | . | . | trans | -127.9 | 118.5 | 176 | -176.1 | 59.9 | 0 | 0 | 0 | 109.9 | L673 I676 L731 R732 K735 V744 | L673-L742 HydrophobicContact CD2-CD1 4.08Å; L673-L742 HydrophobicContact CD2-CD2 3.63Å; L673-L742 HydrophobicContact CG-CD1 3.8Å; L673-L742 HydrophobicContact CG-CD2 4.29Å; I676-L742 HydrophobicContact CD1-CD2 3.67Å; I676-L742 HydrophobicContact CD1-CG 4.5Å; I676-L742 HydrophobicContact CG1-CD1 4.46Å; I676-L742 HydrophobicContact CG1-CD2 3.91Å; I676-L742 HydrophobicContact CG1-CG 4.28Å; L731-L742 HydrophobicContact CB-CD2 4.11Å; R732-L742 HydrophobicContact CB-CB 4.18Å; R732-L742 HydrophobicContact CB-CD2 4.32Å; R732-L742 WeakPolarHBondContact CD-O 3.34Å; R732-L742 HydrophobicContact CG-CB 4.1Å; R732-L742 PolarHBondContact NE-O 3.47Å; R732-L742 VanDerWaalsContact NE-O 3.12Å; K735-L742 HydrophobicContact CD-CB 3.87Å; K735-L742 HydrophobicContact CD-CD1 4.29Å; L742-V744 PolarHBondContact O-N 2.89Å | ||
| 743 | L | 87.4 | Confident | 82 | Confident | 108 Ų | 108 | 80.2 Ų | 80.2 | 57% | 0.565 | 41% | 0.413 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 116 | 176.5 | -171.6 | 71.9 | 0 | 0 | 0 | 110 | K675 I676 V745 | K675-L743 WeakPolarHBondContact CA-O 3.19Å; K675-L743 HydrophobicContact CB-CB 4.37Å; K675-L743 WeakPolarHBondContact CB-O 3.38Å; I676-L743 PolarHBondContact N-O 2.79Å; L743-V745 HydrophobicContact CD1-CG2 4.45Å; L743-V745 HydrophobicContact CD2-CG2 3.73Å; L743-V745 HydrophobicContact CG-CG2 3.68Å |
| 744 | V | 88.1 | Confident | 81.7 | Confident | 47 Ų | 47 | 76.2 Ų | 76.2 | 29% | 0.285 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 125.1 | 170.8 | -174.9 | 0 | 0 | 0 | 0 | 108.2 | I676 I678 A728 R732 L742 | I676-V744 HydrophobicContact CB-CG1 4.38Å; I676-V744 HydrophobicContact CB-CG2 4.27Å; I676-V744 HydrophobicContact CD1-CG2 4.49Å; I676-V744 HydrophobicContact CG2-CG1 4.49Å; I676-V744 CarbonylContact O-C 3.59Å; I676-V744 WeakPolarHBondContact O-CA 3.47Å; I678-V744 HydrophobicContact CD1-CG1 4.3Å; A728-V744 HydrophobicContact CB-CG1 4Å; A728-V744 HydrophobicContact CB-CG2 4.31Å; R732-V744 HydrophobicContact CB-CG2 4.42Å; L742-V744 PolarHBondContact O-N 2.89Å |
| 745 | V | 88.3 | Confident | 81.4 | Confident | 46 Ų | 46 | 79.8 Ų | 79.8 | 28% | 0.279 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 120 | -174.4 | -172.9 | 0 | 0 | 0 | 0 | 110.9 | I676 E677 I678 L743 K747 | I676-V745 PolarHBondContact O-N 2.91Å; E677-V745 CarbonylContact C-O 3.56Å; E677-V745 WeakPolarHBondContact CA-O 3.34Å; I678-V745 PolarHBondContact N-O 2.84Å; L743-V745 HydrophobicContact CD1-CG2 4.45Å; L743-V745 HydrophobicContact CD2-CG2 3.73Å; L743-V745 HydrophobicContact CG-CG2 3.68Å; V745-K747 HydrophobicContact CG1-CB 4.35Å; V745-K747 HydrophobicContact CG1-CG 4.32Å; V745-K747 PolarHBondContact O-N 2.86Å |
| 746 | E | 86.9 | Confident | 80.8 | Confident | 110 Ų | 110 | 84 Ų | 84 | 51% | 0.514 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 112.7 | 165.2 | -66.2 | -166 | -152.2 | 0 | 0 | 109.9 | I678 K721 Q725 | I678-E746 WeakPolarHBondContact O-CA 3.48Å; K721-E746 WeakPolarHBondContact CE-OE2 3.48Å; K721-E746 IonicContact NZ-OE1 2.75Å; K721-E746 PolarHBondContact NZ-OE1 3.04Å; K721-E746 IonicContact NZ-OE2 3.26Å; K721-E746 PolarHBondContact NZ-OE2 2.89Å; Q725-E746 PolarHBondContact NE2-OE1 2.93Å; Q725-E746 PolarHBondContact OE1-OE1 3.31Å |
| 747 | K | 85.9 | Confident | 80.1 | Confident | 64 Ų | 64 | 81.5 Ų | 81.5 | 28% | 0.278 | 43% | 0.427 | S | S | . | . | trans | -154.6 | 160.3 | 172.6 | 69.1 | 163.6 | -174.7 | -174.9 | 0 | 111.7 | E677 I678 G679 V745 L749 E750 | E677-K747 VanDerWaalsContact CD-NZ 3.27Å; E677-K747 WeakPolarHBondContact OE1-CE 3.44Å; E677-K747 IonicContact OE1-NZ 2.81Å; E677-K747 PolarHBondContact OE1-NZ 3.31Å; E677-K747 VanDerWaalsContact OE2-CE 3.26Å; E677-K747 WeakPolarHBondContact OE2-CE 3.38Å; E677-K747 IonicContact OE2-NZ 2.72Å; E677-K747 PolarHBondContact OE2-NZ 3.3Å; I678-K747 PolarHBondContact O-N 2.9Å; I678-K747 VanDerWaalsContact O-O 3.05Å; G679-K747 WeakPolarHBondContact CA-O 3.37Å; V745-K747 HydrophobicContact CG1-CB 4.35Å; V745-K747 HydrophobicContact CG1-CG 4.32Å; V745-K747 PolarHBondContact O-N 2.86Å; K747-L749 PolarHBondContact O-N 2.95Å; K747-E750 IonicContact NZ-OE1 2.83Å; K747-E750 PolarHBondContact NZ-OE1 3.22Å | ||
| 748 | K | 81.8 | Confident | 79 | Confident | 173 Ų | 173 | 83 Ų | 83 | 75% | 0.752 | 42% | 0.419 | S | S | * | . | P | Polyproline II helix | trans | -59.6 | 123.2 | 168.3 | -173.4 | 172.1 | -176.1 | 174.3 | 0 | 110.1 | P680 | P680-K748 HydrophobicContact CG-CG 4.49Š|
| 749 | L | 83.6 | Confident | 77.9 | Confident | 8 Ų | 8 | 83.6 Ų | 83.6 | 4% | 0.042 | 42% | 0.417 | C | S | . | . | P | Polyproline II helix | trans | -67.9 | 137.4 | -176.3 | -63.4 | -179.7 | 0 | 0 | 0 | 111.7 | E677 C692 R694 T708 K747 | E677-L749 HydrophobicContact CB-CD2 3.82Å; C692-L749 HydrophobicContact CB-CD1 3.63Å; R694-L749 HydrophobicContact CB-CD2 4.25Å; T708-L749 HydrophobicContact CG2-CD1 4.44Å; K747-L749 PolarHBondContact O-N 2.95Å |
| 750 | E | 79 | Confident | 76.9 | Confident | 70 Ų | 70 | 83.2 Ų | 83.2 | 33% | 0.327 | 40% | 0.399 | S | S | . | . | P | Polyproline II helix | trans | -76.5 | 137.5 | -179.7 | -69.9 | 171.6 | -121 | 0 | 0 | 111.4 | R694 K747 R752 | R694-E750 PolarHBondContact NH1-O 3.22Å; K747-E750 IonicContact NZ-OE1 2.83Å; K747-E750 PolarHBondContact NZ-OE1 3.22Å; E750-R752 HydrophobicContact CB-CG 4.28Å; E750-R752 PolarHBondContact O-N 3.19Å; E750-R752 IonicContact OE2-CZ 2.76Å; E750-R752 IonicContact OE2-NE 2.74Å; E750-R752 PolarHBondContact OE2-NE 2.86Å; E750-R752 IonicContact OE2-NH2 3.22Å; E750-R752 PolarHBondContact OE2-NH2 2.85Å |
| 751 | R | 74.6 | Confident | 75.3 | Confident | 171 Ų | 171 | 84.6 Ų | 84.6 | 65% | 0.645 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -75.2 | 68 | 173.9 | -68.4 | 177.6 | 174.9 | 168.8 | -5.5 | 111 | P682 T683 L684 | P682-R751 HydrophobicContact CB-CG 4.2Å; T683-R751 PolarHBondContact O-NE 3.13Å; T683-R751 PolarHBondContact O-NH2 2.92Å; L684-R751 PolarHBondContact O-NH2 3.06Å |
| 752 | R | 72.8 | Confident | 73.4 | Confident | 171 Ų | 171 | 82.8 Ų | 82.8 | 65% | 0.645 | 41% | 0.407 | S | S | * | . | trans | -118.2 | 154.7 | 169.2 | -54.4 | -175.1 | -163.6 | -132.9 | 6.1 | 108.7 | F706 E750 | F706-R752 HydrophobicContact CZ-CB 4.35Å; F706-R752 WeakPolarHBondContact CZ-O 3.33Å; E750-R752 HydrophobicContact CB-CG 4.28Å; E750-R752 PolarHBondContact O-N 3.19Å; E750-R752 IonicContact OE2-CZ 2.76Å; E750-R752 IonicContact OE2-NE 2.74Å; E750-R752 PolarHBondContact OE2-NE 2.86Å; E750-R752 IonicContact OE2-NH2 3.22Å; E750-R752 PolarHBondContact OE2-NH2 2.85Å | ||
| 753 | Q | 72.4 | Confident | 71.5 | Confident | 110 Ų | 110 | 88.7 Ų | 88.7 | 51% | 0.514 | 44% | 0.437 | S | S | . | . | P | Polyproline II helix | trans | -92.5 | 151.9 | 164.8 | -74.3 | 170.6 | -37.8 | 0 | 0 | 109.4 | M629 | M629-Q753 PolarHBondContact O-NE2 3.34Š|
| 754 | S | 79.5 | Confident | 69 | Low | 25 Ų | 25 | 92 Ų | 92 | 18% | 0.175 | 45% | 0.45 | C | S | . | . | P | Polyproline II helix | trans | -69 | 156.7 | 169.6 | -179.6 | 0 | 0 | 0 | 0 | 110.3 | Y705 F706 H757 | Y705-S754 WeakPolarHBondContact CA-OG 3.46Å; F706-S754 VanDerWaalsContact CZ-N 3.27Å; F706-S754 PolarHBondContact N-OG 2.93Å; F706-S754 VanDerWaalsContact O-CB 3.24Å; F706-S754 WeakPolarHBondContact O-CB 3.42Å; F706-S754 PolarHBondContact O-OG 3.13Å; S754-H757 PolarHBondContact OG-CE1 3.06Å |
| 755 | K | 78.9 | Confident | 66.7 | Low | 85 Ų | 85 | 97.7 Ų | 97.7 | 37% | 0.37 | 48% | 0.479 | S | S | . | . | P | Polyproline II helix | trans | -59.4 | 147 | 157.7 | -71.5 | 173.4 | 177.9 | 174 | 0 | 109.7 | T702 S703 Y705 H757 | T702-K755 HydrophobicContact CG2-CD 4.46Å; S703-K755 PolarHBondContact O-NZ 3.06Å; Y705-K755 HydrophobicContact CD1-CB 3.5Å; Y705-K755 VanDerWaalsContact CD1-CB 3.5Å; Y705-K755 HydrophobicContact CD2-CD 4.39Å; Y705-K755 HydrophobicContact CE1-CB 3.43Å; Y705-K755 VanDerWaalsContact CE1-CB 3.43Å; Y705-K755 HydrophobicContact CE1-CD 4.15Å; Y705-K755 HydrophobicContact CE1-CG 4.45Å; Y705-K755 HydrophobicContact CE2-CD 4.01Å; Y705-K755 HydrophobicContact CG-CB 4.16Å; K755-H757 PolarHBondContact O-N 3.04Å |
| 756 | P | 71.6 | Confident | 63.9 | Low | 103 Ų | 103 | 105.1 Ų | 105.1 | 67% | 0.669 | 51% | 0.507 | S | S | * | . | P | Polyproline II helix | trans | -61.1 | 132.9 | 177.2 | 26.9 | -34.6 | 0 | 0 | 0 | 110.2 | Y705 E758 | Y705-P756 WeakPolarHBondContact CE1-O 3.45Å; P756-E758 PolarHBondContact O-N 3.23Å |
| 757 | H | 71.1 | Confident | 61.4 | Low | 34 Ų | 34 | 105.9 Ų | 105.9 | 16% | 0.157 | 52% | 0.522 | C | S | . | . | trans | -77.1 | 111.7 | -176.1 | -47.2 | -88.3 | 0 | 0 | 0 | 109.4 | Y697 F706 H707 S754 K755 I760 | Y697-H757 AromaticContact CE1-ND1 3.7Å; Y697-H757 AromaticContact CZ-ND1 3.75Å; Y697-H757 PolarHBondContact OH-ND1 3.16Å; F706-H757 PolarHBondContact O-CE1 2.92Å; H707-H757 AromaticContact CE1-CE1 3.41Å; H707-H757 PolarHBondContact CE1-CE1 3.41Å; H707-H757 VanDerWaalsContact CE1-CE1 3.41Å; H707-H757 AromaticContact CE1-CG 3.95Å; H707-H757 AromaticContact CE1-ND1 3.48Å; H707-H757 PolarHBondContact CE1-ND1 3.47Å; H707-H757 AromaticContact CE1-NE2 3.87Å; H707-H757 AromaticContact ND1-CE1 3.69Å; H707-H757 AromaticContact NE2-CE1 3.79Å; H707-H757 AromaticContact NE2-ND1 3.64Å; S754-H757 PolarHBondContact OG-CE1 3.06Å; K755-H757 PolarHBondContact O-N 3.04Å; H757-I760 HydrophobicContact CB-CD1 4.09Å; H757-I760 HydrophobicContact CB-CG1 4.15Å; H757-I760 WeakPolarHBondContact O-CG1 3.34Å | ||
| 758 | E | 56.1 | Low | 59.2 | Low | 119 Ų | 119 | 108.1 Ų | 108.1 | 56% | 0.556 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | -36.7 | -167.7 | -59.8 | -177.2 | 154.4 | 0 | 0 | 112.6 | P756 I760 | P756-E758 PolarHBondContact O-N 3.23Å; E758-I760 PolarHBondContact O-N 2.88Å; E758-I760 VanDerWaalsContact O-N 3.09Å |
| 759 | D | 54.8 | Low | 56.8 | Low | 82 Ų | 82 | 103.2 Ų | 103.2 | 44% | 0.439 | 55% | 0.551 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85.5 | 40 | -177.8 | -65 | -64.4 | 0 | 0 | 0 | 114.2 | M761 | D759-M761 PolarHBondContact O-N 3.22Š|
| 760 | I | 53.6 | Low | 54.3 | Low | 56 Ų | 56 | 112.7 Ų | 112.7 | 29% | 0.287 | 60% | 0.595 | S | S | . | * | trans | -78.4 | 97.6 | 170.6 | -67.6 | 175.8 | 0 | 0 | 0 | 109.1 | Q664 H757 E758 G762 | Q664-I760 HydrophobicContact CB-CG2 3.73Å; Q664-I760 HydrophobicContact CG-CG2 3.49Å; Q664-I760 VanDerWaalsContact CG-CG2 3.49Å; H757-I760 HydrophobicContact CB-CD1 4.09Å; H757-I760 HydrophobicContact CB-CG1 4.15Å; H757-I760 WeakPolarHBondContact O-CG1 3.34Å; E758-I760 PolarHBondContact O-N 2.88Å; E758-I760 VanDerWaalsContact O-N 3.09Å; I760-G762 PolarHBondContact O-N 3.39Å | ||
| 761 | M | 47.8 | Very low | 52.1 | Low | 104 Ų | 104 | 114.1 Ų | 114.1 | 51% | 0.512 | 62% | 0.619 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -73.9 | 97.4 | 175.8 | -78.3 | -164.5 | -78.1 | 0 | 0 | 111.5 | Y665 D759 | Y665-M761 HydrophobicContact CE1-CB 4.03Å; Y665-M761 HydrophobicContact CE2-CE 4.11Å; Y665-M761 WeakPolarHBondContact OH-CE 3.35Å; D759-M761 PolarHBondContact O-N 3.22Å |
| 762 | G | 41.4 | Very low | 49.9 | Very low | 52 Ų | 52 | 110.6 Ų | 110.6 | 54% | 0.536 | 63% | 0.627 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -66.1 | 128.7 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | I760 Q764 | I760-G762 PolarHBondContact O-N 3.39Å; G762-Q764 VanDerWaalsContact C-N 3.32Å; G762-Q764 PolarHBondContact O-N 3.43Å |
| 763 | I | 45.3 | Very low | 47.8 | Very low | 124 Ų | 124 | 106.6 Ų | 106.6 | 64% | 0.636 | 64% | 0.638 | S | S | * | * | trans | -75.3 | 82.7 | 179.5 | -51.8 | 176.8 | 0 | 0 | 0 | 109.7 | ||||
| 764 | Q | 35.9 | Very low | 45.7 | Very low | 177 Ų | 177 | 105 Ų | 105 | 83% | 0.827 | 65% | 0.652 | S | S | * | * | trans | -123.6 | 143.8 | 173.3 | -67.8 | -164.8 | 6.8 | 0 | 0 | 112.1 | G762 K766 | G762-Q764 VanDerWaalsContact C-N 3.32Å; G762-Q764 PolarHBondContact O-N 3.43Å; Q764-K766 PolarHBondContact O-N 2.95Å | ||
| 765 | N | 39.1 | Very low | 43.6 | Very low | 168 Ų | 168 | 110.2 Ų | 110.2 | 90% | 0.898 | 69% | 0.688 | S | S | * | * | trans | -66.6 | 115.6 | -180 | -65.4 | -34.1 | 0 | 0 | 0 | 111 | ||||
| 766 | K | 30.3 | Very low | 41.6 | Very low | 201 Ų | 201 | 109.3 Ų | 109.3 | 87% | 0.874 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 130.2 | 164.4 | -76 | -173.9 | 176.4 | 179.1 | 0 | 109.7 | Q764 | Q764-K766 PolarHBondContact O-N 2.95Š|
| 767 | P | 33.5 | Very low | 40.1 | Very low | 127 Ų | 127 | 112.8 Ų | 112.8 | 83% | 0.825 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 148.3 | 170.8 | 30.6 | -34.1 | 0 | 0 | 0 | 110.4 | ||
| 768 | A | 40 | Very low | 38.6 | Very low | 111 Ų | 111 | 115.6 Ų | 115.6 | 92% | 0.917 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -86.7 | 136.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 769 | G | 32 | Very low | 37.7 | Very low | 70 Ų | 70 | 118.4 Ų | 118.4 | 72% | 0.722 | 76% | 0.757 | S | S | * | * | trans | 162.6 | 82.8 | 168.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 770 | Q | 30.3 | Very low | 36.7 | Very low | 206 Ų | 206 | 117.4 Ų | 117.4 | 96% | 0.963 | 77% | 0.766 | S | S | * | * | 163.1 | 166.4 | 127.7 | -85.8 | 177 | 14 | 0 | 0 | 111.1 | |||||
| 771 | A | 32.3 | Very low | 36.1 | Very low | 100 Ų | 100 | 123.7 Ų | 123.7 | 83% | 0.826 | 79% | 0.792 | S | S | * | * | trans | -94.8 | 176.3 | -163.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 772 | A | 29.6 | Very low | 35.5 | Very low | 98 Ų | 98 | 122.5 Ų | 122.5 | 81% | 0.81 | 79% | 0.793 | S | S | * | * | cis | -155.8 | 166.7 | 12.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 773 | G | 28.3 | Very low | 35.3 | Very low | 86 Ų | 86 | 127.6 Ų | 127.6 | 89% | 0.887 | 80% | 0.801 | S | S | * | * | trans | 84.5 | 95.7 | 154.2 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 774 | G | 28.1 | Very low | 35 | Very low | 78 Ų | 78 | 127.7 Ų | 127.7 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | trans | 169.8 | 127.3 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | G776 | G774-G776 PolarHBondContact O-N 2.84Š| ||
| 775 | S | 35.2 | Very low | 35.1 | Very low | 133 Ų | 133 | 125.2 Ų | 125.2 | 93% | 0.93 | 79% | 0.794 | S | S | * | * | trans | -87.5 | 97.6 | -169.1 | 178.8 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 776 | G | 37.5 | Very low | 34.9 | Very low | 66 Ų | 66 | 123.3 Ų | 123.3 | 68% | 0.68 | 78% | 0.784 | S | S | * | * | trans | 71.7 | 101.2 | 131.3 | 0 | 0 | 0 | 0 | 0 | 121 | G774 | G774-G776 PolarHBondContact O-N 2.84Š| ||
