| 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 | 46.6 | Very low | 78.9 | Confident | 216 Ų | 216 | 86.4 Ų | 86.4 | 100% | 1.064 | 49% | 0.494 | S | S | * | . | 0 | -174 | 0 | -104.4 | 163.4 | 166.9 | 0 | 0 | 107.6 | E3 | M1-E3 HydrophobicContact CB-CG 4.5Å; M1-E3 PolarHBondContact N-OE1 3.06Å; M1-E3 PolarHBondContact O-N 3.38Å | |||
| 2 | E | 61.5 | Low | 80.1 | Confident | 50 Ų | 50 | 85.1 Ų | 85.1 | 23% | 0.234 | 48% | 0.48 | C | S | . | . | trans | -81.3 | 67.7 | 172.9 | -157.6 | 158.5 | 141 | 0 | 0 | 110.4 | G4 L5 M56 W323 | E2-G4 PolarHBondContact O-N 3.27Å; E2-L5 HydrophobicContact CG-CB 4.3Å; E2-L5 HydrophobicContact CG-CD1 4.15Å; E2-L5 PolarHBondContact O-N 3.46Å; E2-L5 VanDerWaalsContact O-N 3.16Å; E2-L5 VanDerWaalsContact OE1-CD1 3.32Å; E2-L5 WeakPolarHBondContact OE1-CD1 3.36Å; E2-M56 VanDerWaalsContact CD-CE 3.47Å; E2-M56 HydrophobicContact CG-CE 3.87Å; E2-M56 WeakPolarHBondContact OE2-CE 3.41Å; E2-W323 WeakPolarHBondContact OE1-CZ3 3.16Å | ||
| 3 | E | 65.6 | Low | 81.3 | Confident | 143 Ų | 143 | 78.8 Ų | 78.8 | 67% | 0.668 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | 120.7 | -169.2 | -76.3 | 148.6 | -130.2 | 0 | 0 | 111.5 | M1 R35 | M1-E3 HydrophobicContact CB-CG 4.5Å; M1-E3 PolarHBondContact N-OE1 3.06Å; M1-E3 PolarHBondContact O-N 3.38Å; E3-R35 PolarHBondContact O-NH1 3.1Å |
| 4 | G | 81.5 | Confident | 82.4 | Confident | 84 Ų | 84 | 77.4 Ų | 77.4 | 87% | 0.866 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 101.5 | -14.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | E2 | E2-G4 PolarHBondContact O-N 3.27Š|
| 5 | L | 83.2 | Confident | 83.5 | Confident | 43 Ų | 43 | 73.9 Ų | 73.9 | 23% | 0.225 | 42% | 0.419 | C | S | . | . | S | Bend | trans | -106.8 | 149.3 | -179.2 | -71 | 174.8 | 0 | 0 | 0 | 113.2 | E2 F9 W323 | E2-L5 HydrophobicContact CG-CB 4.3Å; E2-L5 HydrophobicContact CG-CD1 4.15Å; E2-L5 PolarHBondContact O-N 3.46Å; E2-L5 VanDerWaalsContact O-N 3.16Å; E2-L5 VanDerWaalsContact OE1-CD1 3.32Å; E2-L5 WeakPolarHBondContact OE1-CD1 3.36Å; L5-F9 HydrophobicContact CB-CB 4.29Å; L5-W323 HydrophobicContact CD1-CD2 3.87Å; L5-W323 HydrophobicContact CD1-CE3 3.73Å; L5-W323 HydrophobicContact CD1-CG 4.22Å; L5-W323 HydrophobicContact CD1-CZ3 4.28Å |
| 6 | P | 86.8 | Confident | 84.4 | Confident | 71 Ų | 71 | 73.9 Ų | 73.9 | 46% | 0.461 | 41% | 0.414 | S | S | . | . | trans | -66.3 | 151.8 | 179.9 | -17.6 | 30.7 | 0 | 0 | 0 | 112.6 | G8 F9 | P6-G8 PolarHBondContact O-N 3.26Å; P6-F9 HydrophobicContact CB-CD2 3.78Å; P6-F9 HydrophobicContact CB-CE2 4.01Å; P6-F9 HydrophobicContact CG-CD2 3.92Å; P6-F9 HydrophobicContact CG-CE2 3.93Å; P6-F9 WeakPolarHBondContact O-CB 3.44Å; P6-F9 PolarHBondContact O-N 3.19Å; P6-F9 VanDerWaalsContact O-N 3.15Å | ||
| 7 | P | 85.6 | Confident | 85.1 | Confident | 135 Ų | 135 | 70.8 Ų | 70.8 | 88% | 0.877 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | 140.4 | 173.2 | -26 | 35.2 | 0 | 0 | 0 | 112.4 | F9 | P7-F9 VanDerWaalsContact C-N 3.31Å; P7-F9 PolarHBondContact O-N 3.06Å |
| 8 | G | 86.7 | Confident | 85.8 | Confident | 30 Ų | 30 | 66.8 Ų | 66.8 | 31% | 0.309 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.9 | -24.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | P6 A325 F326 | P6-G8 PolarHBondContact O-N 3.26Å; G8-A325 WeakPolarHBondContact O-CA 3.44Å; G8-F326 PolarHBondContact O-N 3.07Å |
| 9 | F | 87.6 | Confident | 86.4 | Confident | 75 Ų | 75 | 63.3 Ų | 63.3 | 33% | 0.329 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 134.9 | 171.6 | -77.7 | -104.6 | 0 | 0 | 0 | 111 | L5 P6 P7 W323 R324 A325 | L5-F9 HydrophobicContact CB-CB 4.29Å; P6-F9 HydrophobicContact CB-CD2 3.78Å; P6-F9 HydrophobicContact CB-CE2 4.01Å; P6-F9 HydrophobicContact CG-CD2 3.92Å; P6-F9 HydrophobicContact CG-CE2 3.93Å; P6-F9 WeakPolarHBondContact O-CB 3.44Å; P6-F9 PolarHBondContact O-N 3.19Å; P6-F9 VanDerWaalsContact O-N 3.15Å; P7-F9 VanDerWaalsContact C-N 3.31Å; P7-F9 PolarHBondContact O-N 3.06Å; F9-W323 HydrophobicContact CD1-CB 4.29Å; F9-R324 WeakPolarHBondContact CA-O 3.21Å; F9-A325 HydrophobicContact CD2-CB 4.09Å; F9-A325 HydrophobicContact CE2-CB 3.94Å; F9-A325 HydrophobicContact CG-CB 4.49Å; F9-A325 HydrophobicContact CZ-CB 4.2Å |
| 10 | R | 90.3 | Very high | 86.8 | Confident | 85 Ų | 85 | 60.5 Ų | 60.5 | 32% | 0.321 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 152.7 | -176.3 | -57.3 | 175.6 | 70.1 | 90.9 | -7 | 110.8 | H12 E58 R324 | R10-H12 PolarHBondContact O-N 3.24Å; R10-H12 VanDerWaalsContact O-N 3.1Å; R10-E58 IonicContact CZ-OE1 2.68Å; R10-E58 IonicContact CZ-OE2 2.78Å; R10-E58 IonicContact NH1-OE1 3.15Å; R10-E58 PolarHBondContact NH1-OE1 3.22Å; R10-E58 IonicContact NH1-OE2 3.08Å; R10-E58 PolarHBondContact NH1-OE2 3.26Å; R10-E58 IonicContact NH2-OE1 2.73Å; R10-E58 PolarHBondContact NH2-OE1 2.63Å; R10-E58 IonicContact NH2-OE2 3.31Å; R10-E58 PolarHBondContact NH2-OE2 3.4Å; R10-R324 PolarHBondContact N-O 2.95Å; R10-R324 PolarHBondContact O-N 2.67Å |
| 11 | F | 92.9 | Very high | 87.2 | Confident | 18 Ų | 18 | 61 Ų | 61 | 8% | 0.079 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 107.5 | 169.4 | -168.6 | -116.4 | 0 | 0 | 0 | 110.6 | P13 L18 Y22 A36 I37 Y62 T322 W323 | F11-P13 HydrophobicContact CD1-CG 4.15Å; F11-P13 HydrophobicContact CE1-CG 3.59Å; F11-P13 HydrophobicContact CE2-CG 4.25Å; F11-P13 HydrophobicContact CZ-CB 4.33Å; F11-P13 HydrophobicContact CZ-CG 3.65Å; F11-L18 HydrophobicContact CZ-CD2 4.49Å; F11-Y22 HydrophobicContact CE2-CE1 4.22Å; F11-Y22 HydrophobicContact CE2-CE2 4.21Å; F11-Y22 AromaticContact CE2-CZ 3.76Å; F11-Y22 HydrophobicContact CZ-CE1 4.36Å; F11-Y22 HydrophobicContact CZ-CE2 4.36Å; F11-A36 HydrophobicContact CD1-CB 3.92Å; F11-A36 HydrophobicContact CD2-CB 3.43Å; F11-A36 VanDerWaalsContact CD2-CB 3.43Å; F11-A36 HydrophobicContact CE1-CB 3.85Å; F11-A36 HydrophobicContact CE2-CB 3.36Å; F11-A36 HydrophobicContact CG-CB 3.71Å; F11-A36 HydrophobicContact CZ-CB 3.58Å; F11-I37 HydrophobicContact CE1-CG1 4.18Å; F11-I37 HydrophobicContact CZ-CD1 4.12Å; F11-I37 HydrophobicContact CZ-CG1 4.02Å; F11-Y62 AromaticContact CD1-CD2 3.68Å; F11-Y62 HydrophobicContact CD1-CD2 3.68Å; F11-Y62 AromaticContact CD1-CE2 3.75Å; F11-Y62 HydrophobicContact CD1-CE2 3.75Å; F11-Y62 HydrophobicContact CD1-CG 4.13Å; F11-Y62 AromaticContact CE1-CD1 3.88Å; F11-Y62 HydrophobicContact CE1-CD1 3.88Å; F11-Y62 AromaticContact CE1-CD2 3.73Å; F11-Y62 HydrophobicContact CE1-CD2 3.73Å; F11-Y62 HydrophobicContact CE1-CE1 4.11Å; F11-Y62 HydrophobicContact CE1-CE2 4Å; F11-Y62 AromaticContact CE1-CG 3.68Å; F11-Y62 HydrophobicContact CE1-CG 3.68Å; F11-T322 HydrophobicContact CD2-CG2 3.79Å; F11-T322 HydrophobicContact CE2-CG2 3.4Å; F11-T322 HydrophobicContact CZ-CG2 4.24Å; F11-W323 HydrophobicContact CB-CE3 4.04Å; F11-W323 HydrophobicContact CB-CH2 4.08Å; F11-W323 HydrophobicContact CB-CZ3 3.62Å; F11-W323 HydrophobicContact CD2-CD2 4.48Å; F11-W323 HydrophobicContact CD2-CE3 4.44Å; F11-W323 AromaticContact CD2-CH2 3.98Å; F11-W323 HydrophobicContact CD2-CH2 3.98Å; F11-W323 HydrophobicContact CD2-CZ2 4.02Å; F11-W323 HydrophobicContact CD2-CZ3 4.19Å; F11-W323 HydrophobicContact CG-CH2 4.39Å; F11-W323 HydrophobicContact CG-CZ3 4.36Å |
| 12 | H | 93 | Very high | 89.6 | Confident | 71 Ų | 71 | 50.8 Ų | 50.8 | 33% | 0.329 | 29% | 0.285 | S | S | . | . | trans | -140.6 | 64.1 | 178.8 | -156.1 | 85.7 | 0 | 0 | 0 | 112.4 | R10 T322 R324 F326 | R10-H12 PolarHBondContact O-N 3.24Å; R10-H12 VanDerWaalsContact O-N 3.1Å; H12-T322 PolarHBondContact N-O 3.15Å; H12-R324 HydrophobicContact CB-CB 4.47Å; H12-R324 PolarHBondContact O-NH1 3.29Å; H12-F326 HydrophobicContact CB-CE2 3.81Å; H12-F326 HydrophobicContact CB-CZ 4.14Å; H12-F326 AromaticContact CD2-CZ 3.9Å; H12-F326 AromaticContact CG-CE2 3.89Å; H12-F326 AromaticContact CG-CZ 3.75Å | ||
| 13 | P | 95.7 | Very high | 91.2 | Very high | 3 Ų | 3 | 48.4 Ų | 48.4 | 2% | 0.019 | 27% | 0.274 | C | S | . | . | trans | -67.5 | 146.1 | -179.5 | 30.5 | -38 | 0 | 0 | 0 | 112.4 | F11 E17 L18 Y62 T322 | F11-P13 HydrophobicContact CD1-CG 4.15Å; F11-P13 HydrophobicContact CE1-CG 3.59Å; F11-P13 HydrophobicContact CE2-CG 4.25Å; F11-P13 HydrophobicContact CZ-CB 4.33Å; F11-P13 HydrophobicContact CZ-CG 3.65Å; P13-E17 HydrophobicContact CB-CB 4.25Å; P13-L18 HydrophobicContact CB-CD2 3.75Å; P13-L18 HydrophobicContact CB-CG 3.83Å; P13-L18 HydrophobicContact CG-CD1 4.37Å; P13-L18 HydrophobicContact CG-CD2 3.36Å; P13-L18 HydrophobicContact CG-CG 3.78Å; P13-Y62 HydrophobicContact CG-CE1 3.8Å; P13-T322 HydrophobicContact CB-CG2 3.68Å; P13-T322 HydrophobicContact CG-CG2 4.41Å | ||
| 14 | T | 97.1 | Very high | 92.5 | Very high | 60 Ų | 60 | 42 Ų | 42 | 37% | 0.368 | 24% | 0.244 | S | C | . | . | trans | -68.8 | 166.6 | 164.8 | 59.2 | 0 | 0 | 0 | 0 | 111.2 | E16 E17 L18 | T14-E16 PolarHBondContact O-N 2.99Å; T14-E16 PolarHBondContact OG1-N 3.35Å; T14-E17 VanDerWaalsContact CB-OE2 3.32Å; T14-E17 WeakPolarHBondContact CB-OE2 3.23Å; T14-E17 WeakPolarHBondContact CG2-OE2 3.46Å; T14-E17 PolarHBondContact N-OE2 2.54Å; T14-E17 WeakPolarHBondContact OG1-CB 3.43Å; T14-E17 VanDerWaalsContact OG1-CG 3.25Å; T14-E17 WeakPolarHBondContact OG1-CG 3.44Å; T14-E17 PolarHBondContact OG1-N 3.32Å; T14-E17 VanDerWaalsContact OG1-N 3.15Å; T14-E17 PolarHBondContact OG1-OE2 2.82Å; T14-L18 WeakPolarHBondContact O-CG 3.06Å; T14-L18 PolarHBondContact O-N 3.5Å | ||
| 15 | D | 98.1 | Very high | 93.1 | Very high | 25 Ų | 25 | 41.3 Ų | 41.3 | 13% | 0.134 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -26.4 | 171.8 | -75.5 | -14.1 | 0 | 0 | 0 | 113 | K93 I95 K105 Y128 | D15-K93 IonicContact OD2-NZ 2.64Å; D15-K93 PolarHBondContact OD2-NZ 2.86Å; D15-I95 HydrophobicContact CB-CD1 3.84Å; D15-I95 HydrophobicContact CB-CG1 4.09Å; D15-I95 WeakPolarHBondContact O-CG2 3.47Å; D15-K105 VanDerWaalsContact CG-NZ 3.28Å; D15-K105 WeakPolarHBondContact OD1-CD 3.32Å; D15-K105 WeakPolarHBondContact OD1-CE 3.41Å; D15-K105 IonicContact OD1-NZ 3.54Å; D15-K105 PolarHBondContact OD1-NZ 2.82Å; D15-K105 WeakPolarHBondContact OD2-CD 3.48Å; D15-K105 IonicContact OD2-NZ 2.78Å; D15-K105 PolarHBondContact OD2-NZ 3.24Å; D15-K105 VanDerWaalsContact OD2-NZ 3.08Å; D15-Y128 HydrophobicContact CB-CE1 4.02Å; D15-Y128 VanDerWaalsContact OD1-CE1 3.28Å; D15-Y128 WeakPolarHBondContact OD1-CE1 3.41Å; D15-Y128 PolarHBondContact OD1-OH 3.25Å |
| 16 | E | 97.5 | Very high | 93.6 | Very high | 73 Ų | 73 | 39.4 Ų | 39.4 | 34% | 0.341 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -53.6 | -179.4 | -176.4 | 177.2 | 166.9 | 0 | 0 | 111.6 | T14 L18 I19 T20 I95 F96 H97 | T14-E16 PolarHBondContact O-N 2.99Å; T14-E16 PolarHBondContact OG1-N 3.35Å; E16-L18 VanDerWaalsContact C-N 3.29Å; E16-L18 PolarHBondContact O-N 3.26Å; E16-I19 WeakPolarHBondContact O-CA 3.43Å; E16-I19 PolarHBondContact O-N 2.85Å; E16-T20 HydrophobicContact CG-CG2 4.3Å; E16-T20 PolarHBondContact O-N 2.85Å; E16-T20 PolarHBondContact O-OG1 3.37Å; E16-I95 HydrophobicContact CB-CG2 4.37Å; E16-F96 WeakPolarHBondContact CG-O 3.4Å; E16-H97 HydrophobicContact CG-CB 4.1Å; E16-H97 WeakPolarHBondContact OE1-CA 3.5Å; E16-H97 IonicContact OE1-CE1 3.21Å; E16-H97 IonicContact OE1-CG 3.83Å; E16-H97 IonicContact OE1-ND1 2.63Å; E16-H97 PolarHBondContact OE1-ND1 3.16Å |
| 17 | E | 97.5 | Very high | 93.8 | Very high | 21 Ų | 21 | 38.4 Ų | 38.4 | 10% | 0.098 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -57.1 | -39.6 | -179.1 | -70.7 | 157.6 | 149.1 | 0 | 0 | 112.3 | P13 T14 I19 Y21 Y22 R324 | P13-E17 HydrophobicContact CB-CB 4.25Å; T14-E17 VanDerWaalsContact CB-OE2 3.32Å; T14-E17 WeakPolarHBondContact CB-OE2 3.23Å; T14-E17 WeakPolarHBondContact CG2-OE2 3.46Å; T14-E17 PolarHBondContact N-OE2 2.54Å; T14-E17 WeakPolarHBondContact OG1-CB 3.43Å; T14-E17 VanDerWaalsContact OG1-CG 3.25Å; T14-E17 WeakPolarHBondContact OG1-CG 3.44Å; T14-E17 PolarHBondContact OG1-N 3.32Å; T14-E17 VanDerWaalsContact OG1-N 3.15Å; T14-E17 PolarHBondContact OG1-OE2 2.82Å; E17-I19 PolarHBondContact O-N 3.45Å; E17-Y21 HydrophobicContact CB-CD2 3.99Å; E17-Y21 HydrophobicContact CG-CD2 3.89Å; E17-Y21 HydrophobicContact CG-CE2 4.01Å; E17-Y21 PolarHBondContact O-N 2.91Å; E17-Y22 WeakPolarHBondContact O-CD2 3.17Å; E17-R324 IonicContact OE1-CZ 3.32Å; E17-R324 IonicContact OE1-NH1 2.74Å; E17-R324 PolarHBondContact OE1-NH1 3.03Å; E17-R324 IonicContact OE1-NH2 3.49Å; E17-R324 PolarHBondContact OE1-NH2 3.06Å; E17-R324 IonicContact OE2-CZ 2.68Å; E17-R324 IonicContact OE2-NH1 2.96Å; E17-R324 PolarHBondContact OE2-NH1 3.36Å; E17-R324 IonicContact OE2-NH2 3.24Å; E17-R324 PolarHBondContact OE2-NH2 2.94Å |
| 18 | L | 97.6 | Very high | 94 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.179 | C | C | . | . | I | π-helix | trans | -56.1 | -32.2 | 173.9 | -75.1 | 179.5 | 0 | 0 | 0 | 113.4 | F11 P13 T14 E16 Y22 L23 I37 Y62 Y128 V145 | F11-L18 HydrophobicContact CZ-CD2 4.49Å; P13-L18 HydrophobicContact CB-CD2 3.75Å; P13-L18 HydrophobicContact CB-CG 3.83Å; P13-L18 HydrophobicContact CG-CD1 4.37Å; P13-L18 HydrophobicContact CG-CD2 3.36Å; P13-L18 HydrophobicContact CG-CG 3.78Å; T14-L18 WeakPolarHBondContact O-CG 3.06Å; T14-L18 PolarHBondContact O-N 3.5Å; E16-L18 VanDerWaalsContact C-N 3.29Å; E16-L18 PolarHBondContact O-N 3.26Å; L18-Y22 WeakPolarHBondContact O-CB 3.28Å; L18-L23 WeakPolarHBondContact O-CB 3.26Å; L18-L23 PolarHBondContact O-N 3.3Å; L18-I37 HydrophobicContact CD2-CD1 4.37Å; L18-Y62 HydrophobicContact CD1-CE1 4.05Å; L18-Y62 HydrophobicContact CD2-CD1 3.94Å; L18-Y62 HydrophobicContact CD2-CE1 3.94Å; L18-Y128 HydrophobicContact CB-CD1 4.49Å; L18-Y128 HydrophobicContact CD1-CD1 4.21Å; L18-Y128 HydrophobicContact CD1-CD2 4.02Å; L18-Y128 HydrophobicContact CD1-CE1 3.76Å; L18-Y128 HydrophobicContact CD1-CE2 3.55Å; L18-Y128 HydrophobicContact CD1-CG 4.33Å; L18-V145 HydrophobicContact CD2-CG1 4.15Å |
| 19 | I | 96.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 18% | 0.18 | C | C | . | . | I | π-helix | trans | -88.5 | -55.5 | 179.8 | -60.2 | -167.6 | 0 | 0 | 0 | 109.8 | E16 E17 L23 T24 I95 V102 Y128 L130 | E16-I19 WeakPolarHBondContact O-CA 3.43Å; E16-I19 PolarHBondContact O-N 2.85Å; E17-I19 PolarHBondContact O-N 3.45Å; I19-L23 PolarHBondContact O-N 3.12Å; I19-T24 PolarHBondContact O-N 3.49Å; I19-T24 PolarHBondContact O-OG1 2.8Å; I19-I95 HydrophobicContact CD1-CB 4.14Å; I19-I95 HydrophobicContact CD1-CD1 3.6Å; I19-I95 HydrophobicContact CD1-CG1 4.47Å; I19-I95 HydrophobicContact CD1-CG2 4.14Å; I19-I95 HydrophobicContact CG1-CD1 4.48Å; I19-V102 HydrophobicContact CB-CG2 4.45Å; I19-V102 HydrophobicContact CG2-CB 4.1Å; I19-V102 HydrophobicContact CG2-CG2 4.09Å; I19-Y128 HydrophobicContact CD1-CD1 4.37Å; I19-Y128 HydrophobicContact CG1-CD1 4.34Å; I19-L130 HydrophobicContact CG2-CD1 3.74Å |
| 20 | T | 94.6 | Very high | 94.2 | Very high | 7 Ų | 7 | 38.3 Ų | 38.3 | 4% | 0.043 | 19% | 0.187 | C | C | . | . | I | π-helix | trans | -65.4 | -46.3 | -173.7 | 54.7 | 0 | 0 | 0 | 0 | 113 | E16 H97 V102 | E16-T20 HydrophobicContact CG-CG2 4.3Å; E16-T20 PolarHBondContact O-N 2.85Å; E16-T20 PolarHBondContact O-OG1 3.37Å; T20-H97 HydrophobicContact CG2-CB 3.81Å; T20-V102 HydrophobicContact CG2-CG2 4.43Å |
| 21 | Y | 94.7 | Very high | 94.3 | Very high | 70 Ų | 70 | 39.8 Ų | 39.8 | 28% | 0.275 | 21% | 0.206 | S | C | . | . | I | π-helix | trans | -100.4 | -15.2 | -171.4 | -59 | -50.9 | 0 | 0 | 0 | 114.5 | E17 R25 W229 | E17-Y21 HydrophobicContact CB-CD2 3.99Å; E17-Y21 HydrophobicContact CG-CD2 3.89Å; E17-Y21 HydrophobicContact CG-CE2 4.01Å; E17-Y21 PolarHBondContact O-N 2.91Å; Y21-R25 VanDerWaalsContact O-CZ 3.22Å; Y21-R25 PolarHBondContact O-NE 3.33Å; Y21-R25 PolarHBondContact O-NH2 2.93Å; Y21-W229 HydrophobicContact CE1-CH2 4.38Å |
| 22 | Y | 96.8 | Very high | 94.3 | Very high | 3 Ų | 3 | 40 Ų | 40 | 1% | 0.012 | 21% | 0.207 | C | C | . | . | I | π-helix | trans | -117.4 | -60 | -178.7 | -66.1 | -86.4 | 0 | 0 | 0 | 112.7 | F11 E17 L18 R25 K26 T34 I37 T322 | F11-Y22 HydrophobicContact CE2-CE1 4.22Å; F11-Y22 HydrophobicContact CE2-CE2 4.21Å; F11-Y22 AromaticContact CE2-CZ 3.76Å; F11-Y22 HydrophobicContact CZ-CE1 4.36Å; F11-Y22 HydrophobicContact CZ-CE2 4.36Å; E17-Y22 WeakPolarHBondContact O-CD2 3.17Å; L18-Y22 WeakPolarHBondContact O-CB 3.28Å; Y22-R25 PolarHBondContact O-N 2.91Å; Y22-K26 PolarHBondContact O-N 2.75Å; Y22-K26 VanDerWaalsContact O-N 3.1Å; Y22-T34 HydrophobicContact CD1-CG2 3.99Å; Y22-T34 HydrophobicContact CE1-CG2 4.06Å; Y22-I37 HydrophobicContact CD1-CD1 3.58Å; Y22-I37 HydrophobicContact CD1-CG1 4.27Å; Y22-I37 HydrophobicContact CE1-CD1 4.38Å; Y22-I37 HydrophobicContact CG-CD1 3.71Å; Y22-T322 HydrophobicContact CE2-CG2 3.9Å; Y22-T322 PolarHBondContact OH-OG1 3.48Å |
| 23 | L | 95.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.222 | C | C | . | . | I | π-helix | trans | -66.2 | -43.9 | -177.6 | -176 | 56.1 | 0 | 0 | 0 | 112.7 | L18 I19 R25 K26 V27 Y128 L130 W143 V145 | L18-L23 WeakPolarHBondContact O-CB 3.26Å; L18-L23 PolarHBondContact O-N 3.3Å; I19-L23 PolarHBondContact O-N 3.12Å; L23-R25 VanDerWaalsContact C-N 3.31Å; L23-R25 PolarHBondContact O-N 3.28Å; L23-K26 PolarHBondContact O-N 2.89Å; L23-V27 HydrophobicContact CD1-CG2 3.94Å; L23-V27 HydrophobicContact CG-CG2 4.29Å; L23-V27 WeakPolarHBondContact O-CG2 3.44Å; L23-V27 PolarHBondContact O-N 3.2Å; L23-Y128 WeakPolarHBondContact CD2-O 3.48Å; L23-L130 HydrophobicContact CD2-CB 4.18Å; L23-W143 HydrophobicContact CD1-CB 3.94Å; L23-V145 HydrophobicContact CB-CG2 3.93Å; L23-V145 HydrophobicContact CD1-CG2 4.24Å |
| 24 | T | 93.3 | Very high | 94.2 | Very high | 8 Ų | 8 | 42.5 Ų | 42.5 | 5% | 0.049 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.7 | -41 | 178.4 | -58.2 | 0 | 0 | 0 | 0 | 111.3 | I19 V27 S28 L130 M230 | I19-T24 PolarHBondContact O-N 3.49Å; I19-T24 PolarHBondContact O-OG1 2.8Å; T24-V27 PolarHBondContact O-N 3.16Å; T24-S28 WeakPolarHBondContact O-CB 3.37Å; T24-S28 PolarHBondContact O-N 3.49Å; T24-S28 PolarHBondContact O-OG 2.91Å; T24-S28 VanDerWaalsContact O-OG 3.08Å; T24-L130 WeakPolarHBondContact OG1-CD1 3.25Å; T24-M230 HydrophobicContact CG2-CE 3.63Å; T24-M230 HydrophobicContact CG2-SD 3.5Å; T24-M230 WeakPolarHBondContact CG2-SD 3.5Å |
| 25 | R | 92.8 | Very high | 93.9 | Very high | 69 Ų | 69 | 44.9 Ų | 44.9 | 26% | 0.26 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -60.9 | -48.5 | 173.6 | -78.4 | -165.8 | -79.9 | -155.8 | -6.4 | 111.9 | Y21 Y22 L23 V27 S28 D29 F32 | Y21-R25 VanDerWaalsContact O-CZ 3.22Å; Y21-R25 PolarHBondContact O-NE 3.33Å; Y21-R25 PolarHBondContact O-NH2 2.93Å; Y22-R25 PolarHBondContact O-N 2.91Å; L23-R25 VanDerWaalsContact C-N 3.31Å; L23-R25 PolarHBondContact O-N 3.28Å; R25-V27 VanDerWaalsContact C-N 3.27Å; R25-V27 PolarHBondContact O-N 2.88Å; R25-S28 PolarHBondContact O-N 3.26Å; R25-D29 PolarHBondContact O-N 2.9Å; R25-F32 HydrophobicContact CB-CD1 3.76Å; R25-F32 HydrophobicContact CB-CD2 4.01Å; R25-F32 HydrophobicContact CB-CE1 3.73Å; R25-F32 HydrophobicContact CB-CE2 4Å; R25-F32 HydrophobicContact CB-CG 3.89Å; R25-F32 HydrophobicContact CB-CZ 3.86Å; R25-F32 HydrophobicContact CG-CE2 4.46Å; R25-F32 HydrophobicContact CG-CZ 4.5Å |
