| 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 | 93.8 | Very high | 91.8 | Very high | 47 Ų | 47 | 59.9 Ų | 59.9 | 23% | 0.232 | 34% | 0.336 | C | S | . | . | 0 | 154.4 | 0 | 64.9 | -175.2 | -178.4 | 0 | 0 | 108.9 | I3 K16 V17 P19 I65 G66 P67 | M1-I3 HydrophobicContact CE-CG2 4.28Å; M1-K16 CarbonylContact O-C 3.56Å; M1-V17 HydrophobicContact CE-CG2 3.82Å; M1-V17 HydrophobicContact CG-CG2 3.85Å; M1-V17 PolarHBondContact N-O 2.83Å; M1-V17 PolarHBondContact O-N 3.16Å; M1-P19 HydrophobicContact CE-CB 4.34Å; M1-P19 HydrophobicContact CE-CG 4.19Å; M1-P19 HydrophobicContact CG-CG 4.42Å; M1-P19 HydrophobicContact SD-CG 3.85Å; M1-I65 HydrophobicContact CE-CG2 4.2Å; M1-I65 VanDerWaalsContact CE-O 3.29Å; M1-I65 WeakPolarHBondContact CE-O 3.37Å; M1-G66 VanDerWaalsContact SD-C 3.57Å; M1-P67 HydrophobicContact CB-CB 4.21Å; M1-P67 HydrophobicContact CB-CG 3.86Å; M1-P67 HydrophobicContact SD-CG 4.41Å | |||
| 2 | D | 94.8 | Very high | 91.9 | Very high | 83 Ų | 83 | 61.7 Ų | 61.7 | 44% | 0.444 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 135.6 | 177.2 | -61.4 | -23.6 | 0 | 0 | 0 | 109.4 | T14 L15 K16 P67 G68 | D2-T14 HydrophobicContact CB-CG2 3.8Å; D2-L15 WeakPolarHBondContact CA-O 3.39Å; D2-K16 WeakPolarHBondContact OD1-CB 3.38Å; D2-K16 WeakPolarHBondContact OD1-CG 3.29Å; D2-P67 CarbonylContact O-C 3.57Å; D2-P67 WeakPolarHBondContact O-CA 3.37Å; D2-G68 PolarHBondContact O-N 3.45Å |
| 3 | I | 96 | Very high | 92.1 | Very high | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 157.6 | 173.4 | 63.9 | 167.7 | 0 | 0 | 0 | 109.3 | M1 I5 T14 L15 V17 L26 I65 | M1-I3 HydrophobicContact CE-CG2 4.28Å; I3-I5 HydrophobicContact CD1-CD1 3.98Å; I3-I5 HydrophobicContact CG1-CD1 4.46Å; I3-T14 CarbonylContact O-C 3.56Å; I3-T14 WeakPolarHBondContact O-CA 3.36Å; I3-L15 HydrophobicContact CG1-CB 4.34Å; I3-L15 PolarHBondContact N-O 2.72Å; I3-L15 PolarHBondContact O-N 3.5Å; I3-V17 HydrophobicContact CB-CG2 4.47Å; I3-V17 HydrophobicContact CD1-CG1 3.94Å; I3-V17 HydrophobicContact CD1-CG2 4Å; I3-V17 HydrophobicContact CG1-CG1 4.08Å; I3-V17 HydrophobicContact CG1-CG2 3.92Å; I3-V17 HydrophobicContact CG2-CG2 3.79Å; I3-L26 HydrophobicContact CD1-CD1 3.88Å; I3-L26 HydrophobicContact CD1-CD2 3.96Å; I3-I65 HydrophobicContact CG2-CG2 3.87Å |
| 4 | V | 96.3 | Very high | 92.4 | Very high | 28 Ų | 28 | 67.8 Ų | 67.8 | 17% | 0.17 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 120.3 | -180 | -178.2 | 0 | 0 | 0 | 0 | 109.2 | T12 S69 Q70 V71 | V4-T12 HydrophobicContact CG1-CG2 4.1Å; V4-S69 PolarHBondContact N-O 2.8Å; V4-Q70 HydrophobicContact CB-CG 4.18Å; V4-Q70 CarbonylContact O-C 3.52Å; V4-Q70 WeakPolarHBondContact O-CA 3.29Å; V4-V71 PolarHBondContact O-N 2.83Å |
| 5 | I | 96.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 119.9 | 169.8 | -54.4 | -52.8 | 0 | 0 | 0 | 108.5 | I3 T12 R13 L15 L26 I30 L34 V71 L73 | I3-I5 HydrophobicContact CD1-CD1 3.98Å; I3-I5 HydrophobicContact CG1-CD1 4.46Å; I5-T12 CarbonylContact O-C 3.56Å; I5-T12 VanDerWaalsContact O-CA 3.26Å; I5-T12 WeakPolarHBondContact O-CA 3.45Å; I5-R13 PolarHBondContact N-O 3.32Å; I5-R13 PolarHBondContact O-N 3.11Å; I5-L15 HydrophobicContact CD1-CD1 4.36Å; I5-L15 HydrophobicContact CG1-CD1 3.59Å; I5-L15 HydrophobicContact CG1-CG 3.92Å; I5-L26 HydrophobicContact CD1-CD1 4.42Å; I5-I30 HydrophobicContact CD1-CD1 3.97Å; I5-I30 HydrophobicContact CG1-CD1 4.16Å; I5-I30 HydrophobicContact CG1-CG1 4.23Å; I5-I30 HydrophobicContact CG2-CD1 4.32Å; I5-L34 HydrophobicContact CG2-CD1 4.26Å; I5-V71 CarbonylContact C-O 3.51Å; I5-V71 WeakPolarHBondContact CA-O 3.39Å; I5-V71 HydrophobicContact CD1-CB 3.93Å; I5-V71 HydrophobicContact CD1-CG1 4.4Å; I5-L73 HydrophobicContact CG2-CB 3.77Å; I5-L73 HydrophobicContact CG2-CD2 4.21Å |
| 6 | K | 95 | Very high | 92.7 | Very high | 88 Ų | 88 | 68.6 Ų | 68.6 | 38% | 0.383 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 123.3 | 179.3 | -176.6 | 176.3 | -177.8 | 179.1 | 0 | 110.6 | T12 V71 S72 L73 | K6-T12 HydrophobicContact CB-CG2 4.18Å; K6-T12 HydrophobicContact CG-CG2 4.06Å; K6-V71 PolarHBondContact N-O 3.08Å; K6-S72 CarbonylContact O-C 3.55Å; K6-S72 WeakPolarHBondContact O-CA 3.25Å; K6-L73 PolarHBondContact O-N 2.89Å |
| 7 | M | 91.7 | Very high | 92.8 | Very high | 35 Ų | 35 | 64.8 Ų | 64.8 | 17% | 0.172 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 161 | 174.5 | -64.9 | -177.2 | -173.7 | 0 | 0 | 111.5 | N9 G10 T11 L34 L73 | M7-N9 VanDerWaalsContact C-N 3.25Å; M7-N9 WeakPolarHBondContact CB-OD1 3.32Å; M7-N9 PolarHBondContact O-N 3.04Å; M7-G10 PolarHBondContact O-N 3.23Å; M7-T11 PolarHBondContact N-O 2.74Å; M7-L34 HydrophobicContact CE-CB 3.95Å; M7-L34 HydrophobicContact CE-CD1 3.34Å; M7-L34 HydrophobicContact CE-CD2 3.62Å; M7-L34 HydrophobicContact CE-CG 3.8Å; M7-L73 HydrophobicContact CE-CD2 4.47Å; M7-L73 HydrophobicContact CG-CD2 4.43Å |
| 8 | L | 84.9 | Confident | 93 | Very high | 141 Ų | 141 | 66 Ų | 66 | 74% | 0.738 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -30.1 | 177.9 | -74.1 | 178.3 | 0 | 0 | 0 | 114.2 | G10 L74 | L8-G10 PolarHBondContact O-N 2.87Å; L8-L74 HydrophobicContact CD1-CD2 3.75Å; L8-L74 HydrophobicContact CD2-CD2 3.41Å; L8-L74 VanDerWaalsContact CD2-CD2 3.41Å; L8-L74 HydrophobicContact CG-CD2 3.65Å |
| 9 | N | 85.5 | Confident | 93 | Very high | 116 Ų | 116 | 65.2 Ų | 65.2 | 62% | 0.62 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | 3.3 | 175.8 | 68.4 | -8.1 | 0 | 0 | 0 | 113.1 | M7 T11 | M7-N9 VanDerWaalsContact C-N 3.25Å; M7-N9 WeakPolarHBondContact CB-OD1 3.32Å; M7-N9 PolarHBondContact O-N 3.04Å; N9-T11 VanDerWaalsContact C-N 3.3Å; N9-T11 PolarHBondContact ND2-OG1 3.36Å; N9-T11 VanDerWaalsContact ND2-OG1 3.13Å; N9-T11 PolarHBondContact O-N 3.12Å; N9-T11 VanDerWaalsContact OD1-CB 3.26Å; N9-T11 WeakPolarHBondContact OD1-CB 3.17Å; N9-T11 PolarHBondContact OD1-N 2.95Å; N9-T11 PolarHBondContact OD1-OG1 3.25Å; N9-T11 VanDerWaalsContact OD1-OG1 3.07Å |
| 10 | G | 84.8 | Confident | 93.2 | Very high | 47 Ų | 47 | 68.6 Ų | 68.6 | 49% | 0.485 | 36% | 0.364 | S | S | . | . | S | Bend | trans | 85.1 | -7.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | M7 L8 | M7-G10 PolarHBondContact O-N 3.23Å; L8-G10 PolarHBondContact O-N 2.87Å |
| 11 | T | 90.2 | Very high | 93.4 | Very high | 74 Ų | 74 | 67.2 Ų | 67.2 | 45% | 0.454 | 36% | 0.357 | S | S | . | . | trans | -65.9 | 138.6 | 175 | -51.8 | 0 | 0 | 0 | 0 | 110.4 | M7 N9 | M7-T11 PolarHBondContact N-O 2.74Å; N9-T11 VanDerWaalsContact C-N 3.3Å; N9-T11 PolarHBondContact ND2-OG1 3.36Å; N9-T11 VanDerWaalsContact ND2-OG1 3.13Å; N9-T11 PolarHBondContact O-N 3.12Å; N9-T11 VanDerWaalsContact OD1-CB 3.26Å; N9-T11 WeakPolarHBondContact OD1-CB 3.17Å; N9-T11 PolarHBondContact OD1-N 2.95Å; N9-T11 PolarHBondContact OD1-OG1 3.25Å; N9-T11 VanDerWaalsContact OD1-OG1 3.07Å | ||
| 12 | T | 93.4 | Very high | 93.6 | Very high | 81 Ų | 81 | 67.3 Ų | 67.3 | 50% | 0.497 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 148 | 176.3 | 58 | 0 | 0 | 0 | 0 | 111 | V4 I5 K6 | V4-T12 HydrophobicContact CG1-CG2 4.1Å; I5-T12 CarbonylContact O-C 3.56Å; I5-T12 VanDerWaalsContact O-CA 3.26Å; I5-T12 WeakPolarHBondContact O-CA 3.45Å; K6-T12 HydrophobicContact CB-CG2 4.18Å; K6-T12 HydrophobicContact CG-CG2 4.06Å |
| 13 | R | 95 | Very high | 93.7 | Very high | 123 Ų | 123 | 63.4 Ų | 63.4 | 46% | 0.464 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 127.2 | 175.3 | -173 | 71.6 | 169.8 | 176 | -2.1 | 109.4 | I5 L15 E33 L34 | I5-R13 PolarHBondContact N-O 3.32Å; I5-R13 PolarHBondContact O-N 3.11Å; R13-L15 HydrophobicContact CG-CD2 4.13Å; R13-E33 IonicContact CZ-OE2 3.79Å; R13-E33 IonicContact NE-OE2 3.71Å; R13-E33 IonicContact NH2-OE2 2.96Å; R13-E33 PolarHBondContact NH2-OE2 3.35Å; R13-L34 HydrophobicContact CB-CD2 4.14Å; R13-L34 HydrophobicContact CG-CD2 4Å |
| 14 | T | 95.8 | Very high | 93.7 | Very high | 86 Ų | 86 | 64.1 Ų | 64.1 | 53% | 0.528 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 127.4 | 173.8 | -55.3 | 0 | 0 | 0 | 0 | 109.8 | D2 I3 | D2-T14 HydrophobicContact CB-CG2 3.8Å; I3-T14 CarbonylContact O-C 3.56Å; I3-T14 WeakPolarHBondContact O-CA 3.36Å |
| 15 | L | 95.1 | Very high | 93.7 | Very high | 4 Ų | 4 | 64.9 Ų | 64.9 | 2% | 0.021 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 133.4 | 174.4 | -62.6 | -174.3 | 0 | 0 | 0 | 110 | D2 I3 I5 R13 V17 L26 I30 E33 | D2-L15 WeakPolarHBondContact CA-O 3.39Å; I3-L15 HydrophobicContact CG1-CB 4.34Å; I3-L15 PolarHBondContact N-O 2.72Å; I3-L15 PolarHBondContact O-N 3.5Å; I5-L15 HydrophobicContact CD1-CD1 4.36Å; I5-L15 HydrophobicContact CG1-CD1 3.59Å; I5-L15 HydrophobicContact CG1-CG 3.92Å; R13-L15 HydrophobicContact CG-CD2 4.13Å; L15-V17 HydrophobicContact CB-CG1 4.4Å; L15-L26 HydrophobicContact CD1-CD1 4.13Å; L15-I30 HydrophobicContact CD1-CG1 3.63Å; L15-E33 HydrophobicContact CD2-CB 4.14Å; L15-E33 HydrophobicContact CD2-CG 3.83Å |
| 16 | K | 95.2 | Very high | 93.7 | Very high | 144 Ų | 144 | 64.9 Ų | 64.9 | 63% | 0.626 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 121.2 | 171.4 | -173.5 | 169.5 | -175.8 | 175.2 | 0 | 109.1 | M1 D2 R29 | M1-K16 CarbonylContact O-C 3.56Å; D2-K16 WeakPolarHBondContact OD1-CB 3.38Å; D2-K16 WeakPolarHBondContact OD1-CG 3.29Å; K16-R29 PolarHBondContact O-NE 3.31Å; K16-R29 PolarHBondContact O-NH1 3.41Å; K16-R29 PolarHBondContact O-NH2 3.01Å; K16-R29 VanDerWaalsContact O-NH2 3.12Å |
| 17 | V | 94.6 | Very high | 93.8 | Very high | 5 Ų | 5 | 61.8 Ų | 61.8 | 3% | 0.03 | 34% | 0.34 | C | S | . | . | trans | -131.2 | 160.3 | -177.8 | -60.5 | 0 | 0 | 0 | 0 | 111.4 | M1 I3 L15 L26 L60 | M1-V17 HydrophobicContact CE-CG2 3.82Å; M1-V17 HydrophobicContact CG-CG2 3.85Å; M1-V17 PolarHBondContact N-O 2.83Å; M1-V17 PolarHBondContact O-N 3.16Å; I3-V17 HydrophobicContact CB-CG2 4.47Å; I3-V17 HydrophobicContact CD1-CG1 3.94Å; I3-V17 HydrophobicContact CD1-CG2 4Å; I3-V17 HydrophobicContact CG1-CG1 4.08Å; I3-V17 HydrophobicContact CG1-CG2 3.92Å; I3-V17 HydrophobicContact CG2-CG2 3.79Å; L15-V17 HydrophobicContact CB-CG1 4.4Å; V17-L26 HydrophobicContact CG1-CD1 4Å; V17-L60 HydrophobicContact CB-CD1 4.01Å; V17-L60 HydrophobicContact CG1-CD1 4.38Å; V17-L60 HydrophobicContact CG2-CD1 3.86Å | ||
| 18 | N | 95.6 | Very high | 93.9 | Very high | 86 Ų | 86 | 64.5 Ų | 64.5 | 46% | 0.46 | 35% | 0.353 | S | S | . | . | trans | -91.9 | 139.1 | 167.5 | -168.5 | -43.7 | 0 | 0 | 0 | 109.5 | Q20 D21 | N18-Q20 PolarHBondContact O-N 2.86Å; N18-Q20 VanDerWaalsContact O-N 3.08Å; N18-Q20 PolarHBondContact OD1-N 2.64Å; N18-D21 HydrophobicContact CB-CB 4.47Å; N18-D21 WeakPolarHBondContact CB-OD1 3.49Å; N18-D21 PolarHBondContact N-OD2 2.82Å; N18-D21 WeakPolarHBondContact O-CB 3.43Å; N18-D21 PolarHBondContact O-N 3.42Å | ||
| 19 | P | 93.8 | Very high | 94.4 | Very high | 51 Ų | 51 | 62.2 Ų | 62.2 | 33% | 0.331 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | -24.9 | 171.2 | -26.4 | 32.6 | 0 | 0 | 0 | 115.3 | M1 S61 | M1-P19 HydrophobicContact CE-CB 4.34Å; M1-P19 HydrophobicContact CE-CG 4.19Å; M1-P19 HydrophobicContact CG-CG 4.42Å; M1-P19 HydrophobicContact SD-CG 3.85Å; P19-S61 WeakPolarHBondContact O-CB 3.42Å; P19-S61 PolarHBondContact O-N 3.3Å; P19-S61 PolarHBondContact O-OG 3.22Å |
| 20 | Q | 95.9 | Very high | 94.9 | Very high | 132 Ų | 132 | 56.7 Ų | 56.7 | 62% | 0.617 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | -4.4 | 176.5 | -61.4 | -57.5 | -27.9 | 0 | 0 | 113.9 | N18 T22 | N18-Q20 PolarHBondContact O-N 2.86Å; N18-Q20 VanDerWaalsContact O-N 3.08Å; N18-Q20 PolarHBondContact OD1-N 2.64Å; Q20-T22 PolarHBondContact O-N 3.42Å |
| 21 | D | 96.7 | Very high | 95.3 | Very high | 41 Ų | 41 | 57.9 Ų | 57.9 | 22% | 0.219 | 30% | 0.298 | C | S | . | . | trans | -58 | 138.3 | 170.9 | -74.3 | -11.7 | 0 | 0 | 0 | 108.7 | N18 S25 P59 L60 | N18-D21 HydrophobicContact CB-CB 4.47Å; N18-D21 WeakPolarHBondContact CB-OD1 3.49Å; N18-D21 PolarHBondContact N-OD2 2.82Å; N18-D21 WeakPolarHBondContact O-CB 3.43Å; N18-D21 PolarHBondContact O-N 3.42Å; D21-S25 WeakPolarHBondContact CB-OG 3.26Å; D21-P59 CarbonylContact O-C 3.58Å; D21-P59 VanDerWaalsContact O-CA 3.32Å; D21-P59 WeakPolarHBondContact O-CA 3.48Å; D21-L60 HydrophobicContact CB-CD1 4.18Å; D21-L60 WeakPolarHBondContact O-CG 3.36Å; D21-L60 PolarHBondContact O-N 3.01Å | ||