| 777 | L | 40.3 | Very low | 35.2 | Very low | 176 Ų | 176 | 121 Ų | 121 | 92% | 0.921 | 77% | 0.774 | S | S | * | * | trans | -154.4 | 41.5 | 138.1 | -156 | 69.4 | 0 | 0 | 0 | 112.8 | ||||
| 778 | A | 38.3 | Very low | 35.2 | Very low | 94 Ų | 94 | 122.4 Ų | 122.4 | 78% | 0.777 | 77% | 0.767 | S | S | * | * | trans | -107.5 | 9.5 | -161.7 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 779 | Q | 37.4 | Very low | 35 | Very low | 178 Ų | 178 | 120.7 Ų | 120.7 | 83% | 0.832 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -99.5 | -16.6 | -176.3 | -77 | -177.4 | -23.4 | 0 | 0 | 115.6 | ||
| 780 | G | 35.3 | Very low | 35.2 | Very low | 61 Ų | 61 | 120.9 Ų | 120.9 | 63% | 0.629 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -73 | -29.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 781 | K | 39.5 | Very low | 35.4 | Very low | 188 Ų | 188 | 117.7 Ų | 117.7 | 82% | 0.817 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -87.5 | -7.6 | -165 | -63.7 | -170.5 | 176.8 | -175.2 | 0 | 115.5 | ||
| 782 | S | 36.5 | Very low | 35.5 | Very low | 78 Ų | 78 | 118.6 Ų | 118.6 | 55% | 0.545 | 72% | 0.718 | S | S | . | * | S | Bend | trans | -91.4 | -24.2 | 178.2 | 60.4 | 0 | 0 | 0 | 0 | 114.5 | L784 | S782-L784 PolarHBondContact O-N 3.44Š|
| 783 | F | 35.8 | Very low | 35.8 | Very low | 160 Ų | 160 | 121.2 Ų | 121.2 | 70% | 0.702 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.5 | -25.6 | -167.1 | -149.8 | -98.7 | 0 | 0 | 0 | 114.2 | ||
| 784 | L | 40 | Very low | 36.1 | Very low | 125 Ų | 125 | 126.7 Ų | 126.7 | 65% | 0.654 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.6 | -36.2 | -178.6 | -68.9 | 171.5 | 0 | 0 | 0 | 113.3 | S782 N786 K787 | S782-L784 PolarHBondContact O-N 3.44Å; L784-N786 PolarHBondContact O-N 3.39Å; L784-K787 PolarHBondContact O-N 2.87Å |
| 785 | L | 38 | Very low | 36.5 | Very low | 126 Ų | 126 | 129 Ų | 129 | 66% | 0.66 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -65.5 | -35.4 | -175.3 | -80.7 | 162.2 | 0 | 0 | 0 | 113.3 | K787 F788 S789 | L785-K787 VanDerWaalsContact C-N 3.25Å; L785-K787 PolarHBondContact O-N 3.39Å; L785-F788 PolarHBondContact O-N 3.42Å; L785-S789 PolarHBondContact O-N 2.93Å |
| 786 | N | 35.4 | Very low | 36.3 | Very low | 128 Ų | 128 | 131.8 Ų | 131.8 | 68% | 0.684 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -67.5 | -20.3 | 179.2 | -85.2 | -16 | 0 | 0 | 0 | 114.2 | L784 S790 | L784-N786 PolarHBondContact O-N 3.39Å; N786-S790 PolarHBondContact O-OG 3.47Å |
| 787 | K | 35.2 | Very low | 36 | Very low | 152 Ų | 152 | 137.4 Ų | 137.4 | 66% | 0.661 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -80.8 | -24 | 173.7 | -77.8 | -168.7 | 172.8 | -175.9 | 0 | 113.8 | L784 L785 S790 | L784-K787 PolarHBondContact O-N 2.87Å; L785-K787 VanDerWaalsContact C-N 3.25Å; L785-K787 PolarHBondContact O-N 3.39Å; K787-S790 PolarHBondContact O-OG 2.91Å |
| 788 | F | 34.6 | Very low | 35.4 | Very low | 157 Ų | 157 | 136 Ų | 136 | 69% | 0.689 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -82.6 | -31.8 | 175.6 | -84.1 | -83.9 | 0 | 0 | 0 | 113.4 | L785 | L785-F788 PolarHBondContact O-N 3.42Å |
| 789 | S | 36.3 | Very low | 35 | Very low | 74 Ų | 74 | 140.4 Ų | 140.4 | 52% | 0.517 | 72% | 0.716 | S | S | . | * | H | α-helix | trans | -67.2 | -42.8 | 177.2 | -169 | 0 | 0 | 0 | 0 | 112.5 | L785 L791 N792 Q793 | L785-S789 PolarHBondContact O-N 2.93Å; S789-L791 VanDerWaalsContact C-N 3.3Å; S789-L791 PolarHBondContact O-N 3.07Å; S789-N792 PolarHBondContact O-N 2.83Å; S789-Q793 PolarHBondContact O-N 2.98Å |
| 790 | S | 36 | Very low | 34.5 | Very low | 74 Ų | 74 | 139 Ų | 139 | 52% | 0.517 | 72% | 0.719 | S | S | . | * | H | α-helix | trans | -68.4 | -22.2 | -176.4 | 43 | 0 | 0 | 0 | 0 | 114.5 | N786 K787 | N786-S790 PolarHBondContact O-OG 3.47Å; K787-S790 PolarHBondContact O-OG 2.91Å |
| 791 | L | 34.2 | Very low | 34 | Very low | 140 Ų | 140 | 142.2 Ų | 142.2 | 73% | 0.733 | 72% | 0.723 | S | S | * | * | H | α-helix | trans | -75.6 | -39.2 | 172.9 | -126.4 | 74.8 | 0 | 0 | 0 | 112.5 | S789 | S789-L791 VanDerWaalsContact C-N 3.3Å; S789-L791 PolarHBondContact O-N 3.07Å |
| 792 | N | 34.8 | Very low | 33.4 | Very low | 118 Ų | 118 | 139.9 Ų | 139.9 | 63% | 0.631 | 72% | 0.724 | S | S | * | * | H | α-helix | trans | -78.8 | -22 | -174.2 | -94.8 | -70.2 | 0 | 0 | 0 | 114.3 | S789 K794 | S789-N792 PolarHBondContact O-N 2.83Å; N792-K794 PolarHBondContact O-N 2.9Å |
| 793 | Q | 35.6 | Very low | 32.8 | Very low | 154 Ų | 154 | 143.6 Ų | 143.6 | 72% | 0.72 | 74% | 0.737 | S | S | * | * | G | 310 helix | trans | -70.3 | -20.3 | -174.5 | -147.2 | 171.8 | 19.7 | 0 | 0 | 113.4 | S789 V795 | S789-Q793 PolarHBondContact O-N 2.98Å; Q793-V795 VanDerWaalsContact C-N 3.35Å; Q793-V795 PolarHBondContact O-N 3.13Å |
| 794 | K | 34 | Very low | 32.3 | Very low | 200 Ų | 200 | 144 Ų | 144 | 87% | 0.87 | 75% | 0.745 | S | S | * | * | G | 310 helix | trans | -80.2 | -2.7 | -175.3 | -111.4 | -179.8 | 179.3 | 179.4 | 0 | 116.2 | N792 | N792-K794 PolarHBondContact O-N 2.9Š|
| 795 | V | 36 | Very low | 31.6 | Very low | 128 Ų | 128 | 141.2 Ų | 141.2 | 78% | 0.776 | 75% | 0.747 | S | S | * | * | G | 310 helix | trans | -112.5 | -1.8 | -176.9 | -171.2 | 0 | 0 | 0 | 0 | 112.5 | Q793 | Q793-V795 VanDerWaalsContact C-N 3.35Å; Q793-V795 PolarHBondContact O-N 3.13Å |
| 796 | K | 31.2 | Very low | 31.4 | Very low | 190 Ų | 190 | 140.7 Ų | 140.7 | 83% | 0.826 | 75% | 0.751 | S | S | * | * | trans | -109.2 | 27 | -169.3 | -97.7 | 177.7 | 177.2 | 171.7 | 0 | 116.4 | ||||
| 797 | Q | 31.1 | Very low | 30.8 | Very low | 184 Ų | 184 | 145.1 Ų | 145.1 | 86% | 0.86 | 76% | 0.764 | S | S | * | * | trans | -129.9 | 68.3 | 172 | -73.9 | -163.9 | -6.7 | 0 | 0 | 114.5 | ||||
| 798 | T | 28 | Very low | 30.3 | Very low | 147 Ų | 147 | 147.4 Ų | 147.4 | 90% | 0.902 | 78% | 0.775 | S | S | * | * | trans | -153.4 | 103.1 | 142.9 | 15.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 799 | K | 29.9 | Very low | 30.5 | Very low | 187 Ų | 187 | 145.5 Ų | 145.5 | 81% | 0.813 | 78% | 0.778 | S | S | * | * | trans | -116.7 | 136.4 | 162.4 | -91.5 | -167.1 | 174.7 | -170.1 | 0 | 108.3 | ||||
| 800 | T | 26.8 | Very low | 30 | Very low | 147 Ų | 147 | 150.9 Ų | 150.9 | 90% | 0.902 | 80% | 0.8 | S | S | * | * | trans | -130.6 | 143.2 | 147.2 | 43.9 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 801 | N | 25.2 | Very low | 29.5 | Very low | 130 Ų | 130 | 150.7 Ų | 150.7 | 70% | 0.695 | 81% | 0.809 | S | S | * | * | trans | -100.1 | 149.5 | -167.5 | -44.6 | -68.1 | 0 | 0 | 0 | 111.5 | ||||
| 802 | V | 26.1 | Very low | 29.2 | Very low | 139 Ų | 139 | 153.3 Ų | 153.3 | 84% | 0.842 | 82% | 0.815 | S | S | * | * | trans | -136 | 129.3 | 136.8 | -177.8 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 803 | N | 24.1 | Very low | 28.8 | Very low | 155 Ų | 155 | 155.7 Ų | 155.7 | 83% | 0.829 | 83% | 0.827 | S | S | * | * | trans | -90.8 | 145.6 | 168.3 | -92.7 | -18.2 | 0 | 0 | 0 | 109.4 | ||||
| 804 | I | 26.7 | Very low | 28.2 | Very low | 168 Ų | 168 | 151.8 Ų | 151.8 | 86% | 0.862 | 83% | 0.828 | S | S | * | * | trans | -144.5 | 143.7 | 145.8 | -105.5 | 156.7 | 0 | 0 | 0 | 108.7 | ||||
| 805 | G | 25.3 | Very low | 27.8 | Very low | 67 Ų | 67 | 149.1 Ų | 149.1 | 69% | 0.691 | 82% | 0.823 | S | S | * | * | trans | -86.2 | -174.2 | -172.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 806 | P | 32.5 | Very low | 27.2 | Very low | 116 Ų | 116 | 152.8 Ų | 152.8 | 75% | 0.753 | 83% | 0.829 | S | S | * | * | trans | -105.4 | 163.7 | -159.4 | 39.4 | -35.3 | 0 | 0 | 0 | 114.5 | ||||
| 807 | F | 23.2 | Very low | 26.8 | Very low | 220 Ų | 220 | 148.9 Ų | 148.9 | 97% | 0.965 | 83% | 0.825 | S | S | * | * | trans | -141.9 | 161.6 | 149.7 | -109.7 | -78.7 | 0 | 0 | 0 | 112.7 | ||||
| 808 | K | 25.7 | Very low | 26.7 | Very low | 201 Ų | 201 | 149.3 Ų | 149.3 | 87% | 0.874 | 83% | 0.825 | S | S | * | * | trans | -100.4 | 163.8 | -162.9 | -91.1 | -175.4 | 173.5 | -178.1 | 0 | 114.8 | ||||
| 809 | P | 38.4 | Very low | 26.9 | Very low | 116 Ų | 116 | 147.2 Ų | 147.2 | 75% | 0.753 | 81% | 0.813 | S | S | * | * | trans | -100.8 | 160.6 | -172.3 | 39.5 | -36.1 | 0 | 0 | 0 | 115.2 | ||||
| 810 | L | 26.2 | Very low | 26.4 | Very low | 188 Ų | 188 | 144.9 Ų | 144.9 | 98% | 0.984 | 81% | 0.81 | S | S | * | * | trans | -177.4 | 158.5 | 157.5 | -97.3 | 151.5 | 0 | 0 | 0 | 106.5 | ||||
| 811 | G | 25.4 | Very low | 26.4 | Very low | 69 Ų | 69 | 143.9 Ų | 143.9 | 71% | 0.711 | 80% | 0.803 | S | S | * | * | cis | -165.3 | -177.2 | -2 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 812 | K | 27.9 | Very low | 26.3 | Very low | 195 Ų | 195 | 144.4 Ų | 144.4 | 85% | 0.848 | 81% | 0.811 | S | S | * | * | trans | -116.8 | 147.6 | -171 | -109.2 | -176.7 | 178 | -179.2 | 0 | 114.3 | ||||
| 813 | L | 25.9 | Very low | 26.3 | Very low | 169 Ų | 169 | 143.6 Ų | 143.6 | 89% | 0.885 | 81% | 0.806 | S | S | * | * | trans | 67.8 | 142.4 | 157.6 | -94.7 | 70.4 | 0 | 0 | 0 | 120.1 | ||||
| 814 | G | 23.1 | Very low | 26.3 | Very low | 72 Ų | 72 | 143.5 Ų | 143.5 | 74% | 0.742 | 81% | 0.806 | S | S | * | * | trans | 171.9 | 140.9 | 168.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 815 | N | 24.3 | Very low | 26.2 | Very low | 144 Ų | 144 | 144.3 Ų | 144.3 | 77% | 0.77 | 80% | 0.803 | S | S | * | * | trans | -117.5 | 151.7 | -173.9 | -89.2 | 7.9 | 0 | 0 | 0 | 113.2 | ||||
| 816 | F | 24.2 | Very low | 26.1 | Very low | 204 Ų | 204 | 149.2 Ų | 149.2 | 90% | 0.895 | 81% | 0.813 | S | S | * | * | trans | 64 | 154.9 | 171.1 | -60.2 | -69.3 | 0 | 0 | 0 | 115.6 | ||||
| 817 | S | 23.2 | Very low | 25.9 | Very low | 108 Ų | 108 | 152.1 Ų | 152.1 | 76% | 0.755 | 81% | 0.814 | S | S | * | * | cis | -141.8 | 178.3 | 10.1 | 65.6 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 818 | K | 28.3 | Very low | 26 | Very low | 194 Ų | 194 | 147.9 Ų | 147.9 | 84% | 0.843 | 81% | 0.808 | S | S | * | * | trans | -80.7 | 163.8 | 153.6 | -88.4 | -173.1 | 176.8 | -173.2 | 0 | 109.1 | ||||
| 819 | P | 32.3 | Very low | 25.9 | Very low | 103 Ų | 103 | 143.8 Ų | 143.8 | 67% | 0.669 | 80% | 0.8 | S | S | * | * | cis | -144.7 | -167.8 | 36.3 | 45.7 | -25.8 | 0 | 0 | 0 | 117.5 | ||||
| 820 | D | 20.4 | Very low | 25.2 | Very low | 138 Ų | 138 | 146.6 Ų | 146.6 | 74% | 0.738 | 81% | 0.805 | S | S | * | * | trans | 64.8 | 97.3 | 153.4 | -56.4 | -20.9 | 0 | 0 | 0 | 123 | ||||
| 821 | V | 26.3 | Very low | 25.1 | Very low | 125 Ų | 125 | 145.5 Ų | 145.5 | 76% | 0.758 | 80% | 0.795 | S | S | * | * | 27.8 | 116.1 | 124.2 | -172.8 | 0 | 0 | 0 | 0 | 118.5 | |||||
| 822 | T | 23.1 | Very low | 25 | Very low | 142 Ų | 142 | 148 Ų | 148 | 87% | 0.871 | 80% | 0.796 | S | S | * | * | -153.9 | 127.8 | 129.2 | -3.4 | 0 | 0 | 0 | 0 | 110 | |||||
| 823 | V | 26 | Very low | 24.8 | Very low | 121 Ų | 121 | 146 Ų | 146 | 73% | 0.733 | 80% | 0.795 | S | S | * | * | trans | -98.7 | 129.3 | 174.6 | 178.5 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 824 | N | 23.6 | Very low | 24.7 | Very low | 153 Ų | 153 | 144.3 Ų | 144.3 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | trans | -155.9 | 153.1 | 144.7 | -119.1 | -41.6 | 0 | 0 | 0 | 114 | ||||
| 825 | F | 24.3 | Very low | 24.8 | Very low | 186 Ų | 186 | 152.6 Ų | 152.6 | 82% | 0.816 | 80% | 0.795 | S | S | * | * | trans | -67.5 | 149.8 | -175.3 | -66.2 | -104.8 | 0 | 0 | 0 | 112.9 | ||||
| 826 | L | 24.7 | Very low | 24.8 | Very low | 170 Ų | 170 | 154.1 Ų | 154.1 | 89% | 0.89 | 80% | 0.795 | S | S | * | * | trans | -157.8 | 143.6 | 133.1 | -110.7 | 170.1 | 0 | 0 | 0 | 111.7 | ||||
| 827 | K | 26.7 | Very low | 24.8 | Very low | 177 Ų | 177 | 149.8 Ų | 149.8 | 77% | 0.77 | 79% | 0.789 | S | S | * | * | trans | -80 | 148.4 | 173.9 | -62.8 | 173 | 178.6 | 174.8 | 0 | 110.3 | ||||
| 828 | P | 25.8 | Very low | 24.8 | Very low | 130 Ų | 130 | 152.2 Ų | 152.2 | 84% | 0.844 | 79% | 0.794 | S | S | * | * | trans | -104.6 | 95 | 147.2 | 0.3 | 20.2 | 0 | 0 | 0 | 109.8 | ||||
| 829 | T | 23.2 | Very low | 24.7 | Very low | 116 Ų | 116 | 149 Ų | 149 | 71% | 0.712 | 80% | 0.796 | S | S | * | * | trans | -67 | 131.2 | 156 | 41 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 830 | M | 23.2 | Very low | 24.3 | Very low | 175 Ų | 175 | 149.5 Ų | 149.5 | 86% | 0.862 | 80% | 0.802 | S | S | * | * | trans | -146.7 | 100.5 | 159.1 | -143.3 | 178.1 | 75.5 | 0 | 0 | 114.2 | ||||
| 831 | H | 25.2 | Very low | 24.6 | Very low | 164 Ų | 164 | 150.9 Ų | 150.9 | 76% | 0.759 | 81% | 0.808 | S | S | * | * | trans | 37.5 | 100.3 | 146.9 | -67 | -79.4 | 0 | 0 | 0 | 120.2 | ||||
| 832 | V | 22.7 | Very low | 24.5 | Very low | 122 Ų | 122 | 153.8 Ų | 153.8 | 74% | 0.739 | 81% | 0.814 | S | S | * | * | trans | -57.6 | 137.3 | 140.6 | 173 | 0 | 0 | 0 | 0 | 109.5 | L834 | V832-L834 HydrophobicContact CG1-CB 3.93Š| ||
| 833 | N | 24.8 | Very low | 24.6 | Very low | 153 Ų | 153 | 152.6 Ų | 152.6 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | trans | -116.4 | 106.2 | 155 | -100.7 | -25.1 | 0 | 0 | 0 | 108.3 | ||||
| 834 | L | 23.3 | Very low | 24.6 | Very low | 134 Ų | 134 | 151.3 Ų | 151.3 | 70% | 0.702 | 80% | 0.803 | S | S | * | * | trans | -99.9 | 115.7 | -179.2 | 174.7 | 81.3 | 0 | 0 | 0 | 108.6 | V832 | V832-L834 HydrophobicContact CG1-CB 3.93Š| ||
| 835 | W | 24.8 | Very low | 24.8 | Very low | 246 Ų | 246 | 152 Ų | 152 | 93% | 0.932 | 81% | 0.806 | S | S | * | * | trans | -120.4 | 144.2 | 163.5 | -87.4 | 66.5 | 0 | 0 | 0 | 110.2 | ||||
| 836 | K | 24 | Very low | 24.8 | Very low | 176 Ų | 176 | 147 Ų | 147 | 77% | 0.765 | 81% | 0.808 | S | S | * | * | trans | -90.4 | 155.9 | -155.1 | -61.9 | 178.1 | -179.3 | 177.6 | 0 | 112.7 | ||||
| 837 | S | 25.6 | Very low | 24.9 | Very low | 112 Ų | 112 | 146.6 Ų | 146.6 | 78% | 0.783 | 81% | 0.806 | S | S | * | * | trans | -68.5 | 133.8 | 153.7 | 52.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 838 | D | 22.8 | Very low | 25.5 | Very low | 160 Ų | 160 | 143.9 Ų | 143.9 | 86% | 0.856 | 81% | 0.807 | S | S | * | * | trans | -129.8 | 142.1 | 152.2 | -86.9 | -53.9 | 0 | 0 | 0 | 108.2 | ||||