| 26 | K | 94.3 | Very high | 93.7 | Very high | 3 Ų | 3 | 43.7 Ų | 43.7 | 1% | 0.013 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.8 | -26.2 | 178.2 | -167.9 | 60.4 | 164.4 | 177.8 | 0 | 114.6 | Y22 L23 D29 F30 F32 D39 F64 W143 | Y22-K26 PolarHBondContact O-N 2.75Å; Y22-K26 VanDerWaalsContact O-N 3.1Å; L23-K26 PolarHBondContact O-N 2.89Å; K26-D29 CarbonylContact C-O 3.43Å; K26-D29 WeakPolarHBondContact CA-O 3.4Å; K26-D29 CarbonylContact O-C 3.55Å; K26-F30 PolarHBondContact NZ-O 3.34Å; K26-F32 HydrophobicContact CB-CD1 4.08Å; K26-F32 HydrophobicContact CD-CB 4.34Å; K26-F32 HydrophobicContact CD-CD1 4.43Å; K26-F32 VanDerWaalsContact CD-O 3.27Å; K26-F32 WeakPolarHBondContact CD-O 3.21Å; K26-F32 PolarHBondContact NZ-O 3.38Å; K26-D39 VanDerWaalsContact CE-OD1 3.25Å; K26-D39 WeakPolarHBondContact CE-OD1 3.09Å; K26-D39 WeakPolarHBondContact CE-OD2 3.32Å; K26-D39 IonicContact NZ-OD1 3.83Å; K26-D39 PolarHBondContact NZ-OD1 3.22Å; K26-D39 IonicContact NZ-OD2 3.43Å; K26-D39 PolarHBondContact NZ-OD2 3.42Å; K26-F64 HydrophobicContact CB-CD1 3.9Å; K26-F64 HydrophobicContact CB-CE1 3.58Å; K26-F64 HydrophobicContact CB-CE2 4.49Å; K26-F64 HydrophobicContact CB-CG 4.48Å; K26-F64 HydrophobicContact CB-CZ 3.93Å; K26-F64 HydrophobicContact CD-CD2 4.23Å; K26-F64 HydrophobicContact CD-CE2 4.4Å; K26-F64 HydrophobicContact CD-CG 4.33Å; K26-F64 HydrophobicContact CG-CB 4.42Å; K26-F64 HydrophobicContact CG-CD1 3.71Å; K26-F64 HydrophobicContact CG-CD2 4.23Å; K26-F64 HydrophobicContact CG-CE1 3.92Å; K26-F64 HydrophobicContact CG-CE2 4.41Å; K26-F64 HydrophobicContact CG-CG 3.88Å; K26-F64 HydrophobicContact CG-CZ 4.27Å; K26-W143 HydrophobicContact CG-CD2 3.91Å; K26-W143 HydrophobicContact CG-CE3 4.23Å; K26-W143 HydrophobicContact CG-CG 4.04Å |
| 27 | V | 91.4 | Very high | 93.6 | Very high | 51 Ų | 51 | 40.4 Ų | 40.4 | 31% | 0.309 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -83.2 | -31.9 | 175.8 | 171.2 | 0 | 0 | 0 | 0 | 112 | L23 T24 R25 L130 W143 | L23-V27 HydrophobicContact CD1-CG2 3.94Å; L23-V27 HydrophobicContact CG-CG2 4.29Å; L23-V27 WeakPolarHBondContact O-CG2 3.44Å; L23-V27 PolarHBondContact O-N 3.2Å; T24-V27 PolarHBondContact O-N 3.16Å; R25-V27 VanDerWaalsContact C-N 3.27Å; R25-V27 PolarHBondContact O-N 2.88Å; V27-L130 HydrophobicContact CB-CD2 4.49Å; V27-L130 HydrophobicContact CG1-CD2 4.15Å; V27-W143 HydrophobicContact CG2-CB 4.02Å |
| 28 | S | 90.1 | Very high | 93.6 | Very high | 66 Ų | 66 | 40.3 Ų | 40.3 | 46% | 0.462 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -79.1 | -35.9 | 175.4 | -63 | 0 | 0 | 0 | 0 | 113 | T24 R25 | T24-S28 WeakPolarHBondContact O-CB 3.37Å; T24-S28 PolarHBondContact O-N 3.49Å; T24-S28 PolarHBondContact O-OG 2.91Å; T24-S28 VanDerWaalsContact O-OG 3.08Å; R25-S28 PolarHBondContact O-N 3.26Å |
| 29 | D | 89.9 | Confident | 93.5 | Very high | 65 Ų | 65 | 44.5 Ų | 44.5 | 35% | 0.348 | 24% | 0.237 | S | C | . | . | trans | -132.3 | 113 | 177.4 | 167.7 | 24.8 | 0 | 0 | 0 | 109.4 | R25 K26 T31 F32 | R25-D29 PolarHBondContact O-N 2.9Å; K26-D29 CarbonylContact C-O 3.43Å; K26-D29 WeakPolarHBondContact CA-O 3.4Å; K26-D29 CarbonylContact O-C 3.55Å; D29-T31 PolarHBondContact O-N 3.08Å; D29-T31 WeakPolarHBondContact OD1-CA 3.43Å; D29-T31 WeakPolarHBondContact OD1-CB 3.27Å; D29-T31 PolarHBondContact OD1-N 3.19Å; D29-T31 PolarHBondContact OD1-OG1 2.97Å; D29-T31 PolarHBondContact OD2-OG1 2.95Å; D29-F32 HydrophobicContact CB-CB 4.28Å; D29-F32 VanDerWaalsContact O-CB 3.23Å; D29-F32 WeakPolarHBondContact O-CB 3.25Å; D29-F32 PolarHBondContact O-N 2.95Å; D29-F32 PolarHBondContact OD1-N 3.29Å; D29-F32 PolarHBondContact OD2-N 3.39Å; D29-F32 VanDerWaalsContact OD2-N 3.12Å | ||
| 30 | F | 88.2 | Confident | 93.3 | Very high | 107 Ų | 107 | 45.5 Ų | 45.5 | 47% | 0.469 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -26.1 | 179 | -73.5 | -102.9 | 0 | 0 | 0 | 112.8 | K26 F32 D141 W143 | K26-F30 PolarHBondContact NZ-O 3.34Å; F30-F32 VanDerWaalsContact C-N 3.32Å; F30-D141 HydrophobicContact CE1-CB 3.89Å; F30-D141 HydrophobicContact CZ-CB 4.15Å; F30-W143 HydrophobicContact CD1-CZ2 4.29Å; F30-W143 AromaticContact CD1-NE1 3.2Å; F30-W143 AromaticContact CE1-CD1 3.94Å; F30-W143 AromaticContact CE1-NE1 3.27Å; F30-W143 VanDerWaalsContact CE1-NE1 3.27Å |
| 31 | T | 91.8 | Very high | 93.2 | Very high | 116 Ų | 116 | 47.9 Ų | 47.9 | 71% | 0.712 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | -12 | 179.2 | 73.1 | 0 | 0 | 0 | 0 | 113 | D29 S33 | D29-T31 PolarHBondContact O-N 3.08Å; D29-T31 WeakPolarHBondContact OD1-CA 3.43Å; D29-T31 WeakPolarHBondContact OD1-CB 3.27Å; D29-T31 PolarHBondContact OD1-N 3.19Å; D29-T31 PolarHBondContact OD1-OG1 2.97Å; D29-T31 PolarHBondContact OD2-OG1 2.95Å; T31-S33 PolarHBondContact O-N 2.77Å |
| 32 | F | 93.3 | Very high | 93 | Very high | 23 Ų | 23 | 45.2 Ų | 45.2 | 10% | 0.101 | 25% | 0.246 | C | C | . | . | trans | -52.6 | 130.2 | 174.9 | 179.4 | -108.7 | 0 | 0 | 0 | 110.9 | R25 K26 D29 F30 F64 | R25-F32 HydrophobicContact CB-CD1 3.76Å; R25-F32 HydrophobicContact CB-CD2 4.01Å; R25-F32 HydrophobicContact CB-CE1 3.73Å; R25-F32 HydrophobicContact CB-CE2 4Å; R25-F32 HydrophobicContact CB-CG 3.89Å; R25-F32 HydrophobicContact CB-CZ 3.86Å; R25-F32 HydrophobicContact CG-CE2 4.46Å; R25-F32 HydrophobicContact CG-CZ 4.5Å; K26-F32 HydrophobicContact CB-CD1 4.08Å; K26-F32 HydrophobicContact CD-CB 4.34Å; K26-F32 HydrophobicContact CD-CD1 4.43Å; K26-F32 VanDerWaalsContact CD-O 3.27Å; K26-F32 WeakPolarHBondContact CD-O 3.21Å; K26-F32 PolarHBondContact NZ-O 3.38Å; D29-F32 HydrophobicContact CB-CB 4.28Å; D29-F32 VanDerWaalsContact O-CB 3.23Å; D29-F32 WeakPolarHBondContact O-CB 3.25Å; D29-F32 PolarHBondContact O-N 2.95Å; D29-F32 PolarHBondContact OD1-N 3.29Å; D29-F32 PolarHBondContact OD2-N 3.39Å; D29-F32 VanDerWaalsContact OD2-N 3.12Å; F30-F32 VanDerWaalsContact C-N 3.32Å; F32-F64 HydrophobicContact CD1-CE2 4.43Å; F32-F64 HydrophobicContact CD1-CZ 4.2Å; F32-F64 HydrophobicContact CE1-CE2 4.4Å; F32-F64 AromaticContact CE1-CZ 3.98Å; F32-F64 HydrophobicContact CE1-CZ 3.98Å | ||
| 33 | S | 92.6 | Very high | 92.4 | Very high | 92 Ų | 92 | 46.5 Ų | 46.5 | 64% | 0.643 | 25% | 0.253 | S | S | * | . | trans | -141 | 160.8 | 177.6 | 58.3 | 0 | 0 | 0 | 0 | 109.4 | T31 | T31-S33 PolarHBondContact O-N 2.77Š| ||
| 34 | T | 93.3 | Very high | 92.1 | Very high | 33 Ų | 33 | 54.5 Ų | 54.5 | 20% | 0.202 | 29% | 0.287 | C | S | . | . | B | Isolated β-bridge | trans | -154 | 149.3 | -179 | -175.5 | 0 | 0 | 0 | 0 | 110.6 | Y22 A36 I37 F64 | Y22-T34 HydrophobicContact CD1-CG2 3.99Å; Y22-T34 HydrophobicContact CE1-CG2 4.06Å; T34-A36 PolarHBondContact O-N 3.21Å; T34-A36 VanDerWaalsContact O-N 3.11Å; T34-I37 HydrophobicContact CG2-CB 3.7Å; T34-I37 HydrophobicContact CG2-CG1 3.95Å; T34-I37 PolarHBondContact O-N 2.84Å; T34-F64 HydrophobicContact CG2-CE2 4.17Å |
| 35 | R | 91.6 | Very high | 92.1 | Very high | 110 Ų | 110 | 54.4 Ų | 54.4 | 42% | 0.415 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -26.6 | 178.2 | -169.8 | 170.4 | 75.4 | 175 | 5 | 112.9 | E3 S55 M56 | E3-R35 PolarHBondContact O-NH1 3.1Å; R35-S55 WeakPolarHBondContact O-CB 3.48Å; R35-S55 PolarHBondContact O-OG 2.68Å; R35-M56 HydrophobicContact CG-SD 4.41Å |
| 36 | A | 92.9 | Very high | 92.2 | Very high | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.008 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -17.6 | -172.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | F11 T34 M56 W323 | F11-A36 HydrophobicContact CD1-CB 3.92Å; F11-A36 HydrophobicContact CD2-CB 3.43Å; F11-A36 VanDerWaalsContact CD2-CB 3.43Å; F11-A36 HydrophobicContact CE1-CB 3.85Å; F11-A36 HydrophobicContact CE2-CB 3.36Å; F11-A36 HydrophobicContact CG-CB 3.71Å; F11-A36 HydrophobicContact CZ-CB 3.58Å; T34-A36 PolarHBondContact O-N 3.21Å; T34-A36 VanDerWaalsContact O-N 3.11Å; A36-M56 HydrophobicContact CB-SD 4.17Å; A36-W323 HydrophobicContact CB-CH2 3.94Å; A36-W323 HydrophobicContact CB-CZ2 4.13Å |
| 37 | I | 96.7 | Very high | 92.3 | Very high | 3 Ų | 3 | 51.8 Ų | 51.8 | 2% | 0.015 | 28% | 0.278 | C | S | . | . | B | Isolated β-bridge | trans | -139.8 | 116.3 | -171 | -50 | -172.3 | 0 | 0 | 0 | 109.1 | F11 L18 Y22 T34 Y62 F64 V145 | F11-I37 HydrophobicContact CE1-CG1 4.18Å; F11-I37 HydrophobicContact CZ-CD1 4.12Å; F11-I37 HydrophobicContact CZ-CG1 4.02Å; L18-I37 HydrophobicContact CD2-CD1 4.37Å; Y22-I37 HydrophobicContact CD1-CD1 3.58Å; Y22-I37 HydrophobicContact CD1-CG1 4.27Å; Y22-I37 HydrophobicContact CE1-CD1 4.38Å; Y22-I37 HydrophobicContact CG-CD1 3.71Å; T34-I37 HydrophobicContact CG2-CB 3.7Å; T34-I37 HydrophobicContact CG2-CG1 3.95Å; T34-I37 PolarHBondContact O-N 2.84Å; I37-Y62 WeakPolarHBondContact CA-O 3.32Å; I37-F64 HydrophobicContact CB-CD2 4.06Å; I37-F64 HydrophobicContact CB-CE2 3.75Å; I37-F64 HydrophobicContact CB-CZ 4.19Å; I37-F64 HydrophobicContact CD1-CE1 4.5Å; I37-F64 HydrophobicContact CD1-CZ 4.14Å; I37-F64 HydrophobicContact CG2-CD1 4.14Å; I37-F64 HydrophobicContact CG2-CD2 3.5Å; I37-F64 HydrophobicContact CG2-CE1 4.24Å; I37-F64 HydrophobicContact CG2-CE2 3.63Å; I37-F64 HydrophobicContact CG2-CG 3.77Å; I37-F64 HydrophobicContact CG2-CZ 4Å; I37-V145 HydrophobicContact CD1-CG1 4.37Å |
| 38 | A | 96.5 | Very high | 92.5 | Very high | 20 Ų | 20 | 53.9 Ų | 53.9 | 17% | 0.165 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 145.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y62 F63 F64 | A38-Y62 PolarHBondContact N-O 2.96Å; A38-F63 HydrophobicContact CB-CD1 4.25Å; A38-F63 CarbonylContact O-C 3.55Å; A38-F63 WeakPolarHBondContact O-CA 3.5Å; A38-F63 WeakPolarHBondContact O-CB 3.12Å; A38-F64 PolarHBondContact O-N 3.5Å |
| 39 | D | 95.5 | Very high | 92.8 | Very high | 87 Ų | 87 | 54 Ų | 54 | 47% | 0.465 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 129.8 | 173.5 | -74.9 | 11.2 | 0 | 0 | 0 | 110.5 | K26 F64 | K26-D39 VanDerWaalsContact CE-OD1 3.25Å; K26-D39 WeakPolarHBondContact CE-OD1 3.09Å; K26-D39 WeakPolarHBondContact CE-OD2 3.32Å; K26-D39 IonicContact NZ-OD1 3.83Å; K26-D39 PolarHBondContact NZ-OD1 3.22Å; K26-D39 IonicContact NZ-OD2 3.43Å; K26-D39 PolarHBondContact NZ-OD2 3.42Å; D39-F64 WeakPolarHBondContact OD1-CB 3.4Å; D39-F64 WeakPolarHBondContact OD1-CD2 3.36Å |
| 40 | V | 94.1 | Very high | 93.1 | Very high | 22 Ų | 22 | 50.9 Ų | 50.9 | 13% | 0.133 | 26% | 0.259 | C | S | . | . | trans | -148.5 | 149.9 | 179.6 | 86.6 | 0 | 0 | 0 | 0 | 112.8 | L42 L50 K53 F63 F64 S65 | V40-L42 HydrophobicContact CG1-CD2 3.53Å; V40-L42 HydrophobicContact CG1-CG 3.77Å; V40-L50 HydrophobicContact CG1-CD2 4.32Å; V40-L50 HydrophobicContact CG2-CD2 4.16Å; V40-K53 HydrophobicContact CG2-CD 4.04Å; V40-F63 HydrophobicContact CB-CB 4.42Å; V40-F63 HydrophobicContact CB-CD1 3.93Å; V40-F63 HydrophobicContact CB-CG 4.4Å; V40-F63 HydrophobicContact CG1-CB 3.6Å; V40-F63 HydrophobicContact CG1-CD1 3.73Å; V40-F63 HydrophobicContact CG1-CG 3.71Å; V40-F64 PolarHBondContact N-O 3.39Å; V40-S65 WeakPolarHBondContact O-CA 3.47Å; V40-S65 WeakPolarHBondContact O-CB 3.26Å; V40-S65 PolarHBondContact O-OG 3.2Å | ||
| 41 | D | 91.5 | Very high | 93.4 | Very high | 56 Ų | 56 | 47.8 Ų | 47.8 | 30% | 0.299 | 25% | 0.25 | S | C | . | . | trans | -93.8 | 102.8 | 165 | -176 | -8.6 | 0 | 0 | 0 | 110.2 | N43 K44 C45 | D41-N43 PolarHBondContact O-N 3.43Å; D41-N43 WeakPolarHBondContact OD1-CB 3.41Å; D41-N43 PolarHBondContact OD1-N 3.11Å; D41-N43 PolarHBondContact OD1-ND2 2.84Å; D41-K44 HydrophobicContact CB-CG 4.5Å; D41-K44 PolarHBondContact O-N 2.76Å; D41-K44 VanDerWaalsContact O-N 3.16Å; D41-K44 WeakPolarHBondContact OD2-CG 3.5Å; D41-K44 IonicContact OD2-NZ 2.77Å; D41-K44 PolarHBondContact OD2-NZ 2.66Å; D41-C45 PolarHBondContact O-SG 3.28Å | ||
| 42 | L | 91.2 | Very high | 93.6 | Very high | 15 Ų | 15 | 45.9 Ų | 45.9 | 8% | 0.079 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -11.4 | -178.2 | -65.8 | 170.4 | 0 | 0 | 0 | 114.4 | V40 L50 M125 C146 | V40-L42 HydrophobicContact CG1-CD2 3.53Å; V40-L42 HydrophobicContact CG1-CG 3.77Å; L42-L50 HydrophobicContact CD2-CD1 3.84Å; L42-L50 HydrophobicContact CD2-CD2 3.92Å; L42-M125 HydrophobicContact CD1-CE 3.78Å; L42-M125 HydrophobicContact CD1-SD 4.2Å; L42-M125 HydrophobicContact CD2-CE 3.88Å; L42-M125 HydrophobicContact CG-CE 4.3Å; L42-C146 HydrophobicContact CD1-CB 3.66Å; L42-C146 WeakPolarHBondContact CD1-SG 3.49Å |
| 43 | N | 84.1 | Confident | 93.7 | Very high | 30 Ų | 30 | 49.9 Ų | 49.9 | 16% | 0.16 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -21.3 | 175.5 | -51 | -85.8 | 0 | 0 | 0 | 111.8 | D41 D68 N78 | D41-N43 PolarHBondContact O-N 3.43Å; D41-N43 WeakPolarHBondContact OD1-CB 3.41Å; D41-N43 PolarHBondContact OD1-N 3.11Å; D41-N43 PolarHBondContact OD1-ND2 2.84Å; N43-D68 WeakPolarHBondContact ND2-CB 3.16Å; N43-N78 PolarHBondContact OD1-O 3.1Å |
| 44 | K | 88.2 | Confident | 93.8 | Very high | 167 Ų | 167 | 46.6 Ų | 46.6 | 73% | 0.726 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -105.1 | 12.1 | -178.2 | -59.4 | -171.6 | -178.2 | 95.2 | 0 | 113.6 | D41 | D41-K44 HydrophobicContact CB-CG 4.5Å; D41-K44 PolarHBondContact O-N 2.76Å; D41-K44 VanDerWaalsContact O-N 3.16Å; D41-K44 WeakPolarHBondContact OD2-CG 3.5Å; D41-K44 IonicContact OD2-NZ 2.77Å; D41-K44 PolarHBondContact OD2-NZ 2.66Å |
| 45 | C | 93.5 | Very high | 93.7 | Very high | 6 Ų | 6 | 48.1 Ų | 48.1 | 4% | 0.041 | 26% | 0.261 | C | S | . | . | trans | -131.8 | 129.9 | -177.3 | -56.7 | 0 | 0 | 0 | 0 | 110.2 | D41 L50 K53 | D41-C45 PolarHBondContact O-SG 3.28Å; C45-L50 HydrophobicContact CB-CD2 3.59Å; C45-L50 HydrophobicContact CB-CG 4.16Å; C45-K53 HydrophobicContact CB-CD 4.47Å; C45-K53 VanDerWaalsContact SG-CE 3.52Å | ||
| 46 | E | 95.6 | Very high | 93.6 | Very high | 18 Ų | 18 | 44.6 Ų | 44.6 | 8% | 0.084 | 25% | 0.25 | C | C | . | . | trans | -77.4 | 153.1 | 167.2 | -56.9 | -62.9 | 163.5 | 0 | 0 | 109.4 | W48 D49 T81 D82 S83 F110 | E46-W48 HydrophobicContact CB-CD2 3.96Å; E46-W48 HydrophobicContact CB-CG 4.41Å; E46-W48 HydrophobicContact CB-CH2 4.25Å; E46-W48 HydrophobicContact CB-CZ2 3.58Å; E46-W48 HydrophobicContact CG-CH2 4.49Å; E46-W48 HydrophobicContact CG-CZ2 3.73Å; E46-W48 PolarHBondContact O-N 2.62Å; E46-D49 VanDerWaalsContact CB-OD2 3.28Å; E46-D49 WeakPolarHBondContact CB-OD2 3.34Å; E46-D49 PolarHBondContact N-OD2 3.13Å; E46-D49 WeakPolarHBondContact O-CB 3.46Å; E46-D49 PolarHBondContact O-N 3.21Å; E46-T81 VanDerWaalsContact CD-OG1 3.24Å; E46-T81 WeakPolarHBondContact OE1-CB 3.18Å; E46-T81 PolarHBondContact OE1-OG1 3.48Å; E46-T81 WeakPolarHBondContact OE2-CB 3.39Å; E46-T81 PolarHBondContact OE2-OG1 3.06Å; E46-D82 PolarHBondContact OE1-N 3.48Å; E46-D82 VanDerWaalsContact OE1-N 3.11Å; E46-S83 VanDerWaalsContact CD-CB 3.44Å; E46-S83 WeakPolarHBondContact OE1-CB 3.42Å; E46-S83 PolarHBondContact OE1-N 2.77Å; E46-S83 PolarHBondContact OE1-OG 2.9Å; E46-S83 WeakPolarHBondContact OE2-CB 3.45Å; E46-S83 PolarHBondContact OE2-OG 2.75Å; E46-F110 WeakPolarHBondContact OE2-CZ 3.25Å | ||
| 47 | P | 96.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -20 | -172.1 | 24.7 | -36.2 | 0 | 0 | 0 | 114.6 | W86 F110 W123 | P47-W86 HydrophobicContact CB-CH2 3.82Å; P47-W86 HydrophobicContact CB-CZ2 3.72Å; P47-W86 HydrophobicContact CG-CZ2 4.36Å; P47-F110 HydrophobicContact CG-CB 4.13Å; P47-F110 HydrophobicContact CG-CD1 3.68Å; P47-F110 HydrophobicContact CG-CD2 4.1Å; P47-F110 HydrophobicContact CG-CE1 4.05Å; P47-F110 HydrophobicContact CG-CE2 4.44Å; P47-F110 HydrophobicContact CG-CG 3.7Å; P47-F110 HydrophobicContact CG-CZ 4.41Å; P47-W123 HydrophobicContact CB-CB 3.76Å; P47-W123 HydrophobicContact CB-CD2 3.67Å; P47-W123 HydrophobicContact CB-CE3 3.98Å; P47-W123 HydrophobicContact CB-CG 3.57Å; P47-W123 HydrophobicContact CG-CB 3.98Å; P47-W123 HydrophobicContact CG-CD2 4.22Å; P47-W123 HydrophobicContact CG-CG 3.73Å; P47-W123 VanDerWaalsContact O-CH2 3.29Å; P47-W123 WeakPolarHBondContact O-CH2 3.38Å; P47-W123 WeakPolarHBondContact O-CZ3 3.48Å |
| 48 | W | 95.7 | Very high | 93.1 | Very high | 95 Ų | 95 | 52.4 Ų | 52.4 | 36% | 0.36 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | -13.6 | 174.9 | 51.8 | 72.8 | 0 | 0 | 0 | 114.1 | E46 P51 S83 F110 W123 | E46-W48 HydrophobicContact CB-CD2 3.96Å; E46-W48 HydrophobicContact CB-CG 4.41Å; E46-W48 HydrophobicContact CB-CH2 4.25Å; E46-W48 HydrophobicContact CB-CZ2 3.58Å; E46-W48 HydrophobicContact CG-CH2 4.49Å; E46-W48 HydrophobicContact CG-CZ2 3.73Å; E46-W48 PolarHBondContact O-N 2.62Å; W48-P51 WeakPolarHBondContact O-CD 3.49Å; W48-S83 WeakPolarHBondContact CH2-OG 3.41Å; W48-F110 HydrophobicContact CH2-CE1 4.34Å; W48-F110 HydrophobicContact CZ3-CE1 4.07Å; W48-W123 HydrophobicContact CB-CZ2 3.75Å; W48-W123 AromaticContact CE3-NE1 3.99Å |
| 49 | D | 96.3 | Very high | 92.9 | Very high | 67 Ų | 67 | 59.2 Ų | 59.2 | 36% | 0.358 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | -28.6 | 173.6 | -49.6 | -38.2 | 0 | 0 | 0 | 111.1 | E46 G52 K53 | E46-D49 VanDerWaalsContact CB-OD2 3.28Å; E46-D49 WeakPolarHBondContact CB-OD2 3.34Å; E46-D49 PolarHBondContact N-OD2 3.13Å; E46-D49 WeakPolarHBondContact O-CB 3.46Å; E46-D49 PolarHBondContact O-N 3.21Å; D49-G52 PolarHBondContact O-N 3.04Å; D49-K53 PolarHBondContact O-N 3.15Å |
| 50 | L | 95.5 | Very high | 92.9 | Very high | 1 Ų | 1 | 56.8 Ų | 56.8 | 1% | 0.005 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -56.5 | -40.7 | -176.1 | -68.4 | 177 | 0 | 0 | 0 | 114.6 | V40 L42 C45 G52 K53 A54 F63 V148 | V40-L50 HydrophobicContact CG1-CD2 4.32Å; V40-L50 HydrophobicContact CG2-CD2 4.16Å; L42-L50 HydrophobicContact CD2-CD1 3.84Å; L42-L50 HydrophobicContact CD2-CD2 3.92Å; C45-L50 HydrophobicContact CB-CD2 3.59Å; C45-L50 HydrophobicContact CB-CG 4.16Å; L50-G52 PolarHBondContact O-N 2.94Å; L50-K53 HydrophobicContact CD2-CD 4.47Å; L50-K53 WeakPolarHBondContact O-CA 3.12Å; L50-K53 PolarHBondContact O-N 3.48Å; L50-A54 PolarHBondContact O-N 2.96Å; L50-A54 VanDerWaalsContact O-N 3.14Å; L50-F63 HydrophobicContact CB-CE2 3.98Å; L50-F63 HydrophobicContact CB-CZ 3.79Å; L50-F63 HydrophobicContact CD1-CE2 4.39Å; L50-F63 HydrophobicContact CD2-CE1 4.44Å; L50-F63 HydrophobicContact CD2-CE2 4.33Å; L50-F63 HydrophobicContact CD2-CZ 4.19Å; L50-F63 HydrophobicContact CG-CE2 4.47Å; L50-F63 HydrophobicContact CG-CZ 4.49Å; L50-F63 VanDerWaalsContact O-CZ 3.32Å; L50-F63 WeakPolarHBondContact O-CZ 3.49Å; L50-V148 HydrophobicContact CD1-CB 4.34Å; L50-V148 HydrophobicContact CD1-CG1 4.07Å; L50-V148 HydrophobicContact CD1-CG2 3.99Å |
| 51 | P | 95.5 | Very high | 93.1 | Very high | 41 Ų | 41 | 56.9 Ų | 56.9 | 27% | 0.266 | 31% | 0.308 | S | S | . | . | G | 310 helix | trans | -53.7 | -36 | 173.4 | -27.7 | 35.6 | 0 | 0 | 0 | 114 | W48 K53 W61 W123 | W48-P51 WeakPolarHBondContact O-CD 3.49Å; P51-K53 VanDerWaalsContact C-N 3.28Å; P51-K53 PolarHBondContact O-N 3.3Å; P51-W61 HydrophobicContact CB-CD2 4.08Å; P51-W61 HydrophobicContact CB-CH2 4.23Å; P51-W61 HydrophobicContact CB-CZ2 3.73Å; P51-W61 HydrophobicContact CG-CD2 3.97Å; P51-W61 HydrophobicContact CG-CE3 3.91Å; P51-W61 HydrophobicContact CG-CH2 3.78Å; P51-W61 HydrophobicContact CG-CZ2 3.8Å; P51-W61 HydrophobicContact CG-CZ3 3.84Å; P51-W123 HydrophobicContact CG-CH2 3.99Å; P51-W123 HydrophobicContact CG-CZ3 4.42Å |
