| 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 | 65.9 | Low | 93.4 | Very high | 194 Ų | 194 | 67.5 Ų | 67.5 | 96% | 0.956 | 36% | 0.363 | S | S | * | . | 0 | 136.7 | 0 | -141.1 | 114.3 | -170.6 | 0 | 0 | 107.6 | P42 T43 | M1-P42 HydrophobicContact CB-CG 4.44Å; M1-P42 HydrophobicContact CG-CG 4.12Å; M1-T43 WeakPolarHBondContact CB-OG1 3.2Å | |||
| 2 | S | 88.8 | Confident | 93.8 | Very high | 98 Ų | 98 | 63.1 Ų | 63.1 | 69% | 0.685 | 34% | 0.34 | S | S | * | . | trans | -78.7 | 160.4 | 172.2 | 45.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 3 | E | 94.1 | Very high | 94.1 | Very high | 66 Ų | 66 | 58.6 Ų | 58.6 | 31% | 0.308 | 32% | 0.316 | S | S | . | . | trans | -72.2 | 142.8 | 173.6 | -61 | 171.9 | 118.3 | 0 | 0 | 110.4 | Y39 H40 N41 R48 | E3-Y39 HydrophobicContact CB-CD1 3.94Å; E3-H40 CarbonylContact C-O 3.6Å; E3-H40 WeakPolarHBondContact CA-O 3.47Å; E3-N41 HydrophobicContact CG-CB 4.02Å; E3-R48 VanDerWaalsContact CD-NH1 3.34Å; E3-R48 VanDerWaalsContact CD-NH2 3.31Å; E3-R48 IonicContact OE1-CZ 2.97Å; E3-R48 IonicContact OE1-NE 3.55Å; E3-R48 IonicContact OE1-NH1 3.72Å; E3-R48 PolarHBondContact OE1-NH1 3.36Å; E3-R48 IonicContact OE1-NH2 3.37Å; E3-R48 PolarHBondContact OE1-NH2 3.09Å; E3-R48 IonicContact OE2-CZ 3.1Å; E3-R48 IonicContact OE2-NH1 2.73Å; E3-R48 PolarHBondContact OE2-NH1 2.86Å; E3-R48 IonicContact OE2-NH2 2.6Å; E3-R48 PolarHBondContact OE2-NH2 2.95Å | ||
| 4 | T | 96.6 | Very high | 94.3 | Very high | 71 Ų | 71 | 55.2 Ų | 55.2 | 44% | 0.436 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 145.3 | 177.2 | 58.5 | 0 | 0 | 0 | 0 | 110.7 | Y39 H40 | T4-Y39 CarbonylContact O-C 3.5Å; T4-Y39 VanDerWaalsContact O-CA 3.29Å; T4-Y39 WeakPolarHBondContact O-CA 3.17Å; T4-H40 PolarHBondContact N-O 3.04Å; T4-H40 PolarHBondContact O-N 3.47Å |
| 5 | V | 97.3 | Very high | 94.5 | Very high | 65 Ų | 65 | 54.5 Ų | 54.5 | 39% | 0.394 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 125.1 | 174.8 | 175.8 | 0 | 0 | 0 | 0 | 108.5 | C7 Q37 I38 Y39 | V5-C7 VanDerWaalsContact CG1-O 3.25Å; V5-C7 WeakPolarHBondContact CG1-O 3.43Å; V5-Q37 HydrophobicContact CG1-CB 4.19Å; V5-Q37 HydrophobicContact CG1-CG 4.4Å; V5-I38 WeakPolarHBondContact CA-O 3.47Å; V5-Y39 HydrophobicContact CG2-CD1 3.9Å; V5-Y39 HydrophobicContact CG2-CE1 3.43Å; V5-Y39 VanDerWaalsContact CG2-CE1 3.43Å; V5-Y39 HydrophobicContact CG2-CE2 4.32Å |
| 6 | I | 95.3 | Very high | 94.6 | Very high | 63 Ų | 63 | 53.1 Ų | 53.1 | 32% | 0.323 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | -30 | 177.2 | 67.9 | 170.4 | 0 | 0 | 0 | 112.4 | I38 H40 F47 G105 A109 | I6-I38 HydrophobicContact CD1-CB 3.88Å; I6-I38 HydrophobicContact CD1-CG2 3.46Å; I6-I38 VanDerWaalsContact CD1-CG2 3.46Å; I6-I38 HydrophobicContact CG1-CB 3.59Å; I6-I38 HydrophobicContact CG1-CG2 3.66Å; I6-I38 WeakPolarHBondContact CG1-O 3.12Å; I6-I38 PolarHBondContact N-O 2.86Å; I6-H40 HydrophobicContact CG2-CB 3.72Å; I6-F47 HydrophobicContact CD1-CD1 3.98Å; I6-F47 HydrophobicContact CD1-CE1 4.04Å; I6-G105 WeakPolarHBondContact CD1-O 3.42Å; I6-A109 HydrophobicContact CD1-CB 4.14Å |
| 7 | C | 96.3 | Very high | 94.6 | Very high | 16 Ų | 16 | 52.5 Ų | 52.5 | 11% | 0.108 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 155.6 | 174.8 | 76.4 | 0 | 0 | 0 | 0 | 110.6 | V5 Q37 I38 | V5-C7 VanDerWaalsContact CG1-O 3.25Å; V5-C7 WeakPolarHBondContact CG1-O 3.43Å; C7-Q37 VanDerWaalsContact O-CA 3.25Å; C7-Q37 WeakPolarHBondContact O-CA 3.24Å; C7-I38 PolarHBondContact O-N 2.86Å; C7-I38 VanDerWaalsContact O-N 3.14Å; C7-I38 VanDerWaalsContact SG-CD1 3.54Å; C7-I38 WeakPolarHBondContact SG-CG1 3.44Å |
| 8 | S | 97.8 | Very high | 94.5 | Very high | 41 Ų | 41 | 52.7 Ų | 52.7 | 29% | 0.287 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 123.8 | 178.7 | 174.7 | 0 | 0 | 0 | 0 | 108.7 | R35 | S8-R35 PolarHBondContact OG-NE 3.02Å; S8-R35 PolarHBondContact OG-NH2 3.5Å |
| 9 | S | 98.4 | Very high | 94.5 | Very high | 4 Ų | 4 | 53.4 Ų | 53.4 | 3% | 0.028 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 160.3 | -177.2 | -53.1 | 0 | 0 | 0 | 0 | 110.6 | V36 D98 | S9-V36 PolarHBondContact N-O 3.01Å; S9-V36 PolarHBondContact O-N 3.42Å; S9-D98 WeakPolarHBondContact CA-OD1 3.26Å; S9-D98 WeakPolarHBondContact CB-O 3.42Å; S9-D98 PolarHBondContact OG-O 2.93Å |
| 10 | R | 98.2 | Very high | 94.6 | Very high | 125 Ų | 125 | 56.5 Ų | 56.5 | 47% | 0.472 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 122.8 | 178.5 | -174.9 | 177.9 | 59.2 | 161.9 | 1.1 | 111.5 | F33 F93 G94 D98 | R10-F33 HydrophobicContact CG-CB 3.95Å; R10-F33 HydrophobicContact CG-CD1 3.72Å; R10-F33 HydrophobicContact CG-CG 4.01Å; R10-F93 WeakPolarHBondContact O-CA 3.35Å; R10-G94 PolarHBondContact O-N 2.66Å; R10-D98 PolarHBondContact N-OD1 3.33Å |
| 11 | A | 98.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 155.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | S34 V36 L91 N92 F93 | A11-S34 PolarHBondContact N-O 3.18Å; A11-S34 WeakPolarHBondContact O-CA 3.44Å; A11-S34 WeakPolarHBondContact O-CB 3.49Å; A11-S34 PolarHBondContact O-N 2.97Å; A11-S34 VanDerWaalsContact O-O 3.12Å; A11-V36 HydrophobicContact CB-CG2 4.11Å; A11-L91 HydrophobicContact CB-CB 4.15Å; A11-L91 HydrophobicContact CB-CD2 4.43Å; A11-N92 CarbonylContact C-O 3.58Å; A11-N92 VanDerWaalsContact CA-O 3.26Å; A11-N92 WeakPolarHBondContact CA-O 3.48Å; A11-N92 WeakPolarHBondContact CB-O 3.36Å; A11-F93 HydrophobicContact CB-CD1 3.7Å; A11-F93 HydrophobicContact CB-CE1 4Å; A11-F93 HydrophobicContact CB-CG 4.13Å |
| 12 | T | 98.1 | Very high | 96 | Very high | 14 Ų | 14 | 57.1 Ų | 57.1 | 9% | 0.086 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 134.7 | 160.8 | 67.6 | 0 | 0 | 0 | 0 | 108.8 | Q31 F33 N92 | T12-Q31 HydrophobicContact CG2-CG 4.23Å; T12-Q31 PolarHBondContact OG1-NE2 3.03Å; T12-F33 HydrophobicContact CG2-CD1 3.86Å; T12-F33 HydrophobicContact CG2-CE1 4.02Å; T12-F33 HydrophobicContact CG2-CG 4.23Å; T12-N92 PolarHBondContact N-O 2.78Å; T12-N92 PolarHBondContact O-N 2.89Å; T12-N92 WeakPolarHBondContact OG1-CB 3.4Å |
| 13 | V | 97.9 | Very high | 96.4 | Very high | 5 Ų | 5 | 53.4 Ų | 53.4 | 3% | 0.03 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 133 | -178 | -172.2 | 0 | 0 | 0 | 0 | 109.1 | A26 V36 V61 I62 W89 L91 | V13-A26 HydrophobicContact CB-CB 3.94Å; V13-A26 HydrophobicContact CG1-CB 3.64Å; V13-A26 WeakPolarHBondContact O-CB 3.36Å; V13-A26 PolarHBondContact O-N 3.5Å; V13-V36 HydrophobicContact CG2-CG2 3.92Å; V13-V61 HydrophobicContact CB-CG2 3.87Å; V13-V61 HydrophobicContact CG1-CG2 4.39Å; V13-V61 HydrophobicContact CG2-CG2 3.61Å; V13-I62 HydrophobicContact CG1-CB 4Å; V13-I62 HydrophobicContact CG1-CG2 3.98Å; V13-I62 HydrophobicContact CG2-CG2 4.11Å; V13-W89 HydrophobicContact CG1-CE3 3.89Å; V13-W89 HydrophobicContact CG1-CZ3 3.84Å; V13-L91 HydrophobicContact CB-CD2 4.17Å; V13-L91 HydrophobicContact CG1-CD2 4.04Å; V13-L91 HydrophobicContact CG2-CD2 3.77Å |
| 14 | M | 97.5 | Very high | 96.4 | Very high | 11 Ų | 11 | 52.7 Ų | 52.7 | 5% | 0.054 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 150.1 | -177.2 | -53.5 | -171.5 | 85.3 | 0 | 0 | 110.8 | W23 L24 F79 G90 P204 | M14-W23 HydrophobicContact CB-CB 4.44Å; M14-W23 HydrophobicContact CB-CE3 3.83Å; M14-W23 HydrophobicContact CE-CB 3.52Å; M14-W23 HydrophobicContact SD-CB 4.13Å; M14-L24 CarbonylContact C-O 3.47Å; M14-L24 WeakPolarHBondContact CA-O 3.39Å; M14-L24 WeakPolarHBondContact CB-O 3.41Å; M14-F79 HydrophobicContact SD-CE2 4.12Å; M14-G90 PolarHBondContact N-O 3.01Å; M14-G90 PolarHBondContact O-N 3.48Å; M14-P204 HydrophobicContact CE-CG 4.25Å; M14-P204 HydrophobicContact SD-CB 4.45Å; M14-P204 HydrophobicContact SD-CG 4.29Å |
| 15 | L | 96.4 | Very high | 96.4 | Very high | 44 Ų | 44 | 51.9 Ų | 51.9 | 23% | 0.23 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 138.4 | 171.7 | -74.9 | 169.8 | 0 | 0 | 0 | 109.2 | L24 A26 Q87 W89 | L15-L24 PolarHBondContact N-O 3.31Å; L15-L24 PolarHBondContact O-N 2.83Å; L15-A26 HydrophobicContact CD1-CB 4.38Å; L15-A26 HydrophobicContact CG-CB 4.26Å; L15-Q87 HydrophobicContact CD2-CB 4.07Å; L15-Q87 HydrophobicContact CD2-CG 3.96Å; L15-W89 HydrophobicContact CD1-CZ3 4.33Å; L15-W89 HydrophobicContact CD2-CD2 3.77Å; L15-W89 HydrophobicContact CD2-CE3 3.42Å; L15-W89 VanDerWaalsContact CD2-CE3 3.42Å; L15-W89 HydrophobicContact CD2-CH2 3.77Å; L15-W89 HydrophobicContact CD2-CZ2 4.09Å; L15-W89 HydrophobicContact CD2-CZ3 3.43Å; L15-W89 VanDerWaalsContact CD2-CZ3 3.43Å; L15-W89 HydrophobicContact CG-CE3 4.08Å; L15-W89 HydrophobicContact CG-CH2 4.36Å; L15-W89 HydrophobicContact CG-CZ3 3.81Å |
| 16 | Y | 96.9 | Very high | 96.3 | Very high | 32 Ų | 32 | 49 Ų | 49 | 13% | 0.125 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 124 | 173 | -166.8 | -110.4 | 0 | 0 | 0 | 110.4 | D18 K21 W23 V88 A207 | Y16-D18 WeakPolarHBondContact CE1-OD1 3.28Å; Y16-K21 WeakPolarHBondContact OH-CA 3.38Å; Y16-W23 AromaticContact CD2-CD2 3.86Å; Y16-W23 HydrophobicContact CD2-CD2 3.86Å; Y16-W23 AromaticContact CD2-CE2 3.8Å; Y16-W23 HydrophobicContact CD2-CE3 4.27Å; Y16-W23 HydrophobicContact CD2-CG 4.19Å; Y16-W23 HydrophobicContact CD2-CZ2 4.21Å; Y16-V88 PolarHBondContact N-O 2.93Å; Y16-A207 HydrophobicContact CD1-CB 3.94Å; Y16-A207 HydrophobicContact CD2-CB 3.77Å; Y16-A207 HydrophobicContact CE1-CB 3.61Å; Y16-A207 HydrophobicContact CE2-CB 3.45Å; Y16-A207 VanDerWaalsContact CE2-CB 3.45Å; Y16-A207 HydrophobicContact CG-CB 4Å |
| 17 | D | 94.8 | Very high | 96.1 | Very high | 43 Ų | 43 | 48.1 Ų | 48.1 | 23% | 0.23 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 104.6 | 170.3 | 178.3 | -3.7 | 0 | 0 | 0 | 109.3 | G19 N20 K21 R22 L24 | D17-G19 PolarHBondContact O-N 2.93Å; D17-G19 PolarHBondContact OD1-N 3.27Å; D17-N20 PolarHBondContact O-N 2.86Å; D17-N20 PolarHBondContact OD1-N 3.07Å; D17-N20 WeakPolarHBondContact OD2-CB 3.45Å; D17-N20 PolarHBondContact OD2-ND2 3.35Å; D17-K21 WeakPolarHBondContact O-CA 3.37Å; D17-K21 PolarHBondContact O-N 2.93Å; D17-R22 HydrophobicContact CB-CG 4.45Å; D17-R22 PolarHBondContact N-O 2.94Å; D17-R22 PolarHBondContact O-N 3.35Å; D17-L24 HydrophobicContact CB-CD1 3.7Å; D17-L24 HydrophobicContact CB-CG 3.91Å |
| 18 | D | 92.6 | Very high | 95.9 | Very high | 57 Ų | 57 | 52.2 Ų | 52.2 | 31% | 0.305 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -25.7 | -179.4 | -82 | -62.7 | 0 | 0 | 0 | 113.4 | Y16 K21 | Y16-D18 WeakPolarHBondContact CE1-OD1 3.28Å; D18-K21 WeakPolarHBondContact O-CD 3.38Å; D18-K21 WeakPolarHBondContact O-CE 3.41Å; D18-K21 PolarHBondContact O-NZ 3.47Å |
| 19 | G | 94.8 | Very high | 95.5 | Very high | 66 Ų | 66 | 53.1 Ų | 53.1 | 68% | 0.68 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | -45.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | D17 | D17-G19 PolarHBondContact O-N 2.93Å; D17-G19 PolarHBondContact OD1-N 3.27Å |
| 20 | N | 95 | Very high | 95.1 | Very high | 114 Ų | 114 | 58.1 Ų | 58.1 | 61% | 0.61 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | 0.1 | -179.4 | -67.2 | -66.7 | 0 | 0 | 0 | 114.1 | D17 R22 | D17-N20 PolarHBondContact O-N 2.86Å; D17-N20 PolarHBondContact OD1-N 3.07Å; D17-N20 WeakPolarHBondContact OD2-CB 3.45Å; D17-N20 PolarHBondContact OD2-ND2 3.35Å; N20-R22 HydrophobicContact CB-CG 3.76Å; N20-R22 PolarHBondContact O-N 3.36Å |
| 21 | K | 94.5 | Very high | 94.9 | Very high | 131 Ų | 131 | 56.9 Ų | 56.9 | 57% | 0.57 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51 | 41 | -178.2 | -57.9 | -59.8 | -177.3 | -149.4 | 0 | 113.3 | Y16 D17 D18 | Y16-K21 WeakPolarHBondContact OH-CA 3.38Å; D17-K21 WeakPolarHBondContact O-CA 3.37Å; D17-K21 PolarHBondContact O-N 2.93Å; D18-K21 WeakPolarHBondContact O-CD 3.38Å; D18-K21 WeakPolarHBondContact O-CE 3.41Å; D18-K21 PolarHBondContact O-NZ 3.47Å |
| 22 | R | 95.8 | Very high | 94.7 | Very high | 134 Ų | 134 | 57.9 Ų | 57.9 | 51% | 0.506 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 155.7 | -176.7 | 64.7 | 177 | -74.3 | -130.3 | -3 | 111.9 | D17 N20 L24 | D17-R22 HydrophobicContact CB-CG 4.45Å; D17-R22 PolarHBondContact N-O 2.94Å; D17-R22 PolarHBondContact O-N 3.35Å; N20-R22 HydrophobicContact CB-CG 3.76Å; N20-R22 PolarHBondContact O-N 3.36Å; R22-L24 HydrophobicContact CG-CD2 4.03Å |
| 23 | W | 96.7 | Very high | 94.7 | Very high | 19 Ų | 19 | 61.4 Ų | 61.4 | 7% | 0.072 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 134 | 167.9 | -66.2 | 98.7 | 0 | 0 | 0 | 110.5 | M14 Y16 F79 Q81 V88 G90 P204 P205 | M14-W23 HydrophobicContact CB-CB 4.44Å; M14-W23 HydrophobicContact CB-CE3 3.83Å; M14-W23 HydrophobicContact CE-CB 3.52Å; M14-W23 HydrophobicContact SD-CB 4.13Å; Y16-W23 AromaticContact CD2-CD2 3.86Å; Y16-W23 HydrophobicContact CD2-CD2 3.86Å; Y16-W23 AromaticContact CD2-CE2 3.8Å; Y16-W23 HydrophobicContact CD2-CE3 4.27Å; Y16-W23 HydrophobicContact CD2-CG 4.19Å; Y16-W23 HydrophobicContact CD2-CZ2 4.21Å; W23-F79 AromaticContact CD2-CZ 3.88Å; W23-F79 HydrophobicContact CD2-CZ 3.88Å; W23-F79 AromaticContact CE2-CE1 3.89Å; W23-F79 AromaticContact CE2-CZ 3.54Å; W23-F79 HydrophobicContact CE3-CZ 4.19Å; W23-F79 HydrophobicContact CH2-CE1 4.09Å; W23-F79 AromaticContact CH2-CZ 3.87Å; W23-F79 HydrophobicContact CH2-CZ 3.87Å; W23-F79 AromaticContact CZ2-CE1 3.57Å; W23-F79 HydrophobicContact CZ2-CE1 3.57Å; W23-F79 AromaticContact CZ2-CZ 3.54Å; W23-F79 HydrophobicContact CZ2-CZ 3.54Å; W23-F79 HydrophobicContact CZ3-CZ 4.2Å; W23-Q81 HydrophobicContact CH2-CB 4.02Å; W23-V88 HydrophobicContact CH2-CG1 3.88Å; W23-V88 HydrophobicContact CZ3-CG1 4.46Å; W23-G90 VanDerWaalsContact CZ3-CA 3.48Å; W23-P204 HydrophobicContact CB-CG 3.91Å; W23-P204 HydrophobicContact CG-CB 4.1Å; W23-P204 HydrophobicContact CG-CG 3.88Å; W23-P205 PolarHBondContact NE1-O 2.83Å |
| 24 | L | 96.1 | Very high | 94.7 | Very high | 52 Ų | 52 | 61.3 Ų | 61.3 | 27% | 0.272 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 143.2 | 173.8 | -58.6 | -175.2 | 0 | 0 | 0 | 109.4 | M14 L15 D17 R22 | M14-L24 CarbonylContact C-O 3.47Å; M14-L24 WeakPolarHBondContact CA-O 3.39Å; M14-L24 WeakPolarHBondContact CB-O 3.41Å; L15-L24 PolarHBondContact N-O 3.31Å; L15-L24 PolarHBondContact O-N 2.83Å; D17-L24 HydrophobicContact CB-CD1 3.7Å; D17-L24 HydrophobicContact CB-CG 3.91Å; R22-L24 HydrophobicContact CG-CD2 4.03Å |
| 25 | P | 96 | Very high | 94.7 | Very high | 54 Ų | 54 | 66.5 Ų | 66.5 | 35% | 0.351 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.2 | 139.3 | 168.4 | -21.1 | 33.1 | 0 | 0 | 0 | 110.9 | Q31 | P25-Q31 HydrophobicContact CB-CB 4.07Å; P25-Q31 HydrophobicContact CB-CG 4.22Å; P25-Q31 HydrophobicContact CG-CB 4.03Å; P25-Q31 HydrophobicContact CG-CG 4.36Å |
| 26 | A | 95.3 | Very high | 94.8 | Very high | 5 Ų | 5 | 64.4 Ų | 64.4 | 4% | 0.041 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -82.8 | 146.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | V13 L15 V61 W89 | V13-A26 HydrophobicContact CB-CB 3.94Å; V13-A26 HydrophobicContact CG1-CB 3.64Å; V13-A26 WeakPolarHBondContact O-CB 3.36Å; V13-A26 PolarHBondContact O-N 3.5Å; L15-A26 HydrophobicContact CD1-CB 4.38Å; L15-A26 HydrophobicContact CG-CB 4.26Å; A26-V61 HydrophobicContact CB-CB 4.24Å; A26-W89 HydrophobicContact CB-CZ3 4.12Å |
| 27 | G | 90.9 | Very high | 94.9 | Very high | 44 Ų | 44 | 63.9 Ų | 63.9 | 45% | 0.454 | 36% | 0.363 | S | S | . | . | S | Bend | trans | 85.2 | -172.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 28 | T | 90.9 | Very high | 95 | Very high | 101 Ų | 101 | 61.8 Ų | 61.8 | 62% | 0.62 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -102.9 | 153 | 178.4 | 66.6 | 0 | 0 | 0 | 0 | 111 | K53 Q59 | T28-K53 PolarHBondContact O-NZ 2.89Å; T28-Q59 PolarHBondContact O-OE1 3.43Å; T28-Q59 PolarHBondContact OG1-NE2 3.35Å |
| 29 | G | 89.6 | Confident | 95.3 | Very high | 60 Ų | 60 | 60.7 Ų | 60.7 | 62% | 0.619 | 34% | 0.344 | S | S | * | . | S | Bend | trans | 80 | -167.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 30 | P | 90.6 | Very high | 95.4 | Very high | 110 Ų | 110 | 59.5 Ų | 59.5 | 71% | 0.714 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -63.7 | 154.7 | -173.3 | 26.2 | -33.9 | 0 | 0 | 0 | 112.1 | A32 K53 | P30-A32 PolarHBondContact O-N 3.16Å; P30-K53 PolarHBondContact O-NZ 3.23Å |
| 31 | Q | 93.3 | Very high | 95.5 | Very high | 98 Ų | 98 | 55.8 Ų | 55.8 | 46% | 0.458 | 30% | 0.301 | S | S | . | . | trans | -67.8 | 124.6 | 171.1 | -171.9 | 173.1 | 29.6 | 0 | 0 | 108.9 | T12 P25 | T12-Q31 HydrophobicContact CG2-CG 4.23Å; T12-Q31 PolarHBondContact OG1-NE2 3.03Å; P25-Q31 HydrophobicContact CB-CB 4.07Å; P25-Q31 HydrophobicContact CB-CG 4.22Å; P25-Q31 HydrophobicContact CG-CB 4.03Å; P25-Q31 HydrophobicContact CG-CG 4.36Å | ||
| 32 | A | 95.2 | Very high | 95.4 | Very high | 22 Ų | 22 | 52.3 Ų | 52.3 | 18% | 0.182 | 29% | 0.292 | C | S | . | . | trans | -138.5 | 157.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | P30 Q55 | P30-A32 PolarHBondContact O-N 3.16Å; A32-Q55 HydrophobicContact CB-CG 4.21Å | ||
| 33 | F | 97 | Very high | 95.2 | Very high | 88 Ų | 88 | 51 Ų | 51 | 39% | 0.386 | 30% | 0.299 | S | S | . | . | trans | -61.4 | 141.4 | 169.6 | -77.9 | -72.6 | 0 | 0 | 0 | 110.2 | R10 T12 M54 | R10-F33 HydrophobicContact CG-CB 3.95Å; R10-F33 HydrophobicContact CG-CD1 3.72Å; R10-F33 HydrophobicContact CG-CG 4.01Å; T12-F33 HydrophobicContact CG2-CD1 3.86Å; T12-F33 HydrophobicContact CG2-CE1 4.02Å; T12-F33 HydrophobicContact CG2-CG 4.23Å; F33-M54 WeakPolarHBondContact O-CB 3.48Å; F33-M54 PolarHBondContact O-N 2.84Å | ||
| 34 | S | 98.1 | Very high | 94.9 | Very high | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.014 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 146.9 | 175.2 | -58.8 | 0 | 0 | 0 | 0 | 108.9 | A11 V36 R52 | A11-S34 PolarHBondContact N-O 3.18Å; A11-S34 WeakPolarHBondContact O-CA 3.44Å; A11-S34 WeakPolarHBondContact O-CB 3.49Å; A11-S34 PolarHBondContact O-N 2.97Å; A11-S34 VanDerWaalsContact O-O 3.12Å; S34-V36 PolarHBondContact O-N 3.42Å; S34-R52 CarbonylContact C-O 3.42Å; S34-R52 WeakPolarHBondContact CA-O 3.33Å; S34-R52 VanDerWaalsContact CB-O 3.25Å; S34-R52 WeakPolarHBondContact CB-O 3.42Å |
| 35 | R | 98.1 | Very high | 94.7 | Very high | 120 Ų | 120 | 53.4 Ų | 53.4 | 45% | 0.453 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 112.1 | 163.6 | -173.2 | 177.8 | -171.5 | 169.5 | 3 | 107.1 | S8 Q37 G51 R52 M54 | S8-R35 PolarHBondContact OG-NE 3.02Å; S8-R35 PolarHBondContact OG-NH2 3.5Å; R35-Q37 HydrophobicContact CG-CG 4.04Å; R35-G51 VanDerWaalsContact O-CA 3.32Å; R35-G51 WeakPolarHBondContact O-CA 3.43Å; R35-R52 PolarHBondContact N-O 3.24Å; R35-R52 PolarHBondContact O-N 3.04Å; R35-M54 HydrophobicContact CB-CE 3.72Å; R35-M54 HydrophobicContact CB-CG 4.32Å; R35-M54 HydrophobicContact CB-SD 3.69Å |
| 36 | V | 98.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 123.1 | -179.7 | -167.6 | 0 | 0 | 0 | 0 | 108.3 | S9 A11 V13 S34 V49 V50 L91 F102 | S9-V36 PolarHBondContact N-O 3.01Å; S9-V36 PolarHBondContact O-N 3.42Å; A11-V36 HydrophobicContact CB-CG2 4.11Å; V13-V36 HydrophobicContact CG2-CG2 3.92Å; S34-V36 PolarHBondContact O-N 3.42Å; V36-V49 HydrophobicContact CG1-CG1 3.51Å; V36-V50 WeakPolarHBondContact CA-O 3.4Å; V36-L91 HydrophobicContact CG1-CD1 4.09Å; V36-L91 HydrophobicContact CG1-CD2 4.48Å; V36-L91 HydrophobicContact CG2-CD2 4.27Å; V36-F102 HydrophobicContact CB-CE2 4.32Å; V36-F102 HydrophobicContact CG1-CD2 4.41Å; V36-F102 HydrophobicContact CG1-CE2 3.61Å; V36-F102 HydrophobicContact CG1-CZ 4.11Å |