| 839 | S | 24.7 | Very low | 25.4 | Very low | 127 Ų | 127 | 140.9 Ų | 140.9 | 89% | 0.888 | 80% | 0.799 | S | S | * | * | trans | -143.7 | 117.4 | 179.9 | -161.3 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 840 | S | 25.5 | Very low | 25.5 | Very low | 112 Ų | 112 | 140.1 Ų | 140.1 | 78% | 0.783 | 81% | 0.805 | S | S | * | * | trans | -132.4 | 122.5 | -173.5 | 54.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 841 | L | 26 | Very low | 25.7 | Very low | 167 Ų | 167 | 136.8 Ų | 136.8 | 87% | 0.874 | 81% | 0.805 | S | S | * | * | trans | -69.8 | 146.4 | 153.8 | -72.5 | 88.5 | 0 | 0 | 0 | 107.9 | ||||
| 842 | E | 25 | Very low | 25.8 | Very low | 187 Ų | 187 | 132.8 Ų | 132.8 | 87% | 0.874 | 80% | 0.801 | S | S | * | * | -163.7 | 174.9 | 116.7 | -112.1 | 173.6 | -158.7 | 0 | 0 | 113 | |||||
| 843 | T | 24.6 | Very low | 26 | Very low | 117 Ų | 117 | 135 Ų | 135 | 72% | 0.718 | 81% | 0.808 | S | S | * | * | trans | -80.4 | 176.4 | -152.4 | 48.2 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 844 | S | 26.3 | Very low | 26.1 | Very low | 93 Ų | 93 | 130.8 Ų | 130.8 | 65% | 0.65 | 80% | 0.8 | S | S | * | * | trans | 87 | 125.8 | 136.7 | 43.9 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 845 | D | 26.9 | Very low | 26.3 | Very low | 168 Ų | 168 | 130.3 Ų | 130.3 | 90% | 0.898 | 80% | 0.802 | S | S | * | * | trans | 69 | 133.4 | 142 | -55.3 | -12.4 | 0 | 0 | 0 | 122.2 | ||||
| 846 | G | 25.2 | Very low | 26.3 | Very low | 82 Ų | 82 | 129.6 Ų | 129.6 | 85% | 0.845 | 80% | 0.799 | S | S | * | * | trans | 157.5 | 48.1 | 173 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 847 | N | 25.6 | Very low | 26.5 | Very low | 160 Ų | 160 | 124.4 Ų | 124.4 | 86% | 0.856 | 80% | 0.796 | S | S | * | * | trans | -72.9 | 163.5 | 158.9 | -142.6 | 23.6 | 0 | 0 | 0 | 108.6 | ||||
| 848 | P | 39.9 | Very low | 26.7 | Very low | 120 Ų | 120 | 124.7 Ų | 124.7 | 78% | 0.779 | 79% | 0.789 | S | S | * | * | cis | -144.6 | -172.2 | 19.9 | 44.6 | -24.4 | 0 | 0 | 0 | 117.2 | ||||
| 849 | G | 24.4 | Very low | 27.1 | Very low | 67 Ų | 67 | 122.7 Ų | 122.7 | 69% | 0.691 | 77% | 0.774 | S | S | * | * | trans | 114.7 | 97.9 | 162.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 850 | A | 25.6 | Very low | 27.3 | Very low | 101 Ų | 101 | 124.6 Ų | 124.6 | 84% | 0.835 | 76% | 0.762 | S | S | * | * | cis | 86.5 | 141.1 | 49.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 851 | A | 26.6 | Very low | 27.5 | Very low | 104 Ų | 104 | 128.2 Ų | 128.2 | 86% | 0.86 | 76% | 0.76 | S | S | * | * | trans | 68.2 | 148.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 852 | A | 28.1 | Very low | 27.7 | Very low | 81 Ų | 81 | 127.8 Ų | 127.8 | 67% | 0.669 | 75% | 0.754 | S | S | * | * | cis | -168.6 | 164.4 | -20.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 853 | L | 27.2 | Very low | 27.7 | Very low | 169 Ų | 169 | 126 Ų | 126 | 89% | 0.885 | 75% | 0.75 | S | S | * | * | trans | 34.2 | 142.3 | 143.5 | -69.1 | 154 | 0 | 0 | 0 | 120.6 | ||||
| 854 | G | 27.1 | Very low | 28 | Very low | 63 Ų | 63 | 127.1 Ų | 127.1 | 65% | 0.649 | 75% | 0.751 | S | S | * | * | cis | -169.3 | 155.9 | 3.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 855 | V | 25.5 | Very low | 28.3 | Very low | 125 Ų | 125 | 127 Ų | 127 | 76% | 0.758 | 75% | 0.75 | S | S | * | * | cis | 83.9 | 126.6 | 48.9 | 172.4 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 856 | R | 26.8 | Very low | 28.4 | Very low | 230 Ų | 230 | 126.3 Ų | 126.3 | 87% | 0.868 | 75% | 0.747 | S | S | * | * | trans | 73.7 | 146.2 | 173.9 | -71.2 | 167.3 | 179.4 | -145 | -3.5 | 118 | ||||
| 857 | G | 27.2 | Very low | 28.6 | Very low | 68 Ų | 68 | 126.9 Ų | 126.9 | 70% | 0.701 | 74% | 0.738 | S | S | * | * | cis | 156 | -165.3 | -8.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 858 | N | 30.2 | Very low | 28.8 | Very low | 118 Ų | 118 | 126.7 Ų | 126.7 | 63% | 0.631 | 74% | 0.737 | S | S | * | * | trans | 81.9 | 136.7 | 162.9 | -71.5 | 29.4 | 0 | 0 | 0 | 118.1 | ||||
| 859 | E | 30.4 | Very low | 28.7 | Very low | 118 Ų | 118 | 124.9 Ų | 124.9 | 55% | 0.551 | 73% | 0.727 | S | S | * | * | cis | -168 | 165.3 | -7.1 | -127.7 | 168.7 | -156.6 | 0 | 0 | 113.9 | ||||
| 860 | R | 28.7 | Very low | 28.8 | Very low | 167 Ų | 167 | 131.8 Ų | 131.8 | 63% | 0.63 | 73% | 0.734 | S | S | * | * | trans | 73.2 | 152.8 | 153.7 | -67 | 155.9 | -157.2 | -97.3 | -7.3 | 118.8 | ||||
| 861 | Y | 29.9 | Very low | 29.1 | Very low | 187 Ų | 187 | 132.7 Ų | 132.7 | 73% | 0.733 | 73% | 0.725 | S | S | * | * | cis | -129.8 | -173.7 | 3.2 | -98.7 | -57.1 | 0 | 0 | 0 | 112.4 | ||||
| 862 | E | 30 | Very low | 29.3 | Very low | 159 Ų | 159 | 132.4 Ų | 132.4 | 74% | 0.743 | 72% | 0.716 | S | S | * | * | trans | -120.2 | 172.7 | -156.2 | -54.9 | 163.9 | 123.7 | 0 | 0 | 115.2 | ||||
| 863 | N | 26.6 | Very low | 29.2 | Very low | 148 Ų | 148 | 136.2 Ų | 136.2 | 79% | 0.791 | 73% | 0.725 | S | S | * | * | trans | 70.3 | 159 | 158.8 | -65.3 | -0.1 | 0 | 0 | 0 | 119.3 | ||||
| 864 | D | 30.1 | Very low | 30.2 | Very low | 141 Ų | 141 | 133.2 Ų | 133.2 | 75% | 0.754 | 72% | 0.716 | S | S | * | * | cis | 157.1 | 155.4 | -21.8 | -136.9 | 0.1 | 0 | 0 | 0 | 104.2 | ||||
| 865 | S | 32.9 | Very low | 30.2 | Very low | 90 Ų | 90 | 138.3 Ų | 138.3 | 63% | 0.629 | 72% | 0.723 | S | S | * | * | cis | -156.6 | -173.2 | -2.3 | -147 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 866 | D | 28.6 | Very low | 30.3 | Very low | 154 Ų | 154 | 141.1 Ų | 141.1 | 82% | 0.824 | 73% | 0.727 | S | S | * | * | trans | 116.6 | 135.4 | 168.1 | -72.8 | -16.4 | 0 | 0 | 0 | 116.3 | ||||
| 867 | S | 29.7 | Very low | 31.2 | Very low | 95 Ų | 95 | 135.3 Ų | 135.3 | 66% | 0.664 | 72% | 0.72 | S | S | * | * | cis | -157.2 | 128.5 | -27.1 | -54.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 868 | D | 30.1 | Very low | 31.1 | Very low | 156 Ų | 156 | 138.6 Ų | 138.6 | 83% | 0.834 | 73% | 0.73 | S | S | * | * | 18.9 | 159.5 | 125 | -74 | -6 | 0 | 0 | 0 | 123.8 | |||||
| 869 | S | 36.5 | Very low | 31 | Very low | 81 Ų | 81 | 139.1 Ų | 139.1 | 57% | 0.566 | 74% | 0.743 | S | S | * | * | cis | -176.7 | 176.6 | -18.7 | 61.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 870 | Y | 26.9 | Very low | 30.8 | Very low | 213 Ų | 213 | 136.4 Ų | 136.4 | 84% | 0.835 | 75% | 0.747 | S | S | * | * | trans | 165.6 | 93.4 | 144 | -105 | -86.8 | 0 | 0 | 0 | 108.5 | ||||
| 871 | N | 31.8 | Very low | 30.9 | Very low | 120 Ų | 120 | 133.6 Ų | 133.6 | 64% | 0.642 | 75% | 0.753 | S | S | * | * | 75.9 | 134.6 | 91.7 | -69.3 | -40.6 | 0 | 0 | 0 | 115.7 | |||||
| 872 | S | 31.1 | Very low | 30.8 | Very low | 98 Ų | 98 | 134.2 Ų | 134.2 | 69% | 0.685 | 76% | 0.76 | S | S | * | * | cis | -178.5 | 128.8 | -12.9 | 47.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 873 | D | 26 | Very low | 30.6 | Very low | 160 Ų | 160 | 133.6 Ų | 133.6 | 86% | 0.856 | 76% | 0.762 | S | S | * | * | trans | 49 | 170.1 | 136.7 | -90.3 | 6.3 | 0 | 0 | 0 | 124.3 | ||||
| 874 | P | 47.7 | Very low | 30.7 | Very low | 106 Ų | 106 | 136 Ų | 136 | 69% | 0.688 | 77% | 0.765 | S | S | * | * | cis | -138.8 | -169.8 | -8.7 | 27.5 | -1.4 | 0 | 0 | 0 | 117 | ||||
| 875 | E | 27.8 | Very low | 30.6 | Very low | 170 Ų | 170 | 133.2 Ų | 133.2 | 79% | 0.794 | 76% | 0.762 | S | S | * | * | trans | 88.7 | 99.1 | 152.5 | -55.1 | -150.8 | 155.7 | 0 | 0 | 124.2 | ||||
| 876 | H | 27.8 | Very low | 30.4 | Very low | 184 Ų | 184 | 136 Ų | 136 | 85% | 0.852 | 77% | 0.77 | S | S | * | * | 65.4 | 162.3 | 129.5 | -84 | -35.1 | 0 | 0 | 0 | 123.2 | |||||
| 877 | P | 45.6 | Very low | 30.6 | Very low | 109 Ų | 109 | 139 Ų | 139 | 71% | 0.708 | 77% | 0.771 | S | S | * | * | trans | -118.7 | 159.9 | -138 | 42.5 | -33.9 | 0 | 0 | 0 | 117.5 | ||||
| 878 | C | 24.7 | Very low | 30.8 | Very low | 137 Ų | 137 | 140 Ų | 140 | 93% | 0.926 | 77% | 0.773 | S | S | * | * | trans | -138.4 | 163.4 | 158.2 | -91.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 879 | S | 29.1 | Very low | 31.2 | Very low | 128 Ų | 128 | 136 Ų | 136 | 90% | 0.895 | 75% | 0.751 | S | S | * | * | trans | -82.8 | 149.9 | -177.6 | 45.8 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 880 | G | 24.7 | Very low | 31.3 | Very low | 62 Ų | 62 | 138.5 Ų | 138.5 | 64% | 0.639 | 77% | 0.766 | S | S | * | * | trans | -172.1 | 115.6 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 881 | S | 31.1 | Very low | 32.4 | Very low | 108 Ų | 108 | 130.8 Ų | 130.8 | 76% | 0.755 | 74% | 0.743 | S | S | * | * | trans | -75.6 | 141.9 | 163.3 | -175.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 882 | F | 27.1 | Very low | 33.3 | Very low | 199 Ų | 199 | 125.3 Ų | 125.3 | 87% | 0.873 | 71% | 0.714 | S | S | * | * | trans | -124 | 124.9 | 169.7 | -87.6 | -77.4 | 0 | 0 | 0 | 110.5 | ||||
| 883 | D | 27.5 | Very low | 34.8 | Very low | 147 Ų | 147 | 122.5 Ų | 122.5 | 79% | 0.786 | 70% | 0.7 | S | S | * | * | trans | -74.9 | 161.7 | -173.3 | -64 | -69.5 | 0 | 0 | 0 | 113.5 | A885 | D883-A885 PolarHBondContact O-N 3.16Š| ||
| 884 | K | 28.4 | Very low | 36.9 | Very low | 197 Ų | 197 | 118.5 Ų | 118.5 | 86% | 0.857 | 68% | 0.678 | S | S | * | * | trans | -76.1 | 116.4 | 161.5 | -72.4 | 179.7 | 176.9 | 177.4 | 0 | 108.8 | D886 | K884-D886 PolarHBondContact O-N 2.9Š| ||
| 885 | A | 26.7 | Very low | 37.9 | Very low | 83 Ų | 83 | 115.9 Ų | 115.9 | 69% | 0.686 | 66% | 0.66 | S | S | * | * | trans | -75 | 111.8 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | D883 | D883-A885 PolarHBondContact O-N 3.16Š| ||
| 886 | D | 28.7 | Very low | 39.2 | Very low | 149 Ų | 149 | 111.3 Ų | 111.3 | 80% | 0.797 | 65% | 0.651 | S | S | * | * | trans | -77.2 | 122 | 166.5 | -80.2 | -39.1 | 0 | 0 | 0 | 109.8 | K884 V888 | K884-D886 PolarHBondContact O-N 2.9Å; D886-V888 PolarHBondContact O-N 3.34Å | ||
| 887 | Y | 32.6 | Very low | 39.9 | Very low | 216 Ų | 216 | 103.8 Ų | 103.8 | 85% | 0.847 | 62% | 0.619 | S | S | * | * | trans | -78.6 | 87.3 | 178.6 | -79.2 | -95.8 | 0 | 0 | 0 | 111.3 | ||||
| 888 | V | 34.7 | Very low | 39.3 | Very low | 118 Ų | 118 | 105.4 Ų | 105.4 | 72% | 0.715 | 62% | 0.622 | S | S | * | * | trans | -86.4 | 111.6 | 167.3 | -177 | 0 | 0 | 0 | 0 | 109.2 | D886 | D886-V888 PolarHBondContact O-N 3.34Š| ||
| 889 | L | 38.6 | Very low | 39.6 | Very low | 70 Ų | 70 | 103.9 Ų | 103.9 | 37% | 0.366 | 61% | 0.61 | S | S | . | * | trans | -74.2 | 125.9 | 172.2 | -71.4 | 174.3 | 0 | 0 | 0 | 109.9 | L397 S891 | L397-L889 HydrophobicContact CD2-CD1 4.38Å; L889-S891 PolarHBondContact O-N 3.02Å | ||
| 890 | P | 39.1 | Very low | 39.5 | Very low | 135 Ų | 135 | 109.4 Ų | 109.4 | 88% | 0.877 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.3 | -10.7 | -177.9 | -25.1 | 34.9 | 0 | 0 | 0 | 115.6 | ||
| 891 | S | 48.7 | Very low | 39.7 | Very low | 50 Ų | 50 | 115 Ų | 115 | 35% | 0.35 | 63% | 0.626 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -97.7 | -10.4 | -170.7 | -10.1 | 0 | 0 | 0 | 0 | 114.9 | N400 P402 L889 | N400-S891 WeakPolarHBondContact ND2-CB 3.48Å; N400-S891 PolarHBondContact ND2-OG 3.34Å; N400-S891 WeakPolarHBondContact OD1-CB 3.47Å; P402-S891 WeakPolarHBondContact CA-O 3.46Å; L889-S891 PolarHBondContact O-N 3.02Å |
| 892 | C | 52.5 | Low | 39.6 | Very low | 6 Ų | 6 | 113.2 Ų | 113.2 | 4% | 0.041 | 62% | 0.624 | C | S | . | * | S | Bend | trans | -133.1 | 118.2 | 179.6 | -110.1 | 0 | 0 | 0 | 0 | 110.6 | N401 I894 | N401-C892 PolarHBondContact N-SG 3.23Å; N401-C892 VanDerWaalsContact N-SG 3.41Å; N401-C892 PolarHBondContact O-SG 3.26Å; N401-C892 VanDerWaalsContact O-SG 3.35Å; C892-I894 PolarHBondContact O-N 3.32Å |
| 893 | G | 62.1 | Low | 39.5 | Very low | 38 Ų | 38 | 109.5 Ų | 109.5 | 39% | 0.392 | 62% | 0.623 | S | S | . | * | trans | -67.7 | 112.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | T405 Y406 | T405-G893 CarbonylContact C-O 3.58Å; T405-G893 WeakPolarHBondContact CA-O 3.4Å; T405-G893 VanDerWaalsContact CG2-O 3.25Å; T405-G893 WeakPolarHBondContact CG2-O 3.46Å; Y406-G893 PolarHBondContact N-O 3.35Å | ||
| 894 | I | 69.8 | Low | 39.7 | Very low | 77 Ų | 77 | 113.7 Ų | 113.7 | 40% | 0.395 | 63% | 0.628 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -111.5 | 118.9 | 174.4 | -61.1 | 173.4 | 0 | 0 | 0 | 108.5 | L397 Y406 C892 | L397-I894 HydrophobicContact CD2-CD1 3.67Å; Y406-I894 WeakPolarHBondContact O-CA 3.37Å; C892-I894 PolarHBondContact O-N 3.32Å |
| 895 | V | 69.6 | Low | 39.6 | Very low | 50 Ų | 50 | 109.8 Ų | 109.8 | 30% | 0.303 | 63% | 0.626 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -113.7 | 108.8 | 177.1 | -174.6 | 0 | 0 | 0 | 0 | 109 | Y406 V407 S408 | Y406-V895 PolarHBondContact O-N 3.07Å; V407-V895 WeakPolarHBondContact CA-O 3.45Å; V407-V895 HydrophobicContact CG1-CB 4.32Å; V407-V895 HydrophobicContact CG1-CG1 4.49Å; V407-V895 HydrophobicContact CG2-CB 4.21Å; S408-V895 PolarHBondContact N-O 2.87Å; S408-V895 VanDerWaalsContact N-O 3.08Å |
| 896 | A | 54.5 | Low | 39.7 | Very low | 74 Ų | 74 | 114.1 Ų | 114.1 | 61% | 0.612 | 63% | 0.632 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -95.6 | 120.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | N898 | A896-N898 VanDerWaalsContact C-N 3.28Å; A896-N898 PolarHBondContact O-N 3.4Å |
| 897 | S | 42.9 | Very low | 39.5 | Very low | 27 Ų | 27 | 112.9 Ų | 112.9 | 19% | 0.189 | 64% | 0.635 | C | S | . | * | trans | -77.5 | 72.9 | -180 | 67.8 | 0 | 0 | 0 | 0 | 112.1 | S408 | S408-S897 PolarHBondContact O-OG 2.64Š| ||
| 898 | N | 33 | Very low | 39.2 | Very low | 143 Ų | 143 | 110.4 Ų | 110.4 | 77% | 0.765 | 63% | 0.634 | S | S | * | * | trans | -82 | 138.6 | 165.4 | -99.5 | -6 | 0 | 0 | 0 | 110.2 | A896 R900 | A896-N898 VanDerWaalsContact C-N 3.28Å; A896-N898 PolarHBondContact O-N 3.4Å; N898-R900 PolarHBondContact O-N 2.9Å | ||
| 899 | P | 29.9 | Very low | 38.7 | Very low | 105 Ų | 105 | 108.1 Ų | 108.1 | 68% | 0.682 | 64% | 0.635 | S | S | * | * | trans | -68.3 | 121.4 | -179.2 | 27.3 | -33.9 | 0 | 0 | 0 | 110.8 | L901 | P899-L901 PolarHBondContact O-N 2.88Å; P899-L901 VanDerWaalsContact O-N 3.16Å | ||
| 900 | R | 28.3 | Very low | 38.1 | Very low | 243 Ų | 243 | 111.3 Ų | 111.3 | 92% | 0.917 | 66% | 0.663 | S | S | * | * | trans | -64.2 | 115.4 | 166.1 | -66 | -172.2 | -176.3 | -167.9 | 3.8 | 108.1 | N898 G902 | N898-R900 PolarHBondContact O-N 2.9Å; R900-G902 PolarHBondContact O-N 2.98Å | ||