| 52 | G | 95.3 | Very high | 93.4 | Very high | 77 Ų | 77 | 54.5 Ų | 54.5 | 79% | 0.794 | 30% | 0.295 | S | S | * | . | G | 310 helix | trans | -81.2 | -1.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | D49 L50 | D49-G52 PolarHBondContact O-N 3.04Å; L50-G52 PolarHBondContact O-N 2.94Å |
| 53 | K | 95.1 | Very high | 93.7 | Very high | 107 Ų | 107 | 53.8 Ų | 53.8 | 47% | 0.465 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -110.8 | -6.4 | 175.7 | -66.3 | 174.8 | 177.5 | -69.7 | 0 | 112.7 | V40 C45 D49 L50 P51 F63 | V40-K53 HydrophobicContact CG2-CD 4.04Å; C45-K53 HydrophobicContact CB-CD 4.47Å; C45-K53 VanDerWaalsContact SG-CE 3.52Å; D49-K53 PolarHBondContact O-N 3.15Å; L50-K53 HydrophobicContact CD2-CD 4.47Å; L50-K53 WeakPolarHBondContact O-CA 3.12Å; L50-K53 PolarHBondContact O-N 3.48Å; P51-K53 VanDerWaalsContact C-N 3.28Å; P51-K53 PolarHBondContact O-N 3.3Å; K53-F63 HydrophobicContact CB-CE1 4.36Å |
| 54 | A | 94.9 | Very high | 94.3 | Very high | 23 Ų | 23 | 52.4 Ų | 52.4 | 19% | 0.19 | 28% | 0.283 | C | S | . | . | trans | -79 | 144 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | L50 M56 W61 F63 | L50-A54 PolarHBondContact O-N 2.96Å; L50-A54 VanDerWaalsContact O-N 3.14Å; A54-M56 VanDerWaalsContact C-N 3.33Å; A54-W61 HydrophobicContact CB-CB 3.83Å; A54-W61 HydrophobicContact CB-CG 3.86Å; A54-F63 HydrophobicContact CB-CE1 4.03Å; A54-F63 HydrophobicContact CB-CZ 3.91Å | ||
| 55 | S | 91 | Very high | 94.6 | Very high | 65 Ų | 65 | 44.7 Ų | 44.7 | 46% | 0.455 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -71.6 | -29.5 | 172.3 | 54 | 0 | 0 | 0 | 0 | 112.5 | R35 | R35-S55 WeakPolarHBondContact O-CB 3.48Å; R35-S55 PolarHBondContact O-OG 2.68Å |
| 56 | M | 90.9 | Very high | 94.5 | Very high | 36 Ų | 36 | 48.5 Ų | 48.5 | 18% | 0.177 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -160.2 | 171 | 172.3 | 66.1 | -165.3 | -54.8 | 0 | 0 | 112.1 | E2 R35 A36 A54 W323 | E2-M56 VanDerWaalsContact CD-CE 3.47Å; E2-M56 HydrophobicContact CG-CE 3.87Å; E2-M56 WeakPolarHBondContact OE2-CE 3.41Å; R35-M56 HydrophobicContact CG-SD 4.41Å; A36-M56 HydrophobicContact CB-SD 4.17Å; A54-M56 VanDerWaalsContact C-N 3.33Å; M56-W323 HydrophobicContact CE-CH2 3.93Å; M56-W323 HydrophobicContact CE-CZ3 3.61Å; M56-W323 HydrophobicContact SD-CH2 3.66Å; M56-W323 HydrophobicContact SD-CZ3 3.96Å |
| 57 | G | 89.2 | Confident | 94.1 | Very high | 45 Ų | 45 | 49.6 Ų | 49.6 | 46% | 0.464 | 27% | 0.272 | S | S | . | . | trans | 120.1 | 142.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | E60 W61 | G57-E60 WeakPolarHBondContact CA-O 3.44Å; G57-W61 PolarHBondContact O-NE1 3.45Å | ||
| 58 | E | 89.9 | Confident | 93.4 | Very high | 123 Ų | 123 | 52.9 Ų | 52.9 | 58% | 0.575 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -109.1 | -43.4 | -177.7 | -70.9 | 165.2 | -151.9 | 0 | 0 | 113.7 | R10 W61 | R10-E58 IonicContact CZ-OE1 2.68Å; R10-E58 IonicContact CZ-OE2 2.78Å; R10-E58 IonicContact NH1-OE1 3.15Å; R10-E58 PolarHBondContact NH1-OE1 3.22Å; R10-E58 IonicContact NH1-OE2 3.08Å; R10-E58 PolarHBondContact NH1-OE2 3.26Å; R10-E58 IonicContact NH2-OE1 2.73Å; R10-E58 PolarHBondContact NH2-OE1 2.63Å; R10-E58 IonicContact NH2-OE2 3.31Å; R10-E58 PolarHBondContact NH2-OE2 3.4Å; E58-W61 WeakPolarHBondContact O-CZ2 3.33Å |
| 59 | K | 92.6 | Very high | 92.5 | Very high | 163 Ų | 163 | 50.5 Ų | 50.5 | 71% | 0.709 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -112.7 | -17.8 | -175.2 | -59.8 | 179 | -175.3 | 174.4 | 0 | 112 | F149 | K59-F149 WeakPolarHBondContact O-CB 3.48Š|
| 60 | E | 95.6 | Very high | 91.5 | Very high | 35 Ų | 35 | 51.9 Ų | 51.9 | 16% | 0.164 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 152.1 | -179 | 59.8 | 178.9 | -146.1 | 0 | 0 | 109.7 | G57 Y62 R147 V148 F149 | G57-E60 WeakPolarHBondContact CA-O 3.44Å; E60-Y62 HydrophobicContact CG-CE2 4.06Å; E60-Y62 PolarHBondContact OE1-OH 2.98Å; E60-R147 VanDerWaalsContact CD-NE 3.32Å; E60-R147 IonicContact OE1-CZ 3.34Å; E60-R147 VanDerWaalsContact OE1-CZ 3.24Å; E60-R147 IonicContact OE1-NE 3.44Å; E60-R147 PolarHBondContact OE1-NE 2.87Å; E60-R147 IonicContact OE1-NH2 2.9Å; E60-R147 PolarHBondContact OE1-NH2 2.96Å; E60-R147 IonicContact OE2-CZ 2.7Å; E60-R147 IonicContact OE2-NE 3.06Å; E60-R147 PolarHBondContact OE2-NE 3.08Å; E60-R147 IonicContact OE2-NH2 3.49Å; E60-R147 PolarHBondContact OE2-NH2 2.68Å; E60-V148 CarbonylContact C-O 3.57Å; E60-V148 VanDerWaalsContact CA-O 3.29Å; E60-V148 WeakPolarHBondContact CA-O 3.4Å; E60-F149 HydrophobicContact CB-CB 3.79Å |
| 61 | W | 97.2 | Very high | 90.7 | Very high | 24 Ų | 24 | 57.8 Ų | 57.8 | 9% | 0.091 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 144.5 | -171.2 | -55.6 | -79.3 | 0 | 0 | 0 | 109.8 | P51 A54 G57 E58 F63 W123 R147 V148 | P51-W61 HydrophobicContact CB-CD2 4.08Å; P51-W61 HydrophobicContact CB-CH2 4.23Å; P51-W61 HydrophobicContact CB-CZ2 3.73Å; P51-W61 HydrophobicContact CG-CD2 3.97Å; P51-W61 HydrophobicContact CG-CE3 3.91Å; P51-W61 HydrophobicContact CG-CH2 3.78Å; P51-W61 HydrophobicContact CG-CZ2 3.8Å; P51-W61 HydrophobicContact CG-CZ3 3.84Å; A54-W61 HydrophobicContact CB-CB 3.83Å; A54-W61 HydrophobicContact CB-CG 3.86Å; G57-W61 PolarHBondContact O-NE1 3.45Å; E58-W61 WeakPolarHBondContact O-CZ2 3.33Å; W61-F63 HydrophobicContact CB-CE2 3.63Å; W61-F63 HydrophobicContact CB-CZ 3.72Å; W61-W123 HydrophobicContact CE3-CZ3 4.46Å; W61-W123 HydrophobicContact CZ3-CH2 4.28Å; W61-W123 AromaticContact CZ3-CZ3 3.81Å; W61-W123 HydrophobicContact CZ3-CZ3 3.81Å; W61-R147 CarbonylContact O-C 3.58Å; W61-R147 WeakPolarHBondContact O-CA 3.49Å; W61-V148 PolarHBondContact N-O 2.88Å; W61-V148 PolarHBondContact O-N 2.93Å |
| 62 | Y | 97.9 | Very high | 89.6 | Confident | 7 Ų | 7 | 61.2 Ų | 61.2 | 3% | 0.027 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 133.8 | -173 | -66.4 | -101.8 | 0 | 0 | 0 | 110.5 | F11 P13 L18 I37 A38 E60 C146 R147 | F11-Y62 AromaticContact CD1-CD2 3.68Å; F11-Y62 HydrophobicContact CD1-CD2 3.68Å; F11-Y62 AromaticContact CD1-CE2 3.75Å; F11-Y62 HydrophobicContact CD1-CE2 3.75Å; F11-Y62 HydrophobicContact CD1-CG 4.13Å; F11-Y62 AromaticContact CE1-CD1 3.88Å; F11-Y62 HydrophobicContact CE1-CD1 3.88Å; F11-Y62 AromaticContact CE1-CD2 3.73Å; F11-Y62 HydrophobicContact CE1-CD2 3.73Å; F11-Y62 HydrophobicContact CE1-CE1 4.11Å; F11-Y62 HydrophobicContact CE1-CE2 4Å; F11-Y62 AromaticContact CE1-CG 3.68Å; F11-Y62 HydrophobicContact CE1-CG 3.68Å; P13-Y62 HydrophobicContact CG-CE1 3.8Å; L18-Y62 HydrophobicContact CD1-CE1 4.05Å; L18-Y62 HydrophobicContact CD2-CD1 3.94Å; L18-Y62 HydrophobicContact CD2-CE1 3.94Å; I37-Y62 WeakPolarHBondContact CA-O 3.32Å; A38-Y62 PolarHBondContact N-O 2.96Å; E60-Y62 HydrophobicContact CG-CE2 4.06Å; E60-Y62 PolarHBondContact OE1-OH 2.98Å; Y62-C146 WeakPolarHBondContact CA-O 3.37Å; Y62-R147 HydrophobicContact CD1-CB 3.87Å; Y62-R147 HydrophobicContact CD1-CG 4.15Å; Y62-R147 HydrophobicContact CE1-CB 3.72Å; Y62-R147 HydrophobicContact CE1-CG 3.62Å; Y62-R147 HydrophobicContact CE2-CG 4.32Å; Y62-R147 VanDerWaalsContact OH-CD 3.31Å; Y62-R147 WeakPolarHBondContact OH-CD 3.25Å; Y62-R147 PolarHBondContact OH-NE 2.94Å; Y62-R147 VanDerWaalsContact OH-NE 3.11Å; Y62-R147 PolarHBondContact OH-NH1 2.91Å |
| 63 | F | 97.6 | Very high | 88.7 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 148.4 | -178.4 | -52 | -85.3 | 0 | 0 | 0 | 112.6 | A38 V40 L50 K53 A54 W61 V145 C146 V148 | A38-F63 HydrophobicContact CB-CD1 4.25Å; A38-F63 CarbonylContact O-C 3.55Å; A38-F63 WeakPolarHBondContact O-CA 3.5Å; A38-F63 WeakPolarHBondContact O-CB 3.12Å; V40-F63 HydrophobicContact CB-CB 4.42Å; V40-F63 HydrophobicContact CB-CD1 3.93Å; V40-F63 HydrophobicContact CB-CG 4.4Å; V40-F63 HydrophobicContact CG1-CB 3.6Å; V40-F63 HydrophobicContact CG1-CD1 3.73Å; V40-F63 HydrophobicContact CG1-CG 3.71Å; L50-F63 HydrophobicContact CB-CE2 3.98Å; L50-F63 HydrophobicContact CB-CZ 3.79Å; L50-F63 HydrophobicContact CD1-CE2 4.39Å; L50-F63 HydrophobicContact CD2-CE1 4.44Å; L50-F63 HydrophobicContact CD2-CE2 4.33Å; L50-F63 HydrophobicContact CD2-CZ 4.19Å; L50-F63 HydrophobicContact CG-CE2 4.47Å; L50-F63 HydrophobicContact CG-CZ 4.49Å; L50-F63 VanDerWaalsContact O-CZ 3.32Å; L50-F63 WeakPolarHBondContact O-CZ 3.49Å; K53-F63 HydrophobicContact CB-CE1 4.36Å; A54-F63 HydrophobicContact CB-CE1 4.03Å; A54-F63 HydrophobicContact CB-CZ 3.91Å; W61-F63 HydrophobicContact CB-CE2 3.63Å; W61-F63 HydrophobicContact CB-CZ 3.72Å; F63-V145 CarbonylContact O-C 3.58Å; F63-V145 WeakPolarHBondContact O-CA 3.07Å; F63-C146 PolarHBondContact N-O 3.17Å; F63-C146 PolarHBondContact O-N 2.85Å; F63-V148 HydrophobicContact CD2-CG2 4.38Å; F63-V148 HydrophobicContact CE2-CB 4.41Å; F63-V148 HydrophobicContact CE2-CG2 4.41Å |
| 64 | F | 96.8 | Very high | 87.8 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 135.1 | 156.8 | -65.8 | -65.5 | 0 | 0 | 0 | 108.4 | K26 F32 T34 I37 A38 D39 V40 W143 V144 V145 | K26-F64 HydrophobicContact CB-CD1 3.9Å; K26-F64 HydrophobicContact CB-CE1 3.58Å; K26-F64 HydrophobicContact CB-CE2 4.49Å; K26-F64 HydrophobicContact CB-CG 4.48Å; K26-F64 HydrophobicContact CB-CZ 3.93Å; K26-F64 HydrophobicContact CD-CD2 4.23Å; K26-F64 HydrophobicContact CD-CE2 4.4Å; K26-F64 HydrophobicContact CD-CG 4.33Å; K26-F64 HydrophobicContact CG-CB 4.42Å; K26-F64 HydrophobicContact CG-CD1 3.71Å; K26-F64 HydrophobicContact CG-CD2 4.23Å; K26-F64 HydrophobicContact CG-CE1 3.92Å; K26-F64 HydrophobicContact CG-CE2 4.41Å; K26-F64 HydrophobicContact CG-CG 3.88Å; K26-F64 HydrophobicContact CG-CZ 4.27Å; F32-F64 HydrophobicContact CD1-CE2 4.43Å; F32-F64 HydrophobicContact CD1-CZ 4.2Å; F32-F64 HydrophobicContact CE1-CE2 4.4Å; F32-F64 AromaticContact CE1-CZ 3.98Å; F32-F64 HydrophobicContact CE1-CZ 3.98Å; T34-F64 HydrophobicContact CG2-CE2 4.17Å; I37-F64 HydrophobicContact CB-CD2 4.06Å; I37-F64 HydrophobicContact CB-CE2 3.75Å; I37-F64 HydrophobicContact CB-CZ 4.19Å; I37-F64 HydrophobicContact CD1-CE1 4.5Å; I37-F64 HydrophobicContact CD1-CZ 4.14Å; I37-F64 HydrophobicContact CG2-CD1 4.14Å; I37-F64 HydrophobicContact CG2-CD2 3.5Å; I37-F64 HydrophobicContact CG2-CE1 4.24Å; I37-F64 HydrophobicContact CG2-CE2 3.63Å; I37-F64 HydrophobicContact CG2-CG 3.77Å; I37-F64 HydrophobicContact CG2-CZ 4Å; A38-F64 PolarHBondContact O-N 3.5Å; D39-F64 WeakPolarHBondContact OD1-CB 3.4Å; D39-F64 WeakPolarHBondContact OD1-CD2 3.36Å; V40-F64 PolarHBondContact N-O 3.39Å; F64-W143 HydrophobicContact CB-CE3 3.85Å; F64-W143 HydrophobicContact CB-CZ3 3.83Å; F64-V144 WeakPolarHBondContact CA-O 3.49Å; F64-V145 HydrophobicContact CD1-CG2 3.56Å; F64-V145 HydrophobicContact CE1-CG2 3.43Å; F64-V145 VanDerWaalsContact CE1-CG2 3.43Å |
| 65 | S | 94.5 | Very high | 86.8 | Confident | 5 Ų | 5 | 65.7 Ų | 65.7 | 4% | 0.035 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 137.8 | 172.9 | -178.1 | 0 | 0 | 0 | 0 | 109.4 | V40 W143 V144 | V40-S65 WeakPolarHBondContact O-CA 3.47Å; V40-S65 WeakPolarHBondContact O-CB 3.26Å; V40-S65 PolarHBondContact O-OG 3.2Å; S65-W143 WeakPolarHBondContact O-CA 3.48Å; S65-V144 PolarHBondContact N-O 3.46Å; S65-V144 WeakPolarHBondContact O-CG2 3.34Å; S65-V144 PolarHBondContact O-N 3.25Å |
| 66 | M | 91.1 | Very high | 86.3 | Confident | 87 Ų | 87 | 70.4 Ų | 70.4 | 43% | 0.429 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 139.6 | 161.5 | -66.2 | -178.5 | 71.7 | 0 | 0 | 108.8 | D68 D141 W143 | M66-D68 PolarHBondContact O-N 3.33Å; M66-D141 HydrophobicContact CE-CB 3.89Å; M66-W143 HydrophobicContact CG-CD2 4.05Å; M66-W143 HydrophobicContact CG-CE3 3.99Å; M66-W143 HydrophobicContact CG-CH2 3.93Å; M66-W143 HydrophobicContact CG-CZ2 3.96Å; M66-W143 HydrophobicContact CG-CZ3 3.94Å; M66-W143 HydrophobicContact SD-CZ2 4.46Å |
| 67 | R | 86.6 | Confident | 86 | Confident | 40 Ų | 40 | 69.7 Ų | 69.7 | 15% | 0.151 | 35% | 0.349 | C | S | . | . | trans | -88.9 | 86 | -175.4 | -170.2 | -166.7 | 69.2 | -159.1 | -14.7 | 112 | T77 E142 V144 | R67-T77 HydrophobicContact CG-CG2 3.58Å; R67-E142 WeakPolarHBondContact CB-O 3.43Å; R67-E142 IonicContact CZ-OE1 2.75Å; R67-E142 IonicContact CZ-OE2 3.38Å; R67-E142 PolarHBondContact N-O 2.9Å; R67-E142 IonicContact NH1-OE1 3.42Å; R67-E142 PolarHBondContact NH1-OE1 2.99Å; R67-E142 IonicContact NH1-OE2 3.19Å; R67-E142 PolarHBondContact NH1-OE2 2.84Å; R67-E142 VanDerWaalsContact NH2-CD 3.33Å; R67-E142 IonicContact NH2-OE1 2.69Å; R67-E142 IonicContact NH2-OE2 3.42Å; R67-E142 PolarHBondContact NH2-OE2 2.9Å; R67-V144 HydrophobicContact CB-CG1 4.35Å | ||
| 68 | D | 81.4 | Confident | 85.7 | Confident | 69 Ų | 69 | 69.8 Ų | 69.8 | 37% | 0.369 | 34% | 0.339 | S | S | . | . | trans | -52.9 | 138.9 | 175.6 | -176.2 | 26 | 0 | 0 | 0 | 112.7 | N43 M66 T77 N78 | N43-D68 WeakPolarHBondContact ND2-CB 3.16Å; M66-D68 PolarHBondContact O-N 3.33Å; D68-T77 CarbonylContact O-C 3.49Å; D68-T77 VanDerWaalsContact O-CA 3.23Å; D68-T77 WeakPolarHBondContact O-CA 3.35Å; D68-T77 VanDerWaalsContact O-CG2 3.25Å; D68-T77 WeakPolarHBondContact O-CG2 3.45Å; D68-N78 HydrophobicContact CB-CB 4.12Å; D68-N78 PolarHBondContact O-N 3.49Å; D68-N78 WeakPolarHBondContact OD2-CB 3.25Å; D68-N78 PolarHBondContact OD2-ND2 3.47Å | ||
| 69 | R | 77 | Confident | 85.7 | Confident | 45 Ų | 45 | 66.2 Ų | 66.2 | 17% | 0.17 | 32% | 0.321 | C | S | . | . | B | Isolated β-bridge | trans | -108 | 128.7 | -179.4 | -52.5 | -178 | -166.1 | -175.6 | -1.8 | 109.6 | Y71 P72 P138 S139 | R69-Y71 WeakPolarHBondContact CB-O 3.49Å; R69-Y71 PolarHBondContact O-N 2.92Å; R69-P72 PolarHBondContact NH1-O 3.21Å; R69-P138 VanDerWaalsContact NH2-C 3.25Å; R69-P138 PolarHBondContact NH2-O 2.78Å; R69-S139 PolarHBondContact NH2-O 2.93Å |
| 70 | K | 76.8 | Confident | 85.7 | Confident | 96 Ų | 96 | 61 Ų | 61 | 42% | 0.417 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -58.3 | -24.2 | 175.2 | -159.2 | -164.5 | 174.1 | -149.6 | 0 | 112.9 | R76 | K70-R76 HydrophobicContact CB-CG 4.44Å; K70-R76 VanDerWaalsContact CB-O 3.32Å; K70-R76 WeakPolarHBondContact CB-O 3.36Å; K70-R76 PolarHBondContact N-O 3.28Å |
| 71 | Y | 78.3 | Confident | 85.6 | Confident | 125 Ų | 125 | 59.8 Ų | 59.8 | 49% | 0.49 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -142.3 | 140.5 | 174 | -53 | -72.9 | 0 | 0 | 0 | 109.1 | R69 T73 G74 | R69-Y71 WeakPolarHBondContact CB-O 3.49Å; R69-Y71 PolarHBondContact O-N 2.92Å; Y71-T73 VanDerWaalsContact C-N 3.27Å; Y71-T73 PolarHBondContact O-N 2.71Å; Y71-T73 VanDerWaalsContact O-N 3.15Å; Y71-G74 PolarHBondContact O-N 2.71Å |
| 72 | P | 72.2 | Confident | 85.5 | Confident | 113 Ų | 113 | 65.5 Ų | 65.5 | 73% | 0.734 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -38.9 | -175.7 | -29.2 | 35.8 | 0 | 0 | 0 | 114.4 | R69 | R69-P72 PolarHBondContact NH1-O 3.21Š|
| 73 | T | 76.2 | Confident | 85.4 | Confident | 136 Ų | 136 | 66.5 Ų | 66.5 | 83% | 0.834 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | -6.8 | 178.1 | 50 | 0 | 0 | 0 | 0 | 114.1 | Y71 | Y71-T73 VanDerWaalsContact C-N 3.27Å; Y71-T73 PolarHBondContact O-N 2.71Å; Y71-T73 VanDerWaalsContact O-N 3.15Å |
| 74 | G | 75.5 | Confident | 85.3 | Confident | 17 Ų | 17 | 66.6 Ų | 66.6 | 18% | 0.175 | 34% | 0.344 | C | S | . | . | trans | -94.7 | 140.5 | -170.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y71 R76 | Y71-G74 PolarHBondContact O-N 2.71Å; G74-R76 PolarHBondContact O-N 3.41Å | ||
| 75 | I | 75.2 | Confident | 85.3 | Confident | 148 Ų | 148 | 68.1 Ų | 68.1 | 76% | 0.759 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -72.5 | -4.6 | 173.1 | 64.6 | 170.5 | 0 | 0 | 0 | 113.9 | T77 | I75-T77 PolarHBondContact O-N 2.74Š|
| 76 | R | 79.9 | Confident | 85.4 | Confident | 165 Ų | 165 | 68.7 Ų | 68.7 | 62% | 0.623 | 35% | 0.351 | S | S | * | . | trans | -84.9 | 109.7 | -177.2 | -178.1 | 172.9 | 179.4 | 162.7 | 1.8 | 110.4 | K70 G74 | K70-R76 HydrophobicContact CB-CG 4.44Å; K70-R76 VanDerWaalsContact CB-O 3.32Å; K70-R76 WeakPolarHBondContact CB-O 3.36Å; K70-R76 PolarHBondContact N-O 3.28Å; G74-R76 PolarHBondContact O-N 3.41Å | ||
| 77 | T | 84.1 | Confident | 85.6 | Confident | 20 Ų | 20 | 69.7 Ų | 69.7 | 12% | 0.123 | 35% | 0.354 | C | S | . | . | B | Isolated β-bridge | trans | -54.4 | 141.3 | 171 | -30.7 | 0 | 0 | 0 | 0 | 111.6 | R67 D68 I75 R79 | R67-T77 HydrophobicContact CG-CG2 3.58Å; D68-T77 CarbonylContact O-C 3.49Å; D68-T77 VanDerWaalsContact O-CA 3.23Å; D68-T77 WeakPolarHBondContact O-CA 3.35Å; D68-T77 VanDerWaalsContact O-CG2 3.25Å; D68-T77 WeakPolarHBondContact O-CG2 3.45Å; I75-T77 PolarHBondContact O-N 2.74Å; T77-R79 VanDerWaalsContact CB-CZ 3.41Å; T77-R79 VanDerWaalsContact CB-NH1 3.33Å; T77-R79 HydrophobicContact CG2-CG 4.36Å; T77-R79 VanDerWaalsContact OG1-CZ 3.3Å; T77-R79 PolarHBondContact OG1-NH1 2.78Å; T77-R79 PolarHBondContact OG1-NH2 2.7Å |
| 78 | N | 84.3 | Confident | 86 | Confident | 47 Ų | 47 | 71.2 Ų | 71.2 | 25% | 0.251 | 37% | 0.367 | S | S | . | . | trans | -70.6 | 142.2 | 162.3 | -171.3 | 12.7 | 0 | 0 | 0 | 109.5 | N43 D68 A80 | N43-N78 PolarHBondContact OD1-O 3.1Å; D68-N78 HydrophobicContact CB-CB 4.12Å; D68-N78 PolarHBondContact O-N 3.49Å; D68-N78 WeakPolarHBondContact OD2-CB 3.25Å; D68-N78 PolarHBondContact OD2-ND2 3.47Å; N78-A80 PolarHBondContact OD1-N 3.03Å | ||
| 79 | R | 89.3 | Confident | 86.7 | Confident | 49 Ų | 49 | 71.4 Ų | 71.4 | 19% | 0.185 | 37% | 0.371 | C | S | . | . | trans | -154.7 | 16.6 | -172.4 | -73.2 | -159.5 | -177.2 | 91.9 | -0.4 | 113.3 | T77 Y85 W86 E127 | T77-R79 VanDerWaalsContact CB-CZ 3.41Å; T77-R79 VanDerWaalsContact CB-NH1 3.33Å; T77-R79 HydrophobicContact CG2-CG 4.36Å; T77-R79 VanDerWaalsContact OG1-CZ 3.3Å; T77-R79 PolarHBondContact OG1-NH1 2.78Å; T77-R79 PolarHBondContact OG1-NH2 2.7Å; R79-Y85 CarbonylContact O-C 3.57Å; R79-Y85 VanDerWaalsContact O-CA 3.25Å; R79-Y85 WeakPolarHBondContact O-CA 3.33Å; R79-Y85 WeakPolarHBondContact O-CB 3.29Å; R79-W86 HydrophobicContact CB-CB 4.13Å; R79-W86 HydrophobicContact CG-CB 4.43Å; R79-W86 PolarHBondContact O-N 2.66Å; R79-E127 IonicContact CZ-OE2 2.85Å; R79-E127 IonicContact NE-OE2 2.72Å; R79-E127 PolarHBondContact NE-OE2 3.02Å; R79-E127 IonicContact NH2-OE1 2.71Å; R79-E127 PolarHBondContact NH2-OE1 3.46Å; R79-E127 IonicContact NH2-OE2 2.7Å; R79-E127 PolarHBondContact NH2-OE2 2.84Å | ||
| 80 | A | 93.2 | Very high | 87.7 | Confident | 53 Ų | 53 | 72.8 Ų | 72.8 | 44% | 0.438 | 40% | 0.4 | S | S | . | . | B | Isolated β-bridge | trans | -93.7 | 146.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | N78 | N78-A80 PolarHBondContact OD1-N 3.03Å |
| 81 | T | 93.6 | Very high | 88.6 | Confident | 10 Ų | 10 | 76 Ų | 76 | 6% | 0.061 | 41% | 0.414 | C | S | . | . | trans | -121.2 | 177.5 | 169.7 | 66 | 0 | 0 | 0 | 0 | 109 | E46 S83 G84 F110 R114 | E46-T81 VanDerWaalsContact CD-OG1 3.24Å; E46-T81 WeakPolarHBondContact OE1-CB 3.18Å; E46-T81 PolarHBondContact OE1-OG1 3.48Å; E46-T81 WeakPolarHBondContact OE2-CB 3.39Å; E46-T81 PolarHBondContact OE2-OG1 3.06Å; T81-S83 VanDerWaalsContact C-N 3.32Å; T81-S83 PolarHBondContact O-N 3.02Å; T81-G84 PolarHBondContact N-O 3.04Å; T81-G84 PolarHBondContact OG1-N 3.01Å; T81-G84 VanDerWaalsContact OG1-N 3.11Å; T81-G84 PolarHBondContact OG1-O 3.22Å; T81-F110 HydrophobicContact CG2-CE2 4.08Å; T81-F110 WeakPolarHBondContact OG1-CE2 3.03Å; T81-F110 WeakPolarHBondContact OG1-CZ 3.23Å; T81-R114 PolarHBondContact O-NH1 3.14Å | ||