| 37 | Q | 98.5 | Very high | 94.8 | Very high | 21 Ų | 21 | 53.4 Ų | 53.4 | 10% | 0.098 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 143.2 | -173.9 | -60.8 | -179.6 | -88 | 0 | 0 | 109.6 | V5 C7 R35 Y39 V49 V50 | V5-Q37 HydrophobicContact CG1-CB 4.19Å; V5-Q37 HydrophobicContact CG1-CG 4.4Å; C7-Q37 VanDerWaalsContact O-CA 3.25Å; C7-Q37 WeakPolarHBondContact O-CA 3.24Å; R35-Q37 HydrophobicContact CG-CG 4.04Å; Q37-Y39 HydrophobicContact CB-CD2 4.21Å; Q37-Y39 HydrophobicContact CB-CE2 3.75Å; Q37-Y39 PolarHBondContact OE1-OH 3.34Å; Q37-V49 WeakPolarHBondContact O-CA 3.42Å; Q37-V50 PolarHBondContact N-O 2.97Å; Q37-V50 PolarHBondContact O-N 2.98Å |
| 38 | I | 98.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 125.9 | 166.6 | -56 | 177.5 | 0 | 0 | 0 | 107.5 | V5 I6 C7 F47 R48 V49 I66 F102 M106 A109 | V5-I38 WeakPolarHBondContact CA-O 3.47Å; I6-I38 HydrophobicContact CD1-CB 3.88Å; I6-I38 HydrophobicContact CD1-CG2 3.46Å; I6-I38 VanDerWaalsContact CD1-CG2 3.46Å; I6-I38 HydrophobicContact CG1-CB 3.59Å; I6-I38 HydrophobicContact CG1-CG2 3.66Å; I6-I38 WeakPolarHBondContact CG1-O 3.12Å; I6-I38 PolarHBondContact N-O 2.86Å; C7-I38 PolarHBondContact O-N 2.86Å; C7-I38 VanDerWaalsContact O-N 3.14Å; C7-I38 VanDerWaalsContact SG-CD1 3.54Å; C7-I38 WeakPolarHBondContact SG-CG1 3.44Å; I38-F47 HydrophobicContact CG2-CD1 4.42Å; I38-R48 CarbonylContact C-O 3.48Å; I38-R48 WeakPolarHBondContact CA-O 3.49Å; I38-V49 HydrophobicContact CG1-CG2 4.3Å; I38-I66 HydrophobicContact CD1-CD1 4.3Å; I38-I66 HydrophobicContact CG1-CD1 4.46Å; I38-I66 HydrophobicContact CG2-CD1 3.68Å; I38-F102 HydrophobicContact CD1-CD2 4.42Å; I38-F102 HydrophobicContact CD1-CE1 4.4Å; I38-F102 HydrophobicContact CD1-CE2 3.96Å; I38-F102 HydrophobicContact CD1-CZ 3.96Å; I38-F102 HydrophobicContact CG1-CD2 4.39Å; I38-F102 HydrophobicContact CG1-CE2 3.68Å; I38-F102 HydrophobicContact CG1-CZ 3.95Å; I38-M106 HydrophobicContact CD1-CB 4.02Å; I38-M106 HydrophobicContact CD1-CE 4.41Å; I38-A109 HydrophobicContact CG2-CB 4.48Å |
| 39 | Y | 98.2 | Very high | 95.4 | Very high | 34 Ų | 34 | 50.1 Ų | 50.1 | 13% | 0.133 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 142.4 | 176 | -75.8 | -95.2 | 0 | 0 | 0 | 110 | E3 T4 V5 Q37 F47 R48 V50 | E3-Y39 HydrophobicContact CB-CD1 3.94Å; T4-Y39 CarbonylContact O-C 3.5Å; T4-Y39 VanDerWaalsContact O-CA 3.29Å; T4-Y39 WeakPolarHBondContact O-CA 3.17Å; V5-Y39 HydrophobicContact CG2-CD1 3.9Å; V5-Y39 HydrophobicContact CG2-CE1 3.43Å; V5-Y39 VanDerWaalsContact CG2-CE1 3.43Å; V5-Y39 HydrophobicContact CG2-CE2 4.32Å; Q37-Y39 HydrophobicContact CB-CD2 4.21Å; Q37-Y39 HydrophobicContact CB-CE2 3.75Å; Q37-Y39 PolarHBondContact OE1-OH 3.34Å; Y39-F47 CarbonylContact O-C 3.51Å; Y39-F47 VanDerWaalsContact O-CA 3.23Å; Y39-F47 WeakPolarHBondContact O-CA 3.1Å; Y39-R48 PolarHBondContact N-O 3.06Å; Y39-R48 PolarHBondContact O-N 3.35Å; Y39-V50 HydrophobicContact CD2-CB 3.89Å; Y39-V50 HydrophobicContact CD2-CG2 3.7Å; Y39-V50 HydrophobicContact CE2-CB 3.78Å; Y39-V50 HydrophobicContact CE2-CG1 4.43Å; Y39-V50 HydrophobicContact CE2-CG2 3.99Å |
| 40 | H | 97.4 | Very high | 95.8 | Very high | 41 Ų | 41 | 47.6 Ų | 47.6 | 19% | 0.19 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 127.3 | 172.1 | 178.1 | -148 | 0 | 0 | 0 | 109.8 | E3 T4 I6 P42 F47 | E3-H40 CarbonylContact C-O 3.6Å; E3-H40 WeakPolarHBondContact CA-O 3.47Å; T4-H40 PolarHBondContact N-O 3.04Å; T4-H40 PolarHBondContact O-N 3.47Å; I6-H40 HydrophobicContact CG2-CB 3.72Å; H40-P42 WeakPolarHBondContact O-CD 3.49Å; H40-F47 HydrophobicContact CB-CD1 3.75Å; H40-F47 HydrophobicContact CB-CE1 3.55Å; H40-F47 HydrophobicContact CB-CZ 4.35Å; H40-F47 AromaticContact CD2-CD1 3.93Å; H40-F47 AromaticContact CD2-CE1 3.45Å; H40-F47 VanDerWaalsContact CD2-CE1 3.45Å; H40-F47 WeakPolarHBondContact CD2-CE1 3.3Å; H40-F47 AromaticContact CD2-CE2 3.77Å; H40-F47 AromaticContact CD2-CZ 3.35Å; H40-F47 WeakPolarHBondContact CD2-CZ 3.37Å; H40-F47 AromaticContact CG-CE1 3.43Å; H40-F47 VanDerWaalsContact CG-CE1 3.43Å; H40-F47 AromaticContact CG-CZ 3.74Å; H40-F47 AromaticContact NE2-CZ 3.68Å |
| 41 | N | 95.9 | Very high | 96.2 | Very high | 35 Ų | 35 | 42.3 Ų | 42.3 | 19% | 0.187 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 100.8 | 168.6 | -176 | -16 | 0 | 0 | 0 | 108.9 | E3 T43 A44 N45 S46 | E3-N41 HydrophobicContact CG-CB 4.02Å; N41-T43 PolarHBondContact O-N 3.32Å; N41-T43 WeakPolarHBondContact OD1-CB 3.41Å; N41-T43 PolarHBondContact OD1-N 3.26Å; N41-T43 VanDerWaalsContact OD1-N 3.08Å; N41-A44 HydrophobicContact CB-CB 4.45Å; N41-A44 PolarHBondContact O-N 2.9Å; N41-A44 PolarHBondContact OD1-N 2.87Å; N41-N45 WeakPolarHBondContact O-CA 3.23Å; N41-N45 PolarHBondContact O-N 3.41Å; N41-S46 PolarHBondContact N-O 3.06Å; N41-S46 PolarHBondContact O-N 2.82Å; N41-S46 VanDerWaalsContact O-N 3.15Å |
| 42 | P | 92.2 | Very high | 96.4 | Very high | 59 Ų | 59 | 42.3 Ų | 42.3 | 38% | 0.383 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -25.7 | -177.4 | 27.1 | -35 | 0 | 0 | 0 | 112.8 | M1 H40 | M1-P42 HydrophobicContact CB-CG 4.44Å; M1-P42 HydrophobicContact CG-CG 4.12Å; H40-P42 WeakPolarHBondContact O-CD 3.49Å |
| 43 | T | 91.6 | Very high | 96.5 | Very high | 106 Ų | 106 | 41.6 Ų | 41.6 | 65% | 0.65 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70 | -37.2 | 179.1 | -55.5 | 0 | 0 | 0 | 0 | 111.8 | M1 N41 | M1-T43 WeakPolarHBondContact CB-OG1 3.2Å; N41-T43 PolarHBondContact O-N 3.32Å; N41-T43 WeakPolarHBondContact OD1-CB 3.41Å; N41-T43 PolarHBondContact OD1-N 3.26Å; N41-T43 VanDerWaalsContact OD1-N 3.08Å |
| 44 | A | 91.8 | Very high | 96.4 | Very high | 62 Ų | 62 | 41.9 Ų | 41.9 | 51% | 0.512 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99 | -0.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | N41 S46 | N41-A44 HydrophobicContact CB-CB 4.45Å; N41-A44 PolarHBondContact O-N 2.9Å; N41-A44 PolarHBondContact OD1-N 2.87Å; A44-S46 PolarHBondContact O-N 3.4Å |
| 45 | N | 91.9 | Very high | 96.1 | Very high | 59 Ų | 59 | 46.6 Ų | 46.6 | 32% | 0.316 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 42 | 49.1 | -168.1 | -165.2 | 49 | 0 | 0 | 0 | 112.3 | N41 | N41-N45 WeakPolarHBondContact O-CA 3.23Å; N41-N45 PolarHBondContact O-N 3.41Å |
| 46 | S | 95.2 | Very high | 95.8 | Very high | 49 Ų | 49 | 46.9 Ų | 46.9 | 34% | 0.343 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 148.1 | -174.3 | 62.5 | 0 | 0 | 0 | 0 | 111.4 | N41 A44 | N41-S46 PolarHBondContact N-O 3.06Å; N41-S46 PolarHBondContact O-N 2.82Å; N41-S46 VanDerWaalsContact O-N 3.15Å; A44-S46 PolarHBondContact O-N 3.4Å |
| 47 | F | 97.5 | Very high | 95.4 | Very high | 11 Ų | 11 | 51.7 Ų | 51.7 | 5% | 0.048 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 147.8 | 178.6 | -63 | -96.7 | 0 | 0 | 0 | 110.2 | I6 I38 Y39 H40 I66 A109 A112 L113 | I6-F47 HydrophobicContact CD1-CD1 3.98Å; I6-F47 HydrophobicContact CD1-CE1 4.04Å; I38-F47 HydrophobicContact CG2-CD1 4.42Å; Y39-F47 CarbonylContact O-C 3.51Å; Y39-F47 VanDerWaalsContact O-CA 3.23Å; Y39-F47 WeakPolarHBondContact O-CA 3.1Å; H40-F47 HydrophobicContact CB-CD1 3.75Å; H40-F47 HydrophobicContact CB-CE1 3.55Å; H40-F47 HydrophobicContact CB-CZ 4.35Å; H40-F47 AromaticContact CD2-CD1 3.93Å; H40-F47 AromaticContact CD2-CE1 3.45Å; H40-F47 VanDerWaalsContact CD2-CE1 3.45Å; H40-F47 WeakPolarHBondContact CD2-CE1 3.3Å; H40-F47 AromaticContact CD2-CE2 3.77Å; H40-F47 AromaticContact CD2-CZ 3.35Å; H40-F47 WeakPolarHBondContact CD2-CZ 3.37Å; H40-F47 AromaticContact CG-CE1 3.43Å; H40-F47 VanDerWaalsContact CG-CE1 3.43Å; H40-F47 AromaticContact CG-CZ 3.74Å; H40-F47 AromaticContact NE2-CZ 3.68Å; F47-I66 HydrophobicContact CB-CB 4.09Å; F47-I66 HydrophobicContact CB-CD1 3.99Å; F47-I66 HydrophobicContact CB-CG1 4.44Å; F47-I66 PolarHBondContact O-N 2.8Å; F47-A109 HydrophobicContact CB-CB 3.97Å; F47-A109 HydrophobicContact CD1-CB 3.57Å; F47-A109 HydrophobicContact CD2-CB 4.19Å; F47-A109 HydrophobicContact CE1-CB 4.04Å; F47-A109 HydrophobicContact CG-CB 3.65Å; F47-A112 HydrophobicContact CE2-CB 3.69Å; F47-A112 HydrophobicContact CZ-CB 3.67Å; F47-L113 HydrophobicContact CD2-CD1 4.11Å; F47-L113 HydrophobicContact CD2-CD2 4.01Å; F47-L113 HydrophobicContact CD2-CG 3.82Å; F47-L113 HydrophobicContact CE2-CD2 4.45Å; F47-L113 HydrophobicContact CE2-CG 4.22Å |
| 48 | R | 97.1 | Very high | 95.1 | Very high | 76 Ų | 76 | 56.1 Ų | 56.1 | 29% | 0.287 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 145.8 | 174.2 | 66.5 | 177.1 | -161.5 | -140.4 | -4.1 | 112.3 | E3 I38 Y39 V50 C64 | E3-R48 VanDerWaalsContact CD-NH1 3.34Å; E3-R48 VanDerWaalsContact CD-NH2 3.31Å; E3-R48 IonicContact OE1-CZ 2.97Å; E3-R48 IonicContact OE1-NE 3.55Å; E3-R48 IonicContact OE1-NH1 3.72Å; E3-R48 PolarHBondContact OE1-NH1 3.36Å; E3-R48 IonicContact OE1-NH2 3.37Å; E3-R48 PolarHBondContact OE1-NH2 3.09Å; E3-R48 IonicContact OE2-CZ 3.1Å; E3-R48 IonicContact OE2-NH1 2.73Å; E3-R48 PolarHBondContact OE2-NH1 2.86Å; E3-R48 IonicContact OE2-NH2 2.6Å; E3-R48 PolarHBondContact OE2-NH2 2.95Å; I38-R48 CarbonylContact C-O 3.48Å; I38-R48 WeakPolarHBondContact CA-O 3.49Å; Y39-R48 PolarHBondContact N-O 3.06Å; Y39-R48 PolarHBondContact O-N 3.35Å; R48-V50 HydrophobicContact CG-CG2 4.06Å; R48-C64 CarbonylContact C-O 3.58Å; R48-C64 VanDerWaalsContact CA-O 3.23Å; R48-C64 WeakPolarHBondContact CA-O 3.48Å; R48-C64 WeakPolarHBondContact CB-O 3.23Å |
| 49 | V | 98.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 124.6 | 170.1 | -173.3 | 0 | 0 | 0 | 0 | 108.5 | V36 Q37 I38 I62 N63 C64 I66 W82 F102 M106 | V36-V49 HydrophobicContact CG1-CG1 3.51Å; Q37-V49 WeakPolarHBondContact O-CA 3.42Å; I38-V49 HydrophobicContact CG1-CG2 4.3Å; V49-I62 HydrophobicContact CB-CD1 4.38Å; V49-I62 HydrophobicContact CG1-CD1 4.09Å; V49-I62 HydrophobicContact CG1-CG2 4.45Å; V49-N63 WeakPolarHBondContact O-CA 3.25Å; V49-C64 PolarHBondContact N-O 2.82Å; V49-C64 PolarHBondContact O-N 3.1Å; V49-I66 HydrophobicContact CG2-CD1 3.78Å; V49-I66 HydrophobicContact CG2-CG1 3.82Å; V49-W82 HydrophobicContact CB-CZ2 4.36Å; V49-W82 HydrophobicContact CG1-CH2 4.31Å; V49-W82 HydrophobicContact CG1-CZ2 4.34Å; V49-W82 HydrophobicContact CG2-CH2 4.44Å; V49-W82 HydrophobicContact CG2-CZ2 4.03Å; V49-F102 HydrophobicContact CG1-CE2 4.19Å; V49-F102 HydrophobicContact CG1-CZ 3.81Å; V49-F102 HydrophobicContact CG2-CZ 4.1Å; V49-M106 HydrophobicContact CG2-CE 3.75Å |
| 50 | V | 98.1 | Very high | 94.9 | Very high | 6 Ų | 6 | 60 Ų | 60 | 4% | 0.036 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 125.9 | 173.2 | -177.3 | 0 | 0 | 0 | 0 | 108.9 | V36 Q37 Y39 R48 V60 I62 | V36-V50 WeakPolarHBondContact CA-O 3.4Å; Q37-V50 PolarHBondContact N-O 2.97Å; Q37-V50 PolarHBondContact O-N 2.98Å; Y39-V50 HydrophobicContact CD2-CB 3.89Å; Y39-V50 HydrophobicContact CD2-CG2 3.7Å; Y39-V50 HydrophobicContact CE2-CB 3.78Å; Y39-V50 HydrophobicContact CE2-CG1 4.43Å; Y39-V50 HydrophobicContact CE2-CG2 3.99Å; R48-V50 HydrophobicContact CG-CG2 4.06Å; V50-V60 HydrophobicContact CG1-CG1 4.4Å; V50-I62 CarbonylContact C-O 3.58Å; V50-I62 VanDerWaalsContact CA-O 3.3Å; V50-I62 WeakPolarHBondContact CA-O 3.23Å |
| 51 | G | 97.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 127.3 | 177 | 0 | 0 | 0 | 0 | 0 | 110.5 | R35 V60 V61 I62 | R35-G51 VanDerWaalsContact O-CA 3.32Å; R35-G51 WeakPolarHBondContact O-CA 3.43Å; G51-V60 CarbonylContact O-C 3.56Å; G51-V60 WeakPolarHBondContact O-CA 3.3Å; G51-V61 WeakPolarHBondContact O-CG2 3.38Å; G51-V61 PolarHBondContact O-N 3Å; G51-I62 VanDerWaalsContact CA-CG2 3.49Å; G51-I62 PolarHBondContact N-O 2.86Å; G51-I62 PolarHBondContact O-N 2.96Å |
| 52 | R | 97.7 | Very high | 94.9 | Very high | 97 Ų | 97 | 57 Ų | 57 | 37% | 0.366 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 131.6 | 176.9 | -67.6 | 179.7 | -175.3 | 168.8 | 1.1 | 110.2 | S34 R35 M54 Q59 V60 | S34-R52 CarbonylContact C-O 3.42Å; S34-R52 WeakPolarHBondContact CA-O 3.33Å; S34-R52 VanDerWaalsContact CB-O 3.25Å; S34-R52 WeakPolarHBondContact CB-O 3.42Å; R35-R52 PolarHBondContact N-O 3.24Å; R35-R52 PolarHBondContact O-N 3.04Å; R52-M54 PolarHBondContact O-N 3.47Å; R52-Q59 CarbonylContact C-O 3.57Å; R52-Q59 VanDerWaalsContact CA-O 3.26Å; R52-Q59 WeakPolarHBondContact CA-O 3.44Å; R52-V60 HydrophobicContact CG-CG2 3.89Å |
| 53 | K | 96.6 | Very high | 95.1 | Very high | 7 Ų | 7 | 59.2 Ų | 59.2 | 3% | 0.03 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.6 | 137.3 | 175.3 | -69.8 | -168.4 | 178.3 | -169.5 | 0 | 109.7 | T28 P30 Q55 Q59 V61 | T28-K53 PolarHBondContact O-NZ 2.89Å; P30-K53 PolarHBondContact O-NZ 3.23Å; K53-Q55 HydrophobicContact CB-CB 4.33Å; K53-Q55 HydrophobicContact CB-CG 4.36Å; K53-Q55 PolarHBondContact O-N 3.44Å; K53-Q59 HydrophobicContact CD-CB 4.4Å; K53-Q59 HydrophobicContact CG-CB 4.41Å; K53-Q59 PolarHBondContact N-O 3.33Å; K53-V61 HydrophobicContact CD-CG1 3.97Å; K53-V61 VanDerWaalsContact CE-CG1 3.4Å; K53-V61 HydrophobicContact CG-CG1 3.51Å |
| 54 | M | 94.6 | Very high | 95.2 | Very high | 94 Ų | 94 | 54.5 Ų | 54.5 | 46% | 0.463 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -82.3 | 61.1 | 173.3 | -63.9 | -83.2 | 74.3 | 0 | 0 | 109.4 | F33 R35 R52 | F33-M54 WeakPolarHBondContact O-CB 3.48Å; F33-M54 PolarHBondContact O-N 2.84Å; R35-M54 HydrophobicContact CB-CE 3.72Å; R35-M54 HydrophobicContact CB-CG 4.32Å; R35-M54 HydrophobicContact CB-SD 3.69Å; R52-M54 PolarHBondContact O-N 3.47Å |
| 55 | Q | 92 | Very high | 95.4 | Very high | 101 Ų | 101 | 54.3 Ų | 54.3 | 47% | 0.472 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -134.5 | 160.5 | 179.1 | -69.7 | -61.8 | -63 | 0 | 0 | 107.6 | A32 K53 D57 Q58 | A32-Q55 HydrophobicContact CB-CG 4.21Å; K53-Q55 HydrophobicContact CB-CB 4.33Å; K53-Q55 HydrophobicContact CB-CG 4.36Å; K53-Q55 PolarHBondContact O-N 3.44Å; Q55-D57 WeakPolarHBondContact CB-OD1 3.46Å; Q55-D57 PolarHBondContact O-N 3.3Å; Q55-D57 VanDerWaalsContact O-N 3.12Å; Q55-Q58 PolarHBondContact O-N 2.71Å |
| 56 | P | 91.8 | Very high | 95.6 | Very high | 126 Ų | 126 | 51.9 Ų | 51.9 | 82% | 0.818 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -29.5 | -176.4 | -28 | 36.2 | 0 | 0 | 0 | 114.5 | Q58 | P56-Q58 VanDerWaalsContact C-N 3.29Å; P56-Q58 PolarHBondContact O-N 3.47Å |
| 57 | D | 90.7 | Very high | 95.5 | Very high | 102 Ų | 102 | 53.1 Ų | 53.1 | 55% | 0.545 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | -17.9 | 177.9 | 69.1 | -26.9 | 0 | 0 | 0 | 113.9 | Q55 Q59 | Q55-D57 WeakPolarHBondContact CB-OD1 3.46Å; Q55-D57 PolarHBondContact O-N 3.3Å; Q55-D57 VanDerWaalsContact O-N 3.12Å; D57-Q59 PolarHBondContact O-N 2.95Å; D57-Q59 VanDerWaalsContact O-N 3.09Å; D57-Q59 WeakPolarHBondContact OD2-CB 3.32Å |
| 58 | Q | 91.9 | Very high | 95.2 | Very high | 113 Ų | 113 | 60.5 Ų | 60.5 | 53% | 0.528 | 31% | 0.309 | S | S | . | . | trans | 46.5 | 36.9 | -177.2 | -60.1 | -172.1 | 31.6 | 0 | 0 | 114.3 | Q55 P56 V60 | Q55-Q58 PolarHBondContact O-N 2.71Å; P56-Q58 VanDerWaalsContact C-N 3.29Å; P56-Q58 PolarHBondContact O-N 3.47Å; Q58-V60 PolarHBondContact O-N 2.88Å | ||
| 59 | Q | 95.7 | Very high | 94.9 | Very high | 43 Ų | 43 | 59.8 Ų | 59.8 | 20% | 0.201 | 33% | 0.325 | C | S | . | . | trans | -53.2 | 127.6 | -176.5 | 173.2 | 179.6 | 78.3 | 0 | 0 | 111.8 | T28 R52 K53 D57 V61 | T28-Q59 PolarHBondContact O-OE1 3.43Å; T28-Q59 PolarHBondContact OG1-NE2 3.35Å; R52-Q59 CarbonylContact C-O 3.57Å; R52-Q59 VanDerWaalsContact CA-O 3.26Å; R52-Q59 WeakPolarHBondContact CA-O 3.44Å; K53-Q59 HydrophobicContact CD-CB 4.4Å; K53-Q59 HydrophobicContact CG-CB 4.41Å; K53-Q59 PolarHBondContact N-O 3.33Å; D57-Q59 PolarHBondContact O-N 2.95Å; D57-Q59 VanDerWaalsContact O-N 3.09Å; D57-Q59 WeakPolarHBondContact OD2-CB 3.32Å; Q59-V61 HydrophobicContact CG-CG1 4.12Å; Q59-V61 PolarHBondContact O-N 2.92Å | ||
| 60 | V | 97 | Very high | 94.7 | Very high | 73 Ų | 73 | 60.7 Ų | 60.7 | 44% | 0.442 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 115.1 | 169.9 | -179.1 | 0 | 0 | 0 | 0 | 109 | V50 G51 R52 Q58 I62 N63 | V50-V60 HydrophobicContact CG1-CG1 4.4Å; G51-V60 CarbonylContact O-C 3.56Å; G51-V60 WeakPolarHBondContact O-CA 3.3Å; R52-V60 HydrophobicContact CG-CG2 3.89Å; Q58-V60 PolarHBondContact O-N 2.88Å; V60-I62 WeakPolarHBondContact CG1-O 3.35Å; V60-N63 HydrophobicContact CG1-CB 4.03Å |
| 61 | V | 96.7 | Very high | 94.4 | Very high | 11 Ų | 11 | 68.7 Ų | 68.7 | 7% | 0.067 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | -17.4 | -178.2 | -65.6 | 0 | 0 | 0 | 0 | 113.5 | V13 A26 G51 K53 Q59 | V13-V61 HydrophobicContact CB-CG2 3.87Å; V13-V61 HydrophobicContact CG1-CG2 4.39Å; V13-V61 HydrophobicContact CG2-CG2 3.61Å; A26-V61 HydrophobicContact CB-CB 4.24Å; G51-V61 WeakPolarHBondContact O-CG2 3.38Å; G51-V61 PolarHBondContact O-N 3Å; K53-V61 HydrophobicContact CD-CG1 3.97Å; K53-V61 VanDerWaalsContact CE-CG1 3.4Å; K53-V61 HydrophobicContact CG-CG1 3.51Å; Q59-V61 HydrophobicContact CG-CG1 4.12Å; Q59-V61 PolarHBondContact O-N 2.92Å |
| 62 | I | 96.4 | Very high | 94.4 | Very high | 2 Ų | 2 | 70.6 Ų | 70.6 | 1% | 0.01 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 134.6 | 170.6 | -179.1 | 172.5 | 0 | 0 | 0 | 108.5 | V13 V49 V50 G51 V60 C64 W82 W89 | V13-I62 HydrophobicContact CG1-CB 4Å; V13-I62 HydrophobicContact CG1-CG2 3.98Å; V13-I62 HydrophobicContact CG2-CG2 4.11Å; V49-I62 HydrophobicContact CB-CD1 4.38Å; V49-I62 HydrophobicContact CG1-CD1 4.09Å; V49-I62 HydrophobicContact CG1-CG2 4.45Å; V50-I62 CarbonylContact C-O 3.58Å; V50-I62 VanDerWaalsContact CA-O 3.3Å; V50-I62 WeakPolarHBondContact CA-O 3.23Å; G51-I62 VanDerWaalsContact CA-CG2 3.49Å; G51-I62 PolarHBondContact N-O 2.86Å; G51-I62 PolarHBondContact O-N 2.96Å; V60-I62 WeakPolarHBondContact CG1-O 3.35Å; I62-C64 HydrophobicContact CD1-CB 4.19Å; I62-C64 HydrophobicContact CG1-CB 3.94Å; I62-W82 HydrophobicContact CD1-CH2 4.08Å; I62-W82 HydrophobicContact CD1-CZ2 3.63Å; I62-W89 HydrophobicContact CB-CE3 4.21Å; I62-W89 HydrophobicContact CB-CH2 3.81Å; I62-W89 HydrophobicContact CB-CZ2 4.37Å; I62-W89 HydrophobicContact CB-CZ3 3.71Å; I62-W89 HydrophobicContact CD1-CB 4.4Å; I62-W89 HydrophobicContact CD1-CD2 3.41Å; I62-W89 VanDerWaalsContact CD1-CD2 3.41Å; I62-W89 HydrophobicContact CD1-CE3 3.49Å; I62-W89 VanDerWaalsContact CD1-CE3 3.49Å; I62-W89 HydrophobicContact CD1-CG 3.84Å; I62-W89 HydrophobicContact CD1-CH2 4.18Å; I62-W89 HydrophobicContact CD1-CZ2 4.11Å; I62-W89 HydrophobicContact CD1-CZ3 3.88Å; I62-W89 HydrophobicContact CG1-CD2 3.99Å; I62-W89 HydrophobicContact CG1-CE3 3.93Å; I62-W89 HydrophobicContact CG1-CH2 3.67Å; I62-W89 HydrophobicContact CG1-CZ2 3.72Å; I62-W89 HydrophobicContact CG1-CZ3 3.77Å |
| 63 | N | 96.3 | Very high | 94.3 | Very high | 105 Ų | 105 | 69 Ų | 69 | 56% | 0.561 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 89.1 | 168.3 | -174.2 | -1.2 | 0 | 0 | 0 | 106.7 | V49 V60 | V49-N63 WeakPolarHBondContact O-CA 3.25Å; V60-N63 HydrophobicContact CG1-CB 4.03Å |
| 64 | C | 95 | Very high | 94.4 | Very high | 7 Ų | 7 | 74 Ų | 74 | 5% | 0.047 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 127.4 | -169.9 | -174.1 | 0 | 0 | 0 | 0 | 109.9 | R48 V49 I62 | R48-C64 CarbonylContact C-O 3.58Å; R48-C64 VanDerWaalsContact CA-O 3.23Å; R48-C64 WeakPolarHBondContact CA-O 3.48Å; R48-C64 WeakPolarHBondContact CB-O 3.23Å; V49-C64 PolarHBondContact N-O 2.82Å; V49-C64 PolarHBondContact O-N 3.1Å; I62-C64 HydrophobicContact CD1-CB 4.19Å; I62-C64 HydrophobicContact CG1-CB 3.94Å |
| 65 | A | 95.5 | Very high | 94.5 | Very high | 59 Ų | 59 | 71.3 Ų | 71.3 | 49% | 0.488 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 141.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||