| 901 | L | 28.6 | Very low | 37.4 | Very low | 180 Ų | 180 | 108.4 Ų | 108.4 | 94% | 0.942 | 66% | 0.658 | S | S | * | * | trans | -58.8 | 113.2 | 172.1 | -86.3 | 161.6 | 0 | 0 | 0 | 108.8 | P899 S903 | P899-L901 PolarHBondContact O-N 2.88Å; P899-L901 VanDerWaalsContact O-N 3.16Å; L901-S903 PolarHBondContact O-N 2.75Å | ||
| 902 | G | 28.7 | Very low | 36.4 | Very low | 70 Ų | 70 | 114.9 Ų | 114.9 | 72% | 0.722 | 68% | 0.683 | S | S | * | * | trans | -68.9 | 112.6 | -166.9 | 0 | 0 | 0 | 0 | 0 | 113 | R900 R904 | R900-G902 PolarHBondContact O-N 2.98Å; G902-R904 PolarHBondContact O-N 3.07Å | ||
| 903 | S | 25.2 | Very low | 35 | Very low | 121 Ų | 121 | 121.7 Ų | 121.7 | 85% | 0.846 | 72% | 0.718 | S | S | * | * | trans | -67.9 | 123.4 | 161.6 | -168.4 | 0 | 0 | 0 | 0 | 109 | L901 S905 | L901-S903 PolarHBondContact O-N 2.75Å; S903-S905 PolarHBondContact O-N 3.36Å | ||
| 904 | R | 30.6 | Very low | 33.2 | Very low | 235 Ų | 235 | 126.5 Ų | 126.5 | 89% | 0.887 | 74% | 0.735 | S | S | * | * | trans | -82 | 100.4 | 177.7 | -82.8 | 178.2 | 160.8 | -176.8 | -5 | 110.3 | G902 | G902-R904 PolarHBondContact O-N 3.07Š| ||
| 905 | S | 27.5 | Very low | 31.1 | Very low | 116 Ų | 116 | 127.6 Ų | 127.6 | 81% | 0.811 | 76% | 0.755 | S | S | * | * | trans | -90.3 | 114.6 | 160 | 51.6 | 0 | 0 | 0 | 0 | 109.8 | S903 | S903-S905 PolarHBondContact O-N 3.36Š| ||
| 906 | Q | 27.8 | Very low | 29 | Very low | 173 Ų | 173 | 131.2 Ų | 131.2 | 81% | 0.808 | 78% | 0.779 | S | S | * | * | trans | -79.5 | 151.1 | 175.1 | -69.6 | 177 | -37.6 | 0 | 0 | 111.2 | I908 | Q906-I908 PolarHBondContact O-N 3.46Š| ||
| 907 | S | 25.7 | Very low | 27.6 | Very low | 123 Ų | 123 | 133.2 Ų | 133.2 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | trans | -70.2 | 123.3 | 170.3 | 53.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 908 | I | 25.8 | Very low | 26.8 | Very low | 164 Ų | 164 | 138.5 Ų | 138.5 | 84% | 0.841 | 82% | 0.82 | S | S | * | * | trans | -126.2 | 138.1 | 161.8 | -63.7 | -178 | 0 | 0 | 0 | 107.3 | Q906 | Q906-I908 PolarHBondContact O-N 3.46Š| ||
| 909 | G | 23.5 | Very low | 26.4 | Very low | 70 Ų | 70 | 138.7 Ų | 138.7 | 72% | 0.722 | 82% | 0.819 | S | S | * | * | trans | -86 | -178.2 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 910 | S | 27.4 | Very low | 26.1 | Very low | 137 Ų | 137 | 141.8 Ų | 141.8 | 96% | 0.958 | 82% | 0.824 | S | S | * | * | trans | -39.8 | 131 | -173.4 | -45.7 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 911 | G | 24.2 | Very low | 26 | Very low | 75 Ų | 75 | 136.1 Ų | 136.1 | 77% | 0.773 | 82% | 0.816 | S | S | * | * | trans | -153.7 | 132.8 | 161.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 912 | E | 26 | Very low | 25.8 | Very low | 186 Ų | 186 | 133.6 Ų | 133.6 | 87% | 0.869 | 81% | 0.809 | S | S | * | * | trans | -74.3 | 145.6 | 177.7 | -58.3 | 171.8 | 124.9 | 0 | 0 | 110.7 | ||||
| 913 | L | 24.1 | Very low | 25.6 | Very low | 148 Ų | 148 | 133.7 Ų | 133.7 | 78% | 0.775 | 81% | 0.81 | S | S | * | * | 164.6 | 136 | 121.7 | -87 | 158.9 | 0 | 0 | 0 | 113.5 | |||||
| 914 | N | 24.6 | Very low | 25.6 | Very low | 140 Ų | 140 | 133.2 Ų | 133.2 | 75% | 0.749 | 81% | 0.805 | S | S | * | * | trans | 42.2 | 113.6 | 146.8 | -59.4 | -7.3 | 0 | 0 | 0 | 120.7 | ||||
| 915 | A | 24.4 | Very low | 25.4 | Very low | 100 Ų | 100 | 129.6 Ų | 129.6 | 83% | 0.826 | 80% | 0.798 | S | S | * | * | trans | -70.7 | 152 | 151.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 916 | P | 27.3 | Very low | 25.4 | Very low | 125 Ų | 125 | 130.8 Ų | 130.8 | 81% | 0.812 | 80% | 0.795 | S | S | * | * | trans | -120.5 | 135.1 | 143.8 | 34.7 | -27.1 | 0 | 0 | 0 | 111.5 | ||||
| 917 | S | 25.1 | Very low | 25.3 | Very low | 117 Ų | 117 | 126.2 Ų | 126.2 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | -83.2 | 136.1 | 170.6 | 47.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 918 | V | 25.2 | Very low | 25.5 | Very low | 138 Ų | 138 | 126.2 Ų | 126.2 | 84% | 0.836 | 79% | 0.789 | S | S | * | * | trans | -150.4 | 139.1 | 147.7 | 164.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 919 | I | 24.8 | Very low | 25.6 | Very low | 146 Ų | 146 | 123.9 Ų | 123.9 | 75% | 0.749 | 79% | 0.788 | S | S | * | * | trans | -90.7 | 143.2 | 172.5 | -64.9 | 163.9 | 0 | 0 | 0 | 109 | V921 | I919-V921 HydrophobicContact CG2-CG2 4.15Š| ||
| 920 | H | 23.6 | Very low | 25.9 | Very low | 170 Ų | 170 | 126.8 Ų | 126.8 | 79% | 0.787 | 79% | 0.787 | S | S | * | * | trans | -136.5 | 109.5 | 152.3 | -126.1 | -50.9 | 0 | 0 | 0 | 111.3 | ||||
| 921 | V | 25.1 | Very low | 26.1 | Very low | 124 Ų | 124 | 126.5 Ų | 126.5 | 75% | 0.752 | 77% | 0.773 | S | S | * | * | trans | -97.9 | 137.3 | 161.5 | 176.1 | 0 | 0 | 0 | 0 | 107.2 | I919 | I919-V921 HydrophobicContact CG2-CG2 4.15Š| ||
| 922 | T | 25.3 | Very low | 26.3 | Very low | 128 Ų | 128 | 130.3 Ų | 130.3 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | trans | -139.5 | 141.4 | 164.8 | 39.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 923 | G | 24.2 | Very low | 26.5 | Very low | 72 Ų | 72 | 128.1 Ų | 128.1 | 74% | 0.742 | 77% | 0.77 | S | S | * | * | trans | -150.7 | 161.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 924 | C | 24.6 | Very low | 26.7 | Very low | 110 Ų | 110 | 131.1 Ų | 131.1 | 74% | 0.743 | 78% | 0.777 | S | S | * | * | trans | -144.5 | 134.7 | 169.6 | -82.9 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 925 | Q | 27.5 | Very low | 26.9 | Very low | 160 Ų | 160 | 129.5 Ų | 129.5 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | 60.3 | 135.1 | 72.8 | -62.3 | -166.6 | -76.6 | 0 | 0 | 113.2 | |||||
| 926 | D | 27.6 | Very low | 28 | Very low | 140 Ų | 140 | 130.8 Ų | 130.8 | 75% | 0.749 | 78% | 0.776 | S | S | * | * | cis | -160.5 | 162.1 | -10.6 | -106.2 | -34.1 | 0 | 0 | 0 | 109 | ||||
| 927 | G | 26.2 | Very low | 28 | Very low | 77 Ų | 77 | 128.3 Ų | 128.3 | 79% | 0.794 | 77% | 0.774 | S | S | * | * | trans | -173.2 | 113.7 | 176 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 928 | V | 28.6 | Very low | 28.1 | Very low | 123 Ų | 123 | 127.4 Ų | 127.4 | 75% | 0.745 | 77% | 0.773 | S | S | * | * | trans | -116.9 | 134.6 | -166 | 175 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 929 | S | 28.9 | Very low | 28.2 | Very low | 116 Ų | 116 | 125.6 Ų | 125.6 | 81% | 0.811 | 77% | 0.772 | S | S | * | * | trans | -169.2 | 102.3 | 147.4 | 34 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 930 | D | 30.3 | Very low | 28.5 | Very low | 131 Ų | 131 | 123.2 Ų | 123.2 | 70% | 0.701 | 77% | 0.769 | S | S | * | * | 21.5 | 144.7 | 118.5 | -66.6 | 3.9 | 0 | 0 | 0 | 119.7 | |||||
| 931 | I | 31.1 | Very low | 28.7 | Very low | 131 Ų | 131 | 123.2 Ų | 123.2 | 67% | 0.672 | 77% | 0.774 | S | S | * | * | cis | -164.9 | 141.4 | 4.3 | -111.9 | 162 | 0 | 0 | 0 | 109 | ||||
| 932 | N | 28.7 | Very low | 28.9 | Very low | 154 Ų | 154 | 121.8 Ų | 121.8 | 82% | 0.824 | 78% | 0.775 | S | S | * | * | 167.2 | 150.3 | 122.2 | -115.4 | -48.4 | 0 | 0 | 0 | 115 | |||||
| 933 | D | 29.8 | Very low | 29 | Very low | 141 Ų | 141 | 125.1 Ų | 125.1 | 75% | 0.754 | 78% | 0.782 | S | S | * | * | trans | -90.2 | 148.8 | -173.5 | -77.5 | -66.7 | 0 | 0 | 0 | 116.2 | ||||
| 934 | K | 27.3 | Very low | 29.2 | Very low | 211 Ų | 211 | 131.1 Ų | 131.1 | 92% | 0.917 | 79% | 0.79 | S | S | * | * | -170.5 | 133.9 | 116.4 | -102.4 | 158.8 | -173 | 172.1 | 0 | 114.2 | |||||
| 935 | S | 29.9 | Very low | 29.4 | Very low | 105 Ų | 105 | 130.4 Ų | 130.4 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | trans | -128.6 | -173.1 | 173.9 | 68.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 936 | P | 47.1 | Very low | 29.4 | Very low | 127 Ų | 127 | 130.8 Ų | 130.8 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | cis | -135.7 | 179 | 2.1 | 42.2 | -25.1 | 0 | 0 | 0 | 115.9 | ||||
| 937 | G | 26.5 | Very low | 29.4 | Very low | 74 Ų | 74 | 132.3 Ų | 132.3 | 76% | 0.763 | 81% | 0.806 | S | S | * | * | trans | -178.3 | 109.9 | 167.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 938 | A | 28 | Very low | 29.6 | Very low | 98 Ų | 98 | 134.5 Ų | 134.5 | 81% | 0.81 | 80% | 0.798 | S | S | * | * | trans | -17.1 | 129.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 939 | A | 27.6 | Very low | 29.7 | Very low | 99 Ų | 99 | 134.7 Ų | 134.7 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | 75.8 | 138.6 | 63.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 940 | S | 30.3 | Very low | 29.8 | Very low | 97 Ų | 97 | 139.2 Ų | 139.2 | 68% | 0.678 | 80% | 0.801 | S | S | * | * | cis | -163.9 | 157.5 | 5.1 | 52.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 941 | L | 29.1 | Very low | 30.1 | Very low | 169 Ų | 169 | 135.7 Ų | 135.7 | 89% | 0.885 | 80% | 0.795 | S | S | * | * | trans | 48.9 | 130.5 | 145.6 | -62.7 | 164.4 | 0 | 0 | 0 | 118.9 | ||||
| 942 | A | 28.6 | Very low | 30.4 | Very low | 94 Ų | 94 | 133.5 Ų | 133.5 | 78% | 0.777 | 79% | 0.788 | S | S | * | * | -160.4 | 146.1 | 53.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 943 | E | 27.6 | Very low | 30.9 | Very low | 198 Ų | 198 | 130.5 Ų | 130.5 | 93% | 0.925 | 78% | 0.777 | S | S | * | * | trans | -97.1 | 140 | 159 | -65.1 | 178.6 | 121.3 | 0 | 0 | 108.7 | ||||
| 944 | E | 28.8 | Very low | 31.3 | Very low | 198 Ų | 198 | 130.3 Ų | 130.3 | 93% | 0.925 | 77% | 0.774 | S | S | * | * | trans | -142 | 123.4 | 163.2 | -158.8 | 166.4 | -129.4 | 0 | 0 | 109 | ||||
| 945 | A | 27.7 | Very low | 31.9 | Very low | 95 Ų | 95 | 125.9 Ų | 125.9 | 79% | 0.785 | 76% | 0.76 | S | S | * | * | trans | -96.2 | 115.3 | -168.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | L947 | A945-L947 PolarHBondContact O-N 2.83Š| ||
| 946 | L | 27.6 | Very low | 32.3 | Very low | 168 Ų | 168 | 123.1 Ų | 123.1 | 88% | 0.88 | 74% | 0.744 | S | S | * | * | trans | -80.8 | 98.9 | 170.7 | -78.8 | 170.8 | 0 | 0 | 0 | 110.9 | I948 | L946-I948 PolarHBondContact O-N 2.82Š| ||
| 947 | L | 27.5 | Very low | 32 | Very low | 172 Ų | 172 | 124.5 Ų | 124.5 | 90% | 0.901 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 119.7 | 160.6 | -76.9 | 155.3 | 0 | 0 | 0 | 109.2 | A945 | A945-L947 PolarHBondContact O-N 2.83Š|
| 948 | I | 31.7 | Very low | 32.6 | Very low | 124 Ų | 124 | 124.4 Ų | 124.4 | 64% | 0.636 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -97.1 | 119.5 | 170.3 | -61.3 | 179.8 | 0 | 0 | 0 | 108.2 | L946 | L946-I948 PolarHBondContact O-N 2.82Š|
| 949 | D | 29.7 | Very low | 33.3 | Very low | 127 Ų | 127 | 126.4 Ų | 126.4 | 68% | 0.679 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 131.7 | 179.8 | -177.3 | 18.9 | 0 | 0 | 0 | 111.2 | G951 | D949-G951 PolarHBondContact O-N 3.07Å; D949-G951 PolarHBondContact OD1-N 3.37Å |
| 950 | F | 30.6 | Very low | 33.8 | Very low | 211 Ų | 211 | 127.2 Ų | 127.2 | 93% | 0.925 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.1 | 27.9 | -179 | -81.6 | -90.8 | 0 | 0 | 0 | 112.6 | ||
| 951 | G | 37.2 | Very low | 34.2 | Very low | 56 Ų | 56 | 130.1 Ų | 130.1 | 58% | 0.577 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.9 | -5.6 | -173 | 0 | 0 | 0 | 0 | 0 | 117.2 | D949 | D949-G951 PolarHBondContact O-N 3.07Å; D949-G951 PolarHBondContact OD1-N 3.37Å |
| 952 | T | 38.2 | Very low | 35.1 | Very low | 86 Ų | 86 | 125.8 Ų | 125.8 | 53% | 0.528 | 68% | 0.681 | S | S | . | * | trans | -100.3 | 130.8 | -169.6 | -36.7 | 0 | 0 | 0 | 0 | 113.9 | A956 | T952-A956 HydrophobicContact CG2-CB 4.17Š| ||
| 953 | P | 38.6 | Very low | 35.6 | Very low | 91 Ų | 91 | 127.5 Ų | 127.5 | 59% | 0.591 | 67% | 0.673 | S | S | * | * | trans | -63.9 | 146.8 | 173.8 | -23.9 | 34.9 | 0 | 0 | 0 | 114.3 | D955 A956 | P953-D955 VanDerWaalsContact C-N 3.26Å; P953-D955 PolarHBondContact O-N 3.32Å; P953-A956 PolarHBondContact O-N 2.88Å | ||
| 954 | I | 37.8 | Very low | 36.2 | Very low | 136 Ų | 136 | 123.4 Ų | 123.4 | 70% | 0.697 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.5 | -32.5 | -174.5 | -72.7 | 171.4 | 0 | 0 | 0 | 113.5 | A956 Y957 C958 | I954-A956 PolarHBondContact O-N 3.06Å; I954-A956 VanDerWaalsContact O-N 3.1Å; I954-Y957 PolarHBondContact O-N 2.84Å; I954-Y957 VanDerWaalsContact O-N 3.12Å; I954-C958 PolarHBondContact O-N 2.69Å |
| 955 | D | 39.8 | Very low | 36.9 | Very low | 118 Ų | 118 | 117.6 Ų | 117.6 | 63% | 0.631 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -59.7 | -25.9 | -176.4 | -59.5 | -50.3 | 0 | 0 | 0 | 113.8 | P953 C958 Q959 | P953-D955 VanDerWaalsContact C-N 3.26Å; P953-D955 PolarHBondContact O-N 3.32Å; D955-C958 PolarHBondContact O-N 2.69Å; D955-Q959 PolarHBondContact O-N 3.01Å |
| 956 | A | 39 | Very low | 37.6 | Very low | 47 Ų | 47 | 120.1 Ų | 120.1 | 39% | 0.388 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -65.4 | -43.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | T952 P953 I954 C958 Q959 Q960 | T952-A956 HydrophobicContact CG2-CB 4.17Å; P953-A956 PolarHBondContact O-N 2.88Å; I954-A956 PolarHBondContact O-N 3.06Å; I954-A956 VanDerWaalsContact O-N 3.1Å; A956-C958 VanDerWaalsContact C-N 3.35Å; A956-C958 PolarHBondContact O-N 2.81Å; A956-Q959 PolarHBondContact O-N 2.54Å; A956-Q960 PolarHBondContact O-N 2.96Å; A956-Q960 VanDerWaalsContact O-N 3.16Å |
| 957 | Y | 41.1 | Very low | 38.2 | Very low | 156 Ų | 156 | 116.9 Ų | 116.9 | 61% | 0.612 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -65.6 | -38 | 178.2 | -88 | -86.2 | 0 | 0 | 0 | 111.9 | I954 Q959 Q960 F961 | I954-Y957 PolarHBondContact O-N 2.84Å; I954-Y957 VanDerWaalsContact O-N 3.12Å; Y957-Q959 PolarHBondContact O-N 2.94Å; Y957-Q960 PolarHBondContact O-N 2.86Å; Y957-F961 WeakPolarHBondContact O-CB 3.43Å; Y957-F961 PolarHBondContact O-N 3.35Å |
| 958 | C | 39.3 | Very low | 38.4 | Very low | 73 Ų | 73 | 117.5 Ų | 117.5 | 49% | 0.493 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -62.1 | -40.9 | 176.8 | -67.4 | 0 | 0 | 0 | 0 | 112.3 | I954 D955 A956 V962 | I954-C958 PolarHBondContact O-N 2.69Å; D955-C958 PolarHBondContact O-N 2.69Å; A956-C958 VanDerWaalsContact C-N 3.35Å; A956-C958 PolarHBondContact O-N 2.81Å; C958-V962 VanDerWaalsContact O-CG2 3.31Å; C958-V962 WeakPolarHBondContact O-CG2 3.35Å; C958-V962 PolarHBondContact O-N 2.77Å |
| 959 | Q | 40.8 | Very low | 38.4 | Very low | 139 Ų | 139 | 117.6 Ų | 117.6 | 65% | 0.65 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -70.3 | -38.8 | 178 | -68 | -176.4 | 19.2 | 0 | 0 | 112.3 | D955 A956 Y957 V962 Q963 | D955-Q959 PolarHBondContact O-N 3.01Å; A956-Q959 PolarHBondContact O-N 2.54Å; Y957-Q959 PolarHBondContact O-N 2.94Å; Q959-V962 PolarHBondContact O-N 2.85Å; Q959-Q963 PolarHBondContact O-N 2.84Å; Q959-Q963 VanDerWaalsContact O-N 3.1Å |