| 82 | D | 93.7 | Very high | 89.5 | Confident | 143 Ų | 143 | 71.8 Ų | 71.8 | 77% | 0.765 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -64.7 | -38.6 | 178.3 | -74.1 | -39.9 | 0 | 0 | 0 | 111.5 | E46 R114 | E46-D82 PolarHBondContact OE1-N 3.48Å; E46-D82 VanDerWaalsContact OE1-N 3.11Å; D82-R114 PolarHBondContact O-NH1 3.07Å; D82-R114 PolarHBondContact O-NH2 2.95Å |
| 83 | S | 95.7 | Very high | 90.7 | Very high | 28 Ų | 28 | 71.7 Ų | 71.7 | 20% | 0.196 | 39% | 0.387 | C | S | . | . | S | Bend | trans | -89.4 | -19.9 | -179.6 | 97.8 | 0 | 0 | 0 | 0 | 114.7 | E46 W48 T81 G113 | E46-S83 VanDerWaalsContact CD-CB 3.44Å; E46-S83 WeakPolarHBondContact OE1-CB 3.42Å; E46-S83 PolarHBondContact OE1-N 2.77Å; E46-S83 PolarHBondContact OE1-OG 2.9Å; E46-S83 WeakPolarHBondContact OE2-CB 3.45Å; E46-S83 PolarHBondContact OE2-OG 2.75Å; W48-S83 WeakPolarHBondContact CH2-OG 3.41Å; T81-S83 VanDerWaalsContact C-N 3.32Å; T81-S83 PolarHBondContact O-N 3.02Å; S83-G113 PolarHBondContact O-N 3.2Å |
| 84 | G | 96.4 | Very high | 91.7 | Very high | 2 Ų | 2 | 69 Ų | 69 | 2% | 0.021 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -173 | -147.8 | -168 | 0 | 0 | 0 | 0 | 0 | 116.1 | T81 Y111 | T81-G84 PolarHBondContact N-O 3.04Å; T81-G84 PolarHBondContact OG1-N 3.01Å; T81-G84 VanDerWaalsContact OG1-N 3.11Å; T81-G84 PolarHBondContact OG1-O 3.22Å; G84-Y111 CarbonylContact C-O 3.57Å; G84-Y111 WeakPolarHBondContact CA-O 3.37Å |
| 85 | Y | 95.9 | Very high | 92.8 | Very high | 32 Ų | 32 | 68.6 Ų | 68.6 | 13% | 0.125 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.2 | 150.1 | 178.7 | 60 | -80.8 | 0 | 0 | 0 | 113.5 | R79 K87 Y111 G113 A115 P116 G118 | R79-Y85 CarbonylContact O-C 3.57Å; R79-Y85 VanDerWaalsContact O-CA 3.25Å; R79-Y85 WeakPolarHBondContact O-CA 3.33Å; R79-Y85 WeakPolarHBondContact O-CB 3.29Å; Y85-K87 HydrophobicContact CD2-CB 4.38Å; Y85-K87 HydrophobicContact CE2-CB 4.23Å; Y85-Y111 HydrophobicContact CE2-CD2 4.38Å; Y85-Y111 HydrophobicContact CE2-CG 4.02Å; Y85-Y111 VanDerWaalsContact CZ-CB 3.48Å; Y85-Y111 AromaticContact CZ-CG 3.97Å; Y85-Y111 PolarHBondContact N-O 2.94Å; Y85-Y111 PolarHBondContact O-N 2.87Å; Y85-G113 VanDerWaalsContact CD1-O 3.31Å; Y85-G113 WeakPolarHBondContact CD1-O 3.28Å; Y85-G113 VanDerWaalsContact CE1-O 3.28Å; Y85-G113 WeakPolarHBondContact CE1-O 3.48Å; Y85-A115 HydrophobicContact CD1-CB 3.88Å; Y85-A115 HydrophobicContact CD2-CB 4.35Å; Y85-A115 VanDerWaalsContact CE1-CA 3.44Å; Y85-A115 HydrophobicContact CE1-CB 3.58Å; Y85-A115 HydrophobicContact CE2-CB 4.08Å; Y85-A115 HydrophobicContact CG-CB 4.26Å; Y85-P116 PolarHBondContact OH-O 2.84Å; Y85-G118 PolarHBondContact OH-N 3.15Å |
| 86 | W | 96.6 | Very high | 93.9 | Very high | 17 Ų | 17 | 66 Ų | 66 | 6% | 0.064 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 121.4 | 171 | -65.1 | 96.8 | 0 | 0 | 0 | 111.3 | P47 R79 L108 F110 W123 M125 V148 | P47-W86 HydrophobicContact CB-CH2 3.82Å; P47-W86 HydrophobicContact CB-CZ2 3.72Å; P47-W86 HydrophobicContact CG-CZ2 4.36Å; R79-W86 HydrophobicContact CB-CB 4.13Å; R79-W86 HydrophobicContact CG-CB 4.43Å; R79-W86 PolarHBondContact O-N 2.66Å; W86-L108 HydrophobicContact CB-CB 4.46Å; W86-L108 HydrophobicContact CB-CD2 4.12Å; W86-L108 HydrophobicContact CE3-CB 4.09Å; W86-F110 HydrophobicContact CD2-CB 4.16Å; W86-F110 AromaticContact CD2-CD2 3.87Å; W86-F110 HydrophobicContact CD2-CD2 3.87Å; W86-F110 AromaticContact CE2-CD2 3.76Å; W86-F110 HydrophobicContact CE3-CB 3.82Å; W86-F110 HydrophobicContact CE3-CD2 4.4Å; W86-F110 HydrophobicContact CG-CD2 4.11Å; W86-F110 HydrophobicContact CH2-CB 4.07Å; W86-F110 HydrophobicContact CZ2-CB 4.38Å; W86-F110 HydrophobicContact CZ2-CD2 4.22Å; W86-F110 HydrophobicContact CZ3-CB 3.77Å; W86-F110 AromaticContact NE1-CD2 3.88Å; W86-W123 HydrophobicContact CH2-CB 4.4Å; W86-M125 HydrophobicContact CD2-CE 4.2Å; W86-M125 HydrophobicContact CE3-CB 3.95Å; W86-M125 HydrophobicContact CH2-CB 3.91Å; W86-M125 HydrophobicContact CH2-CE 3.94Å; W86-M125 HydrophobicContact CZ2-CE 3.57Å; W86-M125 HydrophobicContact CZ3-CB 3.52Å; W86-M125 HydrophobicContact CZ3-CE 4.41Å; W86-V148 HydrophobicContact CH2-CG1 4.2Å |
| 87 | K | 95.5 | Very high | 94.6 | Very high | 109 Ų | 109 | 60.5 Ų | 60.5 | 47% | 0.474 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 128.1 | 176.1 | -170.7 | -176.2 | 178.7 | -177.1 | 0 | 110.4 | Y85 L108 V109 Y111 | Y85-K87 HydrophobicContact CD2-CB 4.38Å; Y85-K87 HydrophobicContact CE2-CB 4.23Å; K87-L108 CarbonylContact O-C 3.43Å; K87-L108 VanDerWaalsContact O-CA 3.3Å; K87-L108 WeakPolarHBondContact O-CA 3.31Å; K87-V109 PolarHBondContact N-O 3.07Å; K87-V109 PolarHBondContact O-N 2.94Å; K87-Y111 HydrophobicContact CB-CD2 3.68Å; K87-Y111 HydrophobicContact CB-CE2 3.69Å; K87-Y111 HydrophobicContact CD-CD2 4.35Å; K87-Y111 HydrophobicContact CD-CE2 3.77Å; K87-Y111 HydrophobicContact CG-CE2 4.31Å |
| 88 | T | 95.9 | Very high | 95 | Very high | 71 Ų | 71 | 62.9 Ų | 62.9 | 44% | 0.436 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 144.2 | 173.6 | 51 | 0 | 0 | 0 | 0 | 112 | K106 T107 L108 | T88-K106 HydrophobicContact CG2-CD 3.8Å; T88-K106 HydrophobicContact CG2-CG 4.16Å; T88-T107 WeakPolarHBondContact CA-O 3.35Å; T88-L108 HydrophobicContact CG2-CD2 3.83Å; T88-L108 HydrophobicContact CG2-CG 4.23Å |
| 89 | T | 96.5 | Very high | 95.4 | Very high | 73 Ų | 73 | 63.7 Ų | 63.7 | 45% | 0.448 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 140 | 178.2 | -175.1 | 0 | 0 | 0 | 0 | 111.5 | T107 V109 | T89-T107 HydrophobicContact CG2-CG2 3.7Å; T89-T107 PolarHBondContact N-O 2.79Å; T89-V109 HydrophobicContact CG2-CG2 3.92Å |
| 90 | G | 96.3 | Very high | 95.5 | Very high | 75 Ų | 75 | 62.8 Ų | 62.8 | 77% | 0.773 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 75.2 | -174.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 91 | K | 96.8 | Very high | 95.7 | Very high | 164 Ų | 164 | 62.9 Ų | 62.9 | 71% | 0.713 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 147.3 | 166.2 | -169.2 | -158.2 | 166.8 | -161.2 | 0 | 108.5 | K93 E94 | K91-K93 PolarHBondContact O-N 2.85Å; K91-E94 IonicContact NZ-OE1 2.81Å; K91-E94 PolarHBondContact NZ-OE1 2.68Å |
| 92 | D | 96.9 | Very high | 95.8 | Very high | 35 Ų | 35 | 63.2 Ų | 63.2 | 19% | 0.187 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.1 | 134.5 | 164.9 | -68.3 | -3.6 | 0 | 0 | 0 | 109.6 | M104 K105 K106 R129 | D92-M104 HydrophobicContact CB-CE 3.54Å; D92-K105 CarbonylContact C-O 3.51Å; D92-K105 WeakPolarHBondContact CA-O 3.48Å; D92-K106 WeakPolarHBondContact OD1-CB 3.42Å; D92-K106 WeakPolarHBondContact OD1-CG 3.41Å; D92-K106 IonicContact OD1-NZ 2.85Å; D92-K106 PolarHBondContact OD1-NZ 3.24Å; D92-K106 IonicContact OD2-NZ 2.66Å; D92-K106 PolarHBondContact OD2-NZ 2.8Å; D92-R129 IonicContact OD2-CZ 3.46Å; D92-R129 IonicContact OD2-NH1 3.41Å; D92-R129 PolarHBondContact OD2-NH1 3.33Å; D92-R129 IonicContact OD2-NH2 3.56Å; D92-R129 PolarHBondContact OD2-NH2 2.93Å |
| 93 | K | 97.9 | Very high | 95.9 | Very high | 111 Ų | 111 | 56.4 Ų | 56.4 | 48% | 0.483 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 133.8 | 174.2 | 172.7 | -175.8 | 170.2 | -167.8 | 0 | 109.7 | D15 K91 M104 K105 | D15-K93 IonicContact OD2-NZ 2.64Å; D15-K93 PolarHBondContact OD2-NZ 2.86Å; K91-K93 PolarHBondContact O-N 2.85Å; K93-M104 CarbonylContact O-C 3.53Å; K93-M104 VanDerWaalsContact O-CA 3.31Å; K93-M104 WeakPolarHBondContact O-CA 3.17Å; K93-K105 HydrophobicContact CB-CB 4.38Å; K93-K105 PolarHBondContact N-O 2.97Å; K93-K105 PolarHBondContact O-N 2.95Å |
| 94 | E | 97.6 | Very high | 95.9 | Very high | 81 Ų | 81 | 56.1 Ų | 56.1 | 38% | 0.379 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 141.5 | 171.4 | -71 | 147.9 | -129.4 | 0 | 0 | 110.7 | K91 F96 L101 M104 | K91-E94 IonicContact NZ-OE1 2.81Å; K91-E94 PolarHBondContact NZ-OE1 2.68Å; E94-F96 HydrophobicContact CB-CD2 4.49Å; E94-F96 HydrophobicContact CB-CE2 3.64Å; E94-F96 HydrophobicContact CB-CZ 4.11Å; E94-L101 HydrophobicContact CB-CD1 3.75Å; E94-L101 HydrophobicContact CG-CD1 4.02Å; E94-M104 HydrophobicContact CB-SD 4.16Å; E94-M104 HydrophobicContact CG-CE 3.7Å; E94-M104 HydrophobicContact CG-SD 3.48Å; E94-M104 WeakPolarHBondContact CG-SD 3.4Å |
| 95 | I | 97.9 | Very high | 96 | Very high | 7 Ų | 7 | 57.3 Ų | 57.3 | 4% | 0.036 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 125.9 | -179.4 | -64.4 | 166 | 0 | 0 | 0 | 109 | D15 E16 I19 V102 G103 K105 Y128 | D15-I95 HydrophobicContact CB-CD1 3.84Å; D15-I95 HydrophobicContact CB-CG1 4.09Å; D15-I95 WeakPolarHBondContact O-CG2 3.47Å; E16-I95 HydrophobicContact CB-CG2 4.37Å; I19-I95 HydrophobicContact CD1-CB 4.14Å; I19-I95 HydrophobicContact CD1-CD1 3.6Å; I19-I95 HydrophobicContact CD1-CG1 4.47Å; I19-I95 HydrophobicContact CD1-CG2 4.14Å; I19-I95 HydrophobicContact CG1-CD1 4.48Å; I95-V102 HydrophobicContact CG2-CG2 3.98Å; I95-V102 WeakPolarHBondContact O-CG2 3.49Å; I95-V102 PolarHBondContact O-N 3.35Å; I95-G103 PolarHBondContact N-O 2.88Å; I95-G103 PolarHBondContact O-N 3.2Å; I95-K105 HydrophobicContact CD1-CB 3.64Å; I95-K105 HydrophobicContact CG1-CB 4.48Å; I95-Y128 HydrophobicContact CD1-CD1 3.75Å; I95-Y128 HydrophobicContact CD1-CE1 3.96Å |
| 96 | F | 97 | Very high | 96.1 | Very high | 95 Ų | 95 | 57 Ų | 57 | 42% | 0.417 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 151.2 | -175.9 | -61.7 | -96.6 | 0 | 0 | 0 | 110.9 | E16 E94 A100 L101 | E16-F96 WeakPolarHBondContact CG-O 3.4Å; E94-F96 HydrophobicContact CB-CD2 4.49Å; E94-F96 HydrophobicContact CB-CE2 3.64Å; E94-F96 HydrophobicContact CB-CZ 4.11Å; F96-A100 CarbonylContact C-O 3.47Å; F96-A100 WeakPolarHBondContact CA-O 3.48Å; F96-L101 HydrophobicContact CD1-CB 4.1Å; F96-L101 HydrophobicContact CE1-CB 3.87Å; F96-L101 HydrophobicContact CE1-CD1 4.17Å; F96-L101 HydrophobicContact CE2-CD1 4.33Å; F96-L101 HydrophobicContact CZ-CD1 4.05Å |
| 97 | H | 94.8 | Very high | 96.1 | Very high | 49 Ų | 49 | 58 Ų | 58 | 23% | 0.227 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 126.2 | 168.6 | 172.7 | 67.8 | 0 | 0 | 0 | 107.4 | E16 T20 G99 A100 V102 | E16-H97 HydrophobicContact CG-CB 4.1Å; E16-H97 WeakPolarHBondContact OE1-CA 3.5Å; E16-H97 IonicContact OE1-CE1 3.21Å; E16-H97 IonicContact OE1-CG 3.83Å; E16-H97 IonicContact OE1-ND1 2.63Å; E16-H97 PolarHBondContact OE1-ND1 3.16Å; T20-H97 HydrophobicContact CG2-CB 3.81Å; H97-G99 PolarHBondContact O-N 3.06Å; H97-G99 VanDerWaalsContact O-N 3.08Å; H97-A100 PolarHBondContact N-O 2.83Å; H97-A100 WeakPolarHBondContact O-CB 3.42Å; H97-A100 PolarHBondContact O-N 3.15Å; H97-V102 HydrophobicContact CB-CB 4.49Å; H97-V102 HydrophobicContact CB-CG1 3.65Å; H97-V102 HydrophobicContact CB-CG2 4.01Å |
| 98 | G | 93.1 | Very high | 96.2 | Very high | 69 Ų | 69 | 52.9 Ų | 52.9 | 71% | 0.711 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.9 | 28 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | A100 | G98-A100 VanDerWaalsContact C-N 3.29Å; G98-A100 PolarHBondContact O-N 3.37Å |
| 99 | G | 91.8 | Very high | 96.3 | Very high | 65 Ų | 65 | 50.1 Ų | 50.1 | 67% | 0.67 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.3 | -7.4 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | H97 | H97-G99 PolarHBondContact O-N 3.06Å; H97-G99 VanDerWaalsContact O-N 3.08Å |
| 100 | A | 93.3 | Very high | 96.4 | Very high | 30 Ų | 30 | 46.6 Ų | 46.6 | 25% | 0.248 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 134.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | F96 H97 G98 V102 M221 | F96-A100 CarbonylContact C-O 3.47Å; F96-A100 WeakPolarHBondContact CA-O 3.48Å; H97-A100 PolarHBondContact N-O 2.83Å; H97-A100 WeakPolarHBondContact O-CB 3.42Å; H97-A100 PolarHBondContact O-N 3.15Å; G98-A100 VanDerWaalsContact C-N 3.29Å; G98-A100 PolarHBondContact O-N 3.37Å; A100-V102 PolarHBondContact O-N 2.96Å; A100-M221 HydrophobicContact CB-CG 4.03Å |
| 101 | L | 96.1 | Very high | 96.4 | Very high | 54 Ų | 54 | 45.1 Ų | 45.1 | 28% | 0.283 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 102.7 | 173.9 | 179.3 | 69.8 | 0 | 0 | 0 | 109.9 | E94 F96 G103 M104 Q131 | E94-L101 HydrophobicContact CB-CD1 3.75Å; E94-L101 HydrophobicContact CG-CD1 4.02Å; F96-L101 HydrophobicContact CD1-CB 4.1Å; F96-L101 HydrophobicContact CE1-CB 3.87Å; F96-L101 HydrophobicContact CE1-CD1 4.17Å; F96-L101 HydrophobicContact CE2-CD1 4.33Å; F96-L101 HydrophobicContact CZ-CD1 4.05Å; L101-G103 WeakPolarHBondContact CD1-O 3.41Å; L101-M104 HydrophobicContact CD1-SD 4.27Å; L101-Q131 HydrophobicContact CD2-CG 3.93Å; L101-Q131 HydrophobicContact CG-CB 4.41Å; L101-Q131 HydrophobicContact CG-CG 4Å; L101-Q131 WeakPolarHBondContact O-CB 3.45Å |
| 102 | V | 95.1 | Very high | 96.5 | Very high | 18 Ų | 18 | 44.1 Ų | 44.1 | 11% | 0.109 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | -22.3 | 179.4 | -70.9 | 0 | 0 | 0 | 0 | 113.2 | I19 T20 I95 H97 A100 Q131 | I19-V102 HydrophobicContact CB-CG2 4.45Å; I19-V102 HydrophobicContact CG2-CB 4.1Å; I19-V102 HydrophobicContact CG2-CG2 4.09Å; T20-V102 HydrophobicContact CG2-CG2 4.43Å; I95-V102 HydrophobicContact CG2-CG2 3.98Å; I95-V102 WeakPolarHBondContact O-CG2 3.49Å; I95-V102 PolarHBondContact O-N 3.35Å; H97-V102 HydrophobicContact CB-CB 4.49Å; H97-V102 HydrophobicContact CB-CG1 3.65Å; H97-V102 HydrophobicContact CB-CG2 4.01Å; A100-V102 PolarHBondContact O-N 2.96Å; V102-Q131 WeakPolarHBondContact O-CB 3.18Å; V102-Q131 PolarHBondContact O-N 3.22Å |
| 103 | G | 96.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 178.2 | -166.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | I95 L101 R129 | I95-G103 PolarHBondContact N-O 2.88Å; I95-G103 PolarHBondContact O-N 3.2Å; L101-G103 WeakPolarHBondContact CD1-O 3.41Å; G103-R129 CarbonylContact C-O 3.5Å; G103-R129 WeakPolarHBondContact CA-O 3.21Å |
| 104 | M | 96.6 | Very high | 96.4 | Very high | 21 Ų | 21 | 46.1 Ų | 46.1 | 10% | 0.103 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 139.2 | -173 | -57.2 | -72.8 | -57.4 | 0 | 0 | 110.9 | D92 K93 E94 L101 Y128 R129 | D92-M104 HydrophobicContact CB-CE 3.54Å; K93-M104 CarbonylContact O-C 3.53Å; K93-M104 VanDerWaalsContact O-CA 3.31Å; K93-M104 WeakPolarHBondContact O-CA 3.17Å; E94-M104 HydrophobicContact CB-SD 4.16Å; E94-M104 HydrophobicContact CG-CE 3.7Å; E94-M104 HydrophobicContact CG-SD 3.48Å; E94-M104 WeakPolarHBondContact CG-SD 3.4Å; L101-M104 HydrophobicContact CD1-SD 4.27Å; M104-Y128 WeakPolarHBondContact O-CA 3.47Å; M104-R129 HydrophobicContact CB-CG 3.93Å; M104-R129 PolarHBondContact N-O 2.81Å; M104-R129 PolarHBondContact O-N 3.47Å |
| 105 | K | 97.9 | Very high | 96.2 | Very high | 27 Ų | 27 | 45.5 Ų | 45.5 | 12% | 0.117 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 126.2 | 172.7 | 172.1 | -177.7 | -172.1 | 173.6 | 0 | 110.6 | D15 D92 K93 I95 H126 E127 Y128 | D15-K105 VanDerWaalsContact CG-NZ 3.28Å; D15-K105 WeakPolarHBondContact OD1-CD 3.32Å; D15-K105 WeakPolarHBondContact OD1-CE 3.41Å; D15-K105 IonicContact OD1-NZ 3.54Å; D15-K105 PolarHBondContact OD1-NZ 2.82Å; D15-K105 WeakPolarHBondContact OD2-CD 3.48Å; D15-K105 IonicContact OD2-NZ 2.78Å; D15-K105 PolarHBondContact OD2-NZ 3.24Å; D15-K105 VanDerWaalsContact OD2-NZ 3.08Å; D92-K105 CarbonylContact C-O 3.51Å; D92-K105 WeakPolarHBondContact CA-O 3.48Å; K93-K105 HydrophobicContact CB-CB 4.38Å; K93-K105 PolarHBondContact N-O 2.97Å; K93-K105 PolarHBondContact O-N 2.95Å; I95-K105 HydrophobicContact CD1-CB 3.64Å; I95-K105 HydrophobicContact CG1-CB 4.48Å; K105-H126 HydrophobicContact CG-CB 4.3Å; K105-E127 WeakPolarHBondContact CA-O 3.28Å; K105-Y128 HydrophobicContact CB-CD1 4.03Å; K105-Y128 HydrophobicContact CB-CE1 3.99Å; K105-Y128 HydrophobicContact CD-CE1 3.68Å; K105-Y128 WeakPolarHBondContact CE-OH 3.29Å; K105-Y128 HydrophobicContact CG-CD1 4.3Å; K105-Y128 HydrophobicContact CG-CE1 3.9Å; K105-Y128 PolarHBondContact NZ-OH 3.42Å |
| 106 | K | 97.3 | Very high | 96 | Very high | 27 Ų | 27 | 50.8 Ų | 50.8 | 12% | 0.117 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 129.3 | 177.8 | 174.5 | -177.4 | -53.3 | -57.3 | 0 | 109.5 | T88 D92 L108 H126 E127 | T88-K106 HydrophobicContact CG2-CD 3.8Å; T88-K106 HydrophobicContact CG2-CG 4.16Å; D92-K106 WeakPolarHBondContact OD1-CB 3.42Å; D92-K106 WeakPolarHBondContact OD1-CG 3.41Å; D92-K106 IonicContact OD1-NZ 2.85Å; D92-K106 PolarHBondContact OD1-NZ 3.24Å; D92-K106 IonicContact OD2-NZ 2.66Å; D92-K106 PolarHBondContact OD2-NZ 2.8Å; K106-L108 HydrophobicContact CD-CD1 4.33Å; K106-L108 HydrophobicContact CD-CD2 4.5Å; K106-L108 HydrophobicContact CG-CD1 4.03Å; K106-L108 HydrophobicContact CG-CG 4.31Å; K106-L108 WeakPolarHBondContact O-CD1 3.32Å; K106-H126 WeakPolarHBondContact O-CA 3.49Å; K106-E127 HydrophobicContact CB-CB 4.25Å; K106-E127 WeakPolarHBondContact CD-OE1 3.48Å; K106-E127 WeakPolarHBondContact CE-OE1 3.41Å; K106-E127 PolarHBondContact N-O 3.15Å; K106-E127 PolarHBondContact O-N 2.93Å |
| 107 | T | 98 | Very high | 95.9 | Very high | 38 Ų | 38 | 55.8 Ų | 55.8 | 23% | 0.233 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 134.7 | 177.7 | -53.2 | 0 | 0 | 0 | 0 | 110.7 | T88 T89 V124 H126 | T88-T107 WeakPolarHBondContact CA-O 3.35Å; T89-T107 HydrophobicContact CG2-CG2 3.7Å; T89-T107 PolarHBondContact N-O 2.79Å; T107-V124 HydrophobicContact CG2-CG1 4.06Å; T107-H126 PolarHBondContact OG1-CD2 2.75Å |
| 108 | L | 97.6 | Very high | 96 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 150.3 | 178.8 | -51.3 | 99.4 | 0 | 0 | 0 | 110.9 | W86 K87 T88 K106 V124 M125 E127 | W86-L108 HydrophobicContact CB-CB 4.46Å; W86-L108 HydrophobicContact CB-CD2 4.12Å; W86-L108 HydrophobicContact CE3-CB 4.09Å; K87-L108 CarbonylContact O-C 3.43Å; K87-L108 VanDerWaalsContact O-CA 3.3Å; K87-L108 WeakPolarHBondContact O-CA 3.31Å; T88-L108 HydrophobicContact CG2-CD2 3.83Å; T88-L108 HydrophobicContact CG2-CG 4.23Å; K106-L108 HydrophobicContact CD-CD1 4.33Å; K106-L108 HydrophobicContact CD-CD2 4.5Å; K106-L108 HydrophobicContact CG-CD1 4.03Å; K106-L108 HydrophobicContact CG-CG 4.31Å; K106-L108 WeakPolarHBondContact O-CD1 3.32Å; L108-V124 WeakPolarHBondContact O-CA 3.42Å; L108-V124 WeakPolarHBondContact O-CG1 3.38Å; L108-M125 HydrophobicContact CB-CB 4.35Å; L108-M125 HydrophobicContact CD1-CB 4.4Å; L108-M125 HydrophobicContact CD1-CG 4.21Å; L108-M125 HydrophobicContact CD1-SD 4.28Å; L108-M125 PolarHBondContact N-O 3.09Å; L108-M125 PolarHBondContact O-N 3.38Å; L108-E127 HydrophobicContact CD1-CB 3.63Å |
| 109 | V | 97.6 | Very high | 96.2 | Very high | 13 Ų | 13 | 58.1 Ų | 58.1 | 8% | 0.079 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 136.9 | 173 | 179.8 | 0 | 0 | 0 | 0 | 108.4 | K87 T89 Y111 K120 W123 V124 | K87-V109 PolarHBondContact N-O 3.07Å; K87-V109 PolarHBondContact O-N 2.94Å; T89-V109 HydrophobicContact CG2-CG2 3.92Å; V109-Y111 HydrophobicContact CB-CE2 4.28Å; V109-Y111 HydrophobicContact CG1-CE2 4.26Å; V109-Y111 WeakPolarHBondContact O-CD2 3.48Å; V109-K120 HydrophobicContact CG1-CD 4.48Å; V109-K120 HydrophobicContact CG1-CG 3.8Å; V109-W123 WeakPolarHBondContact CA-O 3.32Å; V109-V124 HydrophobicContact CG2-CG2 4.49Å |