| 66 | I | 95.3 | Very high | 94.7 | Very high | 8 Ų | 8 | 69 Ų | 69 | 4% | 0.041 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 116.3 | 167.8 | -58.3 | 169.5 | 0 | 0 | 0 | 105.6 | I38 F47 V49 M106 A109 L110 L113 | I38-I66 HydrophobicContact CD1-CD1 4.3Å; I38-I66 HydrophobicContact CG1-CD1 4.46Å; I38-I66 HydrophobicContact CG2-CD1 3.68Å; F47-I66 HydrophobicContact CB-CB 4.09Å; F47-I66 HydrophobicContact CB-CD1 3.99Å; F47-I66 HydrophobicContact CB-CG1 4.44Å; F47-I66 PolarHBondContact O-N 2.8Å; V49-I66 HydrophobicContact CG2-CD1 3.78Å; V49-I66 HydrophobicContact CG2-CG1 3.82Å; I66-M106 HydrophobicContact CD1-CE 4.01Å; I66-M106 HydrophobicContact CD1-SD 3.67Å; I66-M106 HydrophobicContact CG1-CE 4.3Å; I66-M106 HydrophobicContact CG1-SD 4.08Å; I66-M106 HydrophobicContact CG2-SD 4Å; I66-A109 HydrophobicContact CD1-CB 4.09Å; I66-L110 HydrophobicContact CG2-CD2 3.63Å; I66-L110 HydrophobicContact CG2-CG 4.28Å; I66-L113 HydrophobicContact CB-CD1 4.36Å; I66-L113 HydrophobicContact CG2-CD1 3.9Å; I66-L113 VanDerWaalsContact O-CD1 3.25Å; I66-L113 WeakPolarHBondContact O-CD1 3.49Å |
| 67 | V | 93 | Very high | 94.9 | Very high | 75 Ų | 75 | 67 Ų | 67 | 46% | 0.455 | 37% | 0.368 | S | S | . | . | P | Polyproline II helix | trans | -103.6 | 154.2 | 178 | -59.3 | 0 | 0 | 0 | 0 | 110.6 | G69 V70 | V67-G69 PolarHBondContact O-N 2.77Å; V67-V70 HydrophobicContact CB-CG2 4.43Å; V67-V70 HydrophobicContact CG2-CG2 3.5Å; V67-V70 VanDerWaalsContact O-CG2 3.23Å; V67-V70 WeakPolarHBondContact O-CG2 3.15Å; V67-V70 PolarHBondContact O-N 3.06Å; V67-V70 VanDerWaalsContact O-N 3.16Å |
| 68 | R | 92 | Very high | 95.2 | Very high | 165 Ų | 165 | 64.5 Ų | 64.5 | 62% | 0.623 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | 134.2 | 172.8 | -177.3 | 178.2 | 168.4 | 159.3 | -1.2 | 109.8 | L113 E114 | R68-L113 HydrophobicContact CB-CB 4.38Å; R68-E114 HydrophobicContact CG-CG 4.19Å; R68-E114 PolarHBondContact NH1-O 2.86Å |
| 69 | G | 90.7 | Very high | 95.5 | Very high | 62 Ų | 62 | 59.3 Ų | 59.3 | 64% | 0.639 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.2 | 6 | -179 | 0 | 0 | 0 | 0 | 0 | 115.2 | V67 K71 | V67-G69 PolarHBondContact O-N 2.77Å; G69-K71 PolarHBondContact O-N 2.9Å |
| 70 | V | 93.1 | Very high | 95.7 | Very high | 18 Ų | 18 | 57.3 Ų | 57.3 | 11% | 0.109 | 32% | 0.32 | C | S | . | . | trans | -57.8 | 124.7 | 167.6 | 166.2 | 0 | 0 | 0 | 0 | 109.3 | V67 Y72 W82 L110 | V67-V70 HydrophobicContact CB-CG2 4.43Å; V67-V70 HydrophobicContact CG2-CG2 3.5Å; V67-V70 VanDerWaalsContact O-CG2 3.23Å; V67-V70 WeakPolarHBondContact O-CG2 3.15Å; V67-V70 PolarHBondContact O-N 3.06Å; V67-V70 VanDerWaalsContact O-N 3.16Å; V70-Y72 PolarHBondContact O-N 3.28Å; V70-W82 HydrophobicContact CG1-CB 3.81Å; V70-W82 HydrophobicContact CG1-CG 4.05Å; V70-L110 HydrophobicContact CB-CD2 4.07Å | ||
| 71 | K | 93.2 | Very high | 95.7 | Very high | 175 Ų | 175 | 54 Ų | 54 | 76% | 0.761 | 30% | 0.3 | S | S | * | . | trans | -85.6 | 98 | 175.2 | -171.9 | 173.9 | -179 | 172.7 | 0 | 110.2 | G69 W82 | G69-K71 PolarHBondContact O-N 2.9Å; K71-W82 WeakPolarHBondContact O-CA 3.32Å; K71-W82 WeakPolarHBondContact O-CB 3.46Å | ||
| 72 | Y | 96.7 | Very high | 95.7 | Very high | 40 Ų | 40 | 53.8 Ų | 53.8 | 16% | 0.157 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 127.6 | 172.1 | -175.4 | -108.6 | 0 | 0 | 0 | 111 | V70 Q74 H80 W82 F102 A103 M106 | V70-Y72 PolarHBondContact O-N 3.28Å; Y72-Q74 HydrophobicContact CD1-CG 4.3Å; Y72-Q74 HydrophobicContact CE1-CG 3.71Å; Y72-H80 HydrophobicContact CE2-CB 3.93Å; Y72-H80 AromaticContact CZ-CG 3.98Å; Y72-H80 AromaticContact CZ-ND1 3.66Å; Y72-H80 PolarHBondContact OH-ND1 3.36Å; Y72-W82 HydrophobicContact CD2-CB 4.42Å; Y72-W82 HydrophobicContact CD2-CE3 4.01Å; Y72-W82 HydrophobicContact CE2-CE3 4.03Å; Y72-W82 HydrophobicContact CE2-CZ3 4.4Å; Y72-F102 HydrophobicContact CE2-CD1 4.39Å; Y72-F102 HydrophobicContact CE2-CE1 4.25Å; Y72-F102 WeakPolarHBondContact OH-CD1 3.29Å; Y72-A103 HydrophobicContact CE1-CB 3.85Å; Y72-A103 WeakPolarHBondContact OH-CA 3.45Å; Y72-M106 HydrophobicContact CD1-CG 4.2Å; Y72-M106 HydrophobicContact CD2-CE 4.2Å; Y72-M106 HydrophobicContact CD2-CG 3.68Å; Y72-M106 HydrophobicContact CE1-CG 4.47Å; Y72-M106 HydrophobicContact CE2-CB 4.35Å; Y72-M106 HydrophobicContact CE2-CE 4.31Å; Y72-M106 HydrophobicContact CE2-CG 3.99Å; Y72-M106 HydrophobicContact CG-CG 3.77Å |
| 73 | N | 97 | Very high | 95.6 | Very high | 62 Ų | 62 | 57.9 Ų | 57.9 | 33% | 0.332 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 121.3 | -178.1 | -179 | 29.1 | 0 | 0 | 0 | 111 | A75 H80 Q81 | N73-A75 PolarHBondContact O-N 3.16Å; N73-H80 CarbonylContact O-C 3.57Å; N73-H80 WeakPolarHBondContact O-CA 3.45Å; N73-Q81 HydrophobicContact CB-CG 4.19Å; N73-Q81 PolarHBondContact N-O 3.22Å; N73-Q81 PolarHBondContact O-N 2.97Å |
| 74 | Q | 97.6 | Very high | 95.2 | Very high | 113 Ų | 113 | 54.9 Ų | 54.9 | 53% | 0.528 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 78.2 | 173.4 | -59.4 | -178.1 | 37.5 | 0 | 0 | 109.3 | Y72 T76 H80 | Y72-Q74 HydrophobicContact CD1-CG 4.3Å; Y72-Q74 HydrophobicContact CE1-CG 3.71Å; Q74-T76 VanDerWaalsContact C-N 3.29Å; Q74-T76 PolarHBondContact O-N 3.45Å; Q74-H80 VanDerWaalsContact CA-CD2 3.49Å; Q74-H80 WeakPolarHBondContact CA-CD2 3.44Å |
| 75 | A | 96.2 | Very high | 94.7 | Very high | 38 Ų | 38 | 59.1 Ų | 59.1 | 31% | 0.314 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | -31.9 | -171.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | N73 F79 Q81 P205 | N73-A75 PolarHBondContact O-N 3.16Å; A75-F79 HydrophobicContact CB-CD1 4.15Å; A75-F79 PolarHBondContact N-O 3.37Å; A75-Q81 HydrophobicContact CB-CG 4.41Å; A75-P205 HydrophobicContact CB-CG 3.88Å |
| 76 | T | 96.4 | Very high | 94.2 | Very high | 52 Ų | 52 | 67.1 Ų | 67.1 | 32% | 0.319 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 168.8 | 165.8 | 77.7 | 0 | 0 | 0 | 0 | 109.1 | Q74 N78 F79 H80 P205 | Q74-T76 VanDerWaalsContact C-N 3.29Å; Q74-T76 PolarHBondContact O-N 3.45Å; T76-N78 PolarHBondContact O-N 2.94Å; T76-N78 PolarHBondContact OG1-N 2.96Å; T76-F79 HydrophobicContact CG2-CB 4.34Å; T76-F79 PolarHBondContact N-O 3.17Å; T76-F79 PolarHBondContact O-N 3.41Å; T76-F79 VanDerWaalsContact O-N 3.12Å; T76-F79 WeakPolarHBondContact OG1-CB 3.49Å; T76-F79 PolarHBondContact OG1-N 2.98Å; T76-H80 PolarHBondContact O-CD2 3.39Å; T76-P205 HydrophobicContact CG2-CB 4.39Å; T76-P205 HydrophobicContact CG2-CG 4.06Å |
| 77 | P | 96.8 | Very high | 94 | Very high | 85 Ų | 85 | 69.7 Ų | 69.7 | 55% | 0.552 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -19.8 | 177.5 | -27.7 | 36.4 | 0 | 0 | 0 | 115.7 | K96 A99 | P77-K96 HydrophobicContact CB-CD 4.27Å; P77-K96 HydrophobicContact CB-CG 4.15Å; P77-A99 WeakPolarHBondContact O-CB 3.26Å |
| 78 | N | 97.3 | Very high | 94.2 | Very high | 49 Ų | 49 | 66.2 Ų | 66.2 | 26% | 0.262 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.9 | -1 | 178.5 | -69.7 | -20.4 | 0 | 0 | 0 | 113.1 | T76 N92 F93 S95 K96 | T76-N78 PolarHBondContact O-N 2.94Å; T76-N78 PolarHBondContact OG1-N 2.96Å; N78-N92 CarbonylContact O-C 3.6Å; N78-N92 WeakPolarHBondContact O-CA 3.5Å; N78-F93 WeakPolarHBondContact O-CD2 3.49Å; N78-F93 PolarHBondContact O-N 2.8Å; N78-S95 VanDerWaalsContact OD1-C 3.26Å; N78-S95 PolarHBondContact OD1-O 3.12Å; N78-K96 WeakPolarHBondContact OD1-CA 3.48Å; N78-K96 WeakPolarHBondContact OD1-CG 3.48Å; N78-K96 PolarHBondContact OD1-N 2.92Å; N78-K96 VanDerWaalsContact OD1-N 3.07Å |
| 79 | F | 98.2 | Very high | 94.5 | Very high | 4 Ų | 4 | 59 Ų | 59 | 2% | 0.018 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 107.6 | -177.3 | -170.4 | -91.7 | 0 | 0 | 0 | 110 | M14 W23 A75 T76 Q81 L91 N92 P204 P205 | M14-F79 HydrophobicContact SD-CE2 4.12Å; W23-F79 AromaticContact CD2-CZ 3.88Å; W23-F79 HydrophobicContact CD2-CZ 3.88Å; W23-F79 AromaticContact CE2-CE1 3.89Å; W23-F79 AromaticContact CE2-CZ 3.54Å; W23-F79 HydrophobicContact CE3-CZ 4.19Å; W23-F79 HydrophobicContact CH2-CE1 4.09Å; W23-F79 AromaticContact CH2-CZ 3.87Å; W23-F79 HydrophobicContact CH2-CZ 3.87Å; W23-F79 AromaticContact CZ2-CE1 3.57Å; W23-F79 HydrophobicContact CZ2-CE1 3.57Å; W23-F79 AromaticContact CZ2-CZ 3.54Å; W23-F79 HydrophobicContact CZ2-CZ 3.54Å; W23-F79 HydrophobicContact CZ3-CZ 4.2Å; A75-F79 HydrophobicContact CB-CD1 4.15Å; A75-F79 PolarHBondContact N-O 3.37Å; T76-F79 HydrophobicContact CG2-CB 4.34Å; T76-F79 PolarHBondContact N-O 3.17Å; T76-F79 PolarHBondContact O-N 3.41Å; T76-F79 VanDerWaalsContact O-N 3.12Å; T76-F79 WeakPolarHBondContact OG1-CB 3.49Å; T76-F79 PolarHBondContact OG1-N 2.98Å; F79-Q81 HydrophobicContact CE1-CB 4.26Å; F79-L91 VanDerWaalsContact CA-O 3.3Å; F79-L91 WeakPolarHBondContact CA-O 3.39Å; F79-N92 HydrophobicContact CD2-CB 3.8Å; F79-N92 HydrophobicContact CE2-CB 4.25Å; F79-P204 HydrophobicContact CD2-CB 4.14Å; F79-P204 HydrophobicContact CE2-CB 3.74Å; F79-P204 HydrophobicContact CZ-CB 3.99Å; F79-P205 HydrophobicContact CB-CG 4.45Å; F79-P205 VanDerWaalsContact CD1-CD 3.45Å; F79-P205 HydrophobicContact CD1-CG 3.42Å; F79-P205 VanDerWaalsContact CD1-CG 3.42Å; F79-P205 HydrophobicContact CE1-CG 3.87Å; F79-P205 HydrophobicContact CG-CG 4.08Å |
| 80 | H | 98.4 | Very high | 94.8 | Very high | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 152.5 | 178.8 | -52.5 | 165.6 | 0 | 0 | 0 | 110 | Y72 N73 Q74 T76 G90 L91 F93 A99 | Y72-H80 HydrophobicContact CE2-CB 3.93Å; Y72-H80 AromaticContact CZ-CG 3.98Å; Y72-H80 AromaticContact CZ-ND1 3.66Å; Y72-H80 PolarHBondContact OH-ND1 3.36Å; N73-H80 CarbonylContact O-C 3.57Å; N73-H80 WeakPolarHBondContact O-CA 3.45Å; Q74-H80 VanDerWaalsContact CA-CD2 3.49Å; Q74-H80 WeakPolarHBondContact CA-CD2 3.44Å; T76-H80 PolarHBondContact O-CD2 3.39Å; H80-G90 CarbonylContact O-C 3.5Å; H80-G90 WeakPolarHBondContact O-CA 3.45Å; H80-L91 PolarHBondContact N-O 3.41Å; H80-L91 PolarHBondContact O-N 2.85Å; H80-F93 HydrophobicContact CB-CE2 3.83Å; H80-F93 AromaticContact CG-CE2 3.58Å; H80-F93 AromaticContact ND1-CE2 3.35Å; H80-F93 VanDerWaalsContact ND1-CE2 3.35Å; H80-F93 WeakPolarHBondContact ND1-CE2 3.44Å; H80-F93 AromaticContact ND1-CZ 3.97Å; H80-A99 PolarHBondContact CE1-O 3.45Å |
| 81 | Q | 97.9 | Very high | 95.1 | Very high | 4 Ų | 4 | 55.2 Ų | 55.2 | 2% | 0.019 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 154.8 | -177.8 | 58 | 170.8 | 103.8 | 0 | 0 | 111.8 | W23 N73 A75 F79 W89 | W23-Q81 HydrophobicContact CH2-CB 4.02Å; N73-Q81 HydrophobicContact CB-CG 4.19Å; N73-Q81 PolarHBondContact N-O 3.22Å; N73-Q81 PolarHBondContact O-N 2.97Å; A75-Q81 HydrophobicContact CB-CG 4.41Å; F79-Q81 HydrophobicContact CE1-CB 4.26Å; Q81-W89 CarbonylContact C-O 3.58Å; Q81-W89 WeakPolarHBondContact CA-O 3.45Å; Q81-W89 WeakPolarHBondContact CB-O 3.5Å |
| 82 | W | 97.2 | Very high | 95.3 | Very high | 6 Ų | 6 | 49.6 Ų | 49.6 | 2% | 0.023 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 161.1 | 172.1 | 64.8 | 97.8 | 0 | 0 | 0 | 109.8 | V49 I62 V70 K71 Y72 V88 W89 L91 F102 M106 | V49-W82 HydrophobicContact CB-CZ2 4.36Å; V49-W82 HydrophobicContact CG1-CH2 4.31Å; V49-W82 HydrophobicContact CG1-CZ2 4.34Å; V49-W82 HydrophobicContact CG2-CH2 4.44Å; V49-W82 HydrophobicContact CG2-CZ2 4.03Å; I62-W82 HydrophobicContact CD1-CH2 4.08Å; I62-W82 HydrophobicContact CD1-CZ2 3.63Å; V70-W82 HydrophobicContact CG1-CB 3.81Å; V70-W82 HydrophobicContact CG1-CG 4.05Å; K71-W82 WeakPolarHBondContact O-CA 3.32Å; K71-W82 WeakPolarHBondContact O-CB 3.46Å; Y72-W82 HydrophobicContact CD2-CB 4.42Å; Y72-W82 HydrophobicContact CD2-CE3 4.01Å; Y72-W82 HydrophobicContact CE2-CE3 4.03Å; Y72-W82 HydrophobicContact CE2-CZ3 4.4Å; W82-V88 WeakPolarHBondContact O-CA 3.37Å; W82-V88 WeakPolarHBondContact O-CG1 3.35Å; W82-W89 HydrophobicContact CD2-CB 3.96Å; W82-W89 AromaticContact CE2-CD1 3.96Å; W82-W89 AromaticContact CE2-CG 3.99Å; W82-W89 HydrophobicContact CE3-CB 4.33Å; W82-W89 HydrophobicContact CH2-CB 4.04Å; W82-W89 HydrophobicContact CZ2-CB 3.65Å; W82-W89 AromaticContact CZ2-CG 3.99Å; W82-W89 HydrophobicContact CZ2-CG 3.99Å; W82-W89 HydrophobicContact CZ3-CB 4.37Å; W82-W89 PolarHBondContact N-O 3.31Å; W82-W89 AromaticContact NE1-CD1 3.53Å; W82-W89 PolarHBondContact O-N 3.01Å; W82-L91 HydrophobicContact CH2-CD1 3.65Å; W82-L91 HydrophobicContact CH2-CD2 4.38Å; W82-L91 HydrophobicContact CH2-CG 3.8Å; W82-L91 HydrophobicContact CZ3-CD1 3.62Å; W82-L91 HydrophobicContact CZ3-CG 3.71Å; W82-F102 HydrophobicContact CH2-CE1 4.38Å; W82-F102 HydrophobicContact CH2-CZ 4.38Å; W82-F102 HydrophobicContact CZ3-CE1 4.18Å; W82-M106 HydrophobicContact CD2-CE 4.44Å; W82-M106 HydrophobicContact CE3-CE 4.46Å |
| 83 | R | 94.3 | Very high | 95.4 | Very high | 88 Ų | 88 | 48 Ų | 48 | 33% | 0.332 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 129.7 | 175 | -178.6 | 173.6 | -65.7 | -82 | 1 | 109.1 | V88 L210 | R83-V88 HydrophobicContact CG-CG2 4.47Å; R83-V88 VanDerWaalsContact NH1-CG2 3.32Å; R83-L210 VanDerWaalsContact CZ-CD2 3.45Å |
| 84 | D | 88 | Confident | 95.3 | Very high | 41 Ų | 41 | 46.4 Ų | 46.4 | 22% | 0.219 | 25% | 0.249 | C | C | . | . | trans | -99.4 | 176.5 | 163.7 | 179.4 | 33.4 | 0 | 0 | 0 | 109.2 | R86 Q87 | D84-R86 PolarHBondContact O-N 3.34Å; D84-Q87 PolarHBondContact N-O 3.19Å | ||
| 85 | A | 82.8 | Confident | 95.3 | Very high | 96 Ų | 96 | 42.5 Ų | 42.5 | 79% | 0.793 | 23% | 0.234 | S | C | * | . | S | Bend | trans | -53.3 | -25 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 86 | R | 85.7 | Confident | 95.4 | Very high | 228 Ų | 228 | 46.7 Ų | 46.7 | 86% | 0.86 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -123.7 | -24.1 | -173 | -63.8 | -179.9 | 179.3 | -86.8 | -0.9 | 115.1 | D84 | D84-R86 PolarHBondContact O-N 3.34Š|
| 87 | Q | 92.5 | Very high | 95.4 | Very high | 62 Ų | 62 | 50.1 Ų | 50.1 | 29% | 0.29 | 26% | 0.258 | S | S | . | . | trans | -148.4 | 158.4 | -166.2 | 65 | -159.4 | -34.7 | 0 | 0 | 111.2 | L15 D84 W89 | L15-Q87 HydrophobicContact CD2-CB 4.07Å; L15-Q87 HydrophobicContact CD2-CG 3.96Å; D84-Q87 PolarHBondContact N-O 3.19Å; Q87-W89 VanDerWaalsContact CD-CZ2 3.42Å; Q87-W89 HydrophobicContact CG-CD2 4.45Å; Q87-W89 HydrophobicContact CG-CZ2 4.19Å | ||
| 88 | V | 96.4 | Very high | 95.5 | Very high | 2 Ų | 2 | 47.3 Ų | 47.3 | 1% | 0.012 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 120.6 | 171.4 | -168.9 | 0 | 0 | 0 | 0 | 108.1 | Y16 W23 W82 R83 | Y16-V88 PolarHBondContact N-O 2.93Å; W23-V88 HydrophobicContact CH2-CG1 3.88Å; W23-V88 HydrophobicContact CZ3-CG1 4.46Å; W82-V88 WeakPolarHBondContact O-CA 3.37Å; W82-V88 WeakPolarHBondContact O-CG1 3.35Å; R83-V88 HydrophobicContact CG-CG2 4.47Å; R83-V88 VanDerWaalsContact NH1-CG2 3.32Å |
| 89 | W | 97.6 | Very high | 95.5 | Very high | 13 Ų | 13 | 45 Ų | 45 | 5% | 0.049 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 137.3 | 174.4 | -68.2 | 106.8 | 0 | 0 | 0 | 109.7 | V13 L15 A26 I62 Q81 W82 Q87 | V13-W89 HydrophobicContact CG1-CE3 3.89Å; V13-W89 HydrophobicContact CG1-CZ3 3.84Å; L15-W89 HydrophobicContact CD1-CZ3 4.33Å; L15-W89 HydrophobicContact CD2-CD2 3.77Å; L15-W89 HydrophobicContact CD2-CE3 3.42Å; L15-W89 VanDerWaalsContact CD2-CE3 3.42Å; L15-W89 HydrophobicContact CD2-CH2 3.77Å; L15-W89 HydrophobicContact CD2-CZ2 4.09Å; L15-W89 HydrophobicContact CD2-CZ3 3.43Å; L15-W89 VanDerWaalsContact CD2-CZ3 3.43Å; L15-W89 HydrophobicContact CG-CE3 4.08Å; L15-W89 HydrophobicContact CG-CH2 4.36Å; L15-W89 HydrophobicContact CG-CZ3 3.81Å; A26-W89 HydrophobicContact CB-CZ3 4.12Å; I62-W89 HydrophobicContact CB-CE3 4.21Å; I62-W89 HydrophobicContact CB-CH2 3.81Å; I62-W89 HydrophobicContact CB-CZ2 4.37Å; I62-W89 HydrophobicContact CB-CZ3 3.71Å; I62-W89 HydrophobicContact CD1-CB 4.4Å; I62-W89 HydrophobicContact CD1-CD2 3.41Å; I62-W89 VanDerWaalsContact CD1-CD2 3.41Å; I62-W89 HydrophobicContact CD1-CE3 3.49Å; I62-W89 VanDerWaalsContact CD1-CE3 3.49Å; I62-W89 HydrophobicContact CD1-CG 3.84Å; I62-W89 HydrophobicContact CD1-CH2 4.18Å; I62-W89 HydrophobicContact CD1-CZ2 4.11Å; I62-W89 HydrophobicContact CD1-CZ3 3.88Å; I62-W89 HydrophobicContact CG1-CD2 3.99Å; I62-W89 HydrophobicContact CG1-CE3 3.93Å; I62-W89 HydrophobicContact CG1-CH2 3.67Å; I62-W89 HydrophobicContact CG1-CZ2 3.72Å; I62-W89 HydrophobicContact CG1-CZ3 3.77Å; Q81-W89 CarbonylContact C-O 3.58Å; Q81-W89 WeakPolarHBondContact CA-O 3.45Å; Q81-W89 WeakPolarHBondContact CB-O 3.5Å; W82-W89 HydrophobicContact CD2-CB 3.96Å; W82-W89 AromaticContact CE2-CD1 3.96Å; W82-W89 AromaticContact CE2-CG 3.99Å; W82-W89 HydrophobicContact CE3-CB 4.33Å; W82-W89 HydrophobicContact CH2-CB 4.04Å; W82-W89 HydrophobicContact CZ2-CB 3.65Å; W82-W89 AromaticContact CZ2-CG 3.99Å; W82-W89 HydrophobicContact CZ2-CG 3.99Å; W82-W89 HydrophobicContact CZ3-CB 4.37Å; W82-W89 PolarHBondContact N-O 3.31Å; W82-W89 AromaticContact NE1-CD1 3.53Å; W82-W89 PolarHBondContact O-N 3.01Å; Q87-W89 VanDerWaalsContact CD-CZ2 3.42Å; Q87-W89 HydrophobicContact CG-CD2 4.45Å; Q87-W89 HydrophobicContact CG-CZ2 4.19Å |
| 90 | G | 97.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 136.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | M14 W23 H80 | M14-G90 PolarHBondContact N-O 3.01Å; M14-G90 PolarHBondContact O-N 3.48Å; W23-G90 VanDerWaalsContact CZ3-CA 3.48Å; H80-G90 CarbonylContact O-C 3.5Å; H80-G90 WeakPolarHBondContact O-CA 3.45Å |
| 91 | L | 98.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 120.5 | 174.5 | -65.1 | -175.1 | 0 | 0 | 0 | 108.5 | A11 V13 V36 F79 H80 W82 F93 F102 | A11-L91 HydrophobicContact CB-CB 4.15Å; A11-L91 HydrophobicContact CB-CD2 4.43Å; V13-L91 HydrophobicContact CB-CD2 4.17Å; V13-L91 HydrophobicContact CG1-CD2 4.04Å; V13-L91 HydrophobicContact CG2-CD2 3.77Å; V36-L91 HydrophobicContact CG1-CD1 4.09Å; V36-L91 HydrophobicContact CG1-CD2 4.48Å; V36-L91 HydrophobicContact CG2-CD2 4.27Å; F79-L91 VanDerWaalsContact CA-O 3.3Å; F79-L91 WeakPolarHBondContact CA-O 3.39Å; H80-L91 PolarHBondContact N-O 3.41Å; H80-L91 PolarHBondContact O-N 2.85Å; W82-L91 HydrophobicContact CH2-CD1 3.65Å; W82-L91 HydrophobicContact CH2-CD2 4.38Å; W82-L91 HydrophobicContact CH2-CG 3.8Å; W82-L91 HydrophobicContact CZ3-CD1 3.62Å; W82-L91 HydrophobicContact CZ3-CG 3.71Å; L91-F93 HydrophobicContact CB-CD2 4.36Å; L91-F93 HydrophobicContact CB-CE1 4.44Å; L91-F93 HydrophobicContact CB-CE2 3.67Å; L91-F93 HydrophobicContact CB-CZ 3.73Å; L91-F93 HydrophobicContact CD1-CE1 4.2Å; L91-F93 HydrophobicContact CD1-CE2 4.38Å; L91-F93 HydrophobicContact CD1-CZ 3.63Å; L91-F93 HydrophobicContact CG-CZ 4.37Å; L91-F102 HydrophobicContact CD1-CD1 4.03Å; L91-F102 HydrophobicContact CD1-CE1 3.56Å; L91-F102 HydrophobicContact CD1-CE2 4.18Å; L91-F102 HydrophobicContact CD1-CZ 3.65Å |
| 92 | N | 98.1 | Very high | 95.5 | Very high | 57 Ų | 57 | 52.7 Ų | 52.7 | 31% | 0.305 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 102.3 | 170.8 | -171 | -0.4 | 0 | 0 | 0 | 109.1 | A11 T12 N78 F79 | A11-N92 CarbonylContact C-O 3.58Å; A11-N92 VanDerWaalsContact CA-O 3.26Å; A11-N92 WeakPolarHBondContact CA-O 3.48Å; A11-N92 WeakPolarHBondContact CB-O 3.36Å; T12-N92 PolarHBondContact N-O 2.78Å; T12-N92 PolarHBondContact O-N 2.89Å; T12-N92 WeakPolarHBondContact OG1-CB 3.4Å; N78-N92 CarbonylContact O-C 3.6Å; N78-N92 WeakPolarHBondContact O-CA 3.5Å; F79-N92 HydrophobicContact CD2-CB 3.8Å; F79-N92 HydrophobicContact CE2-CB 4.25Å |