| 960 | Q | 38.6 | Very low | 38.5 | Very low | 116 Ų | 116 | 117.4 Ų | 117.4 | 54% | 0.542 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -67.3 | -42.6 | 179.7 | -162.5 | 165.5 | 4.3 | 0 | 0 | 111.9 | A956 Y957 V962 Q963 D964 | A956-Q960 PolarHBondContact O-N 2.96Å; A956-Q960 VanDerWaalsContact O-N 3.16Å; Y957-Q960 PolarHBondContact O-N 2.86Å; Q960-V962 VanDerWaalsContact C-N 3.29Å; Q960-V962 PolarHBondContact O-N 2.84Å; Q960-Q963 PolarHBondContact O-N 2.9Å; Q960-Q963 VanDerWaalsContact O-N 3.12Å; Q960-D964 PolarHBondContact O-N 3.45Å |
| 961 | F | 39.6 | Very low | 38.4 | Very low | 159 Ų | 159 | 116.1 Ų | 116.1 | 70% | 0.697 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -60.3 | -36.5 | 173.8 | -173.5 | -99.3 | 0 | 0 | 0 | 112.7 | Y957 A965 | Y957-F961 WeakPolarHBondContact O-CB 3.43Å; Y957-F961 PolarHBondContact O-N 3.35Å; F961-A965 WeakPolarHBondContact O-CB 3.46Å; F961-A965 PolarHBondContact O-N 2.89Å; F961-A965 VanDerWaalsContact O-N 3.09Å |
| 962 | V | 47.4 | Very low | 38.1 | Very low | 77 Ų | 77 | 119.1 Ų | 119.1 | 47% | 0.467 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -70.4 | -31.6 | 175.9 | 170.2 | 0 | 0 | 0 | 0 | 112.3 | C958 Q959 Q960 Q966 | C958-V962 VanDerWaalsContact O-CG2 3.31Å; C958-V962 WeakPolarHBondContact O-CG2 3.35Å; C958-V962 PolarHBondContact O-N 2.77Å; Q959-V962 PolarHBondContact O-N 2.85Å; Q960-V962 VanDerWaalsContact C-N 3.29Å; Q960-V962 PolarHBondContact O-N 2.84Å; V962-Q966 VanDerWaalsContact O-CG 3.23Å; V962-Q966 WeakPolarHBondContact O-CG 3.04Å; V962-Q966 PolarHBondContact O-N 3.41Å |
| 963 | Q | 39 | Very low | 37.5 | Very low | 130 Ų | 130 | 124.9 Ų | 124.9 | 61% | 0.607 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -73.5 | -40.8 | 173.9 | -74 | -173.2 | -40.8 | 0 | 0 | 112.7 | Q959 Q960 A965 Q966 T967 | Q959-Q963 PolarHBondContact O-N 2.84Å; Q959-Q963 VanDerWaalsContact O-N 3.1Å; Q960-Q963 PolarHBondContact O-N 2.9Å; Q960-Q963 VanDerWaalsContact O-N 3.12Å; Q963-A965 VanDerWaalsContact C-N 3.28Å; Q963-A965 PolarHBondContact O-N 3.09Å; Q963-Q966 PolarHBondContact O-N 3.48Å; Q963-Q966 VanDerWaalsContact O-N 3.07Å; Q963-T967 WeakPolarHBondContact O-CG2 3.28Å; Q963-T967 PolarHBondContact O-N 3.18Å; Q963-T967 PolarHBondContact O-OG1 3.09Å; Q963-T967 VanDerWaalsContact O-OG1 3.08Å |
| 964 | D | 39.8 | Very low | 37 | Very low | 113 Ų | 113 | 123.6 Ų | 123.6 | 60% | 0.604 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -65.1 | -33.8 | 176 | -75.8 | -18.5 | 0 | 0 | 0 | 111.9 | Q960 Q966 T967 | Q960-D964 PolarHBondContact O-N 3.45Å; D964-Q966 PolarHBondContact O-N 3Å; D964-T967 PolarHBondContact O-OG1 2.97Å |
| 965 | A | 44.6 | Very low | 36.5 | Very low | 76 Ų | 76 | 125.4 Ų | 125.4 | 63% | 0.628 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.6 | -16.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | F961 Q963 | F961-A965 WeakPolarHBondContact O-CB 3.46Å; F961-A965 PolarHBondContact O-N 2.89Å; F961-A965 VanDerWaalsContact O-N 3.09Å; Q963-A965 VanDerWaalsContact C-N 3.28Å; Q963-A965 PolarHBondContact O-N 3.09Å |
| 966 | Q | 42 | Very low | 36 | Very low | 147 Ų | 147 | 127.1 Ų | 127.1 | 69% | 0.687 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.3 | -7.5 | -175.1 | -75.1 | 175.8 | 13.3 | 0 | 0 | 114.5 | V962 Q963 D964 | V962-Q966 VanDerWaalsContact O-CG 3.23Å; V962-Q966 WeakPolarHBondContact O-CG 3.04Å; V962-Q966 PolarHBondContact O-N 3.41Å; Q963-Q966 PolarHBondContact O-N 3.48Å; Q963-Q966 VanDerWaalsContact O-N 3.07Å; D964-Q966 PolarHBondContact O-N 3Å |
| 967 | T | 39.5 | Very low | 35.8 | Very low | 101 Ų | 101 | 130.2 Ų | 130.2 | 62% | 0.62 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -110.6 | 10.4 | -165.1 | 47 | 0 | 0 | 0 | 0 | 115.9 | Q963 D964 | Q963-T967 WeakPolarHBondContact O-CG2 3.28Å; Q963-T967 PolarHBondContact O-N 3.18Å; Q963-T967 PolarHBondContact O-OG1 3.09Å; Q963-T967 VanDerWaalsContact O-OG1 3.08Å; D964-T967 PolarHBondContact O-OG1 2.97Å |
| 968 | K | 31.2 | Very low | 35.2 | Very low | 185 Ų | 185 | 127.3 Ų | 127.3 | 80% | 0.804 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -126.4 | 113 | 169.6 | -73.8 | -179.3 | -179.3 | 169.8 | 0 | 111.7 | ||
| 969 | P | 32.4 | Very low | 34.6 | Very low | 125 Ų | 125 | 128.7 Ų | 128.7 | 81% | 0.812 | 71% | 0.714 | S | S | * | * | trans | -72.1 | 134.3 | 176.4 | 29.8 | -33.5 | 0 | 0 | 0 | 110.7 | ||||
| 970 | V | 32 | Very low | 33.9 | Very low | 124 Ų | 124 | 125.7 Ų | 125.7 | 75% | 0.752 | 72% | 0.721 | S | S | * | * | trans | -84.2 | 116.1 | 168.7 | 178.9 | 0 | 0 | 0 | 0 | 108 | V972 | V970-V972 HydrophobicContact CG1-CG2 3.96Å; V970-V972 PolarHBondContact O-N 3.39Å | ||
| 971 | E | 27.7 | Very low | 33.3 | Very low | 183 Ų | 183 | 127.3 Ų | 127.3 | 86% | 0.855 | 74% | 0.738 | S | S | * | * | trans | -71.5 | 110 | 168.8 | -71.9 | -164.5 | 141.7 | 0 | 0 | 109.7 | ||||
| 972 | V | 30.9 | Very low | 32.7 | Very low | 120 Ų | 120 | 123.7 Ų | 123.7 | 73% | 0.727 | 74% | 0.738 | S | S | * | * | trans | -103.4 | 121.4 | 173.5 | 179.8 | 0 | 0 | 0 | 0 | 108.8 | V970 | V970-V972 HydrophobicContact CG1-CG2 3.96Å; V970-V972 PolarHBondContact O-N 3.39Å | ||
| 973 | F | 27 | Very low | 32.8 | Very low | 206 Ų | 206 | 125.6 Ų | 125.6 | 90% | 0.904 | 75% | 0.751 | S | S | * | * | trans | -124.9 | 138 | 161 | -93.4 | -81.3 | 0 | 0 | 0 | 109.3 | ||||
| 974 | G | 26.8 | Very low | 32.6 | Very low | 64 Ų | 64 | 125.2 Ų | 125.2 | 66% | 0.66 | 76% | 0.76 | S | S | * | * | trans | -132.9 | 161.8 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 975 | E | 27.1 | Very low | 32.6 | Very low | 175 Ų | 175 | 125.3 Ų | 125.3 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | trans | 59.1 | 106.8 | 151.6 | -57.4 | -161.5 | 127.4 | 0 | 0 | 121.7 | ||||
| 976 | L | 30.1 | Very low | 31.9 | Very low | 154 Ų | 154 | 128.6 Ų | 128.6 | 81% | 0.806 | 77% | 0.773 | S | S | * | * | trans | 70.5 | 169.1 | 131.4 | -63.2 | 168.2 | 0 | 0 | 0 | 118.4 | ||||
| 977 | P | 34.9 | Very low | 31.3 | Very low | 112 Ų | 112 | 128.3 Ų | 128.3 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | cis | -129.1 | 166 | -9 | 39.1 | -23.3 | 0 | 0 | 0 | 116.7 | ||||
| 978 | A | 27.9 | Very low | 30.7 | Very low | 95 Ų | 95 | 131.7 Ų | 131.7 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | trans | 57.4 | 135.4 | 139.6 | 0 | 0 | 0 | 0 | 0 | 125.6 | ||||
| 979 | A | 26.5 | Very low | 30.5 | Very low | 101 Ų | 101 | 131 Ų | 131 | 84% | 0.835 | 78% | 0.775 | S | S | * | * | trans | 83.9 | 85.6 | 137.8 | 0 | 0 | 0 | 0 | 0 | 123 | ||||
| 980 | G | 26 | Very low | 30.1 | Very low | 77 Ų | 77 | 133.8 Ų | 133.8 | 79% | 0.794 | 77% | 0.774 | S | S | * | * | 79.8 | 142.3 | 114.7 | 0 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 981 | V | 26.6 | Very low | 29.8 | Very low | 149 Ų | 149 | 133.9 Ų | 133.9 | 90% | 0.903 | 78% | 0.775 | S | S | * | * | trans | 177.9 | 152.9 | 138 | 144.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 982 | A | 27.1 | Very low | 30.2 | Very low | 84 Ų | 84 | 131.3 Ų | 131.3 | 69% | 0.694 | 77% | 0.774 | S | S | * | * | trans | -122.5 | -149.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 983 | P | 50.6 | Low | 29.9 | Very low | 116 Ų | 116 | 129.3 Ų | 129.3 | 75% | 0.753 | 77% | 0.77 | S | S | * | * | -117.1 | 171.5 | -102.1 | 39.8 | -27.4 | 0 | 0 | 0 | 115.7 | |||||
| 984 | P | 34.3 | Very low | 29.7 | Very low | 122 Ų | 122 | 126.7 Ų | 126.7 | 79% | 0.792 | 77% | 0.766 | S | S | * | * | trans | -91.6 | 170.5 | 166.2 | 9.9 | 10.1 | 0 | 0 | 0 | 114.1 | ||||
| 985 | P | 38.6 | Very low | 29.7 | Very low | 115 Ų | 115 | 128.8 Ų | 128.8 | 75% | 0.747 | 77% | 0.771 | S | S | * | * | trans | -120.3 | -173.1 | -148.8 | 13.4 | 12 | 0 | 0 | 0 | 115.5 | ||||
| 986 | L | 30.2 | Very low | 29.6 | Very low | 146 Ų | 146 | 128.3 Ų | 128.3 | 76% | 0.764 | 77% | 0.768 | S | S | * | * | cis | -178.4 | 151.4 | -44.4 | -108.5 | 170.7 | 0 | 0 | 0 | 110.8 | ||||
| 987 | Q | 30.8 | Very low | 29.5 | Very low | 141 Ų | 141 | 128.2 Ų | 128.2 | 66% | 0.659 | 76% | 0.764 | S | S | * | * | trans | 67.6 | 155.2 | 165.1 | -62.4 | 178.3 | 31.4 | 0 | 0 | 117.3 | ||||
| 988 | K | 25.5 | Very low | 29 | Very low | 171 Ų | 171 | 127.7 Ų | 127.7 | 74% | 0.743 | 76% | 0.763 | S | S | * | * | cis | -147.6 | 166.7 | 12.2 | -104.4 | 122 | 174.8 | 173 | 0 | 107.5 | ||||
| 989 | K | 27.3 | Very low | 28.9 | Very low | 170 Ų | 170 | 130.3 Ų | 130.3 | 74% | 0.739 | 76% | 0.763 | S | S | * | * | cis | -179.6 | 136.9 | -23 | -117.6 | -175 | 177 | 179.4 | 0 | 105.6 | ||||
| 990 | K | 24 | Very low | 28.8 | Very low | 185 Ų | 185 | 132 Ų | 132 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | trans | 63.6 | 119 | 154.3 | -66.4 | -166.4 | 167.3 | -163.4 | 0 | 122.6 | ||||
| 991 | T | 27 | Very low | 28.8 | Very low | 125 Ų | 125 | 136 Ų | 136 | 77% | 0.767 | 76% | 0.756 | S | S | * | * | 15.3 | 143.2 | 123.3 | 21.1 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 992 | P | 34.9 | Very low | 28.7 | Very low | 129 Ų | 129 | 134.7 Ų | 134.7 | 84% | 0.838 | 75% | 0.749 | S | S | * | * | -133.2 | -158.3 | 73.1 | 43.1 | -31.4 | 0 | 0 | 0 | 115.1 | |||||
| 993 | A | 25.3 | Very low | 28.6 | Very low | 78 Ų | 78 | 138.6 Ų | 138.6 | 65% | 0.645 | 75% | 0.752 | S | S | * | * | trans | -107.6 | -171.6 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 994 | D | 23.3 | Very low | 27.7 | Very low | 151 Ų | 151 | 139.4 Ų | 139.4 | 81% | 0.807 | 75% | 0.75 | S | S | * | * | trans | 70.4 | 172.2 | 168 | -54.3 | -35.6 | 0 | 0 | 0 | 117.8 | ||||
| 995 | S | 26.3 | Very low | 27.5 | Very low | 109 Ų | 109 | 141.8 Ų | 141.8 | 76% | 0.762 | 75% | 0.751 | S | S | * | * | trans | 63.2 | 114.8 | -155.1 | 59.3 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 996 | E | 25.2 | Very low | 27 | Very low | 164 Ų | 164 | 143.3 Ų | 143.3 | 77% | 0.766 | 75% | 0.753 | S | S | * | * | 67.4 | 144.1 | 61.9 | -62.9 | -174.6 | -163.1 | 0 | 0 | 112 | |||||
| 997 | Q | 27.6 | Very low | 26.7 | Very low | 153 Ų | 153 | 140 Ų | 140 | 72% | 0.715 | 75% | 0.746 | S | S | * | * | cis | -164.7 | 137 | 35.5 | -152.4 | 161.7 | 73.5 | 0 | 0 | 112.4 | ||||
| 998 | S | 25.2 | Very low | 26.5 | Very low | 101 Ų | 101 | 141.7 Ų | 141.7 | 71% | 0.706 | 75% | 0.754 | S | S | * | * | trans | 63.5 | 155.4 | 152.5 | 80.4 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 999 | N | 25.8 | Very low | 26.4 | Very low | 149 Ų | 149 | 140.1 Ų | 140.1 | 80% | 0.797 | 75% | 0.753 | S | S | * | * | cis | -151.2 | 170.7 | -27.1 | -122.6 | -28.1 | 0 | 0 | 0 | 111.8 | ||||
| 1000 | L | 24.2 | Very low | 27.5 | Very low | 138 Ų | 138 | 136.8 Ų | 136.8 | 72% | 0.723 | 75% | 0.749 | S | S | * | * | trans | -37.9 | 148.4 | 172 | -76.5 | 150.9 | 0 | 0 | 0 | 118.1 | ||||
| 1001 | Q | 24.8 | Very low | 27.7 | Very low | 159 Ų | 159 | 139.4 Ų | 139.4 | 74% | 0.743 | 75% | 0.754 | S | S | * | * | trans | 84.9 | 99.7 | 141.8 | -74.1 | 165.6 | 3.6 | 0 | 0 | 122 | ||||
| 1002 | T | 24.6 | Very low | 29 | Very low | 123 Ų | 123 | 139.1 Ų | 139.1 | 76% | 0.755 | 75% | 0.754 | S | S | * | * | 52.3 | 138.5 | 120.6 | 12.4 | 0 | 0 | 0 | 0 | 124.1 | |||||
| 1003 | Q | 24.6 | Very low | 28.9 | Very low | 166 Ų | 166 | 137.7 Ų | 137.7 | 78% | 0.776 | 75% | 0.747 | S | S | * | * | trans | 87.2 | 104.2 | 152.4 | -67.5 | -177.8 | 0.9 | 0 | 0 | 121 | ||||
| 1004 | N | 31.6 | Very low | 29.2 | Very low | 132 Ų | 132 | 142.2 Ų | 142.2 | 71% | 0.706 | 76% | 0.755 | S | S | * | * | 72.4 | 142.3 | 125.8 | -65.9 | 0.1 | 0 | 0 | 0 | 123.9 | |||||
| 1005 | Q | 30.5 | Very low | 29.4 | Very low | 173 Ų | 173 | 141.3 Ų | 141.3 | 81% | 0.808 | 75% | 0.749 | S | S | * | * | trans | 71.2 | 151.8 | 155.5 | -72.1 | 161.5 | -19.9 | 0 | 0 | 116.1 | ||||
| 1006 | D | 27.7 | Very low | 29.4 | Very low | 147 Ų | 147 | 141.9 Ų | 141.9 | 79% | 0.786 | 74% | 0.744 | S | S | * | * | cis | -160.8 | -164.7 | 14.4 | -142.2 | -23.9 | 0 | 0 | 0 | 113.1 | ||||
| 1007 | A | 23.9 | Very low | 29.6 | Very low | 76 Ų | 76 | 138.8 Ų | 138.8 | 63% | 0.628 | 74% | 0.736 | S | S | * | * | trans | 84.6 | 117 | 159.4 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1008 | Q | 26.2 | Very low | 29.4 | Very low | 176 Ų | 176 | 139.6 Ų | 139.6 | 82% | 0.822 | 74% | 0.74 | S | S | * | * | 75.7 | 142.8 | 75.2 | -72.5 | -169.5 | -0.3 | 0 | 0 | 114.4 | |||||
| 1009 | L | 24.6 | Very low | 30 | Very low | 139 Ų | 139 | 141.1 Ų | 141.1 | 73% | 0.728 | 75% | 0.745 | S | S | * | * | cis | -169.4 | -168.5 | 3.5 | -107.3 | 170.1 | 0 | 0 | 0 | 107.4 | ||||
| 1010 | P | 50.6 | Low | 30 | Very low | 99 Ų | 99 | 139.6 Ų | 139.6 | 64% | 0.643 | 75% | 0.746 | S | S | * | * | cis | -135.2 | 157.4 | -28 | 36.4 | -18.5 | 0 | 0 | 0 | 117.1 | ||||
| 1011 | R | 27.9 | Very low | 30.4 | Very low | 241 Ų | 241 | 139.5 Ų | 139.5 | 91% | 0.909 | 75% | 0.751 | S | S | * | * | trans | 55.8 | 156.8 | 147.4 | -86.6 | -176 | 173.6 | 173.2 | -0.9 | 122.3 | ||||
| 1012 | P | 54.6 | Low | 30.6 | Very low | 118 Ų | 118 | 138.1 Ų | 138.1 | 77% | 0.766 | 76% | 0.759 | S | S | * | * | cis | -114.1 | -146.7 | -11.7 | 43.6 | -29.4 | 0 | 0 | 0 | 109.8 | ||||
| 1013 | S | 31.9 | Very low | 30.6 | Very low | 100 Ų | 100 | 135.4 Ų | 135.4 | 70% | 0.699 | 76% | 0.756 | S | S | * | * | cis | -155.4 | 151.1 | -4.5 | 43.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 1014 | Q | 32.3 | Very low | 30.7 | Very low | 172 Ų | 172 | 132.4 Ų | 132.4 | 80% | 0.804 | 75% | 0.753 | S | S | * | * | trans | 4.1 | 138.6 | 148.3 | -53.9 | -163.2 | -57.2 | 0 | 0 | 120.1 | ||||
| 1015 | L | 27.9 | Very low | 30.4 | Very low | 132 Ų | 132 | 133 Ų | 133 | 69% | 0.691 | 76% | 0.757 | S | S | * | * | cis | -168.7 | 172.5 | 4.6 | -133.9 | 71.3 | 0 | 0 | 0 | 107.9 | ||||
| 1016 | D | 26 | Very low | 30.3 | Very low | 121 Ų | 121 | 131.9 Ų | 131.9 | 65% | 0.647 | 76% | 0.755 | S | S | * | * | cis | -159.8 | 169 | -2.2 | -147.4 | 6.1 | 0 | 0 | 0 | 114.7 | ||||
| 1017 | V | 28.5 | Very low | 30.1 | Very low | 100 Ų | 100 | 132.2 Ų | 132.2 | 61% | 0.606 | 76% | 0.756 | S | S | * | * | trans | 28.3 | 135.5 | 136.6 | 161 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 1018 | Q | 23.6 | Very low | 30 | Very low | 170 Ų | 170 | 133.5 Ų | 133.5 | 79% | 0.794 | 76% | 0.761 | S | S | * | * | cis | -160.1 | 161.3 | -9 | -120.6 | 172 | 29.9 | 0 | 0 | 112.8 | ||||