| 110 | F | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 136.4 | 177 | -171.9 | -100.5 | 0 | 0 | 0 | 111.9 | E46 P47 W48 T81 W86 R112 T121 W123 | E46-F110 WeakPolarHBondContact OE2-CZ 3.25Å; P47-F110 HydrophobicContact CG-CB 4.13Å; P47-F110 HydrophobicContact CG-CD1 3.68Å; P47-F110 HydrophobicContact CG-CD2 4.1Å; P47-F110 HydrophobicContact CG-CE1 4.05Å; P47-F110 HydrophobicContact CG-CE2 4.44Å; P47-F110 HydrophobicContact CG-CG 3.7Å; P47-F110 HydrophobicContact CG-CZ 4.41Å; W48-F110 HydrophobicContact CH2-CE1 4.34Å; W48-F110 HydrophobicContact CZ3-CE1 4.07Å; T81-F110 HydrophobicContact CG2-CE2 4.08Å; T81-F110 WeakPolarHBondContact OG1-CE2 3.03Å; T81-F110 WeakPolarHBondContact OG1-CZ 3.23Å; W86-F110 HydrophobicContact CD2-CB 4.16Å; W86-F110 AromaticContact CD2-CD2 3.87Å; W86-F110 HydrophobicContact CD2-CD2 3.87Å; W86-F110 AromaticContact CE2-CD2 3.76Å; W86-F110 HydrophobicContact CE3-CB 3.82Å; W86-F110 HydrophobicContact CE3-CD2 4.4Å; W86-F110 HydrophobicContact CG-CD2 4.11Å; W86-F110 HydrophobicContact CH2-CB 4.07Å; W86-F110 HydrophobicContact CZ2-CB 4.38Å; W86-F110 HydrophobicContact CZ2-CD2 4.22Å; W86-F110 HydrophobicContact CZ3-CB 3.77Å; W86-F110 AromaticContact NE1-CD2 3.88Å; F110-R112 HydrophobicContact CE1-CB 4.29Å; F110-T121 HydrophobicContact CD1-CG2 3.98Å; F110-T121 WeakPolarHBondContact O-CB 3.31Å; F110-T121 PolarHBondContact O-N 2.65Å; F110-T121 PolarHBondContact O-OG1 3.21Å; F110-W123 HydrophobicContact CB-CB 3.97Å; F110-W123 PolarHBondContact N-O 2.89Å |
| 111 | Y | 98 | Very high | 96.7 | Very high | 43 Ų | 43 | 61.6 Ų | 61.6 | 17% | 0.169 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 124.6 | 175.4 | -78.4 | -108.8 | 0 | 0 | 0 | 109.1 | G84 Y85 K87 V109 G118 Q119 K120 | G84-Y111 CarbonylContact C-O 3.57Å; G84-Y111 WeakPolarHBondContact CA-O 3.37Å; Y85-Y111 HydrophobicContact CE2-CD2 4.38Å; Y85-Y111 HydrophobicContact CE2-CG 4.02Å; Y85-Y111 VanDerWaalsContact CZ-CB 3.48Å; Y85-Y111 AromaticContact CZ-CG 3.97Å; Y85-Y111 PolarHBondContact N-O 2.94Å; Y85-Y111 PolarHBondContact O-N 2.87Å; K87-Y111 HydrophobicContact CB-CD2 3.68Å; K87-Y111 HydrophobicContact CB-CE2 3.69Å; K87-Y111 HydrophobicContact CD-CD2 4.35Å; K87-Y111 HydrophobicContact CD-CE2 3.77Å; K87-Y111 HydrophobicContact CG-CE2 4.31Å; V109-Y111 HydrophobicContact CB-CE2 4.28Å; V109-Y111 HydrophobicContact CG1-CE2 4.26Å; V109-Y111 WeakPolarHBondContact O-CD2 3.48Å; Y111-G118 WeakPolarHBondContact CD1-O 3.35Å; Y111-Q119 CarbonylContact C-O 3.53Å; Y111-Q119 VanDerWaalsContact CA-O 3.28Å; Y111-Q119 WeakPolarHBondContact CA-O 3.36Å; Y111-K120 HydrophobicContact CD1-CB 4.11Å; Y111-K120 HydrophobicContact CE1-CB 3.62Å; Y111-K120 HydrophobicContact CE1-CG 4.16Å; Y111-K120 HydrophobicContact CE2-CB 4.42Å; Y111-K120 HydrophobicContact CE2-CG 4.11Å |
| 112 | R | 97.3 | Very high | 96.7 | Very high | 143 Ų | 143 | 60.2 Ų | 60.2 | 54% | 0.54 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 139.5 | 178.1 | -165.8 | 177.4 | -172.5 | 177.2 | 3.9 | 110.2 | F110 G118 Q119 T121 | F110-R112 HydrophobicContact CE1-CB 4.29Å; R112-G118 CarbonylContact O-C 3.58Å; R112-G118 WeakPolarHBondContact O-CA 3.47Å; R112-Q119 PolarHBondContact N-O 3.08Å; R112-Q119 PolarHBondContact O-N 3.42Å; R112-T121 HydrophobicContact CB-CG2 4.02Å |
| 113 | G | 96.8 | Very high | 96.9 | Very high | 30 Ų | 30 | 60.5 Ų | 60.5 | 31% | 0.309 | 30% | 0.303 | S | S | . | . | S | Bend | trans | 89.7 | 168.7 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | S83 Y85 | S83-G113 PolarHBondContact O-N 3.2Å; Y85-G113 VanDerWaalsContact CD1-O 3.31Å; Y85-G113 WeakPolarHBondContact CD1-O 3.28Å; Y85-G113 VanDerWaalsContact CE1-O 3.28Å; Y85-G113 WeakPolarHBondContact CE1-O 3.48Å |
| 114 | R | 95.6 | Very high | 96.9 | Very high | 158 Ų | 158 | 61.4 Ų | 61.4 | 60% | 0.596 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -75.7 | 140.6 | -174.2 | -65 | -65.9 | -178.5 | -122.5 | -4.1 | 112.6 | T81 D82 K117 G118 | T81-R114 PolarHBondContact O-NH1 3.14Å; D82-R114 PolarHBondContact O-NH1 3.07Å; D82-R114 PolarHBondContact O-NH2 2.95Å; R114-K117 PolarHBondContact O-N 3.21Å; R114-K117 VanDerWaalsContact O-N 3.09Å; R114-G118 PolarHBondContact O-N 3.5Å |
| 115 | A | 94.1 | Very high | 97 | Very high | 68 Ų | 68 | 60.7 Ų | 60.7 | 56% | 0.562 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | 146.9 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y85 | Y85-A115 HydrophobicContact CD1-CB 3.88Å; Y85-A115 HydrophobicContact CD2-CB 4.35Å; Y85-A115 VanDerWaalsContact CE1-CA 3.44Å; Y85-A115 HydrophobicContact CE1-CB 3.58Å; Y85-A115 HydrophobicContact CE2-CB 4.08Å; Y85-A115 HydrophobicContact CG-CB 4.26Å |
| 116 | P | 94 | Very high | 97 | Very high | 118 Ų | 118 | 60.8 Ų | 60.8 | 77% | 0.766 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -85.3 | -1.3 | -2.3 | 35.8 | -36.6 | 0 | 0 | 0 | 114.1 | Y85 G118 | Y85-P116 PolarHBondContact OH-O 2.84Å; P116-G118 VanDerWaalsContact C-N 3.26Å; P116-G118 PolarHBondContact O-N 2.85Å |
| 117 | K | 95.6 | Very high | 97 | Very high | 201 Ų | 201 | 60 Ų | 60 | 87% | 0.874 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -82.7 | 13.4 | -169.8 | -60.1 | -174.5 | 178.8 | -177.4 | 0 | 114.6 | R114 | R114-K117 PolarHBondContact O-N 3.21Å; R114-K117 VanDerWaalsContact O-N 3.09Å |
| 118 | G | 95.9 | Very high | 97 | Very high | 14 Ų | 14 | 58.1 Ų | 58.1 | 14% | 0.144 | 29% | 0.292 | C | S | . | . | P | Polyproline II helix | trans | -68.2 | 149.4 | -177 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y85 Y111 R112 R114 P116 | Y85-G118 PolarHBondContact OH-N 3.15Å; Y111-G118 WeakPolarHBondContact CD1-O 3.35Å; R112-G118 CarbonylContact O-C 3.58Å; R112-G118 WeakPolarHBondContact O-CA 3.47Å; R114-G118 PolarHBondContact O-N 3.5Å; P116-G118 VanDerWaalsContact C-N 3.26Å; P116-G118 PolarHBondContact O-N 2.85Å |
| 119 | Q | 97.6 | Very high | 96.9 | Very high | 153 Ų | 153 | 61.1 Ų | 61.1 | 72% | 0.715 | 30% | 0.303 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86 | 127.3 | 172.9 | -168.9 | -178.6 | 22.9 | 0 | 0 | 110 | Y111 R112 T121 | Y111-Q119 CarbonylContact C-O 3.53Å; Y111-Q119 VanDerWaalsContact CA-O 3.28Å; Y111-Q119 WeakPolarHBondContact CA-O 3.36Å; R112-Q119 PolarHBondContact N-O 3.08Å; R112-Q119 PolarHBondContact O-N 3.42Å; Q119-T121 PolarHBondContact O-N 2.9Å |
| 120 | K | 97.5 | Very high | 96.7 | Very high | 137 Ų | 137 | 62.6 Ų | 62.6 | 60% | 0.596 | 31% | 0.31 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 129.2 | 176.7 | -171.6 | -172.6 | -179.9 | -174.4 | 0 | 110.2 | V109 Y111 | V109-K120 HydrophobicContact CG1-CD 4.48Å; V109-K120 HydrophobicContact CG1-CG 3.8Å; Y111-K120 HydrophobicContact CD1-CB 4.11Å; Y111-K120 HydrophobicContact CE1-CB 3.62Å; Y111-K120 HydrophobicContact CE1-CG 4.16Å; Y111-K120 HydrophobicContact CE2-CB 4.42Å; Y111-K120 HydrophobicContact CE2-CG 4.11Å |
| 121 | T | 97.2 | Very high | 96.3 | Very high | 31 Ų | 31 | 66.5 Ų | 66.5 | 19% | 0.19 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 175.4 | 175.9 | 75.4 | 0 | 0 | 0 | 0 | 112.2 | F110 R112 Q119 W123 | F110-T121 HydrophobicContact CD1-CG2 3.98Å; F110-T121 WeakPolarHBondContact O-CB 3.31Å; F110-T121 PolarHBondContact O-N 2.65Å; F110-T121 PolarHBondContact O-OG1 3.21Å; R112-T121 HydrophobicContact CB-CG2 4.02Å; Q119-T121 PolarHBondContact O-N 2.9Å; T121-W123 VanDerWaalsContact C-N 3.28Å; T121-W123 PolarHBondContact OG1-N 3.32Å |
| 122 | S | 97.4 | Very high | 95.4 | Very high | 25 Ų | 25 | 66.6 Ų | 66.6 | 18% | 0.175 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | -6.9 | 170.5 | -85.2 | 0 | 0 | 0 | 0 | 114.8 | K151 Q153 | S122-K151 WeakPolarHBondContact CB-O 3.29Å; S122-K151 PolarHBondContact O-N 2.7Å; S122-K151 PolarHBondContact OG-O 3.11Å; S122-Q153 WeakPolarHBondContact OG-CG 3.21Å; S122-Q153 PolarHBondContact OG-NE2 2.96Å |
| 123 | W | 98.1 | Very high | 94.1 | Very high | 23 Ų | 23 | 66 Ų | 66 | 9% | 0.087 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 126.8 | -175.8 | -68.6 | 106.3 | 0 | 0 | 0 | 111.5 | P47 W48 P51 W61 W86 V109 F110 T121 V148 K150 | P47-W123 HydrophobicContact CB-CB 3.76Å; P47-W123 HydrophobicContact CB-CD2 3.67Å; P47-W123 HydrophobicContact CB-CE3 3.98Å; P47-W123 HydrophobicContact CB-CG 3.57Å; P47-W123 HydrophobicContact CG-CB 3.98Å; P47-W123 HydrophobicContact CG-CD2 4.22Å; P47-W123 HydrophobicContact CG-CG 3.73Å; P47-W123 VanDerWaalsContact O-CH2 3.29Å; P47-W123 WeakPolarHBondContact O-CH2 3.38Å; P47-W123 WeakPolarHBondContact O-CZ3 3.48Å; W48-W123 HydrophobicContact CB-CZ2 3.75Å; W48-W123 AromaticContact CE3-NE1 3.99Å; P51-W123 HydrophobicContact CG-CH2 3.99Å; P51-W123 HydrophobicContact CG-CZ3 4.42Å; W61-W123 HydrophobicContact CE3-CZ3 4.46Å; W61-W123 HydrophobicContact CZ3-CH2 4.28Å; W61-W123 AromaticContact CZ3-CZ3 3.81Å; W61-W123 HydrophobicContact CZ3-CZ3 3.81Å; W86-W123 HydrophobicContact CH2-CB 4.4Å; V109-W123 WeakPolarHBondContact CA-O 3.32Å; F110-W123 HydrophobicContact CB-CB 3.97Å; F110-W123 PolarHBondContact N-O 2.89Å; T121-W123 VanDerWaalsContact C-N 3.28Å; T121-W123 PolarHBondContact OG1-N 3.32Å; W123-V148 HydrophobicContact CE3-CG1 4.24Å; W123-K150 HydrophobicContact CD2-CB 4.08Å; W123-K150 HydrophobicContact CD2-CG 4.15Å; W123-K150 HydrophobicContact CE3-CB 3.79Å; W123-K150 HydrophobicContact CE3-CG 4.37Å; W123-K150 HydrophobicContact CH2-CB 3.98Å; W123-K150 HydrophobicContact CH2-CD 4.23Å; W123-K150 HydrophobicContact CH2-CG 4.44Å; W123-K150 HydrophobicContact CZ2-CB 4.25Å; W123-K150 HydrophobicContact CZ2-CD 3.86Å; W123-K150 HydrophobicContact CZ2-CG 4.2Å; W123-K150 HydrophobicContact CZ3-CB 3.75Å |
| 124 | V | 98 | Very high | 92.5 | Very high | 19 Ų | 19 | 70.9 Ų | 70.9 | 12% | 0.115 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 142.6 | -177.3 | -175 | 0 | 0 | 0 | 0 | 109 | T107 L108 V109 V148 F149 | T107-V124 HydrophobicContact CG2-CG1 4.06Å; L108-V124 WeakPolarHBondContact O-CA 3.42Å; L108-V124 WeakPolarHBondContact O-CG1 3.38Å; V109-V124 HydrophobicContact CG2-CG2 4.49Å; V124-V148 WeakPolarHBondContact O-CA 3.44Å; V124-F149 HydrophobicContact CB-CD1 4.31Å; V124-F149 HydrophobicContact CB-CD2 4.33Å; V124-F149 HydrophobicContact CB-CE1 3.81Å; V124-F149 HydrophobicContact CB-CE2 3.86Å; V124-F149 HydrophobicContact CB-CZ 3.58Å; V124-F149 HydrophobicContact CG1-CE1 3.68Å; V124-F149 HydrophobicContact CG1-CE2 4.18Å; V124-F149 HydrophobicContact CG1-CZ 3.44Å; V124-F149 VanDerWaalsContact CG1-CZ 3.44Å; V124-F149 HydrophobicContact CG2-CE2 4.23Å; V124-F149 HydrophobicContact CG2-CZ 4.31Å; V124-F149 PolarHBondContact N-O 2.85Å; V124-F149 PolarHBondContact O-N 2.74Å |
| 125 | M | 97.7 | Very high | 91 | Very high | 6 Ų | 6 | 67.2 Ų | 67.2 | 3% | 0.03 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 137 | 174.1 | 175.5 | -175.1 | -71.1 | 0 | 0 | 109.4 | L42 W86 L108 C146 R147 V148 | L42-M125 HydrophobicContact CD1-CE 3.78Å; L42-M125 HydrophobicContact CD1-SD 4.2Å; L42-M125 HydrophobicContact CD2-CE 3.88Å; L42-M125 HydrophobicContact CG-CE 4.3Å; W86-M125 HydrophobicContact CD2-CE 4.2Å; W86-M125 HydrophobicContact CE3-CB 3.95Å; W86-M125 HydrophobicContact CH2-CB 3.91Å; W86-M125 HydrophobicContact CH2-CE 3.94Å; W86-M125 HydrophobicContact CZ2-CE 3.57Å; W86-M125 HydrophobicContact CZ3-CB 3.52Å; W86-M125 HydrophobicContact CZ3-CE 4.41Å; L108-M125 HydrophobicContact CB-CB 4.35Å; L108-M125 HydrophobicContact CD1-CB 4.4Å; L108-M125 HydrophobicContact CD1-CG 4.21Å; L108-M125 HydrophobicContact CD1-SD 4.28Å; L108-M125 PolarHBondContact N-O 3.09Å; L108-M125 PolarHBondContact O-N 3.38Å; M125-C146 HydrophobicContact CG-CB 4.27Å; M125-C146 HydrophobicContact SD-CB 4.31Å; M125-R147 CarbonylContact C-O 3.52Å; M125-R147 WeakPolarHBondContact CA-O 3.3Å; M125-V148 HydrophobicContact CB-CG2 4.14Å; M125-V148 HydrophobicContact CE-CG2 3.62Å; M125-V148 HydrophobicContact CG-CG2 3.98Å |
| 126 | H | 98.1 | Very high | 89.3 | Confident | 29 Ų | 29 | 74.3 Ų | 74.3 | 13% | 0.134 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 112.3 | 162.6 | -62.5 | 138.1 | 0 | 0 | 0 | 108.4 | K105 K106 T107 Y128 C146 R147 F149 | K105-H126 HydrophobicContact CG-CB 4.3Å; K106-H126 WeakPolarHBondContact O-CA 3.49Å; T107-H126 PolarHBondContact OG1-CD2 2.75Å; H126-Y128 HydrophobicContact CB-CD2 4.25Å; H126-Y128 HydrophobicContact CB-CE2 3.49Å; H126-Y128 VanDerWaalsContact CB-CE2 3.49Å; H126-Y128 WeakPolarHBondContact O-CD2 3.22Å; H126-C146 WeakPolarHBondContact O-CA 3.19Å; H126-R147 HydrophobicContact CB-CB 4.36Å; H126-R147 PolarHBondContact N-O 2.61Å; H126-R147 PolarHBondContact O-N 3.19Å; H126-F149 AromaticContact CE1-CE1 3.5Å; H126-F149 AromaticContact CE1-CZ 3.71Å; H126-F149 AromaticContact ND1-CE1 3.67Å |
| 127 | E | 97.4 | Very high | 87.7 | Confident | 10 Ų | 10 | 76.3 Ų | 76.3 | 5% | 0.047 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 116.7 | 176 | 174.7 | -169 | 118.8 | 0 | 0 | 108.5 | R79 K105 K106 L108 V144 | R79-E127 IonicContact CZ-OE2 2.85Å; R79-E127 IonicContact NE-OE2 2.72Å; R79-E127 PolarHBondContact NE-OE2 3.02Å; R79-E127 IonicContact NH2-OE1 2.71Å; R79-E127 PolarHBondContact NH2-OE1 3.46Å; R79-E127 IonicContact NH2-OE2 2.7Å; R79-E127 PolarHBondContact NH2-OE2 2.84Å; K105-E127 WeakPolarHBondContact CA-O 3.28Å; K106-E127 HydrophobicContact CB-CB 4.25Å; K106-E127 WeakPolarHBondContact CD-OE1 3.48Å; K106-E127 WeakPolarHBondContact CE-OE1 3.41Å; K106-E127 PolarHBondContact N-O 3.15Å; K106-E127 PolarHBondContact O-N 2.93Å; L108-E127 HydrophobicContact CD1-CB 3.63Å; E127-V144 HydrophobicContact CG-CB 4.33Å; E127-V144 HydrophobicContact CG-CG1 4.27Å; E127-V144 HydrophobicContact CG-CG2 4.38Å |
| 128 | Y | 97.4 | Very high | 85.9 | Confident | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 124.5 | -179.5 | -63.9 | -101.3 | 0 | 0 | 0 | 109.6 | D15 L18 I19 L23 I95 M104 K105 H126 V144 V145 R147 | D15-Y128 HydrophobicContact CB-CE1 4.02Å; D15-Y128 VanDerWaalsContact OD1-CE1 3.28Å; D15-Y128 WeakPolarHBondContact OD1-CE1 3.41Å; D15-Y128 PolarHBondContact OD1-OH 3.25Å; L18-Y128 HydrophobicContact CB-CD1 4.49Å; L18-Y128 HydrophobicContact CD1-CD1 4.21Å; L18-Y128 HydrophobicContact CD1-CD2 4.02Å; L18-Y128 HydrophobicContact CD1-CE1 3.76Å; L18-Y128 HydrophobicContact CD1-CE2 3.55Å; L18-Y128 HydrophobicContact CD1-CG 4.33Å; I19-Y128 HydrophobicContact CD1-CD1 4.37Å; I19-Y128 HydrophobicContact CG1-CD1 4.34Å; L23-Y128 WeakPolarHBondContact CD2-O 3.48Å; I95-Y128 HydrophobicContact CD1-CD1 3.75Å; I95-Y128 HydrophobicContact CD1-CE1 3.96Å; M104-Y128 WeakPolarHBondContact O-CA 3.47Å; K105-Y128 HydrophobicContact CB-CD1 4.03Å; K105-Y128 HydrophobicContact CB-CE1 3.99Å; K105-Y128 HydrophobicContact CD-CE1 3.68Å; K105-Y128 WeakPolarHBondContact CE-OH 3.29Å; K105-Y128 HydrophobicContact CG-CD1 4.3Å; K105-Y128 HydrophobicContact CG-CE1 3.9Å; K105-Y128 PolarHBondContact NZ-OH 3.42Å; H126-Y128 HydrophobicContact CB-CD2 4.25Å; H126-Y128 HydrophobicContact CB-CE2 3.49Å; H126-Y128 VanDerWaalsContact CB-CE2 3.49Å; H126-Y128 WeakPolarHBondContact O-CD2 3.22Å; Y128-V144 VanDerWaalsContact O-CA 3.29Å; Y128-V144 WeakPolarHBondContact O-CA 3.49Å; Y128-V144 VanDerWaalsContact O-CB 3.25Å; Y128-V144 WeakPolarHBondContact O-CB 3.17Å; Y128-V145 WeakPolarHBondContact CB-O 3.41Å; Y128-V145 WeakPolarHBondContact CD2-O 3.4Å; Y128-V145 PolarHBondContact N-O 3.04Å; Y128-V145 PolarHBondContact O-N 2.94Å; Y128-V145 VanDerWaalsContact O-N 3.09Å; Y128-R147 HydrophobicContact CE2-CB 4.17Å |
| 129 | R | 94.9 | Very high | 84.4 | Confident | 62 Ų | 62 | 70.8 Ų | 70.8 | 23% | 0.234 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 147.7 | 175.7 | 66 | 173.4 | -178 | -120.5 | -16.2 | 111.7 | D92 G103 M104 V144 | D92-R129 IonicContact OD2-CZ 3.46Å; D92-R129 IonicContact OD2-NH1 3.41Å; D92-R129 PolarHBondContact OD2-NH1 3.33Å; D92-R129 IonicContact OD2-NH2 3.56Å; D92-R129 PolarHBondContact OD2-NH2 2.93Å; G103-R129 CarbonylContact C-O 3.5Å; G103-R129 WeakPolarHBondContact CA-O 3.21Å; M104-R129 HydrophobicContact CB-CG 3.93Å; M104-R129 PolarHBondContact N-O 2.81Å; M104-R129 PolarHBondContact O-N 3.47Å; R129-V144 HydrophobicContact CB-CG1 4.07Å |
| 130 | L | 93.7 | Very high | 82.7 | Confident | 45 Ų | 45 | 71.9 Ų | 71.9 | 24% | 0.236 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 148.3 | 172.7 | -166.4 | 69 | 0 | 0 | 0 | 110.7 | I19 L23 T24 V27 T132 | I19-L130 HydrophobicContact CG2-CD1 3.74Å; L23-L130 HydrophobicContact CD2-CB 4.18Å; T24-L130 WeakPolarHBondContact OG1-CD1 3.25Å; V27-L130 HydrophobicContact CB-CD2 4.49Å; V27-L130 HydrophobicContact CG1-CD2 4.15Å; L130-T132 PolarHBondContact O-N 2.99Å |
| 131 | Q | 90.7 | Very high | 81.4 | Confident | 81 Ų | 81 | 69.2 Ų | 69.2 | 38% | 0.379 | 33% | 0.333 | S | S | . | . | trans | -76.9 | 94.9 | 178.6 | -179.3 | 60.1 | 5 | 0 | 0 | 111.2 | L101 V102 K133 | L101-Q131 HydrophobicContact CD2-CG 3.93Å; L101-Q131 HydrophobicContact CG-CB 4.41Å; L101-Q131 HydrophobicContact CG-CG 4Å; L101-Q131 WeakPolarHBondContact O-CB 3.45Å; V102-Q131 WeakPolarHBondContact O-CB 3.18Å; V102-Q131 PolarHBondContact O-N 3.22Å; Q131-K133 PolarHBondContact O-N 3.36Å | ||
| 132 | T | 79.2 | Confident | 80.9 | Confident | 45 Ų | 45 | 68.6 Ų | 68.6 | 28% | 0.276 | 33% | 0.328 | S | S | . | . | trans | -74 | 117.1 | 178 | -60.7 | 0 | 0 | 0 | 0 | 110.8 | L130 F134 | L130-T132 PolarHBondContact O-N 2.99Å; T132-F134 PolarHBondContact O-N 2.69Å | ||
| 133 | K | 68.5 | Low | 80.7 | Confident | 130 Ų | 130 | 68.4 Ų | 68.4 | 57% | 0.565 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -56.6 | -21.7 | 178.4 | -71 | -167 | 174 | -168 | 0 | 114.3 | Q131 | Q131-K133 PolarHBondContact O-N 3.36Š|
| 134 | F | 64.7 | Low | 80.6 | Confident | 134 Ų | 134 | 67.5 Ų | 67.5 | 59% | 0.588 | 32% | 0.321 | S | S | * | . | trans | -122.3 | 77.8 | 178.4 | -56.3 | -69.3 | 0 | 0 | 0 | 110.9 | T132 Y136 K137 | T132-F134 PolarHBondContact O-N 2.69Å; F134-Y136 PolarHBondContact O-N 3.34Å; F134-K137 HydrophobicContact CB-CB 3.95Å; F134-K137 HydrophobicContact CB-CD 4.4Å; F134-K137 HydrophobicContact CB-CG 4.31Å; F134-K137 PolarHBondContact O-N 2.9Å | ||
| 135 | P | 62.5 | Low | 80.6 | Confident | 80 Ų | 80 | 66.6 Ų | 66.6 | 52% | 0.519 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -18.7 | -177.1 | 24.8 | -34.9 | 0 | 0 | 0 | 113.8 | ||
| 136 | Y | 58.7 | Low | 80.5 | Confident | 218 Ų | 218 | 66.4 Ų | 66.4 | 86% | 0.855 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90 | -4.3 | 175.9 | -50.1 | -68.8 | 0 | 0 | 0 | 114.4 | F134 P138 | F134-Y136 PolarHBondContact O-N 3.34Å; Y136-P138 VanDerWaalsContact O-CD 3.26Å; Y136-P138 WeakPolarHBondContact O-CD 3.48Å |
| 137 | K | 61.5 | Low | 80.5 | Confident | 159 Ų | 159 | 66.6 Ų | 66.6 | 69% | 0.691 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -113.5 | 71.7 | 171.2 | -69.5 | -173.3 | 175.8 | -177.3 | 0 | 109.5 | F134 S139 | F134-K137 HydrophobicContact CB-CB 3.95Å; F134-K137 HydrophobicContact CB-CD 4.4Å; F134-K137 HydrophobicContact CB-CG 4.31Å; F134-K137 PolarHBondContact O-N 2.9Å; K137-S139 PolarHBondContact O-N 3.31Å |