| 22 | T | 97.9 | Very high | 95.4 | Very high | 49 Ų | 49 | 61.6 Ų | 61.6 | 30% | 0.301 | 31% | 0.31 | S | S | . | . | B | Isolated β-bridge | trans | -79.6 | 159.6 | 173.9 | 72.7 | 0 | 0 | 0 | 0 | 110.9 | Q20 G24 S25 L26 D56 S57 R58 | Q20-T22 PolarHBondContact O-N 3.42Å; T22-G24 PolarHBondContact O-N 3.21Å; T22-G24 PolarHBondContact OG1-N 3.07Å; T22-S25 PolarHBondContact N-OG 3.17Å; T22-S25 PolarHBondContact O-N 2.76Å; T22-S25 PolarHBondContact O-OG 3.3Å; T22-S25 PolarHBondContact OG1-N 2.85Å; T22-L26 PolarHBondContact O-N 2.87Å; T22-D56 WeakPolarHBondContact CB-O 3.34Å; T22-D56 PolarHBondContact OG1-O 2.75Å; T22-D56 VanDerWaalsContact OG1-O 3.11Å; T22-S57 WeakPolarHBondContact CG2-O 3.41Å; T22-R58 WeakPolarHBondContact CA-O 3.37Å |
| 23 | V | 97.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -55 | -39.3 | 172.2 | 172.9 | 0 | 0 | 0 | 0 | 111.2 | S25 L26 K27 L53 D55 R58 L60 Y63 | V23-S25 VanDerWaalsContact C-N 3.35Å; V23-S25 PolarHBondContact O-N 2.93Å; V23-L26 WeakPolarHBondContact O-CB 3.49Å; V23-L26 PolarHBondContact O-N 3.05Å; V23-K27 WeakPolarHBondContact O-CG 3.46Å; V23-K27 PolarHBondContact O-N 3.35Å; V23-L53 HydrophobicContact CG1-CB 3.78Å; V23-L53 WeakPolarHBondContact CG1-O 3.23Å; V23-L53 HydrophobicContact CG2-CB 3.92Å; V23-D55 WeakPolarHBondContact CB-O 3.36Å; V23-R58 PolarHBondContact N-O 3.01Å; V23-L60 HydrophobicContact CG2-CD2 4.27Å; V23-Y63 HydrophobicContact CG2-CD2 4.26Å; V23-Y63 HydrophobicContact CG2-CE2 3.63Å |
| 24 | G | 96.3 | Very high | 95.2 | Very high | 15 Ų | 15 | 58.6 Ų | 58.6 | 16% | 0.155 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.3 | -43.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | T22 L26 K27 M28 D56 | T22-G24 PolarHBondContact O-N 3.21Å; T22-G24 PolarHBondContact OG1-N 3.07Å; G24-L26 PolarHBondContact O-N 3.35Å; G24-K27 PolarHBondContact O-N 2.9Å; G24-M28 WeakPolarHBondContact O-CG 3.45Å; G24-M28 PolarHBondContact O-N 2.78Å; G24-D56 PolarHBondContact N-O 3.01Å |
| 25 | S | 96.8 | Very high | 94.9 | Very high | 44 Ų | 44 | 57.3 Ų | 57.3 | 31% | 0.308 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -67.2 | -35.9 | 177.6 | 74.2 | 0 | 0 | 0 | 0 | 112.7 | D21 T22 V23 M28 R29 | D21-S25 WeakPolarHBondContact CB-OG 3.26Å; T22-S25 PolarHBondContact N-OG 3.17Å; T22-S25 PolarHBondContact O-N 2.76Å; T22-S25 PolarHBondContact O-OG 3.3Å; T22-S25 PolarHBondContact OG1-N 2.85Å; V23-S25 VanDerWaalsContact C-N 3.35Å; V23-S25 PolarHBondContact O-N 2.93Å; S25-M28 PolarHBondContact O-N 3.36Å; S25-R29 PolarHBondContact O-N 3.32Å |
| 26 | L | 96.8 | Very high | 94.7 | Very high | 1 Ų | 1 | 57.8 Ų | 57.8 | 1% | 0.005 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62 | -44.6 | 171.2 | 174.2 | 58 | 0 | 0 | 0 | 111.4 | I3 I5 L15 V17 T22 V23 G24 M28 R29 I30 L43 L60 | I3-L26 HydrophobicContact CD1-CD1 3.88Å; I3-L26 HydrophobicContact CD1-CD2 3.96Å; I5-L26 HydrophobicContact CD1-CD1 4.42Å; L15-L26 HydrophobicContact CD1-CD1 4.13Å; V17-L26 HydrophobicContact CG1-CD1 4Å; T22-L26 PolarHBondContact O-N 2.87Å; V23-L26 WeakPolarHBondContact O-CB 3.49Å; V23-L26 PolarHBondContact O-N 3.05Å; G24-L26 PolarHBondContact O-N 3.35Å; L26-M28 VanDerWaalsContact C-N 3.33Å; L26-M28 PolarHBondContact O-N 2.84Å; L26-R29 WeakPolarHBondContact O-CB 3.37Å; L26-R29 PolarHBondContact O-N 2.74Å; L26-R29 VanDerWaalsContact O-N 3.12Å; L26-I30 HydrophobicContact CD1-CD1 4.09Å; L26-I30 HydrophobicContact CD1-CG1 4.23Å; L26-I30 HydrophobicContact CG-CD1 4.04Å; L26-I30 WeakPolarHBondContact O-CG1 3.36Å; L26-I30 PolarHBondContact O-N 3.4Å; L26-L43 HydrophobicContact CD2-CD1 3.93Å; L26-L43 HydrophobicContact CG-CD1 4.08Å; L26-L60 HydrophobicContact CB-CD1 4.5Å; L26-L60 HydrophobicContact CB-CD2 4.28Å; L26-L60 HydrophobicContact CD2-CD1 4.24Å; L26-L60 HydrophobicContact CD2-CD2 3.66Å |
| 27 | K | 95.8 | Very high | 94.4 | Very high | 23 Ų | 23 | 53.4 Ų | 53.4 | 10% | 0.1 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.2 | -43.2 | 176.9 | -72.9 | 176.5 | 176.9 | 170.1 | 0 | 112 | V23 G24 R29 I30 Q31 A38 Q41 L43 D56 | V23-K27 WeakPolarHBondContact O-CG 3.46Å; V23-K27 PolarHBondContact O-N 3.35Å; G24-K27 PolarHBondContact O-N 2.9Å; K27-R29 VanDerWaalsContact C-N 3.27Å; K27-R29 PolarHBondContact O-N 2.82Å; K27-I30 PolarHBondContact O-N 2.82Å; K27-Q31 PolarHBondContact O-N 2.89Å; K27-A38 HydrophobicContact CB-CB 4.01Å; K27-Q41 HydrophobicContact CG-CB 4.42Å; K27-Q41 PolarHBondContact O-NE2 3.3Å; K27-Q41 PolarHBondContact O-OE1 3.26Å; K27-L43 HydrophobicContact CG-CD1 3.79Å; K27-L43 HydrophobicContact CG-CG 4.4Å; K27-D56 WeakPolarHBondContact CE-OD1 3.29Å; K27-D56 IonicContact NZ-OD1 2.68Å; K27-D56 PolarHBondContact NZ-OD1 3.24Å; K27-D56 IonicContact NZ-OD2 3.42Å; K27-D56 PolarHBondContact NZ-OD2 3.47Å |
| 28 | M | 95.4 | Very high | 94.2 | Very high | 91 Ų | 91 | 54.3 Ų | 54.3 | 45% | 0.448 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -60.3 | -39.2 | 175 | -72.4 | -58.1 | -61 | 0 | 0 | 112.1 | G24 S25 L26 Q31 Q32 A38 | G24-M28 WeakPolarHBondContact O-CG 3.45Å; G24-M28 PolarHBondContact O-N 2.78Å; S25-M28 PolarHBondContact O-N 3.36Å; L26-M28 VanDerWaalsContact C-N 3.33Å; L26-M28 PolarHBondContact O-N 2.84Å; M28-Q31 WeakPolarHBondContact O-CB 3.43Å; M28-Q31 PolarHBondContact O-N 3.24Å; M28-Q32 WeakPolarHBondContact O-CG 3.48Å; M28-Q32 PolarHBondContact O-N 3.06Å; M28-A38 HydrophobicContact SD-CB 4.41Å |
| 29 | R | 95.5 | Very high | 93.8 | Very high | 93 Ų | 93 | 52.9 Ų | 52.9 | 35% | 0.351 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -67.9 | -40.9 | 177.2 | -160.8 | 166.4 | -170 | 152.6 | 0.2 | 112.7 | K16 S25 L26 K27 Q31 Q32 E33 | K16-R29 PolarHBondContact O-NE 3.31Å; K16-R29 PolarHBondContact O-NH1 3.41Å; K16-R29 PolarHBondContact O-NH2 3.01Å; K16-R29 VanDerWaalsContact O-NH2 3.12Å; S25-R29 PolarHBondContact O-N 3.32Å; L26-R29 WeakPolarHBondContact O-CB 3.37Å; L26-R29 PolarHBondContact O-N 2.74Å; L26-R29 VanDerWaalsContact O-N 3.12Å; K27-R29 VanDerWaalsContact C-N 3.27Å; K27-R29 PolarHBondContact O-N 2.82Å; R29-Q31 VanDerWaalsContact C-N 3.27Å; R29-Q31 PolarHBondContact O-N 3.09Å; R29-Q32 PolarHBondContact O-N 3.05Å; R29-E33 PolarHBondContact O-N 2.85Å |
| 30 | I | 94.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60.7 | -39.7 | 171.9 | -70.6 | 168.9 | 0 | 0 | 0 | 110.5 | I5 L15 L26 K27 Q32 E33 L34 Q41 L43 L73 | I5-I30 HydrophobicContact CD1-CD1 3.97Å; I5-I30 HydrophobicContact CG1-CD1 4.16Å; I5-I30 HydrophobicContact CG1-CG1 4.23Å; I5-I30 HydrophobicContact CG2-CD1 4.32Å; L15-I30 HydrophobicContact CD1-CG1 3.63Å; L26-I30 HydrophobicContact CD1-CD1 4.09Å; L26-I30 HydrophobicContact CD1-CG1 4.23Å; L26-I30 HydrophobicContact CG-CD1 4.04Å; L26-I30 WeakPolarHBondContact O-CG1 3.36Å; L26-I30 PolarHBondContact O-N 3.4Å; K27-I30 PolarHBondContact O-N 2.82Å; I30-Q32 VanDerWaalsContact C-N 3.35Å; I30-Q32 PolarHBondContact O-N 2.79Å; I30-E33 PolarHBondContact O-N 2.68Å; I30-L34 HydrophobicContact CG2-CB 4.42Å; I30-L34 HydrophobicContact CG2-CD1 3.92Å; I30-L34 WeakPolarHBondContact O-CA 3.43Å; I30-L34 VanDerWaalsContact O-CB 3.28Å; I30-L34 WeakPolarHBondContact O-CB 3.35Å; I30-L34 PolarHBondContact O-N 2.86Å; I30-Q41 VanDerWaalsContact CG2-CD 3.46Å; I30-Q41 HydrophobicContact CG2-CG 4.28Å; I30-L43 HydrophobicContact CD1-CD1 3.93Å; I30-L43 HydrophobicContact CD1-CD2 3.59Å; I30-L43 HydrophobicContact CD1-CG 4.41Å; I30-L73 HydrophobicContact CG2-CD2 3.76Å |
| 31 | Q | 94.1 | Very high | 93.4 | Very high | 73 Ų | 73 | 49.4 Ų | 49.4 | 34% | 0.341 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62.2 | -42.5 | 176.2 | 177.3 | 175.2 | -35.5 | 0 | 0 | 112 | K27 M28 R29 G35 V36 | K27-Q31 PolarHBondContact O-N 2.89Å; M28-Q31 WeakPolarHBondContact O-CB 3.43Å; M28-Q31 PolarHBondContact O-N 3.24Å; R29-Q31 VanDerWaalsContact C-N 3.27Å; R29-Q31 PolarHBondContact O-N 3.09Å; Q31-G35 WeakPolarHBondContact O-CA 3.47Å; Q31-G35 PolarHBondContact O-N 3.03Å; Q31-V36 WeakPolarHBondContact CA-O 3.36Å; Q31-V36 VanDerWaalsContact CB-O 3.23Å; Q31-V36 WeakPolarHBondContact CB-O 3.39Å |
| 32 | Q | 92.8 | Very high | 93.3 | Very high | 152 Ų | 152 | 54.3 Ų | 54.3 | 71% | 0.71 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -67.1 | -42.2 | 178.5 | -70.9 | 171.2 | -9.7 | 0 | 0 | 112.5 | M28 R29 I30 | M28-Q32 WeakPolarHBondContact O-CG 3.48Å; M28-Q32 PolarHBondContact O-N 3.06Å; R29-Q32 PolarHBondContact O-N 3.05Å; I30-Q32 VanDerWaalsContact C-N 3.35Å; I30-Q32 PolarHBondContact O-N 2.79Å |
| 33 | E | 92.3 | Very high | 93.2 | Very high | 94 Ų | 94 | 52.1 Ų | 52.1 | 44% | 0.439 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -85 | -32.5 | -174.3 | -73.2 | -78.6 | 161.7 | 0 | 0 | 113.8 | R13 L15 R29 I30 | R13-E33 IonicContact CZ-OE2 3.79Å; R13-E33 IonicContact NE-OE2 3.71Å; R13-E33 IonicContact NH2-OE2 2.96Å; R13-E33 PolarHBondContact NH2-OE2 3.35Å; L15-E33 HydrophobicContact CD2-CB 4.14Å; L15-E33 HydrophobicContact CD2-CG 3.83Å; R29-E33 PolarHBondContact O-N 2.85Å; I30-E33 PolarHBondContact O-N 2.68Å |
| 34 | L | 91.2 | Very high | 93.1 | Very high | 46 Ų | 46 | 53.2 Ų | 53.2 | 24% | 0.241 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -117.5 | -4.1 | -171.6 | -57.6 | 174.5 | 0 | 0 | 0 | 112.9 | I5 M7 R13 I30 V36 L73 | I5-L34 HydrophobicContact CG2-CD1 4.26Å; M7-L34 HydrophobicContact CE-CB 3.95Å; M7-L34 HydrophobicContact CE-CD1 3.34Å; M7-L34 HydrophobicContact CE-CD2 3.62Å; M7-L34 HydrophobicContact CE-CG 3.8Å; R13-L34 HydrophobicContact CB-CD2 4.14Å; R13-L34 HydrophobicContact CG-CD2 4Å; I30-L34 HydrophobicContact CG2-CB 4.42Å; I30-L34 HydrophobicContact CG2-CD1 3.92Å; I30-L34 WeakPolarHBondContact O-CA 3.43Å; I30-L34 VanDerWaalsContact O-CB 3.28Å; I30-L34 WeakPolarHBondContact O-CB 3.35Å; I30-L34 PolarHBondContact O-N 2.86Å; L34-V36 HydrophobicContact CB-CG2 4.35Å; L34-V36 PolarHBondContact O-N 2.71Å; L34-L73 HydrophobicContact CD1-CD2 4.22Å |
| 35 | G | 90 | Very high | 93.1 | Very high | 60 Ų | 60 | 52.9 Ų | 52.9 | 62% | 0.619 | 28% | 0.276 | S | S | * | . | trans | 69.1 | 9.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q31 P37 | Q31-G35 WeakPolarHBondContact O-CA 3.47Å; Q31-G35 PolarHBondContact O-N 3.03Å; G35-P37 WeakPolarHBondContact O-CD 3.38Å | ||
| 36 | V | 90.1 | Very high | 92.7 | Very high | 14 Ų | 14 | 54.3 Ų | 54.3 | 9% | 0.085 | 28% | 0.283 | C | S | . | . | trans | -88.9 | 116.3 | 179.7 | -175.7 | 0 | 0 | 0 | 0 | 109 | Q31 L34 A38 R40 Q41 I75 | Q31-V36 WeakPolarHBondContact CA-O 3.36Å; Q31-V36 VanDerWaalsContact CB-O 3.23Å; Q31-V36 WeakPolarHBondContact CB-O 3.39Å; L34-V36 HydrophobicContact CB-CG2 4.35Å; L34-V36 PolarHBondContact O-N 2.71Å; V36-A38 PolarHBondContact O-N 3.47Å; V36-R40 HydrophobicContact CG1-CB 4.22Å; V36-Q41 HydrophobicContact CB-CG 4.26Å; V36-Q41 HydrophobicContact CG1-CG 3.7Å; V36-Q41 PolarHBondContact O-NE2 2.88Å; V36-I75 HydrophobicContact CG1-CD1 4.43Å; V36-I75 HydrophobicContact CG1-CG1 4.13Å; V36-I75 HydrophobicContact CG1-CG2 4.3Å; V36-I75 HydrophobicContact CG2-CD1 3.94Å; V36-I75 HydrophobicContact CG2-CG1 4.4Å | ||
| 37 | P | 89.6 | Confident | 92.1 | Very high | 52 Ų | 52 | 59.8 Ų | 59.8 | 34% | 0.338 | 31% | 0.312 | S | S | . | . | trans | -57.2 | 139.4 | 178.8 | -25.4 | 34.3 | 0 | 0 | 0 | 112.5 | G35 A39 R40 Q41 | G35-P37 WeakPolarHBondContact O-CD 3.38Å; P37-A39 PolarHBondContact O-N 3.38Å; P37-A39 VanDerWaalsContact O-N 3.12Å; P37-R40 HydrophobicContact CB-CG 4.42Å; P37-R40 WeakPolarHBondContact O-CA 3.31Å; P37-R40 WeakPolarHBondContact O-CB 3.11Å; P37-R40 PolarHBondContact O-N 3.41Å; P37-Q41 WeakPolarHBondContact O-CG 3.4Å; P37-Q41 PolarHBondContact O-N 3.12Å | ||
| 38 | A | 89.9 | Confident | 91.5 | Very high | 24 Ų | 24 | 63 Ų | 63 | 20% | 0.198 | 35% | 0.352 | C | S | . | . | G | 310 helix | trans | -51 | -39.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | K27 M28 V36 R40 Q41 | K27-A38 HydrophobicContact CB-CB 4.01Å; M28-A38 HydrophobicContact SD-CB 4.41Å; V36-A38 PolarHBondContact O-N 3.47Å; A38-R40 PolarHBondContact O-N 3.39Å; A38-Q41 WeakPolarHBondContact O-CB 3.36Å; A38-Q41 PolarHBondContact O-N 3.3Å |