| 1019 | T | 37.9 | Very low | 29.8 | Very low | 132 Ų | 132 | 131.2 Ų | 131.2 | 81% | 0.81 | 76% | 0.758 | S | S | * | * | trans | -125.9 | 164.6 | 161.6 | 50.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1020 | S | 26.9 | Very low | 29.7 | Very low | 117 Ų | 117 | 133.6 Ų | 133.6 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | trans | -150.1 | 148.4 | 164.7 | 60 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1021 | T | 31.6 | Very low | 28.6 | Very low | 137 Ų | 137 | 140 Ų | 140 | 84% | 0.84 | 78% | 0.777 | S | S | * | * | trans | -147.2 | 145.8 | -170.2 | 40.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1022 | S | 29.2 | Very low | 29 | Very low | 129 Ų | 129 | 133.7 Ų | 133.7 | 90% | 0.902 | 77% | 0.767 | S | S | * | * | trans | 176.8 | 157.8 | 162.1 | 48.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1023 | G | 24.3 | Very low | 27.6 | Very low | 67 Ų | 67 | 132.7 Ų | 132.7 | 69% | 0.691 | 76% | 0.763 | S | S | * | * | cis | 161.2 | 100.6 | -8.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1024 | S | 26.6 | Very low | 27.4 | Very low | 103 Ų | 103 | 133.7 Ų | 133.7 | 72% | 0.72 | 77% | 0.77 | S | S | * | * | trans | 44.6 | 127.5 | 156.9 | 61.1 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 1025 | N | 25.9 | Very low | 27.1 | Very low | 145 Ų | 145 | 130.1 Ų | 130.1 | 78% | 0.775 | 77% | 0.77 | S | S | * | * | 165 | 157.2 | 108.5 | -91.3 | -44.1 | 0 | 0 | 0 | 118.4 | |||||
| 1026 | L | 27.6 | Very low | 27.2 | Very low | 148 Ų | 148 | 128.7 Ų | 128.7 | 78% | 0.775 | 78% | 0.777 | S | S | * | * | trans | 73.3 | 101.5 | 149.5 | -71.4 | 162.7 | 0 | 0 | 0 | 124.7 | ||||
| 1027 | L | 23.2 | Very low | 27.3 | Very low | 155 Ų | 155 | 128.8 Ų | 128.8 | 81% | 0.812 | 79% | 0.788 | S | S | * | * | 38.9 | 128.8 | 124.5 | -68.6 | 174 | 0 | 0 | 0 | 125.5 | |||||
| 1028 | S | 22 | Very low | 27 | Very low | 103 Ų | 103 | 128 Ų | 128 | 72% | 0.72 | 80% | 0.8 | S | S | * | * | 104.6 | 117.4 | 124.4 | 72 | 0 | 0 | 0 | 0 | 124.9 | |||||
| 1029 | V | 23.6 | Very low | 27 | Very low | 128 Ų | 128 | 123.6 Ų | 123.6 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | 75.1 | 129.3 | 125.8 | 178.1 | 0 | 0 | 0 | 0 | 124.1 | |||||
| 1030 | Q | 20.8 | Very low | 26.3 | Very low | 188 Ų | 188 | 122.8 Ų | 122.8 | 88% | 0.879 | 80% | 0.799 | S | S | * | * | trans | 92.4 | 159.7 | 152.3 | -95.3 | 172.3 | -14.3 | 0 | 0 | 125 | ||||
| 1031 | R | 28.8 | Very low | 26.2 | Very low | 234 Ų | 234 | 124.5 Ų | 124.5 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | trans | -103.9 | -176.9 | 175.9 | -60 | 177.6 | 174.1 | 163.6 | -3.6 | 108.8 | ||||
| 1032 | P | 36.1 | Very low | 25.9 | Very low | 109 Ų | 109 | 128.2 Ų | 128.2 | 71% | 0.708 | 79% | 0.793 | S | S | * | * | cis | -153.8 | -173.1 | 19.1 | 39.3 | -13.1 | 0 | 0 | 0 | 120.3 | ||||
| 1033 | S | 24.3 | Very low | 25.6 | Very low | 97 Ų | 97 | 126.9 Ų | 126.9 | 68% | 0.678 | 78% | 0.784 | S | S | * | * | trans | 64.2 | 105.5 | 138.5 | 63 | 0 | 0 | 0 | 0 | 126.3 | ||||
| 1034 | S | 28.9 | Very low | 25.6 | Very low | 120 Ų | 120 | 131.8 Ų | 131.8 | 84% | 0.839 | 79% | 0.793 | S | S | * | * | 50.7 | 130.6 | 117.5 | 67.8 | 0 | 0 | 0 | 0 | 126.7 | |||||
| 1035 | A | 26.2 | Very low | 25.3 | Very low | 98 Ų | 98 | 133 Ų | 133 | 81% | 0.81 | 80% | 0.802 | S | S | * | * | trans | -164 | 127.6 | 142.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1036 | A | 28.7 | Very low | 25.3 | Very low | 102 Ų | 102 | 130.9 Ų | 130.9 | 84% | 0.843 | 80% | 0.798 | S | S | * | * | 79.6 | 139.1 | 74.3 | 0 | 0 | 0 | 0 | 0 | 114 | |||||
| 1037 | S | 27.9 | Very low | 25.1 | Very low | 123 Ų | 123 | 131.1 Ų | 131.1 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | cis | -165.7 | 158.8 | 5.4 | 55.3 | 0 | 0 | 0 | 0 | 115 | ||||
| 1038 | G | 23.5 | Very low | 25.2 | Very low | 84 Ų | 84 | 130.6 Ų | 130.6 | 87% | 0.866 | 79% | 0.794 | S | S | * | * | trans | 118 | 144.7 | 154.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1039 | G | 22.7 | Very low | 25.4 | Very low | 76 Ų | 76 | 134 Ų | 134 | 78% | 0.784 | 80% | 0.799 | S | S | * | * | cis | 165.2 | 143.6 | -12.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1040 | S | 23.3 | Very low | 25.4 | Very low | 115 Ų | 115 | 130.9 Ų | 130.9 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | trans | 78 | 155.1 | 171.7 | -146.5 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1041 | Q | 25.5 | Very low | 25.6 | Very low | 153 Ų | 153 | 127.6 Ų | 127.6 | 72% | 0.715 | 79% | 0.79 | S | S | * | * | cis | -158.7 | 147.7 | -41 | -103.8 | -163.9 | 30.8 | 0 | 0 | 111.5 | ||||
| 1042 | R | 25.5 | Very low | 25.4 | Very low | 216 Ų | 216 | 124.6 Ų | 124.6 | 82% | 0.815 | 79% | 0.791 | S | S | * | * | trans | 49.5 | 139.2 | 145 | -71 | -176.6 | 164.7 | 173.1 | -5.6 | 125.7 | ||||
| 1043 | S | 22.7 | Very low | 24.8 | Very low | 101 Ų | 101 | 122.6 Ų | 122.6 | 71% | 0.706 | 79% | 0.79 | S | S | * | * | trans | 79.2 | 114.7 | 133.9 | 57.5 | 0 | 0 | 0 | 0 | 125.4 | ||||
| 1044 | L | 22.9 | Very low | 25.2 | Very low | 170 Ų | 170 | 124 Ų | 124 | 89% | 0.89 | 80% | 0.797 | S | S | * | * | 45 | 122.1 | 124.6 | -64.2 | 165 | 0 | 0 | 0 | 122.5 | |||||
| 1045 | S | 21.9 | Very low | 25.4 | Very low | 128 Ų | 128 | 124 Ų | 124 | 90% | 0.895 | 80% | 0.797 | S | S | * | * | 175.8 | -180 | 122.1 | 44.7 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 1046 | S | 24.3 | Very low | 25.6 | Very low | 100 Ų | 100 | 125.6 Ų | 125.6 | 70% | 0.699 | 80% | 0.799 | S | S | * | * | trans | -134.9 | 174.4 | -151.2 | 51.3 | 0 | 0 | 0 | 0 | 116 | ||||
| 1047 | L | 25.2 | Very low | 25.5 | Very low | 153 Ų | 153 | 125.3 Ų | 125.3 | 80% | 0.801 | 80% | 0.797 | S | S | * | * | trans | 77.6 | 152.9 | 168.9 | -53.6 | 162.6 | 0 | 0 | 0 | 114.8 | ||||
| 1048 | M | 25.2 | Very low | 25.6 | Very low | 144 Ų | 144 | 126.8 Ų | 126.8 | 71% | 0.709 | 80% | 0.795 | S | S | * | * | cis | -169.8 | 172.6 | -8.6 | -102.6 | 173.6 | 78 | 0 | 0 | 107.2 | ||||
| 1049 | E | 25.3 | Very low | 26 | Very low | 176 Ų | 176 | 127.4 Ų | 127.4 | 82% | 0.822 | 79% | 0.786 | S | S | * | * | cis | -172.1 | 158.7 | -25.5 | -179.6 | 164.8 | -66.9 | 0 | 0 | 110.3 | ||||
| 1050 | G | 23.9 | Very low | 26.3 | Very low | 62 Ų | 62 | 131.5 Ų | 131.5 | 64% | 0.639 | 79% | 0.79 | S | S | * | * | trans | 125.2 | 121.3 | 170.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1051 | S | 24.6 | Very low | 26.4 | Very low | 118 Ų | 118 | 129.1 Ų | 129.1 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | 77.1 | 128.5 | 65.5 | -74.5 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 1052 | L | 25.4 | Very low | 26.4 | Very low | 171 Ų | 171 | 127.5 Ų | 127.5 | 90% | 0.895 | 79% | 0.789 | S | S | * | * | cis | -153.2 | 175 | 9 | -105.7 | 160.3 | 0 | 0 | 0 | 112 | ||||
| 1053 | G | 22 | Very low | 26.6 | Very low | 67 Ų | 67 | 128.7 Ų | 128.7 | 69% | 0.691 | 79% | 0.794 | S | S | * | * | trans | -84.8 | -151 | -174 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1054 | P | 33.8 | Very low | 27 | Very low | 128 Ų | 128 | 130.4 Ų | 130.4 | 83% | 0.831 | 80% | 0.799 | S | S | * | * | cis | -139.7 | -166.5 | 30.7 | 43.6 | -24.6 | 0 | 0 | 0 | 116.7 | ||||
| 1055 | S | 32.1 | Very low | 27.5 | Very low | 120 Ų | 120 | 126.5 Ų | 126.5 | 84% | 0.839 | 78% | 0.783 | S | S | * | * | trans | -152.7 | 149.8 | 168.1 | -72.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1056 | P | 31.8 | Very low | 28.1 | Very low | 130 Ų | 130 | 122.8 Ų | 122.8 | 84% | 0.844 | 76% | 0.756 | S | S | * | * | trans | -115 | 148.6 | -177.4 | 39.3 | -30.9 | 0 | 0 | 0 | 117.6 | ||||
| 1057 | A | 26.9 | Very low | 28.6 | Very low | 97 Ų | 97 | 121.3 Ų | 121.3 | 80% | 0.802 | 74% | 0.744 | S | S | * | * | trans | -45.6 | 176 | 158.7 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1058 | D | 29.1 | Very low | 29.2 | Very low | 154 Ų | 154 | 116.4 Ų | 116.4 | 82% | 0.824 | 72% | 0.717 | S | S | * | * | cis | 178.2 | -171.8 | -25.6 | -162.9 | -2.3 | 0 | 0 | 0 | 109.2 | ||||
| 1059 | S | 31 | Very low | 29.9 | Very low | 96 Ų | 96 | 111.6 Ų | 111.6 | 67% | 0.671 | 70% | 0.7 | S | S | * | * | trans | 80.9 | 154.5 | 164.9 | 86 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1060 | N | 30.6 | Very low | 30.6 | Very low | 163 Ų | 163 | 109.9 Ų | 109.9 | 87% | 0.872 | 69% | 0.69 | S | S | * | * | cis | -159.5 | 160.2 | -18.6 | -118.5 | -23.4 | 0 | 0 | 0 | 108.3 | ||||
| 1061 | G | 24.7 | Very low | 31.3 | Very low | 65 Ų | 65 | 110.4 Ų | 110.4 | 67% | 0.67 | 68% | 0.677 | S | S | * | * | cis | 177.9 | 166.7 | -4.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1062 | S | 26.4 | Very low | 32 | Very low | 119 Ų | 119 | 107.7 Ų | 107.7 | 83% | 0.832 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -152.3 | 163.9 | 165.9 | -170.6 | 0 | 0 | 0 | 0 | 109.4 | V1064 | S1062-V1064 PolarHBondContact O-N 2.92Š|
| 1063 | R | 29.8 | Very low | 32.6 | Very low | 240 Ų | 240 | 100.7 Ų | 100.7 | 91% | 0.906 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 117.5 | -163.9 | -71.7 | -180 | 174.5 | 168.6 | -2.9 | 113.3 | ||
| 1064 | V | 31.1 | Very low | 33.4 | Very low | 137 Ų | 137 | 100.5 Ų | 100.5 | 83% | 0.83 | 60% | 0.603 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 128.7 | 166.9 | 179.7 | 0 | 0 | 0 | 0 | 108.4 | S1062 | S1062-V1064 PolarHBondContact O-N 2.92Š|
| 1065 | V | 33.3 | Very low | 33.5 | Very low | 89 Ų | 89 | 98 Ų | 98 | 54% | 0.539 | 58% | 0.581 | S | S | . | * | P | Polyproline II helix | trans | -81.8 | 125.7 | 170 | 173.5 | 0 | 0 | 0 | 0 | 108.3 | A1069 | V1065-A1069 HydrophobicContact CG1-CB 3.69Š|
| 1066 | S | 33.2 | Very low | 33.8 | Very low | 49 Ų | 49 | 94.8 Ų | 94.8 | 34% | 0.343 | 56% | 0.556 | S | S | . | * | P | Polyproline II helix | trans | -49.8 | 142.2 | -180 | 165.2 | 0 | 0 | 0 | 0 | 112.4 | F1068 A1069 | S1066-F1068 PolarHBondContact O-N 3.02Å; S1066-F1068 PolarHBondContact OG-N 2.87Å; S1066-F1068 VanDerWaalsContact OG-N 3.14Å; S1066-A1069 PolarHBondContact O-N 3.34Å |
| 1067 | P | 35.6 | Very low | 34 | Very low | 69 Ų | 69 | 94.3 Ų | 94.3 | 45% | 0.448 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -51.2 | -39 | 171 | -25.3 | 34.6 | 0 | 0 | 0 | 112.5 | A1069 K1070 I1071 | P1067-A1069 VanDerWaalsContact C-N 3.32Å; P1067-A1069 PolarHBondContact O-N 3.39Å; P1067-K1070 WeakPolarHBondContact O-CB 3.43Å; P1067-K1070 PolarHBondContact O-N 2.93Å; P1067-I1071 WeakPolarHBondContact O-CG1 3.39Å; P1067-I1071 PolarHBondContact O-N 3.1Å |
| 1068 | F | 38.1 | Very low | 34.4 | Very low | 51 Ų | 51 | 93.6 Ų | 93.6 | 22% | 0.224 | 53% | 0.528 | C | S | . | . | H | α-helix | trans | -62.3 | -35.5 | 178.3 | -97.3 | -112.6 | 0 | 0 | 0 | 113 | Y655 S1066 K1070 I1071 R1072 | Y655-F1068 HydrophobicContact CD1-CD1 4.32Å; Y655-F1068 HydrophobicContact CD1-CD2 4.36Å; Y655-F1068 HydrophobicContact CD1-CE1 4.05Å; Y655-F1068 HydrophobicContact CD1-CE2 4.1Å; Y655-F1068 HydrophobicContact CD1-CG 4.48Å; Y655-F1068 AromaticContact CD1-CZ 3.94Å; Y655-F1068 HydrophobicContact CD1-CZ 3.94Å; Y655-F1068 HydrophobicContact CD2-CE1 4.37Å; Y655-F1068 HydrophobicContact CD2-CE2 4.13Å; Y655-F1068 AromaticContact CD2-CZ 3.7Å; Y655-F1068 HydrophobicContact CD2-CZ 3.7Å; Y655-F1068 HydrophobicContact CE1-CD1 4.41Å; Y655-F1068 AromaticContact CE1-CD2 3.67Å; Y655-F1068 HydrophobicContact CE1-CD2 3.67Å; Y655-F1068 HydrophobicContact CE1-CE1 4.27Å; Y655-F1068 AromaticContact CE1-CE2 3.52Å; Y655-F1068 HydrophobicContact CE1-CE2 3.52Å; Y655-F1068 HydrophobicContact CE1-CG 4.14Å; Y655-F1068 AromaticContact CE1-CZ 3.84Å; Y655-F1068 HydrophobicContact CE1-CZ 3.84Å; Y655-F1068 AromaticContact CE2-CE2 3.56Å; Y655-F1068 HydrophobicContact CE2-CE2 3.56Å; Y655-F1068 AromaticContact CE2-CZ 3.61Å; Y655-F1068 HydrophobicContact CE2-CZ 3.61Å; Y655-F1068 HydrophobicContact CG-CE1 4.09Å; Y655-F1068 HydrophobicContact CG-CE2 4.37Å; Y655-F1068 AromaticContact CG-CZ 3.86Å; Y655-F1068 HydrophobicContact CG-CZ 3.86Å; Y655-F1068 AromaticContact CZ-CD2 3.74Å; Y655-F1068 AromaticContact CZ-CE2 3.2Å; Y655-F1068 AromaticContact CZ-CZ 3.67Å; Y655-F1068 WeakPolarHBondContact OH-CE2 3.48Å; S1066-F1068 PolarHBondContact O-N 3.02Å; S1066-F1068 PolarHBondContact OG-N 2.87Å; S1066-F1068 VanDerWaalsContact OG-N 3.14Å; F1068-K1070 PolarHBondContact O-N 3.46Å; F1068-I1071 HydrophobicContact CD2-CD1 4.46Å; F1068-I1071 PolarHBondContact O-N 3.47Å; F1068-R1072 WeakPolarHBondContact O-CB 3.32Å; F1068-R1072 PolarHBondContact O-N 3.02Å |
| 1069 | A | 39.8 | Very low | 34.7 | Very low | 43 Ų | 43 | 88.7 Ų | 88.7 | 36% | 0.355 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -67.1 | -25.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113 | V1065 S1066 P1067 S1073 | V1065-A1069 HydrophobicContact CG1-CB 3.69Å; S1066-A1069 PolarHBondContact O-N 3.34Å; P1067-A1069 VanDerWaalsContact C-N 3.32Å; P1067-A1069 PolarHBondContact O-N 3.39Å; A1069-S1073 PolarHBondContact O-N 3.24Å |
| 1070 | K | 39.4 | Very low | 35 | Very low | 139 Ų | 139 | 88.6 Ų | 88.6 | 60% | 0.604 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -79.1 | -45.5 | 171.7 | -68.3 | 180 | 177.3 | 177.2 | 0 | 111.6 | P1067 F1068 R1072 S1073 S1074 | P1067-K1070 WeakPolarHBondContact O-CB 3.43Å; P1067-K1070 PolarHBondContact O-N 2.93Å; F1068-K1070 PolarHBondContact O-N 3.46Å; K1070-R1072 PolarHBondContact O-N 2.86Å; K1070-S1073 WeakPolarHBondContact O-CA 3.46Å; K1070-S1073 VanDerWaalsContact O-CB 3.29Å; K1070-S1073 WeakPolarHBondContact O-CB 3.31Å; K1070-S1073 PolarHBondContact O-N 2.93Å; K1070-S1074 PolarHBondContact O-N 3.2Å; K1070-S1074 PolarHBondContact O-OG 3.18Å |
| 1071 | I | 38.7 | Very low | 35.3 | Very low | 74 Ų | 74 | 87.3 Ų | 87.3 | 38% | 0.379 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.4 | -46.3 | 175.7 | -64.1 | 166 | 0 | 0 | 0 | 110.6 | P1067 F1068 S1073 S1074 M1075 | P1067-I1071 WeakPolarHBondContact O-CG1 3.39Å; P1067-I1071 PolarHBondContact O-N 3.1Å; F1068-I1071 HydrophobicContact CD2-CD1 4.46Å; F1068-I1071 PolarHBondContact O-N 3.47Å; I1071-S1073 PolarHBondContact O-N 3.26Å; I1071-S1074 PolarHBondContact O-N 2.85Å; I1071-S1074 VanDerWaalsContact O-N 3.1Å; I1071-M1075 HydrophobicContact CG2-CG 4.48Å; I1071-M1075 HydrophobicContact CG2-SD 4.07Å; I1071-M1075 PolarHBondContact O-N 3.49Å |