| 93 | F | 98.6 | Very high | 95.6 | Very high | 6 Ų | 6 | 52.8 Ų | 52.8 | 3% | 0.026 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 147 | -173.1 | -65.8 | -85 | 0 | 0 | 0 | 112.4 | R10 A11 N78 H80 L91 S95 D98 A99 F102 | R10-F93 WeakPolarHBondContact O-CA 3.35Å; A11-F93 HydrophobicContact CB-CD1 3.7Å; A11-F93 HydrophobicContact CB-CE1 4Å; A11-F93 HydrophobicContact CB-CG 4.13Å; N78-F93 WeakPolarHBondContact O-CD2 3.49Å; N78-F93 PolarHBondContact O-N 2.8Å; H80-F93 HydrophobicContact CB-CE2 3.83Å; H80-F93 AromaticContact CG-CE2 3.58Å; H80-F93 AromaticContact ND1-CE2 3.35Å; H80-F93 VanDerWaalsContact ND1-CE2 3.35Å; H80-F93 WeakPolarHBondContact ND1-CE2 3.44Å; H80-F93 AromaticContact ND1-CZ 3.97Å; L91-F93 HydrophobicContact CB-CD2 4.36Å; L91-F93 HydrophobicContact CB-CE1 4.44Å; L91-F93 HydrophobicContact CB-CE2 3.67Å; L91-F93 HydrophobicContact CB-CZ 3.73Å; L91-F93 HydrophobicContact CD1-CE1 4.2Å; L91-F93 HydrophobicContact CD1-CE2 4.38Å; L91-F93 HydrophobicContact CD1-CZ 3.63Å; L91-F93 HydrophobicContact CG-CZ 4.37Å; F93-S95 WeakPolarHBondContact CB-O 3.25Å; F93-S95 PolarHBondContact O-N 2.98Å; F93-D98 HydrophobicContact CB-CB 4.2Å; F93-D98 HydrophobicContact CD1-CB 4.08Å; F93-A99 HydrophobicContact CB-CB 3.81Å; F93-A99 HydrophobicContact CD1-CB 4.32Å; F93-A99 HydrophobicContact CD2-CB 3.49Å; F93-A99 VanDerWaalsContact CD2-CB 3.49Å; F93-A99 HydrophobicContact CE2-CB 4.16Å; F93-A99 HydrophobicContact CG-CB 3.6Å; F93-F102 HydrophobicContact CE1-CB 3.46Å; F93-F102 VanDerWaalsContact CE1-CB 3.46Å; F93-F102 HydrophobicContact CE1-CD1 4.17Å; F93-F102 HydrophobicContact CE1-CD2 4.26Å; F93-F102 AromaticContact CE1-CG 3.7Å; F93-F102 HydrophobicContact CE1-CG 3.7Å; F93-F102 HydrophobicContact CZ-CB 3.62Å; F93-F102 AromaticContact CZ-CD1 3.61Å; F93-F102 HydrophobicContact CZ-CD1 3.61Å; F93-F102 HydrophobicContact CZ-CD2 4.48Å; F93-F102 HydrophobicContact CZ-CE1 4.42Å; F93-F102 AromaticContact CZ-CG 3.64Å; F93-F102 HydrophobicContact CZ-CG 3.64Å |
| 94 | G | 95.8 | Very high | 95.8 | Very high | 30 Ų | 30 | 51.7 Ų | 51.7 | 31% | 0.309 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -68.6 | -23.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | R10 | R10-G94 PolarHBondContact O-N 2.66Š|
| 95 | S | 97.2 | Very high | 96.2 | Very high | 31 Ų | 31 | 50.1 Ų | 50.1 | 22% | 0.217 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -152.2 | 167.4 | 176.1 | 89.5 | 0 | 0 | 0 | 0 | 111.7 | N78 F93 E97 D98 A99 | N78-S95 VanDerWaalsContact OD1-C 3.26Å; N78-S95 PolarHBondContact OD1-O 3.12Å; F93-S95 WeakPolarHBondContact CB-O 3.25Å; F93-S95 PolarHBondContact O-N 2.98Å; S95-E97 VanDerWaalsContact C-N 3.27Å; S95-E97 WeakPolarHBondContact CB-OE2 3.36Å; S95-E97 PolarHBondContact O-N 3.49Å; S95-E97 PolarHBondContact OG-N 3.19Å; S95-E97 PolarHBondContact OG-OE2 2.95Å; S95-D98 PolarHBondContact O-N 3.26Å; S95-D98 PolarHBondContact OG-N 2.97Å; S95-D98 VanDerWaalsContact OG-N 3.17Å; S95-A99 PolarHBondContact O-N 2.79Å |
| 96 | K | 96.9 | Very high | 96.9 | Very high | 126 Ų | 126 | 45.6 Ų | 45.6 | 55% | 0.548 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -69.1 | -31 | 177.1 | -70 | 179.1 | -180 | -179.8 | 0 | 111.5 | P77 N78 A99 A100 | P77-K96 HydrophobicContact CB-CD 4.27Å; P77-K96 HydrophobicContact CB-CG 4.15Å; N78-K96 WeakPolarHBondContact OD1-CA 3.48Å; N78-K96 WeakPolarHBondContact OD1-CG 3.48Å; N78-K96 PolarHBondContact OD1-N 2.92Å; N78-K96 VanDerWaalsContact OD1-N 3.07Å; K96-A99 WeakPolarHBondContact O-CB 3.42Å; K96-A99 PolarHBondContact O-N 3.3Å; K96-A100 WeakPolarHBondContact O-CB 3.47Å; K96-A100 PolarHBondContact O-N 2.94Å |
| 97 | E | 98 | Very high | 97.4 | Very high | 124 Ų | 124 | 37.5 Ų | 37.5 | 58% | 0.579 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -68 | -45.7 | 178.2 | -56.9 | 69.6 | -146.2 | 0 | 0 | 110.3 | S95 A99 A100 Q101 | S95-E97 VanDerWaalsContact C-N 3.27Å; S95-E97 WeakPolarHBondContact CB-OE2 3.36Å; S95-E97 PolarHBondContact O-N 3.49Å; S95-E97 PolarHBondContact OG-N 3.19Å; S95-E97 PolarHBondContact OG-OE2 2.95Å; E97-A99 VanDerWaalsContact C-N 3.29Å; E97-A99 PolarHBondContact O-N 2.92Å; E97-A100 PolarHBondContact O-N 2.83Å; E97-Q101 WeakPolarHBondContact O-CB 3.47Å; E97-Q101 VanDerWaalsContact O-CG 3.3Å; E97-Q101 WeakPolarHBondContact O-CG 3.44Å; E97-Q101 PolarHBondContact O-N 3.12Å |
| 98 | D | 98 | Very high | 97.5 | Very high | 25 Ų | 25 | 37.7 Ų | 37.7 | 13% | 0.134 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -56 | -45.6 | 171.9 | -90.6 | -48.8 | 0 | 0 | 0 | 110.9 | S9 R10 F93 S95 F102 | S9-D98 WeakPolarHBondContact CA-OD1 3.26Å; S9-D98 WeakPolarHBondContact CB-O 3.42Å; S9-D98 PolarHBondContact OG-O 2.93Å; R10-D98 PolarHBondContact N-OD1 3.33Å; F93-D98 HydrophobicContact CB-CB 4.2Å; F93-D98 HydrophobicContact CD1-CB 4.08Å; S95-D98 PolarHBondContact O-N 3.26Å; S95-D98 PolarHBondContact OG-N 2.97Å; S95-D98 VanDerWaalsContact OG-N 3.17Å; D98-F102 WeakPolarHBondContact O-CB 3.39Å; D98-F102 PolarHBondContact O-N 3.19Å |
| 99 | A | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.5 | -46.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | P77 H80 F93 S95 K96 E97 F102 A103 | P77-A99 WeakPolarHBondContact O-CB 3.26Å; H80-A99 PolarHBondContact CE1-O 3.45Å; F93-A99 HydrophobicContact CB-CB 3.81Å; F93-A99 HydrophobicContact CD1-CB 4.32Å; F93-A99 HydrophobicContact CD2-CB 3.49Å; F93-A99 VanDerWaalsContact CD2-CB 3.49Å; F93-A99 HydrophobicContact CE2-CB 4.16Å; F93-A99 HydrophobicContact CG-CB 3.6Å; S95-A99 PolarHBondContact O-N 2.79Å; K96-A99 WeakPolarHBondContact O-CB 3.42Å; K96-A99 PolarHBondContact O-N 3.3Å; E97-A99 VanDerWaalsContact C-N 3.29Å; E97-A99 PolarHBondContact O-N 2.92Å; A99-F102 PolarHBondContact O-N 2.83Å; A99-A103 WeakPolarHBondContact O-CB 3.35Å; A99-A103 PolarHBondContact O-N 3.32Å |
| 100 | A | 98.1 | Very high | 97.4 | Very high | 60 Ų | 60 | 38.3 Ų | 38.3 | 50% | 0.496 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -64.3 | -42.5 | 179 | 0 | 0 | 0 | 0 | 0 | 112.1 | K96 E97 A103 A104 | K96-A100 WeakPolarHBondContact O-CB 3.47Å; K96-A100 PolarHBondContact O-N 2.94Å; E97-A100 PolarHBondContact O-N 2.83Å; A100-A103 PolarHBondContact O-N 2.8Å; A100-A104 PolarHBondContact O-N 3.15Å |
| 101 | Q | 97.8 | Very high | 97.2 | Very high | 112 Ų | 112 | 45 Ų | 45 | 52% | 0.523 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61.5 | -45.4 | 175.4 | -75.5 | 179.8 | -10.5 | 0 | 0 | 112 | E97 A103 A104 G105 | E97-Q101 WeakPolarHBondContact O-CB 3.47Å; E97-Q101 VanDerWaalsContact O-CG 3.3Å; E97-Q101 WeakPolarHBondContact O-CG 3.44Å; E97-Q101 PolarHBondContact O-N 3.12Å; Q101-A103 VanDerWaalsContact C-N 3.34Å; Q101-A104 PolarHBondContact O-N 2.88Å; Q101-G105 PolarHBondContact O-N 2.76Å |
| 102 | F | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65 | -40 | 177.5 | -169.2 | -90.8 | 0 | 0 | 0 | 111.8 | V36 I38 V49 Y72 W82 L91 F93 D98 A99 G105 M106 | V36-F102 HydrophobicContact CB-CE2 4.32Å; V36-F102 HydrophobicContact CG1-CD2 4.41Å; V36-F102 HydrophobicContact CG1-CE2 3.61Å; V36-F102 HydrophobicContact CG1-CZ 4.11Å; I38-F102 HydrophobicContact CD1-CD2 4.42Å; I38-F102 HydrophobicContact CD1-CE1 4.4Å; I38-F102 HydrophobicContact CD1-CE2 3.96Å; I38-F102 HydrophobicContact CD1-CZ 3.96Å; I38-F102 HydrophobicContact CG1-CD2 4.39Å; I38-F102 HydrophobicContact CG1-CE2 3.68Å; I38-F102 HydrophobicContact CG1-CZ 3.95Å; V49-F102 HydrophobicContact CG1-CE2 4.19Å; V49-F102 HydrophobicContact CG1-CZ 3.81Å; V49-F102 HydrophobicContact CG2-CZ 4.1Å; Y72-F102 HydrophobicContact CE2-CD1 4.39Å; Y72-F102 HydrophobicContact CE2-CE1 4.25Å; Y72-F102 WeakPolarHBondContact OH-CD1 3.29Å; W82-F102 HydrophobicContact CH2-CE1 4.38Å; W82-F102 HydrophobicContact CH2-CZ 4.38Å; W82-F102 HydrophobicContact CZ3-CE1 4.18Å; L91-F102 HydrophobicContact CD1-CD1 4.03Å; L91-F102 HydrophobicContact CD1-CE1 3.56Å; L91-F102 HydrophobicContact CD1-CE2 4.18Å; L91-F102 HydrophobicContact CD1-CZ 3.65Å; F93-F102 HydrophobicContact CE1-CB 3.46Å; F93-F102 VanDerWaalsContact CE1-CB 3.46Å; F93-F102 HydrophobicContact CE1-CD1 4.17Å; F93-F102 HydrophobicContact CE1-CD2 4.26Å; F93-F102 AromaticContact CE1-CG 3.7Å; F93-F102 HydrophobicContact CE1-CG 3.7Å; F93-F102 HydrophobicContact CZ-CB 3.62Å; F93-F102 AromaticContact CZ-CD1 3.61Å; F93-F102 HydrophobicContact CZ-CD1 3.61Å; F93-F102 HydrophobicContact CZ-CD2 4.48Å; F93-F102 HydrophobicContact CZ-CE1 4.42Å; F93-F102 AromaticContact CZ-CG 3.64Å; F93-F102 HydrophobicContact CZ-CG 3.64Å; D98-F102 WeakPolarHBondContact O-CB 3.39Å; D98-F102 PolarHBondContact O-N 3.19Å; A99-F102 PolarHBondContact O-N 2.83Å; F102-G105 PolarHBondContact O-N 3.15Å; F102-M106 HydrophobicContact CE1-CE 3.88Å; F102-M106 HydrophobicContact CZ-CE 4.16Å; F102-M106 WeakPolarHBondContact O-CB 3.23Å; F102-M106 PolarHBondContact O-N 3.22Å |
| 103 | A | 98.2 | Very high | 96.6 | Very high | 8 Ų | 8 | 45.5 Ų | 45.5 | 7% | 0.066 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.9 | -41.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y72 A99 A100 Q101 M106 A107 | Y72-A103 HydrophobicContact CE1-CB 3.85Å; Y72-A103 WeakPolarHBondContact OH-CA 3.45Å; A99-A103 WeakPolarHBondContact O-CB 3.35Å; A99-A103 PolarHBondContact O-N 3.32Å; A100-A103 PolarHBondContact O-N 2.8Å; Q101-A103 VanDerWaalsContact C-N 3.34Å; A103-M106 PolarHBondContact O-N 3.11Å; A103-A107 WeakPolarHBondContact O-CB 3.36Å; A103-A107 PolarHBondContact O-N 2.8Å |
| 104 | A | 97.7 | Very high | 96.1 | Very high | 64 Ų | 64 | 50.7 Ų | 50.7 | 53% | 0.529 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.8 | -44 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | A100 Q101 A107 S108 | A100-A104 PolarHBondContact O-N 3.15Å; Q101-A104 PolarHBondContact O-N 2.88Å; A104-A107 PolarHBondContact O-N 2.82Å; A104-S108 PolarHBondContact O-N 2.92Å |
| 105 | G | 97.3 | Very high | 94.9 | Very high | 8 Ų | 8 | 52.1 Ų | 52.1 | 8% | 0.082 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63 | -41.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | I6 Q101 F102 S108 A109 | I6-G105 WeakPolarHBondContact CD1-O 3.42Å; Q101-G105 PolarHBondContact O-N 2.76Å; F102-G105 PolarHBondContact O-N 3.15Å; G105-S108 PolarHBondContact O-N 3.4Å; G105-A109 WeakPolarHBondContact O-CB 3.38Å; G105-A109 PolarHBondContact O-N 3.2Å |
| 106 | M | 97.4 | Very high | 93 | Very high | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.005 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -65.1 | -43 | 175.8 | -178.5 | 66.4 | 76 | 0 | 0 | 111.6 | I38 V49 I66 Y72 W82 F102 A103 A109 L110 | I38-M106 HydrophobicContact CD1-CB 4.02Å; I38-M106 HydrophobicContact CD1-CE 4.41Å; V49-M106 HydrophobicContact CG2-CE 3.75Å; I66-M106 HydrophobicContact CD1-CE 4.01Å; I66-M106 HydrophobicContact CD1-SD 3.67Å; I66-M106 HydrophobicContact CG1-CE 4.3Å; I66-M106 HydrophobicContact CG1-SD 4.08Å; I66-M106 HydrophobicContact CG2-SD 4Å; Y72-M106 HydrophobicContact CD1-CG 4.2Å; Y72-M106 HydrophobicContact CD2-CE 4.2Å; Y72-M106 HydrophobicContact CD2-CG 3.68Å; Y72-M106 HydrophobicContact CE1-CG 4.47Å; Y72-M106 HydrophobicContact CE2-CB 4.35Å; Y72-M106 HydrophobicContact CE2-CE 4.31Å; Y72-M106 HydrophobicContact CE2-CG 3.99Å; Y72-M106 HydrophobicContact CG-CG 3.77Å; W82-M106 HydrophobicContact CD2-CE 4.44Å; W82-M106 HydrophobicContact CE3-CE 4.46Å; F102-M106 HydrophobicContact CE1-CE 3.88Å; F102-M106 HydrophobicContact CZ-CE 4.16Å; F102-M106 WeakPolarHBondContact O-CB 3.23Å; F102-M106 PolarHBondContact O-N 3.22Å; A103-M106 PolarHBondContact O-N 3.11Å; M106-A109 PolarHBondContact O-N 3.4Å; M106-L110 HydrophobicContact CG-CD1 4.06Å; M106-L110 WeakPolarHBondContact O-CG 3.04Å; M106-L110 PolarHBondContact O-N 2.73Å; M106-L110 HydrophobicContact SD-CD1 4.38Å; M106-L110 HydrophobicContact SD-CG 4.41Å |
| 107 | A | 96 | Very high | 91 | Very high | 58 Ų | 58 | 49.7 Ų | 49.7 | 48% | 0.479 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61 | -46 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | A103 A104 A109 L110 E111 | A103-A107 WeakPolarHBondContact O-CB 3.36Å; A103-A107 PolarHBondContact O-N 2.8Å; A104-A107 PolarHBondContact O-N 2.82Å; A107-A109 PolarHBondContact O-N 2.92Å; A107-L110 PolarHBondContact O-N 3.36Å; A107-E111 WeakPolarHBondContact O-CB 3.11Å; A107-E111 PolarHBondContact O-N 2.88Å |
| 108 | S | 95.2 | Very high | 88.6 | Confident | 67 Ų | 67 | 49.4 Ų | 49.4 | 47% | 0.469 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61.2 | -41.2 | 176 | 178.7 | 0 | 0 | 0 | 0 | 112.5 | A104 G105 A112 | A104-S108 PolarHBondContact O-N 2.92Å; G105-S108 PolarHBondContact O-N 3.4Å; S108-A112 WeakPolarHBondContact O-CB 3.49Å; S108-A112 PolarHBondContact O-N 3.35Å |
| 109 | A | 96.1 | Very high | 86.7 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -63.8 | -41.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | I6 I38 F47 I66 G105 M106 A107 L113 | I6-A109 HydrophobicContact CD1-CB 4.14Å; I38-A109 HydrophobicContact CG2-CB 4.48Å; F47-A109 HydrophobicContact CB-CB 3.97Å; F47-A109 HydrophobicContact CD1-CB 3.57Å; F47-A109 HydrophobicContact CD2-CB 4.19Å; F47-A109 HydrophobicContact CE1-CB 4.04Å; F47-A109 HydrophobicContact CG-CB 3.65Å; I66-A109 HydrophobicContact CD1-CB 4.09Å; G105-A109 WeakPolarHBondContact O-CB 3.38Å; G105-A109 PolarHBondContact O-N 3.2Å; M106-A109 PolarHBondContact O-N 3.4Å; A107-A109 PolarHBondContact O-N 2.92Å; A109-L113 WeakPolarHBondContact O-CD1 3.23Å; A109-L113 VanDerWaalsContact O-CG 3.23Å; A109-L113 WeakPolarHBondContact O-CG 3.34Å; A109-L113 PolarHBondContact O-N 3.41Å; A109-L113 VanDerWaalsContact O-N 3.15Å |
| 110 | L | 94.7 | Very high | 84.7 | Confident | 27 Ų | 27 | 58.3 Ų | 58.3 | 14% | 0.141 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -68.3 | -42.6 | 178.2 | -69.4 | 170.6 | 0 | 0 | 0 | 111.8 | I66 V70 M106 A107 A112 L113 E114 | I66-L110 HydrophobicContact CG2-CD2 3.63Å; I66-L110 HydrophobicContact CG2-CG 4.28Å; V70-L110 HydrophobicContact CB-CD2 4.07Å; M106-L110 HydrophobicContact CG-CD1 4.06Å; M106-L110 WeakPolarHBondContact O-CG 3.04Å; M106-L110 PolarHBondContact O-N 2.73Å; M106-L110 HydrophobicContact SD-CD1 4.38Å; M106-L110 HydrophobicContact SD-CG 4.41Å; A107-L110 PolarHBondContact O-N 3.36Å; L110-A112 PolarHBondContact O-N 2.98Å; L110-L113 PolarHBondContact O-N 2.77Å; L110-E114 WeakPolarHBondContact O-CG 3.4Å; L110-E114 PolarHBondContact O-N 3.32Å |
| 111 | E | 93.6 | Very high | 82.8 | Confident | 142 Ų | 142 | 60.6 Ų | 60.6 | 66% | 0.664 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -60.1 | -45 | 175.4 | -175.7 | 179.7 | 80.2 | 0 | 0 | 111.4 | A107 L113 E114 G115 | A107-E111 WeakPolarHBondContact O-CB 3.11Å; A107-E111 PolarHBondContact O-N 2.88Å; E111-L113 VanDerWaalsContact C-N 3.28Å; E111-L113 PolarHBondContact O-N 3.38Å; E111-E114 PolarHBondContact O-N 2.9Å; E111-G115 PolarHBondContact O-N 2.99Å |
| 112 | A | 92.3 | Very high | 81 | Confident | 38 Ų | 38 | 61.2 Ų | 61.2 | 31% | 0.314 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -62.5 | -32.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | F47 S108 L110 | F47-A112 HydrophobicContact CE2-CB 3.69Å; F47-A112 HydrophobicContact CZ-CB 3.67Å; S108-A112 WeakPolarHBondContact O-CB 3.49Å; S108-A112 PolarHBondContact O-N 3.35Å; L110-A112 PolarHBondContact O-N 2.98Å |
| 113 | L | 92.7 | Very high | 78.6 | Confident | 29 Ų | 29 | 65.4 Ų | 65.4 | 15% | 0.152 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -77.9 | -29.9 | 175.8 | -71 | 168.6 | 0 | 0 | 0 | 112.9 | F47 I66 R68 A109 L110 E111 | F47-L113 HydrophobicContact CD2-CD1 4.11Å; F47-L113 HydrophobicContact CD2-CD2 4.01Å; F47-L113 HydrophobicContact CD2-CG 3.82Å; F47-L113 HydrophobicContact CE2-CD2 4.45Å; F47-L113 HydrophobicContact CE2-CG 4.22Å; I66-L113 HydrophobicContact CB-CD1 4.36Å; I66-L113 HydrophobicContact CG2-CD1 3.9Å; I66-L113 VanDerWaalsContact O-CD1 3.25Å; I66-L113 WeakPolarHBondContact O-CD1 3.49Å; R68-L113 HydrophobicContact CB-CB 4.38Å; A109-L113 WeakPolarHBondContact O-CD1 3.23Å; A109-L113 VanDerWaalsContact O-CG 3.23Å; A109-L113 WeakPolarHBondContact O-CG 3.34Å; A109-L113 PolarHBondContact O-N 3.41Å; A109-L113 VanDerWaalsContact O-N 3.15Å; L110-L113 PolarHBondContact O-N 2.77Å; E111-L113 VanDerWaalsContact C-N 3.28Å; E111-L113 PolarHBondContact O-N 3.38Å |
| 114 | E | 87 | Confident | 76.2 | Confident | 115 Ų | 115 | 71.9 Ų | 71.9 | 54% | 0.537 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -74.3 | -35.5 | 174.3 | -73.4 | -176.4 | 157 | 0 | 0 | 112.1 | R68 L110 E111 G116 | R68-E114 HydrophobicContact CG-CG 4.19Å; R68-E114 PolarHBondContact NH1-O 2.86Å; L110-E114 WeakPolarHBondContact O-CG 3.4Å; L110-E114 PolarHBondContact O-N 3.32Å; E111-E114 PolarHBondContact O-N 2.9Å; E114-G116 PolarHBondContact O-N 3.02Å; E114-G116 VanDerWaalsContact O-N 3.12Å |
| 115 | G | 71.8 | Confident | 73.5 | Confident | 60 Ų | 60 | 74.3 Ų | 74.3 | 62% | 0.619 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -63.7 | -11 | -177.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | E111 G117 | E111-G115 PolarHBondContact O-N 2.99Å; G115-G117 PolarHBondContact O-N 3.32Å |
| 116 | G | 56.8 | Low | 70.6 | Confident | 66 Ų | 66 | 79.4 Ų | 79.4 | 68% | 0.68 | 53% | 0.526 | S | S | * | . | trans | 57.7 | 5.9 | 156.3 | 0 | 0 | 0 | 0 | 0 | 118.8 | E114 | E114-G116 PolarHBondContact O-N 3.02Å; E114-G116 VanDerWaalsContact O-N 3.12Å | ||
| 117 | G | 54.7 | Low | 67.8 | Low | 39 Ų | 39 | 90.4 Ų | 90.4 | 40% | 0.402 | 57% | 0.568 | S | S | . | * | S | Bend | trans | -139.8 | 154.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | G115 | G115-G117 PolarHBondContact O-N 3.32Š|
| 118 | P | 48 | Very low | 65.3 | Low | 118 Ų | 118 | 93.3 Ų | 93.3 | 77% | 0.766 | 59% | 0.585 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 141.7 | 173.9 | 24.6 | -32.3 | 0 | 0 | 0 | 109 | ||
| 119 | P | 57.6 | Low | 63 | Low | 99 Ų | 99 | 96.3 Ų | 96.3 | 64% | 0.643 | 60% | 0.6 | S | S | * | * | P | Polyproline II helix | trans | -52.2 | 136.4 | 167.7 | 24.4 | -32.5 | 0 | 0 | 0 | 107.1 | ||
| 120 | P | 56.9 | Low | 60.6 | Low | 113 Ų | 113 | 101.5 Ų | 101.5 | 73% | 0.734 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 139.4 | 171.8 | 23 | -31.4 | 0 | 0 | 0 | 107.3 | ||
| 121 | P | 58.8 | Low | 58 | Low | 109 Ų | 109 | 108.6 Ų | 108.6 | 71% | 0.708 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -50.1 | 144 | 171.7 | 23.8 | -32.4 | 0 | 0 | 0 | 107.5 | A123 | P121-A123 PolarHBondContact O-N 3.49Š|
| 122 | P | 58.6 | Low | 55.6 | Low | 124 Ų | 124 | 105.1 Ų | 105.1 | 81% | 0.805 | 67% | 0.674 | S | S | * | * | trans | -51 | 114.6 | -178.2 | 22.1 | -31.5 | 0 | 0 | 0 | 107 | L124 | P122-L124 PolarHBondContact O-N 3.45Š| ||
| 123 | A | 48.2 | Very low | 53.4 | Low | 89 Ų | 89 | 108.5 Ų | 108.5 | 74% | 0.736 | 69% | 0.693 | S | S | * | * | trans | -57.6 | 114.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 105.2 | P121 | P121-A123 PolarHBondContact O-N 3.49Š| ||
| 124 | L | 48.7 | Very low | 51 | Low | 144 Ų | 144 | 110.8 Ų | 110.8 | 75% | 0.754 | 71% | 0.711 | S | S | * | * | trans | -47.6 | 142.4 | 163.4 | -67.8 | 170.1 | 0 | 0 | 0 | 106.8 | P122 T126 | P122-L124 PolarHBondContact O-N 3.45Å; L124-T126 VanDerWaalsContact C-N 3.27Å; L124-T126 PolarHBondContact O-N 3Å | ||
| 125 | P | 40.8 | Very low | 49.7 | Very low | 114 Ų | 114 | 110.8 Ų | 110.8 | 74% | 0.74 | 72% | 0.721 | S | S | * | * | trans | -62.7 | 92.3 | -174.9 | 26.2 | -32.6 | 0 | 0 | 0 | 109 | W127 | P125-W127 PolarHBondContact O-N 2.85Š| ||
| 126 | T | 36.7 | Very low | 49.1 | Very low | 115 Ų | 115 | 115 Ų | 115 | 71% | 0.706 | 73% | 0.725 | S | S | * | * | trans | -80.3 | 99.6 | 169.7 | 45.9 | 0 | 0 | 0 | 0 | 105.6 | L124 S128 | L124-T126 VanDerWaalsContact C-N 3.27Å; L124-T126 PolarHBondContact O-N 3Å; T126-S128 PolarHBondContact O-N 2.83Å | ||
| 127 | W | 39.3 | Very low | 49.2 | Very low | 233 Ų | 233 | 118 Ų | 118 | 88% | 0.883 | 72% | 0.721 | S | S | * | * | trans | -45.6 | 110.3 | 167.1 | -74.9 | 48.5 | 0 | 0 | 0 | 108.1 | P125 V129 | P125-W127 PolarHBondContact O-N 2.85Å; W127-V129 PolarHBondContact O-N 3.09Å | ||
| 128 | S | 41.9 | Very low | 49.4 | Very low | 118 Ų | 118 | 121.4 Ų | 121.4 | 83% | 0.825 | 73% | 0.734 | S | S | * | * | trans | -72.2 | 97 | 178.8 | -48.2 | 0 | 0 | 0 | 0 | 108 | T126 | T126-S128 PolarHBondContact O-N 2.83Š| ||