| 39 | A | 86.3 | Confident | 91 | Very high | 55 Ų | 55 | 62.4 Ų | 62.4 | 46% | 0.455 | 36% | 0.357 | S | S | . | . | G | 310 helix | trans | -64.6 | -18.4 | 177 | 0 | 0 | 0 | 0 | 0 | 114.5 | P37 | P37-A39 PolarHBondContact O-N 3.38Å; P37-A39 VanDerWaalsContact O-N 3.12Å |
| 40 | R | 89.5 | Confident | 90.7 | Very high | 102 Ų | 102 | 61.8 Ų | 61.8 | 39% | 0.385 | 37% | 0.367 | S | S | . | . | G | 310 helix | trans | -98.6 | 0.4 | 176.2 | -64.4 | -179.5 | 61.9 | -166.5 | 0.3 | 112.3 | V36 P37 A38 I75 T76 P78 | V36-R40 HydrophobicContact CG1-CB 4.22Å; P37-R40 HydrophobicContact CB-CG 4.42Å; P37-R40 WeakPolarHBondContact O-CA 3.31Å; P37-R40 WeakPolarHBondContact O-CB 3.11Å; P37-R40 PolarHBondContact O-N 3.41Å; A38-R40 PolarHBondContact O-N 3.39Å; R40-I75 HydrophobicContact CB-CG2 4.43Å; R40-I75 CarbonylContact O-C 3.6Å; R40-I75 VanDerWaalsContact O-CA 3.32Å; R40-I75 WeakPolarHBondContact O-CA 3.44Å; R40-T76 WeakPolarHBondContact CB-O 3.44Å; R40-T76 WeakPolarHBondContact CG-O 3.44Å; R40-T76 PolarHBondContact NE-O 3.33Å; R40-T76 PolarHBondContact O-N 2.82Å; R40-T76 PolarHBondContact O-OG1 3.28Å; R40-P78 HydrophobicContact CG-CG 3.73Å |
| 41 | Q | 93.1 | Very high | 90.7 | Very high | 9 Ų | 9 | 64.4 Ų | 64.4 | 4% | 0.042 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 119.6 | -177.4 | -60.7 | 175.9 | 31.2 | 0 | 0 | 110.4 | K27 I30 V36 P37 A38 L73 | K27-Q41 HydrophobicContact CG-CB 4.42Å; K27-Q41 PolarHBondContact O-NE2 3.3Å; K27-Q41 PolarHBondContact O-OE1 3.26Å; I30-Q41 VanDerWaalsContact CG2-CD 3.46Å; I30-Q41 HydrophobicContact CG2-CG 4.28Å; V36-Q41 HydrophobicContact CB-CG 4.26Å; V36-Q41 HydrophobicContact CG1-CG 3.7Å; V36-Q41 PolarHBondContact O-NE2 2.88Å; P37-Q41 WeakPolarHBondContact O-CG 3.4Å; P37-Q41 PolarHBondContact O-N 3.12Å; A38-Q41 WeakPolarHBondContact O-CB 3.36Å; A38-Q41 PolarHBondContact O-N 3.3Å; Q41-L73 HydrophobicContact CB-CD1 3.71Å; Q41-L73 HydrophobicContact CG-CD1 3.8Å |
| 42 | R | 93.9 | Very high | 90.8 | Very high | 144 Ų | 144 | 63.5 Ų | 63.5 | 54% | 0.543 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 107.3 | 164.8 | -179.8 | 172.9 | -171.8 | 149.6 | 1 | 108.9 | L74 T76 | R42-L74 HydrophobicContact CB-CB 4.11Å; R42-L74 HydrophobicContact CG-CD1 4.3Å; R42-L74 PolarHBondContact N-O 2.87Å; R42-L74 PolarHBondContact O-N 2.83Å; R42-T76 HydrophobicContact CB-CG2 4Å |
| 43 | L | 95.7 | Very high | 90.9 | Very high | 2 Ų | 2 | 56.4 Ų | 56.4 | 1% | 0.01 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 134.1 | -178.8 | -57.4 | -178.3 | 0 | 0 | 0 | 110.1 | L26 K27 I30 L53 V71 S72 L73 | L26-L43 HydrophobicContact CD2-CD1 3.93Å; L26-L43 HydrophobicContact CG-CD1 4.08Å; K27-L43 HydrophobicContact CG-CD1 3.79Å; K27-L43 HydrophobicContact CG-CG 4.4Å; I30-L43 HydrophobicContact CD1-CD1 3.93Å; I30-L43 HydrophobicContact CD1-CD2 3.59Å; I30-L43 HydrophobicContact CD1-CG 4.41Å; L43-L53 HydrophobicContact CB-CB 4.04Å; L43-L53 HydrophobicContact CB-CD1 4.03Å; L43-L53 HydrophobicContact CB-CG 4.26Å; L43-L53 PolarHBondContact O-N 3.07Å; L43-V71 HydrophobicContact CB-CG1 3.92Å; L43-V71 HydrophobicContact CD2-CG1 4.3Å; L43-S72 CarbonylContact C-O 3.59Å; L43-S72 WeakPolarHBondContact CA-O 3.4Å; L43-L73 HydrophobicContact CD2-CB 4.12Å; L43-L73 HydrophobicContact CD2-CD1 3.61Å; L43-L73 HydrophobicContact CD2-CG 4.43Å |
| 44 | V | 96.3 | Very high | 90.8 | Very high | 23 Ų | 23 | 58 Ų | 58 | 14% | 0.139 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 123 | 176.9 | -177 | 0 | 0 | 0 | 0 | 108.6 | V71 S72 L74 | V44-V71 CarbonylContact O-C 3.56Å; V44-S72 PolarHBondContact N-O 2.81Å; V44-S72 PolarHBondContact O-N 2.83Å; V44-L74 HydrophobicContact CG2-CD1 4.15Å |
| 45 | F | 95.8 | Very high | 90.9 | Very high | 9 Ų | 9 | 58.9 Ų | 58.9 | 4% | 0.039 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 132.3 | 172.3 | 178.6 | -129.8 | 0 | 0 | 0 | 109.6 | N47 T51 L53 Y63 I65 Q70 V71 | F45-N47 HydrophobicContact CD1-CB 4.48Å; F45-N47 HydrophobicContact CE1-CB 3.72Å; F45-N47 HydrophobicContact CE2-CB 4.38Å; F45-N47 HydrophobicContact CZ-CB 3.65Å; F45-T51 PolarHBondContact N-O 3.33Å; F45-T51 PolarHBondContact O-N 2.85Å; F45-L53 HydrophobicContact CB-CD2 4.12Å; F45-L53 HydrophobicContact CB-CG 4.44Å; F45-Y63 WeakPolarHBondContact CE1-O 3.44Å; F45-I65 HydrophobicContact CB-CD1 4.36Å; F45-I65 HydrophobicContact CB-CG1 4.38Å; F45-I65 HydrophobicContact CD1-CD1 4.48Å; F45-I65 HydrophobicContact CD1-CG1 3.69Å; F45-I65 HydrophobicContact CD2-CG1 4.11Å; F45-I65 HydrophobicContact CE1-CG1 3.89Å; F45-I65 HydrophobicContact CE2-CG1 4.34Å; F45-I65 HydrophobicContact CG-CD1 4.3Å; F45-I65 HydrophobicContact CG-CG1 3.8Å; F45-I65 HydrophobicContact CZ-CG1 4.21Å; F45-Q70 WeakPolarHBondContact CD2-O 3.46Å; F45-V71 HydrophobicContact CB-CG2 4.49Å; F45-V71 HydrophobicContact CD2-CG2 4.16Å |
| 46 | T | 87.9 | Confident | 91.2 | Very high | 74 Ų | 74 | 59.6 Ų | 59.6 | 45% | 0.454 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 113.7 | 178.4 | -58.1 | 0 | 0 | 0 | 0 | 109.8 | S49 | T46-S49 WeakPolarHBondContact CA-O 3.37Å |
| 47 | N | 85 | Confident | 91.5 | Very high | 115 Ų | 115 | 63.1 Ų | 63.1 | 62% | 0.615 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -138.4 | 71.8 | 173.8 | -175.8 | 16.5 | 0 | 0 | 0 | 109.3 | F45 S49 | F45-N47 HydrophobicContact CD1-CB 4.48Å; F45-N47 HydrophobicContact CE1-CB 3.72Å; F45-N47 HydrophobicContact CE2-CB 4.38Å; F45-N47 HydrophobicContact CZ-CB 3.65Å; N47-S49 PolarHBondContact N-O 2.87Å; N47-S49 VanDerWaalsContact N-O 3.13Å; N47-S49 PolarHBondContact O-N 3.03Å |
| 48 | G | 82.1 | Confident | 91.8 | Very high | 91 Ų | 91 | 65.9 Ų | 65.9 | 94% | 0.938 | 39% | 0.385 | S | S | * | . | S | Bend | trans | 74.3 | -25.4 | -169.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 49 | S | 85.1 | Confident | 92.2 | Very high | 78 Ų | 78 | 66.5 Ų | 66.5 | 55% | 0.545 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -129.7 | 147 | 169.1 | 179.3 | 0 | 0 | 0 | 0 | 110.5 | T46 N47 | T46-S49 WeakPolarHBondContact CA-O 3.37Å; N47-S49 PolarHBondContact N-O 2.87Å; N47-S49 VanDerWaalsContact N-O 3.13Å; N47-S49 PolarHBondContact O-N 3.03Å |
| 50 | S | 90.3 | Very high | 92.6 | Very high | 81 Ų | 81 | 63.9 Ų | 63.9 | 57% | 0.566 | 37% | 0.366 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 106.9 | 175.9 | -69.2 | 0 | 0 | 0 | 0 | 110.6 | ||
| 51 | T | 94.4 | Very high | 92.9 | Very high | 54 Ų | 54 | 61.2 Ų | 61.2 | 33% | 0.331 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 115.8 | -180 | -55.5 | 0 | 0 | 0 | 0 | 110.1 | F45 Y63 | F45-T51 PolarHBondContact N-O 3.33Å; F45-T51 PolarHBondContact O-N 2.85Å; T51-Y63 HydrophobicContact CG2-CD1 3.82Å; T51-Y63 HydrophobicContact CG2-CE1 4.03Å |
| 52 | P | 94.8 | Very high | 92.9 | Very high | 55 Ų | 55 | 63 Ų | 63 | 36% | 0.357 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 135.1 | 172.5 | 28.9 | -32.4 | 0 | 0 | 0 | 110.5 | N54 | P52-N54 PolarHBondContact O-N 3.42Å |
| 53 | L | 95 | Very high | 92.9 | Very high | 3 Ų | 3 | 57.3 Ų | 57.3 | 2% | 0.016 | 36% | 0.355 | C | S | . | . | trans | -92.6 | 79 | 174.5 | -48.9 | -178.4 | 0 | 0 | 0 | 108.6 | V23 L43 F45 Y63 I65 V71 | V23-L53 HydrophobicContact CG1-CB 3.78Å; V23-L53 WeakPolarHBondContact CG1-O 3.23Å; V23-L53 HydrophobicContact CG2-CB 3.92Å; L43-L53 HydrophobicContact CB-CB 4.04Å; L43-L53 HydrophobicContact CB-CD1 4.03Å; L43-L53 HydrophobicContact CB-CG 4.26Å; L43-L53 PolarHBondContact O-N 3.07Å; F45-L53 HydrophobicContact CB-CD2 4.12Å; F45-L53 HydrophobicContact CB-CG 4.44Å; L53-Y63 HydrophobicContact CD2-CD1 3.51Å; L53-Y63 HydrophobicContact CD2-CD2 3.88Å; L53-Y63 HydrophobicContact CD2-CE1 3.75Å; L53-Y63 HydrophobicContact CD2-CE2 4.09Å; L53-Y63 HydrophobicContact CD2-CG 3.56Å; L53-I65 HydrophobicContact CD1-CD1 3.7Å; L53-I65 HydrophobicContact CD2-CD1 4.08Å; L53-V71 HydrophobicContact CD1-CG1 4.03Å | ||
| 54 | N | 90.7 | Very high | 92.8 | Very high | 126 Ų | 126 | 61.5 Ų | 61.5 | 67% | 0.674 | 38% | 0.384 | S | S | * | . | trans | -101 | -13 | -173.8 | 61.7 | -17.4 | 0 | 0 | 0 | 114.4 | P52 | P52-N54 PolarHBondContact O-N 3.42Š| ||
| 55 | D | 93.8 | Very high | 92.7 | Very high | 65 Ų | 65 | 60.6 Ų | 60.6 | 35% | 0.348 | 38% | 0.379 | S | S | . | . | trans | -98.4 | 101.8 | 177.9 | -177 | -10.9 | 0 | 0 | 0 | 110.3 | V23 S57 R58 | V23-D55 WeakPolarHBondContact CB-O 3.36Å; D55-S57 PolarHBondContact O-N 2.68Å; D55-S57 WeakPolarHBondContact OD1-CB 3.44Å; D55-S57 PolarHBondContact OD1-N 3.1Å; D55-S57 PolarHBondContact OD1-OG 3.24Å; D55-R58 HydrophobicContact CB-CB 3.88Å; D55-R58 WeakPolarHBondContact O-CB 3.48Å; D55-R58 PolarHBondContact O-N 3.25Å; D55-R58 PolarHBondContact OD1-N 2.63Å | ||
| 56 | D | 95.2 | Very high | 92.6 | Very high | 75 Ų | 75 | 61.1 Ų | 61.1 | 40% | 0.401 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -16.8 | -176.3 | -75.4 | -9.2 | 0 | 0 | 0 | 113.9 | T22 G24 K27 | T22-D56 WeakPolarHBondContact CB-O 3.34Å; T22-D56 PolarHBondContact OG1-O 2.75Å; T22-D56 VanDerWaalsContact OG1-O 3.11Å; G24-D56 PolarHBondContact N-O 3.01Å; K27-D56 WeakPolarHBondContact CE-OD1 3.29Å; K27-D56 IonicContact NZ-OD1 2.68Å; K27-D56 PolarHBondContact NZ-OD1 3.24Å; K27-D56 IonicContact NZ-OD2 3.42Å; K27-D56 PolarHBondContact NZ-OD2 3.47Å |
| 57 | S | 96.4 | Very high | 92.9 | Very high | 89 Ų | 89 | 62.7 Ų | 62.7 | 62% | 0.622 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | -18.6 | 177.6 | 75.5 | 0 | 0 | 0 | 0 | 112.8 | T22 D55 | T22-S57 WeakPolarHBondContact CG2-O 3.41Å; D55-S57 PolarHBondContact O-N 2.68Å; D55-S57 WeakPolarHBondContact OD1-CB 3.44Å; D55-S57 PolarHBondContact OD1-N 3.1Å; D55-S57 PolarHBondContact OD1-OG 3.24Å |
| 58 | R | 96.9 | Very high | 93.2 | Very high | 109 Ų | 109 | 59.7 Ų | 59.7 | 41% | 0.411 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -84.8 | 135.5 | -169 | -172.7 | 164.3 | -178.7 | 176.2 | 3.6 | 111.7 | T22 V23 D55 S62 Y63 | T22-R58 WeakPolarHBondContact CA-O 3.37Å; V23-R58 PolarHBondContact N-O 3.01Å; D55-R58 HydrophobicContact CB-CB 3.88Å; D55-R58 WeakPolarHBondContact O-CB 3.48Å; D55-R58 PolarHBondContact O-N 3.25Å; D55-R58 PolarHBondContact OD1-N 2.63Å; R58-S62 WeakPolarHBondContact CG-OG 3.23Å; R58-S62 PolarHBondContact NE-OG 3.19Å; R58-Y63 HydrophobicContact CB-CE2 3.92Å; R58-Y63 HydrophobicContact CG-CD2 4.32Å; R58-Y63 HydrophobicContact CG-CE2 3.58Å |
| 59 | P | 97.3 | Very high | 93.8 | Very high | 37 Ų | 37 | 56.4 Ų | 56.4 | 24% | 0.24 | 36% | 0.357 | C | S | . | . | B | Isolated β-bridge | trans | -73.5 | 148.1 | -178.5 | 28.3 | -34.5 | 0 | 0 | 0 | 112.2 | D21 S61 S62 | D21-P59 CarbonylContact O-C 3.58Å; D21-P59 VanDerWaalsContact O-CA 3.32Å; D21-P59 WeakPolarHBondContact O-CA 3.48Å; P59-S61 VanDerWaalsContact C-N 3.26Å; P59-S61 PolarHBondContact O-N 2.9Å; P59-S62 WeakPolarHBondContact O-CB 3.31Å; P59-S62 PolarHBondContact O-N 3.41Å; P59-S62 PolarHBondContact O-OG 3.14Å |
| 60 | L | 96 | Very high | 94.2 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 36% | 0.355 | C | S | . | . | G | 310 helix | trans | -56.5 | -39 | -179.9 | -64.2 | -179.1 | 0 | 0 | 0 | 112.4 | V17 D21 V23 L26 S62 Y63 I65 | V17-L60 HydrophobicContact CB-CD1 4.01Å; V17-L60 HydrophobicContact CG1-CD1 4.38Å; V17-L60 HydrophobicContact CG2-CD1 3.86Å; D21-L60 HydrophobicContact CB-CD1 4.18Å; D21-L60 WeakPolarHBondContact O-CG 3.36Å; D21-L60 PolarHBondContact O-N 3.01Å; V23-L60 HydrophobicContact CG2-CD2 4.27Å; L26-L60 HydrophobicContact CB-CD1 4.5Å; L26-L60 HydrophobicContact CB-CD2 4.28Å; L26-L60 HydrophobicContact CD2-CD1 4.24Å; L26-L60 HydrophobicContact CD2-CD2 3.66Å; L60-S62 PolarHBondContact O-N 3.02Å; L60-Y63 PolarHBondContact O-N 3.27Å; L60-Y63 VanDerWaalsContact O-N 3.09Å; L60-I65 HydrophobicContact CB-CB 4.29Å; L60-I65 HydrophobicContact CB-CD1 4.37Å; L60-I65 HydrophobicContact CD2-CD1 3.93Å; L60-I65 WeakPolarHBondContact O-CB 3.37Å; L60-I65 PolarHBondContact O-N 2.94Å |