| 138 | P | 57.6 | Low | 80.5 | Confident | 40 Ų | 40 | 66.1 Ų | 66.1 | 26% | 0.26 | 31% | 0.311 | S | S | . | . | trans | -67.6 | 119.9 | -179 | 30.1 | -35.9 | 0 | 0 | 0 | 109.7 | R69 Y136 | R69-P138 VanDerWaalsContact NH2-C 3.25Å; R69-P138 PolarHBondContact NH2-O 2.78Å; Y136-P138 VanDerWaalsContact O-CD 3.26Å; Y136-P138 WeakPolarHBondContact O-CD 3.48Å | ||
| 139 | S | 64.2 | Low | 80.5 | Confident | 60 Ų | 60 | 68.4 Ų | 68.4 | 42% | 0.42 | 32% | 0.321 | S | S | . | . | trans | -62.4 | 141 | 170 | 47.4 | 0 | 0 | 0 | 0 | 109.9 | R69 K137 D141 | R69-S139 PolarHBondContact NH2-O 2.93Å; K137-S139 PolarHBondContact O-N 3.31Å; S139-D141 PolarHBondContact O-N 2.82Å | ||
| 140 | K | 61 | Low | 80.6 | Confident | 176 Ų | 176 | 71.5 Ų | 71.5 | 77% | 0.765 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -40.2 | -179.7 | -73.4 | -178.3 | -179.6 | 179 | 0 | 110.3 | ||
| 141 | D | 70.2 | Confident | 80.6 | Confident | 80 Ų | 80 | 76 Ų | 76 | 43% | 0.428 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109 | 50.4 | -167.1 | -39.5 | -72.1 | 0 | 0 | 0 | 111 | F30 M66 S139 W143 | F30-D141 HydrophobicContact CE1-CB 3.89Å; F30-D141 HydrophobicContact CZ-CB 4.15Å; M66-D141 HydrophobicContact CE-CB 3.89Å; S139-D141 PolarHBondContact O-N 2.82Å; D141-W143 PolarHBondContact O-N 2.85Å |
| 142 | E | 87.4 | Confident | 80.4 | Confident | 18 Ų | 18 | 77.3 Ų | 77.3 | 8% | 0.084 | 37% | 0.371 | C | S | . | . | trans | -76.8 | 107.2 | 175 | -162.6 | -177.6 | 130.2 | 0 | 0 | 110 | R67 | R67-E142 WeakPolarHBondContact CB-O 3.43Å; R67-E142 IonicContact CZ-OE1 2.75Å; R67-E142 IonicContact CZ-OE2 3.38Å; R67-E142 PolarHBondContact N-O 2.9Å; R67-E142 IonicContact NH1-OE1 3.42Å; R67-E142 PolarHBondContact NH1-OE1 2.99Å; R67-E142 IonicContact NH1-OE2 3.19Å; R67-E142 PolarHBondContact NH1-OE2 2.84Å; R67-E142 VanDerWaalsContact NH2-CD 3.33Å; R67-E142 IonicContact NH2-OE1 2.69Å; R67-E142 IonicContact NH2-OE2 3.42Å; R67-E142 PolarHBondContact NH2-OE2 2.9Å | ||
| 143 | W | 93.4 | Very high | 80 | Confident | 22 Ų | 22 | 81.7 Ų | 81.7 | 8% | 0.083 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 151.1 | 169.1 | -69.8 | 98.8 | 0 | 0 | 0 | 111.8 | L23 K26 V27 F30 F64 S65 M66 D141 | L23-W143 HydrophobicContact CD1-CB 3.94Å; K26-W143 HydrophobicContact CG-CD2 3.91Å; K26-W143 HydrophobicContact CG-CE3 4.23Å; K26-W143 HydrophobicContact CG-CG 4.04Å; V27-W143 HydrophobicContact CG2-CB 4.02Å; F30-W143 HydrophobicContact CD1-CZ2 4.29Å; F30-W143 AromaticContact CD1-NE1 3.2Å; F30-W143 AromaticContact CE1-CD1 3.94Å; F30-W143 AromaticContact CE1-NE1 3.27Å; F30-W143 VanDerWaalsContact CE1-NE1 3.27Å; F64-W143 HydrophobicContact CB-CE3 3.85Å; F64-W143 HydrophobicContact CB-CZ3 3.83Å; S65-W143 WeakPolarHBondContact O-CA 3.48Å; M66-W143 HydrophobicContact CG-CD2 4.05Å; M66-W143 HydrophobicContact CG-CE3 3.99Å; M66-W143 HydrophobicContact CG-CH2 3.93Å; M66-W143 HydrophobicContact CG-CZ2 3.96Å; M66-W143 HydrophobicContact CG-CZ3 3.94Å; M66-W143 HydrophobicContact SD-CZ2 4.46Å; D141-W143 PolarHBondContact O-N 2.85Å |
| 144 | V | 95.4 | Very high | 80.1 | Confident | 4 Ų | 4 | 81.9 Ų | 81.9 | 2% | 0.024 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 151.8 | 166.1 | -68.6 | 0 | 0 | 0 | 0 | 109.7 | F64 S65 R67 E127 Y128 R129 | F64-V144 WeakPolarHBondContact CA-O 3.49Å; S65-V144 PolarHBondContact N-O 3.46Å; S65-V144 WeakPolarHBondContact O-CG2 3.34Å; S65-V144 PolarHBondContact O-N 3.25Å; R67-V144 HydrophobicContact CB-CG1 4.35Å; E127-V144 HydrophobicContact CG-CB 4.33Å; E127-V144 HydrophobicContact CG-CG1 4.27Å; E127-V144 HydrophobicContact CG-CG2 4.38Å; Y128-V144 VanDerWaalsContact O-CA 3.29Å; Y128-V144 WeakPolarHBondContact O-CA 3.49Å; Y128-V144 VanDerWaalsContact O-CB 3.25Å; Y128-V144 WeakPolarHBondContact O-CB 3.17Å; R129-V144 HydrophobicContact CB-CG1 4.07Å |
| 145 | V | 97.4 | Very high | 80.2 | Confident | 0 Ų | 0 | 80.7 Ų | 80.7 | 0% | 0 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 136.3 | 163.5 | 171.8 | 0 | 0 | 0 | 0 | 108.5 | L18 L23 I37 F63 F64 Y128 | L18-V145 HydrophobicContact CD2-CG1 4.15Å; L23-V145 HydrophobicContact CB-CG2 3.93Å; L23-V145 HydrophobicContact CD1-CG2 4.24Å; I37-V145 HydrophobicContact CD1-CG1 4.37Å; F63-V145 CarbonylContact O-C 3.58Å; F63-V145 WeakPolarHBondContact O-CA 3.07Å; F64-V145 HydrophobicContact CD1-CG2 3.56Å; F64-V145 HydrophobicContact CE1-CG2 3.43Å; F64-V145 VanDerWaalsContact CE1-CG2 3.43Å; Y128-V145 WeakPolarHBondContact CB-O 3.41Å; Y128-V145 WeakPolarHBondContact CD2-O 3.4Å; Y128-V145 PolarHBondContact N-O 3.04Å; Y128-V145 PolarHBondContact O-N 2.94Å; Y128-V145 VanDerWaalsContact O-N 3.09Å |
| 146 | C | 97.2 | Very high | 80.3 | Confident | 1 Ų | 1 | 85.8 Ų | 85.8 | 1% | 0.007 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 114.3 | 179.4 | -74.6 | 0 | 0 | 0 | 0 | 111.2 | L42 Y62 F63 M125 H126 | L42-C146 HydrophobicContact CD1-CB 3.66Å; L42-C146 WeakPolarHBondContact CD1-SG 3.49Å; Y62-C146 WeakPolarHBondContact CA-O 3.37Å; F63-C146 PolarHBondContact N-O 3.17Å; F63-C146 PolarHBondContact O-N 2.85Å; M125-C146 HydrophobicContact CG-CB 4.27Å; M125-C146 HydrophobicContact SD-CB 4.31Å; H126-C146 WeakPolarHBondContact O-CA 3.19Å |
| 147 | R | 97.7 | Very high | 80.6 | Confident | 33 Ų | 33 | 80.8 Ų | 80.8 | 13% | 0.125 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 114.9 | 169.8 | 176.2 | -177.7 | 178 | 160.9 | 1.2 | 108.7 | E60 W61 Y62 M125 H126 Y128 | E60-R147 VanDerWaalsContact CD-NE 3.32Å; E60-R147 IonicContact OE1-CZ 3.34Å; E60-R147 VanDerWaalsContact OE1-CZ 3.24Å; E60-R147 IonicContact OE1-NE 3.44Å; E60-R147 PolarHBondContact OE1-NE 2.87Å; E60-R147 IonicContact OE1-NH2 2.9Å; E60-R147 PolarHBondContact OE1-NH2 2.96Å; E60-R147 IonicContact OE2-CZ 2.7Å; E60-R147 IonicContact OE2-NE 3.06Å; E60-R147 PolarHBondContact OE2-NE 3.08Å; E60-R147 IonicContact OE2-NH2 3.49Å; E60-R147 PolarHBondContact OE2-NH2 2.68Å; W61-R147 CarbonylContact O-C 3.58Å; W61-R147 WeakPolarHBondContact O-CA 3.49Å; Y62-R147 HydrophobicContact CD1-CB 3.87Å; Y62-R147 HydrophobicContact CD1-CG 4.15Å; Y62-R147 HydrophobicContact CE1-CB 3.72Å; Y62-R147 HydrophobicContact CE1-CG 3.62Å; Y62-R147 HydrophobicContact CE2-CG 4.32Å; Y62-R147 VanDerWaalsContact OH-CD 3.31Å; Y62-R147 WeakPolarHBondContact OH-CD 3.25Å; Y62-R147 PolarHBondContact OH-NE 2.94Å; Y62-R147 VanDerWaalsContact OH-NE 3.11Å; Y62-R147 PolarHBondContact OH-NH1 2.91Å; M125-R147 CarbonylContact C-O 3.52Å; M125-R147 WeakPolarHBondContact CA-O 3.3Å; H126-R147 HydrophobicContact CB-CB 4.36Å; H126-R147 PolarHBondContact N-O 2.61Å; H126-R147 PolarHBondContact O-N 3.19Å; Y128-R147 HydrophobicContact CE2-CB 4.17Å |
| 148 | V | 97.6 | Very high | 80.3 | Confident | 0 Ų | 0 | 83.5 Ų | 83.5 | 0% | 0 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 138.7 | -178.6 | -177.6 | 0 | 0 | 0 | 0 | 110.2 | L50 E60 W61 F63 W86 W123 V124 M125 | L50-V148 HydrophobicContact CD1-CB 4.34Å; L50-V148 HydrophobicContact CD1-CG1 4.07Å; L50-V148 HydrophobicContact CD1-CG2 3.99Å; E60-V148 CarbonylContact C-O 3.57Å; E60-V148 VanDerWaalsContact CA-O 3.29Å; E60-V148 WeakPolarHBondContact CA-O 3.4Å; W61-V148 PolarHBondContact N-O 2.88Å; W61-V148 PolarHBondContact O-N 2.93Å; F63-V148 HydrophobicContact CD2-CG2 4.38Å; F63-V148 HydrophobicContact CE2-CB 4.41Å; F63-V148 HydrophobicContact CE2-CG2 4.41Å; W86-V148 HydrophobicContact CH2-CG1 4.2Å; W123-V148 HydrophobicContact CE3-CG1 4.24Å; V124-V148 WeakPolarHBondContact O-CA 3.44Å; M125-V148 HydrophobicContact CB-CG2 4.14Å; M125-V148 HydrophobicContact CE-CG2 3.62Å; M125-V148 HydrophobicContact CG-CG2 3.98Å |
| 149 | F | 97.5 | Very high | 80.2 | Confident | 48 Ų | 48 | 86.8 Ų | 86.8 | 21% | 0.211 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 159 | -179.9 | 60.4 | -78.3 | 0 | 0 | 0 | 111.9 | K59 E60 V124 H126 | K59-F149 WeakPolarHBondContact O-CB 3.48Å; E60-F149 HydrophobicContact CB-CB 3.79Å; V124-F149 HydrophobicContact CB-CD1 4.31Å; V124-F149 HydrophobicContact CB-CD2 4.33Å; V124-F149 HydrophobicContact CB-CE1 3.81Å; V124-F149 HydrophobicContact CB-CE2 3.86Å; V124-F149 HydrophobicContact CB-CZ 3.58Å; V124-F149 HydrophobicContact CG1-CE1 3.68Å; V124-F149 HydrophobicContact CG1-CE2 4.18Å; V124-F149 HydrophobicContact CG1-CZ 3.44Å; V124-F149 VanDerWaalsContact CG1-CZ 3.44Å; V124-F149 HydrophobicContact CG2-CE2 4.23Å; V124-F149 HydrophobicContact CG2-CZ 4.31Å; V124-F149 PolarHBondContact N-O 2.85Å; V124-F149 PolarHBondContact O-N 2.74Å; H126-F149 AromaticContact CE1-CE1 3.5Å; H126-F149 AromaticContact CE1-CZ 3.71Å; H126-F149 AromaticContact ND1-CE1 3.67Å |
| 150 | K | 96.9 | Very high | 79.7 | Confident | 127 Ų | 127 | 89.4 Ų | 89.4 | 55% | 0.552 | 45% | 0.452 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 111.3 | 177.3 | -170.2 | -176.1 | -179.6 | -173.9 | 0 | 109.2 | W123 C152 | W123-K150 HydrophobicContact CD2-CB 4.08Å; W123-K150 HydrophobicContact CD2-CG 4.15Å; W123-K150 HydrophobicContact CE3-CB 3.79Å; W123-K150 HydrophobicContact CE3-CG 4.37Å; W123-K150 HydrophobicContact CH2-CB 3.98Å; W123-K150 HydrophobicContact CH2-CD 4.23Å; W123-K150 HydrophobicContact CH2-CG 4.44Å; W123-K150 HydrophobicContact CZ2-CB 4.25Å; W123-K150 HydrophobicContact CZ2-CD 3.86Å; W123-K150 HydrophobicContact CZ2-CG 4.2Å; W123-K150 HydrophobicContact CZ3-CB 3.75Å; K150-C152 PolarHBondContact O-N 2.73Å |
| 151 | K | 94.2 | Very high | 79.4 | Confident | 139 Ų | 139 | 89.4 Ų | 89.4 | 60% | 0.604 | 46% | 0.457 | S | S | * | . | trans | -68.3 | 116.3 | 176.6 | -179.9 | 169.7 | -178.9 | 173.9 | 0 | 110.7 | S122 Q153 | S122-K151 WeakPolarHBondContact CB-O 3.29Å; S122-K151 PolarHBondContact O-N 2.7Å; S122-K151 PolarHBondContact OG-O 3.11Å; K151-Q153 PolarHBondContact O-N 3.44Å | ||
| 152 | C | 85.4 | Confident | 78.3 | Confident | 109 Ų | 109 | 94.6 Ų | 94.6 | 74% | 0.736 | 48% | 0.479 | S | S | * | . | trans | -56.9 | 125.5 | 166 | -60.3 | 0 | 0 | 0 | 0 | 109.7 | K150 V154 | K150-C152 PolarHBondContact O-N 2.73Å; C152-V154 PolarHBondContact O-N 2.85Å | ||
| 153 | Q | 71.5 | Confident | 76.3 | Confident | 137 Ų | 137 | 100.2 Ų | 100.2 | 64% | 0.64 | 51% | 0.51 | S | S | * | . | trans | -89.2 | 98.7 | 169 | -63.9 | -174.4 | 31.9 | 0 | 0 | 106.9 | S122 K151 V155 | S122-Q153 WeakPolarHBondContact OG-CG 3.21Å; S122-Q153 PolarHBondContact OG-NE2 2.96Å; K151-Q153 PolarHBondContact O-N 3.44Å; Q153-V155 VanDerWaalsContact C-N 3.27Å; Q153-V155 PolarHBondContact O-N 2.84Å | ||
| 154 | V | 70.9 | Confident | 74.3 | Confident | 135 Ų | 135 | 106.7 Ų | 106.7 | 82% | 0.818 | 55% | 0.546 | S | S | * | . | trans | -65.3 | 97.7 | 163.1 | 179.4 | 0 | 0 | 0 | 0 | 106 | C152 K156 | C152-V154 PolarHBondContact O-N 2.85Å; V154-K156 PolarHBondContact O-N 2.76Å | ||
| 155 | V | 65.4 | Low | 72.1 | Confident | 109 Ų | 109 | 114.4 Ų | 114.4 | 66% | 0.661 | 59% | 0.587 | S | S | * | * | trans | -66.9 | 103.6 | 170.8 | 178.8 | 0 | 0 | 0 | 0 | 105.6 | Q153 V157 | Q153-V155 VanDerWaalsContact C-N 3.27Å; Q153-V155 PolarHBondContact O-N 2.84Å; V155-V157 HydrophobicContact CG1-CG2 4.09Å; V155-V157 PolarHBondContact O-N 3.11Å | ||
| 156 | K | 64.4 | Low | 69.6 | Low | 187 Ų | 187 | 118.3 Ų | 118.3 | 81% | 0.813 | 62% | 0.619 | S | S | * | * | trans | -69.1 | 83 | 168.1 | -175.2 | 172.2 | -178.6 | 171.7 | 0 | 107.6 | V154 R158 | V154-K156 PolarHBondContact O-N 2.76Å; K156-R158 PolarHBondContact O-N 2.91Å | ||
| 157 | V | 65 | Low | 67.2 | Low | 113 Ų | 113 | 123.5 Ų | 123.5 | 69% | 0.685 | 66% | 0.656 | S | S | * | * | trans | -53.7 | 112.3 | 165.3 | 179.1 | 0 | 0 | 0 | 0 | 105.7 | V155 | V155-V157 HydrophobicContact CG1-CG2 4.09Å; V155-V157 PolarHBondContact O-N 3.11Å | ||
| 158 | R | 56.3 | Low | 64.7 | Low | 215 Ų | 215 | 130.1 Ų | 130.1 | 81% | 0.811 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 132.4 | 164.6 | -58.6 | -177.4 | -170.5 | -175.4 | 3.2 | 105.2 | K156 | K156-R158 PolarHBondContact O-N 2.91Š|
| 159 | P | 54.2 | Low | 62.4 | Low | 110 Ų | 110 | 135.8 Ų | 135.8 | 71% | 0.714 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -51 | 140.4 | 165.8 | -23.9 | 34 | 0 | 0 | 0 | 108.9 | M161 | P159-M161 PolarHBondContact O-N 2.89Š|
| 160 | P | 54.8 | Low | 60 | Low | 114 Ų | 114 | 138.7 Ų | 138.7 | 74% | 0.74 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 128.6 | 168 | -22.3 | 33.4 | 0 | 0 | 0 | 108.8 | Q162 | P160-Q162 PolarHBondContact O-N 3.47Š|
| 161 | M | 53.8 | Low | 57.4 | Low | 176 Ų | 176 | 137.9 Ų | 137.9 | 87% | 0.867 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 117.7 | 163.7 | -77.6 | 168.4 | 156.4 | 0 | 0 | 106.3 | P159 D163 | P159-M161 PolarHBondContact O-N 2.89Å; M161-D163 PolarHBondContact O-N 2.92Å |
| 162 | Q | 48.4 | Very low | 55.2 | Low | 190 Ų | 190 | 139.2 Ų | 139.2 | 89% | 0.888 | 77% | 0.773 | S | S | * | * | trans | -87 | 93.5 | 174.9 | -66.2 | -179.5 | -78.2 | 0 | 0 | 107.9 | P160 | P160-Q162 PolarHBondContact O-N 3.47Š| ||
| 163 | D | 45.4 | Very low | 53.1 | Low | 135 Ų | 135 | 140.1 Ų | 140.1 | 72% | 0.722 | 77% | 0.771 | S | S | * | * | trans | -101.8 | 167.1 | 160.7 | -67.8 | -62.8 | 0 | 0 | 0 | 108.9 | M161 | M161-D163 PolarHBondContact O-N 2.92Š| ||
| 164 | D | 51 | Low | 52.2 | Low | 158 Ų | 158 | 143 Ų | 143 | 85% | 0.845 | 78% | 0.784 | S | S | * | * | trans | 73.4 | 72.6 | 174.7 | -56.7 | -30.8 | 0 | 0 | 0 | 119 | ||||
| 165 | D | 49.3 | Very low | 50.8 | Low | 167 Ų | 167 | 143.7 Ų | 143.7 | 89% | 0.893 | 78% | 0.783 | S | S | * | * | 69.1 | 171.1 | 119.6 | -145.6 | 2.2 | 0 | 0 | 0 | 121.2 | |||||
| 166 | A | 43.6 | Very low | 49.9 | Very low | 81 Ų | 81 | 143 Ų | 143 | 67% | 0.669 | 79% | 0.788 | S | S | * | * | trans | -89.7 | 142.1 | -155.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 167 | S | 47.8 | Very low | 48.7 | Very low | 111 Ų | 111 | 138.4 Ų | 138.4 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | -176.9 | 130.5 | 113.1 | 37.2 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 168 | L | 45.8 | Very low | 47.5 | Very low | 172 Ų | 172 | 140.9 Ų | 140.9 | 90% | 0.901 | 79% | 0.789 | S | S | * | * | trans | 22.7 | 109.2 | 143.1 | -54.9 | 172.8 | 0 | 0 | 0 | 120.1 | ||||
| 169 | S | 49.5 | Very low | 46.7 | Very low | 118 Ų | 118 | 135.6 Ų | 135.6 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | 160.5 | 149 | 101.4 | -159.8 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 170 | P | 46 | Very low | 46.1 | Very low | 110 Ų | 110 | 138.2 Ų | 138.2 | 71% | 0.714 | 79% | 0.792 | S | S | * | * | trans | -110.5 | 175.1 | -174.9 | 35.5 | -21.8 | 0 | 0 | 0 | 116 | ||||
| 171 | C | 43 | Very low | 45.3 | Very low | 109 Ų | 109 | 137.1 Ų | 137.1 | 74% | 0.736 | 79% | 0.787 | S | S | * | * | trans | 69.6 | 141.7 | -176.7 | 86 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 172 | H | 48.1 | Very low | 44.8 | Very low | 167 Ų | 167 | 138 Ų | 138 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | cis | -135.2 | 172.8 | 28.5 | -103.7 | -64 | 0 | 0 | 0 | 115.9 | ||||
| 173 | D | 39.9 | Very low | 44.7 | Very low | 129 Ų | 129 | 137 Ų | 137 | 69% | 0.69 | 79% | 0.788 | S | S | * | * | trans | -67.8 | 153.3 | 177.5 | -38.6 | -106.9 | 0 | 0 | 0 | 113.9 | ||||
| 174 | H | 54.4 | Low | 44.7 | Very low | 197 Ų | 197 | 136 Ų | 136 | 91% | 0.912 | 78% | 0.783 | S | S | * | * | trans | -163.3 | 147.8 | 132.7 | -102 | -62.3 | 0 | 0 | 0 | 112.1 | ||||
| 175 | D | 40.1 | Very low | 44.9 | Very low | 149 Ų | 149 | 133.9 Ų | 133.9 | 80% | 0.797 | 78% | 0.776 | S | S | * | * | trans | -76.1 | 138.7 | -177 | 166.9 | 36.5 | 0 | 0 | 0 | 113.6 | S177 | D175-S177 PolarHBondContact OD1-N 3.47Š| ||
| 176 | A | 46.8 | Very low | 44.9 | Very low | 94 Ų | 94 | 130 Ų | 130 | 78% | 0.777 | 76% | 0.761 | S | S | * | * | trans | -162.5 | 96.1 | 149.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 177 | S | 39.1 | Very low | 45 | Very low | 92 Ų | 92 | 131.2 Ų | 131.2 | 64% | 0.643 | 77% | 0.765 | S | S | * | * | trans | -14.3 | 130.3 | 150.4 | -175.3 | 0 | 0 | 0 | 0 | 118.3 | D175 | D175-S177 PolarHBondContact OD1-N 3.47Š| ||
| 178 | L | 40.4 | Very low | 45.3 | Very low | 165 Ų | 165 | 132.8 Ų | 132.8 | 86% | 0.864 | 76% | 0.763 | S | S | * | * | -178.5 | 164.8 | 109.9 | -95 | 176.4 | 0 | 0 | 0 | 113.8 | |||||
| 179 | S | 38.2 | Very low | 45.2 | Very low | 104 Ų | 104 | 132.3 Ų | 132.3 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | trans | -87.1 | 137.6 | -166.5 | 58.2 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 180 | L | 43.5 | Very low | 44.8 | Very low | 165 Ų | 165 | 130.2 Ų | 130.2 | 86% | 0.864 | 76% | 0.758 | S | S | * | * | trans | -140.8 | 114.5 | 155.3 | -72.9 | 179.7 | 0 | 0 | 0 | 106.4 | ||||
| 181 | S | 36.9 | Very low | 44.5 | Very low | 91 Ų | 91 | 128.3 Ų | 128.3 | 64% | 0.636 | 76% | 0.759 | S | S | * | * | 87.3 | 135.6 | 65.6 | 74.8 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 182 | E | 44.4 | Very low | 44.6 | Very low | 193 Ų | 193 | 131.6 Ų | 131.6 | 90% | 0.902 | 77% | 0.768 | S | S | * | * | trans | 70.1 | 104.4 | 173 | -53.1 | -163.9 | 116.3 | 0 | 0 | 117.1 | D184 | E182-D184 PolarHBondContact O-N 2.85Š| ||
| 183 | L | 46 | Very low | 44.1 | Very low | 169 Ų | 169 | 128.7 Ų | 128.7 | 89% | 0.885 | 77% | 0.773 | S | S | * | * | trans | -77.9 | 112.1 | 163.8 | -70.5 | 166.6 | 0 | 0 | 0 | 109.1 | V185 | L183-V185 PolarHBondContact O-N 2.72Š| ||
| 184 | D | 45.1 | Very low | 44 | Very low | 114 Ų | 114 | 128.3 Ų | 128.3 | 61% | 0.61 | 78% | 0.78 | S | S | * | * | trans | -75.5 | 106 | -179 | -179.5 | 21.1 | 0 | 0 | 0 | 112.5 | E182 S186 | E182-D184 PolarHBondContact O-N 2.85Å; D184-S186 PolarHBondContact O-N 2.64Å; D184-S186 VanDerWaalsContact O-N 3.15Å; D184-S186 WeakPolarHBondContact OD1-CB 3.37Å; D184-S186 PolarHBondContact OD1-N 2.81Å; D184-S186 PolarHBondContact OD1-OG 3.45Å; D184-S186 WeakPolarHBondContact OD2-CB 3.28Å | ||
| 185 | V | 55.3 | Low | 43 | Very low | 114 Ų | 114 | 123.9 Ų | 123.9 | 69% | 0.691 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.6 | 28.5 | 177.5 | -158.2 | 0 | 0 | 0 | 0 | 112.1 | L183 I188 | L183-V185 PolarHBondContact O-N 2.72Å; V185-I188 HydrophobicContact CG1-CD1 4.42Å |
| 186 | S | 50 | Low | 42.8 | Very low | 85 Ų | 85 | 121.9 Ų | 121.9 | 59% | 0.594 | 78% | 0.782 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.9 | -25.1 | 174 | -60.1 | 0 | 0 | 0 | 0 | 113.8 | D184 I188 | D184-S186 PolarHBondContact O-N 2.64Å; D184-S186 VanDerWaalsContact O-N 3.15Å; D184-S186 WeakPolarHBondContact OD1-CB 3.37Å; D184-S186 PolarHBondContact OD1-N 2.81Å; D184-S186 PolarHBondContact OD1-OG 3.45Å; D184-S186 WeakPolarHBondContact OD2-CB 3.28Å; S186-I188 PolarHBondContact O-N 2.61Å |
| 187 | S | 45.6 | Very low | 42.2 | Very low | 107 Ų | 107 | 122.5 Ų | 122.5 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | -7.4 | -167.5 | -63.5 | 0 | 0 | 0 | 0 | 116.1 | ||
| 188 | I | 53.1 | Low | 42.1 | Very low | 144 Ų | 144 | 121.7 Ų | 121.7 | 74% | 0.738 | 79% | 0.786 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.4 | -20.9 | -173.1 | -57.6 | -179.6 | 0 | 0 | 0 | 112.6 | V185 S186 | V185-I188 HydrophobicContact CG1-CD1 4.42Å; S186-I188 PolarHBondContact O-N 2.61Å |