| 129 | V | 48.2 | Very low | 50.1 | Low | 130 Ų | 130 | 123.4 Ų | 123.4 | 79% | 0.788 | 73% | 0.733 | S | S | * | * | trans | -77.8 | 124.3 | 163.9 | -179.9 | 0 | 0 | 0 | 0 | 106.8 | W127 | W127-V129 PolarHBondContact O-N 3.09Š| ||
| 130 | P | 44.7 | Very low | 50.3 | Low | 110 Ų | 110 | 125.8 Ų | 125.8 | 71% | 0.714 | 74% | 0.735 | S | S | * | * | trans | -74 | 135.1 | -173.8 | 30.4 | -34.8 | 0 | 0 | 0 | 111 | ||||
| 131 | N | 40.3 | Very low | 50.4 | Low | 176 Ų | 176 | 127.7 Ų | 127.7 | 94% | 0.941 | 73% | 0.734 | S | S | * | * | trans | 58 | 108.8 | 165.1 | -91.8 | -27.2 | 0 | 0 | 0 | 117.3 | ||||
| 132 | G | 44.8 | Very low | 50.3 | Low | 69 Ų | 69 | 131 Ų | 131 | 71% | 0.711 | 74% | 0.738 | S | S | * | * | trans | -152.5 | 142.7 | 166.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 133 | P | 45 | Very low | 50.2 | Low | 109 Ų | 109 | 136.1 Ų | 136.1 | 71% | 0.708 | 74% | 0.741 | S | S | * | * | trans | -73.5 | 158.4 | -154.6 | 29.6 | -34.8 | 0 | 0 | 0 | 114.8 | ||||
| 134 | S | 43 | Very low | 50.5 | Low | 76 Ų | 76 | 139.3 Ų | 139.3 | 53% | 0.531 | 74% | 0.741 | S | S | . | * | trans | -55 | 153.8 | -172.3 | -79.3 | 0 | 0 | 0 | 0 | 115 | E136 | S134-E136 PolarHBondContact O-N 2.83Š| ||
| 135 | P | 59.6 | Low | 50.5 | Low | 116 Ų | 116 | 141 Ų | 141 | 75% | 0.753 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.8 | 7.2 | -174.1 | 23.7 | -35.1 | 0 | 0 | 0 | 116.7 | ||
| 136 | E | 57.6 | Low | 50.5 | Low | 149 Ų | 149 | 141.5 Ų | 141.5 | 70% | 0.696 | 75% | 0.748 | S | S | * | * | H | α-helix | trans | -85.4 | -29.9 | -174.4 | -38 | -174.3 | 119.6 | 0 | 0 | 111.7 | S134 | S134-E136 PolarHBondContact O-N 2.83Å |
| 137 | E | 59.2 | Low | 50.7 | Low | 129 Ų | 129 | 139.6 Ų | 139.6 | 60% | 0.603 | 75% | 0.751 | S | S | * | * | H | α-helix | trans | -82.2 | -26 | -178 | -73.1 | 179.4 | 89.9 | 0 | 0 | 113.3 | ||
| 138 | V | 60.5 | Low | 51.3 | Low | 109 Ų | 109 | 134.4 Ų | 134.4 | 66% | 0.661 | 75% | 0.748 | S | S | * | * | H | α-helix | trans | -70.4 | -31 | 178.9 | 151 | 0 | 0 | 0 | 0 | 112.4 | K142 | V138-K142 PolarHBondContact O-N 2.97Å |
| 139 | E | 61.6 | Low | 51.3 | Low | 161 Ų | 161 | 134.7 Ų | 134.7 | 75% | 0.752 | 75% | 0.75 | S | S | * | * | H | α-helix | trans | -74.9 | -29.5 | -178 | -160.3 | 172.6 | 102.8 | 0 | 0 | 112.3 | ||
| 140 | Q | 61.9 | Low | 50.7 | Low | 149 Ų | 149 | 137.8 Ų | 137.8 | 70% | 0.696 | 76% | 0.755 | S | S | * | * | H | α-helix | trans | -77.1 | -28 | 178.1 | -71.3 | -178.5 | 40.8 | 0 | 0 | 113.4 | ||
| 141 | Q | 60 | Low | 50.9 | Low | 152 Ų | 152 | 140.1 Ų | 140.1 | 71% | 0.71 | 76% | 0.757 | S | S | * | * | H | α-helix | trans | -78.8 | -30.4 | 175.1 | -88 | -176.6 | -1.3 | 0 | 0 | 113.4 | R143 Q144 | Q141-R143 PolarHBondContact O-N 3.25Å; Q141-Q144 PolarHBondContact O-N 2.6Å |
| 142 | K | 56.3 | Low | 51.4 | Low | 180 Ų | 180 | 137.1 Ų | 137.1 | 78% | 0.783 | 74% | 0.739 | S | S | * | * | H | α-helix | trans | -69.6 | -16.9 | 179.9 | -156.3 | -179.6 | -172.1 | -164.4 | 0 | 113.4 | V138 Q144 | V138-K142 PolarHBondContact O-N 2.97Å; K142-Q144 VanDerWaalsContact C-N 3.29Å; K142-Q144 PolarHBondContact O-N 3.37Å |
| 143 | R | 55.3 | Low | 51.2 | Low | 230 Ų | 230 | 139.8 Ų | 139.8 | 87% | 0.868 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.2 | -7 | 179.2 | -151.7 | 165.5 | -138.6 | -98 | -1.4 | 114 | Q141 | Q141-R143 PolarHBondContact O-N 3.25Š|
| 144 | Q | 54.9 | Low | 51.3 | Low | 157 Ų | 157 | 144.2 Ų | 144.2 | 73% | 0.734 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105 | 6.4 | -172.3 | -69.1 | -166.2 | 70.6 | 0 | 0 | 115.9 | Q141 K142 | Q141-Q144 PolarHBondContact O-N 2.6Å; K142-Q144 VanDerWaalsContact C-N 3.29Å; K142-Q144 PolarHBondContact O-N 3.37Å |
| 145 | Q | 49.1 | Very low | 51.3 | Low | 178 Ų | 178 | 151.5 Ų | 151.5 | 83% | 0.832 | 75% | 0.752 | S | S | * | * | trans | -130 | 123.7 | 176.7 | -77.6 | -162.2 | 46.4 | 0 | 0 | 114.2 | ||||
| 146 | P | 41.4 | Very low | 50.3 | Low | 125 Ų | 125 | 152 Ų | 152 | 81% | 0.812 | 75% | 0.752 | S | S | * | * | trans | -85.4 | 137.5 | 169.6 | 33.3 | -28.3 | 0 | 0 | 0 | 111.2 | ||||
| 147 | G | 41.1 | Very low | 49.6 | Very low | 75 Ų | 75 | 150.3 Ų | 150.3 | 77% | 0.773 | 76% | 0.757 | S | S | * | * | trans | -82.9 | -144.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 148 | P | 51.3 | Low | 48.8 | Very low | 125 Ų | 125 | 152 Ų | 152 | 81% | 0.812 | 77% | 0.77 | S | S | * | * | cis | -133 | -178.5 | -29.6 | 38.3 | -20.9 | 0 | 0 | 0 | 112.4 | ||||
| 149 | S | 41.1 | Very low | 47.8 | Very low | 124 Ų | 124 | 151.2 Ų | 151.2 | 87% | 0.867 | 78% | 0.775 | S | S | * | * | trans | 178.7 | 147.8 | 144 | -80.5 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 150 | E | 37.1 | Very low | 46.8 | Very low | 194 Ų | 194 | 147.4 Ų | 147.4 | 91% | 0.907 | 78% | 0.779 | S | S | * | * | trans | -80.6 | 172.2 | -170.9 | -54.8 | 171.9 | 97.7 | 0 | 0 | 113.5 | ||||
| 151 | H | 48.8 | Very low | 45.8 | Very low | 160 Ų | 160 | 144 Ų | 144 | 74% | 0.741 | 78% | 0.784 | S | S | * | * | trans | 152.3 | 114.4 | 134.1 | -161.5 | -108.6 | 0 | 0 | 0 | 115.7 | ||||
| 152 | I | 49.4 | Very low | 45.3 | Very low | 113 Ų | 113 | 142.8 Ų | 142.8 | 58% | 0.579 | 79% | 0.789 | S | S | * | * | trans | 65.6 | 116.2 | 135.1 | -105.8 | 131.5 | 0 | 0 | 0 | 120.6 | ||||
| 153 | E | 41.5 | Very low | 45 | Very low | 125 Ų | 125 | 140.6 Ų | 140.6 | 58% | 0.584 | 79% | 0.793 | S | S | * | * | 91.7 | 133.1 | 75.8 | -97.4 | -153.9 | 103 | 0 | 0 | 116 | |||||
| 154 | R | 45.8 | Very low | 44.6 | Very low | 202 Ų | 202 | 134.2 Ų | 134.2 | 76% | 0.762 | 79% | 0.79 | S | S | * | * | trans | 95.8 | 127.6 | 143.6 | -73.9 | 176.1 | -140.1 | -131.5 | 3.4 | 123.5 | ||||
| 155 | R | 44.5 | Very low | 44.8 | Very low | 229 Ų | 229 | 132.6 Ų | 132.6 | 86% | 0.864 | 79% | 0.793 | S | S | * | * | trans | 91.5 | 111.2 | 136.1 | -140.7 | 169 | -148.6 | 159.4 | 3.9 | 117.4 | ||||
| 156 | V | 38.7 | Very low | 44.7 | Very low | 126 Ų | 126 | 130 Ų | 130 | 76% | 0.764 | 79% | 0.791 | S | S | * | * | 81.9 | 116.4 | 63.6 | 176 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 157 | S | 41.8 | Very low | 44.8 | Very low | 114 Ų | 114 | 129.2 Ų | 129.2 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | trans | 67.8 | 128.7 | 151.9 | -60.5 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 158 | N | 42.2 | Very low | 45 | Very low | 165 Ų | 165 | 129.8 Ų | 129.8 | 88% | 0.882 | 80% | 0.802 | S | S | * | * | -171.6 | 163.3 | 120.9 | -156.6 | 21.7 | 0 | 0 | 0 | 114.6 | |||||
| 159 | A | 39.9 | Very low | 45.4 | Very low | 92 Ų | 92 | 127.3 Ų | 127.3 | 76% | 0.76 | 80% | 0.798 | S | S | * | * | trans | -77.2 | 174.2 | -160.7 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 160 | G | 40.5 | Very low | 46.1 | Very low | 80 Ų | 80 | 127.3 Ų | 127.3 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | trans | 135.9 | 119.3 | 138 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 161 | G | 41.7 | Very low | 47.2 | Very low | 78 Ų | 78 | 123.9 Ų | 123.9 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | trans | -98.3 | -173.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 162 | P | 48.6 | Very low | 47.9 | Very low | 127 Ų | 127 | 122 Ų | 122 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | trans | -118.2 | 161.1 | -175.7 | 40.3 | -28.6 | 0 | 0 | 0 | 115.4 | ||||
| 163 | P | 50.1 | Low | 48.7 | Very low | 133 Ų | 133 | 122.2 Ų | 122.2 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | trans | -123.4 | 156.7 | 159.8 | 36.4 | -22.7 | 0 | 0 | 0 | 114.4 | ||||
| 164 | A | 48.2 | Very low | 50 | Low | 96 Ų | 96 | 122.5 Ų | 122.5 | 79% | 0.793 | 81% | 0.814 | S | S | * | * | trans | -96.9 | 172.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 165 | P | 58.1 | Low | 51.4 | Low | 123 Ų | 123 | 116.1 Ų | 116.1 | 80% | 0.799 | 81% | 0.811 | S | S | * | * | trans | -129.7 | 168.1 | 157 | 37.6 | -23 | 0 | 0 | 0 | 115.7 | ||||
| 166 | P | 47.7 | Very low | 52.5 | Low | 124 Ų | 124 | 111.2 Ų | 111.2 | 81% | 0.805 | 81% | 0.808 | S | S | * | * | trans | -113.1 | 162.5 | -158 | 39.6 | -27.9 | 0 | 0 | 0 | 117.5 | ||||
| 167 | A | 42.6 | Very low | 54.2 | Low | 108 Ų | 108 | 110.8 Ų | 110.8 | 89% | 0.893 | 81% | 0.808 | S | S | * | * | trans | 17 | 130.3 | 151.1 | 0 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 168 | G | 46.3 | Very low | 55.9 | Low | 88 Ų | 88 | 111.1 Ų | 111.1 | 91% | 0.907 | 81% | 0.808 | S | S | * | * | trans | 156 | 102.1 | 151.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 169 | G | 58.5 | Low | 57.4 | Low | 72 Ų | 72 | 108.9 Ų | 108.9 | 74% | 0.742 | 80% | 0.802 | S | S | * | * | trans | -145.7 | 149.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 170 | P | 55.7 | Low | 59 | Low | 125 Ų | 125 | 110.8 Ų | 110.8 | 81% | 0.812 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 164.2 | -164.3 | 33.6 | -36.1 | 0 | 0 | 0 | 114.2 | ||
| 171 | P | 60.1 | Low | 60.8 | Low | 121 Ų | 121 | 110.1 Ų | 110.1 | 79% | 0.786 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 152.1 | -174.6 | 31.2 | -35.2 | 0 | 0 | 0 | 113.5 | ||
| 172 | P | 64.3 | Low | 62.4 | Low | 120 Ų | 120 | 112.4 Ų | 112.4 | 78% | 0.779 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 157.5 | -179.9 | 32.6 | -34.6 | 0 | 0 | 0 | 113.6 | ||
| 173 | P | 66.3 | Low | 63.6 | Low | 118 Ų | 118 | 111.9 Ų | 111.9 | 77% | 0.766 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -77 | 167.2 | -177.7 | 32.3 | -35.7 | 0 | 0 | 0 | 114 | ||
| 174 | P | 68.4 | Low | 64.7 | Low | 132 Ų | 132 | 111.2 Ų | 111.2 | 86% | 0.857 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 144.4 | -174.1 | -9.4 | 25.4 | 0 | 0 | 0 | 112.8 | ||
| 175 | G | 74.5 | Confident | 65.8 | Low | 68 Ų | 68 | 112.4 Ų | 112.4 | 70% | 0.701 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -76 | 160.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 176 | P | 69.1 | Low | 66.4 | Low | 125 Ų | 125 | 112.5 Ų | 112.5 | 81% | 0.812 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 158.6 | -178.5 | 30.8 | -34.6 | 0 | 0 | 0 | 113.3 | ||
| 177 | P | 74.3 | Confident | 66.8 | Low | 118 Ų | 118 | 110.3 Ų | 110.3 | 77% | 0.766 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 156.1 | -178.3 | 29.8 | -35.3 | 0 | 0 | 0 | 113.3 | ||
| 178 | P | 76.8 | Confident | 67.6 | Low | 121 Ų | 121 | 113.4 Ų | 113.4 | 79% | 0.786 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 150.3 | -177.4 | 29 | -34.7 | 0 | 0 | 0 | 113.2 | ||
| 179 | P | 73.8 | Confident | 68.6 | Low | 117 Ų | 117 | 114.8 Ų | 114.8 | 76% | 0.76 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 156.4 | -179.3 | 29.7 | -34.5 | 0 | 0 | 0 | 113.4 | ||
| 180 | P | 74.5 | Confident | 68.2 | Low | 132 Ų | 132 | 117 Ų | 117 | 86% | 0.857 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 143.1 | 178.8 | -16.2 | 29.7 | 0 | 0 | 0 | 112.8 | ||
| 181 | G | 76.6 | Confident | 67.7 | Low | 67 Ų | 67 | 117.3 Ų | 117.3 | 69% | 0.691 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 158.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 182 | P | 75.7 | Confident | 66.9 | Low | 125 Ų | 125 | 115.3 Ų | 115.3 | 81% | 0.812 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 150.6 | -177.1 | 29.2 | -34.3 | 0 | 0 | 0 | 113 | ||
| 183 | P | 74 | Confident | 66.1 | Low | 117 Ų | 117 | 116.3 Ų | 116.3 | 76% | 0.76 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 156.2 | 178.6 | 30.1 | -34.9 | 0 | 0 | 0 | 112.7 | ||
| 184 | P | 73.3 | Confident | 64.8 | Low | 118 Ų | 118 | 116.1 Ų | 116.1 | 77% | 0.766 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 146.1 | -179.7 | 28.3 | -34.2 | 0 | 0 | 0 | 112.5 | ||
| 185 | P | 72.3 | Confident | 63.3 | Low | 121 Ų | 121 | 114.8 Ų | 114.8 | 79% | 0.786 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 146.5 | -178.5 | 28.1 | -33.3 | 0 | 0 | 0 | 113.2 | ||
| 186 | P | 69.7 | Low | 61.7 | Low | 126 Ų | 126 | 116.6 Ų | 116.6 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 143.5 | 175.6 | -15.3 | 29.5 | 0 | 0 | 0 | 113.1 | ||
| 187 | G | 56.9 | Low | 60.2 | Low | 78 Ų | 78 | 114.4 Ų | 114.4 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 147.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 188 | L | 59.7 | Low | 58.8 | Low | 173 Ų | 173 | 118.3 Ų | 118.3 | 91% | 0.906 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 141 | -179.6 | -65.7 | 166.7 | 0 | 0 | 0 | 112.4 | ||
| 189 | P | 67.2 | Low | 57 | Low | 116 Ų | 116 | 116 Ų | 116 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -88.4 | 156 | 160.7 | 34 | -30.9 | 0 | 0 | 0 | 112.3 | ||
| 190 | P | 49.5 | Very low | 55.5 | Low | 120 Ų | 120 | 115.7 Ų | 115.7 | 78% | 0.779 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -92.9 | 141.9 | -169.1 | 35.2 | -32.9 | 0 | 0 | 0 | 115.4 | ||
| 191 | S | 44.8 | Very low | 54 | Low | 130 Ų | 130 | 113.1 Ų | 113.1 | 91% | 0.909 | 81% | 0.809 | S | S | * | * | trans | 38.6 | 116.7 | 143.3 | -55.9 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 192 | G | 43.9 | Very low | 52.7 | Low | 80 Ų | 80 | 113.5 Ų | 113.5 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | trans | -163.7 | 103.6 | 154.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 193 | V | 46.5 | Very low | 52.2 | Low | 140 Ų | 140 | 110.6 Ų | 110.6 | 85% | 0.848 | 81% | 0.805 | S | S | * | * | trans | -76.8 | 172 | 171.4 | -67.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 194 | P | 39 | Very low | 52.1 | Low | 115 Ų | 115 | 107.5 Ų | 107.5 | 75% | 0.747 | 79% | 0.785 | S | S | * | * | cis | -145.2 | 165.4 | 18.3 | 37.4 | -14.3 | 0 | 0 | 0 | 119.5 | ||||
| 195 | A | 37 | Very low | 52.3 | Low | 103 Ų | 103 | 103.2 Ų | 103.2 | 85% | 0.851 | 76% | 0.757 | S | S | * | * | trans | 41.1 | 114.2 | 144.7 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 196 | A | 40.6 | Very low | 52.5 | Low | 106 Ų | 106 | 103 Ų | 103 | 88% | 0.876 | 76% | 0.756 | S | S | * | * | trans | -159.6 | 146.4 | 142.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 197 | A | 39.1 | Very low | 52.4 | Low | 79 Ų | 79 | 98 Ų | 98 | 65% | 0.653 | 73% | 0.725 | S | S | * | * | trans | -74.4 | 164.2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 198 | H | 44.9 | Very low | 52.8 | Low | 201 Ų | 201 | 96.9 Ų | 96.9 | 93% | 0.931 | 70% | 0.704 | S | S | * | * | trans | 154.6 | 146.6 | 131.4 | -77.7 | -54.8 | 0 | 0 | 0 | 114.4 | ||||
| 199 | G | 38.8 | Very low | 53.2 | Low | 72 Ų | 72 | 94.5 Ų | 94.5 | 74% | 0.742 | 70% | 0.698 | S | S | * | * | trans | 140.9 | 64.2 | 163.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 200 | A | 41.9 | Very low | 53 | Low | 110 Ų | 110 | 93.5 Ų | 93.5 | 91% | 0.909 | 69% | 0.686 | S | S | * | * | 56.8 | 72.4 | 86.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 201 | G | 42.7 | Very low | 53.5 | Low | 79 Ų | 79 | 93.3 Ų | 93.3 | 81% | 0.814 | 69% | 0.685 | S | S | * | * | trans | -95.1 | 114.1 | 157.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | G203 | G201-G203 PolarHBondContact O-N 2.73Š| ||
| 202 | G | 49.1 | Very low | 53.7 | Low | 75 Ų | 75 | 91.4 Ų | 91.4 | 77% | 0.773 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 126.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 203 | G | 65.9 | Low | 53.7 | Low | 63 Ų | 63 | 92.3 Ų | 92.3 | 65% | 0.649 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 162.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | G201 | G201-G203 PolarHBondContact O-N 2.73Š|
| 204 | P | 70.8 | Confident | 53.4 | Low | 52 Ų | 52 | 94.9 Ų | 94.9 | 34% | 0.338 | 68% | 0.679 | S | S | . | * | P | Polyproline II helix | trans | -60.8 | 149.1 | 177.7 | 26.6 | -34.8 | 0 | 0 | 0 | 111.6 | M14 W23 F79 | M14-P204 HydrophobicContact CE-CG 4.25Å; M14-P204 HydrophobicContact SD-CB 4.45Å; M14-P204 HydrophobicContact SD-CG 4.29Å; W23-P204 HydrophobicContact CB-CG 3.91Å; W23-P204 HydrophobicContact CG-CB 4.1Å; W23-P204 HydrophobicContact CG-CG 3.88Å; F79-P204 HydrophobicContact CD2-CB 4.14Å; F79-P204 HydrophobicContact CE2-CB 3.74Å; F79-P204 HydrophobicContact CZ-CB 3.99Å |
| 205 | P | 79 | Confident | 53.5 | Low | 29 Ų | 29 | 92.2 Ų | 92.2 | 19% | 0.188 | 67% | 0.673 | C | S | . | * | P | Polyproline II helix | trans | -65.5 | 158.2 | -179.4 | 30.5 | -37.7 | 0 | 0 | 0 | 112 | W23 A75 T76 F79 | W23-P205 PolarHBondContact NE1-O 2.83Å; A75-P205 HydrophobicContact CB-CG 3.88Å; T76-P205 HydrophobicContact CG2-CB 4.39Å; T76-P205 HydrophobicContact CG2-CG 4.06Å; F79-P205 HydrophobicContact CB-CG 4.45Å; F79-P205 VanDerWaalsContact CD1-CD 3.45Å; F79-P205 HydrophobicContact CD1-CG 3.42Å; F79-P205 VanDerWaalsContact CD1-CG 3.42Å; F79-P205 HydrophobicContact CE1-CG 3.87Å; F79-P205 HydrophobicContact CG-CG 4.08Å |
| 206 | P | 75.9 | Confident | 54.1 | Low | 116 Ų | 116 | 93.6 Ų | 93.6 | 75% | 0.753 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 145.4 | 172.7 | 27.6 | -34.5 | 0 | 0 | 0 | 110.9 | ||
| 207 | A | 66.3 | Low | 54.1 | Low | 20 Ų | 20 | 92.5 Ų | 92.5 | 17% | 0.165 | 67% | 0.672 | C | S | . | * | P | Polyproline II helix | trans | -65.1 | 149.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y16 | Y16-A207 HydrophobicContact CD1-CB 3.94Å; Y16-A207 HydrophobicContact CD2-CB 3.77Å; Y16-A207 HydrophobicContact CE1-CB 3.61Å; Y16-A207 HydrophobicContact CE2-CB 3.45Å; Y16-A207 VanDerWaalsContact CE2-CB 3.45Å; Y16-A207 HydrophobicContact CG-CB 4Å |
| 208 | P | 66.1 | Low | 54.2 | Low | 56 Ų | 56 | 92.6 Ų | 92.6 | 36% | 0.364 | 68% | 0.681 | S | S | . | * | P | Polyproline II helix | trans | -63.3 | 147.5 | 174 | 27.9 | -33.7 | 0 | 0 | 0 | 110 | L210 | P208-L210 PolarHBondContact O-N 2.92Š|
| 209 | P | 69 | Low | 53.9 | Low | 122 Ų | 122 | 87.1 Ų | 87.1 | 79% | 0.792 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -58 | 139.3 | 177.9 | 24.7 | -33.2 | 0 | 0 | 0 | 110.4 | ||
| 210 | L | 62.3 | Low | 54 | Low | 96 Ų | 96 | 87.3 Ų | 87.3 | 50% | 0.503 | 68% | 0.681 | S | S | . | * | P | Polyproline II helix | trans | -58.6 | 142.4 | 169.5 | -74.7 | 161.5 | 0 | 0 | 0 | 108.9 | R83 P208 A212 | R83-L210 VanDerWaalsContact CZ-CD2 3.45Å; P208-L210 PolarHBondContact O-N 2.92Å; L210-A212 PolarHBondContact O-N 3.31Å; L210-A212 VanDerWaalsContact O-N 3.09Å |
| 211 | P | 60.4 | Low | 54.1 | Low | 115 Ų | 115 | 87.4 Ų | 87.4 | 75% | 0.747 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 120.9 | 166.1 | -17.2 | 28.9 | 0 | 0 | 0 | 107.8 | A213 | P211-A213 PolarHBondContact O-N 2.79Š|
| 212 | A | 48.5 | Very low | 54.2 | Low | 90 Ų | 90 | 87.4 Ų | 87.4 | 74% | 0.744 | 68% | 0.682 | S | S | * | * | trans | -60.7 | 110.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 107.7 | L210 Q214 | L210-A212 PolarHBondContact O-N 3.31Å; L210-A212 VanDerWaalsContact O-N 3.09Å; A212-Q214 VanDerWaalsContact C-N 3.32Å; A212-Q214 PolarHBondContact O-N 3.3Å | ||
| 213 | A | 44.8 | Very low | 54.5 | Low | 100 Ų | 100 | 88.6 Ų | 88.6 | 83% | 0.826 | 69% | 0.685 | S | S | * | * | trans | -61.8 | 103.5 | 161 | 0 | 0 | 0 | 0 | 0 | 105.9 | P211 G215 | P211-A213 PolarHBondContact O-N 2.79Å; A213-G215 PolarHBondContact O-N 3.18Å | ||
| 214 | Q | 40 | Very low | 53.9 | Low | 193 Ų | 193 | 91.1 Ų | 91.1 | 90% | 0.902 | 69% | 0.69 | S | S | * | * | trans | -64.8 | 87.2 | 166.8 | -72.9 | 178.8 | 20.2 | 0 | 0 | 107.2 | A212 | A212-Q214 VanDerWaalsContact C-N 3.32Å; A212-Q214 PolarHBondContact O-N 3.3Å | ||
| 215 | G | 40.6 | Very low | 53.1 | Low | 59 Ų | 59 | 91.3 Ų | 91.3 | 61% | 0.608 | 70% | 0.701 | S | S | * | * | trans | -110.1 | 118.8 | 159.3 | 0 | 0 | 0 | 0 | 0 | 107.3 | A213 | A213-G215 PolarHBondContact O-N 3.18Š| ||