| 61 | S | 94.6 | Very high | 94.5 | Very high | 46 Ų | 46 | 54 Ų | 54 | 32% | 0.322 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | -58.5 | -31.5 | 177.3 | 50.6 | 0 | 0 | 0 | 0 | 113.7 | P19 P59 Y63 S64 | P19-S61 WeakPolarHBondContact O-CB 3.42Å; P19-S61 PolarHBondContact O-N 3.3Å; P19-S61 PolarHBondContact O-OG 3.22Å; P59-S61 VanDerWaalsContact C-N 3.26Å; P59-S61 PolarHBondContact O-N 2.9Å; S61-Y63 PolarHBondContact O-N 3.34Å; S61-S64 WeakPolarHBondContact O-CA 3.27Å; S61-S64 PolarHBondContact O-N 3.39Å |
| 62 | S | 94.8 | Very high | 94.6 | Very high | 46 Ų | 46 | 53.3 Ų | 53.3 | 32% | 0.322 | 33% | 0.325 | S | S | . | . | G | 310 helix | trans | -72.9 | -12.5 | 179.2 | 75.4 | 0 | 0 | 0 | 0 | 114 | R58 P59 L60 S64 | R58-S62 WeakPolarHBondContact CG-OG 3.23Å; R58-S62 PolarHBondContact NE-OG 3.19Å; P59-S62 WeakPolarHBondContact O-CB 3.31Å; P59-S62 PolarHBondContact O-N 3.41Å; P59-S62 PolarHBondContact O-OG 3.14Å; L60-S62 PolarHBondContact O-N 3.02Å; S62-S64 VanDerWaalsContact C-N 3.35Å |
| 63 | Y | 93.8 | Very high | 94.6 | Very high | 26 Ų | 26 | 50.8 Ų | 50.8 | 10% | 0.102 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -95.2 | 6.9 | 169.7 | -67.2 | -82.3 | 0 | 0 | 0 | 112.1 | V23 F45 T51 L53 R58 L60 S61 I65 | V23-Y63 HydrophobicContact CG2-CD2 4.26Å; V23-Y63 HydrophobicContact CG2-CE2 3.63Å; F45-Y63 WeakPolarHBondContact CE1-O 3.44Å; T51-Y63 HydrophobicContact CG2-CD1 3.82Å; T51-Y63 HydrophobicContact CG2-CE1 4.03Å; L53-Y63 HydrophobicContact CD2-CD1 3.51Å; L53-Y63 HydrophobicContact CD2-CD2 3.88Å; L53-Y63 HydrophobicContact CD2-CE1 3.75Å; L53-Y63 HydrophobicContact CD2-CE2 4.09Å; L53-Y63 HydrophobicContact CD2-CG 3.56Å; R58-Y63 HydrophobicContact CB-CE2 3.92Å; R58-Y63 HydrophobicContact CG-CD2 4.32Å; R58-Y63 HydrophobicContact CG-CE2 3.58Å; L60-Y63 PolarHBondContact O-N 3.27Å; L60-Y63 VanDerWaalsContact O-N 3.09Å; S61-Y63 PolarHBondContact O-N 3.34Å; Y63-I65 PolarHBondContact O-N 3.46Å |
| 64 | S | 93.5 | Very high | 94.5 | Very high | 89 Ų | 89 | 53.1 Ų | 53.1 | 62% | 0.622 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.3 | 28.6 | -173.1 | -53 | 0 | 0 | 0 | 0 | 113.1 | S61 S62 G66 | S61-S64 WeakPolarHBondContact O-CA 3.27Å; S61-S64 PolarHBondContact O-N 3.39Å; S62-S64 VanDerWaalsContact C-N 3.35Å; S64-G66 PolarHBondContact O-N 3.3Å |
| 65 | I | 94.1 | Very high | 94.5 | Very high | 5 Ų | 5 | 51.1 Ų | 51.1 | 3% | 0.026 | 31% | 0.31 | C | S | . | . | trans | -74.7 | 119.1 | 172.2 | -63.1 | 169.4 | 0 | 0 | 0 | 107.2 | M1 I3 F45 L53 L60 Y63 V71 | M1-I65 HydrophobicContact CE-CG2 4.2Å; M1-I65 VanDerWaalsContact CE-O 3.29Å; M1-I65 WeakPolarHBondContact CE-O 3.37Å; I3-I65 HydrophobicContact CG2-CG2 3.87Å; F45-I65 HydrophobicContact CB-CD1 4.36Å; F45-I65 HydrophobicContact CB-CG1 4.38Å; F45-I65 HydrophobicContact CD1-CD1 4.48Å; F45-I65 HydrophobicContact CD1-CG1 3.69Å; F45-I65 HydrophobicContact CD2-CG1 4.11Å; F45-I65 HydrophobicContact CE1-CG1 3.89Å; F45-I65 HydrophobicContact CE2-CG1 4.34Å; F45-I65 HydrophobicContact CG-CD1 4.3Å; F45-I65 HydrophobicContact CG-CG1 3.8Å; F45-I65 HydrophobicContact CZ-CG1 4.21Å; L53-I65 HydrophobicContact CD1-CD1 3.7Å; L53-I65 HydrophobicContact CD2-CD1 4.08Å; L60-I65 HydrophobicContact CB-CB 4.29Å; L60-I65 HydrophobicContact CB-CD1 4.37Å; L60-I65 HydrophobicContact CD2-CD1 3.93Å; L60-I65 WeakPolarHBondContact O-CB 3.37Å; L60-I65 PolarHBondContact O-N 2.94Å; Y63-I65 PolarHBondContact O-N 3.46Å; I65-V71 HydrophobicContact CD1-CG2 4.35Å | ||
| 66 | G | 92 | Very high | 94.2 | Very high | 19 Ų | 19 | 50.5 Ų | 50.5 | 20% | 0.196 | 31% | 0.308 | C | S | . | . | trans | -122.2 | -176.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | M1 S64 G68 S69 | M1-G66 VanDerWaalsContact SD-C 3.57Å; S64-G66 PolarHBondContact O-N 3.3Å; G66-G68 PolarHBondContact O-N 2.98Å; G66-S69 PolarHBondContact N-OG 3.38Å; G66-S69 WeakPolarHBondContact O-CB 3.43Å; G66-S69 PolarHBondContact O-N 2.81Å; G66-S69 VanDerWaalsContact O-N 3.12Å; G66-S69 PolarHBondContact O-OG 3.22Å | ||
| 67 | P | 94.2 | Very high | 93.5 | Very high | 107 Ų | 107 | 55.1 Ų | 55.1 | 70% | 0.695 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | 134.8 | 173.4 | -20.5 | 30.4 | 0 | 0 | 0 | 111.9 | M1 D2 S69 | M1-P67 HydrophobicContact CB-CB 4.21Å; M1-P67 HydrophobicContact CB-CG 3.86Å; M1-P67 HydrophobicContact SD-CG 4.41Å; D2-P67 CarbonylContact O-C 3.57Å; D2-P67 WeakPolarHBondContact O-CA 3.37Å; P67-S69 PolarHBondContact O-N 3.3Å |
| 68 | G | 92.2 | Very high | 92.5 | Very high | 53 Ų | 53 | 52.6 Ų | 52.6 | 55% | 0.546 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.5 | -1.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | D2 G66 | D2-G68 PolarHBondContact O-N 3.45Å; G66-G68 PolarHBondContact O-N 2.98Å |
| 69 | S | 94.7 | Very high | 91.8 | Very high | 22 Ų | 22 | 52.2 Ų | 52.2 | 15% | 0.154 | 32% | 0.323 | C | S | . | . | trans | -60 | 139.4 | 178.6 | -72.2 | 0 | 0 | 0 | 0 | 111.7 | V4 G66 P67 | V4-S69 PolarHBondContact N-O 2.8Å; G66-S69 PolarHBondContact N-OG 3.38Å; G66-S69 WeakPolarHBondContact O-CB 3.43Å; G66-S69 PolarHBondContact O-N 2.81Å; G66-S69 VanDerWaalsContact O-N 3.12Å; G66-S69 PolarHBondContact O-OG 3.22Å; P67-S69 PolarHBondContact O-N 3.3Å | ||
| 70 | Q | 94.2 | Very high | 91.4 | Very high | 107 Ų | 107 | 54.3 Ų | 54.3 | 50% | 0.5 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 120.7 | 178.3 | -60.7 | -170.5 | 15.9 | 0 | 0 | 110.9 | V4 F45 | V4-Q70 HydrophobicContact CB-CG 4.18Å; V4-Q70 CarbonylContact O-C 3.52Å; V4-Q70 WeakPolarHBondContact O-CA 3.29Å; F45-Q70 WeakPolarHBondContact CD2-O 3.46Å |
| 71 | V | 96.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 120.8 | 174.2 | 179.5 | 0 | 0 | 0 | 0 | 108.4 | V4 I5 K6 L43 V44 F45 L53 I65 | V4-V71 PolarHBondContact O-N 2.83Å; I5-V71 CarbonylContact C-O 3.51Å; I5-V71 WeakPolarHBondContact CA-O 3.39Å; I5-V71 HydrophobicContact CD1-CB 3.93Å; I5-V71 HydrophobicContact CD1-CG1 4.4Å; K6-V71 PolarHBondContact N-O 3.08Å; L43-V71 HydrophobicContact CB-CG1 3.92Å; L43-V71 HydrophobicContact CD2-CG1 4.3Å; V44-V71 CarbonylContact O-C 3.56Å; F45-V71 HydrophobicContact CB-CG2 4.49Å; F45-V71 HydrophobicContact CD2-CG2 4.16Å; L53-V71 HydrophobicContact CD1-CG1 4.03Å; I65-V71 HydrophobicContact CD1-CG2 4.35Å |
| 72 | S | 96.2 | Very high | 91.5 | Very high | 40 Ų | 40 | 57.7 Ų | 57.7 | 28% | 0.28 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 130.4 | 175.3 | -64.9 | 0 | 0 | 0 | 0 | 110.3 | K6 L43 V44 | K6-S72 CarbonylContact O-C 3.55Å; K6-S72 WeakPolarHBondContact O-CA 3.25Å; L43-S72 CarbonylContact C-O 3.59Å; L43-S72 WeakPolarHBondContact CA-O 3.4Å; V44-S72 PolarHBondContact N-O 2.81Å; V44-S72 PolarHBondContact O-N 2.83Å |
| 73 | L | 95.4 | Very high | 91.6 | Very high | 2 Ų | 2 | 55.5 Ų | 55.5 | 1% | 0.01 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 113.6 | 173 | 171.2 | 61.9 | 0 | 0 | 0 | 109.6 | I5 K6 M7 I30 L34 Q41 L43 | I5-L73 HydrophobicContact CG2-CB 3.77Å; I5-L73 HydrophobicContact CG2-CD2 4.21Å; K6-L73 PolarHBondContact O-N 2.89Å; M7-L73 HydrophobicContact CE-CD2 4.47Å; M7-L73 HydrophobicContact CG-CD2 4.43Å; I30-L73 HydrophobicContact CG2-CD2 3.76Å; L34-L73 HydrophobicContact CD1-CD2 4.22Å; Q41-L73 HydrophobicContact CB-CD1 3.71Å; Q41-L73 HydrophobicContact CG-CD1 3.8Å; L43-L73 HydrophobicContact CD2-CB 4.12Å; L43-L73 HydrophobicContact CD2-CD1 3.61Å; L43-L73 HydrophobicContact CD2-CG 4.43Å |
| 74 | L | 92.5 | Very high | 91.9 | Very high | 53 Ų | 53 | 56.5 Ų | 56.5 | 28% | 0.277 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 127.7 | 168.5 | -52.8 | 172.2 | 0 | 0 | 0 | 108.2 | L8 R42 V44 | L8-L74 HydrophobicContact CD1-CD2 3.75Å; L8-L74 HydrophobicContact CD2-CD2 3.41Å; L8-L74 VanDerWaalsContact CD2-CD2 3.41Å; L8-L74 HydrophobicContact CG-CD2 3.65Å; R42-L74 HydrophobicContact CB-CB 4.11Å; R42-L74 HydrophobicContact CG-CD1 4.3Å; R42-L74 PolarHBondContact N-O 2.87Å; R42-L74 PolarHBondContact O-N 2.83Å; V44-L74 HydrophobicContact CG2-CD1 4.15Å |
| 75 | I | 90.4 | Very high | 92.1 | Very high | 84 Ų | 84 | 52.2 Ų | 52.2 | 43% | 0.431 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 116.9 | 175.1 | -56.3 | 177.7 | 0 | 0 | 0 | 108.2 | V36 R40 | V36-I75 HydrophobicContact CG1-CD1 4.43Å; V36-I75 HydrophobicContact CG1-CG1 4.13Å; V36-I75 HydrophobicContact CG1-CG2 4.3Å; V36-I75 HydrophobicContact CG2-CD1 3.94Å; V36-I75 HydrophobicContact CG2-CG1 4.4Å; R40-I75 HydrophobicContact CB-CG2 4.43Å; R40-I75 CarbonylContact O-C 3.6Å; R40-I75 VanDerWaalsContact O-CA 3.32Å; R40-I75 WeakPolarHBondContact O-CA 3.44Å |
| 76 | T | 87 | Confident | 92.3 | Very high | 52 Ų | 52 | 54 Ų | 54 | 32% | 0.319 | 31% | 0.314 | S | S | . | . | trans | -106.8 | 162.7 | 179.7 | 60.8 | 0 | 0 | 0 | 0 | 111.6 | R40 R42 | R40-T76 WeakPolarHBondContact CB-O 3.44Å; R40-T76 WeakPolarHBondContact CG-O 3.44Å; R40-T76 PolarHBondContact NE-O 3.33Å; R40-T76 PolarHBondContact O-N 2.82Å; R40-T76 PolarHBondContact O-OG1 3.28Å; R42-T76 HydrophobicContact CB-CG2 4Å | ||
| 77 | Q | 80.7 | Confident | 92.4 | Very high | 171 Ų | 171 | 54.2 Ų | 54.2 | 80% | 0.799 | 31% | 0.311 | S | S | * | . | P | Polyproline II helix | trans | -67.5 | 140.6 | 160 | -137.7 | 94 | 20.4 | 0 | 0 | 107.7 | S79 | Q77-S79 PolarHBondContact O-N 3.02Š|
| 78 | P | 76.1 | Confident | 92.3 | Very high | 37 Ų | 37 | 54.7 Ų | 54.7 | 24% | 0.24 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -58.3 | 138.7 | 168.5 | -15.3 | 28.1 | 0 | 0 | 0 | 109.1 | R40 T80 T98 | R40-P78 HydrophobicContact CG-CG 3.73Å; P78-T80 PolarHBondContact O-N 3.15Å; P78-T98 HydrophobicContact CB-CG2 3.78Å; P78-T98 HydrophobicContact CG-CG2 4.4Å |
| 79 | S | 81.8 | Confident | 92.3 | Very high | 101 Ų | 101 | 61 Ų | 61 | 71% | 0.706 | 32% | 0.317 | S | S | * | . | P | Polyproline II helix | trans | -61 | 123.4 | 167.6 | -62.1 | 0 | 0 | 0 | 0 | 108.7 | Q77 P99 | Q77-S79 PolarHBondContact O-N 3.02Å; S79-P99 WeakPolarHBondContact O-CD 3.02Å |
| 80 | T | 89.4 | Confident | 92.3 | Very high | 80 Ų | 80 | 62.5 Ų | 62.5 | 49% | 0.491 | 34% | 0.335 | S | S | . | . | trans | -106 | 152.8 | 173.9 | 54.9 | 0 | 0 | 0 | 0 | 110.1 | P78 D96 V97 T98 | P78-T80 PolarHBondContact O-N 3.15Å; T80-D96 HydrophobicContact CG2-CB 4.3Å; T80-V97 CarbonylContact C-O 3.6Å; T80-V97 WeakPolarHBondContact CA-O 3.46Å; T80-T98 HydrophobicContact CG2-CG2 4.02Å | ||
| 81 | F | 94.3 | Very high | 92.4 | Very high | 35 Ų | 35 | 60.8 Ų | 60.8 | 15% | 0.154 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 158.3 | 167.2 | 62.6 | -90.5 | 0 | 0 | 0 | 109.3 | V83 D96 V97 P99 R141 E142 | F81-V83 HydrophobicContact CD2-CG1 3.91Å; F81-V83 HydrophobicContact CE2-CG1 3.58Å; F81-D96 WeakPolarHBondContact O-CA 3.41Å; F81-V97 HydrophobicContact CD1-CG2 4.11Å; F81-V97 WeakPolarHBondContact CD1-O 3.26Å; F81-V97 HydrophobicContact CD2-CG2 3.43Å; F81-V97 VanDerWaalsContact CD2-CG2 3.43Å; F81-V97 HydrophobicContact CE1-CG2 3.84Å; F81-V97 HydrophobicContact CE2-CG2 3.16Å; F81-V97 HydrophobicContact CG-CG2 3.95Å; F81-V97 HydrophobicContact CZ-CB 4.44Å; F81-V97 HydrophobicContact CZ-CG2 3.38Å; F81-V97 PolarHBondContact N-O 3.47Å; F81-V97 VanDerWaalsContact O-CG2 3.29Å; F81-V97 WeakPolarHBondContact O-CG2 3.48Å; F81-V97 PolarHBondContact O-N 3.11Å; F81-P99 HydrophobicContact CE1-CG 4.39Å; F81-R141 WeakPolarHBondContact CE2-O 3.4Å; F81-E142 HydrophobicContact CB-CB 4.07Å; F81-E142 HydrophobicContact CB-CG 4.09Å; F81-E142 HydrophobicContact CD2-CB 4.21Å; F81-E142 HydrophobicContact CG-CB 4.43Å |
| 82 | Q | 97.4 | Very high | 92.4 | Very high | 82 Ų | 82 | 65 Ų | 65 | 38% | 0.383 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 141.1 | -178.2 | -70.3 | -174.9 | -12.5 | 0 | 0 | 111.3 | T94 Y95 D96 H143 | Q82-T94 HydrophobicContact CB-CG2 4Å; Q82-T94 HydrophobicContact CG-CG2 3.99Å; Q82-Y95 CarbonylContact C-O 3.52Å; Q82-Y95 WeakPolarHBondContact CA-O 3.45Å; Q82-D96 WeakPolarHBondContact CG-OD1 3.37Å; Q82-H143 PolarHBondContact O-N 2.78Å |