| 1072 | R | 38.6 | Very low | 36 | Very low | 60 Ų | 60 | 88.6 Ų | 88.6 | 23% | 0.226 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -57.9 | -31.4 | 172.4 | -178.5 | 177.3 | -104.3 | 142.3 | -4.8 | 112.5 | D640 F1068 K1070 V1076 | D640-R1072 IonicContact OD1-CZ 3.28Å; D640-R1072 IonicContact OD1-NH1 3.78Å; D640-R1072 PolarHBondContact OD1-NH1 2.95Å; D640-R1072 IonicContact OD1-NH2 2.66Å; D640-R1072 PolarHBondContact OD1-NH2 2.85Å; D640-R1072 IonicContact OD2-CZ 3.47Å; D640-R1072 IonicContact OD2-NH1 3.9Å; D640-R1072 PolarHBondContact OD2-NH1 2.8Å; D640-R1072 IonicContact OD2-NH2 2.73Å; D640-R1072 PolarHBondContact OD2-NH2 2.96Å; D640-R1072 VanDerWaalsContact OD2-NH2 3.09Å; F1068-R1072 WeakPolarHBondContact O-CB 3.32Å; F1068-R1072 PolarHBondContact O-N 3.02Å; K1070-R1072 PolarHBondContact O-N 2.86Å; R1072-V1076 WeakPolarHBondContact O-CB 3.36Å; R1072-V1076 WeakPolarHBondContact O-CG2 3.47Å; R1072-V1076 PolarHBondContact O-N 3.49Å |
| 1073 | S | 38.3 | Very low | 36.6 | Very low | 25 Ų | 25 | 87.2 Ų | 87.2 | 18% | 0.175 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -70.7 | -49.3 | 171.3 | -155.6 | 0 | 0 | 0 | 0 | 111.9 | R714 A1069 K1070 I1071 V1076 Q1077 | R714-S1073 PolarHBondContact NH1-OG 3.4Å; R714-S1073 VanDerWaalsContact NH2-CA 3.35Å; R714-S1073 PolarHBondContact NH2-OG 3.31Å; A1069-S1073 PolarHBondContact O-N 3.24Å; K1070-S1073 WeakPolarHBondContact O-CA 3.46Å; K1070-S1073 VanDerWaalsContact O-CB 3.29Å; K1070-S1073 WeakPolarHBondContact O-CB 3.31Å; K1070-S1073 PolarHBondContact O-N 2.93Å; I1071-S1073 PolarHBondContact O-N 3.26Å; S1073-V1076 PolarHBondContact O-N 3.38Å; S1073-Q1077 WeakPolarHBondContact O-CB 3.31Å; S1073-Q1077 WeakPolarHBondContact O-CG 3.16Å; S1073-Q1077 PolarHBondContact O-N 2.97Å; S1073-Q1077 PolarHBondContact O-OE1 2.8Å; S1073-Q1077 PolarHBondContact OG-OE1 2.98Å; S1073-Q1077 VanDerWaalsContact OG-OE1 3.07Å |
| 1074 | S | 38.8 | Very low | 37.1 | Very low | 63 Ų | 63 | 78.4 Ų | 78.4 | 44% | 0.441 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -65.8 | -44.7 | -175.3 | -58.3 | 0 | 0 | 0 | 0 | 112.3 | K1070 I1071 Q1077 V1078 | K1070-S1074 PolarHBondContact O-N 3.2Å; K1070-S1074 PolarHBondContact O-OG 3.18Å; I1071-S1074 PolarHBondContact O-N 2.85Å; I1071-S1074 VanDerWaalsContact O-N 3.1Å; S1074-Q1077 PolarHBondContact O-N 3.01Å; S1074-V1078 WeakPolarHBondContact O-CG2 3.33Å; S1074-V1078 PolarHBondContact O-N 2.83Å |
| 1075 | M | 36.8 | Very low | 37.5 | Very low | 75 Ų | 75 | 73.9 Ų | 73.9 | 37% | 0.369 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -64.2 | -42.4 | 177.5 | -77.4 | -178.9 | 160.7 | 0 | 0 | 112.2 | I1071 Q1077 V1078 A1079 | I1071-M1075 HydrophobicContact CG2-CG 4.48Å; I1071-M1075 HydrophobicContact CG2-SD 4.07Å; I1071-M1075 PolarHBondContact O-N 3.49Å; M1075-Q1077 VanDerWaalsContact C-N 3.32Å; M1075-Q1077 PolarHBondContact O-N 3.02Å; M1075-V1078 PolarHBondContact O-N 2.86Å; M1075-A1079 WeakPolarHBondContact O-CB 3.44Å; M1075-A1079 PolarHBondContact O-N 2.94Å |
| 1076 | V | 38.4 | Very low | 37.9 | Very low | 53 Ų | 53 | 75.2 Ų | 75.2 | 32% | 0.321 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -65.4 | -35.4 | 175.2 | 171.3 | 0 | 0 | 0 | 0 | 111.4 | R1072 S1073 N1080 | R1072-V1076 WeakPolarHBondContact O-CB 3.36Å; R1072-V1076 WeakPolarHBondContact O-CG2 3.47Å; R1072-V1076 PolarHBondContact O-N 3.49Å; S1073-V1076 PolarHBondContact O-N 3.38Å; V1076-N1080 WeakPolarHBondContact CG1-ND2 3.4Å; V1076-N1080 WeakPolarHBondContact O-CB 3.21Å; V1076-N1080 PolarHBondContact O-N 3.22Å; V1076-N1080 PolarHBondContact O-ND2 3.22Å |
| 1077 | Q | 35.1 | Very low | 38.2 | Very low | 120 Ų | 120 | 76.2 Ų | 76.2 | 56% | 0.561 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -69.3 | -40.1 | 174.3 | -75.6 | 175.4 | -104.4 | 0 | 0 | 112.7 | S1073 S1074 M1075 L1081 | S1073-Q1077 WeakPolarHBondContact O-CB 3.31Å; S1073-Q1077 WeakPolarHBondContact O-CG 3.16Å; S1073-Q1077 PolarHBondContact O-N 2.97Å; S1073-Q1077 PolarHBondContact O-OE1 2.8Å; S1073-Q1077 PolarHBondContact OG-OE1 2.98Å; S1073-Q1077 VanDerWaalsContact OG-OE1 3.07Å; S1074-Q1077 PolarHBondContact O-N 3.01Å; M1075-Q1077 VanDerWaalsContact C-N 3.32Å; M1075-Q1077 PolarHBondContact O-N 3.02Å; Q1077-L1081 WeakPolarHBondContact O-CB 3.31Å; Q1077-L1081 PolarHBondContact O-N 3.41Å |
| 1078 | V | 36.2 | Very low | 38.5 | Very low | 82 Ų | 82 | 80 Ų | 80 | 50% | 0.497 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -64.8 | -47.1 | 175.2 | 170.5 | 0 | 0 | 0 | 0 | 111 | S1074 M1075 N1080 L1081 T1082 | S1074-V1078 WeakPolarHBondContact O-CG2 3.33Å; S1074-V1078 PolarHBondContact O-N 2.83Å; M1075-V1078 PolarHBondContact O-N 2.86Å; V1078-N1080 PolarHBondContact O-N 2.68Å; V1078-L1081 PolarHBondContact O-N 2.76Å; V1078-L1081 VanDerWaalsContact O-N 3.13Å; V1078-T1082 PolarHBondContact O-N 3.04Å; V1078-T1082 PolarHBondContact O-OG1 3Å |
| 1079 | A | 35.6 | Very low | 38.6 | Very low | 50 Ų | 50 | 79.6 Ų | 79.6 | 41% | 0.413 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -62.3 | -42.2 | 179 | 0 | 0 | 0 | 0 | 0 | 112.8 | M1075 L1081 T1082 Q1083 | M1075-A1079 WeakPolarHBondContact O-CB 3.44Å; M1075-A1079 PolarHBondContact O-N 2.94Å; A1079-L1081 VanDerWaalsContact C-N 3.31Å; A1079-L1081 PolarHBondContact O-N 3.03Å; A1079-T1082 PolarHBondContact O-OG1 2.94Å; A1079-T1082 VanDerWaalsContact O-OG1 3.11Å; A1079-Q1083 WeakPolarHBondContact O-CB 3.24Å; A1079-Q1083 PolarHBondContact O-N 3.03Å |
| 1080 | N | 36.5 | Very low | 38.7 | Very low | 94 Ų | 94 | 82.4 Ų | 82.4 | 50% | 0.503 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -66.6 | -32.4 | 174.3 | -82.9 | -79.4 | 0 | 0 | 0 | 112.4 | V1076 V1078 A1084 | V1076-N1080 WeakPolarHBondContact CG1-ND2 3.4Å; V1076-N1080 WeakPolarHBondContact O-CB 3.21Å; V1076-N1080 PolarHBondContact O-N 3.22Å; V1076-N1080 PolarHBondContact O-ND2 3.22Å; V1078-N1080 PolarHBondContact O-N 2.68Å; N1080-A1084 WeakPolarHBondContact O-CB 3.12Å; N1080-A1084 PolarHBondContact O-N 3.48Å |
| 1081 | L | 36.1 | Very low | 38.8 | Very low | 137 Ų | 137 | 80.7 Ų | 80.7 | 72% | 0.717 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -71.7 | -41.8 | 178.6 | -159.2 | 74 | 0 | 0 | 0 | 111.6 | Q1077 V1078 A1079 G1085 | Q1077-L1081 WeakPolarHBondContact O-CB 3.31Å; Q1077-L1081 PolarHBondContact O-N 3.41Å; V1078-L1081 PolarHBondContact O-N 2.76Å; V1078-L1081 VanDerWaalsContact O-N 3.13Å; A1079-L1081 VanDerWaalsContact C-N 3.31Å; A1079-L1081 PolarHBondContact O-N 3.03Å; L1081-G1085 PolarHBondContact O-N 3.4Å |
| 1082 | T | 39.6 | Very low | 39 | Very low | 91 Ų | 91 | 85.4 Ų | 85.4 | 56% | 0.558 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -70 | -40.5 | 174 | 51.8 | 0 | 0 | 0 | 0 | 111.9 | V1078 A1079 G1085 L1086 | V1078-T1082 PolarHBondContact O-N 3.04Å; V1078-T1082 PolarHBondContact O-OG1 3Å; A1079-T1082 PolarHBondContact O-OG1 2.94Å; A1079-T1082 VanDerWaalsContact O-OG1 3.11Å; T1082-G1085 PolarHBondContact O-N 2.94Å; T1082-L1086 VanDerWaalsContact O-CB 3.23Å; T1082-L1086 WeakPolarHBondContact O-CB 3.34Å; T1082-L1086 PolarHBondContact O-N 2.79Å |
| 1083 | Q | 39.4 | Very low | 39.1 | Very low | 91 Ų | 91 | 85 Ų | 85 | 43% | 0.425 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.1 | -45.8 | 176.2 | -168.6 | 176.8 | 9.3 | 0 | 0 | 111.6 | A1079 G1085 L1086 T1087 | A1079-Q1083 WeakPolarHBondContact O-CB 3.24Å; A1079-Q1083 PolarHBondContact O-N 3.03Å; Q1083-G1085 PolarHBondContact O-N 2.6Å; Q1083-L1086 PolarHBondContact O-N 2.98Å; Q1083-T1087 WeakPolarHBondContact O-CB 3.36Å; Q1083-T1087 PolarHBondContact O-N 3.37Å; Q1083-T1087 PolarHBondContact O-OG1 3.26Å |
| 1084 | A | 41.1 | Very low | 39.3 | Very low | 54 Ų | 54 | 87.1 Ų | 87.1 | 45% | 0.446 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63 | -41.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | N1080 Q1088 | N1080-A1084 WeakPolarHBondContact O-CB 3.12Å; N1080-A1084 PolarHBondContact O-N 3.48Å; A1084-Q1088 WeakPolarHBondContact O-CB 3.45Å; A1084-Q1088 WeakPolarHBondContact O-CG 3.37Å; A1084-Q1088 PolarHBondContact O-N 2.83Å |
| 1085 | G | 39.8 | Very low | 39.5 | Very low | 43 Ų | 43 | 86.8 Ų | 86.8 | 44% | 0.443 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.7 | -43.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113 | L1081 T1082 Q1083 Q1088 G1089 | L1081-G1085 PolarHBondContact O-N 3.4Å; T1082-G1085 PolarHBondContact O-N 2.94Å; Q1083-G1085 PolarHBondContact O-N 2.6Å; G1085-Q1088 PolarHBondContact O-N 3.1Å; G1085-G1089 PolarHBondContact O-N 3.21Å |
| 1086 | L | 40 | Very low | 39.7 | Very low | 117 Ų | 117 | 89.9 Ų | 89.9 | 61% | 0.613 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -67.5 | -44.4 | 178.3 | -168.9 | 72.7 | 0 | 0 | 0 | 111.4 | T1082 Q1083 G1089 L1090 | T1082-L1086 VanDerWaalsContact O-CB 3.23Å; T1082-L1086 WeakPolarHBondContact O-CB 3.34Å; T1082-L1086 PolarHBondContact O-N 2.79Å; Q1083-L1086 PolarHBondContact O-N 2.98Å; L1086-G1089 PolarHBondContact O-N 3.4Å; L1086-L1090 HydrophobicContact CG-CD1 4.16Å; L1086-L1090 WeakPolarHBondContact O-CB 3.37Å; L1086-L1090 WeakPolarHBondContact O-CG 3.42Å; L1086-L1090 PolarHBondContact O-N 2.93Å |
| 1087 | T | 40.7 | Very low | 39.9 | Very low | 70 Ų | 70 | 92.6 Ų | 92.6 | 43% | 0.429 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.5 | -36.3 | 176.8 | -57 | 0 | 0 | 0 | 0 | 111.9 | Q1083 N1091 | Q1083-T1087 WeakPolarHBondContact O-CB 3.36Å; Q1083-T1087 PolarHBondContact O-N 3.37Å; Q1083-T1087 PolarHBondContact O-OG1 3.26Å; T1087-N1091 WeakPolarHBondContact CG2-ND2 3.42Å; T1087-N1091 WeakPolarHBondContact O-CB 3.37Å; T1087-N1091 PolarHBondContact O-N 3.12Å; T1087-N1091 VanDerWaalsContact O-N 3.07Å; T1087-N1091 PolarHBondContact O-ND2 2.97Å |
| 1088 | Q | 42.4 | Very low | 40.2 | Very low | 149 Ų | 149 | 94.2 Ų | 94.2 | 70% | 0.696 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -68.6 | -40.8 | 170.6 | -76.1 | -172 | -4.7 | 0 | 0 | 112.1 | A1084 G1085 N1091 Y1092 | A1084-Q1088 WeakPolarHBondContact O-CB 3.45Å; A1084-Q1088 WeakPolarHBondContact O-CG 3.37Å; A1084-Q1088 PolarHBondContact O-N 2.83Å; G1085-Q1088 PolarHBondContact O-N 3.1Å; Q1088-N1091 PolarHBondContact O-N 2.88Å; Q1088-Y1092 WeakPolarHBondContact O-CB 3.35Å; Q1088-Y1092 PolarHBondContact O-N 2.94Å |
| 1089 | G | 39.1 | Very low | 40.6 | Very low | 41 Ų | 41 | 99 Ų | 99 | 42% | 0.423 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -61.1 | -46.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | G1085 L1086 Y1092 A1093 | G1085-G1089 PolarHBondContact O-N 3.21Å; L1086-G1089 PolarHBondContact O-N 3.4Å; G1089-Y1092 PolarHBondContact O-N 2.82Å; G1089-A1093 WeakPolarHBondContact O-CB 3.39Å; G1089-A1093 PolarHBondContact O-N 3.01Å |
| 1090 | L | 41.7 | Very low | 40.9 | Very low | 103 Ų | 103 | 100.7 Ų | 100.7 | 54% | 0.539 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -63.6 | -48.7 | 176 | -79.1 | 165 | 0 | 0 | 0 | 111.8 | L1086 Y1092 A1093 V1094 | L1086-L1090 HydrophobicContact CG-CD1 4.16Å; L1086-L1090 WeakPolarHBondContact O-CB 3.37Å; L1086-L1090 WeakPolarHBondContact O-CG 3.42Å; L1086-L1090 PolarHBondContact O-N 2.93Å; L1090-Y1092 VanDerWaalsContact C-N 3.31Å; L1090-Y1092 PolarHBondContact O-N 2.74Å; L1090-A1093 PolarHBondContact O-N 3.29Å; L1090-V1094 WeakPolarHBondContact O-CB 3.48Å; L1090-V1094 WeakPolarHBondContact O-CG2 3.29Å; L1090-V1094 PolarHBondContact O-N 2.84Å |
| 1091 | N | 41.8 | Very low | 41 | Very low | 103 Ų | 103 | 102 Ų | 102 | 55% | 0.551 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -63.3 | -36.8 | 177.7 | -77.5 | -52.5 | 0 | 0 | 0 | 112.3 | T1087 Q1088 A1095 | T1087-N1091 WeakPolarHBondContact CG2-ND2 3.42Å; T1087-N1091 WeakPolarHBondContact O-CB 3.37Å; T1087-N1091 PolarHBondContact O-N 3.12Å; T1087-N1091 VanDerWaalsContact O-N 3.07Å; T1087-N1091 PolarHBondContact O-ND2 2.97Å; Q1088-N1091 PolarHBondContact O-N 2.88Å; N1091-A1095 WeakPolarHBondContact O-CB 3.45Å; N1091-A1095 PolarHBondContact O-N 3.41Å |
| 1092 | Y | 42.6 | Very low | 41.1 | Very low | 172 Ų | 172 | 102.9 Ų | 102.9 | 68% | 0.675 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -69 | -37.6 | 175.1 | -173.7 | -106.5 | 0 | 0 | 0 | 112.4 | Q1088 G1089 L1090 K1096 | Q1088-Y1092 WeakPolarHBondContact O-CB 3.35Å; Q1088-Y1092 PolarHBondContact O-N 2.94Å; G1089-Y1092 PolarHBondContact O-N 2.82Å; L1090-Y1092 VanDerWaalsContact C-N 3.31Å; L1090-Y1092 PolarHBondContact O-N 2.74Å; Y1092-K1096 WeakPolarHBondContact O-CB 3.37Å; Y1092-K1096 PolarHBondContact O-N 3.43Å |
| 1093 | A | 41.2 | Very low | 41.5 | Very low | 51 Ų | 51 | 104.2 Ų | 104.2 | 42% | 0.421 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -66.2 | -50.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | G1089 L1090 A1095 K1096 V1097 | G1089-A1093 WeakPolarHBondContact O-CB 3.39Å; G1089-A1093 PolarHBondContact O-N 3.01Å; L1090-A1093 PolarHBondContact O-N 3.29Å; A1093-A1095 PolarHBondContact O-N 2.61Å; A1093-K1096 PolarHBondContact O-N 2.94Å; A1093-V1097 WeakPolarHBondContact O-CG2 3.38Å; A1093-V1097 PolarHBondContact O-N 2.89Å |
| 1094 | V | 43 | Very low | 41.9 | Very low | 71 Ų | 71 | 107 Ų | 107 | 43% | 0.43 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -59.6 | -46.3 | 178 | 171.8 | 0 | 0 | 0 | 0 | 111.1 | L1090 K1096 V1097 Q1098 | L1090-V1094 WeakPolarHBondContact O-CB 3.48Å; L1090-V1094 WeakPolarHBondContact O-CG2 3.29Å; L1090-V1094 PolarHBondContact O-N 2.84Å; V1094-K1096 PolarHBondContact O-N 2.87Å; V1094-K1096 VanDerWaalsContact O-N 3.16Å; V1094-V1097 PolarHBondContact O-N 2.77Å; V1094-Q1098 HydrophobicContact CG1-CG 4.34Å; V1094-Q1098 WeakPolarHBondContact O-CB 3.48Å; V1094-Q1098 WeakPolarHBondContact O-CG 3.17Å; V1094-Q1098 PolarHBondContact O-N 2.94Å |
| 1095 | A | 41.8 | Very low | 42.4 | Very low | 56 Ų | 56 | 110.9 Ų | 110.9 | 46% | 0.463 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -66.3 | -14.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | N1091 A1093 | N1091-A1095 WeakPolarHBondContact O-CB 3.45Å; N1091-A1095 PolarHBondContact O-N 3.41Å; A1093-A1095 PolarHBondContact O-N 2.61Å |
| 1096 | K | 41.3 | Very low | 42.6 | Very low | 140 Ų | 140 | 114.2 Ų | 114.2 | 61% | 0.609 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -94.6 | -34.9 | 174.2 | -154.7 | -176.4 | -175.6 | -162.9 | 0 | 112.3 | Y1092 A1093 V1094 K1099 | Y1092-K1096 WeakPolarHBondContact O-CB 3.37Å; Y1092-K1096 PolarHBondContact O-N 3.43Å; A1093-K1096 PolarHBondContact O-N 2.94Å; V1094-K1096 PolarHBondContact O-N 2.87Å; V1094-K1096 VanDerWaalsContact O-N 3.16Å; K1096-K1099 PolarHBondContact O-N 2.97Å |