| 216 | P | 48.8 | Very low | 52.3 | Low | 132 Ų | 132 | 96.7 Ų | 96.7 | 86% | 0.857 | 73% | 0.727 | S | S | * | * | trans | -67.5 | 135.4 | 165.3 | 16.9 | -7.7 | 0 | 0 | 0 | 108.2 | ||||
| 217 | G | 42 | Very low | 51.5 | Low | 83 Ų | 83 | 95.3 Ų | 95.3 | 86% | 0.856 | 73% | 0.726 | S | S | * | * | trans | -64.5 | 179.5 | -169.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 218 | G | 40.4 | Very low | 51.2 | Low | 81 Ų | 81 | 97.7 Ų | 97.7 | 84% | 0.835 | 75% | 0.745 | S | S | * | * | trans | 134 | 102.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 219 | G | 38.8 | Very low | 50.9 | Low | 87 Ų | 87 | 98.6 Ų | 98.6 | 90% | 0.897 | 76% | 0.758 | S | S | * | * | trans | -69.9 | 174.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 220 | G | 40.7 | Very low | 50.6 | Low | 76 Ų | 76 | 98.6 Ų | 98.6 | 78% | 0.784 | 75% | 0.75 | S | S | * | * | trans | 115.7 | 99.5 | 163.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 221 | A | 44.1 | Very low | 50.7 | Low | 111 Ų | 111 | 98.6 Ų | 98.6 | 92% | 0.917 | 76% | 0.763 | S | S | * | * | trans | 44.2 | 119.8 | 144 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 222 | G | 43.8 | Very low | 50.8 | Low | 80 Ų | 80 | 96.2 Ų | 96.2 | 83% | 0.825 | 76% | 0.76 | S | S | * | * | trans | 124.4 | 122.2 | 152.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 223 | A | 55.4 | Low | 51.3 | Low | 100 Ų | 100 | 95.7 Ų | 95.7 | 83% | 0.826 | 76% | 0.755 | S | S | * | * | trans | -57.6 | -179.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 224 | P | 53.9 | Low | 52.1 | Low | 116 Ų | 116 | 100.8 Ų | 100.8 | 75% | 0.753 | 76% | 0.759 | S | S | * | * | cis | -134.2 | 174.1 | 1.9 | 29.7 | -5.5 | 0 | 0 | 0 | 114.8 | ||||
| 225 | G | 55 | Low | 53.4 | Low | 56 Ų | 56 | 99.8 Ų | 99.8 | 58% | 0.577 | 76% | 0.759 | S | S | * | * | trans | -72.4 | 167.4 | -166.6 | 0 | 0 | 0 | 0 | 0 | 118.4 | A227 A228 | G225-A227 PolarHBondContact O-N 3.34Å; G225-A228 PolarHBondContact O-N 3.08Å | ||
| 226 | L | 62.1 | Low | 54.8 | Low | 141 Ų | 141 | 107.4 Ų | 107.4 | 74% | 0.738 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -40.2 | -26.3 | -178.2 | -167 | 77.5 | 0 | 0 | 0 | 116.1 | A228 A229 | L226-A228 PolarHBondContact O-N 2.8Å; L226-A229 WeakPolarHBondContact O-CB 3.36Å; L226-A229 PolarHBondContact O-N 2.93Å |
| 227 | A | 57.9 | Low | 55.3 | Low | 88 Ų | 88 | 110.7 Ų | 110.7 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | H | α-helix | trans | -61.6 | -30.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | G225 A229 | G225-A227 PolarHBondContact O-N 3.34Å; A227-A229 VanDerWaalsContact C-N 3.33Å |
| 228 | A | 60.8 | Low | 55.8 | Low | 69 Ų | 69 | 112.6 Ų | 112.6 | 57% | 0.57 | 77% | 0.765 | S | S | * | * | H | α-helix | trans | -73.7 | -24 | 174 | 0 | 0 | 0 | 0 | 0 | 113 | G225 L226 I230 | G225-A228 PolarHBondContact O-N 3.08Å; L226-A228 PolarHBondContact O-N 2.8Å; A228-I230 PolarHBondContact O-N 2.79Å |
| 229 | A | 59.8 | Low | 56.5 | Low | 76 Ų | 76 | 113.8 Ų | 113.8 | 63% | 0.628 | 76% | 0.76 | S | S | * | * | H | α-helix | trans | -78.2 | -18 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | L226 A227 | L226-A229 WeakPolarHBondContact O-CB 3.36Å; L226-A229 PolarHBondContact O-N 2.93Å; A227-A229 VanDerWaalsContact C-N 3.33Å |
| 230 | I | 62.8 | Low | 56.7 | Low | 122 Ų | 122 | 118.4 Ų | 118.4 | 63% | 0.626 | 76% | 0.756 | S | S | * | * | H | α-helix | trans | -94.7 | -20 | -176.8 | -50.1 | 175 | 0 | 0 | 0 | 111.8 | A228 G232 | A228-I230 PolarHBondContact O-N 2.79Å; I230-G232 PolarHBondContact O-N 3.24Å |
| 231 | A | 64.9 | Low | 56.9 | Low | 95 Ų | 95 | 124 Ų | 124 | 79% | 0.785 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | -11.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 232 | G | 62.7 | Low | 56.8 | Low | 65 Ų | 65 | 125.8 Ų | 125.8 | 67% | 0.67 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.5 | -3.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | I230 K234 | I230-G232 PolarHBondContact O-N 3.24Å; G232-K234 PolarHBondContact O-N 3.07Å |
| 233 | A | 58.3 | Low | 56.8 | Low | 79 Ų | 79 | 130.5 Ų | 130.5 | 65% | 0.653 | 75% | 0.751 | S | S | * | * | trans | -80.5 | 83.9 | -173.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L235 | A233-L235 PolarHBondContact O-N 3.03Š| ||
| 234 | K | 62 | Low | 56.3 | Low | 207 Ų | 207 | 129.7 Ų | 129.7 | 90% | 0.9 | 75% | 0.745 | S | S | * | * | trans | -86.6 | 99.2 | 165.6 | -67.9 | -179.5 | 116.5 | -179.5 | 0 | 109.7 | G232 R236 | G232-K234 PolarHBondContact O-N 3.07Å; K234-R236 PolarHBondContact O-N 3.38Å | ||
| 235 | L | 66.3 | Low | 55.9 | Low | 172 Ų | 172 | 130.5 Ų | 130.5 | 90% | 0.901 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 118.9 | 171.9 | -70.3 | 169.2 | 0 | 0 | 0 | 110.1 | A233 | A233-L235 PolarHBondContact O-N 3.03Š|
| 236 | R | 70.1 | Confident | 55.2 | Low | 220 Ų | 220 | 131.6 Ų | 131.6 | 83% | 0.83 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 133.2 | 171 | 59.7 | -174.4 | 173.8 | 93.8 | 0.3 | 110.4 | K234 | K234-R236 PolarHBondContact O-N 3.38Š|
| 237 | K | 59.5 | Low | 54.3 | Low | 200 Ų | 200 | 128.5 Ų | 128.5 | 87% | 0.87 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 125.3 | 178.1 | -173.9 | 157.8 | 178.4 | 170.4 | 0 | 110.2 | ||
| 238 | V | 52.3 | Low | 53.5 | Low | 124 Ų | 124 | 130.4 Ų | 130.4 | 75% | 0.752 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -98.1 | 119.5 | 174.8 | 178.8 | 0 | 0 | 0 | 0 | 108.5 | ||
| 239 | S | 55.4 | Low | 52.9 | Low | 105 Ų | 105 | 134.2 Ų | 134.2 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -93.4 | 138 | 169.7 | -48.2 | 0 | 0 | 0 | 0 | 109.4 | ||
| 240 | K | 43.1 | Very low | 52.2 | Low | 185 Ų | 185 | 135.1 Ų | 135.1 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -62 | 129.6 | 178.5 | 179.5 | 177.4 | 176 | 177.2 | 0 | 112.5 | ||
| 241 | Q | 45.1 | Very low | 51.5 | Low | 194 Ų | 194 | 135.2 Ų | 135.2 | 91% | 0.907 | 80% | 0.804 | S | S | * | * | trans | -149.7 | 134 | 154.4 | -168.2 | 170.2 | -27.2 | 0 | 0 | 110.8 | ||||
| 242 | E | 41.1 | Very low | 50.3 | Low | 147 Ų | 147 | 140.4 Ų | 140.4 | 69% | 0.687 | 81% | 0.809 | S | S | * | * | trans | -85 | 166.7 | -176.1 | -109.6 | 158.2 | 87.2 | 0 | 0 | 113.2 | ||||
| 243 | E | 44.6 | Very low | 49.1 | Very low | 179 Ų | 179 | 141.1 Ų | 141.1 | 84% | 0.836 | 81% | 0.808 | S | S | * | * | trans | 96.4 | 136 | 152.8 | -75.7 | -97.7 | 85.9 | 0 | 0 | 121.6 | ||||
| 244 | A | 44.3 | Very low | 48.3 | Very low | 84 Ų | 84 | 146.3 Ų | 146.3 | 69% | 0.694 | 82% | 0.819 | S | S | * | * | trans | 90.5 | 95.9 | 155.5 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 245 | S | 45.5 | Very low | 47.4 | Very low | 132 Ų | 132 | 142.6 Ų | 142.6 | 92% | 0.923 | 82% | 0.819 | S | S | * | * | 62.9 | 126.4 | 124.7 | -78.4 | 0 | 0 | 0 | 0 | 123 | |||||
| 246 | G | 41.8 | Very low | 46.2 | Very low | 80 Ų | 80 | 137.6 Ų | 137.6 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | trans | 147.4 | 100 | 146.4 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 247 | G | 43 | Very low | 45.1 | Very low | 76 Ų | 76 | 138.9 Ų | 138.9 | 78% | 0.784 | 82% | 0.815 | S | S | * | * | trans | -76.4 | -177.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 248 | P | 41 | Very low | 44.4 | Very low | 128 Ų | 128 | 135 Ų | 135 | 83% | 0.831 | 81% | 0.812 | S | S | * | * | trans | -100.1 | 160.4 | -153.9 | 38.1 | -33.6 | 0 | 0 | 0 | 114.4 | ||||
| 249 | T | 46.5 | Very low | 44.1 | Very low | 148 Ų | 148 | 132.7 Ų | 132.7 | 91% | 0.908 | 81% | 0.813 | S | S | * | * | trans | -139.5 | 131.7 | 158.5 | 52 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 250 | A | 46.2 | Very low | 43.7 | Very low | 96 Ų | 96 | 131.9 Ų | 131.9 | 79% | 0.793 | 82% | 0.822 | S | S | * | * | trans | -139.7 | 176.4 | 160.5 | 0 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 251 | P | 48.5 | Very low | 44.3 | Very low | 123 Ų | 123 | 125 Ų | 125 | 80% | 0.799 | 80% | 0.804 | S | S | * | * | cis | -131.9 | 172.1 | -16.9 | 32.8 | -14.1 | 0 | 0 | 0 | 112.5 | ||||
| 252 | K | 38.5 | Very low | 45.8 | Very low | 204 Ų | 204 | 118.2 Ų | 118.2 | 89% | 0.887 | 79% | 0.785 | S | S | * | * | trans | -163.1 | 129.6 | 142.4 | -139.3 | 176.4 | 179.6 | -179.9 | 0 | 112.5 | ||||
| 253 | A | 38.3 | Very low | 47.8 | Very low | 80 Ų | 80 | 118.4 Ų | 118.4 | 66% | 0.661 | 79% | 0.791 | S | S | * | * | trans | 22.1 | 130.7 | 150.6 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 254 | E | 41.9 | Very low | 49.8 | Very low | 189 Ų | 189 | 118 Ų | 118 | 88% | 0.883 | 79% | 0.79 | S | S | * | * | 171.7 | 144.2 | 103.1 | -87.4 | 178.3 | 138.5 | 0 | 0 | 110.8 | |||||
| 255 | S | 42.1 | Very low | 51.9 | Low | 128 Ų | 128 | 120.2 Ų | 120.2 | 90% | 0.895 | 79% | 0.787 | S | S | * | * | trans | 78.1 | 116.9 | 157.7 | -153.1 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 256 | G | 42 | Very low | 53.8 | Low | 68 Ų | 68 | 119.9 Ų | 119.9 | 70% | 0.701 | 77% | 0.77 | S | S | * | * | 106.6 | 99.6 | 129.9 | 0 | 0 | 0 | 0 | 0 | 118.2 | |||||
| 257 | R | 47.1 | Very low | 56 | Low | 247 Ų | 247 | 122.2 Ų | 122.2 | 93% | 0.932 | 76% | 0.761 | S | S | * | * | trans | 85.9 | 97.1 | 134.1 | -152 | 168.7 | 173.2 | -171.4 | -3.4 | 118.1 | ||||
| 258 | S | 44.1 | Very low | 58.3 | Low | 118 Ų | 118 | 123.8 Ų | 123.8 | 83% | 0.825 | 75% | 0.752 | S | S | * | * | trans | 66.4 | 92.5 | 137.7 | -152.4 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 259 | G | 45.6 | Very low | 60.6 | Low | 75 Ų | 75 | 119.5 Ų | 119.5 | 77% | 0.773 | 73% | 0.727 | S | S | * | * | trans | -50.5 | 138.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | G261 | G259-G261 PolarHBondContact O-N 3.34Š| ||
| 260 | G | 47.4 | Very low | 62.7 | Low | 88 Ų | 88 | 117.2 Ų | 117.2 | 91% | 0.907 | 71% | 0.708 | S | S | * | * | trans | -71.6 | 109.2 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 261 | G | 56.6 | Low | 64.9 | Low | 42 Ų | 42 | 116.5 Ų | 116.5 | 43% | 0.433 | 69% | 0.69 | S | S | . | * | trans | -84.5 | 126 | 160.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | G259 E265 | G259-G261 PolarHBondContact O-N 3.34Å; G261-E265 WeakPolarHBondContact CA-OE2 3.43Å | ||
| 262 | G | 74.7 | Confident | 66.9 | Low | 50 Ų | 50 | 112.7 Ų | 112.7 | 52% | 0.515 | 67% | 0.669 | S | S | . | * | trans | -65.7 | 165.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113 | M264 E265 E266 | G262-M264 PolarHBondContact O-N 2.95Å; G262-E265 WeakPolarHBondContact O-CB 3.3Å; G262-E265 PolarHBondContact O-N 3.17Å; G262-E266 PolarHBondContact O-N 2.97Å | ||
| 263 | L | 84.5 | Confident | 69.3 | Low | 152 Ų | 152 | 111.9 Ų | 111.9 | 80% | 0.796 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -46.8 | -33.3 | -176.9 | -151.3 | 92.5 | 0 | 0 | 0 | 114.6 | E266 M267 | L263-E266 PolarHBondContact O-N 3.01Å; L263-M267 PolarHBondContact O-N 2.93Å |
| 264 | M | 86.4 | Confident | 71.7 | Confident | 169 Ų | 169 | 116.4 Ų | 116.4 | 83% | 0.833 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -67.9 | -36.1 | 178.8 | -166.2 | 172.7 | -175.4 | 0 | 0 | 112.6 | G262 N268 | G262-M264 PolarHBondContact O-N 2.95Å; M264-N268 PolarHBondContact O-N 3.18Å |
| 265 | E | 89.1 | Confident | 74.1 | Confident | 132 Ų | 132 | 116.9 Ų | 116.9 | 62% | 0.617 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -73.8 | -36.3 | 176.8 | -169.7 | 169.6 | -175.5 | 0 | 0 | 111.2 | G261 G262 N268 A269 | G261-E265 WeakPolarHBondContact CA-OE2 3.43Å; G262-E265 WeakPolarHBondContact O-CB 3.3Å; G262-E265 PolarHBondContact O-N 3.17Å; E265-N268 PolarHBondContact O-N 3.41Å; E265-A269 VanDerWaalsContact O-CB 3.28Å; E265-A269 WeakPolarHBondContact O-CB 3.47Å; E265-A269 PolarHBondContact O-N 3.38Å |
| 266 | E | 85.2 | Confident | 75.8 | Confident | 124 Ų | 124 | 118 Ų | 118 | 58% | 0.579 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -63 | -42.5 | 172.7 | -167.3 | -176.3 | 152.1 | 0 | 0 | 111.8 | G262 L263 A269 M270 | G262-E266 PolarHBondContact O-N 2.97Å; L263-E266 PolarHBondContact O-N 3.01Å; E266-A269 PolarHBondContact O-N 3.5Å; E266-M270 WeakPolarHBondContact O-CB 3.39Å; E266-M270 PolarHBondContact O-N 3.17Å |
| 267 | M | 88 | Confident | 77.2 | Confident | 129 Ų | 129 | 118.5 Ų | 118.5 | 64% | 0.635 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -63.8 | -43.9 | 174.7 | -169 | -167.4 | -173.2 | 0 | 0 | 111.7 | L263 M270 L271 | L263-M267 PolarHBondContact O-N 2.93Å; M267-M270 PolarHBondContact O-N 3.49Å; M267-L271 HydrophobicContact CG-CD1 4.37Å; M267-L271 WeakPolarHBondContact O-CG 3.37Å; M267-L271 PolarHBondContact O-N 2.93Å |
| 268 | N | 90.2 | Very high | 78.2 | Confident | 110 Ų | 110 | 113 Ų | 113 | 59% | 0.588 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -64 | -42.7 | 176.8 | -167.7 | 14.8 | 0 | 0 | 0 | 111.3 | M264 E265 M270 L271 A272 | M264-N268 PolarHBondContact O-N 3.18Å; E265-N268 PolarHBondContact O-N 3.41Å; N268-M270 VanDerWaalsContact C-N 3.31Å; N268-M270 PolarHBondContact O-N 3.3Å; N268-L271 PolarHBondContact O-N 3.33Å; N268-A272 WeakPolarHBondContact O-CB 3.32Å; N268-A272 PolarHBondContact O-N 2.95Å |
| 269 | A | 90.5 | Very high | 79 | Confident | 38 Ų | 38 | 115.1 Ų | 115.1 | 31% | 0.314 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -61.9 | -37.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | E265 E266 A272 R273 | E265-A269 VanDerWaalsContact O-CB 3.28Å; E265-A269 WeakPolarHBondContact O-CB 3.47Å; E265-A269 PolarHBondContact O-N 3.38Å; E266-A269 PolarHBondContact O-N 3.5Å; A269-A272 PolarHBondContact O-N 3.34Å; A269-R273 WeakPolarHBondContact O-CG 3.1Å; A269-R273 PolarHBondContact O-N 2.9Å |
| 270 | M | 90.6 | Very high | 79.5 | Confident | 100 Ų | 100 | 117.3 Ų | 117.3 | 49% | 0.493 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -69.4 | -41.6 | 176.5 | -170 | 169.9 | -64.4 | 0 | 0 | 112.3 | E266 M267 N268 R273 R274 | E266-M270 WeakPolarHBondContact O-CB 3.39Å; E266-M270 PolarHBondContact O-N 3.17Å; M267-M270 PolarHBondContact O-N 3.49Å; N268-M270 VanDerWaalsContact C-N 3.31Å; N268-M270 PolarHBondContact O-N 3.3Å; M270-R273 PolarHBondContact O-N 3.05Å; M270-R274 PolarHBondContact O-N 2.98Å |
| 271 | L | 92.3 | Very high | 79.6 | Confident | 81 Ų | 81 | 116.8 Ų | 116.8 | 42% | 0.424 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -61.5 | -42.8 | 172.2 | -74.2 | 167.1 | 0 | 0 | 0 | 111.3 | M267 N268 R274 R275 | M267-L271 HydrophobicContact CG-CD1 4.37Å; M267-L271 WeakPolarHBondContact O-CG 3.37Å; M267-L271 PolarHBondContact O-N 2.93Å; N268-L271 PolarHBondContact O-N 3.33Å; L271-R274 PolarHBondContact O-N 3.15Å; L271-R275 PolarHBondContact O-N 3.04Å |
| 272 | A | 89.6 | Confident | 78.8 | Confident | 43 Ų | 43 | 123.7 Ų | 123.7 | 36% | 0.355 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -63.5 | -40.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | N268 A269 R275 K276 | N268-A272 WeakPolarHBondContact O-CB 3.32Å; N268-A272 PolarHBondContact O-N 2.95Å; A269-A272 PolarHBondContact O-N 3.34Å; A272-R275 PolarHBondContact O-N 3.03Å; A272-K276 WeakPolarHBondContact O-CG 3.25Å; A272-K276 PolarHBondContact O-N 2.84Å |
| 273 | R | 89.5 | Confident | 77.2 | Confident | 187 Ų | 187 | 130.1 Ų | 130.1 | 71% | 0.706 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -64.8 | -41.2 | 174.2 | -74.6 | -176.8 | -137.8 | -115.7 | 5.2 | 112.4 | A269 M270 K276 A277 | A269-R273 WeakPolarHBondContact O-CG 3.1Å; A269-R273 PolarHBondContact O-N 2.9Å; M270-R273 PolarHBondContact O-N 3.05Å; R273-K276 PolarHBondContact O-N 3.43Å; R273-A277 WeakPolarHBondContact O-CB 3.25Å; R273-A277 PolarHBondContact O-N 2.79Å |
| 274 | R | 89.4 | Confident | 75.1 | Confident | 175 Ų | 175 | 128.9 Ų | 128.9 | 66% | 0.66 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -61.8 | -43.4 | 175.1 | -80.5 | -175 | 176.2 | 174.1 | 0.4 | 111.7 | M270 L271 K276 A277 T278 | M270-R274 PolarHBondContact O-N 2.98Å; L271-R274 PolarHBondContact O-N 3.15Å; R274-K276 VanDerWaalsContact C-N 3.32Å; R274-K276 PolarHBondContact O-N 2.98Å; R274-A277 PolarHBondContact O-N 2.89Å; R274-T278 PolarHBondContact O-N 2.84Å; R274-T278 VanDerWaalsContact O-N 3.16Å; R274-T278 PolarHBondContact O-OG1 3.14Å |
| 275 | R | 90.5 | Very high | 72.9 | Confident | 199 Ų | 199 | 125.9 Ų | 125.9 | 75% | 0.751 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -59.8 | -41.2 | 174.3 | -73 | -178.4 | -179.4 | 167.2 | 0.9 | 112.2 | L271 A272 Q279 | L271-R275 PolarHBondContact O-N 3.04Å; A272-R275 PolarHBondContact O-N 3.03Å; R275-Q279 PolarHBondContact O-N 3.12Å |
| 276 | K | 79.6 | Confident | 70.6 | Confident | 151 Ų | 151 | 128.1 Ų | 128.1 | 66% | 0.657 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -67.9 | -40.8 | 176 | -71 | -175.9 | 179 | -172.4 | 0 | 112.3 | A272 R273 R274 T278 Q279 V280 | A272-K276 WeakPolarHBondContact O-CG 3.25Å; A272-K276 PolarHBondContact O-N 2.84Å; R273-K276 PolarHBondContact O-N 3.43Å; R274-K276 VanDerWaalsContact C-N 3.32Å; R274-K276 PolarHBondContact O-N 2.98Å; K276-T278 VanDerWaalsContact C-N 3.3Å; K276-T278 PolarHBondContact O-N 2.82Å; K276-Q279 PolarHBondContact O-N 3.45Å; K276-Q279 VanDerWaalsContact O-N 3.07Å; K276-V280 VanDerWaalsContact O-CG2 3.24Å; K276-V280 WeakPolarHBondContact O-CG2 3.11Å; K276-V280 PolarHBondContact O-N 2.97Å |
| 277 | A | 71 | Confident | 68.6 | Low | 79 Ų | 79 | 127.6 Ų | 127.6 | 65% | 0.653 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -65.5 | -30.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | R273 R274 Q279 | R273-A277 WeakPolarHBondContact O-CB 3.25Å; R273-A277 PolarHBondContact O-N 2.79Å; R274-A277 PolarHBondContact O-N 2.89Å; A277-Q279 VanDerWaalsContact C-N 3.32Å |
| 278 | T | 67.4 | Low | 66.6 | Low | 130 Ų | 130 | 129 Ų | 129 | 80% | 0.798 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -79.6 | -13.4 | 174 | -36 | 0 | 0 | 0 | 0 | 113.1 | R274 K276 | R274-T278 PolarHBondContact O-N 2.84Å; R274-T278 VanDerWaalsContact O-N 3.16Å; R274-T278 PolarHBondContact O-OG1 3.14Å; K276-T278 VanDerWaalsContact C-N 3.3Å; K276-T278 PolarHBondContact O-N 2.82Å |
| 279 | Q | 60.7 | Low | 64.3 | Low | 164 Ų | 164 | 128.6 Ų | 128.6 | 77% | 0.766 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -112 | -10.6 | -177.3 | -135.7 | -174 | 56.4 | 0 | 0 | 114.2 | R275 K276 A277 G281 | R275-Q279 PolarHBondContact O-N 3.12Å; K276-Q279 PolarHBondContact O-N 3.45Å; K276-Q279 VanDerWaalsContact O-N 3.07Å; A277-Q279 VanDerWaalsContact C-N 3.32Å; Q279-G281 PolarHBondContact O-N 3.46Å |
| 280 | V | 56.6 | Low | 62.2 | Low | 121 Ų | 121 | 131.2 Ų | 131.2 | 73% | 0.733 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.3 | 69.1 | 172.5 | 178.5 | 0 | 0 | 0 | 0 | 108.8 | K276 | K276-V280 VanDerWaalsContact O-CG2 3.24Å; K276-V280 WeakPolarHBondContact O-CG2 3.11Å; K276-V280 PolarHBondContact O-N 2.97Å |
| 281 | G | 49.3 | Very low | 59.9 | Low | 77 Ų | 77 | 133.1 Ų | 133.1 | 79% | 0.794 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.2 | -6.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q279 | Q279-G281 PolarHBondContact O-N 3.46Š|
| 282 | E | 40.9 | Very low | 57.6 | Low | 186 Ų | 186 | 136.3 Ų | 136.3 | 87% | 0.869 | 72% | 0.717 | S | S | * | * | trans | -134.4 | 108.5 | -177.6 | -150.7 | 171.7 | 108.1 | 0 | 0 | 110.4 | ||||
| 283 | K | 40.5 | Very low | 55.4 | Low | 186 Ų | 186 | 143.1 Ų | 143.1 | 81% | 0.809 | 74% | 0.741 | S | S | * | * | trans | -105.2 | 115.3 | 172.7 | -83.2 | -174.4 | 177.6 | 177.1 | 0 | 108.3 | ||||