| 83 | V | 98.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 156.8 | 166.1 | -61.9 | 0 | 0 | 0 | 0 | 109.4 | F81 T94 Y95 V97 F106 V140 R141 I146 | F81-V83 HydrophobicContact CD2-CG1 3.91Å; F81-V83 HydrophobicContact CE2-CG1 3.58Å; V83-T94 CarbonylContact O-C 3.54Å; V83-T94 WeakPolarHBondContact O-CA 3.23Å; V83-Y95 PolarHBondContact N-O 3.44Å; V83-Y95 PolarHBondContact O-N 2.69Å; V83-V97 HydrophobicContact CB-CG2 4.4Å; V83-V97 HydrophobicContact CG1-CG2 3.59Å; V83-V97 HydrophobicContact CG2-CG1 3.69Å; V83-V97 HydrophobicContact CG2-CG2 3.99Å; V83-F106 HydrophobicContact CG2-CE2 4.05Å; V83-F106 HydrophobicContact CG2-CZ 4.26Å; V83-V140 HydrophobicContact CG1-CG1 3.64Å; V83-R141 WeakPolarHBondContact CG1-O 3.28Å; V83-I146 HydrophobicContact CG2-CD1 4.25Å |
| 84 | F | 98.5 | Very high | 92.6 | Very high | 47 Ų | 47 | 66.3 Ų | 66.3 | 21% | 0.206 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 141.5 | 177.8 | -56.8 | -59.3 | 0 | 0 | 0 | 110.1 | N92 T94 H143 S144 T145 I146 | F84-N92 WeakPolarHBondContact CB-OD1 3.19Å; F84-T94 HydrophobicContact CD1-CG2 4.43Å; F84-T94 HydrophobicContact CE1-CG2 4.25Å; F84-H143 WeakPolarHBondContact CD2-O 3.44Å; F84-H143 HydrophobicContact CE2-CB 3.84Å; F84-S144 PolarHBondContact N-O 2.74Å; F84-T145 HydrophobicContact CB-CG2 4.41Å; F84-T145 WeakPolarHBondContact O-CA 3.4Å; F84-I146 PolarHBondContact O-N 3.26Å |
| 85 | L | 98.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 120.6 | 171.3 | -172.6 | 80.5 | 0 | 0 | 0 | 108.8 | N92 S93 Y95 F106 V110 E114 L123 I146 L148 | L85-N92 CarbonylContact O-C 3.57Å; L85-N92 WeakPolarHBondContact O-CA 3.48Å; L85-S93 PolarHBondContact N-O 2.82Å; L85-S93 PolarHBondContact O-N 3.41Å; L85-Y95 HydrophobicContact CB-CD2 3.9Å; L85-Y95 HydrophobicContact CB-CE2 3.6Å; L85-Y95 HydrophobicContact CD2-CE2 3.7Å; L85-Y95 HydrophobicContact CG-CE2 4.28Å; L85-F106 HydrophobicContact CD1-CE1 4.1Å; L85-F106 HydrophobicContact CD1-CZ 4.37Å; L85-V110 HydrophobicContact CD2-CG1 3.83Å; L85-V110 HydrophobicContact CD2-CG2 3.9Å; L85-E114 HydrophobicContact CD2-CG 4.05Å; L85-L123 HydrophobicContact CD1-CD2 4.08Å; L85-I146 CarbonylContact C-O 3.57Å; L85-I146 VanDerWaalsContact CA-O 3.26Å; L85-I146 WeakPolarHBondContact CA-O 3.49Å; L85-I146 HydrophobicContact CD1-CB 3.99Å; L85-I146 HydrophobicContact CD1-CG2 3.75Å; L85-L148 HydrophobicContact CD1-CB 4.07Å; L85-L148 HydrophobicContact CD2-CB 4.36Å; L85-L148 HydrophobicContact CD2-CD2 4.31Å; L85-L148 HydrophobicContact CG-CB 4.25Å |
| 86 | I | 98.2 | Very high | 93.1 | Very high | 42 Ų | 42 | 64.3 Ų | 64.3 | 22% | 0.215 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 119.7 | 171.6 | -61.6 | 179.3 | 0 | 0 | 0 | 108.7 | T91 N92 T145 I146 Y147 L148 | I86-T91 WeakPolarHBondContact CA-O 3.36Å; I86-N92 HydrophobicContact CG1-CB 4.35Å; I86-T145 HydrophobicContact CD1-CG2 3.57Å; I86-T145 HydrophobicContact CG1-CG2 3.78Å; I86-I146 PolarHBondContact N-O 3.12Å; I86-Y147 HydrophobicContact CB-CD1 4Å; I86-Y147 HydrophobicContact CB-CE1 4.16Å; I86-Y147 HydrophobicContact CD1-CE1 4.04Å; I86-Y147 HydrophobicContact CG2-CD1 4.28Å; I86-Y147 HydrophobicContact CG2-CE1 4.35Å; I86-Y147 WeakPolarHBondContact O-CA 3.48Å; I86-L148 PolarHBondContact O-N 2.87Å |
| 87 | N | 95.2 | Very high | 93.4 | Very high | 24 Ų | 24 | 61.9 Ų | 61.9 | 13% | 0.128 | 34% | 0.336 | C | S | . | . | trans | -86.7 | 175.4 | 176.2 | 71.2 | 18.9 | 0 | 0 | 0 | 112.4 | K89 G90 T91 E114 L148 | N87-K89 PolarHBondContact O-N 2.78Å; N87-K89 WeakPolarHBondContact OD1-CA 3.32Å; N87-K89 WeakPolarHBondContact OD1-CB 3.21Å; N87-K89 PolarHBondContact OD1-N 3.18Å; N87-G90 PolarHBondContact O-N 3.41Å; N87-G90 PolarHBondContact OD1-N 3.39Å; N87-T91 PolarHBondContact N-O 2.87Å; N87-T91 VanDerWaalsContact N-O 3.09Å; N87-T91 WeakPolarHBondContact OD1-CB 3.39Å; N87-T91 PolarHBondContact OD1-N 2.92Å; N87-E114 PolarHBondContact ND2-OE2 3.49Å; N87-L148 HydrophobicContact CB-CD2 4.27Å | ||
| 88 | E | 91.8 | Very high | 94 | Very high | 117 Ų | 117 | 55.3 Ų | 55.3 | 55% | 0.547 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -19.4 | -179.4 | -60 | -171.2 | 146.2 | 0 | 0 | 114.3 | G90 L148 T149 L150 | E88-G90 VanDerWaalsContact C-N 3.29Å; E88-L148 WeakPolarHBondContact CG-O 3.48Å; E88-L148 PolarHBondContact N-O 2.77Å; E88-T149 WeakPolarHBondContact OE1-CA 3.46Å; E88-L150 PolarHBondContact OE1-N 2.83Å; E88-L150 WeakPolarHBondContact OE2-CD1 3.14Å; E88-L150 WeakPolarHBondContact OE2-CG 3.26Å |
| 89 | K | 92.4 | Very high | 94.6 | Very high | 186 Ų | 186 | 57 Ų | 57 | 81% | 0.809 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | 0.9 | 175.9 | -55.6 | 176.5 | -176.5 | 173.3 | 0 | 112.5 | N87 T91 | N87-K89 PolarHBondContact O-N 2.78Å; N87-K89 WeakPolarHBondContact OD1-CA 3.32Å; N87-K89 WeakPolarHBondContact OD1-CB 3.21Å; N87-K89 PolarHBondContact OD1-N 3.18Å; K89-T91 PolarHBondContact O-N 3.23Å |
| 90 | G | 93.9 | Very high | 94.9 | Very high | 53 Ų | 53 | 56.1 Ų | 56.1 | 55% | 0.546 | 31% | 0.306 | S | S | . | . | trans | 74 | 11 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114 | N87 E88 | N87-G90 PolarHBondContact O-N 3.41Å; N87-G90 PolarHBondContact OD1-N 3.39Å; E88-G90 VanDerWaalsContact C-N 3.29Å | ||
| 91 | T | 95.9 | Very high | 95.2 | Very high | 70 Ų | 70 | 53.7 Ų | 53.7 | 43% | 0.429 | 29% | 0.29 | S | S | . | . | trans | -75.2 | 130.8 | 177.4 | -53.6 | 0 | 0 | 0 | 0 | 109.5 | I86 N87 K89 | I86-T91 WeakPolarHBondContact CA-O 3.36Å; N87-T91 PolarHBondContact N-O 2.87Å; N87-T91 VanDerWaalsContact N-O 3.09Å; N87-T91 WeakPolarHBondContact OD1-CB 3.39Å; N87-T91 PolarHBondContact OD1-N 2.92Å; K89-T91 PolarHBondContact O-N 3.23Å | ||
| 92 | N | 96.9 | Very high | 95.3 | Very high | 89 Ų | 89 | 55 Ų | 55 | 48% | 0.476 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 121.4 | 177.9 | -173.6 | 6.9 | 0 | 0 | 0 | 111.2 | F84 L85 I86 | F84-N92 WeakPolarHBondContact CB-OD1 3.19Å; L85-N92 CarbonylContact O-C 3.57Å; L85-N92 WeakPolarHBondContact O-CA 3.48Å; I86-N92 HydrophobicContact CG1-CB 4.35Å |
| 93 | S | 97.3 | Very high | 95.3 | Very high | 13 Ų | 13 | 51.1 Ų | 51.1 | 9% | 0.091 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 128.5 | 177 | -75.2 | 0 | 0 | 0 | 0 | 110.5 | L85 E114 | L85-S93 PolarHBondContact N-O 2.82Å; L85-S93 PolarHBondContact O-N 3.41Å; S93-E114 PolarHBondContact OG-OE1 3.44Å |
| 94 | T | 97.9 | Very high | 95.3 | Very high | 56 Ų | 56 | 56.8 Ų | 56.8 | 34% | 0.344 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 135 | 175.1 | -51.1 | 0 | 0 | 0 | 0 | 111.7 | Q82 V83 F84 R113 | Q82-T94 HydrophobicContact CB-CG2 4Å; Q82-T94 HydrophobicContact CG-CG2 3.99Å; V83-T94 CarbonylContact O-C 3.54Å; V83-T94 WeakPolarHBondContact O-CA 3.23Å; F84-T94 HydrophobicContact CD1-CG2 4.43Å; F84-T94 HydrophobicContact CE1-CG2 4.25Å; T94-R113 PolarHBondContact O-NH1 3.01Å |
| 95 | Y | 97.7 | Very high | 95.2 | Very high | 12 Ų | 12 | 55.5 Ų | 55.5 | 5% | 0.047 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 132.5 | 176.9 | -74.1 | -95.2 | 0 | 0 | 0 | 111.6 | Q82 V83 L85 F106 R109 V110 R113 | Q82-Y95 CarbonylContact C-O 3.52Å; Q82-Y95 WeakPolarHBondContact CA-O 3.45Å; V83-Y95 PolarHBondContact N-O 3.44Å; V83-Y95 PolarHBondContact O-N 2.69Å; L85-Y95 HydrophobicContact CB-CD2 3.9Å; L85-Y95 HydrophobicContact CB-CE2 3.6Å; L85-Y95 HydrophobicContact CD2-CE2 3.7Å; L85-Y95 HydrophobicContact CG-CE2 4.28Å; Y95-F106 HydrophobicContact CD1-CE2 4.08Å; Y95-F106 HydrophobicContact CD2-CE2 4.35Å; Y95-F106 HydrophobicContact CD2-CZ 4.19Å; Y95-F106 AromaticContact CG-CE2 3.84Å; Y95-F106 HydrophobicContact CG-CE2 3.84Å; Y95-F106 HydrophobicContact CG-CZ 4.14Å; Y95-R109 HydrophobicContact CE1-CB 4.45Å; Y95-V110 HydrophobicContact CE1-CG2 4.35Å; Y95-R113 WeakPolarHBondContact OH-CD 3.35Å |
| 96 | D | 95 | Very high | 95.2 | Very high | 84 Ų | 84 | 55.5 Ų | 55.5 | 45% | 0.449 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 125 | 165.5 | -63 | -59.1 | 0 | 0 | 0 | 109.6 | T80 F81 Q82 R109 | T80-D96 HydrophobicContact CG2-CB 4.3Å; F81-D96 WeakPolarHBondContact O-CA 3.41Å; Q82-D96 WeakPolarHBondContact CG-OD1 3.37Å; D96-R109 VanDerWaalsContact O-CZ 3.23Å; D96-R109 PolarHBondContact O-NH1 3.08Å; D96-R109 PolarHBondContact O-NH2 2.72Å |
| 97 | V | 94.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 150.5 | 179.6 | -68.7 | 0 | 0 | 0 | 0 | 110.1 | T80 F81 V83 E101 F106 R109 L135 | T80-V97 CarbonylContact C-O 3.6Å; T80-V97 WeakPolarHBondContact CA-O 3.46Å; F81-V97 HydrophobicContact CD1-CG2 4.11Å; F81-V97 WeakPolarHBondContact CD1-O 3.26Å; F81-V97 HydrophobicContact CD2-CG2 3.43Å; F81-V97 VanDerWaalsContact CD2-CG2 3.43Å; F81-V97 HydrophobicContact CE1-CG2 3.84Å; F81-V97 HydrophobicContact CE2-CG2 3.16Å; F81-V97 HydrophobicContact CG-CG2 3.95Å; F81-V97 HydrophobicContact CZ-CB 4.44Å; F81-V97 HydrophobicContact CZ-CG2 3.38Å; F81-V97 PolarHBondContact N-O 3.47Å; F81-V97 VanDerWaalsContact O-CG2 3.29Å; F81-V97 WeakPolarHBondContact O-CG2 3.48Å; F81-V97 PolarHBondContact O-N 3.11Å; V83-V97 HydrophobicContact CB-CG2 4.4Å; V83-V97 HydrophobicContact CG1-CG2 3.59Å; V83-V97 HydrophobicContact CG2-CG1 3.69Å; V83-V97 HydrophobicContact CG2-CG2 3.99Å; V97-E101 HydrophobicContact CB-CB 4.32Å; V97-E101 HydrophobicContact CB-CG 4.43Å; V97-E101 HydrophobicContact CG1-CG 4.3Å; V97-F106 HydrophobicContact CG1-CD2 3.75Å; V97-F106 HydrophobicContact CG1-CE2 3.75Å; V97-R109 VanDerWaalsContact CG1-NH2 3.34Å; V97-L135 HydrophobicContact CB-CD1 4.24Å; V97-L135 HydrophobicContact CG1-CD1 3.82Å |
| 98 | T | 92.2 | Very high | 95.2 | Very high | 33 Ų | 33 | 58.7 Ų | 58.7 | 20% | 0.202 | 32% | 0.32 | C | S | . | . | trans | -94.5 | 157.5 | 172.7 | 64.9 | 0 | 0 | 0 | 0 | 110.1 | P78 T80 D100 E101 | P78-T98 HydrophobicContact CB-CG2 3.78Å; P78-T98 HydrophobicContact CG-CG2 4.4Å; T80-T98 HydrophobicContact CG2-CG2 4.02Å; T98-D100 PolarHBondContact O-N 3.18Å; T98-D100 VanDerWaalsContact O-N 3.1Å; T98-E101 VanDerWaalsContact O-CB 3.26Å; T98-E101 WeakPolarHBondContact O-CB 3.5Å; T98-E101 PolarHBondContact O-N 3.04Å; T98-E101 PolarHBondContact OG1-N 3.45Å | ||
| 99 | P | 88.8 | Confident | 95.4 | Very high | 73 Ų | 73 | 56.5 Ų | 56.5 | 47% | 0.474 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -25.3 | 175.2 | -27.4 | 35.9 | 0 | 0 | 0 | 114.6 | S79 F81 S136 | S79-P99 WeakPolarHBondContact O-CD 3.02Å; F81-P99 HydrophobicContact CE1-CG 4.39Å; P99-S136 PolarHBondContact O-OG 2.8Å |
| 100 | D | 89.4 | Confident | 95.6 | Very high | 83 Ų | 83 | 47.6 Ų | 47.6 | 44% | 0.444 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | 6.9 | 179.9 | -66 | -52.3 | 0 | 0 | 0 | 113.6 | T98 T102 K134 | T98-D100 PolarHBondContact O-N 3.18Å; T98-D100 VanDerWaalsContact O-N 3.1Å; D100-T102 PolarHBondContact O-N 3.06Å; D100-K134 IonicContact OD1-NZ 2.64Å; D100-K134 PolarHBondContact OD1-NZ 3.36Å |
| 101 | E | 94.3 | Very high | 95.8 | Very high | 29 Ų | 29 | 48.6 Ų | 48.6 | 14% | 0.136 | 26% | 0.258 | C | S | . | . | trans | -58 | 125.2 | 179.4 | -174.4 | 75.7 | -148 | 0 | 0 | 110.1 | V97 T98 F106 R109 K134 L135 | V97-E101 HydrophobicContact CB-CB 4.32Å; V97-E101 HydrophobicContact CB-CG 4.43Å; V97-E101 HydrophobicContact CG1-CG 4.3Å; T98-E101 VanDerWaalsContact O-CB 3.26Å; T98-E101 WeakPolarHBondContact O-CB 3.5Å; T98-E101 PolarHBondContact O-N 3.04Å; T98-E101 PolarHBondContact OG1-N 3.45Å; E101-F106 HydrophobicContact CG-CB 4.15Å; E101-F106 PolarHBondContact OE1-N 2.94Å; E101-R109 IonicContact OE1-NE 3.75Å; E101-R109 IonicContact OE1-NH1 3.71Å; E101-R109 IonicContact OE2-CZ 3.74Å; E101-R109 IonicContact OE2-NH1 3.98Å; E101-R109 PolarHBondContact OE2-NH1 2.96Å; E101-R109 VanDerWaalsContact OE2-NH1 3.08Å; E101-K134 CarbonylContact O-C 3.6Å; E101-K134 WeakPolarHBondContact O-CA 3.36Å; E101-L135 HydrophobicContact CB-CD1 3.96Å; E101-L135 HydrophobicContact CB-CG 4.34Å; E101-L135 HydrophobicContact CG-CD1 3.71Å; E101-L135 HydrophobicContact CG-CG 4.25Å; E101-L135 PolarHBondContact O-N 2.88Å | ||
| 102 | T | 96.9 | Very high | 95.8 | Very high | 63 Ų | 63 | 54.3 Ų | 54.3 | 39% | 0.387 | 28% | 0.277 | S | S | . | . | B | Isolated β-bridge | trans | -82.7 | 151.7 | 177.1 | 62 | 0 | 0 | 0 | 0 | 110.8 | D100 E104 G105 F106 G133 | D100-T102 PolarHBondContact O-N 3.06Å; T102-E104 PolarHBondContact O-N 2.67Å; T102-G105 PolarHBondContact O-N 3.25Å; T102-G105 PolarHBondContact OG1-N 3.04Å; T102-F106 PolarHBondContact O-N 3.26Å; T102-G133 CarbonylContact C-O 3.57Å; T102-G133 VanDerWaalsContact CA-O 3.31Å; T102-G133 WeakPolarHBondContact CA-O 3.44Å |