| 189 | L | 43.4 | Very low | 42.1 | Very low | 162 Ų | 162 | 122.8 Ų | 122.8 | 85% | 0.848 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -99.5 | 6.3 | -175.4 | -84.7 | 160.7 | 0 | 0 | 0 | 115.1 | G191 | L189-G191 PolarHBondContact O-N 2.75Š|
| 190 | G | 40.6 | Very low | 42.2 | Very low | 75 Ų | 75 | 122 Ų | 122 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -80.2 | -6.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 191 | G | 41.8 | Very low | 42.1 | Very low | 70 Ų | 70 | 119.2 Ų | 119.2 | 72% | 0.722 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -99.3 | -3.9 | -159.3 | 0 | 0 | 0 | 0 | 0 | 119 | L189 | L189-G191 PolarHBondContact O-N 2.75Š|
| 192 | L | 44.4 | Very low | 42.1 | Very low | 177 Ų | 177 | 120.3 Ų | 120.3 | 93% | 0.927 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -122.9 | 7.4 | -161.1 | -73.5 | 171.1 | 0 | 0 | 0 | 117 | ||
| 193 | A | 37.6 | Very low | 41.9 | Very low | 106 Ų | 106 | 116 Ų | 116 | 88% | 0.876 | 79% | 0.786 | S | S | * | * | trans | -115.1 | 55.1 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 194 | S | 36.9 | Very low | 41.5 | Very low | 122 Ų | 122 | 113.6 Ų | 113.6 | 85% | 0.853 | 78% | 0.783 | S | S | * | * | trans | -147 | 47.3 | -179.1 | -172.9 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 195 | A | 34.9 | Very low | 41.6 | Very low | 104 Ų | 104 | 113 Ų | 113 | 86% | 0.86 | 79% | 0.785 | S | S | * | * | trans | -153.9 | 55.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 196 | A | 35.8 | Very low | 40.6 | Very low | 106 Ų | 106 | 115.6 Ų | 115.6 | 88% | 0.876 | 79% | 0.789 | S | S | * | * | trans | -155.6 | 50.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 197 | A | 33.1 | Very low | 40.1 | Very low | 108 Ų | 108 | 120.5 Ų | 120.5 | 89% | 0.893 | 80% | 0.802 | S | S | * | * | trans | -147.4 | 57.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 198 | A | 36.5 | Very low | 39.5 | Very low | 75 Ų | 75 | 123.7 Ų | 123.7 | 62% | 0.62 | 81% | 0.806 | S | S | * | * | trans | -153.3 | 157.5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 199 | H | 42.1 | Very low | 38.6 | Very low | 187 Ų | 187 | 120.4 Ų | 120.4 | 87% | 0.866 | 81% | 0.807 | S | S | * | * | trans | 70.5 | 138.4 | 175.1 | -46 | -72.6 | 0 | 0 | 0 | 117.5 | ||||
| 200 | A | 40.3 | Very low | 38 | Very low | 87 Ų | 87 | 118.4 Ų | 118.4 | 72% | 0.719 | 81% | 0.807 | S | S | * | * | -167.7 | 145 | -66.4 | 0 | 0 | 0 | 0 | 0 | 111 | |||||
| 201 | S | 39.4 | Very low | 37.7 | Very low | 107 Ų | 107 | 119.2 Ų | 119.2 | 75% | 0.748 | 81% | 0.806 | S | S | * | * | trans | 56.2 | 126.9 | 150.7 | 53.2 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 202 | S | 37.2 | Very low | 37.4 | Very low | 115 Ų | 115 | 120.3 Ų | 120.3 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | trans | 62 | 109.3 | 138.9 | 62.6 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 203 | A | 40.3 | Very low | 37 | Very low | 103 Ų | 103 | 120.2 Ų | 120.2 | 85% | 0.851 | 80% | 0.803 | S | S | * | * | -169.2 | 156.6 | 104.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 204 | S | 38 | Very low | 36.9 | Very low | 117 Ų | 117 | 120 Ų | 120 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | -155.1 | 176.2 | 174.6 | -67 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 205 | P | 46.6 | Very low | 36.8 | Very low | 102 Ų | 102 | 122.8 Ų | 122.8 | 66% | 0.662 | 79% | 0.792 | S | S | * | * | cis | -139.5 | -167.1 | 8.6 | 26.9 | 0.6 | 0 | 0 | 0 | 115.5 | ||||
| 206 | H | 35.4 | Very low | 36.9 | Very low | 169 Ų | 169 | 122.2 Ų | 122.2 | 78% | 0.782 | 79% | 0.788 | S | S | * | * | trans | 67.5 | 114.8 | 157.7 | -58.7 | -56.1 | 0 | 0 | 0 | 121.2 | ||||
| 207 | H | 39.1 | Very low | 37 | Very low | 187 Ų | 187 | 121.3 Ų | 121.3 | 87% | 0.866 | 78% | 0.78 | S | S | * | * | -147.2 | 156.2 | 102.7 | -148.3 | -84.3 | 0 | 0 | 0 | 111.2 | |||||
| 208 | Q | 33.1 | Very low | 37.2 | Very low | 175 Ų | 175 | 120.5 Ų | 120.5 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | trans | -93.5 | 148.1 | 170.9 | -66.1 | 175.2 | -5.9 | 0 | 0 | 110.3 | ||||
| 209 | G | 33.6 | Very low | 37.6 | Very low | 75 Ų | 75 | 124.2 Ų | 124.2 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | trans | -166 | 128.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 210 | S | 31.2 | Very low | 37.8 | Very low | 119 Ų | 119 | 127 Ų | 127 | 83% | 0.832 | 78% | 0.78 | S | S | * | * | trans | -63.1 | 135.1 | -177.3 | -176.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 211 | A | 35.2 | Very low | 38.6 | Very low | 93 Ų | 93 | 128.9 Ų | 128.9 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | trans | -150.8 | 46 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 212 | A | 35.3 | Very low | 39.5 | Very low | 92 Ų | 92 | 128 Ų | 128 | 76% | 0.76 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -84.3 | -14.8 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 213 | E | 35.6 | Very low | 40.5 | Very low | 176 Ų | 176 | 126.3 Ų | 126.3 | 82% | 0.822 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -115 | -15.9 | -161.2 | -63.5 | -178.4 | 113.4 | 0 | 0 | 115.5 | F215 | E213-F215 PolarHBondContact O-N 3.03Š|
| 214 | S | 35 | Very low | 41.8 | Very low | 102 Ų | 102 | 125.2 Ų | 125.2 | 71% | 0.713 | 73% | 0.73 | S | S | * | * | G | 310 helix | trans | -79.7 | -13.7 | -172.4 | -57.1 | 0 | 0 | 0 | 0 | 115.8 | A216 | S214-A216 VanDerWaalsContact C-N 3.32Å; S214-A216 PolarHBondContact O-N 3.11Å |
| 215 | F | 36.1 | Very low | 43.2 | Very low | 180 Ų | 180 | 122.6 Ų | 122.6 | 79% | 0.789 | 72% | 0.715 | S | S | * | * | G | 310 helix | trans | -74.1 | -19.4 | -171.5 | -153.8 | -94.4 | 0 | 0 | 0 | 114 | E213 | E213-F215 PolarHBondContact O-N 3.03Š|
| 216 | A | 36.6 | Very low | 43.9 | Very low | 92 Ų | 92 | 120.1 Ų | 120.1 | 76% | 0.76 | 69% | 0.693 | S | S | * | * | G | 310 helix | trans | -78.1 | -24.7 | -177 | 0 | 0 | 0 | 0 | 0 | 114.2 | S214 | S214-A216 VanDerWaalsContact C-N 3.32Å; S214-A216 PolarHBondContact O-N 3.11Å |
| 217 | A | 36.4 | Very low | 45.7 | Very low | 87 Ų | 87 | 116.8 Ų | 116.8 | 72% | 0.719 | 68% | 0.679 | S | S | * | * | G | 310 helix | trans | -80.6 | -28 | -170.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | H219 | A217-H219 PolarHBondContact O-N 2.73Å; A217-H219 VanDerWaalsContact O-N 3.15Å |
| 218 | A | 38.6 | Very low | 47.3 | Very low | 91 Ų | 91 | 111.7 Ų | 111.7 | 75% | 0.752 | 66% | 0.664 | S | S | * | * | G | 310 helix | trans | -72.3 | -6.3 | -170.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 219 | H | 45.4 | Very low | 49 | Very low | 153 Ų | 153 | 108.9 Ų | 108.9 | 71% | 0.708 | 65% | 0.646 | S | S | * | * | G | 310 helix | trans | -94.8 | 3.7 | -164.8 | -112.5 | -60 | 0 | 0 | 0 | 116.5 | A217 M221 | A217-H219 PolarHBondContact O-N 2.73Å; A217-H219 VanDerWaalsContact O-N 3.15Å; H219-M221 PolarHBondContact O-N 2.83Å |
| 220 | R | 44.7 | Very low | 50.2 | Low | 244 Ų | 244 | 107 Ų | 107 | 92% | 0.921 | 62% | 0.617 | S | S | * | * | trans | -94.7 | 76.6 | 175.9 | -89.1 | -173.5 | 168.6 | 170 | -3.1 | 112.6 | ||||
| 221 | M | 58.3 | Low | 52 | Low | 127 Ų | 127 | 103.7 Ų | 103.7 | 63% | 0.626 | 60% | 0.598 | S | S | * | * | trans | -71.3 | 125.5 | 155.5 | -78 | -71.3 | -174.7 | 0 | 0 | 109.5 | A100 H219 | A100-M221 HydrophobicContact CB-CG 4.03Å; H219-M221 PolarHBondContact O-N 2.83Å | ||
| 222 | D | 58.3 | Low | 53.6 | Low | 90 Ų | 90 | 103.1 Ų | 103.1 | 48% | 0.481 | 59% | 0.593 | S | S | . | * | trans | -75.1 | 128.4 | 176 | 176.7 | 35.7 | 0 | 0 | 0 | 111.3 | S224 A225 Y226 | D222-S224 VanDerWaalsContact CG-N 3.27Å; D222-S224 PolarHBondContact OD1-N 3.23Å; D222-S224 WeakPolarHBondContact OD2-CA 3.48Å; D222-S224 WeakPolarHBondContact OD2-CB 3.13Å; D222-S224 PolarHBondContact OD2-N 2.93Å; D222-S224 PolarHBondContact OD2-OG 2.92Å; D222-A225 HydrophobicContact CB-CB 4.34Å; D222-A225 PolarHBondContact OD2-N 2.87Å; D222-Y226 PolarHBondContact O-N 2.85Å | ||
| 223 | M | 57.9 | Low | 54.7 | Low | 78 Ų | 78 | 102.1 Ų | 102.1 | 38% | 0.384 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -78.6 | -19.8 | 174.2 | -90.1 | -72.8 | -176.4 | 0 | 0 | 112.4 | Y226 M227 | M223-Y226 HydrophobicContact CE-CD1 4.4Å; M223-Y226 PolarHBondContact O-N 2.84Å; M223-Y226 HydrophobicContact SD-CD1 3.76Å; M223-Y226 HydrophobicContact SD-CG 4.37Å; M223-M227 VanDerWaalsContact O-CB 3.26Å; M223-M227 WeakPolarHBondContact O-CB 3.31Å; M223-M227 WeakPolarHBondContact O-CG 3.47Å; M223-M227 PolarHBondContact O-N 3.48Å; M223-M227 HydrophobicContact SD-CE 4.1Å |
| 224 | S | 67.5 | Low | 55.5 | Low | 81 Ų | 81 | 96.5 Ų | 96.5 | 57% | 0.566 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -66.5 | -43.8 | 173.3 | 97.9 | 0 | 0 | 0 | 0 | 110.4 | D222 M227 S228 | D222-S224 VanDerWaalsContact CG-N 3.27Å; D222-S224 PolarHBondContact OD1-N 3.23Å; D222-S224 WeakPolarHBondContact OD2-CA 3.48Å; D222-S224 WeakPolarHBondContact OD2-CB 3.13Å; D222-S224 PolarHBondContact OD2-N 2.93Å; D222-S224 PolarHBondContact OD2-OG 2.92Å; S224-M227 PolarHBondContact O-N 2.99Å; S224-S228 WeakPolarHBondContact O-CB 3.44Å; S224-S228 PolarHBondContact O-N 2.89Å |
| 225 | A | 67.4 | Low | 56.5 | Low | 61 Ų | 61 | 96.3 Ų | 96.3 | 50% | 0.504 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -59.3 | -46.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | D222 S228 W229 | D222-A225 HydrophobicContact CB-CB 4.34Å; D222-A225 PolarHBondContact OD2-N 2.87Å; A225-S228 PolarHBondContact O-N 2.84Å; A225-W229 WeakPolarHBondContact O-CB 3.16Å; A225-W229 PolarHBondContact O-N 3.41Å |
| 226 | Y | 61.7 | Low | 57.1 | Low | 50 Ų | 50 | 90.9 Ų | 90.9 | 20% | 0.196 | 55% | 0.551 | C | S | . | * | H | α-helix | trans | -65.6 | -44.6 | 178.4 | -178.1 | -106.4 | 0 | 0 | 0 | 112.9 | D222 M223 W229 M230 | D222-Y226 PolarHBondContact O-N 2.85Å; M223-Y226 HydrophobicContact CE-CD1 4.4Å; M223-Y226 PolarHBondContact O-N 2.84Å; M223-Y226 HydrophobicContact SD-CD1 3.76Å; M223-Y226 HydrophobicContact SD-CG 4.37Å; Y226-W229 HydrophobicContact CD2-CE3 4.09Å; Y226-W229 HydrophobicContact CD2-CZ3 4.44Å; Y226-W229 AromaticContact CE2-CE3 3.92Å; Y226-W229 HydrophobicContact CE2-CE3 3.92Å; Y226-W229 AromaticContact CE2-CZ3 3.81Å; Y226-W229 HydrophobicContact CE2-CZ3 3.81Å; Y226-W229 PolarHBondContact O-N 3.2Å; Y226-M230 HydrophobicContact CE1-CE 3.97Å; Y226-M230 HydrophobicContact CE1-CG 4.17Å; Y226-M230 HydrophobicContact CE1-SD 3.85Å; Y226-M230 HydrophobicContact CE2-CG 4.49Å; Y226-M230 WeakPolarHBondContact O-CG 3.28Å; Y226-M230 PolarHBondContact O-N 3.22Å |
| 227 | M | 72.3 | Confident | 57.6 | Low | 100 Ų | 100 | 89.1 Ų | 89.1 | 49% | 0.493 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -69.2 | -33.7 | 177.6 | -66.8 | -66.5 | -177.9 | 0 | 0 | 112 | M223 S224 M230 A231 | M223-M227 VanDerWaalsContact O-CB 3.26Å; M223-M227 WeakPolarHBondContact O-CB 3.31Å; M223-M227 WeakPolarHBondContact O-CG 3.47Å; M223-M227 PolarHBondContact O-N 3.48Å; M223-M227 HydrophobicContact SD-CE 4.1Å; S224-M227 PolarHBondContact O-N 2.99Å; M227-M230 PolarHBondContact O-N 2.78Å; M227-M230 HydrophobicContact SD-CE 3.75Å; M227-A231 WeakPolarHBondContact O-CB 3.42Å; M227-A231 PolarHBondContact O-N 2.81Å |
| 228 | S | 72.9 | Confident | 58 | Low | 79 Ų | 79 | 88.8 Ų | 88.8 | 55% | 0.552 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -66.6 | -42.6 | 173.4 | -175.2 | 0 | 0 | 0 | 0 | 111.4 | S224 A225 A231 A232 | S224-S228 WeakPolarHBondContact O-CB 3.44Å; S224-S228 PolarHBondContact O-N 2.89Å; A225-S228 PolarHBondContact O-N 2.84Å; S228-A231 PolarHBondContact O-N 3.01Å; S228-A232 WeakPolarHBondContact O-CB 3.16Å; S228-A232 PolarHBondContact O-N 2.88Å |
| 229 | W | 69.1 | Low | 58.4 | Low | 117 Ų | 117 | 89.2 Ų | 89.2 | 44% | 0.443 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -60.6 | -43.8 | 170.9 | 174 | 74 | 0 | 0 | 0 | 112 | Y21 A225 Y226 A231 A232 A233 | Y21-W229 HydrophobicContact CE1-CH2 4.38Å; A225-W229 WeakPolarHBondContact O-CB 3.16Å; A225-W229 PolarHBondContact O-N 3.41Å; Y226-W229 HydrophobicContact CD2-CE3 4.09Å; Y226-W229 HydrophobicContact CD2-CZ3 4.44Å; Y226-W229 AromaticContact CE2-CE3 3.92Å; Y226-W229 HydrophobicContact CE2-CE3 3.92Å; Y226-W229 AromaticContact CE2-CZ3 3.81Å; Y226-W229 HydrophobicContact CE2-CZ3 3.81Å; Y226-W229 PolarHBondContact O-N 3.2Å; W229-A231 PolarHBondContact O-N 2.89Å; W229-A232 PolarHBondContact O-N 2.78Å; W229-A233 VanDerWaalsContact O-CB 3.28Å; W229-A233 WeakPolarHBondContact O-CB 3.45Å; W229-A233 PolarHBondContact O-N 2.94Å |
| 230 | M | 58.7 | Low | 58.3 | Low | 34 Ų | 34 | 86 Ų | 86 | 17% | 0.167 | 54% | 0.537 | C | S | . | . | H | α-helix | trans | -65.5 | -36.2 | 175 | -69.4 | -145.3 | -54.5 | 0 | 0 | 113.3 | T24 Y226 M227 A233 N234 | T24-M230 HydrophobicContact CG2-CE 3.63Å; T24-M230 HydrophobicContact CG2-SD 3.5Å; T24-M230 WeakPolarHBondContact CG2-SD 3.5Å; Y226-M230 HydrophobicContact CE1-CE 3.97Å; Y226-M230 HydrophobicContact CE1-CG 4.17Å; Y226-M230 HydrophobicContact CE1-SD 3.85Å; Y226-M230 HydrophobicContact CE2-CG 4.49Å; Y226-M230 WeakPolarHBondContact O-CG 3.28Å; Y226-M230 PolarHBondContact O-N 3.22Å; M227-M230 PolarHBondContact O-N 2.78Å; M227-M230 HydrophobicContact SD-CE 3.75Å; M230-A233 PolarHBondContact O-N 2.95Å; M230-N234 PolarHBondContact O-N 2.83Å |
| 231 | A | 68.1 | Low | 58.1 | Low | 51 Ų | 51 | 81.9 Ų | 81.9 | 42% | 0.421 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -67 | -38.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | M227 S228 W229 N234 | M227-A231 WeakPolarHBondContact O-CB 3.42Å; M227-A231 PolarHBondContact O-N 2.81Å; S228-A231 PolarHBondContact O-N 3.01Å; W229-A231 PolarHBondContact O-N 2.89Å; A231-N234 CarbonylContact O-C 3.59Å |
| 232 | A | 69.9 | Low | 57.7 | Low | 81 Ų | 81 | 83.2 Ų | 83.2 | 67% | 0.669 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -69.4 | -34.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | S228 W229 | S228-A232 WeakPolarHBondContact O-CB 3.16Å; S228-A232 PolarHBondContact O-N 2.88Å; W229-A232 PolarHBondContact O-N 2.78Å |
| 233 | A | 58.4 | Low | 56.6 | Low | 70 Ų | 70 | 84.4 Ų | 84.4 | 58% | 0.579 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -78.8 | -15.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | W229 M230 | W229-A233 VanDerWaalsContact O-CB 3.28Å; W229-A233 WeakPolarHBondContact O-CB 3.45Å; W229-A233 PolarHBondContact O-N 2.94Å; M230-A233 PolarHBondContact O-N 2.95Å |
| 234 | N | 51.7 | Low | 56 | Low | 59 Ų | 59 | 92 Ų | 92 | 32% | 0.316 | 58% | 0.576 | S | S | . | * | trans | -138.7 | 73.5 | 175.6 | -171.3 | 10.8 | 0 | 0 | 0 | 111.7 | M230 A231 G236 A237 | M230-N234 PolarHBondContact O-N 2.83Å; A231-N234 CarbonylContact O-C 3.59Å; N234-G236 PolarHBondContact O-N 3.3Å; N234-A237 PolarHBondContact O-N 3.44Å; N234-A237 VanDerWaalsContact O-N 3.15Å | ||
| 235 | P | 55.8 | Low | 54.6 | Low | 98 Ų | 98 | 92.2 Ų | 92.2 | 64% | 0.636 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.8 | -18.7 | -175 | 24 | -34.3 | 0 | 0 | 0 | 114.3 | ||
| 236 | G | 49.2 | Very low | 53.5 | Low | 66 Ų | 66 | 95.9 Ų | 95.9 | 68% | 0.68 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.6 | -21.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115 | N234 | N234-G236 PolarHBondContact O-N 3.3Š|
| 237 | A | 47 | Very low | 52.5 | Low | 54 Ų | 54 | 97.8 Ų | 97.8 | 45% | 0.446 | 63% | 0.625 | S | S | . | * | S | Bend | trans | -88.3 | -17.9 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | N234 A239 | N234-A237 PolarHBondContact O-N 3.44Å; N234-A237 VanDerWaalsContact O-N 3.15Å; A237-A239 PolarHBondContact O-N 2.6Å |
| 238 | A | 46.2 | Very low | 51.7 | Low | 80 Ų | 80 | 98.6 Ų | 98.6 | 66% | 0.661 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.6 | -17.1 | -170.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 239 | A | 45.4 | Very low | 50.9 | Low | 100 Ų | 100 | 100.6 Ų | 100.6 | 83% | 0.826 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | -12 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | A237 | A237-A239 PolarHBondContact O-N 2.6Š|
| 240 | A | 44.6 | Very low | 49.8 | Very low | 86 Ų | 86 | 101.4 Ų | 101.4 | 71% | 0.711 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -98 | -7.9 | -162.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 241 | M | 39.1 | Very low | 49.1 | Very low | 157 Ų | 157 | 102.9 Ų | 102.9 | 77% | 0.773 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -134 | 46.2 | -164.3 | -70 | -145.4 | 167.7 | 0 | 0 | 116.9 | ||
| 242 | L | 49.7 | Very low | 47.9 | Very low | 156 Ų | 156 | 109 Ų | 109 | 82% | 0.817 | 72% | 0.718 | S | S | * | * | trans | -144.4 | 106.4 | 161.3 | -77 | -178.7 | 0 | 0 | 0 | 113.7 | ||||
| 243 | P | 36.8 | Very low | 46.6 | Very low | 114 Ų | 114 | 110 Ų | 110 | 74% | 0.74 | 72% | 0.72 | S | S | * | * | trans | -111.7 | 141.4 | 146.3 | 34.2 | -26 | 0 | 0 | 0 | 110.6 | ||||
| 244 | W | 44.4 | Very low | 45.7 | Very low | 239 Ų | 239 | 112 Ų | 112 | 91% | 0.905 | 73% | 0.73 | S | S | * | * | trans | 73.3 | 87.6 | -175.6 | 119.6 | -80.2 | 0 | 0 | 0 | 115.9 | ||||
| 245 | A | 38.9 | Very low | 45.3 | Very low | 85 Ų | 85 | 119.4 Ų | 119.4 | 70% | 0.702 | 76% | 0.76 | S | S | * | * | trans | -157 | 80.7 | 158.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 246 | T | 43 | Very low | 44.5 | Very low | 137 Ų | 137 | 118.2 Ų | 118.2 | 84% | 0.84 | 77% | 0.765 | S | S | * | * | trans | -72.4 | 140 | -173.7 | 41 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 247 | A | 41.4 | Very low | 44.1 | Very low | 90 Ų | 90 | 122.7 Ų | 122.7 | 74% | 0.744 | 77% | 0.773 | S | S | * | * | trans | -23.5 | 142.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 248 | P | 55.3 | Low | 44 | Very low | 117 Ų | 117 | 126.1 Ų | 126.1 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 153.1 | 164.8 | 34.2 | -34.9 | 0 | 0 | 0 | 111.8 | ||
| 249 | P | 56.5 | Low | 43.8 | Very low | 122 Ų | 122 | 132.4 Ų | 132.4 | 79% | 0.792 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 140.2 | 174.1 | 32.1 | -34 | 0 | 0 | 0 | 111.9 | ||
| 250 | P | 45.9 | Very low | 43.9 | Very low | 133 Ų | 133 | 131.5 Ų | 131.5 | 86% | 0.864 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -87.8 | 132.9 | 172.1 | 33.4 | -31.9 | 0 | 0 | 0 | 111.8 | ||
| 251 | G | 43.5 | Very low | 44.4 | Very low | 66 Ų | 66 | 133 Ų | 133 | 68% | 0.68 | 80% | 0.797 | S | S | * | * | trans | 172.7 | 137 | 170.8 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 252 | L | 44 | Very low | 45.3 | Very low | 179 Ų | 179 | 131.3 Ų | 131.3 | 94% | 0.937 | 80% | 0.798 | S | S | * | * | trans | 68.9 | 136.7 | -178.1 | -54.4 | 165.7 | 0 | 0 | 0 | 113.9 | ||||
| 253 | S | 41.2 | Very low | 45.1 | Very low | 102 Ų | 102 | 128.5 Ų | 128.5 | 71% | 0.713 | 79% | 0.791 | S | S | * | * | cis | -150.3 | 140.5 | 2.8 | 50.6 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 254 | S | 40 | Very low | 45.7 | Very low | 112 Ų | 112 | 131 Ų | 131 | 78% | 0.783 | 79% | 0.792 | S | S | * | * | trans | 45.8 | 106.9 | 138.6 | -178.9 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 255 | F | 43.2 | Very low | 46 | Very low | 215 Ų | 215 | 126.6 Ų | 126.6 | 94% | 0.943 | 78% | 0.784 | S | S | * | * | trans | -140 | 150 | 141.9 | -79.4 | -82.5 | 0 | 0 | 0 | 109.7 | ||||