| 1097 | V | 42.1 | Very low | 43.2 | Very low | 110 Ų | 110 | 112.3 Ų | 112.3 | 67% | 0.667 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -69 | -37 | 172.7 | 173.1 | 0 | 0 | 0 | 0 | 111.2 | A1093 V1094 K1099 S1100 | A1093-V1097 WeakPolarHBondContact O-CG2 3.38Å; A1093-V1097 PolarHBondContact O-N 2.89Å; V1094-V1097 PolarHBondContact O-N 2.77Å; V1097-K1099 PolarHBondContact O-N 3.41Å; V1097-S1100 PolarHBondContact O-OG 3.21Å |
| 1098 | Q | 43.3 | Very low | 43.5 | Very low | 153 Ų | 153 | 117.2 Ų | 117.2 | 72% | 0.715 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72 | 16.7 | 173.7 | -68.7 | 178.6 | -19.3 | 0 | 0 | 114.3 | V1094 | V1094-Q1098 HydrophobicContact CG1-CG 4.34Å; V1094-Q1098 WeakPolarHBondContact O-CB 3.48Å; V1094-Q1098 WeakPolarHBondContact O-CG 3.17Å; V1094-Q1098 PolarHBondContact O-N 2.94Å |
| 1099 | K | 44.6 | Very low | 43.7 | Very low | 183 Ų | 183 | 113 Ų | 113 | 80% | 0.796 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.3 | 17.2 | -177.1 | -83.6 | -168.5 | 171.7 | -176.8 | 0 | 115.3 | K1096 V1097 | K1096-K1099 PolarHBondContact O-N 2.97Å; V1097-K1099 PolarHBondContact O-N 3.41Å |
| 1100 | S | 40 | Very low | 44 | Very low | 86 Ų | 86 | 116.3 Ų | 116.3 | 60% | 0.601 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -101.2 | 144.1 | 162 | 47.5 | 0 | 0 | 0 | 0 | 110.7 | V1097 | V1097-S1100 PolarHBondContact O-OG 3.21Š|
| 1101 | P | 39.1 | Very low | 44.3 | Very low | 122 Ų | 122 | 116.1 Ų | 116.1 | 79% | 0.792 | 64% | 0.641 | S | S | * | * | trans | -73 | 177 | 175.1 | 33.2 | -36.5 | 0 | 0 | 0 | 112.6 | ||||
| 1102 | D | 37.8 | Very low | 44.6 | Very low | 155 Ų | 155 | 114.5 Ų | 114.5 | 83% | 0.829 | 64% | 0.638 | S | S | * | * | trans | -56.7 | 154.1 | -173.5 | -70 | -68.5 | 0 | 0 | 0 | 115.5 | D1104 | D1102-D1104 PolarHBondContact O-N 3.38Š| ||
| 1103 | P | 48.3 | Very low | 44.9 | Very low | 119 Ų | 119 | 111.3 Ų | 111.3 | 77% | 0.773 | 63% | 0.633 | S | S | * | * | trans | -87 | 103.5 | -167.3 | 33.5 | -34.8 | 0 | 0 | 0 | 113.3 | ||||
| 1104 | D | 47.4 | Very low | 45.2 | Very low | 150 Ų | 150 | 113.9 Ų | 113.9 | 80% | 0.802 | 64% | 0.639 | S | S | * | * | trans | -152.7 | 146 | 150.1 | -113.3 | -37.2 | 0 | 0 | 0 | 111.6 | D1102 | D1102-D1104 PolarHBondContact O-N 3.38Š| ||
| 1105 | T | 51.8 | Low | 45.6 | Very low | 135 Ų | 135 | 116.4 Ų | 116.4 | 83% | 0.828 | 64% | 0.644 | S | S | * | * | trans | 58.2 | 76.4 | -179.8 | 62.1 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1106 | V | 44.3 | Very low | 46 | Very low | 112 Ų | 112 | 116.5 Ų | 116.5 | 68% | 0.679 | 65% | 0.645 | S | S | * | * | trans | -93.4 | 134.1 | 159.2 | 179.5 | 0 | 0 | 0 | 0 | 109 | Q1110 | V1106-Q1110 HydrophobicContact CG1-CB 3.96Š| ||
| 1107 | S | 52.3 | Low | 46.1 | Very low | 77 Ų | 77 | 114.5 Ų | 114.5 | 54% | 0.538 | 64% | 0.639 | S | S | . | * | trans | -90.8 | 147.2 | 177.9 | -176.8 | 0 | 0 | 0 | 0 | 111.4 | A1109 Q1110 | S1107-A1109 PolarHBondContact O-N 3.28Å; S1107-Q1110 WeakPolarHBondContact O-CB 3.49Å; S1107-Q1110 PolarHBondContact O-N 2.88Å | ||
| 1108 | E | 47.8 | Very low | 46.4 | Very low | 173 Ų | 173 | 116.9 Ų | 116.9 | 81% | 0.808 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -50.2 | -34.4 | -177.9 | -63.4 | -179.4 | 125 | 0 | 0 | 113.5 | Q1110 E1111 S1112 | E1108-Q1110 VanDerWaalsContact C-N 3.29Å; E1108-Q1110 PolarHBondContact O-N 2.96Å; E1108-E1111 WeakPolarHBondContact O-CB 3.44Å; E1108-E1111 PolarHBondContact O-N 2.89Å; E1108-E1111 VanDerWaalsContact O-N 3.1Å; E1108-S1112 PolarHBondContact O-N 3.22Å |
| 1109 | A | 46.5 | Very low | 46.7 | Very low | 62 Ų | 62 | 113.3 Ų | 113.3 | 51% | 0.512 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -62.7 | -30.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | S1107 S1112 D1113 | S1107-A1109 PolarHBondContact O-N 3.28Å; A1109-S1112 PolarHBondContact O-OG 3.42Å; A1109-D1113 PolarHBondContact O-N 2.85Å |
| 1110 | Q | 46 | Very low | 46.5 | Very low | 109 Ų | 109 | 110.7 Ų | 110.7 | 51% | 0.509 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -76.4 | -27.8 | 175.3 | -67.6 | 177.5 | -53.5 | 0 | 0 | 111.5 | V1106 S1107 E1108 L1114 | V1106-Q1110 HydrophobicContact CG1-CB 3.96Å; S1107-Q1110 WeakPolarHBondContact O-CB 3.49Å; S1107-Q1110 PolarHBondContact O-N 2.88Å; E1108-Q1110 VanDerWaalsContact C-N 3.29Å; E1108-Q1110 PolarHBondContact O-N 2.96Å; Q1110-L1114 WeakPolarHBondContact O-CB 3.49Å; Q1110-L1114 WeakPolarHBondContact O-CG 3.5Å; Q1110-L1114 PolarHBondContact O-N 3.29Å |
| 1111 | E | 46.6 | Very low | 46.5 | Very low | 99 Ų | 99 | 110.2 Ų | 110.2 | 46% | 0.463 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -71.8 | -36.2 | 176 | -150.9 | -159.6 | 132 | 0 | 0 | 111.8 | E1108 L1114 K1115 | E1108-E1111 WeakPolarHBondContact O-CB 3.44Å; E1108-E1111 PolarHBondContact O-N 2.89Å; E1108-E1111 VanDerWaalsContact O-N 3.1Å; E1111-L1114 PolarHBondContact O-N 3.18Å; E1111-K1115 WeakPolarHBondContact O-CB 3.22Å; E1111-K1115 PolarHBondContact O-N 2.8Å; E1111-K1115 WeakPolarHBondContact OE1-CE 3.3Å; E1111-K1115 IonicContact OE1-NZ 2.91Å; E1111-K1115 PolarHBondContact OE1-NZ 3.24Å |
| 1112 | S | 47.8 | Very low | 46.5 | Very low | 69 Ų | 69 | 109.5 Ų | 109.5 | 48% | 0.483 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -65.6 | -40.6 | 172.9 | 50.4 | 0 | 0 | 0 | 0 | 112.7 | E1108 A1109 K1115 A1116 | E1108-S1112 PolarHBondContact O-N 3.22Å; A1109-S1112 PolarHBondContact O-OG 3.42Å; S1112-K1115 PolarHBondContact O-N 2.95Å; S1112-A1116 WeakPolarHBondContact O-CB 3.34Å; S1112-A1116 PolarHBondContact O-N 3.46Å |
| 1113 | D | 49.5 | Very low | 46.6 | Very low | 106 Ų | 106 | 105.3 Ų | 105.3 | 57% | 0.567 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -67.9 | -37.3 | 176.5 | -81.9 | -0.6 | 0 | 0 | 0 | 112.3 | A1109 A1116 M1117 | A1109-D1113 PolarHBondContact O-N 2.85Å; D1113-A1116 PolarHBondContact O-N 2.89Å; D1113-M1117 PolarHBondContact O-N 3.33Å |
| 1114 | L | 48.6 | Very low | 46 | Very low | 105 Ų | 105 | 107.6 Ų | 107.6 | 55% | 0.55 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -65.3 | -43.6 | 173 | -79.7 | 165 | 0 | 0 | 0 | 111.8 | Q1110 E1111 M1117 F1118 | Q1110-L1114 WeakPolarHBondContact O-CB 3.49Å; Q1110-L1114 WeakPolarHBondContact O-CG 3.5Å; Q1110-L1114 PolarHBondContact O-N 3.29Å; E1111-L1114 PolarHBondContact O-N 3.18Å; L1114-M1117 HydrophobicContact CD2-CE 4.29Å; L1114-M1117 PolarHBondContact O-N 3.39Å; L1114-F1118 WeakPolarHBondContact O-CB 3.45Å; L1114-F1118 PolarHBondContact O-N 3.09Å |
| 1115 | K | 50.1 | Low | 45.7 | Very low | 123 Ų | 123 | 106.5 Ų | 106.5 | 54% | 0.535 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -61 | -45.3 | 172.8 | -84.2 | 166.5 | 171.1 | 159 | 0 | 111.7 | E1111 S1112 M1117 F1118 T1119 | E1111-K1115 WeakPolarHBondContact O-CB 3.22Å; E1111-K1115 PolarHBondContact O-N 2.8Å; E1111-K1115 WeakPolarHBondContact OE1-CE 3.3Å; E1111-K1115 IonicContact OE1-NZ 2.91Å; E1111-K1115 PolarHBondContact OE1-NZ 3.24Å; S1112-K1115 PolarHBondContact O-N 2.95Å; K1115-M1117 PolarHBondContact O-N 2.93Å; K1115-F1118 PolarHBondContact O-N 2.87Å; K1115-F1118 VanDerWaalsContact O-N 3.13Å; K1115-T1119 PolarHBondContact O-N 3.3Å; K1115-T1119 PolarHBondContact O-OG1 2.81Å |
| 1116 | A | 51 | Low | 45 | Very low | 59 Ų | 59 | 106.4 Ų | 106.4 | 49% | 0.488 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -60.9 | -44 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | S1112 D1113 Q1120 | S1112-A1116 WeakPolarHBondContact O-CB 3.34Å; S1112-A1116 PolarHBondContact O-N 3.46Å; D1113-A1116 PolarHBondContact O-N 2.89Å; A1116-Q1120 WeakPolarHBondContact O-CB 3.11Å; A1116-Q1120 PolarHBondContact O-N 2.93Å |
| 1117 | M | 43.9 | Very low | 44.6 | Very low | 97 Ų | 97 | 108.2 Ų | 108.2 | 48% | 0.478 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -62.3 | -40.1 | 171.9 | -89.6 | -166.8 | -74.7 | 0 | 0 | 112.5 | D1113 L1114 K1115 Q1120 C1121 | D1113-M1117 PolarHBondContact O-N 3.33Å; L1114-M1117 HydrophobicContact CD2-CE 4.29Å; L1114-M1117 PolarHBondContact O-N 3.39Å; K1115-M1117 PolarHBondContact O-N 2.93Å; M1117-Q1120 PolarHBondContact O-N 2.88Å; M1117-C1121 WeakPolarHBondContact O-CB 3.26Å; M1117-C1121 PolarHBondContact O-N 3.33Å; M1117-C1121 PolarHBondContact O-SG 3.33Å |
| 1118 | F | 47.3 | Very low | 43.7 | Very low | 160 Ų | 160 | 114 Ų | 114 | 70% | 0.702 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -65.6 | -45.9 | -180 | -153.7 | -85.9 | 0 | 0 | 0 | 111.4 | L1114 K1115 Q1120 C1121 Q1122 | L1114-F1118 WeakPolarHBondContact O-CB 3.45Å; L1114-F1118 PolarHBondContact O-N 3.09Å; K1115-F1118 PolarHBondContact O-N 2.87Å; K1115-F1118 VanDerWaalsContact O-N 3.13Å; F1118-Q1120 VanDerWaalsContact C-N 3.34Å; F1118-Q1120 PolarHBondContact O-N 3.35Å; F1118-C1121 PolarHBondContact O-N 2.89Å; F1118-Q1122 WeakPolarHBondContact O-CB 3.41Å; F1118-Q1122 PolarHBondContact O-N 3.03Å |
| 1119 | T | 50.3 | Low | 43.5 | Very low | 79 Ų | 79 | 111.1 Ų | 111.1 | 49% | 0.485 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -61.3 | -41.2 | 172.8 | -53.4 | 0 | 0 | 0 | 0 | 111.4 | K1115 C1121 Q1122 T1123 | K1115-T1119 PolarHBondContact O-N 3.3Å; K1115-T1119 PolarHBondContact O-OG1 2.81Å; T1119-C1121 PolarHBondContact O-N 2.75Å; T1119-Q1122 PolarHBondContact O-N 2.72Å; T1119-T1123 PolarHBondContact O-N 3.43Å; T1119-T1123 PolarHBondContact O-OG1 2.72Å |
| 1120 | Q | 40.8 | Very low | 43.4 | Very low | 128 Ų | 128 | 113.6 Ų | 113.6 | 60% | 0.598 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -65.9 | -37.4 | 177.7 | -169 | 177.5 | 57 | 0 | 0 | 112.7 | A1116 M1117 F1118 R1124 | A1116-Q1120 WeakPolarHBondContact O-CB 3.11Å; A1116-Q1120 PolarHBondContact O-N 2.93Å; M1117-Q1120 PolarHBondContact O-N 2.88Å; F1118-Q1120 VanDerWaalsContact C-N 3.34Å; F1118-Q1120 PolarHBondContact O-N 3.35Å; Q1120-R1124 PolarHBondContact O-N 3.04Å; Q1120-R1124 VanDerWaalsContact O-N 3.08Å |
| 1121 | C | 38.8 | Very low | 43.2 | Very low | 76 Ų | 76 | 113.9 Ų | 113.9 | 51% | 0.514 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -65.1 | -45.5 | 170.9 | -78.1 | 0 | 0 | 0 | 0 | 111.5 | M1117 F1118 T1119 T1123 R1124 I1125 | M1117-C1121 WeakPolarHBondContact O-CB 3.26Å; M1117-C1121 PolarHBondContact O-N 3.33Å; M1117-C1121 PolarHBondContact O-SG 3.33Å; F1118-C1121 PolarHBondContact O-N 2.89Å; T1119-C1121 PolarHBondContact O-N 2.75Å; C1121-T1123 PolarHBondContact O-N 3.12Å; C1121-R1124 PolarHBondContact O-N 2.89Å; C1121-R1124 VanDerWaalsContact O-N 3.14Å; C1121-I1125 WeakPolarHBondContact O-CG1 3.31Å; C1121-I1125 PolarHBondContact O-N 3.12Å |
| 1122 | Q | 39.7 | Very low | 43 | Very low | 106 Ų | 106 | 114.8 Ų | 114.8 | 50% | 0.495 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -59.7 | -44.8 | 176.4 | -171.5 | 179.7 | 11.5 | 0 | 0 | 111.6 | F1118 T1119 R1124 I1125 I1126 | F1118-Q1122 WeakPolarHBondContact O-CB 3.41Å; F1118-Q1122 PolarHBondContact O-N 3.03Å; T1119-Q1122 PolarHBondContact O-N 2.72Å; Q1122-R1124 VanDerWaalsContact C-N 3.3Å; Q1122-R1124 PolarHBondContact O-N 2.81Å; Q1122-I1125 PolarHBondContact O-N 2.74Å; Q1122-I1126 HydrophobicContact CG-CD1 4.1Å; Q1122-I1126 WeakPolarHBondContact O-CD1 3.44Å; Q1122-I1126 WeakPolarHBondContact O-CG1 3.44Å; Q1122-I1126 PolarHBondContact O-N 2.83Å |
| 1123 | T | 40.3 | Very low | 42.7 | Very low | 67 Ų | 67 | 117.6 Ų | 117.6 | 41% | 0.411 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -61.3 | -37.2 | 174.6 | -53.5 | 0 | 0 | 0 | 0 | 112 | T1119 C1121 I1126 Q1127 | T1119-T1123 PolarHBondContact O-N 3.43Å; T1119-T1123 PolarHBondContact O-OG1 2.72Å; C1121-T1123 PolarHBondContact O-N 3.12Å; T1123-I1126 PolarHBondContact O-N 2.74Å; T1123-Q1127 VanDerWaalsContact O-CG 3.31Å; T1123-Q1127 WeakPolarHBondContact O-CG 3.5Å; T1123-Q1127 PolarHBondContact O-N 2.78Å |
| 1124 | R | 36.2 | Very low | 42.3 | Very low | 168 Ų | 168 | 118.4 Ų | 118.4 | 63% | 0.634 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -70.9 | -36.2 | 174.8 | -98.3 | -178.2 | 168 | 164 | -2.1 | 113.6 | Q1120 C1121 Q1122 I1126 Q1127 I1128 | Q1120-R1124 PolarHBondContact O-N 3.04Å; Q1120-R1124 VanDerWaalsContact O-N 3.08Å; C1121-R1124 PolarHBondContact O-N 2.89Å; C1121-R1124 VanDerWaalsContact O-N 3.14Å; Q1122-R1124 VanDerWaalsContact C-N 3.3Å; Q1122-R1124 PolarHBondContact O-N 2.81Å; R1124-I1126 PolarHBondContact O-N 2.76Å; R1124-Q1127 PolarHBondContact O-N 2.84Å; R1124-Q1127 VanDerWaalsContact O-N 3.1Å; R1124-I1128 WeakPolarHBondContact O-CD1 3.46Å; R1124-I1128 WeakPolarHBondContact O-CG1 3.45Å; R1124-I1128 PolarHBondContact O-N 3.38Å |
| 1125 | I | 39.8 | Very low | 41.8 | Very low | 126 Ų | 126 | 119.4 Ų | 119.4 | 65% | 0.646 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -68.5 | -27.3 | 176.1 | -69.2 | 163.5 | 0 | 0 | 0 | 111.1 | C1121 Q1122 Q1127 | C1121-I1125 WeakPolarHBondContact O-CG1 3.31Å; C1121-I1125 PolarHBondContact O-N 3.12Å; Q1122-I1125 PolarHBondContact O-N 2.74Å; I1125-Q1127 VanDerWaalsContact C-N 3.31Å |
| 1126 | I | 38.2 | Very low | 41.2 | Very low | 134 Ų | 134 | 119.1 Ų | 119.1 | 69% | 0.687 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.9 | -10 | 172.7 | -65.8 | 164.6 | 0 | 0 | 0 | 112.3 | Q1122 T1123 R1124 | Q1122-I1126 HydrophobicContact CG-CD1 4.1Å; Q1122-I1126 WeakPolarHBondContact O-CD1 3.44Å; Q1122-I1126 WeakPolarHBondContact O-CG1 3.44Å; Q1122-I1126 PolarHBondContact O-N 2.83Å; T1123-I1126 PolarHBondContact O-N 2.74Å; R1124-I1126 PolarHBondContact O-N 2.76Å |
| 1127 | Q | 34.9 | Very low | 40.4 | Very low | 149 Ų | 149 | 124.1 Ų | 124.1 | 70% | 0.696 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.1 | 2.9 | 179.9 | -77.2 | 179.7 | -14.1 | 0 | 0 | 114.3 | T1123 R1124 I1125 | T1123-Q1127 VanDerWaalsContact O-CG 3.31Å; T1123-Q1127 WeakPolarHBondContact O-CG 3.5Å; T1123-Q1127 PolarHBondContact O-N 2.78Å; R1124-Q1127 PolarHBondContact O-N 2.84Å; R1124-Q1127 VanDerWaalsContact O-N 3.1Å; I1125-Q1127 VanDerWaalsContact C-N 3.31Å |
| 1128 | I | 34.3 | Very low | 40 | Very low | 199 Ų | 199 | 126.5 Ų | 126.5 | 100% | 1.021 | 63% | 0.626 | S | S | * | * | trans | -117.2 | 0 | -176.7 | -69.3 | 170 | 0 | 0 | 0 | 109.5 | R1124 | R1124-I1128 WeakPolarHBondContact O-CD1 3.46Å; R1124-I1128 WeakPolarHBondContact O-CG1 3.45Å; R1124-I1128 PolarHBondContact O-N 3.38Å |
Retrieved 1,128 of 1,128 residues in 868.5 ms
(Link to these results)