| 103 | V | 97.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -55.8 | -43 | 173.2 | 173.5 | 0 | 0 | 0 | 0 | 110.6 | F106 R107 M130 G133 L135 Y138 | V103-F106 PolarHBondContact O-N 2.98Å; V103-R107 VanDerWaalsContact O-CG 3.27Å; V103-R107 WeakPolarHBondContact O-CG 3.48Å; V103-R107 PolarHBondContact O-N 3.03Å; V103-M130 HydrophobicContact CG1-CB 4.05Å; V103-M130 VanDerWaalsContact CG1-O 3.31Å; V103-M130 WeakPolarHBondContact CG1-O 3.36Å; V103-M130 HydrophobicContact CG2-CB 3.97Å; V103-G133 PolarHBondContact N-O 2.83Å; V103-L135 HydrophobicContact CG2-CD2 4.14Å; V103-Y138 HydrophobicContact CG2-CD2 4.1Å; V103-Y138 HydrophobicContact CG2-CE2 3.67Å |
| 104 | E | 97.6 | Very high | 95.4 | Very high | 118 Ų | 118 | 58.3 Ų | 58.3 | 55% | 0.551 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -64.8 | -43 | 178 | -166 | -162.1 | 144.2 | 0 | 0 | 112.2 | T102 R107 K108 | T102-E104 PolarHBondContact O-N 2.67Å; E104-R107 PolarHBondContact O-N 3.42Å; E104-K108 PolarHBondContact O-N 3.18Å; E104-K108 VanDerWaalsContact O-N 3.14Å; E104-K108 WeakPolarHBondContact OE1-CE 3.34Å; E104-K108 IonicContact OE1-NZ 3.54Å; E104-K108 PolarHBondContact OE1-NZ 2.86Å |
| 105 | G | 96.8 | Very high | 95.2 | Very high | 21 Ų | 21 | 58.6 Ų | 58.6 | 22% | 0.216 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -58.7 | -48.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | T102 R107 K108 R109 | T102-G105 PolarHBondContact O-N 3.25Å; T102-G105 PolarHBondContact OG1-N 3.04Å; G105-R107 PolarHBondContact O-N 2.68Å; G105-K108 PolarHBondContact O-N 3.47Å; G105-R109 WeakPolarHBondContact O-CG 3.48Å; G105-R109 PolarHBondContact O-N 2.71Å |
| 106 | F | 97.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.9 | -44.3 | 178.4 | -171.8 | -102.8 | 0 | 0 | 0 | 111.9 | V83 L85 Y95 V97 E101 T102 V103 K108 R109 V110 L123 L135 I146 | V83-F106 HydrophobicContact CG2-CE2 4.05Å; V83-F106 HydrophobicContact CG2-CZ 4.26Å; L85-F106 HydrophobicContact CD1-CE1 4.1Å; L85-F106 HydrophobicContact CD1-CZ 4.37Å; Y95-F106 HydrophobicContact CD1-CE2 4.08Å; Y95-F106 HydrophobicContact CD2-CE2 4.35Å; Y95-F106 HydrophobicContact CD2-CZ 4.19Å; Y95-F106 AromaticContact CG-CE2 3.84Å; Y95-F106 HydrophobicContact CG-CE2 3.84Å; Y95-F106 HydrophobicContact CG-CZ 4.14Å; V97-F106 HydrophobicContact CG1-CD2 3.75Å; V97-F106 HydrophobicContact CG1-CE2 3.75Å; E101-F106 HydrophobicContact CG-CB 4.15Å; E101-F106 PolarHBondContact OE1-N 2.94Å; T102-F106 PolarHBondContact O-N 3.26Å; V103-F106 PolarHBondContact O-N 2.98Å; F106-K108 VanDerWaalsContact C-N 3.32Å; F106-K108 PolarHBondContact O-N 2.96Å; F106-R109 WeakPolarHBondContact O-CB 3.32Å; F106-R109 PolarHBondContact O-N 3.19Å; F106-V110 HydrophobicContact CD1-CG2 3.84Å; F106-V110 HydrophobicContact CE1-CG2 3.56Å; F106-V110 HydrophobicContact CG-CG2 4.5Å; F106-V110 HydrophobicContact CZ-CG2 3.98Å; F106-V110 WeakPolarHBondContact O-CG2 3.35Å; F106-V110 PolarHBondContact O-N 3.27Å; F106-L123 HydrophobicContact CD1-CD1 3.68Å; F106-L123 HydrophobicContact CE1-CD1 4.18Å; F106-L135 HydrophobicContact CB-CD1 4.15Å; F106-L135 HydrophobicContact CB-CD2 4.17Å; F106-L135 HydrophobicContact CB-CG 4.49Å; F106-L135 HydrophobicContact CD1-CD2 4.45Å; F106-L135 HydrophobicContact CD2-CD1 3.99Å; F106-L135 HydrophobicContact CG-CD1 4.06Å; F106-L135 HydrophobicContact CG-CD2 4.32Å; F106-I146 HydrophobicContact CE1-CD1 3.81Å; F106-I146 HydrophobicContact CZ-CD1 3.87Å |
| 107 | R | 97.4 | Very high | 94.9 | Very high | 29 Ų | 29 | 57.2 Ų | 57.2 | 11% | 0.109 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -55.2 | -44.1 | 175.5 | -75.2 | 169.4 | -177.7 | -89.2 | 1.3 | 112.8 | V103 E104 G105 R109 V110 E111 A118 Q121 L123 M130 | V103-R107 VanDerWaalsContact O-CG 3.27Å; V103-R107 WeakPolarHBondContact O-CG 3.48Å; V103-R107 PolarHBondContact O-N 3.03Å; E104-R107 PolarHBondContact O-N 3.42Å; G105-R107 PolarHBondContact O-N 2.68Å; R107-R109 VanDerWaalsContact C-N 3.28Å; R107-R109 PolarHBondContact O-N 3.24Å; R107-V110 PolarHBondContact O-N 3.28Å; R107-E111 WeakPolarHBondContact O-CB 3.18Å; R107-E111 PolarHBondContact O-N 3.12Å; R107-A118 HydrophobicContact CB-CB 4.12Å; R107-A118 PolarHBondContact NH1-O 3.29Å; R107-Q121 VanDerWaalsContact CA-OE1 3.25Å; R107-Q121 PolarHBondContact NH1-O 3.09Å; R107-Q121 PolarHBondContact O-NE2 2.94Å; R107-Q121 PolarHBondContact O-OE1 2.74Å; R107-L123 HydrophobicContact CG-CD1 3.46Å; R107-L123 VanDerWaalsContact CG-CD1 3.46Å; R107-L123 HydrophobicContact CG-CG 4.27Å; R107-M130 PolarHBondContact NH2-O 3.2Å |
| 108 | K | 97.1 | Very high | 94.8 | Very high | 104 Ų | 104 | 58.5 Ų | 58.5 | 45% | 0.452 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.2 | -35.4 | 176.9 | -74.9 | 169.7 | 170.1 | 163.6 | 0 | 112.1 | E104 G105 F106 K112 | E104-K108 PolarHBondContact O-N 3.18Å; E104-K108 VanDerWaalsContact O-N 3.14Å; E104-K108 WeakPolarHBondContact OE1-CE 3.34Å; E104-K108 IonicContact OE1-NZ 3.54Å; E104-K108 PolarHBondContact OE1-NZ 2.86Å; G105-K108 PolarHBondContact O-N 3.47Å; F106-K108 VanDerWaalsContact C-N 3.32Å; F106-K108 PolarHBondContact O-N 2.96Å; K108-K112 WeakPolarHBondContact O-CG 3.21Å; K108-K112 PolarHBondContact O-N 3.38Å |
| 109 | R | 96.9 | Very high | 94.8 | Very high | 70 Ų | 70 | 63 Ų | 63 | 26% | 0.264 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -73.1 | -39 | 175.1 | -57.9 | -175.4 | -29.9 | -180 | 22.4 | 111.8 | Y95 D96 V97 E101 G105 F106 R107 E111 K112 R113 | Y95-R109 HydrophobicContact CE1-CB 4.45Å; D96-R109 VanDerWaalsContact O-CZ 3.23Å; D96-R109 PolarHBondContact O-NH1 3.08Å; D96-R109 PolarHBondContact O-NH2 2.72Å; V97-R109 VanDerWaalsContact CG1-NH2 3.34Å; E101-R109 IonicContact OE1-NE 3.75Å; E101-R109 IonicContact OE1-NH1 3.71Å; E101-R109 IonicContact OE2-CZ 3.74Å; E101-R109 IonicContact OE2-NH1 3.98Å; E101-R109 PolarHBondContact OE2-NH1 2.96Å; E101-R109 VanDerWaalsContact OE2-NH1 3.08Å; G105-R109 WeakPolarHBondContact O-CG 3.48Å; G105-R109 PolarHBondContact O-N 2.71Å; F106-R109 WeakPolarHBondContact O-CB 3.32Å; F106-R109 PolarHBondContact O-N 3.19Å; R107-R109 VanDerWaalsContact C-N 3.28Å; R107-R109 PolarHBondContact O-N 3.24Å; R109-E111 VanDerWaalsContact C-N 3.32Å; R109-K112 PolarHBondContact O-N 2.87Å; R109-R113 PolarHBondContact O-N 2.93Å |
| 110 | V | 96.5 | Very high | 95 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60.9 | -43.9 | 173 | 174 | 0 | 0 | 0 | 0 | 110.2 | L85 Y95 F106 R107 K112 R113 E114 L148 | L85-V110 HydrophobicContact CD2-CG1 3.83Å; L85-V110 HydrophobicContact CD2-CG2 3.9Å; Y95-V110 HydrophobicContact CE1-CG2 4.35Å; F106-V110 HydrophobicContact CD1-CG2 3.84Å; F106-V110 HydrophobicContact CE1-CG2 3.56Å; F106-V110 HydrophobicContact CG-CG2 4.5Å; F106-V110 HydrophobicContact CZ-CG2 3.98Å; F106-V110 WeakPolarHBondContact O-CG2 3.35Å; F106-V110 PolarHBondContact O-N 3.27Å; R107-V110 PolarHBondContact O-N 3.28Å; V110-K112 PolarHBondContact O-N 3.02Å; V110-R113 PolarHBondContact O-N 3.03Å; V110-R113 VanDerWaalsContact O-N 3.15Å; V110-E114 HydrophobicContact CG1-CB 4.28Å; V110-E114 HydrophobicContact CG1-CG 3.93Å; V110-E114 WeakPolarHBondContact O-CB 3.47Å; V110-E114 PolarHBondContact O-N 3.12Å; V110-L148 HydrophobicContact CG1-CD2 3.84Å |
| 111 | E | 96.3 | Very high | 95.3 | Very high | 74 Ų | 74 | 58 Ų | 58 | 35% | 0.346 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -58.2 | -47.6 | 176.9 | 176.7 | 170.7 | -163.7 | 0 | 0 | 111.7 | R107 R109 R113 G115 V116 P117 A118 Q121 | R107-E111 WeakPolarHBondContact O-CB 3.18Å; R107-E111 PolarHBondContact O-N 3.12Å; R109-E111 VanDerWaalsContact C-N 3.32Å; E111-R113 VanDerWaalsContact C-N 3.25Å; E111-R113 PolarHBondContact O-N 3.38Å; E111-G115 VanDerWaalsContact O-CA 3.23Å; E111-G115 WeakPolarHBondContact O-CA 3.41Å; E111-G115 PolarHBondContact O-N 3.26Å; E111-V116 VanDerWaalsContact CA-O 3.25Å; E111-V116 WeakPolarHBondContact CA-O 3.39Å; E111-V116 VanDerWaalsContact CB-O 3.29Å; E111-V116 WeakPolarHBondContact CB-O 3.37Å; E111-V116 WeakPolarHBondContact CG-O 3.49Å; E111-P117 WeakPolarHBondContact OE1-CA 3.47Å; E111-A118 WeakPolarHBondContact OE2-CB 3.49Å; E111-A118 PolarHBondContact OE2-N 3.04Å; E111-Q121 VanDerWaalsContact N-NE2 3.15Å |
| 112 | K | 95.8 | Very high | 95.4 | Very high | 189 Ų | 189 | 60.7 Ų | 60.7 | 82% | 0.822 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -61.7 | -30.8 | 178.2 | -73.3 | 176.3 | -178.1 | -174.4 | 0 | 113.8 | K108 R109 V110 | K108-K112 WeakPolarHBondContact O-CG 3.21Å; K108-K112 PolarHBondContact O-N 3.38Å; R109-K112 PolarHBondContact O-N 2.87Å; V110-K112 PolarHBondContact O-N 3.02Å |
| 113 | R | 94.8 | Very high | 95.4 | Very high | 137 Ų | 137 | 57.7 Ų | 57.7 | 52% | 0.517 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -97 | -43.6 | -174.1 | -169.4 | -179.5 | -173.9 | 174 | -0.6 | 113.3 | T94 Y95 R109 V110 E111 | T94-R113 PolarHBondContact O-NH1 3.01Å; Y95-R113 WeakPolarHBondContact OH-CD 3.35Å; R109-R113 PolarHBondContact O-N 2.93Å; V110-R113 PolarHBondContact O-N 3.03Å; V110-R113 VanDerWaalsContact O-N 3.15Å; E111-R113 VanDerWaalsContact C-N 3.25Å; E111-R113 PolarHBondContact O-N 3.38Å |
| 114 | E | 92.6 | Very high | 95.4 | Very high | 49 Ų | 49 | 59.4 Ų | 59.4 | 23% | 0.229 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -93.5 | -12.5 | -176.5 | -57.4 | -66.4 | 141.2 | 0 | 0 | 112.1 | L85 N87 S93 V110 V116 L148 | L85-E114 HydrophobicContact CD2-CG 4.05Å; N87-E114 PolarHBondContact ND2-OE2 3.49Å; S93-E114 PolarHBondContact OG-OE1 3.44Å; V110-E114 HydrophobicContact CG1-CB 4.28Å; V110-E114 HydrophobicContact CG1-CG 3.93Å; V110-E114 WeakPolarHBondContact O-CB 3.47Å; V110-E114 PolarHBondContact O-N 3.12Å; E114-V116 VanDerWaalsContact C-N 3.26Å; E114-V116 HydrophobicContact CB-CG2 4.4Å; E114-V116 PolarHBondContact O-N 3.23Å; E114-L148 HydrophobicContact CB-CD2 4.39Å; E114-L148 HydrophobicContact CG-CD2 4.31Å |
| 115 | G | 92.7 | Very high | 95.4 | Very high | 62 Ų | 62 | 54.1 Ų | 54.1 | 64% | 0.639 | 27% | 0.272 | S | S | * | . | trans | 75.2 | 10.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | E111 | E111-G115 VanDerWaalsContact O-CA 3.23Å; E111-G115 WeakPolarHBondContact O-CA 3.41Å; E111-G115 PolarHBondContact O-N 3.26Å | ||
| 116 | V | 92 | Very high | 95.4 | Very high | 25 Ų | 25 | 59.7 Ų | 59.7 | 15% | 0.152 | 29% | 0.292 | C | S | . | . | trans | -94.6 | 120.1 | -179.4 | 178.6 | 0 | 0 | 0 | 0 | 110 | E111 E114 A118 Q120 Q121 L148 L150 | E111-V116 VanDerWaalsContact CA-O 3.25Å; E111-V116 WeakPolarHBondContact CA-O 3.39Å; E111-V116 VanDerWaalsContact CB-O 3.29Å; E111-V116 WeakPolarHBondContact CB-O 3.37Å; E111-V116 WeakPolarHBondContact CG-O 3.49Å; E114-V116 VanDerWaalsContact C-N 3.26Å; E114-V116 HydrophobicContact CB-CG2 4.4Å; E114-V116 PolarHBondContact O-N 3.23Å; V116-A118 PolarHBondContact O-N 3.25Å; V116-Q120 HydrophobicContact CG1-CB 4.15Å; V116-Q121 HydrophobicContact CB-CG 4.17Å; V116-Q121 HydrophobicContact CG1-CG 3.63Å; V116-Q121 PolarHBondContact O-NE2 2.81Å; V116-L148 HydrophobicContact CG2-CD2 4.46Å; V116-L150 HydrophobicContact CB-CD2 4.23Å; V116-L150 HydrophobicContact CG1-CD2 3.21Å; V116-L150 HydrophobicContact CG2-CD2 3.95Å | ||
| 117 | P | 94.1 | Very high | 95.3 | Very high | 43 Ų | 43 | 63.4 Ų | 63.4 | 28% | 0.279 | 33% | 0.33 | S | S | . | . | trans | -53 | 136.2 | 177.6 | -28.6 | 36.4 | 0 | 0 | 0 | 113 | E111 N119 Q120 Q121 | E111-P117 WeakPolarHBondContact OE1-CA 3.47Å; P117-N119 VanDerWaalsContact CB-OD1 3.23Å; P117-N119 WeakPolarHBondContact CB-OD1 3.48Å; P117-N119 PolarHBondContact O-N 3.35Å; P117-Q120 HydrophobicContact CB-CB 4.4Å; P117-Q120 HydrophobicContact CB-CG 4.23Å; P117-Q120 WeakPolarHBondContact O-CA 3.23Å; P117-Q120 WeakPolarHBondContact O-CB 3.38Å; P117-Q120 PolarHBondContact O-N 2.97Å; P117-Q121 PolarHBondContact O-N 3.28Å | ||