| 284 | T | 39.8 | Very low | 53.3 | Low | 125 Ų | 125 | 142.7 Ų | 142.7 | 77% | 0.767 | 75% | 0.747 | S | S | * | * | trans | 57.5 | 156.1 | 137.3 | 44.3 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 285 | P | 40.7 | Very low | 51.4 | Low | 106 Ų | 106 | 138.7 Ų | 138.7 | 69% | 0.688 | 74% | 0.744 | S | S | * | * | cis | -141.3 | 169.7 | -19.4 | 37 | -17.6 | 0 | 0 | 0 | 114.6 | ||||
| 286 | K | 41.1 | Very low | 49.2 | Very low | 180 Ų | 180 | 138 Ų | 138 | 78% | 0.783 | 75% | 0.749 | S | S | * | * | trans | 75.2 | 124.4 | 135.2 | -168.8 | 165.5 | -176.6 | 177.3 | 0 | 120.6 | ||||
| 287 | D | 42.5 | Very low | 47.4 | Very low | 113 Ų | 113 | 135.1 Ų | 135.1 | 60% | 0.604 | 75% | 0.754 | S | S | * | * | trans | 86 | 126.8 | 146.5 | -89.3 | -49.8 | 0 | 0 | 0 | 122.7 | ||||
| 288 | E | 46.3 | Very low | 46.1 | Very low | 159 Ų | 159 | 143.5 Ų | 143.5 | 74% | 0.743 | 77% | 0.768 | S | S | * | * | trans | 66.4 | 125.6 | 139.2 | -84.8 | 173.6 | 66.3 | 0 | 0 | 123.2 | ||||
| 289 | S | 42.6 | Very low | 44.9 | Very low | 101 Ų | 101 | 143.9 Ų | 143.9 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | trans | 77.2 | 103.5 | 139.2 | -58.4 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 290 | A | 45.2 | Very low | 44 | Very low | 93 Ų | 93 | 141.5 Ų | 141.5 | 77% | 0.769 | 77% | 0.769 | S | S | * | * | 88 | 131.2 | 76.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 291 | N | 41.9 | Very low | 43.2 | Very low | 139 Ų | 139 | 140 Ų | 140 | 74% | 0.743 | 77% | 0.769 | S | S | * | * | trans | 70 | 148.9 | 165.1 | -97.2 | 8.3 | 0 | 0 | 0 | 117.9 | ||||
| 292 | Q | 43.7 | Very low | 43.1 | Very low | 149 Ų | 149 | 145.2 Ų | 145.2 | 70% | 0.696 | 77% | 0.773 | S | S | * | * | cis | 179.4 | 166.9 | -14.6 | -162.7 | 162.2 | 62.3 | 0 | 0 | 105 | ||||
| 293 | E | 45 | Very low | 43.4 | Very low | 185 Ų | 185 | 141.7 Ų | 141.7 | 86% | 0.864 | 77% | 0.769 | S | S | * | * | trans | 105.6 | 115.5 | 155.4 | -55.3 | -177.5 | 98.5 | 0 | 0 | 119.6 | ||||
| 294 | E | 45.6 | Very low | 43.2 | Very low | 179 Ų | 179 | 141.9 Ų | 141.9 | 84% | 0.836 | 77% | 0.773 | S | S | * | * | trans | -91.3 | -160.6 | 174 | -132.2 | -150.3 | 130.2 | 0 | 0 | 109 | ||||
| 295 | P | 49 | Very low | 43.8 | Very low | 91 Ų | 91 | 141 Ų | 141 | 59% | 0.591 | 77% | 0.771 | S | S | * | * | -128.2 | -172.3 | -56.6 | 28.8 | -7.6 | 0 | 0 | 0 | 113.3 | |||||
| 296 | E | 44.7 | Very low | 43.9 | Very low | 184 Ų | 184 | 142.3 Ų | 142.3 | 86% | 0.86 | 78% | 0.777 | S | S | * | * | 154.7 | 118.8 | 123.2 | -161.1 | 162.2 | 108.2 | 0 | 0 | 116.4 | |||||
| 297 | A | 40.5 | Very low | 44.5 | Very low | 91 Ų | 91 | 142.6 Ų | 142.6 | 75% | 0.752 | 77% | 0.773 | S | S | * | * | trans | 37.2 | 122.5 | 145.8 | 0 | 0 | 0 | 0 | 0 | 125.9 | ||||
| 298 | R | 44.8 | Very low | 45.9 | Very low | 254 Ų | 254 | 145 Ų | 145 | 96% | 0.958 | 77% | 0.774 | S | S | * | * | -172.1 | 136.8 | 117 | -118.8 | 173.5 | -178.5 | 166 | 1.7 | 113.7 | |||||
| 299 | V | 42.3 | Very low | 46.5 | Very low | 138 Ų | 138 | 143.2 Ų | 143.2 | 84% | 0.836 | 78% | 0.776 | S | S | * | * | trans | -117.7 | 173.8 | 177.4 | -138.6 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 300 | P | 40.4 | Very low | 47.9 | Very low | 115 Ų | 115 | 146.6 Ų | 146.6 | 75% | 0.747 | 77% | 0.774 | S | S | * | * | cis | -147.3 | -175.7 | 7.9 | 40.7 | -17.7 | 0 | 0 | 0 | 118.9 | ||||
| 301 | A | 41.4 | Very low | 48.5 | Very low | 89 Ų | 89 | 147.5 Ų | 147.5 | 74% | 0.736 | 76% | 0.762 | S | S | * | * | trans | 89.3 | 109.8 | 150.8 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 302 | Q | 46.5 | Very low | 49.4 | Very low | 186 Ų | 186 | 150.2 Ų | 150.2 | 87% | 0.869 | 77% | 0.767 | S | S | * | * | 176.7 | 113.8 | 116 | -92.5 | 178.3 | 11.4 | 0 | 0 | 112 | |||||
| 303 | S | 46.1 | Very low | 49.2 | Very low | 112 Ų | 112 | 150.3 Ų | 150.3 | 78% | 0.783 | 77% | 0.772 | S | S | * | * | trans | 35.4 | 111.3 | 147.6 | 47.4 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 304 | E | 36.9 | Very low | 49.3 | Very low | 191 Ų | 191 | 147 Ų | 147 | 89% | 0.893 | 77% | 0.77 | S | S | * | * | trans | -63.8 | 130.4 | 166.5 | -65 | 168.8 | 102.4 | 0 | 0 | 112.6 | ||||
| 305 | S | 52.7 | Low | 49.3 | Very low | 106 Ų | 106 | 143.9 Ų | 143.9 | 74% | 0.741 | 76% | 0.763 | S | S | * | * | trans | -141.7 | 113.6 | 142 | 33.6 | 0 | 0 | 0 | 0 | 108.1 | R307 | S305-R307 PolarHBondContact O-N 2.96Š| ||
| 306 | V | 42.5 | Very low | 49.3 | Very low | 134 Ų | 134 | 145.2 Ų | 145.2 | 81% | 0.812 | 77% | 0.77 | S | S | * | * | trans | -55.8 | 98.2 | -179 | 173.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 307 | R | 53.8 | Low | 49.9 | Very low | 186 Ų | 186 | 143.9 Ų | 143.9 | 70% | 0.702 | 77% | 0.768 | S | S | * | * | trans | -91.4 | 130.2 | 167.2 | -80.4 | -160.5 | 176.7 | -131.2 | 9.5 | 110.5 | S305 E311 | S305-R307 PolarHBondContact O-N 2.96Å; R307-E311 WeakPolarHBondContact CD-OE2 3.47Å; R307-E311 IonicContact CZ-OE1 3.65Å; R307-E311 IonicContact CZ-OE2 3.18Å; R307-E311 IonicContact NE-OE2 2.79Å; R307-E311 IonicContact NH1-OE1 2.8Å; R307-E311 PolarHBondContact NH1-OE1 3.41Å; R307-E311 IonicContact NH1-OE2 3.96Å; R307-E311 PolarHBondContact NH1-OE2 2.88Å | ||
| 308 | R | 71.6 | Confident | 50.1 | Low | 163 Ų | 163 | 145 Ų | 145 | 62% | 0.615 | 77% | 0.767 | S | S | * | * | trans | -72.1 | 147.4 | -174 | -85.1 | 154.5 | 159.9 | -117.5 | 2 | 110.9 | W310 | R308-W310 HydrophobicContact CB-CD2 3.79Å; R308-W310 HydrophobicContact CB-CE3 3.72Å; R308-W310 HydrophobicContact CB-CH2 3.4Å; R308-W310 VanDerWaalsContact CB-CH2 3.4Å; R308-W310 HydrophobicContact CB-CZ2 3.47Å; R308-W310 VanDerWaalsContact CB-CZ2 3.47Å; R308-W310 HydrophobicContact CB-CZ3 3.51Å; R308-W310 HydrophobicContact CG-CE3 4.45Å; R308-W310 HydrophobicContact CG-CH2 3.28Å; R308-W310 HydrophobicContact CG-CZ2 3.62Å; R308-W310 HydrophobicContact CG-CZ3 3.73Å; R308-W310 PolarHBondContact O-N 2.78Å | ||
| 309 | P | 60.3 | Low | 49.9 | Very low | 122 Ų | 122 | 143.2 Ų | 143.2 | 79% | 0.792 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.4 | -12 | -171.5 | -26.5 | 33.9 | 0 | 0 | 0 | 117.7 | ||
| 310 | W | 71.7 | Confident | 50.4 | Low | 171 Ų | 171 | 145.5 Ų | 145.5 | 65% | 0.648 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.5 | 2.7 | -172.1 | 56.6 | 87.5 | 0 | 0 | 0 | 115.4 | R308 K312 | R308-W310 HydrophobicContact CB-CD2 3.79Å; R308-W310 HydrophobicContact CB-CE3 3.72Å; R308-W310 HydrophobicContact CB-CH2 3.4Å; R308-W310 VanDerWaalsContact CB-CH2 3.4Å; R308-W310 HydrophobicContact CB-CZ2 3.47Å; R308-W310 VanDerWaalsContact CB-CZ2 3.47Å; R308-W310 HydrophobicContact CB-CZ3 3.51Å; R308-W310 HydrophobicContact CG-CE3 4.45Å; R308-W310 HydrophobicContact CG-CH2 3.28Å; R308-W310 HydrophobicContact CG-CZ2 3.62Å; R308-W310 HydrophobicContact CG-CZ3 3.73Å; R308-W310 PolarHBondContact O-N 2.78Å; W310-K312 PolarHBondContact O-N 2.92Å |
| 311 | E | 56.7 | Low | 50.4 | Low | 113 Ų | 113 | 148.7 Ų | 148.7 | 53% | 0.528 | 77% | 0.766 | S | S | . | * | trans | -86.7 | 73.9 | 173 | -75.8 | -172 | 109.5 | 0 | 0 | 111.3 | R307 | R307-E311 WeakPolarHBondContact CD-OE2 3.47Å; R307-E311 IonicContact CZ-OE1 3.65Å; R307-E311 IonicContact CZ-OE2 3.18Å; R307-E311 IonicContact NE-OE2 2.79Å; R307-E311 IonicContact NH1-OE1 2.8Å; R307-E311 PolarHBondContact NH1-OE1 3.41Å; R307-E311 IonicContact NH1-OE2 3.96Å; R307-E311 PolarHBondContact NH1-OE2 2.88Å | ||
| 312 | K | 61.4 | Low | 51 | Low | 195 Ų | 195 | 150.2 Ų | 150.2 | 85% | 0.848 | 77% | 0.772 | S | S | * | * | trans | -139.7 | 101.5 | 164.6 | -63.8 | -174.2 | -177.4 | -179.9 | 0 | 110.7 | W310 | W310-K312 PolarHBondContact O-N 2.92Š| ||
| 313 | N | 38.8 | Very low | 50.9 | Low | 151 Ų | 151 | 147.2 Ų | 147.2 | 81% | 0.807 | 77% | 0.771 | S | S | * | * | trans | -69.2 | 123.3 | 165.5 | -174 | 8.7 | 0 | 0 | 0 | 109.1 | ||||
| 314 | S | 47.2 | Very low | 50.8 | Low | 116 Ų | 116 | 147.4 Ų | 147.4 | 81% | 0.811 | 77% | 0.772 | S | S | * | * | trans | -154.5 | 88.4 | 164.1 | -92.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 315 | T | 47 | Very low | 51 | Low | 113 Ų | 113 | 143.8 Ų | 143.8 | 69% | 0.693 | 77% | 0.768 | S | S | * | * | trans | -16 | 120.8 | 131.9 | -82.3 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 316 | T | 47.3 | Very low | 50.8 | Low | 119 Ų | 119 | 145.4 Ų | 145.4 | 73% | 0.73 | 77% | 0.774 | S | S | * | * | 171.6 | 123.1 | 121.3 | 28.5 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 317 | L | 58.6 | Low | 50.7 | Low | 157 Ų | 157 | 145 Ų | 145 | 82% | 0.822 | 77% | 0.771 | S | S | * | * | trans | 79.3 | 159.4 | 149 | -54 | 168.9 | 0 | 0 | 0 | 120.2 | ||||
| 318 | P | 44.9 | Very low | 50.1 | Low | 113 Ų | 113 | 142.3 Ų | 142.3 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | -131.8 | 155 | -54.1 | 34.7 | -18.4 | 0 | 0 | 0 | 113.6 | |||||
| 319 | R | 39.3 | Very low | 48.9 | Very low | 217 Ų | 217 | 140.2 Ų | 140.2 | 82% | 0.819 | 79% | 0.786 | S | S | * | * | trans | -67.7 | 124.6 | 179.7 | 178.7 | 177.4 | -173.6 | 83.2 | -2 | 112.8 | ||||
| 320 | M | 52.9 | Low | 47.7 | Very low | 187 Ų | 187 | 143.9 Ų | 143.9 | 92% | 0.921 | 79% | 0.793 | S | S | * | * | trans | -90 | 131.3 | 161.5 | -61.2 | -156.8 | 179.7 | 0 | 0 | 110 | ||||
| 321 | K | 40.7 | Very low | 46.5 | Very low | 181 Ų | 181 | 142.1 Ų | 142.1 | 79% | 0.787 | 80% | 0.801 | S | S | * | * | trans | -104.1 | 127.3 | 171.2 | -71.6 | 172 | 166.9 | 177.6 | 0 | 107.5 | ||||
| 322 | S | 53.9 | Low | 45.8 | Very low | 122 Ų | 122 | 144.8 Ų | 144.8 | 85% | 0.853 | 81% | 0.814 | S | S | * | * | trans | -122 | 117.3 | 160 | -66.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 323 | S | 44 | Very low | 45.2 | Very low | 123 Ų | 123 | 141.4 Ų | 141.4 | 86% | 0.86 | 81% | 0.812 | S | S | * | * | trans | -65.9 | 136.7 | 168.1 | -71.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 324 | S | 45.4 | Very low | 45.3 | Very low | 115 Ų | 115 | 139.6 Ų | 139.6 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | trans | -133.1 | 108.3 | 149.7 | 52.8 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 325 | S | 41.1 | Very low | 45.5 | Very low | 115 Ų | 115 | 139.8 Ų | 139.8 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | trans | -76.7 | 119.6 | 169.7 | 45.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 326 | V | 47.2 | Very low | 45.8 | Very low | 141 Ų | 141 | 139.9 Ų | 139.9 | 86% | 0.855 | 81% | 0.808 | S | S | * | * | trans | -132.4 | 119.7 | 152.9 | -70.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 327 | T | 41.5 | Very low | 46 | Very low | 125 Ų | 125 | 137 Ų | 137 | 77% | 0.767 | 79% | 0.793 | S | S | * | * | trans | -58.6 | 135.1 | 171.7 | 39 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 328 | T | 40.8 | Very low | 46.1 | Very low | 130 Ų | 130 | 134.6 Ų | 134.6 | 80% | 0.798 | 79% | 0.789 | S | S | * | * | 159.4 | 137.3 | 121.7 | 40.4 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 329 | S | 45.4 | Very low | 47.2 | Very low | 118 Ų | 118 | 132.5 Ų | 132.5 | 83% | 0.825 | 78% | 0.778 | S | S | * | * | trans | 88.3 | 101.7 | 164.2 | -29.4 | 0 | 0 | 0 | 0 | 117.2 | T331 | S329-T331 PolarHBondContact O-N 2.67Š| ||
| 330 | E | 36.4 | Very low | 49.1 | Very low | 199 Ų | 199 | 125.9 Ų | 125.9 | 93% | 0.93 | 76% | 0.758 | S | S | * | * | trans | -62.7 | 114.8 | 168.9 | -67 | 170.9 | 86.6 | 0 | 0 | 112 | ||||
| 331 | T | 46.2 | Very low | 50.3 | Low | 135 Ų | 135 | 124.1 Ų | 124.1 | 83% | 0.828 | 74% | 0.742 | S | S | * | * | trans | -148.2 | 122.3 | 146.9 | -43.7 | 0 | 0 | 0 | 0 | 107.7 | S329 | S329-T331 PolarHBondContact O-N 2.67Š| ||
| 332 | Q | 42.7 | Very low | 52.5 | Low | 169 Ų | 169 | 118.9 Ų | 118.9 | 79% | 0.79 | 73% | 0.729 | S | S | * | * | trans | -45.5 | 131.2 | -179.7 | -80.7 | 175.2 | -49.4 | 0 | 0 | 113.2 | C334 | Q332-C334 PolarHBondContact O-N 2.91Š| ||
| 333 | P | 48.4 | Very low | 54.1 | Low | 124 Ų | 124 | 117.1 Ų | 117.1 | 81% | 0.805 | 71% | 0.71 | S | S | * | * | trans | -80 | 101.4 | 155.6 | 26.3 | -18.4 | 0 | 0 | 0 | 108.1 | T335 | P333-T335 PolarHBondContact O-N 3Å; P333-T335 VanDerWaalsContact O-N 3.1Å | ||
| 334 | C | 40.4 | Very low | 56.2 | Low | 113 Ų | 113 | 116.8 Ų | 116.8 | 76% | 0.764 | 70% | 0.698 | S | S | * | * | trans | -58.5 | 112.6 | 171 | -65.8 | 0 | 0 | 0 | 0 | 109.6 | Q332 | Q332-C334 PolarHBondContact O-N 2.91Š| ||
| 335 | T | 51 | Low | 58.2 | Low | 120 Ų | 120 | 115 Ų | 115 | 74% | 0.736 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 128.7 | 163.8 | 47.9 | 0 | 0 | 0 | 0 | 108.6 | P333 S337 | P333-T335 PolarHBondContact O-N 3Å; P333-T335 VanDerWaalsContact O-N 3.1Å; T335-S337 PolarHBondContact O-N 3.33Å; T335-S337 VanDerWaalsContact O-N 3.11Å |
| 336 | P | 53.1 | Low | 60.6 | Low | 114 Ų | 114 | 118.5 Ų | 118.5 | 74% | 0.74 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 121.7 | 174.2 | 24.8 | -31.9 | 0 | 0 | 0 | 107.9 | ||
| 337 | S | 51.4 | Low | 62.8 | Low | 59 Ų | 59 | 116 Ų | 116 | 41% | 0.413 | 66% | 0.657 | S | S | . | * | P | Polyproline II helix | trans | -71.2 | 155.1 | -178.1 | 77.9 | 0 | 0 | 0 | 0 | 108.8 | T335 S339 D340 | T335-S337 PolarHBondContact O-N 3.33Å; T335-S337 VanDerWaalsContact O-N 3.11Å; S337-S339 PolarHBondContact O-N 3.47Å; S337-S339 WeakPolarHBondContact OG-CB 3.46Å; S337-S339 PolarHBondContact OG-N 2.9Å; S337-D340 PolarHBondContact N-OD2 2.91Å; S337-D340 PolarHBondContact O-N 3.42Å; S337-D340 PolarHBondContact OG-OD2 3.4Å |
| 338 | S | 60.4 | Low | 65.2 | Low | 106 Ų | 106 | 115.6 Ų | 115.6 | 74% | 0.741 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -55.8 | -16.6 | 173.2 | -173.6 | 0 | 0 | 0 | 0 | 113.5 | S342 | S338-S342 PolarHBondContact O-OG 2.94Å |
| 339 | S | 69.1 | Low | 67.7 | Low | 70 Ų | 70 | 113.8 Ų | 113.8 | 49% | 0.49 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -67.1 | -46.1 | 174 | -162.2 | 0 | 0 | 0 | 0 | 111.2 | S337 Y341 S342 D343 | S337-S339 PolarHBondContact O-N 3.47Å; S337-S339 WeakPolarHBondContact OG-CB 3.46Å; S337-S339 PolarHBondContact OG-N 2.9Å; S339-Y341 PolarHBondContact O-N 2.85Å; S339-S342 WeakPolarHBondContact O-CA 3.49Å; S339-S342 WeakPolarHBondContact O-CB 3.07Å; S339-S342 PolarHBondContact O-N 2.93Å; S339-D343 PolarHBondContact O-N 3.33Å; S339-D343 VanDerWaalsContact O-OD2 3.13Å |
| 340 | D | 79.7 | Confident | 69.9 | Low | 77 Ų | 77 | 114.2 Ų | 114.2 | 41% | 0.412 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -60.5 | -34.1 | -175.7 | -59 | -69.3 | 0 | 0 | 0 | 111.9 | S337 L344 | S337-D340 PolarHBondContact N-OD2 2.91Å; S337-D340 PolarHBondContact O-N 3.42Å; S337-D340 PolarHBondContact OG-OD2 3.4Å; D340-L344 WeakPolarHBondContact O-CB 3.46Å; D340-L344 WeakPolarHBondContact O-CD1 3.29Å; D340-L344 VanDerWaalsContact O-CG 3.23Å; D340-L344 WeakPolarHBondContact O-CG 3.33Å; D340-L344 PolarHBondContact O-N 3.43Å |
| 341 | Y | 76.8 | Confident | 72.7 | Confident | 150 Ų | 150 | 110.2 Ų | 110.2 | 59% | 0.588 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -68.5 | -37.3 | 175 | -168.2 | -91.8 | 0 | 0 | 0 | 112.6 | S339 L344 Q345 | S339-Y341 PolarHBondContact O-N 2.85Å; Y341-L344 PolarHBondContact O-N 3.48Å; Y341-Q345 HydrophobicContact CD1-CG 3.92Å; Y341-Q345 HydrophobicContact CE1-CG 3.61Å; Y341-Q345 WeakPolarHBondContact O-CB 3.46Å; Y341-Q345 VanDerWaalsContact O-CG 3.29Å; Y341-Q345 WeakPolarHBondContact O-CG 3.3Å; Y341-Q345 PolarHBondContact O-N 2.97Å; Y341-Q345 PolarHBondContact OH-NE2 2.83Å |
| 342 | S | 86.6 | Confident | 74.9 | Confident | 71 Ų | 71 | 107.5 Ų | 107.5 | 50% | 0.497 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -69.3 | -40.1 | 178.1 | -56.7 | 0 | 0 | 0 | 0 | 110.9 | S338 S339 Q345 R346 | S338-S342 PolarHBondContact O-OG 2.94Å; S339-S342 WeakPolarHBondContact O-CA 3.49Å; S339-S342 WeakPolarHBondContact O-CB 3.07Å; S339-S342 PolarHBondContact O-N 2.93Å; S342-Q345 PolarHBondContact O-N 3.4Å; S342-R346 WeakPolarHBondContact O-CB 3.47Å; S342-R346 PolarHBondContact O-N 3.24Å |
| 343 | D | 88.5 | Confident | 77.4 | Confident | 85 Ų | 85 | 104.6 Ų | 104.6 | 46% | 0.455 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -63.5 | -44.9 | 173.8 | -66.3 | -49 | 0 | 0 | 0 | 111.1 | S339 Q345 R346 V347 | S339-D343 PolarHBondContact O-N 3.33Å; S339-D343 VanDerWaalsContact O-OD2 3.13Å; D343-Q345 VanDerWaalsContact C-N 3.34Å; D343-Q345 PolarHBondContact O-N 3.2Å; D343-R346 PolarHBondContact O-N 3.48Å; D343-V347 VanDerWaalsContact O-CG2 3.31Å; D343-V347 WeakPolarHBondContact O-CG2 3.31Å; D343-V347 PolarHBondContact O-N 3.47Å |
| 344 | L | 88.1 | Confident | 79.5 | Confident | 117 Ų | 117 | 102.8 Ų | 102.8 | 61% | 0.613 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -61.2 | -39.3 | 174.5 | -76.1 | 167.4 | 0 | 0 | 0 | 112.8 | D340 Y341 K348 | D340-L344 WeakPolarHBondContact O-CB 3.46Å; D340-L344 WeakPolarHBondContact O-CD1 3.29Å; D340-L344 VanDerWaalsContact O-CG 3.23Å; D340-L344 WeakPolarHBondContact O-CG 3.33Å; D340-L344 PolarHBondContact O-N 3.43Å; Y341-L344 PolarHBondContact O-N 3.48Å; L344-K348 VanDerWaalsContact O-CB 3.3Å; L344-K348 WeakPolarHBondContact O-CB 3.38Å; L344-K348 PolarHBondContact O-N 3.13Å |
| 345 | Q | 87 | Confident | 82.2 | Confident | 78 Ų | 78 | 101.3 Ų | 101.3 | 36% | 0.364 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -67.6 | -39.2 | 175.5 | -74.2 | -71.3 | -10.9 | 0 | 0 | 111.8 | Y341 S342 D343 K348 Q349 | Y341-Q345 HydrophobicContact CD1-CG 3.92Å; Y341-Q345 HydrophobicContact CE1-CG 3.61Å; Y341-Q345 WeakPolarHBondContact O-CB 3.46Å; Y341-Q345 VanDerWaalsContact O-CG 3.29Å; Y341-Q345 WeakPolarHBondContact O-CG 3.3Å; Y341-Q345 PolarHBondContact O-N 2.97Å; Y341-Q345 PolarHBondContact OH-NE2 2.83Å; S342-Q345 PolarHBondContact O-N 3.4Å; D343-Q345 VanDerWaalsContact C-N 3.34Å; D343-Q345 PolarHBondContact O-N 3.2Å; Q345-K348 PolarHBondContact O-N 2.96Å; Q345-Q349 WeakPolarHBondContact O-CB 3.49Å; Q345-Q349 PolarHBondContact O-N 2.97Å |
| 346 | R | 91.5 | Very high | 84.2 | Confident | 188 Ų | 188 | 102.3 Ų | 102.3 | 71% | 0.709 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62.8 | -47.7 | 173.8 | 179.6 | 175.4 | -79.4 | -138.6 | -2.2 | 111.3 | S342 D343 K348 Q349 E350 | S342-R346 WeakPolarHBondContact O-CB 3.47Å; S342-R346 PolarHBondContact O-N 3.24Å; D343-R346 PolarHBondContact O-N 3.48Å; R346-K348 VanDerWaalsContact C-N 3.33Å; R346-K348 PolarHBondContact O-N 3.49Å; R346-Q349 WeakPolarHBondContact O-CB 3.46Å; R346-Q349 PolarHBondContact O-N 3.48Å; R346-Q349 VanDerWaalsContact O-N 3.13Å; R346-E350 PolarHBondContact O-N 2.96Å |
| 347 | V | 93.3 | Very high | 86.3 | Confident | 87 Ų | 87 | 102.9 Ų | 102.9 | 53% | 0.527 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.7 | -40.4 | 176.9 | 171.6 | 0 | 0 | 0 | 0 | 111.4 | D343 Q349 E350 L351 | D343-V347 VanDerWaalsContact O-CG2 3.31Å; D343-V347 WeakPolarHBondContact O-CG2 3.31Å; D343-V347 PolarHBondContact O-N 3.47Å; V347-Q349 VanDerWaalsContact C-N 3.33Å; V347-Q349 PolarHBondContact O-N 2.91Å; V347-E350 PolarHBondContact O-N 2.99Å; V347-L351 VanDerWaalsContact O-CB 3.3Å; V347-L351 WeakPolarHBondContact O-CB 3.32Å; V347-L351 PolarHBondContact O-N 2.67Å |
| 348 | K | 91.8 | Very high | 88.3 | Confident | 117 Ų | 117 | 104 Ų | 104 | 51% | 0.509 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.3 | -42.4 | 174.1 | 179 | -171.1 | 170.1 | -168.4 | 0 | 111.6 | L344 Q345 R346 L351 L352 | L344-K348 VanDerWaalsContact O-CB 3.3Å; L344-K348 WeakPolarHBondContact O-CB 3.38Å; L344-K348 PolarHBondContact O-N 3.13Å; Q345-K348 PolarHBondContact O-N 2.96Å; R346-K348 VanDerWaalsContact C-N 3.33Å; R346-K348 PolarHBondContact O-N 3.49Å; K348-L351 PolarHBondContact O-N 2.91Å; K348-L352 HydrophobicContact CG-CD1 4.18Å; K348-L352 WeakPolarHBondContact O-CB 3.3Å; K348-L352 WeakPolarHBondContact O-CG 3.44Å; K348-L352 PolarHBondContact O-N 3.5Å |