| 256 | G | 39.8 | Very low | 46.3 | Very low | 73 Ų | 73 | 128.3 Ų | 128.3 | 75% | 0.753 | 78% | 0.78 | S | S | * | * | trans | 100.5 | 71.3 | 157.1 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 257 | N | 40 | Very low | 46.3 | Very low | 159 Ų | 159 | 130.3 Ų | 130.3 | 85% | 0.85 | 78% | 0.78 | S | S | * | * | trans | 40.8 | 133.9 | 130.4 | -85.1 | 2.2 | 0 | 0 | 0 | 124 | ||||
| 258 | V | 44.6 | Very low | 46.2 | Very low | 127 Ų | 127 | 137.3 Ų | 137.3 | 77% | 0.77 | 79% | 0.788 | S | S | * | * | trans | 100.4 | 124.1 | 133.2 | 165.8 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 259 | F | 43.3 | Very low | 45.8 | Very low | 211 Ų | 211 | 137.1 Ų | 137.1 | 93% | 0.925 | 79% | 0.786 | S | S | * | * | trans | 78.7 | 163.6 | 161.6 | -116.1 | -105.5 | 0 | 0 | 0 | 121.5 | ||||
| 260 | A | 47.7 | Very low | 45.5 | Very low | 81 Ų | 81 | 138.9 Ų | 138.9 | 67% | 0.669 | 79% | 0.788 | S | S | * | * | trans | -126.9 | 165.3 | -146.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 261 | P | 53.6 | Low | 46 | Very low | 118 Ų | 118 | 138.1 Ų | 138.1 | 77% | 0.766 | 78% | 0.783 | S | S | * | * | trans | -105.8 | -176.8 | -165.1 | 42 | -36.9 | 0 | 0 | 0 | 114.7 | ||||
| 262 | P | 58.8 | Low | 46 | Very low | 122 Ų | 122 | 144.7 Ų | 144.7 | 79% | 0.792 | 79% | 0.793 | S | S | * | * | trans | -137.2 | 125.5 | 138.3 | 35.6 | -21.7 | 0 | 0 | 0 | 116.4 | ||||
| 263 | S | 45.6 | Very low | 46.2 | Very low | 97 Ų | 97 | 140.8 Ų | 140.8 | 68% | 0.678 | 79% | 0.787 | S | S | * | * | trans | 7 | 146.7 | 138.4 | -57.8 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 264 | Q | 50.1 | Low | 46.5 | Very low | 165 Ų | 165 | 139.3 Ų | 139.3 | 77% | 0.771 | 79% | 0.788 | S | S | * | * | trans | 76.5 | 150 | 150 | -69.2 | 174.4 | 97.7 | 0 | 0 | 118 | ||||
| 265 | M | 49.3 | Very low | 46.8 | Very low | 147 Ų | 147 | 140.4 Ų | 140.4 | 72% | 0.724 | 79% | 0.794 | S | S | * | * | cis | -160.4 | 166.5 | -2 | -128.4 | 177.8 | 175.7 | 0 | 0 | 114.1 | ||||
| 266 | L | 45.5 | Very low | 47.3 | Very low | 121 Ų | 121 | 135.7 Ų | 135.7 | 63% | 0.634 | 79% | 0.788 | S | S | * | * | trans | 74.2 | 117.6 | 148.8 | -105.1 | 68.9 | 0 | 0 | 0 | 125 | ||||
| 267 | Q | 42.3 | Very low | 47.8 | Very low | 180 Ų | 180 | 141 Ų | 141 | 84% | 0.841 | 79% | 0.793 | S | S | * | * | 92.9 | 158.9 | 126.1 | -88.7 | 168.7 | 15.6 | 0 | 0 | 125.1 | |||||
| 268 | R | 40.9 | Very low | 48.5 | Very low | 237 Ų | 237 | 138.1 Ų | 138.1 | 89% | 0.894 | 78% | 0.783 | S | S | * | * | trans | -139.5 | -173.9 | -156.2 | -139.9 | -178.2 | 160.9 | -179.1 | -5.4 | 106.1 | ||||
| 269 | P | 45.1 | Very low | 49 | Very low | 112 Ų | 112 | 142.3 Ų | 142.3 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | cis | -136.9 | -166.6 | -8.1 | 41 | -19.9 | 0 | 0 | 0 | 115.4 | ||||
| 270 | L | 50.1 | Low | 49.4 | Very low | 159 Ų | 159 | 137.7 Ų | 137.7 | 83% | 0.832 | 77% | 0.77 | S | S | * | * | trans | -83.3 | 176.5 | 168.6 | -52.5 | 170 | 0 | 0 | 0 | 111.7 | ||||
| 271 | P | 57.4 | Low | 49.6 | Very low | 117 Ų | 117 | 141.2 Ų | 141.2 | 76% | 0.76 | 78% | 0.777 | S | S | * | * | -164.4 | 165.7 | 89 | 45 | -24.5 | 0 | 0 | 0 | 121.1 | |||||
| 272 | F | 43.6 | Very low | 49 | Very low | 204 Ų | 204 | 139.3 Ų | 139.3 | 90% | 0.895 | 78% | 0.779 | S | S | * | * | trans | 78.3 | 151.6 | 136.2 | -107.4 | -104.8 | 0 | 0 | 0 | 128.6 | ||||
| 273 | A | 49 | Very low | 48.2 | Very low | 98 Ų | 98 | 137.1 Ų | 137.1 | 81% | 0.81 | 78% | 0.778 | S | S | * | * | trans | 74.2 | 144.4 | 159 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 274 | G | 46 | Very low | 48.3 | Very low | 71 Ų | 71 | 139.3 Ų | 139.3 | 73% | 0.732 | 79% | 0.787 | S | S | * | * | cis | 164.4 | 158.8 | -11.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 275 | C | 47.7 | Very low | 47.9 | Very low | 135 Ų | 135 | 138.3 Ų | 138.3 | 91% | 0.912 | 79% | 0.791 | S | S | * | * | trans | 67.7 | 152.8 | 174.6 | -77.8 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 276 | S | 52.9 | Low | 47.8 | Very low | 116 Ų | 116 | 135.7 Ų | 135.7 | 81% | 0.811 | 79% | 0.794 | S | S | * | * | cis | -148.5 | 174.9 | 3.5 | -98.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 277 | Q | 49.7 | Very low | 47.8 | Very low | 185 Ų | 185 | 135.9 Ų | 135.9 | 86% | 0.864 | 81% | 0.805 | S | S | * | * | trans | -128.6 | -163.7 | -172.5 | -127.6 | -168.4 | 3.8 | 0 | 0 | 110.3 | ||||
| 278 | P | 55.6 | Low | 47.8 | Very low | 97 Ų | 97 | 130.7 Ų | 130.7 | 63% | 0.63 | 80% | 0.8 | S | S | * | * | cis | -139.7 | -162.8 | -13.5 | 29.1 | -3.1 | 0 | 0 | 0 | 115.6 | ||||
| 279 | R | 54.6 | Low | 48.1 | Very low | 215 Ų | 215 | 128.5 Ų | 128.5 | 81% | 0.811 | 80% | 0.799 | S | S | * | * | trans | 91.4 | 143.6 | 158.1 | -50.9 | -165.7 | 109.9 | 135.2 | 11.9 | 117.9 | ||||
| 280 | D | 51.5 | Low | 48 | Very low | 114 Ų | 114 | 131.3 Ų | 131.3 | 61% | 0.61 | 80% | 0.803 | S | S | * | * | cis | -168.9 | 158.5 | -17.1 | -95.3 | -21.6 | 0 | 0 | 0 | 105.6 | ||||
| 281 | L | 51.7 | Low | 47.7 | Very low | 156 Ų | 156 | 127.4 Ų | 127.4 | 82% | 0.817 | 79% | 0.793 | S | S | * | * | cis | -161.6 | 138 | 0.5 | -126.8 | 171.1 | 0 | 0 | 0 | 110.4 | ||||
| 282 | G | 41.9 | Very low | 47.2 | Very low | 78 Ų | 78 | 130.4 Ų | 130.4 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | trans | 83.4 | 143.4 | 163.6 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 283 | G | 42.4 | Very low | 47.1 | Very low | 75 Ų | 75 | 130.1 Ų | 130.1 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | cis | -178 | 169.8 | -5.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 284 | V | 46 | Very low | 46.7 | Very low | 143 Ų | 143 | 129.1 Ų | 129.1 | 87% | 0.867 | 80% | 0.798 | S | S | * | * | trans | 78.4 | 87.8 | 179.1 | -167.8 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 285 | V | 43.7 | Very low | 46.6 | Very low | 144 Ų | 144 | 132.3 Ų | 132.3 | 87% | 0.873 | 80% | 0.803 | S | S | * | * | trans | 39.1 | 123.3 | 139.3 | -169.1 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 286 | A | 45.6 | Very low | 46.4 | Very low | 93 Ų | 93 | 131.4 Ų | 131.4 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | trans | -141.4 | 160.9 | 165.6 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 287 | S | 45.3 | Very low | 45.9 | Very low | 124 Ų | 124 | 132.2 Ų | 132.2 | 87% | 0.867 | 80% | 0.798 | S | S | * | * | trans | -146.2 | 130.5 | 150 | -73.1 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 288 | G | 44 | Very low | 45.6 | Very low | 71 Ų | 71 | 132.3 Ų | 132.3 | 73% | 0.732 | 80% | 0.801 | S | S | * | * | cis | 93.6 | 123.3 | 49.9 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 289 | E | 46.3 | Very low | 45.1 | Very low | 191 Ų | 191 | 137.4 Ų | 137.4 | 89% | 0.893 | 81% | 0.813 | S | S | * | * | cis | -160.4 | 171.6 | 25.7 | -84.4 | 178.4 | 128.4 | 0 | 0 | 108.2 | ||||
| 290 | H | 43.3 | Very low | 44.4 | Very low | 171 Ų | 171 | 132 Ų | 132 | 79% | 0.792 | 81% | 0.814 | S | S | * | * | cis | -156.4 | 146.7 | -22.9 | -175.1 | -78.3 | 0 | 0 | 0 | 105.7 | ||||
| 291 | A | 43.7 | Very low | 43.8 | Very low | 77 Ų | 77 | 130.3 Ų | 130.3 | 64% | 0.636 | 82% | 0.823 | S | S | * | * | trans | -90.9 | 162.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 292 | M | 47 | Very low | 43.4 | Very low | 181 Ų | 181 | 129.8 Ų | 129.8 | 89% | 0.892 | 83% | 0.827 | S | S | * | * | trans | -167.5 | 136.8 | 135.6 | -104.6 | -54.3 | -133.4 | 0 | 0 | 110.5 | ||||
| 293 | F | 40.8 | Very low | 43.5 | Very low | 197 Ų | 197 | 134.6 Ų | 134.6 | 86% | 0.864 | 83% | 0.831 | S | S | * | * | trans | -91.1 | 146.2 | 172.7 | -89.3 | -102.3 | 0 | 0 | 0 | 110.8 | ||||
| 294 | G | 40.5 | Very low | 43.6 | Very low | 78 Ų | 78 | 140.3 Ų | 140.3 | 80% | 0.804 | 84% | 0.837 | S | S | * | * | trans | -144.2 | 104.8 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 295 | T | 44 | Very low | 43.3 | Very low | 137 Ų | 137 | 144.9 Ų | 144.9 | 84% | 0.84 | 84% | 0.841 | S | S | * | * | trans | -87.5 | 133.8 | 177.9 | 48.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 296 | S | 44.5 | Very low | 43.4 | Very low | 116 Ų | 116 | 143.9 Ų | 143.9 | 81% | 0.811 | 83% | 0.83 | S | S | * | * | trans | -143.3 | 141.9 | 162.2 | -171.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 297 | V | 42.4 | Very low | 43.3 | Very low | 133 Ų | 133 | 148.3 Ų | 148.3 | 81% | 0.806 | 84% | 0.835 | S | S | * | * | trans | -120.4 | 114.8 | -174.9 | 171.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 298 | M | 43.9 | Very low | 43.2 | Very low | 188 Ų | 188 | 150.4 Ų | 150.4 | 93% | 0.926 | 83% | 0.831 | S | S | * | * | trans | -140.1 | 105.4 | 159.9 | -74.4 | -157.7 | -177.5 | 0 | 0 | 113.2 | ||||
| 299 | K | 43.7 | Very low | 43.2 | Very low | 204 Ų | 204 | 155.9 Ų | 155.9 | 89% | 0.887 | 84% | 0.838 | S | S | * | * | trans | -32.6 | 129.3 | 155.2 | 169 | -168.4 | -177.9 | -179.6 | 0 | 115.7 | ||||
| 300 | A | 39.6 | Very low | 43.1 | Very low | 101 Ų | 101 | 151 Ų | 151 | 84% | 0.835 | 83% | 0.83 | S | S | * | * | trans | -176.8 | 156.2 | 133.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 301 | G | 39.6 | Very low | 43.2 | Very low | 78 Ų | 78 | 148.3 Ų | 148.3 | 80% | 0.804 | 83% | 0.827 | S | S | * | * | trans | 108.4 | 75.9 | 163.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 302 | T | 42.4 | Very low | 43.2 | Very low | 145 Ų | 145 | 150.3 Ų | 150.3 | 89% | 0.89 | 83% | 0.834 | S | S | * | * | trans | -80 | 132.6 | 156.8 | -47.3 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 303 | M | 45.2 | Very low | 42.9 | Very low | 180 Ų | 180 | 150.9 Ų | 150.9 | 89% | 0.887 | 84% | 0.835 | S | S | * | * | trans | -125 | 138.8 | 165.7 | -84.2 | -174.5 | 160.8 | 0 | 0 | 109.6 | ||||
| 304 | E | 43.9 | Very low | 42.8 | Very low | 195 Ų | 195 | 150 Ų | 150 | 91% | 0.911 | 83% | 0.833 | S | S | * | * | trans | -71.1 | 142.7 | 176.4 | -94.1 | 160.7 | 89.4 | 0 | 0 | 111.7 | D306 | E304-D306 PolarHBondContact O-N 3.49Š| ||
| 305 | Y | 40.5 | Very low | 42.8 | Very low | 239 Ų | 239 | 155.5 Ų | 155.5 | 94% | 0.937 | 84% | 0.838 | S | S | * | * | trans | -89.6 | 89.6 | 171.6 | -117.6 | -87.3 | 0 | 0 | 0 | 108.6 | ||||
| 306 | D | 45.6 | Very low | 42.8 | Very low | 123 Ų | 123 | 155.1 Ų | 155.1 | 66% | 0.658 | 83% | 0.83 | S | S | * | * | trans | -68.6 | 133.2 | 173.9 | -172.7 | 20.1 | 0 | 0 | 0 | 110.5 | E304 Q308 | E304-D306 PolarHBondContact O-N 3.49Å; D306-Q308 VanDerWaalsContact C-N 3.35Å; D306-Q308 PolarHBondContact O-N 3.15Å; D306-Q308 PolarHBondContact OD2-NE2 3.41Å | ||
| 307 | Q | 42.1 | Very low | 42.6 | Very low | 185 Ų | 185 | 152.4 Ų | 152.4 | 86% | 0.864 | 82% | 0.821 | S | S | * | * | trans | -90.8 | 68 | -166.4 | -172.9 | 166.3 | 85.5 | 0 | 0 | 111 | Q309 | Q307-Q309 PolarHBondContact O-N 3.04Š| ||
| 308 | Q | 44.1 | Very low | 43 | Very low | 168 Ų | 168 | 150.1 Ų | 150.1 | 79% | 0.785 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 120.8 | -177.5 | -68.2 | -170.7 | -3.1 | 0 | 0 | 112.3 | D306 | D306-Q308 VanDerWaalsContact C-N 3.35Å; D306-Q308 PolarHBondContact O-N 3.15Å; D306-Q308 PolarHBondContact OD2-NE2 3.41Å |
| 309 | Q | 43.1 | Very low | 43.7 | Very low | 187 Ų | 187 | 143 Ų | 143 | 87% | 0.874 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 132.3 | -169.5 | -166.1 | 169.3 | 0.2 | 0 | 0 | 111 | Q307 | Q307-Q309 PolarHBondContact O-N 3.04Š|
| 310 | A | 44.9 | Very low | 44.3 | Very low | 87 Ų | 87 | 140 Ų | 140 | 72% | 0.719 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 141.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 311 | P | 45.7 | Very low | 45.2 | Very low | 115 Ų | 115 | 138.8 Ų | 138.8 | 75% | 0.747 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 150.3 | 174.7 | 29.5 | -34.9 | 0 | 0 | 0 | 111 | ||
| 312 | P | 42.9 | Very low | 46.6 | Very low | 120 Ų | 120 | 135 Ų | 135 | 78% | 0.779 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 153.4 | 178.7 | 28.5 | -35.3 | 0 | 0 | 0 | 111.9 | Q314 | P312-Q314 PolarHBondContact O-N 3.48Š|
| 313 | E | 42.4 | Very low | 48 | Very low | 193 Ų | 193 | 128.9 Ų | 128.9 | 90% | 0.902 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 123.1 | -178.6 | -67.1 | 176.4 | 88.3 | 0 | 0 | 111.9 | Q315 | E313-Q315 PolarHBondContact O-N 3.36Š|
| 314 | Q | 38.7 | Very low | 49.6 | Very low | 179 Ų | 179 | 124 Ų | 124 | 84% | 0.836 | 64% | 0.641 | S | S | * | * | trans | -71.5 | 95.8 | 168 | -73 | -172.2 | -2.9 | 0 | 0 | 108.8 | P312 L316 | P312-Q314 PolarHBondContact O-N 3.48Å; Q314-L316 PolarHBondContact O-N 3.25Å | ||
| 315 | Q | 39.8 | Very low | 50.8 | Low | 192 Ų | 192 | 117.8 Ų | 117.8 | 90% | 0.897 | 62% | 0.622 | S | S | * | * | trans | -55.2 | 112.5 | 179.7 | -155.2 | 165.2 | 11.7 | 0 | 0 | 109.5 | E313 G317 | E313-Q315 PolarHBondContact O-N 3.36Å; Q315-G317 PolarHBondContact O-N 3.09Å | ||
| 316 | L | 43.8 | Very low | 51.7 | Low | 129 Ų | 129 | 115 Ų | 115 | 68% | 0.675 | 62% | 0.616 | S | S | * | * | trans | -52.9 | 114.2 | -168.5 | -86.8 | 162.9 | 0 | 0 | 0 | 111.6 | Q314 V318 | Q314-L316 PolarHBondContact O-N 3.25Å; L316-V318 PolarHBondContact O-N 3.46Å | ||
| 317 | G | 39.6 | Very low | 52 | Low | 60 Ų | 60 | 114.6 Ų | 114.6 | 62% | 0.619 | 61% | 0.614 | S | S | * | * | trans | -55 | 111.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q315 D319 | Q315-G317 PolarHBondContact O-N 3.09Å; G317-D319 PolarHBondContact O-N 3.42Å | ||
| 318 | V | 52 | Low | 52.6 | Low | 85 Ų | 85 | 110.9 Ų | 110.9 | 52% | 0.515 | 60% | 0.6 | S | S | . | * | trans | -65.6 | 122.7 | 167 | 177.9 | 0 | 0 | 0 | 0 | 106.6 | L316 E320 W323 | L316-V318 PolarHBondContact O-N 3.46Å; V318-E320 PolarHBondContact O-N 3.41Å; V318-W323 HydrophobicContact CG1-CZ2 4.2Å; V318-W323 VanDerWaalsContact CG1-NE1 3.28Å | ||
| 319 | D | 57.7 | Low | 53 | Low | 37 Ų | 37 | 107.7 Ų | 107.7 | 20% | 0.198 | 59% | 0.59 | C | S | . | * | trans | -69.1 | 97.9 | 175.7 | 179.3 | 12.8 | 0 | 0 | 0 | 109.3 | G317 S321 T322 | G317-D319 PolarHBondContact O-N 3.42Å; D319-S321 PolarHBondContact O-N 2.92Å; D319-S321 VanDerWaalsContact O-N 3.13Å; D319-S321 WeakPolarHBondContact OD1-CB 3.47Å; D319-S321 PolarHBondContact OD1-N 3.41Å; D319-S321 PolarHBondContact OD1-OG 2.78Å; D319-T322 PolarHBondContact O-N 3.02Å | ||
| 320 | E | 55.9 | Low | 53.6 | Low | 143 Ų | 143 | 103.1 Ų | 103.1 | 67% | 0.668 | 57% | 0.573 | S | S | * | * | G | 310 helix | trans | -58.5 | -24.2 | -177.7 | -66 | -165 | 114.3 | 0 | 0 | 112.1 | V318 T322 W323 | V318-E320 PolarHBondContact O-N 3.41Å; E320-T322 PolarHBondContact O-N 3.26Å; E320-W323 PolarHBondContact O-N 3.03Å |
| 321 | S | 58.6 | Low | 54.2 | Low | 74 Ų | 74 | 104.1 Ų | 104.1 | 52% | 0.517 | 56% | 0.564 | S | S | . | * | G | 310 helix | trans | -55.1 | -26.2 | 178.5 | -42.2 | 0 | 0 | 0 | 0 | 114.3 | D319 W323 R324 | D319-S321 PolarHBondContact O-N 2.92Å; D319-S321 VanDerWaalsContact O-N 3.13Å; D319-S321 WeakPolarHBondContact OD1-CB 3.47Å; D319-S321 PolarHBondContact OD1-N 3.41Å; D319-S321 PolarHBondContact OD1-OG 2.78Å; S321-W323 VanDerWaalsContact C-N 3.35Å; S321-R324 PolarHBondContact O-NH2 3.37Å |
| 322 | T | 70.4 | Confident | 54.7 | Low | 0 Ų | 0 | 103.3 Ų | 103.3 | 0% | 0 | 55% | 0.552 | C | S | . | * | G | 310 helix | trans | -79.2 | -18.4 | 179.6 | -59.5 | 0 | 0 | 0 | 0 | 113.1 | F11 H12 P13 Y22 D319 E320 | F11-T322 HydrophobicContact CD2-CG2 3.79Å; F11-T322 HydrophobicContact CE2-CG2 3.4Å; F11-T322 HydrophobicContact CZ-CG2 4.24Å; H12-T322 PolarHBondContact N-O 3.15Å; P13-T322 HydrophobicContact CB-CG2 3.68Å; P13-T322 HydrophobicContact CG-CG2 4.41Å; Y22-T322 HydrophobicContact CE2-CG2 3.9Å; Y22-T322 PolarHBondContact OH-OG1 3.48Å; D319-T322 PolarHBondContact O-N 3.02Å; E320-T322 PolarHBondContact O-N 3.26Å |
| 323 | W | 70.6 | Confident | 55.6 | Low | 15 Ų | 15 | 102.1 Ų | 102.1 | 6% | 0.057 | 54% | 0.536 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 124.3 | -175.1 | -54.1 | 81.7 | 0 | 0 | 0 | 109.3 | E2 L5 F9 F11 A36 M56 V318 E320 S321 | E2-W323 WeakPolarHBondContact OE1-CZ3 3.16Å; L5-W323 HydrophobicContact CD1-CD2 3.87Å; L5-W323 HydrophobicContact CD1-CE3 3.73Å; L5-W323 HydrophobicContact CD1-CG 4.22Å; L5-W323 HydrophobicContact CD1-CZ3 4.28Å; F9-W323 HydrophobicContact CD1-CB 4.29Å; F11-W323 HydrophobicContact CB-CE3 4.04Å; F11-W323 HydrophobicContact CB-CH2 4.08Å; F11-W323 HydrophobicContact CB-CZ3 3.62Å; F11-W323 HydrophobicContact CD2-CD2 4.48Å; F11-W323 HydrophobicContact CD2-CE3 4.44Å; F11-W323 AromaticContact CD2-CH2 3.98Å; F11-W323 HydrophobicContact CD2-CH2 3.98Å; F11-W323 HydrophobicContact CD2-CZ2 4.02Å; F11-W323 HydrophobicContact CD2-CZ3 4.19Å; F11-W323 HydrophobicContact CG-CH2 4.39Å; F11-W323 HydrophobicContact CG-CZ3 4.36Å; A36-W323 HydrophobicContact CB-CH2 3.94Å; A36-W323 HydrophobicContact CB-CZ2 4.13Å; M56-W323 HydrophobicContact CE-CH2 3.93Å; M56-W323 HydrophobicContact CE-CZ3 3.61Å; M56-W323 HydrophobicContact SD-CH2 3.66Å; M56-W323 HydrophobicContact SD-CZ3 3.96Å; V318-W323 HydrophobicContact CG1-CZ2 4.2Å; V318-W323 VanDerWaalsContact CG1-NE1 3.28Å; E320-W323 PolarHBondContact O-N 3.03Å; S321-W323 VanDerWaalsContact C-N 3.35Å |
| 324 | R | 78.4 | Confident | 56.6 | Low | 78 Ų | 78 | 95.2 Ų | 95.2 | 29% | 0.294 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 133.2 | -171 | -66.8 | -179.8 | 168.2 | 102.4 | 14.3 | 110 | F9 R10 H12 E17 S321 F326 | F9-R324 WeakPolarHBondContact CA-O 3.21Å; R10-R324 PolarHBondContact N-O 2.95Å; R10-R324 PolarHBondContact O-N 2.67Å; H12-R324 HydrophobicContact CB-CB 4.47Å; H12-R324 PolarHBondContact O-NH1 3.29Å; E17-R324 IonicContact OE1-CZ 3.32Å; E17-R324 IonicContact OE1-NH1 2.74Å; E17-R324 PolarHBondContact OE1-NH1 3.03Å; E17-R324 IonicContact OE1-NH2 3.49Å; E17-R324 PolarHBondContact OE1-NH2 3.06Å; E17-R324 IonicContact OE2-CZ 2.68Å; E17-R324 IonicContact OE2-NH1 2.96Å; E17-R324 PolarHBondContact OE2-NH1 3.36Å; E17-R324 IonicContact OE2-NH2 3.24Å; E17-R324 PolarHBondContact OE2-NH2 2.94Å; S321-R324 PolarHBondContact O-NH2 3.37Å; R324-F326 HydrophobicContact CB-CE2 4.01Å; R324-F326 WeakPolarHBondContact O-CD2 3.39Å |
| 325 | A | 70.8 | Confident | 58.1 | Low | 64 Ų | 64 | 88.2 Ų | 88.2 | 53% | 0.529 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 142.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | G8 F9 | G8-A325 WeakPolarHBondContact O-CA 3.44Å; F9-A325 HydrophobicContact CD2-CB 4.09Å; F9-A325 HydrophobicContact CE2-CB 3.94Å; F9-A325 HydrophobicContact CG-CB 4.49Å; F9-A325 HydrophobicContact CZ-CB 4.2Å |
| 326 | F | 59.6 | Low | 59.8 | Low | 181 Ų | 181 | 78.7 Ų | 78.7 | 79% | 0.794 | 44% | 0.442 | S | S | * | . | trans | -135.7 | 0 | 174 | -71.4 | -89.1 | 0 | 0 | 0 | 110.1 | G8 H12 R324 | G8-F326 PolarHBondContact O-N 3.07Å; H12-F326 HydrophobicContact CB-CE2 3.81Å; H12-F326 HydrophobicContact CB-CZ 4.14Å; H12-F326 AromaticContact CD2-CZ 3.9Å; H12-F326 AromaticContact CG-CE2 3.89Å; H12-F326 AromaticContact CG-CZ 3.75Å; R324-F326 HydrophobicContact CB-CE2 4.01Å; R324-F326 WeakPolarHBondContact O-CD2 3.39Å |
Retrieved 326 of 326 residues in 214.3 ms
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