| 118 | A | 93.3 | Very high | 95.2 | Very high | 26 Ų | 26 | 68.9 Ų | 68.9 | 22% | 0.215 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -32 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | R107 E111 V116 Q120 Q121 | R107-A118 HydrophobicContact CB-CB 4.12Å; R107-A118 PolarHBondContact NH1-O 3.29Å; E111-A118 WeakPolarHBondContact OE2-CB 3.49Å; E111-A118 PolarHBondContact OE2-N 3.04Å; V116-A118 PolarHBondContact O-N 3.25Å; A118-Q120 VanDerWaalsContact C-N 3.32Å; A118-Q121 PolarHBondContact O-N 3.26Å |
| 119 | N | 91.3 | Very high | 95.2 | Very high | 128 Ų | 128 | 65.9 Ų | 65.9 | 68% | 0.684 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -20.2 | 176 | 65.5 | -20.8 | 0 | 0 | 0 | 113.7 | P117 H151 | P117-N119 VanDerWaalsContact CB-OD1 3.23Å; P117-N119 WeakPolarHBondContact CB-OD1 3.48Å; P117-N119 PolarHBondContact O-N 3.35Å; N119-H151 PolarHBondContact O-ND1 3.03Å |
| 120 | Q | 93.6 | Very high | 95.2 | Very high | 52 Ų | 52 | 62.5 Ų | 62.5 | 24% | 0.243 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -15.1 | 174.7 | -66.9 | 177.2 | 10.3 | 0 | 0 | 111.9 | V116 P117 A118 L150 H151 | V116-Q120 HydrophobicContact CG1-CB 4.15Å; P117-Q120 HydrophobicContact CB-CB 4.4Å; P117-Q120 HydrophobicContact CB-CG 4.23Å; P117-Q120 WeakPolarHBondContact O-CA 3.23Å; P117-Q120 WeakPolarHBondContact O-CB 3.38Å; P117-Q120 PolarHBondContact O-N 2.97Å; A118-Q120 VanDerWaalsContact C-N 3.32Å; Q120-L150 CarbonylContact O-C 3.59Å; Q120-L150 WeakPolarHBondContact O-CA 3.33Å; Q120-H151 PolarHBondContact O-N 2.85Å; Q120-H151 PolarHBondContact O-ND1 3.31Å |
| 121 | Q | 95.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 137.8 | 179.7 | -61.3 | 173.2 | 19.6 | 0 | 0 | 112 | R107 E111 V116 P117 A118 L148 H151 | R107-Q121 VanDerWaalsContact CA-OE1 3.25Å; R107-Q121 PolarHBondContact NH1-O 3.09Å; R107-Q121 PolarHBondContact O-NE2 2.94Å; R107-Q121 PolarHBondContact O-OE1 2.74Å; E111-Q121 VanDerWaalsContact N-NE2 3.15Å; V116-Q121 HydrophobicContact CB-CG 4.17Å; V116-Q121 HydrophobicContact CG1-CG 3.63Å; V116-Q121 PolarHBondContact O-NE2 2.81Å; P117-Q121 PolarHBondContact O-N 3.28Å; A118-Q121 PolarHBondContact O-N 3.26Å; Q121-L148 HydrophobicContact CB-CD1 3.72Å; Q121-L148 HydrophobicContact CG-CD1 3.79Å; Q121-H151 PolarHBondContact O-CE1 2.86Å; Q121-H151 PolarHBondContact O-ND1 3.3Å |
| 122 | R | 96.2 | Very high | 95.1 | Very high | 85 Ų | 85 | 69.3 Ų | 69.3 | 32% | 0.321 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 111.2 | 159.5 | -74.5 | -175.5 | 124.5 | -118.1 | -3 | 107.9 | E129 L148 T149 H151 | R122-E129 IonicContact CZ-OE1 3.73Å; R122-E129 IonicContact CZ-OE2 2.68Å; R122-E129 IonicContact NE-OE1 2.67Å; R122-E129 IonicContact NE-OE2 3.08Å; R122-E129 IonicContact NH1-OE2 3.6Å; R122-E129 IonicContact NH2-OE1 3.96Å; R122-E129 IonicContact NH2-OE2 4Å; R122-E129 PolarHBondContact NH2-OE2 3.45Å; R122-L148 WeakPolarHBondContact O-CA 3.38Å; R122-T149 WeakPolarHBondContact CB-O 3.33Å; R122-T149 VanDerWaalsContact CB-OG1 3.29Å; R122-T149 WeakPolarHBondContact CB-OG1 3.35Å; R122-T149 PolarHBondContact N-O 2.86Å; R122-T149 PolarHBondContact O-N 2.79Å; R122-H151 WeakPolarHBondContact CG-CE1 3.44Å; R122-H151 VanDerWaalsContact CG-NE2 3.32Å; R122-H151 WeakPolarHBondContact CG-NE2 3.26Å; R122-H151 PolarHBondContact NE-NE2 3.07Å |
| 123 | L | 97.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 125 | 176.5 | -58.5 | 177.5 | 0 | 0 | 0 | 108.8 | L85 F106 R107 E129 M130 I146 Y147 L148 | L85-L123 HydrophobicContact CD1-CD2 4.08Å; F106-L123 HydrophobicContact CD1-CD1 3.68Å; F106-L123 HydrophobicContact CE1-CD1 4.18Å; R107-L123 HydrophobicContact CG-CD1 3.46Å; R107-L123 VanDerWaalsContact CG-CD1 3.46Å; R107-L123 HydrophobicContact CG-CG 4.27Å; L123-E129 WeakPolarHBondContact O-CA 3.45Å; L123-M130 HydrophobicContact CB-CB 4.46Å; L123-M130 HydrophobicContact CB-CE 3.62Å; L123-M130 HydrophobicContact CD1-CE 4.41Å; L123-M130 PolarHBondContact O-N 2.84Å; L123-I146 HydrophobicContact CB-CG2 4.07Å; L123-I146 HydrophobicContact CD2-CG2 4.24Å; L123-Y147 CarbonylContact C-O 3.54Å; L123-Y147 WeakPolarHBondContact CA-O 3.44Å; L123-L148 HydrophobicContact CD2-CB 4.29Å; L123-L148 HydrophobicContact CD2-CD1 3.88Å |
| 124 | I | 97.8 | Very high | 95.2 | Very high | 36 Ų | 36 | 59.3 Ų | 59.3 | 19% | 0.185 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 129.9 | -174.2 | -58.2 | 167.8 | 0 | 0 | 0 | 109 | R128 I146 Y147 | I124-R128 WeakPolarHBondContact CA-O 3.32Å; I124-I146 WeakPolarHBondContact O-CA 3.32Å; I124-Y147 PolarHBondContact N-O 3.5Å; I124-Y147 PolarHBondContact O-N 3.41Å |
| 125 | H | 98.3 | Very high | 95.5 | Very high | 7 Ų | 7 | 57.1 Ų | 57.1 | 3% | 0.032 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 133.3 | 172.8 | -178.2 | -104.1 | 0 | 0 | 0 | 108.8 | G127 R128 M130 Y138 N139 V140 S144 T145 I146 | H125-G127 PolarHBondContact O-N 2.9Å; H125-G127 VanDerWaalsContact O-N 3.12Å; H125-R128 PolarHBondContact N-O 3.47Å; H125-R128 PolarHBondContact O-N 2.89Å; H125-M130 HydrophobicContact CB-CE 4.39Å; H125-M130 HydrophobicContact CB-CG 4.47Å; H125-M130 HydrophobicContact CB-SD 4.03Å; H125-Y138 PolarHBondContact ND1-O 3Å; H125-N139 PolarHBondContact CE1-O 2.9Å; H125-N139 VanDerWaalsContact CE1-O 3.25Å; H125-V140 HydrophobicContact CB-CG2 4.09Å; H125-S144 VanDerWaalsContact NE2-CB 3.34Å; H125-S144 WeakPolarHBondContact NE2-CB 3.4Å; H125-S144 PolarHBondContact NE2-OG 2.89Å; H125-T145 PolarHBondContact CD2-O 3.46Å; H125-I146 HydrophobicContact CB-CG1 4.5Å |
| 126 | E | 96.5 | Very high | 95.6 | Very high | 137 Ų | 137 | 56.9 Ų | 56.9 | 64% | 0.64 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.9 | 38.2 | -178.4 | -67 | -180 | 159.7 | 0 | 0 | 113.7 | R128 N139 | E126-R128 PolarHBondContact O-N 3.03Å; E126-N139 PolarHBondContact OE1-ND2 3.37Å; E126-N139 PolarHBondContact OE2-ND2 3.28Å |
| 127 | G | 94.6 | Very high | 95.8 | Very high | 78 Ų | 78 | 60.2 Ų | 60.2 | 80% | 0.804 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.9 | -0.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | H125 | H125-G127 PolarHBondContact O-N 2.9Å; H125-G127 VanDerWaalsContact O-N 3.12Å |
| 128 | R | 96.6 | Very high | 96 | Very high | 145 Ų | 145 | 59.2 Ų | 59.2 | 55% | 0.547 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 129.4 | 177.4 | -173.2 | 173.2 | 177.3 | -159.1 | -1.4 | 111.1 | I124 H125 E126 D137 Y138 | I124-R128 WeakPolarHBondContact CA-O 3.32Å; H125-R128 PolarHBondContact N-O 3.47Å; H125-R128 PolarHBondContact O-N 2.89Å; E126-R128 PolarHBondContact O-N 3.03Å; R128-D137 PolarHBondContact NH1-O 3.35Å; R128-Y138 HydrophobicContact CG-CD1 3.94Å; R128-Y138 HydrophobicContact CG-CE1 4.21Å |
| 129 | E | 96.4 | Very high | 96.2 | Very high | 40 Ų | 40 | 60.7 Ų | 60.7 | 19% | 0.187 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 129.8 | 170.9 | -174.8 | 178.1 | -177.1 | 0 | 0 | 110.7 | R122 L123 Q131 Y138 H151 | R122-E129 IonicContact CZ-OE1 3.73Å; R122-E129 IonicContact CZ-OE2 2.68Å; R122-E129 IonicContact NE-OE1 2.67Å; R122-E129 IonicContact NE-OE2 3.08Å; R122-E129 IonicContact NH1-OE2 3.6Å; R122-E129 IonicContact NH2-OE1 3.96Å; R122-E129 IonicContact NH2-OE2 4Å; R122-E129 PolarHBondContact NH2-OE2 3.45Å; L123-E129 WeakPolarHBondContact O-CA 3.45Å; E129-Q131 HydrophobicContact CG-CG 4.21Å; E129-Y138 WeakPolarHBondContact O-CE1 3.42Å; E129-H151 IonicContact OE1-NE2 3.12Å |
| 130 | M | 97 | Very high | 96.5 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 30% | 0.296 | C | S | . | . | trans | -90.5 | 105.4 | 178.5 | -54.3 | -169.4 | -73.3 | 0 | 0 | 110 | V103 R107 L123 H125 L135 Y138 V140 I146 | V103-M130 HydrophobicContact CG1-CB 4.05Å; V103-M130 VanDerWaalsContact CG1-O 3.31Å; V103-M130 WeakPolarHBondContact CG1-O 3.36Å; V103-M130 HydrophobicContact CG2-CB 3.97Å; R107-M130 PolarHBondContact NH2-O 3.2Å; L123-M130 HydrophobicContact CB-CB 4.46Å; L123-M130 HydrophobicContact CB-CE 3.62Å; L123-M130 HydrophobicContact CD1-CE 4.41Å; L123-M130 PolarHBondContact O-N 2.84Å; H125-M130 HydrophobicContact CB-CE 4.39Å; H125-M130 HydrophobicContact CB-CG 4.47Å; H125-M130 HydrophobicContact CB-SD 4.03Å; M130-L135 HydrophobicContact CE-CD2 4.16Å; M130-L135 HydrophobicContact SD-CD2 4.01Å; M130-Y138 HydrophobicContact CB-CD1 4.14Å; M130-Y138 HydrophobicContact CB-CD2 4.06Å; M130-Y138 HydrophobicContact CB-CE1 4.13Å; M130-Y138 HydrophobicContact CB-CE2 4.07Å; M130-Y138 HydrophobicContact CB-CG 4.1Å; M130-Y138 HydrophobicContact CG-CD1 3.66Å; M130-Y138 HydrophobicContact CG-CD2 3.86Å; M130-Y138 HydrophobicContact CG-CE1 4.16Å; M130-Y138 HydrophobicContact CG-CE2 4.35Å; M130-Y138 HydrophobicContact CG-CG 3.5Å; M130-Y138 VanDerWaalsContact CG-CG 3.5Å; M130-Y138 HydrophobicContact SD-CD2 4.11Å; M130-Y138 HydrophobicContact SD-CG 3.96Å; M130-V140 HydrophobicContact SD-CG2 3.73Å; M130-I146 HydrophobicContact CE-CB 4.33Å; M130-I146 HydrophobicContact CE-CD1 3.92Å; M130-I146 HydrophobicContact CE-CG1 3.88Å; M130-I146 HydrophobicContact CE-CG2 3.48Å; M130-I146 VanDerWaalsContact CE-CG2 3.48Å | ||
| 131 | Q | 94.2 | Very high | 96.6 | Very high | 134 Ų | 134 | 59.9 Ų | 59.9 | 63% | 0.626 | 31% | 0.313 | S | S | * | . | trans | -97.8 | -47.3 | -174.3 | -66.1 | -178.2 | -17.8 | 0 | 0 | 112.7 | E129 Y138 | E129-Q131 HydrophobicContact CG-CG 4.21Å; Q131-Y138 PolarHBondContact N-OH 2.96Å; Q131-Y138 VanDerWaalsContact N-OH 3.16Å | ||
| 132 | S | 96.2 | Very high | 96.6 | Very high | 83 Ų | 83 | 65.9 Ų | 65.9 | 58% | 0.58 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -151.8 | 174.7 | -176.3 | 65.1 | 0 | 0 | 0 | 0 | 110.9 | Y138 | S132-Y138 PolarHBondContact N-OH 2.95Å; S132-Y138 WeakPolarHBondContact O-CE2 3.18Å; S132-Y138 PolarHBondContact O-OH 2.91Å |
| 133 | G | 96.1 | Very high | 96.7 | Very high | 36 Ų | 36 | 66.7 Ų | 66.7 | 37% | 0.371 | 35% | 0.349 | S | S | . | . | S | Bend | trans | 87.7 | -160 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | T102 V103 | T102-G133 CarbonylContact C-O 3.57Å; T102-G133 VanDerWaalsContact CA-O 3.31Å; T102-G133 WeakPolarHBondContact CA-O 3.44Å; V103-G133 PolarHBondContact N-O 2.83Å |
| 134 | K | 97.1 | Very high | 96.7 | Very high | 80 Ų | 80 | 67.6 Ų | 67.6 | 35% | 0.348 | 36% | 0.355 | S | S | . | . | B | Isolated β-bridge | trans | -89 | 154.3 | 176.4 | -64 | -179.2 | 179.7 | -174.6 | 0 | 110.8 | D100 E101 S136 D137 Y138 | D100-K134 IonicContact OD1-NZ 2.64Å; D100-K134 PolarHBondContact OD1-NZ 3.36Å; E101-K134 CarbonylContact O-C 3.6Å; E101-K134 WeakPolarHBondContact O-CA 3.36Å; K134-S136 WeakPolarHBondContact CB-OG 3.44Å; K134-S136 PolarHBondContact O-N 2.89Å; K134-D137 PolarHBondContact N-OD2 3.25Å; K134-D137 WeakPolarHBondContact O-CB 3.19Å; K134-D137 PolarHBondContact O-N 3.12Å; K134-D137 VanDerWaalsContact O-N 3.12Å; K134-Y138 WeakPolarHBondContact O-CD2 3.1Å |
| 135 | L | 97.5 | Very high | 96.7 | Very high | 2 Ų | 2 | 68 Ų | 68 | 1% | 0.01 | 36% | 0.359 | C | S | . | . | G | 310 helix | trans | -58.8 | -35.2 | 172 | -65.8 | -177.3 | 0 | 0 | 0 | 111.6 | V97 E101 V103 F106 M130 D137 Y138 V140 | V97-L135 HydrophobicContact CB-CD1 4.24Å; V97-L135 HydrophobicContact CG1-CD1 3.82Å; E101-L135 HydrophobicContact CB-CD1 3.96Å; E101-L135 HydrophobicContact CB-CG 4.34Å; E101-L135 HydrophobicContact CG-CD1 3.71Å; E101-L135 HydrophobicContact CG-CG 4.25Å; E101-L135 PolarHBondContact O-N 2.88Å; V103-L135 HydrophobicContact CG2-CD2 4.14Å; F106-L135 HydrophobicContact CB-CD1 4.15Å; F106-L135 HydrophobicContact CB-CD2 4.17Å; F106-L135 HydrophobicContact CB-CG 4.49Å; F106-L135 HydrophobicContact CD1-CD2 4.45Å; F106-L135 HydrophobicContact CD2-CD1 3.99Å; F106-L135 HydrophobicContact CG-CD1 4.06Å; F106-L135 HydrophobicContact CG-CD2 4.32Å; M130-L135 HydrophobicContact CE-CD2 4.16Å; M130-L135 HydrophobicContact SD-CD2 4.01Å; L135-D137 VanDerWaalsContact C-N 3.26Å; L135-D137 PolarHBondContact O-N 2.79Å; L135-Y138 PolarHBondContact O-N 3.48Å; L135-V140 HydrophobicContact CB-CB 3.95Å; L135-V140 HydrophobicContact CB-CG1 4.24Å; L135-V140 HydrophobicContact CB-CG2 4.23Å; L135-V140 WeakPolarHBondContact O-CB 3.32Å; L135-V140 WeakPolarHBondContact O-CG2 3.29Å; L135-V140 PolarHBondContact O-N 2.81Å |