| 349 | Q | 93.8 | Very high | 90 | Very high | 93 Ų | 93 | 104.8 Ų | 104.8 | 44% | 0.435 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.8 | -46.2 | 179.8 | -175.9 | 60.4 | 36.4 | 0 | 0 | 111.2 | Q345 R346 V347 L351 L352 E353 | Q345-Q349 WeakPolarHBondContact O-CB 3.49Å; Q345-Q349 PolarHBondContact O-N 2.97Å; R346-Q349 WeakPolarHBondContact O-CB 3.46Å; R346-Q349 PolarHBondContact O-N 3.48Å; R346-Q349 VanDerWaalsContact O-N 3.13Å; V347-Q349 VanDerWaalsContact C-N 3.33Å; V347-Q349 PolarHBondContact O-N 2.91Å; Q349-L351 VanDerWaalsContact C-N 3.33Å; Q349-L351 PolarHBondContact O-N 2.9Å; Q349-L352 PolarHBondContact O-N 3.44Å; Q349-E353 PolarHBondContact NE2-OE1 3.47Å; Q349-E353 WeakPolarHBondContact O-CG 3.39Å; Q349-E353 PolarHBondContact O-N 3.5Å |
| 350 | E | 92 | Very high | 91.3 | Very high | 127 Ų | 127 | 105.4 Ų | 105.4 | 59% | 0.593 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -58.3 | -44.1 | 174.5 | -173.2 | -177.6 | 168.4 | 0 | 0 | 111.4 | R346 V347 L352 E353 E354 | R346-E350 PolarHBondContact O-N 2.96Å; V347-E350 PolarHBondContact O-N 2.99Å; E350-L352 PolarHBondContact O-N 3.43Å; E350-E353 PolarHBondContact O-N 2.9Å; E350-E354 PolarHBondContact O-N 3.27Å |
| 351 | L | 93.9 | Very high | 92 | Very high | 114 Ų | 114 | 106.4 Ų | 106.4 | 60% | 0.597 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.7 | -40.4 | 176.9 | -174.7 | 65.3 | 0 | 0 | 0 | 112.3 | V347 K348 Q349 E353 E354 V355 | V347-L351 VanDerWaalsContact O-CB 3.3Å; V347-L351 WeakPolarHBondContact O-CB 3.32Å; V347-L351 PolarHBondContact O-N 2.67Å; K348-L351 PolarHBondContact O-N 2.91Å; Q349-L351 VanDerWaalsContact C-N 3.33Å; Q349-L351 PolarHBondContact O-N 2.9Å; L351-E353 VanDerWaalsContact C-N 3.3Å; L351-E353 PolarHBondContact O-N 2.82Å; L351-E354 PolarHBondContact O-N 2.94Å; L351-V355 WeakPolarHBondContact O-CB 3.27Å; L351-V355 WeakPolarHBondContact O-CG2 3.43Å; L351-V355 PolarHBondContact O-N 3.21Å |
| 352 | L | 94.5 | Very high | 93 | Very high | 78 Ų | 78 | 102.2 Ų | 102.2 | 41% | 0.408 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.9 | -34.9 | 176.1 | -77.7 | 170 | 0 | 0 | 0 | 112 | K348 Q349 E350 K356 | K348-L352 HydrophobicContact CG-CD1 4.18Å; K348-L352 WeakPolarHBondContact O-CB 3.3Å; K348-L352 WeakPolarHBondContact O-CG 3.44Å; K348-L352 PolarHBondContact O-N 3.5Å; Q349-L352 PolarHBondContact O-N 3.44Å; E350-L352 PolarHBondContact O-N 3.43Å; L352-K356 WeakPolarHBondContact O-CB 3.46Å; L352-K356 VanDerWaalsContact O-CG 3.27Å; L352-K356 WeakPolarHBondContact O-CG 3.21Å; L352-K356 PolarHBondContact O-N 3.03Å |
| 353 | E | 94.5 | Very high | 93.5 | Very high | 108 Ų | 108 | 104.2 Ų | 104.2 | 51% | 0.505 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -68.8 | -44.8 | 175.1 | -74.8 | 171.7 | -168.2 | 0 | 0 | 111.3 | Q349 E350 L351 K356 K357 | Q349-E353 PolarHBondContact NE2-OE1 3.47Å; Q349-E353 WeakPolarHBondContact O-CG 3.39Å; Q349-E353 PolarHBondContact O-N 3.5Å; E350-E353 PolarHBondContact O-N 2.9Å; L351-E353 VanDerWaalsContact C-N 3.3Å; L351-E353 PolarHBondContact O-N 2.82Å; E353-K356 PolarHBondContact O-N 3.45Å; E353-K357 WeakPolarHBondContact O-CB 3.22Å; E353-K357 PolarHBondContact O-N 3.25Å |
| 354 | E | 92.9 | Very high | 93.8 | Very high | 86 Ų | 86 | 104.8 Ų | 104.8 | 40% | 0.402 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.9 | -40.4 | 177.1 | -160.8 | 63.8 | -138.7 | 0 | 0 | 111.5 | E350 L351 K356 K357 E358 | E350-E354 PolarHBondContact O-N 3.27Å; L351-E354 PolarHBondContact O-N 2.94Å; E354-K356 PolarHBondContact O-N 3.45Å; E354-K357 PolarHBondContact O-N 3.25Å; E354-K357 IonicContact OE1-NZ 3.05Å; E354-K357 PolarHBondContact OE1-NZ 2.92Å; E354-K357 IonicContact OE2-NZ 3.39Å; E354-K357 PolarHBondContact OE2-NZ 2.86Å; E354-E358 WeakPolarHBondContact O-CB 3.38Å; E354-E358 PolarHBondContact O-N 2.83Å |
| 355 | V | 95.5 | Very high | 94.1 | Very high | 82 Ų | 82 | 104.3 Ų | 104.3 | 50% | 0.497 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63 | -41.2 | 174.5 | 169 | 0 | 0 | 0 | 0 | 111.4 | L351 K357 L359 | L351-V355 WeakPolarHBondContact O-CB 3.27Å; L351-V355 WeakPolarHBondContact O-CG2 3.43Å; L351-V355 PolarHBondContact O-N 3.21Å; V355-K357 VanDerWaalsContact C-N 3.34Å; V355-L359 WeakPolarHBondContact O-CB 3.32Å; V355-L359 PolarHBondContact O-N 2.92Å |
| 356 | K | 94.6 | Very high | 94.5 | Very high | 142 Ų | 142 | 105.8 Ų | 105.8 | 62% | 0.617 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.9 | -41.1 | 175.5 | -79.9 | 174.6 | -178.5 | 174 | 0 | 111.6 | L352 E353 E354 L359 Q360 | L352-K356 WeakPolarHBondContact O-CB 3.46Å; L352-K356 VanDerWaalsContact O-CG 3.27Å; L352-K356 WeakPolarHBondContact O-CG 3.21Å; L352-K356 PolarHBondContact O-N 3.03Å; E353-K356 PolarHBondContact O-N 3.45Å; E354-K356 PolarHBondContact O-N 3.45Å; K356-L359 PolarHBondContact O-N 2.96Å; K356-Q360 WeakPolarHBondContact O-CB 3.37Å; K356-Q360 PolarHBondContact O-N 2.83Å |
| 357 | K | 96.3 | Very high | 94.6 | Very high | 125 Ų | 125 | 101 Ų | 101 | 54% | 0.543 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.7 | -46.4 | 178.1 | 178.8 | 178.5 | 154.9 | -137.6 | 0 | 111.7 | E353 E354 V355 Q360 K361 | E353-K357 WeakPolarHBondContact O-CB 3.22Å; E353-K357 PolarHBondContact O-N 3.25Å; E354-K357 PolarHBondContact O-N 3.25Å; E354-K357 IonicContact OE1-NZ 3.05Å; E354-K357 PolarHBondContact OE1-NZ 2.92Å; E354-K357 IonicContact OE2-NZ 3.39Å; E354-K357 PolarHBondContact OE2-NZ 2.86Å; V355-K357 VanDerWaalsContact C-N 3.34Å; K357-Q360 PolarHBondContact O-N 3.45Å; K357-K361 WeakPolarHBondContact O-CB 3.33Å; K357-K361 PolarHBondContact O-N 3.19Å |
| 358 | E | 94.4 | Very high | 94.7 | Very high | 84 Ų | 84 | 102.4 Ų | 102.4 | 39% | 0.393 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65 | -38.9 | 174.6 | -81.4 | -69.8 | 129.1 | 0 | 0 | 111.8 | E354 Q360 K361 V362 | E354-E358 WeakPolarHBondContact O-CB 3.38Å; E354-E358 PolarHBondContact O-N 2.83Å; E358-Q360 VanDerWaalsContact C-N 3.33Å; E358-Q360 PolarHBondContact O-N 3.3Å; E358-K361 WeakPolarHBondContact O-CB 3.45Å; E358-K361 PolarHBondContact O-N 2.9Å; E358-K361 IonicContact OE1-NZ 2.84Å; E358-V362 WeakPolarHBondContact O-CG2 3.49Å; E358-V362 PolarHBondContact O-N 3.11Å |
| 359 | L | 96.1 | Very high | 94.7 | Very high | 121 Ų | 121 | 99.6 Ų | 99.6 | 63% | 0.634 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -63.8 | -39.8 | 175.2 | -174.5 | 65.6 | 0 | 0 | 0 | 111.8 | V355 K356 K363 | V355-L359 WeakPolarHBondContact O-CB 3.32Å; V355-L359 PolarHBondContact O-N 2.92Å; K356-L359 PolarHBondContact O-N 2.96Å; L359-K363 WeakPolarHBondContact O-CB 3.46Å; L359-K363 PolarHBondContact O-N 3.31Å |
| 360 | Q | 94.5 | Very high | 94.7 | Very high | 84 Ų | 84 | 101.5 Ų | 101.5 | 39% | 0.393 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -67 | -40.3 | 176 | -176.3 | 63.3 | 23.4 | 0 | 0 | 111.3 | K356 K357 E358 K363 E364 | K356-Q360 WeakPolarHBondContact O-CB 3.37Å; K356-Q360 PolarHBondContact O-N 2.83Å; K357-Q360 PolarHBondContact O-N 3.45Å; E358-Q360 VanDerWaalsContact C-N 3.33Å; E358-Q360 PolarHBondContact O-N 3.3Å; Q360-K363 WeakPolarHBondContact O-CB 3.41Å; Q360-K363 PolarHBondContact O-N 2.94Å; Q360-E364 PolarHBondContact NE2-OE1 3.02Å; Q360-E364 WeakPolarHBondContact O-CG 3.34Å; Q360-E364 PolarHBondContact O-N 3.38Å |
| 361 | K | 96.2 | Very high | 94.7 | Very high | 97 Ų | 97 | 97.8 Ų | 97.8 | 42% | 0.422 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.7 | -47.8 | 173.3 | -178 | -175 | 171.6 | -166.9 | 0 | 112.1 | K357 E358 K363 E364 E365 | K357-K361 WeakPolarHBondContact O-CB 3.33Å; K357-K361 PolarHBondContact O-N 3.19Å; E358-K361 WeakPolarHBondContact O-CB 3.45Å; E358-K361 PolarHBondContact O-N 2.9Å; E358-K361 IonicContact OE1-NZ 2.84Å; K361-K363 VanDerWaalsContact C-N 3.28Å; K361-K363 PolarHBondContact O-N 3.37Å; K361-E364 PolarHBondContact O-N 2.85Å; K361-E364 VanDerWaalsContact O-N 3.11Å; K361-E365 WeakPolarHBondContact CE-OE1 3.38Å; K361-E365 PolarHBondContact O-N 2.89Å |
| 362 | V | 96.9 | Very high | 94.6 | Very high | 62 Ų | 62 | 98.4 Ų | 98.4 | 38% | 0.376 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.2 | -39.1 | 176 | 171 | 0 | 0 | 0 | 0 | 111 | E358 E364 E365 I366 | E358-V362 WeakPolarHBondContact O-CG2 3.49Å; E358-V362 PolarHBondContact O-N 3.11Å; V362-E364 VanDerWaalsContact C-N 3.34Å; V362-E364 PolarHBondContact O-N 3.28Å; V362-E365 PolarHBondContact O-N 2.94Å; V362-I366 HydrophobicContact CG1-CD1 3.81Å; V362-I366 HydrophobicContact CG1-CG1 4.39Å; V362-I366 WeakPolarHBondContact O-CB 3.49Å; V362-I366 VanDerWaalsContact O-CG1 3.25Å; V362-I366 WeakPolarHBondContact O-CG1 3.25Å; V362-I366 PolarHBondContact O-N 2.83Å |
| 363 | K | 96.5 | Very high | 94.4 | Very high | 113 Ų | 113 | 98.4 Ų | 98.4 | 49% | 0.491 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -60.6 | -43.3 | 174 | 175.6 | -171.5 | 168 | -171.8 | 0 | 111.4 | L359 Q360 K361 I366 I367 | L359-K363 WeakPolarHBondContact O-CB 3.46Å; L359-K363 PolarHBondContact O-N 3.31Å; Q360-K363 WeakPolarHBondContact O-CB 3.41Å; Q360-K363 PolarHBondContact O-N 2.94Å; K361-K363 VanDerWaalsContact C-N 3.28Å; K361-K363 PolarHBondContact O-N 3.37Å; K363-I366 PolarHBondContact O-N 3.42Å; K363-I367 HydrophobicContact CG-CD1 3.96Å; K363-I367 WeakPolarHBondContact O-CD1 3.27Å; K363-I367 VanDerWaalsContact O-CG1 3.23Å; K363-I367 WeakPolarHBondContact O-CG1 3.41Å; K363-I367 PolarHBondContact O-N 3.49Å |
| 364 | E | 96.2 | Very high | 94.1 | Very high | 97 Ų | 97 | 97.9 Ų | 97.9 | 45% | 0.453 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.5 | -45.5 | 176.9 | -74.6 | 167.6 | -160.9 | 0 | 0 | 111.5 | Q360 K361 V362 I366 I367 E368 | Q360-E364 PolarHBondContact NE2-OE1 3.02Å; Q360-E364 WeakPolarHBondContact O-CG 3.34Å; Q360-E364 PolarHBondContact O-N 3.38Å; K361-E364 PolarHBondContact O-N 2.85Å; K361-E364 VanDerWaalsContact O-N 3.11Å; V362-E364 VanDerWaalsContact C-N 3.34Å; V362-E364 PolarHBondContact O-N 3.28Å; E364-I366 VanDerWaalsContact C-N 3.34Å; E364-I366 PolarHBondContact O-N 3.18Å; E364-I367 PolarHBondContact O-N 3.04Å; E364-E368 WeakPolarHBondContact O-CB 3.42Å; E364-E368 WeakPolarHBondContact O-CG 3.48Å; E364-E368 PolarHBondContact O-N 3.49Å |
| 365 | E | 94.2 | Very high | 93.9 | Very high | 107 Ų | 107 | 102.2 Ų | 102.2 | 50% | 0.5 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59 | -41.3 | 175.2 | -73.4 | -178.5 | -170 | 0 | 0 | 112.4 | K361 V362 E368 A369 | K361-E365 WeakPolarHBondContact CE-OE1 3.38Å; K361-E365 PolarHBondContact O-N 2.89Å; V362-E365 PolarHBondContact O-N 2.94Å; E365-E368 PolarHBondContact O-N 2.91Å; E365-A369 WeakPolarHBondContact O-CB 3.23Å; E365-A369 PolarHBondContact O-N 3.43Å |
| 366 | I | 94.6 | Very high | 93.4 | Very high | 109 Ų | 109 | 106.1 Ų | 106.1 | 56% | 0.559 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -66 | -42.7 | 176.3 | -69.7 | 168.1 | 0 | 0 | 0 | 111.1 | V362 K363 E364 E368 A369 F370 | V362-I366 HydrophobicContact CG1-CD1 3.81Å; V362-I366 HydrophobicContact CG1-CG1 4.39Å; V362-I366 WeakPolarHBondContact O-CB 3.49Å; V362-I366 VanDerWaalsContact O-CG1 3.25Å; V362-I366 WeakPolarHBondContact O-CG1 3.25Å; V362-I366 PolarHBondContact O-N 2.83Å; K363-I366 PolarHBondContact O-N 3.42Å; E364-I366 VanDerWaalsContact C-N 3.34Å; E364-I366 PolarHBondContact O-N 3.18Å; I366-E368 VanDerWaalsContact C-N 3.34Å; I366-A369 PolarHBondContact O-N 3.26Å; I366-F370 WeakPolarHBondContact O-CB 3.45Å; I366-F370 PolarHBondContact O-N 3.42Å |
| 367 | I | 94.7 | Very high | 92.6 | Very high | 88 Ų | 88 | 108.6 Ų | 108.6 | 45% | 0.451 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.1 | -44.6 | 176.9 | -69.9 | 166 | 0 | 0 | 0 | 109.8 | K363 E364 A369 F370 V371 | K363-I367 HydrophobicContact CG-CD1 3.96Å; K363-I367 WeakPolarHBondContact O-CD1 3.27Å; K363-I367 VanDerWaalsContact O-CG1 3.23Å; K363-I367 WeakPolarHBondContact O-CG1 3.41Å; K363-I367 PolarHBondContact O-N 3.49Å; E364-I367 PolarHBondContact O-N 3.04Å; I367-A369 PolarHBondContact O-N 2.93Å; I367-F370 PolarHBondContact O-N 2.94Å; I367-V371 HydrophobicContact CG2-CG2 4.25Å; I367-V371 WeakPolarHBondContact O-CB 3.4Å; I367-V371 VanDerWaalsContact O-CG2 3.27Å; I367-V371 WeakPolarHBondContact O-CG2 3.5Å; I367-V371 PolarHBondContact O-N 3.45Å |
| 368 | E | 93.6 | Very high | 91.1 | Very high | 117 Ų | 117 | 105.7 Ų | 105.7 | 55% | 0.547 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.6 | -45.7 | 176.9 | -75.6 | -176.6 | -173.1 | 0 | 0 | 111.9 | E364 E365 I366 F370 V371 Q372 | E364-E368 WeakPolarHBondContact O-CB 3.42Å; E364-E368 WeakPolarHBondContact O-CG 3.48Å; E364-E368 PolarHBondContact O-N 3.49Å; E365-E368 PolarHBondContact O-N 2.91Å; I366-E368 VanDerWaalsContact C-N 3.34Å; E368-F370 VanDerWaalsContact C-N 3.33Å; E368-F370 PolarHBondContact O-N 3.41Å; E368-V371 PolarHBondContact O-N 3.34Å; E368-Q372 WeakPolarHBondContact O-CB 3.48Å; E368-Q372 VanDerWaalsContact O-CG 3.3Å; E368-Q372 WeakPolarHBondContact O-CG 3.34Å; E368-Q372 PolarHBondContact O-N 2.97Å |
| 369 | A | 92.6 | Very high | 89.2 | Confident | 57 Ų | 57 | 105.9 Ų | 105.9 | 47% | 0.471 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61 | -41.7 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | E365 I366 I367 Q372 E373 | E365-A369 WeakPolarHBondContact O-CB 3.23Å; E365-A369 PolarHBondContact O-N 3.43Å; I366-A369 PolarHBondContact O-N 3.26Å; I367-A369 PolarHBondContact O-N 2.93Å; A369-Q372 PolarHBondContact O-N 2.85Å; A369-E373 WeakPolarHBondContact O-CB 3.47Å; A369-E373 PolarHBondContact O-N 3.5Å |
| 370 | F | 93.5 | Very high | 87.1 | Confident | 134 Ų | 134 | 109.6 Ų | 109.6 | 59% | 0.588 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -67.8 | -41.5 | 177.7 | -169.3 | -106.1 | 0 | 0 | 0 | 112.2 | I366 I367 E368 Q372 E373 L374 | I366-F370 WeakPolarHBondContact O-CB 3.45Å; I366-F370 PolarHBondContact O-N 3.42Å; I367-F370 PolarHBondContact O-N 2.94Å; E368-F370 VanDerWaalsContact C-N 3.33Å; E368-F370 PolarHBondContact O-N 3.41Å; F370-Q372 VanDerWaalsContact C-N 3.34Å; F370-Q372 PolarHBondContact O-N 3.05Å; F370-E373 PolarHBondContact O-N 2.84Å; F370-L374 HydrophobicContact CD1-CD1 3.75Å; F370-L374 HydrophobicContact CD1-CG 4.17Å; F370-L374 HydrophobicContact CE1-CD1 3.41Å; F370-L374 VanDerWaalsContact CE1-CD1 3.41Å; F370-L374 HydrophobicContact CE1-CD2 4.37Å; F370-L374 HydrophobicContact CE1-CG 3.9Å; F370-L374 HydrophobicContact CZ-CD1 4.12Å; F370-L374 HydrophobicContact CZ-CD2 4.27Å; F370-L374 HydrophobicContact CZ-CG 4.2Å; F370-L374 WeakPolarHBondContact O-CB 3.3Å; F370-L374 WeakPolarHBondContact O-CG 3.44Å; F370-L374 PolarHBondContact O-N 3.3Å |
| 371 | V | 93 | Very high | 86.7 | Confident | 49 Ų | 49 | 110.9 Ų | 110.9 | 30% | 0.297 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -63.2 | -40.9 | 174.8 | 169.9 | 0 | 0 | 0 | 0 | 110.9 | I367 E368 R375 | I367-V371 HydrophobicContact CG2-CG2 4.25Å; I367-V371 WeakPolarHBondContact O-CB 3.4Å; I367-V371 VanDerWaalsContact O-CG2 3.27Å; I367-V371 WeakPolarHBondContact O-CG2 3.5Å; I367-V371 PolarHBondContact O-N 3.45Å; E368-V371 PolarHBondContact O-N 3.34Å; V371-R375 WeakPolarHBondContact O-CB 3.48Å; V371-R375 WeakPolarHBondContact O-CG 3.39Å; V371-R375 PolarHBondContact O-N 2.88Å |
| 372 | Q | 91.3 | Very high | 86.3 | Confident | 127 Ų | 127 | 111.6 Ų | 111.6 | 59% | 0.593 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -62.8 | -44.2 | 174.4 | -74.8 | 179.4 | 36.4 | 0 | 0 | 111.8 | E368 A369 F370 R375 K376 | E368-Q372 WeakPolarHBondContact O-CB 3.48Å; E368-Q372 VanDerWaalsContact O-CG 3.3Å; E368-Q372 WeakPolarHBondContact O-CG 3.34Å; E368-Q372 PolarHBondContact O-N 2.97Å; A369-Q372 PolarHBondContact O-N 2.85Å; F370-Q372 VanDerWaalsContact C-N 3.34Å; F370-Q372 PolarHBondContact O-N 3.05Å; Q372-R375 PolarHBondContact O-N 2.93Å; Q372-K376 WeakPolarHBondContact O-CB 3.42Å; Q372-K376 PolarHBondContact O-N 3.07Å |
| 373 | E | 89.4 | Confident | 85.7 | Confident | 77 Ų | 77 | 114.4 Ų | 114.4 | 36% | 0.36 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -65.9 | -40.7 | 178.1 | -175.1 | 63.2 | -161.2 | 0 | 0 | 111.9 | A369 F370 K376 R377 | A369-E373 WeakPolarHBondContact O-CB 3.47Å; A369-E373 PolarHBondContact O-N 3.5Å; F370-E373 PolarHBondContact O-N 2.84Å; E373-K376 PolarHBondContact O-N 3.45Å; E373-R377 PolarHBondContact O-N 2.93Å; E373-R377 IonicContact OE1-CZ 3.82Å; E373-R377 IonicContact OE1-NE 2.83Å; E373-R377 PolarHBondContact OE1-NE 3.42Å; E373-R377 IonicContact OE1-NH2 3.45Å; E373-R377 PolarHBondContact OE1-NH2 3.36Å |
| 374 | L | 89.6 | Confident | 85 | Confident | 97 Ų | 97 | 114.5 Ų | 114.5 | 51% | 0.508 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -63.2 | -41.4 | 173.9 | -75.1 | -179.4 | 0 | 0 | 0 | 112.2 | F370 K376 R377 G378 | F370-L374 HydrophobicContact CD1-CD1 3.75Å; F370-L374 HydrophobicContact CD1-CG 4.17Å; F370-L374 HydrophobicContact CE1-CD1 3.41Å; F370-L374 VanDerWaalsContact CE1-CD1 3.41Å; F370-L374 HydrophobicContact CE1-CD2 4.37Å; F370-L374 HydrophobicContact CE1-CG 3.9Å; F370-L374 HydrophobicContact CZ-CD1 4.12Å; F370-L374 HydrophobicContact CZ-CD2 4.27Å; F370-L374 HydrophobicContact CZ-CG 4.2Å; F370-L374 WeakPolarHBondContact O-CB 3.3Å; F370-L374 WeakPolarHBondContact O-CG 3.44Å; F370-L374 PolarHBondContact O-N 3.3Å; L374-K376 VanDerWaalsContact C-N 3.34Å; L374-R377 PolarHBondContact O-N 3.5Å; L374-G378 PolarHBondContact O-N 2.87Å |
| 375 | R | 88.6 | Confident | 84.3 | Confident | 178 Ų | 178 | 115.6 Ų | 115.6 | 67% | 0.672 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -63.7 | -39.8 | 174.5 | -76.6 | 176.5 | -178.8 | 151.8 | 1.8 | 111.8 | V371 Q372 R377 G378 S379 | V371-R375 WeakPolarHBondContact O-CB 3.48Å; V371-R375 WeakPolarHBondContact O-CG 3.39Å; V371-R375 PolarHBondContact O-N 2.88Å; Q372-R375 PolarHBondContact O-N 2.93Å; R375-R377 VanDerWaalsContact C-N 3.32Å; R375-R377 PolarHBondContact O-N 3.39Å; R375-G378 PolarHBondContact O-N 3.28Å; R375-S379 PolarHBondContact O-N 3.34Å |
| 376 | K | 84.7 | Confident | 83.7 | Confident | 163 Ų | 163 | 116.1 Ų | 116.1 | 71% | 0.709 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -65.4 | -33.1 | 178.6 | -169.4 | 176.5 | 179 | -177.3 | 0 | 112.9 | Q372 E373 L374 | Q372-K376 WeakPolarHBondContact O-CB 3.42Å; Q372-K376 PolarHBondContact O-N 3.07Å; E373-K376 PolarHBondContact O-N 3.45Å; L374-K376 VanDerWaalsContact C-N 3.34Å |
| 377 | R | 78.4 | Confident | 82.9 | Confident | 195 Ų | 195 | 116.6 Ų | 116.6 | 74% | 0.736 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -88.1 | -19.2 | 176.6 | -65.7 | -173.1 | -173.1 | -157.1 | 0.3 | 114.2 | E373 L374 R375 | E373-R377 PolarHBondContact O-N 2.93Å; E373-R377 IonicContact OE1-CZ 3.82Å; E373-R377 IonicContact OE1-NE 2.83Å; E373-R377 PolarHBondContact OE1-NE 3.42Å; E373-R377 IonicContact OE1-NH2 3.45Å; E373-R377 PolarHBondContact OE1-NH2 3.36Å; L374-R377 PolarHBondContact O-N 3.5Å; R375-R377 VanDerWaalsContact C-N 3.32Å; R375-R377 PolarHBondContact O-N 3.39Å |
| 378 | G | 65.1 | Low | 82 | Confident | 63 Ų | 63 | 118.8 Ų | 118.8 | 65% | 0.649 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -90.7 | 1.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | L374 R375 | L374-G378 PolarHBondContact O-N 2.87Å; R375-G378 PolarHBondContact O-N 3.28Å |
| 379 | S | 53.7 | Low | 81 | Confident | 89 Ų | 89 | 119 Ų | 119 | 62% | 0.622 | 63% | 0.625 | S | S | * | * | trans | -83.2 | 126.5 | 168.1 | -74.3 | 0 | 0 | 0 | 0 | 109.7 | R375 | R375-S379 PolarHBondContact O-N 3.34Š| ||
| 380 | P | 52.3 | Low | 80 | Confident | 199 Ų | 199 | 124.6 Ų | 124.6 | 100% | 1.292 | 64% | 0.639 | S | S | * | * | trans | -64.4 | 0 | 175.5 | 28.6 | -34.8 | 0 | 0 | 0 | 113.1 |
Retrieved 380 of 380 residues in 820.7 ms
(Link to these results)