| 136 | S | 95.4 | Very high | 96.7 | Very high | 58 Ų | 58 | 67.7 Ų | 67.7 | 41% | 0.406 | 36% | 0.357 | S | S | . | . | G | 310 helix | trans | -63.6 | -26.5 | 176.8 | 44.5 | 0 | 0 | 0 | 0 | 113.8 | P99 K134 Y138 N139 | P99-S136 PolarHBondContact O-OG 2.8Å; K134-S136 WeakPolarHBondContact CB-OG 3.44Å; K134-S136 PolarHBondContact O-N 2.89Å; S136-Y138 PolarHBondContact O-N 2.88Å; S136-N139 PolarHBondContact O-N 2.78Å |
| 137 | D | 96.9 | Very high | 96.8 | Very high | 95 Ų | 95 | 66.8 Ų | 66.8 | 51% | 0.508 | 35% | 0.349 | S | S | . | . | G | 310 helix | trans | -65.5 | -17 | 174.3 | -57.8 | -29.4 | 0 | 0 | 0 | 112.4 | R128 K134 L135 | R128-D137 PolarHBondContact NH1-O 3.35Å; K134-D137 PolarHBondContact N-OD2 3.25Å; K134-D137 WeakPolarHBondContact O-CB 3.19Å; K134-D137 PolarHBondContact O-N 3.12Å; K134-D137 VanDerWaalsContact O-N 3.12Å; L135-D137 VanDerWaalsContact C-N 3.26Å; L135-D137 PolarHBondContact O-N 2.79Å |
| 138 | Y | 97.9 | Very high | 97 | Very high | 22 Ų | 22 | 63.3 Ų | 63.3 | 9% | 0.086 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -108.3 | 18.6 | 175.4 | -57.9 | -92.5 | 0 | 0 | 0 | 112.4 | V103 H125 R128 E129 M130 Q131 S132 K134 L135 S136 V140 | V103-Y138 HydrophobicContact CG2-CD2 4.1Å; V103-Y138 HydrophobicContact CG2-CE2 3.67Å; H125-Y138 PolarHBondContact ND1-O 3Å; R128-Y138 HydrophobicContact CG-CD1 3.94Å; R128-Y138 HydrophobicContact CG-CE1 4.21Å; E129-Y138 WeakPolarHBondContact O-CE1 3.42Å; M130-Y138 HydrophobicContact CB-CD1 4.14Å; M130-Y138 HydrophobicContact CB-CD2 4.06Å; M130-Y138 HydrophobicContact CB-CE1 4.13Å; M130-Y138 HydrophobicContact CB-CE2 4.07Å; M130-Y138 HydrophobicContact CB-CG 4.1Å; M130-Y138 HydrophobicContact CG-CD1 3.66Å; M130-Y138 HydrophobicContact CG-CD2 3.86Å; M130-Y138 HydrophobicContact CG-CE1 4.16Å; M130-Y138 HydrophobicContact CG-CE2 4.35Å; M130-Y138 HydrophobicContact CG-CG 3.5Å; M130-Y138 VanDerWaalsContact CG-CG 3.5Å; M130-Y138 HydrophobicContact SD-CD2 4.11Å; M130-Y138 HydrophobicContact SD-CG 3.96Å; Q131-Y138 PolarHBondContact N-OH 2.96Å; Q131-Y138 VanDerWaalsContact N-OH 3.16Å; S132-Y138 PolarHBondContact N-OH 2.95Å; S132-Y138 WeakPolarHBondContact O-CE2 3.18Å; S132-Y138 PolarHBondContact O-OH 2.91Å; K134-Y138 WeakPolarHBondContact O-CD2 3.1Å; L135-Y138 PolarHBondContact O-N 3.48Å; S136-Y138 PolarHBondContact O-N 2.88Å; Y138-V140 PolarHBondContact O-N 3.44Å |
| 139 | N | 96.6 | Very high | 96.8 | Very high | 56 Ų | 56 | 58.5 Ų | 58.5 | 30% | 0.299 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.2 | 23 | 178.2 | -163.5 | 42.3 | 0 | 0 | 0 | 114.1 | H125 E126 S136 R141 | H125-N139 PolarHBondContact CE1-O 2.9Å; H125-N139 VanDerWaalsContact CE1-O 3.25Å; E126-N139 PolarHBondContact OE1-ND2 3.37Å; E126-N139 PolarHBondContact OE2-ND2 3.28Å; S136-N139 PolarHBondContact O-N 2.78Å; N139-R141 PolarHBondContact O-N 3.19Å; N139-R141 PolarHBondContact OD1-NE 2.92Å; N139-R141 PolarHBondContact OD1-NH2 2.83Å |
| 140 | V | 97.6 | Very high | 96.6 | Very high | 5 Ų | 5 | 59.7 Ų | 59.7 | 3% | 0.03 | 31% | 0.306 | C | S | . | . | trans | -69.4 | 123 | 172.2 | 178.4 | 0 | 0 | 0 | 0 | 108.9 | V83 H125 M130 L135 Y138 I146 | V83-V140 HydrophobicContact CG1-CG1 3.64Å; H125-V140 HydrophobicContact CB-CG2 4.09Å; M130-V140 HydrophobicContact SD-CG2 3.73Å; L135-V140 HydrophobicContact CB-CB 3.95Å; L135-V140 HydrophobicContact CB-CG1 4.24Å; L135-V140 HydrophobicContact CB-CG2 4.23Å; L135-V140 WeakPolarHBondContact O-CB 3.32Å; L135-V140 WeakPolarHBondContact O-CG2 3.29Å; L135-V140 PolarHBondContact O-N 2.81Å; Y138-V140 PolarHBondContact O-N 3.44Å; V140-I146 HydrophobicContact CG1-CD1 4.12Å; V140-I146 HydrophobicContact CG2-CD1 4.34Å; V140-I146 HydrophobicContact CG2-CG1 4.36Å | ||
| 141 | R | 95.9 | Very high | 95.9 | Very high | 159 Ų | 159 | 63.4 Ų | 63.4 | 60% | 0.6 | 32% | 0.324 | S | S | * | . | trans | -129.3 | -179.1 | -177.5 | -63.5 | 176.6 | -169.7 | -173.1 | 1.9 | 110.2 | F81 V83 N139 H143 S144 | F81-R141 WeakPolarHBondContact CE2-O 3.4Å; V83-R141 WeakPolarHBondContact CG1-O 3.28Å; N139-R141 PolarHBondContact O-N 3.19Å; N139-R141 PolarHBondContact OD1-NE 2.92Å; N139-R141 PolarHBondContact OD1-NH2 2.83Å; R141-H143 PolarHBondContact O-N 2.97Å; R141-S144 PolarHBondContact N-OG 2.85Å; R141-S144 VanDerWaalsContact O-CB 3.23Å; R141-S144 WeakPolarHBondContact O-CB 3.35Å; R141-S144 PolarHBondContact O-N 3.13Å; R141-S144 PolarHBondContact O-OG 2.96Å | ||
| 142 | E | 96.6 | Very high | 94.8 | Very high | 126 Ų | 126 | 65.1 Ų | 65.1 | 59% | 0.589 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | 130.6 | 171.5 | -169.6 | 174.9 | -156.2 | 0 | 0 | 111.2 | F81 S144 | F81-E142 HydrophobicContact CB-CB 4.07Å; F81-E142 HydrophobicContact CB-CG 4.09Å; F81-E142 HydrophobicContact CD2-CB 4.21Å; F81-E142 HydrophobicContact CG-CB 4.43Å; E142-S144 PolarHBondContact O-N 2.79Å |
| 143 | H | 97.4 | Very high | 93.4 | Very high | 102 Ų | 102 | 71.2 Ų | 71.2 | 47% | 0.472 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.6 | 13.2 | -177.3 | -51.8 | 132.2 | 0 | 0 | 0 | 115.7 | Q82 F84 R141 | Q82-H143 PolarHBondContact O-N 2.78Å; F84-H143 WeakPolarHBondContact CD2-O 3.44Å; F84-H143 HydrophobicContact CE2-CB 3.84Å; R141-H143 PolarHBondContact O-N 2.97Å |
| 144 | S | 98.3 | Very high | 91.7 | Very high | 18 Ų | 18 | 73.2 Ų | 73.2 | 13% | 0.126 | 37% | 0.367 | C | S | . | . | trans | -59.2 | 146.7 | 169.8 | -83 | 0 | 0 | 0 | 0 | 111.9 | F84 H125 R141 E142 | F84-S144 PolarHBondContact N-O 2.74Å; H125-S144 VanDerWaalsContact NE2-CB 3.34Å; H125-S144 WeakPolarHBondContact NE2-CB 3.4Å; H125-S144 PolarHBondContact NE2-OG 2.89Å; R141-S144 PolarHBondContact N-OG 2.85Å; R141-S144 VanDerWaalsContact O-CB 3.23Å; R141-S144 WeakPolarHBondContact O-CB 3.35Å; R141-S144 PolarHBondContact O-N 3.13Å; R141-S144 PolarHBondContact O-OG 2.96Å; E142-S144 PolarHBondContact O-N 2.79Å | ||
| 145 | T | 98.4 | Very high | 89.2 | Confident | 45 Ų | 45 | 76.6 Ų | 76.6 | 28% | 0.276 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 118 | 173.1 | -55.5 | 0 | 0 | 0 | 0 | 111 | F84 I86 H125 Y147 | F84-T145 HydrophobicContact CB-CG2 4.41Å; F84-T145 WeakPolarHBondContact O-CA 3.4Å; I86-T145 HydrophobicContact CD1-CG2 3.57Å; I86-T145 HydrophobicContact CG1-CG2 3.78Å; H125-T145 PolarHBondContact CD2-O 3.46Å; T145-Y147 HydrophobicContact CG2-CE1 4.46Å; T145-Y147 HydrophobicContact CG2-CE2 4.2Å |
| 146 | I | 98.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 80.4 Ų | 80.4 | 0% | 0 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 133.2 | 173 | -61.3 | 161.8 | 0 | 0 | 0 | 108.1 | V83 F84 L85 I86 F106 L123 I124 H125 M130 V140 | V83-I146 HydrophobicContact CG2-CD1 4.25Å; F84-I146 PolarHBondContact O-N 3.26Å; L85-I146 CarbonylContact C-O 3.57Å; L85-I146 VanDerWaalsContact CA-O 3.26Å; L85-I146 WeakPolarHBondContact CA-O 3.49Å; L85-I146 HydrophobicContact CD1-CB 3.99Å; L85-I146 HydrophobicContact CD1-CG2 3.75Å; I86-I146 PolarHBondContact N-O 3.12Å; F106-I146 HydrophobicContact CE1-CD1 3.81Å; F106-I146 HydrophobicContact CZ-CD1 3.87Å; L123-I146 HydrophobicContact CB-CG2 4.07Å; L123-I146 HydrophobicContact CD2-CG2 4.24Å; I124-I146 WeakPolarHBondContact O-CA 3.32Å; H125-I146 HydrophobicContact CB-CG1 4.5Å; M130-I146 HydrophobicContact CE-CB 4.33Å; M130-I146 HydrophobicContact CE-CD1 3.92Å; M130-I146 HydrophobicContact CE-CG1 3.88Å; M130-I146 HydrophobicContact CE-CG2 3.48Å; M130-I146 VanDerWaalsContact CE-CG2 3.48Å; V140-I146 HydrophobicContact CG1-CD1 4.12Å; V140-I146 HydrophobicContact CG2-CD1 4.34Å; V140-I146 HydrophobicContact CG2-CG1 4.36Å |
| 147 | Y | 98.3 | Very high | 88.4 | Confident | 118 Ų | 118 | 81.5 Ų | 81.5 | 46% | 0.463 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 131.5 | 174 | -64.5 | -87.2 | 0 | 0 | 0 | 110.1 | I86 L123 I124 T145 | I86-Y147 HydrophobicContact CB-CD1 4Å; I86-Y147 HydrophobicContact CB-CE1 4.16Å; I86-Y147 HydrophobicContact CD1-CE1 4.04Å; I86-Y147 HydrophobicContact CG2-CD1 4.28Å; I86-Y147 HydrophobicContact CG2-CE1 4.35Å; I86-Y147 WeakPolarHBondContact O-CA 3.48Å; L123-Y147 CarbonylContact C-O 3.54Å; L123-Y147 WeakPolarHBondContact CA-O 3.44Å; I124-Y147 PolarHBondContact N-O 3.5Å; I124-Y147 PolarHBondContact O-N 3.41Å; T145-Y147 HydrophobicContact CG2-CE1 4.46Å; T145-Y147 HydrophobicContact CG2-CE2 4.2Å |
| 148 | L | 97.2 | Very high | 87.9 | Confident | 5 Ų | 5 | 80.8 Ų | 80.8 | 3% | 0.026 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 117.5 | 171 | 170.2 | 65.1 | 0 | 0 | 0 | 109.4 | L85 I86 N87 E88 V110 E114 V116 Q121 R122 L123 | L85-L148 HydrophobicContact CD1-CB 4.07Å; L85-L148 HydrophobicContact CD2-CB 4.36Å; L85-L148 HydrophobicContact CD2-CD2 4.31Å; L85-L148 HydrophobicContact CG-CB 4.25Å; I86-L148 PolarHBondContact O-N 2.87Å; N87-L148 HydrophobicContact CB-CD2 4.27Å; E88-L148 WeakPolarHBondContact CG-O 3.48Å; E88-L148 PolarHBondContact N-O 2.77Å; V110-L148 HydrophobicContact CG1-CD2 3.84Å; E114-L148 HydrophobicContact CB-CD2 4.39Å; E114-L148 HydrophobicContact CG-CD2 4.31Å; V116-L148 HydrophobicContact CG2-CD2 4.46Å; Q121-L148 HydrophobicContact CB-CD1 3.72Å; Q121-L148 HydrophobicContact CG-CD1 3.79Å; R122-L148 WeakPolarHBondContact O-CA 3.38Å; L123-L148 HydrophobicContact CD2-CB 4.29Å; L123-L148 HydrophobicContact CD2-CD1 3.88Å |
| 149 | T | 93.9 | Very high | 87.3 | Confident | 45 Ų | 45 | 84.2 Ų | 84.2 | 28% | 0.276 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 166.1 | 165.8 | 64.1 | 0 | 0 | 0 | 0 | 110.7 | E88 R122 | E88-T149 WeakPolarHBondContact OE1-CA 3.46Å; R122-T149 WeakPolarHBondContact CB-O 3.33Å; R122-T149 VanDerWaalsContact CB-OG1 3.29Å; R122-T149 WeakPolarHBondContact CB-OG1 3.35Å; R122-T149 PolarHBondContact N-O 2.86Å; R122-T149 PolarHBondContact O-N 2.79Å |
| 150 | L | 91.1 | Very high | 86.8 | Confident | 65 Ų | 65 | 86 Ų | 86 | 34% | 0.34 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 141.8 | -179 | -58.7 | -177.5 | 0 | 0 | 0 | 111.1 | E88 V116 Q120 L152 | E88-L150 PolarHBondContact OE1-N 2.83Å; E88-L150 WeakPolarHBondContact OE2-CD1 3.14Å; E88-L150 WeakPolarHBondContact OE2-CG 3.26Å; V116-L150 HydrophobicContact CB-CD2 4.23Å; V116-L150 HydrophobicContact CG1-CD2 3.21Å; V116-L150 HydrophobicContact CG2-CD2 3.95Å; Q120-L150 CarbonylContact O-C 3.59Å; Q120-L150 WeakPolarHBondContact O-CA 3.33Å; L150-L152 PolarHBondContact O-N 3.13Å |
| 151 | H | 83.6 | Confident | 86 | Confident | 78 Ų | 78 | 91.4 Ų | 91.4 | 36% | 0.361 | 51% | 0.505 | S | S | . | . | P | Polyproline II helix | trans | -65.5 | 127.7 | 160.8 | -70.5 | 99.1 | 0 | 0 | 0 | 108.8 | N119 Q120 Q121 R122 E129 R153 | N119-H151 PolarHBondContact O-ND1 3.03Å; Q120-H151 PolarHBondContact O-N 2.85Å; Q120-H151 PolarHBondContact O-ND1 3.31Å; Q121-H151 PolarHBondContact O-CE1 2.86Å; Q121-H151 PolarHBondContact O-ND1 3.3Å; R122-H151 WeakPolarHBondContact CG-CE1 3.44Å; R122-H151 VanDerWaalsContact CG-NE2 3.32Å; R122-H151 WeakPolarHBondContact CG-NE2 3.26Å; R122-H151 PolarHBondContact NE-NE2 3.07Å; E129-H151 IonicContact OE1-NE2 3.12Å; H151-R153 PolarHBondContact O-N 2.97Å |
| 152 | L | 70.8 | Confident | 85.3 | Confident | 169 Ų | 169 | 86.6 Ų | 86.6 | 89% | 0.885 | 50% | 0.499 | S | S | * | . | P | Polyproline II helix | trans | -62.1 | 133.3 | 171.5 | -64.5 | 174 | 0 | 0 | 0 | 108.8 | L150 G154 | L150-L152 PolarHBondContact O-N 3.13Å; L152-G154 PolarHBondContact O-N 3.45Å; L152-G154 VanDerWaalsContact O-N 3.11Å |
| 153 | R | 67.3 | Low | 84.5 | Confident | 211 Ų | 211 | 83.5 Ų | 83.5 | 80% | 0.796 | 49% | 0.492 | S | S | * | . | trans | -66.8 | 110.4 | 170.9 | -65.2 | -177.8 | -174.4 | 153.4 | 3.7 | 107.5 | H151 G155 | H151-R153 PolarHBondContact O-N 2.97Å; R153-G155 PolarHBondContact O-N 3.2Å | ||
| 154 | G | 59.7 | Low | 83.4 | Confident | 78 Ų | 78 | 82 Ų | 82 | 80% | 0.804 | 49% | 0.493 | S | S | * | . | trans | -67.5 | 113.7 | 156.6 | 0 | 0 | 0 | 0 | 0 | 107 | L152 | L152-G154 PolarHBondContact O-N 3.45Å; L152-G154 VanDerWaalsContact O-N 3.11Å | ||
| 155 | G | 43.9 | Very low | 82 | Confident | 152 Ų | 152 | 87.8 Ų | 87.8 | 100% | 1.567 | 53% | 0.527 | S | S | * | . | trans | -70.3 | 0 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | R153 | R153-G155 PolarHBondContact O-N 3.2Š|
Retrieved 155 of 155 residues in 216.8 ms
(Link to these results)